#DEFINITION	Reference Metabolome for Rhynchosia volubilis
#IDENTTFIER	RefMeta-Rhynchosia volubilis.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Rhynchosia volubilis
#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 Rhynchosia volubilis was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5906
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88445	0.8
69.88850	0.5
71.01390	11.7
71.01785	0.6
72.99309	1.0
73.02965	1.3
75.00883	0.4
78.95892	0.4
79.95746	1.2
81.03452	0.8
83.01380	1.2
83.05032	0.7
84.02180	1.8
85.02955	3.0
87.00884	2.8
87.68909	0.2
89.02457	9.7
95.00837	0.3
95.01400	0.8
95.05019	0.5
96.96022	12.4
97.02961	2.5
97.06602	4.8
99.00891	0.7
99.04529	0.7
101.02452	8.0
101.03114	0.5
105.37481	0.2
109.02941	0.3
111.00872	0.3
113.02470	4.8
116.92874	0.5
119.03525	2.2
125.02464	3.5
125.09716	0.9
127.11268	0.3
131.03551	0.6
133.87695	0.2
137.09702	0.4
139.04034	0.5
141.02020	0.3
143.03503	1.6
149.04601	0.3
151.11336	0.5
153.09189	0.3
161.04582	1.7
165.12831	0.6
165.58531	0.2
171.10287	7.0
175.11331	0.6
177.12849	0.4
179.05608	2.4
183.13905	1.4
185.11899	0.6
193.12344	8.2
197.15506	0.5
199.06190	0.3
205.11943	0.2
211.13425	3.4
217.07077	0.4
221.06709	1.2
221.11911	0.5
225.14983	12.1
226.15295	0.4
235.08249	3.6
243.16028	5.4
253.09344	0.8
253.14537	0.8
263.07660	0.4
273.18567	0.4
277.21744	27.8
278.22147	1.6
287.07733	1.0
291.19736	1.4
291.22647	0.3
305.08749	1.3
305.21191	0.5
323.09882	0.8
323.22278	1.4
341.23343	100.0
342.23648	5.0
365.23270	0.6
379.12482	1.1
383.24609	0.4
397.13525	29.6
398.13708	1.3
415.14615	10.2
601.44806	2.6
602.44812	0.4
675.35791	1.4
721.36835	2.2
722.36780	0.3
739.37708	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	998.5711
Annotation	Unknow
Peak:m/z	Relative Intensity
70.32435	67.3
71.54185	100.0
71.54545	80.3
87.02477	63.9
112.88840	66.6
154.14728	63.6
158.02258	64.6
158.70572	66.6
184.45827	78.4
200.46924	76.2
292.99503	84.3
564.60846	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66447	0.2
70.92098	0.4
91.01905	21.6
92.02238	0.5
96.96016	0.8
109.02940	0.4
121.02946	0.5
132.05826	18.5
133.06174	0.5
135.00899	36.1
136.01242	0.9
148.01680	0.3
149.02483	1.5
153.01953	12.5
154.02321	0.3
164.04807	11.9
165.05083	0.4
187.11299	54.3
188.11613	2.1
213.09146	0.4
225.05606	0.3
281.11856	1.2
323.12903	100.0
324.09531	0.3
324.13263	6.0
397.13495	0.3
892.95148	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
70.04048	4.7
70.04443	5.2
71.01375	5.5
81.03465	8.6
83.01400	16.7
89.02470	4.9
92.92801	7.4
93.03458	5.5
95.01427	3.0
95.05064	3.5
96.96038	12.8
97.02964	6.6
98.20576	2.9
99.04533	4.6
101.02434	3.2
108.90215	7.0
109.02969	7.8
119.05004	4.0
121.02953	7.4
122.03781	3.3
125.02460	77.3
125.03349	5.5
135.04512	2.9
137.02470	71.7
137.03519	3.7
139.04030	3.6
146.03751	24.1
147.04460	4.2
151.00412	4.6
151.04008	5.9
159.04474	12.9
160.05263	4.6
161.06085	2.8
164.01131	18.1
165.01950	46.7
167.03491	25.8
172.05307	4.9
173.06183	4.2
174.03204	10.3
174.06784	3.8
175.04018	6.0
176.04768	3.2
177.01965	10.6
179.03497	15.3
187.04044	7.9
188.04765	7.9
200.04875	6.8
201.05527	4.6
204.04384	5.1
212.04779	3.5
226.06442	2.8
251.07133	3.2
252.07961	3.4
255.17494	3.1
263.16528	2.7
268.07303	3.3
269.08591	2.2
269.11780	5.4
271.13452	35.0
272.13745	3.6
277.21786	9.4
283.13373	6.2
285.14868	4.2
287.13025	4.1
289.14493	11.5
289.17758	4.5
294.09116	4.3
295.13495	4.0
297.14981	4.3
299.12930	7.7
301.14395	4.2
307.19189	3.3
309.15033	2.8
313.14453	18.1
317.13763	5.8
325.14490	11.8
337.14410	6.1
343.15546	7.7
355.15231	3.4
377.17606	4.7
380.91782	3.1
395.18671	4.9
407.18512	7.5
419.18738	13.4
420.19424	2.4
437.19516	8.9
445.16476	2.6
463.17609	3.9
537.50946	2.7
567.24701	6.9
591.24078	3.6
673.28644	7.5
717.27667	3.5
817.05328	3.0
827.45490	15.3
828.46161	4.2
839.46417	15.3
851.45935	7.3
857.47485	9.8
858.47363	3.1
933.49481	18.5
951.49408	5.8
959.47760	8.4
977.49109	100.0
978.49341	20.1
995.50317	64.0
996.50909	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	995.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	3.5
71.01382	3.7
71.54237	3.2
71.54913	2.6
75.00893	3.5
81.03457	8.9
83.01388	16.4
87.00895	3.0
93.03473	6.5
95.05039	4.3
96.96024	21.9
97.02950	6.4
99.04515	3.4
101.02460	4.3
109.02966	9.3
120.02140	2.7
121.02966	7.9
123.04547	4.4
124.01673	2.6
125.02468	84.9
133.02985	3.2
135.04599	4.1
137.02466	71.8
137.03525	4.5
146.03754	23.7
147.04411	2.3
149.02382	3.0
150.03297	2.8
151.04062	5.7
159.03357	2.7
159.04530	13.9
160.05211	3.9
161.02484	5.4
164.01173	16.9
165.01941	42.3
167.03534	27.8
172.05304	7.4
173.06071	5.1
174.03236	14.6
175.04024	3.0
176.04800	2.9
177.01947	11.7
179.03549	18.8
187.04005	7.9
188.04823	7.8
200.04791	6.1
201.05580	5.7
204.04347	4.7
212.04730	5.3
225.05511	6.8
226.06291	2.7
251.07138	3.2
255.13715	3.2
269.11902	7.8
270.08835	3.6
271.13425	28.2
277.21744	22.9
283.13596	4.6
289.14371	4.4
294.08829	3.4
295.13162	4.1
299.12869	10.4
313.14532	21.6
317.14001	3.7
325.14508	13.6
331.15326	4.1
335.16626	4.1
336.16870	2.2
337.14392	7.3
343.15576	5.5
379.15808	2.4
393.16827	2.8
413.73663	2.5
419.18811	18.9
437.19608	5.0
463.17532	6.5
567.24109	3.8
591.24011	2.6
673.28284	3.8
717.28711	3.7
827.45874	24.0
828.46350	3.6
839.45953	18.5
851.45605	7.4
857.47241	12.5
933.49591	18.7
934.49689	4.6
951.49530	4.1
959.48016	6.7
977.49023	100.0
978.49384	20.0
995.50238	67.0
995.97662	3.6
996.50159	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	987.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
70.37135	11.1
71.01391	9.2
71.29819	2.9
75.06134	2.7
85.77519	3.2
89.02468	9.3
101.02431	5.0
113.02479	3.6
119.03486	4.2
121.56468	3.4
125.02407	3.4
126.67487	3.2
161.04433	4.3
175.52260	3.1
179.05736	4.9
191.28239	3.3
277.21774	27.2
287.07343	3.5
293.21283	100.0
379.13046	4.9
397.13541	48.1
415.14563	12.5
674.32428	3.4
675.35443	7.0
712.79565	3.4
987.54785	41.5
988.55005	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	995.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	5.3
72.99320	1.3
75.00871	1.2
79.95757	1.6
81.70038	0.7
83.01392	2.3
84.02178	3.2
85.02960	100.0
86.03304	2.0
89.02442	2.2
91.00720	0.6
91.83238	0.8
93.03486	1.3
95.01462	0.6
95.21935	0.6
96.96022	23.3
98.07034	0.6
103.00389	2.2
109.02971	3.4
111.00902	0.9
121.02974	1.5
125.02458	23.2
126.02842	0.8
129.01965	4.8
133.01424	1.5
134.03735	4.8
137.02431	5.6
139.04027	2.7
147.02995	11.7
149.02469	2.1
151.04007	2.2
161.06085	0.8
163.04112	0.6
164.01094	0.7
165.01941	3.2
167.03519	2.3
175.03992	3.0
177.01939	20.2
178.84570	0.7
179.03510	2.5
187.04008	0.9
191.01997	58.8
192.02350	1.8
193.05118	2.7
199.04181	0.8
209.03052	35.9
210.03314	0.9
215.03499	0.9
217.05205	1.3
219.03123	1.1
219.06628	1.9
221.04642	1.6
223.04620	1.4
227.03653	1.0
228.04236	0.8
229.05075	1.2
243.02980	2.8
255.03027	6.5
256.03784	1.2
257.04556	1.4
257.82034	0.7
261.04095	1.0
261.07623	1.2
269.04755	0.9
273.04074	1.1
282.01761	1.1
283.02454	3.7
285.04163	1.0
297.03995	1.5
303.05188	3.6
305.06711	14.3
355.08133	1.1
367.06604	1.3
385.07825	21.7
386.08179	1.6
402.62180	0.9
423.07224	27.0
424.07629	2.2
441.08325	23.6
441.14456	1.2
442.08594	1.2
483.09299	2.2
591.11676	0.8
609.12653	14.2
610.13263	1.8
705.47729	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5753
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03467	1.8
71.01389	15.1
71.54166	0.4
72.99307	1.6
73.02960	3.1
75.00862	0.5
81.03464	0.8
83.01398	2.2
83.04997	0.6
84.02157	0.4
85.02465	0.7
85.02959	10.3
87.00881	3.3
88.23833	0.3
89.02457	12.4
95.01385	1.1
95.05037	0.5
96.96020	3.4
97.02959	2.5
97.06603	2.3
98.95611	0.5
99.00886	0.8
101.02455	11.5
110.03728	0.3
113.02466	6.1
119.03503	3.7
119.08691	0.5
125.02451	4.5
125.09713	0.7
127.11296	1.2
131.03555	0.6
137.09718	1.5
139.04010	0.5
143.03481	2.2
149.04572	0.4
155.10767	0.7
161.04527	1.8
167.03564	0.4
171.10280	15.9
172.10680	0.4
177.12860	0.6
179.05653	2.7
183.13919	3.0
185.11800	1.0
193.12270	0.5
195.13974	0.6
197.11800	0.5
201.11313	0.9
209.11821	1.3
211.11501	0.7
211.13419	11.4
212.13808	0.5
217.07224	0.6
221.06731	0.9
221.11909	2.0
229.12340	0.5
229.14482	8.3
235.08250	4.4
239.12871	1.6
253.09222	0.6
263.07724	0.5
277.21747	28.9
278.22174	1.9
287.07782	1.3
291.19708	4.2
305.08777	1.6
309.20758	8.3
310.21051	0.8
319.22672	0.4
323.09970	1.0
327.21790	100.0
328.22137	5.5
379.12451	0.8
397.13538	48.1
398.13916	2.9
415.14618	17.1
416.14920	0.7
462.12167	0.4
587.43152	1.2
675.36053	2.8
683.69012	0.4
707.35040	5.3
708.36243	0.7
725.36096	3.1
904.04956	0.4
985.56677	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
70.05460	23.4
71.01380	19.1
89.02457	15.0
96.96022	40.4
97.02937	9.0
101.02464	9.9
112.45399	5.6
113.02469	13.1
116.92838	15.6
119.03555	6.5
125.02451	11.2
146.43915	6.6
156.08401	5.3
165.12929	6.7
177.76057	6.3
179.05615	9.2
197.11717	7.4
199.15068	6.8
209.11879	80.9
227.12912	18.7
291.19629	18.5
309.20731	100.0
310.20599	7.0
379.12247	7.7
397.13480	57.9
398.13681	7.9
415.14563	19.7
589.25580	10.3
607.26233	11.7
689.33899	10.8
899.46167	12.6
920.87805	7.2
985.48071	73.4
986.47632	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	981.195
Annotation	Unknow
Peak:m/z	Relative Intensity
68.34933	0.4
68.99824	0.7
69.65205	0.3
70.61231	0.3
71.01389	7.9
71.07891	0.6
72.99308	1.5
75.00879	0.8
80.27512	0.4
81.03461	0.6
81.26220	0.4
83.01401	1.3
84.02189	1.5
85.02962	53.4
86.03311	0.8
87.00903	1.1
89.02459	3.4
90.11309	0.4
93.03482	0.7
96.96018	1.5
101.02447	0.5
103.00386	1.1
109.02967	2.4
111.00900	0.7
115.00385	0.6
121.02943	1.3
123.04555	0.4
124.86621	0.4
125.01532	0.8
125.02464	16.6
129.01970	2.0
133.01440	4.6
133.03015	0.5
135.04543	2.8
137.02480	4.6
139.04047	2.0
147.03024	3.2
149.02466	1.2
149.06097	0.4
151.04037	0.8
159.04501	0.4
163.04173	0.5
165.01939	1.7
167.03535	2.5
175.04004	1.5
177.01950	12.5
177.05623	0.6
178.02237	0.5
179.03560	2.3
187.04051	0.7
191.02003	12.4
203.03487	0.4
204.04279	0.5
209.03053	100.0
210.03404	1.6
215.03485	0.6
217.05049	0.5
219.06619	0.8
221.04614	0.9
229.05101	0.8
243.03033	1.6
255.03035	4.4
256.03775	0.8
257.04602	0.6
261.03964	0.7
269.04507	0.6
273.04193	1.4
283.02493	3.4
285.04211	0.7
297.04065	1.5
303.05045	1.9
305.06729	8.3
309.13004	0.5
315.05313	0.6
353.05292	0.7
355.08255	0.6
357.90540	0.5
369.06107	0.8
371.06247	8.6
423.07260	17.9
424.07742	1.0
441.08325	14.4
442.08746	1.5
483.09338	1.7
562.94739	0.4
609.12830	12.5
610.13354	1.1
829.36847	0.5
838.03119	0.4
953.25476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	0.4
73.02956	0.2
81.03464	3.8
83.01405	1.2
85.02956	2.2
96.96026	0.2
99.08157	1.1
101.02449	0.3
101.06094	0.6
107.01418	0.6
107.05039	0.2
113.02475	0.2
119.05073	0.4
121.03033	0.2
123.08176	2.6
124.01682	0.2
125.02464	10.0
125.06096	5.4
126.02844	0.3
129.01976	0.5
136.05275	0.8
137.02434	0.3
137.06067	0.2
141.09245	0.6
147.03024	0.3
147.08167	0.6
149.02460	0.9
149.06073	0.2
151.00417	1.0
152.01169	0.3
163.04056	0.5
165.09222	26.7
166.09514	1.0
167.03514	0.3
167.07097	0.3
179.03441	0.2
191.01994	0.9
191.03548	0.3
191.07129	2.0
205.08676	0.4
209.08208	100.0
210.08551	4.4
233.08240	2.7
234.08443	0.2
251.09241	0.7
263.09308	0.2
269.04608	0.2
275.09314	0.4
337.05765	0.6
385.07748	0.3
395.36093	0.2
431.22928	0.2
474.17184	0.4
475.18127	0.2
503.17740	64.2
504.18048	5.4
505.18329	0.7
730.75952	0.2
829.66571	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45026	0.7
89.30128	0.1
93.03472	0.3
93.66223	0.1
95.01392	0.3
96.96027	0.9
96.96995	0.1
102.38200	0.1
107.01432	0.1
107.05025	0.1
108.02161	0.2
109.02922	0.2
116.24392	0.1
116.92932	0.1
117.03466	0.2
119.05042	33.4
120.05366	0.8
121.02972	0.9
122.03751	0.1
123.00855	0.3
133.02972	0.1
135.00922	0.1
136.01683	1.3
137.02403	0.2
143.05019	0.2
144.05830	0.1
145.02994	0.8
148.01695	0.2
156.33853	0.1
157.06624	0.5
159.04539	2.2
159.08182	1.8
160.04907	0.1
160.08826	0.1
161.02475	0.4
163.07660	0.6
173.06094	0.3
175.04045	0.1
175.07649	0.2
176.08438	0.2
177.09164	0.3
180.00667	0.2
185.06000	0.2
187.04024	2.1
187.07613	0.1
187.11356	0.3
188.04587	0.1
190.06384	0.6
201.05594	1.8
202.06377	1.8
203.07167	2.3
209.06108	0.1
215.07158	0.3
216.07935	1.1
221.08238	0.8
223.07700	0.1
223.34987	0.1
225.05583	0.4
231.92035	0.1
235.07690	0.3
237.05566	0.7
238.05913	0.1
239.07088	0.1
248.06915	1.9
251.07265	0.3
253.05167	0.2
266.05865	0.2
267.03900	0.2
267.06644	3.3
268.06982	0.2
278.05777	0.2
279.06659	9.3
280.07034	0.5
281.08102	0.3
282.08905	0.2
293.08224	0.4
293.15472	0.3
295.13452	1.7
296.13818	0.1
304.10962	0.1
305.11832	0.2
307.09665	0.4
314.08142	0.1
321.11203	0.5
322.12109	1.9
323.12711	0.2
324.13318	0.1
337.14481	100.0
338.14810	6.2
354.10568	0.1
481.14917	0.1
555.18945	0.3
641.22516	0.3
679.48279	0.1
979.37476	0.9
980.37109	0.2
989.68414	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	971.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
70.76004	11.0
70.76350	14.2
71.01389	14.8
82.91814	6.7
87.44409	6.8
89.02477	11.1
97.24864	6.6
101.02450	8.1
113.02509	9.1
125.30854	6.2
277.21771	100.0
278.21973	10.1
339.19818	14.3
379.12402	14.8
397.13745	36.7
415.14273	7.2
428.59131	7.4
474.56360	7.7
621.40576	8.6
699.01050	7.5
935.58295	7.7
971.55481	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99825	0.7
71.01398	4.0
71.54123	0.6
72.99300	1.2
75.00879	1.1
82.52853	0.4
83.01417	2.4
84.02181	3.0
85.02962	100.0
86.03292	1.8
87.00911	0.8
89.02463	0.5
93.03442	0.6
96.96023	9.9
103.00391	1.9
109.02948	2.0
111.00905	1.3
112.16618	0.4
115.00397	0.5
117.03535	0.6
123.04528	0.8
125.02466	7.7
129.01959	5.8
133.01439	1.2
133.78987	0.4
134.03760	4.6
137.02480	2.2
139.04019	0.5
147.03014	11.7
149.02443	1.1
149.06073	0.6
151.03972	0.8
159.04472	0.4
163.00346	0.4
163.04054	0.8
165.02032	0.6
173.00905	1.2
175.03969	1.4
177.01961	5.9
178.02570	0.5
179.03464	0.7
187.04037	1.0
191.01999	62.4
192.02319	1.5
193.05051	3.3
203.07213	0.7
205.01622	0.5
205.03531	1.2
209.03052	18.8
217.05206	0.4
223.04601	4.4
243.02911	0.5
245.04643	0.5
245.08406	0.7
255.03038	1.4
256.03665	0.5
273.04071	0.7
285.03851	0.5
289.07202	3.3
303.04929	0.6
305.06638	1.1
339.08804	0.6
367.06693	1.6
385.07825	25.0
386.08194	1.5
407.07748	6.5
408.08292	0.8
423.07199	1.0
425.08856	8.3
426.09357	0.9
441.08395	1.2
467.09900	1.6
593.13153	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	967.5646
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	0.5
71.01017	0.5
71.01392	7.3
71.54169	0.3
72.99316	0.5
73.02950	1.0
83.01406	0.8
85.02944	2.1
87.00877	2.2
89.02459	5.9
95.01403	0.7
96.96021	4.3
97.02953	1.0
99.00897	0.4
101.02465	5.0
111.04535	0.4
113.02467	3.2
119.03507	2.1
125.02489	1.8
125.53457	0.3
139.03941	0.3
143.03491	0.6
161.04572	1.4
171.10315	0.6
179.05652	2.5
179.14413	0.9
181.12361	0.8
183.13943	1.2
195.13933	8.1
195.15611	0.7
196.14595	0.4
203.10576	0.6
205.12331	0.8
205.16171	0.4
211.13451	0.7
219.10197	0.5
221.06644	0.6
221.11624	0.5
223.13336	8.3
228.13640	1.0
235.08072	2.0
237.11072	1.9
246.65765	0.4
249.11107	17.0
250.11424	0.7
253.09338	0.4
256.13159	1.5
262.28299	0.3
263.12650	0.7
265.21390	0.4
267.12112	2.9
275.20224	4.0
277.21765	1.0
287.07547	0.5
293.21271	100.0
294.21585	6.1
305.08713	0.8
309.20667	0.4
366.93600	0.4
379.12552	1.1
397.13553	16.2
398.13889	0.5
415.14630	8.0
416.14655	0.6
493.83777	0.4
569.42157	1.0
607.26337	0.8
629.24017	2.2
647.25378	1.6
673.34424	0.9
691.35675	2.2
773.85901	0.4
886.79077	0.4
967.48737	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5647
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	2.0
70.47946	2.0
71.01016	1.3
71.01391	21.3
71.05038	0.7
72.99306	2.2
73.02962	3.2
81.03455	1.2
83.01394	2.1
83.05025	1.1
85.02964	6.2
86.00136	0.7
87.00873	5.4
89.02457	18.4
89.03004	1.0
95.01402	1.9
95.05052	1.1
97.02943	4.6
98.65891	0.7
99.00875	1.9
101.02454	16.4
111.08162	8.7
113.02462	9.8
119.03503	5.3
119.38451	0.6
125.02468	7.4
127.07679	0.9
131.03505	1.2
137.09650	0.8
143.03497	3.8
149.04509	0.9
153.12859	0.9
161.04630	4.0
165.12770	0.8
169.12376	4.5
171.10269	2.4
179.05609	6.3
181.12372	1.3
183.13939	1.0
197.11848	44.3
198.12222	1.6
199.13423	2.5
209.15474	2.6
211.13397	5.1
221.06735	1.6
223.17075	1.3
225.15005	4.3
227.12889	1.2
235.08293	6.4
247.20703	0.9
251.16519	4.4
253.09375	1.8
255.23427	0.8
263.20172	3.0
265.18066	1.4
271.22931	1.0
273.18585	1.9
277.21747	58.1
278.22195	4.1
287.07867	2.0
291.19693	20.7
292.20132	1.5
303.62210	0.8
305.08810	2.7
309.20734	100.0
310.21082	6.1
323.09836	1.3
379.12369	4.3
397.13541	50.5
398.13831	2.7
415.14612	18.1
416.14612	1.6
626.94537	0.8
675.36121	1.1
689.34033	2.4
707.35327	2.0
791.13153	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5336
Annotation	Unknow
Peak:m/z	Relative Intensity
70.08625	0.7
70.59471	0.2
78.83920	0.2
96.96011	1.8
101.02473	0.2
111.08181	1.3
161.04398	0.2
165.12863	23.9
166.13263	0.9
166.14478	0.2
181.12427	0.2
183.13919	98.2
184.14250	3.9
191.10823	0.4
209.11847	7.7
210.12115	0.3
212.41832	0.2
227.12910	100.0
228.13257	3.9
253.09357	0.2
445.20724	0.6
946.01465	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01367	0.3
71.20029	0.3
71.54892	0.5
85.02958	0.8
109.02946	1.1
130.95287	0.3
131.05022	0.4
133.02972	4.3
135.04530	0.5
149.02490	0.4
151.03964	0.3
161.02408	0.5
163.04021	0.6
175.03958	1.0
177.01967	1.1
177.05574	0.6
179.03584	0.3
189.02025	0.4
191.01974	0.4
191.03543	0.4
201.02008	0.3
203.03476	0.5
205.05026	0.4
209.03033	0.3
213.05605	0.6
215.03526	0.4
215.07095	0.4
216.09001	0.3
217.01419	0.3
227.03523	0.3
238.55779	0.3
239.07150	0.6
241.04990	0.3
245.04578	0.4
251.07335	0.3
251.78413	0.3
267.06848	0.4
269.04904	0.3
297.04300	1.6
297.07092	0.4
298.04886	4.0
299.05649	1.9
309.04105	0.5
310.04715	0.4
311.05618	3.4
312.06448	4.1
313.07156	4.4
323.05673	0.9
325.07199	0.7
327.05151	2.8
338.04199	0.3
339.05118	5.4
341.06628	2.9
344.05557	0.9
351.05219	0.6
353.06815	1.4
357.06210	1.3
369.06180	24.3
370.06595	1.7
381.06192	2.9
383.07773	0.4
399.07230	21.6
400.07697	1.4
411.07315	2.1
413.08893	0.4
423.07248	0.7
429.08282	4.5
435.07166	0.5
441.08411	1.6
453.08432	0.8
459.09552	2.3
471.09286	1.7
489.03720	0.6
489.10464	7.3
490.10748	0.7
501.10339	0.5
519.11493	1.6
561.12463	0.5
579.13611	100.0
580.13995	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	965.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
68.08765	0.5
68.99812	0.6
69.88887	2.4
70.31149	0.4
71.01392	8.3
72.99313	1.9
75.00899	1.0
83.01401	2.6
84.02178	1.9
85.02959	100.0
86.03304	1.3
87.00903	1.1
89.02460	3.7
93.03469	0.8
101.02474	0.5
103.00376	2.1
109.02963	2.4
111.00906	0.7
111.04475	0.4
115.00349	0.8
119.05034	1.9
121.02965	0.7
123.00871	0.6
125.02454	16.0
129.01965	4.8
133.01434	4.9
137.02440	4.8
139.04022	2.7
147.03014	11.3
149.02448	1.4
151.04005	0.8
163.04062	2.6
164.01173	1.1
165.01889	3.2
167.03499	2.8
175.04045	1.2
177.01952	12.7
178.02351	0.8
179.03526	2.6
187.03996	1.1
191.01993	45.8
192.02296	1.4
199.04019	0.4
203.03505	0.6
205.01366	0.6
209.03043	94.6
210.03391	2.5
210.05083	0.5
211.03998	0.5
215.03508	0.6
217.05019	0.6
219.06610	1.5
220.22499	0.5
221.04533	1.4
228.04184	0.5
229.05070	1.1
243.03000	1.9
255.02988	3.9
256.03735	1.4
257.04504	0.7
273.04092	1.0
283.02390	3.0
285.03998	1.0
297.04083	1.5
298.05017	0.6
303.05167	2.0
305.06656	9.5
337.05643	1.2
355.06726	29.8
356.07095	1.8
382.22272	0.5
421.73694	0.5
423.07254	17.5
424.07523	1.5
441.08316	16.1
442.08563	1.6
483.09274	2.6
501.91949	0.6
591.11633	0.7
609.12445	9.8
610.12756	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99835	1.0
71.01391	8.6
72.99315	1.5
75.00880	1.4
79.42191	0.5
82.75802	0.4
83.01395	1.7
84.02168	2.4
85.02962	100.0
86.03302	1.8
87.00888	1.8
89.02449	4.4
89.25536	0.5
93.03545	0.5
95.01327	0.5
101.02464	0.5
103.00391	2.1
109.02962	2.3
115.00410	0.6
119.05047	2.7
121.02971	1.3
123.00940	0.6
125.02466	20.3
129.01956	4.6
133.01450	5.8
133.02994	0.7
137.02460	5.8
139.04012	2.5
147.03008	9.3
149.02466	1.6
151.04031	0.9
163.04073	2.0
164.01170	0.8
165.01952	3.1
167.03534	2.2
167.04822	0.4
175.04036	1.2
177.01941	15.8
177.05582	0.7
179.03517	2.3
187.04028	1.2
191.01999	46.8
192.02278	0.8
203.03368	0.6
209.03052	97.9
210.03400	2.7
215.03654	0.6
217.05113	0.6
219.06636	1.7
221.04642	1.1
229.04938	1.0
243.03032	1.3
255.03003	2.5
256.03711	1.0
257.04532	0.5
261.04236	0.7
261.07806	0.5
273.04068	1.6
282.01593	0.5
283.02521	2.6
285.04208	0.7
297.04016	2.0
298.04846	0.7
303.05069	2.6
305.06686	10.7
315.04773	0.5
321.08774	0.5
337.05634	0.9
339.05075	0.6
341.24036	0.5
355.06741	34.1
356.07297	2.3
369.06204	2.0
371.06519	0.6
399.07275	1.6
423.07263	13.8
424.07690	1.3
441.08304	14.7
442.08505	1.5
483.09430	3.3
591.11700	1.0
609.12982	19.8
610.13568	2.8
677.69446	0.5
688.82715	0.6
776.46057	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.5493
Annotation	Unknow
Peak:m/z	Relative Intensity
70.58332	8.7
71.01392	12.3
76.72355	3.0
83.05007	3.3
85.02937	3.5
89.02456	11.5
97.02940	3.4
101.02459	17.5
113.02477	11.1
116.92881	7.3
119.03547	3.1
125.02430	6.6
161.04620	3.2
163.11269	5.7
209.11845	100.0
210.12125	3.6
227.12944	12.7
235.08189	7.8
241.58308	3.6
255.23308	46.1
256.23523	5.0
379.12601	15.2
397.13577	40.9
415.14313	6.0
544.03302	3.1
607.26294	3.9
635.36499	4.7
653.37787	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	961.5393
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	18.9
71.54135	2.2
72.11843	1.4
73.02911	2.3
75.40629	1.3
83.01423	1.7
85.02956	5.7
87.00883	5.1
89.02451	15.5
93.03451	1.6
96.96034	7.5
97.02932	2.7
97.47900	1.2
101.02451	12.2
103.48676	1.3
113.02472	7.1
119.03502	3.3
125.02452	4.9
136.89191	2.8
141.01715	3.2
143.03534	2.5
161.04539	3.5
167.14406	1.5
179.05577	3.0
183.13924	6.5
185.06804	1.4
202.96622	1.2
211.13419	100.0
212.13762	3.0
235.08218	4.3
274.82297	1.3
277.21756	46.9
278.22031	3.1
305.08505	1.7
310.83890	1.2
378.15131	1.6
379.12555	12.7
397.13565	32.7
398.13388	1.4
415.14816	8.2
440.72876	1.4
451.46725	1.5
464.14883	1.6
522.57886	1.6
591.26703	9.3
609.27435	7.7
675.36017	2.5
770.69305	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5694
Annotation	Unknow
Peak:m/z	Relative Intensity
68.72913	0.4
69.03461	1.0
71.01391	16.5
71.08207	0.4
72.01698	0.5
72.99312	1.3
73.02951	3.3
76.71782	0.5
79.43523	0.4
81.03470	0.6
83.01399	1.7
85.02958	4.8
87.00893	4.0
87.32652	0.5
89.02448	15.0
90.57732	0.4
95.01402	1.6
97.02968	2.2
98.19817	0.9
99.00909	1.0
101.02454	11.3
112.98544	0.6
113.02462	6.1
119.03506	3.3
125.02463	5.7
143.03523	2.3
161.04549	3.1
163.87001	0.4
167.10844	0.7
171.10315	0.7
179.05644	4.6
179.14403	0.9
195.13921	7.7
213.67351	0.4
221.06693	1.2
223.13445	4.1
228.13620	0.6
231.21136	0.6
235.08246	4.7
245.06857	0.4
253.09293	1.0
256.13159	1.5
275.20197	6.3
275.22968	0.9
277.21741	46.0
278.22070	3.1
287.07709	1.5
293.21262	100.0
294.21585	5.2
305.08731	1.3
323.09766	1.2
324.42505	0.5
379.12506	3.1
397.13531	35.9
398.13950	2.3
415.14615	12.1
415.19943	0.9
416.15063	0.7
543.07263	0.5
673.34216	0.8
675.36090	1.6
691.34589	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99828	0.6
70.89159	0.4
70.99065	1.1
71.01380	5.3
72.99327	1.7
75.00883	1.6
83.01389	2.6
84.02190	3.2
85.02963	100.0
86.03294	1.5
87.00870	1.0
89.02474	1.4
93.03465	0.9
97.02940	0.7
99.00904	0.5
103.00405	2.0
103.38779	0.4
109.02957	2.8
111.00932	0.6
113.01473	0.5
115.00355	0.7
119.05058	4.2
121.02974	1.4
121.07738	0.5
123.04542	2.2
125.02466	18.0
129.01965	5.3
133.01457	1.7
137.02444	3.8
145.03026	1.1
147.03020	10.7
149.02457	1.7
151.04008	3.2
161.02490	0.6
161.06059	0.7
163.04005	4.0
164.01189	1.1
165.01970	1.1
167.03522	1.0
173.00912	1.1
175.04018	1.9
177.01955	16.5
177.05466	0.6
178.02524	0.5
179.03522	1.3
187.04066	1.0
191.01999	45.9
192.02386	1.0
203.07207	1.8
205.05136	1.2
205.11125	0.5
209.03053	45.2
210.03375	1.1
217.05188	0.5
219.02965	0.5
227.03647	0.5
227.91681	0.5
229.04996	0.8
243.03044	0.7
245.08109	2.6
255.03050	1.5
256.03778	1.1
261.04044	0.8
269.04886	0.5
273.04150	1.5
281.04373	0.8
283.02469	0.7
285.04004	0.9
289.07233	10.0
297.04095	0.7
303.05151	3.1
305.06827	1.3
315.05252	0.7
337.05804	2.0
339.08902	1.4
355.06729	23.4
356.07086	1.3
363.84158	0.5
383.07736	0.6
407.07739	13.8
408.08182	1.4
423.07474	1.3
425.08823	19.3
426.09216	1.9
441.08115	1.2
467.09985	2.7
593.13153	13.2
594.13367	1.3
667.63379	0.6
682.72162	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85757	1.7
71.01386	13.6
71.54781	3.4
73.02969	2.5
81.03471	1.9
83.05038	4.1
85.02931	2.8
87.00876	4.0
89.02445	9.9
94.85188	1.6
96.96043	3.9
97.02960	2.3
101.02444	11.0
104.33123	1.6
105.13901	1.8
113.02466	5.7
119.03542	3.2
123.94723	1.7
125.02454	6.0
133.94586	1.9
136.21239	1.8
161.04581	4.2
163.11311	7.0
165.12822	2.5
179.05614	2.1
190.20145	1.8
209.11853	100.0
210.12163	3.2
227.11055	1.9
227.12816	9.5
235.08272	5.1
277.21783	39.4
278.22101	5.3
302.99234	1.8
379.12338	11.6
389.16791	2.0
397.13531	32.3
415.14896	8.9
940.84961	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	949.205
Annotation	Unknow
Peak:m/z	Relative Intensity
66.52685	0.3
68.99825	0.7
69.73415	1.6
69.73785	0.6
71.01389	9.4
72.99316	1.8
75.00882	1.8
83.01404	1.7
84.02176	3.4
85.02959	100.0
86.03304	1.4
87.00871	1.5
87.16841	0.3
89.02458	4.4
93.40773	0.3
98.20697	0.4
101.02448	0.4
103.00387	1.5
104.68886	0.3
109.02952	0.8
110.82553	0.3
115.00376	1.2
119.05044	1.7
125.02460	3.2
129.01955	5.1
133.01457	5.4
137.02448	0.9
137.92874	0.3
145.03102	0.3
147.03000	10.2
149.02440	0.4
151.04042	0.8
163.03973	1.9
175.04118	0.6
177.01926	2.5
187.04131	0.5
191.01993	49.4
192.02354	1.0
202.59927	0.3
209.03040	99.1
210.03427	2.6
255.02953	0.8
272.80887	0.3
289.07181	1.2
337.05667	1.1
355.06732	31.9
356.07010	2.2
407.07718	2.6
423.07507	0.5
425.08829	3.1
593.13214	2.1
755.12598	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03466	2.8
70.68189	3.5
71.01389	18.1
71.05038	2.4
73.02962	2.8
75.00891	1.2
83.01389	2.6
83.05049	1.6
85.02975	5.1
87.00904	6.9
89.02464	8.4
95.05046	1.4
95.32922	1.2
97.02969	11.1
97.06596	1.7
99.00896	19.9
101.02454	9.7
105.48253	1.2
109.06607	1.5
112.63836	1.3
113.02473	7.9
119.03513	1.2
119.05121	1.5
123.08205	1.4
125.02433	8.7
125.09743	5.4
135.08150	2.7
136.05331	1.4
142.02737	2.9
161.04579	1.6
163.11310	10.7
181.12372	19.5
199.13364	3.0
207.10284	62.1
208.10550	2.6
209.11867	3.1
221.06776	1.4
223.13504	1.7
225.11349	91.6
226.11719	3.7
235.08337	1.5
243.12389	32.3
253.09242	1.6
263.07697	2.4
267.12430	1.4
277.21759	49.5
278.22101	3.5
290.96750	1.4
317.16110	3.0
331.36859	1.2
335.17444	2.3
379.12369	1.6
397.13379	7.1
605.24548	28.7
606.25031	4.3
622.20905	1.4
623.25574	26.1
624.25824	2.6
632.38086	1.7
721.41034	1.7
883.47046	100.0
884.47491	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	941.5126
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	5.9
70.01231	4.8
71.01389	20.8
72.99318	1.9
73.02958	2.6
81.03467	1.0
83.01382	2.2
85.02962	4.5
87.00877	4.6
88.22795	1.1
89.02456	16.6
95.01385	1.8
97.02961	3.5
98.20567	1.2
99.00874	1.3
101.02464	15.2
113.02463	8.9
116.92849	6.2
119.03524	3.5
125.02430	7.0
139.54524	1.2
143.03529	2.9
161.04558	4.0
167.10733	2.5
179.05632	5.4
179.10808	1.2
179.14404	3.7
195.13957	12.1
205.12361	10.8
208.41740	0.9
215.10356	1.1
221.06602	1.8
223.13416	100.0
224.13722	5.9
235.08173	5.5
277.21753	68.0
278.22049	4.0
305.08783	2.9
323.09888	2.2
379.12491	11.6
397.13541	53.8
398.13934	3.9
412.31094	1.1
415.14590	11.2
422.68805	1.2
514.59631	1.4
603.26727	10.8
621.27649	12.1
622.27783	2.1
657.35754	1.6
675.36218	3.2
709.86182	1.1
881.49768	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	943.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03466	2.8
70.68189	3.5
71.01389	18.1
71.05038	2.4
73.02962	2.8
75.00891	1.2
83.01389	2.6
83.05049	1.6
85.02975	5.1
87.00904	6.9
89.02464	8.4
95.05046	1.4
95.32922	1.2
97.02969	11.1
97.06596	1.7
99.00896	19.9
101.02454	9.7
105.48253	1.2
109.06607	1.5
112.63836	1.3
113.02473	7.9
119.03513	1.2
119.05121	1.5
123.08205	1.4
125.02433	8.7
125.09743	5.4
135.08150	2.7
136.05331	1.4
142.02737	2.9
161.04579	1.6
163.11310	10.7
181.12372	19.5
199.13364	3.0
207.10284	62.1
208.10550	2.6
209.11867	3.1
221.06776	1.4
223.13504	1.7
225.11349	91.6
226.11719	3.7
235.08337	1.5
243.12389	32.3
253.09242	1.6
263.07697	2.4
267.12430	1.4
277.21759	49.5
278.22101	3.5
290.96750	1.4
317.16110	3.0
331.36859	1.2
335.17444	2.3
379.12369	1.6
397.13379	7.1
605.24548	28.7
606.25031	4.3
622.20905	1.4
623.25574	26.1
624.25824	2.6
632.38086	1.7
721.41034	1.7
883.47046	100.0
884.47491	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	939.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01886	0.6
68.99820	1.4
69.03445	1.2
69.35131	1.5
69.35548	3.1
71.01392	30.2
72.99308	4.1
73.02958	8.6
75.00883	13.0
81.48512	0.6
83.01403	4.5
85.02465	1.1
85.02965	18.5
86.00133	1.5
87.00889	10.0
87.04528	3.2
87.85540	0.5
88.98809	0.6
89.02451	5.5
93.08824	0.5
95.01414	4.9
96.02142	0.6
96.95982	1.9
97.02950	1.5
99.00892	13.8
101.02460	11.8
103.04008	2.0
112.01662	0.6
113.01724	0.9
113.02467	12.5
115.00343	0.9
115.04017	3.6
119.03510	1.4
125.02470	1.6
131.03496	5.3
133.58255	0.6
143.03516	5.6
145.05078	1.0
157.01454	1.1
163.06187	1.0
182.61958	0.6
183.13803	1.0
189.33357	0.6
205.07166	3.5
210.70686	0.6
223.13115	1.2
247.08391	0.6
249.11095	3.1
258.80954	0.7
267.12149	0.7
366.96213	0.6
437.30948	1.1
439.32004	1.0
453.33823	2.6
455.35312	1.9
511.33505	0.6
523.38062	2.8
921.48535	2.6
939.49713	100.0
940.50104	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	937.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
70.70992	8.4
70.71330	7.9
71.01394	15.1
87.00882	4.4
89.02467	9.6
93.69688	3.9
96.96021	30.8
101.02479	5.7
110.43925	4.3
116.92793	4.5
125.02433	6.0
139.66032	4.2
161.04495	4.5
171.10156	5.4
176.27007	3.8
195.99684	3.7
209.11856	72.9
210.12129	5.2
213.83937	4.6
225.71178	4.3
227.12872	24.3
269.70142	4.2
293.21301	100.0
309.20795	6.6
311.94376	4.5
338.64835	5.7
352.49991	4.8
397.13528	46.6
415.14511	16.7
769.40814	5.7
901.45520	7.6
937.45679	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99571	44.4
71.01389	19.3
89.02436	6.5
95.69961	5.7
96.96026	12.1
98.20706	10.7
101.02450	11.7
112.98541	31.8
113.02480	10.0
116.92871	100.0
116.97225	10.4
121.02909	6.4
211.13408	89.7
229.15727	7.0
277.21680	48.5
317.78610	6.3
379.12195	14.1
397.13593	50.4
415.14728	7.7
591.26672	24.3
609.27264	18.3
657.35046	6.4
675.35223	9.3
677.06317	7.3
745.67126	7.0
828.29010	6.9
869.49353	8.4
882.76807	6.8
937.49207	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34235	44.8
71.01386	17.5
86.72487	6.5
89.02453	20.1
96.96022	15.9
97.89184	5.7
101.02497	14.4
102.55380	6.1
102.59884	5.6
113.02443	7.6
115.08795	5.3
125.02424	14.7
127.54290	6.5
163.11394	6.0
171.10298	6.1
201.11371	100.0
202.11641	7.6
209.11836	93.4
225.11314	7.0
227.12932	18.5
235.08354	6.6
268.51334	6.1
277.21729	51.0
277.88672	6.2
287.07712	7.0
303.88449	6.2
379.12384	23.5
397.13449	86.8
398.13879	7.1
402.51602	6.0
415.14682	14.8
453.29944	6.6
488.16382	6.2
511.60046	5.8
581.23816	11.6
585.87854	6.2
599.25299	7.1
675.36108	19.6
859.47089	17.4
939.47235	30.0
940.47302	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	937.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01397	4.8
72.99330	0.3
73.02956	0.4
83.01396	0.5
83.65760	0.2
85.02967	2.2
89.02460	4.6
95.01405	0.8
96.96030	0.4
99.00901	0.3
101.02475	3.6
103.04855	0.2
111.00854	0.3
113.02467	1.8
119.03537	2.3
123.00931	0.4
123.04545	0.5
125.02476	0.3
134.03766	1.5
137.02457	1.1
138.03249	0.8
139.00389	1.1
140.01213	0.5
143.03508	0.5
149.06116	1.6
150.03246	1.0
151.04028	9.2
153.05574	1.1
154.02742	1.6
155.03548	1.0
161.04587	1.0
163.07698	0.3
163.10068	0.5
163.11319	6.4
164.04793	0.7
165.01962	3.3
165.05594	16.4
166.02744	0.5
166.06377	4.8
167.03482	0.5
170.00603	0.3
177.01917	0.4
179.03557	0.3
179.05618	0.9
180.04295	0.5
181.05109	3.7
181.08717	2.2
191.01987	0.6
209.02943	0.3
210.05316	0.6
223.04544	0.4
225.07713	100.0
226.08057	3.9
361.25858	0.3
387.12900	21.2
387.16818	21.0
388.12732	1.4
388.17236	1.0
440.80453	0.2
549.25586	17.9
550.26343	1.2
553.20685	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
70.70992	8.4
70.71330	7.9
71.01394	15.1
87.00882	4.4
89.02467	9.6
93.69688	3.9
96.96021	30.8
101.02479	5.7
110.43925	4.3
116.92793	4.5
125.02433	6.0
139.66032	4.2
161.04495	4.5
171.10156	5.4
176.27007	3.8
195.99684	3.7
209.11856	72.9
210.12129	5.2
213.83937	4.6
225.71178	4.3
227.12872	24.3
269.70142	4.2
293.21301	100.0
309.20795	6.6
311.94376	4.5
338.64835	5.7
352.49991	4.8
397.13528	46.6
415.14511	16.7
769.40814	5.7
901.45520	7.6
937.45679	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00332	0.4
65.18131	0.3
69.51122	0.2
71.01383	1.1
71.54741	0.3
71.55118	0.3
77.03979	0.5
79.01901	0.5
80.73441	0.3
83.01402	0.6
85.02957	1.2
89.02460	0.3
97.02990	0.3
97.96635	0.3
101.02460	0.4
105.03477	0.4
107.01405	0.4
109.02979	2.0
113.02467	0.4
117.03488	0.2
117.46718	0.2
119.05019	0.8
121.02969	1.3
123.04651	0.2
125.02492	1.4
132.02251	0.3
133.02971	10.3
134.03279	0.6
135.00922	0.3
135.04526	1.1
137.02444	0.8
138.05606	0.5
147.04526	0.8
148.01701	0.3
149.02446	1.2
151.00337	0.7
151.04028	0.7
161.02470	1.1
161.04520	0.3
163.00307	1.6
163.04027	2.9
165.01938	1.8
173.02429	0.4
175.04033	3.7
177.01955	0.6
179.03636	0.3
189.05559	0.4
191.01955	0.4
191.03506	1.4
193.01425	1.3
196.05202	0.3
198.03217	0.4
199.04036	0.9
201.01926	0.9
211.03937	0.4
212.04800	0.5
213.05588	0.7
215.03426	0.3
217.05099	0.3
224.04887	0.3
225.05620	0.9
227.03505	0.5
229.04999	0.4
231.06635	0.5
237.05646	0.3
240.04318	0.7
241.05103	1.0
243.03020	0.6
253.05060	1.1
254.05836	0.3
255.02986	0.5
255.06618	0.7
256.03833	0.3
257.04544	0.5
267.06790	0.3
269.04483	0.9
270.04977	0.3
271.06226	0.5
281.04623	0.3
283.06186	0.5
284.03305	7.9
285.04044	6.9
297.04077	14.9
298.04858	7.8
299.05630	16.8
300.05801	1.2
309.04053	0.8
311.05682	2.2
324.02841	0.6
325.03574	1.1
327.05121	95.8
328.05511	6.2
339.05103	3.4
340.05493	0.3
341.06714	0.9
357.06198	24.0
358.06631	1.8
369.06149	2.6
393.06128	1.2
401.18051	1.3
403.19519	0.4
411.07013	0.5
417.25998	0.3
429.08401	0.4
445.20920	0.7
447.09357	100.0
448.09692	9.5
486.14645	0.2
489.16196	0.5
816.99219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67010	5.0
71.01385	2.4
73.93652	1.1
85.02959	10.6
98.19785	1.0
117.03483	2.7
121.02948	2.0
134.03761	1.3
135.04500	1.6
137.02481	1.1
149.02509	1.3
164.07201	1.5
167.03548	1.5
191.01988	3.1
193.05054	1.4
206.08211	1.2
209.03072	14.4
296.06754	1.6
297.07755	7.4
323.05276	1.6
325.07199	2.7
328.05878	1.7
353.06747	23.1
354.07159	1.6
360.45486	1.2
365.06592	1.6
371.09930	1.7
383.07700	18.1
413.08804	2.1
425.08759	3.1
443.09760	3.6
473.11017	4.0
563.14081	100.0
564.14490	11.3
632.70355	1.1
717.81653	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	8.3
79.95760	1.1
81.03517	1.9
83.01422	1.3
83.05042	5.0
85.02978	2.6
87.00896	3.2
89.02460	4.0
96.96023	23.0
98.95629	3.1
101.02449	6.4
103.33894	1.2
113.02473	5.4
119.03466	1.6
125.02480	4.6
132.51155	1.3
143.03476	2.4
161.04546	3.0
163.11320	1.7
165.12840	1.4
167.03616	1.3
171.10300	1.3
179.05637	2.2
209.11848	100.0
210.12241	3.8
227.12915	24.5
235.08214	3.4
276.73785	1.3
287.07910	1.6
301.03079	1.3
309.20358	1.5
323.09760	1.8
327.21600	3.0
352.01743	1.4
379.12479	12.6
397.13565	32.0
415.14307	5.2
589.25061	14.7
590.25055	1.6
593.51105	1.7
607.26050	16.9
608.26495	2.9
799.37549	6.5
817.38556	2.1
835.39899	4.7
856.04773	1.4
870.60651	1.5
935.42804	25.7
936.43115	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	933.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
66.95895	0.3
71.01408	0.5
83.05043	0.5
96.96019	3.0
97.35759	0.3
111.08171	1.1
112.00211	0.3
149.02512	0.3
163.11278	0.4
163.73643	0.3
165.12863	22.9
166.13216	1.0
171.10286	0.6
181.12346	0.5
183.13914	96.5
184.14253	4.3
201.11098	0.3
201.36885	0.3
209.11844	13.3
210.12238	0.8
227.12910	100.0
228.13234	5.4
235.08154	0.3
239.51875	0.3
253.09315	0.7
284.86642	0.4
445.20599	0.5
611.31683	0.3
637.32434	0.4
866.40002	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99157	1.1
67.01935	1.1
68.99818	1.5
71.01392	29.3
71.55518	1.9
72.99319	8.0
73.02949	3.4
75.00880	11.8
81.03473	1.5
81.63226	1.0
83.01405	2.4
85.02960	22.4
86.03278	1.1
87.00884	5.2
88.98813	1.7
89.02477	7.0
95.01398	5.9
96.96032	12.7
99.00899	9.5
101.02471	7.5
102.28030	1.2
103.00385	1.6
109.02982	1.2
111.00902	1.6
113.02464	16.3
115.00379	1.4
115.70161	1.2
117.01913	1.7
119.03528	1.5
121.03025	1.8
123.04529	1.1
125.02454	3.8
149.02451	1.2
150.03313	1.5
161.02477	1.1
167.03561	2.3
175.02515	2.3
191.01942	2.0
221.06325	1.3
243.02960	1.1
249.06122	7.2
267.07129	1.2
283.06155	1.3
311.05710	1.5
313.23969	3.3
341.26996	3.3
359.27991	10.0
469.08997	1.4
503.32620	3.2
521.33398	12.2
525.86090	1.2
545.12701	1.7
554.64429	1.1
665.37256	1.7
683.38483	11.9
847.45135	1.5
933.45740	100.0
934.46039	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.435
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03493	2.8
69.79102	9.5
69.79514	5.8
71.01391	100.0
71.04990	2.5
72.99323	4.7
73.02958	53.5
75.00875	6.0
83.01395	27.0
85.02959	52.9
85.46014	2.8
86.81044	2.6
87.00878	4.9
88.89649	2.7
89.02454	44.8
95.01407	8.9
96.96019	7.9
99.00877	7.7
101.01807	5.3
101.02457	95.9
101.03120	5.6
113.02466	57.7
119.03508	22.4
125.02451	11.1
126.00063	2.5
131.03514	7.5
143.03470	11.4
147.02988	4.9
149.04555	17.5
155.10808	3.8
161.04550	43.9
165.09245	6.0
167.03525	4.7
179.05626	9.0
191.01970	8.4
203.05681	6.1
207.13744	3.0
209.08167	20.0
221.06656	8.6
227.16533	13.7
267.12378	7.2
269.04544	9.4
327.05261	2.9
334.80725	3.5
371.20776	28.0
372.21060	3.0
389.21918	44.6
413.21780	30.1
429.21396	4.0
431.22864	89.2
432.23257	9.7
437.14191	2.8
461.10876	3.9
503.17780	10.4
504.17700	3.4
609.25494	5.2
682.25092	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	933.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
65.20178	0.3
67.01904	0.3
68.99833	0.6
69.16516	0.3
70.52671	0.7
71.01388	7.9
72.99309	1.6
75.00893	0.8
83.01402	1.0
84.02177	2.2
84.39601	0.3
85.02959	87.0
86.03303	1.4
87.00897	1.3
89.02453	3.0
98.20564	0.3
101.02442	0.5
103.00375	1.3
109.02959	0.6
111.00885	0.4
115.00390	0.6
119.05025	1.7
124.68121	0.3
125.02459	2.4
129.01956	5.0
133.01466	5.0
136.18648	0.3
137.02449	0.6
147.03017	10.1
151.04073	0.3
161.02480	0.6
163.03990	1.5
173.00987	0.4
175.04016	0.5
177.01973	0.7
191.01993	40.3
192.02344	1.1
206.19023	0.3
209.03043	100.0
210.03366	3.0
218.44678	0.3
287.05588	0.6
289.07138	1.4
337.05746	1.2
355.06726	22.1
356.06998	1.5
406.37128	0.4
407.07721	1.1
425.08682	1.7
451.10355	0.4
503.93091	0.4
555.88251	0.3
566.38190	0.3
577.13623	1.1
579.14008	0.4
648.12244	0.4
820.88104	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	1.7
71.01392	53.7
72.99327	2.5
73.02956	47.0
75.00877	2.1
81.03495	1.0
82.14105	1.0
83.01398	15.0
85.02961	14.2
87.00899	2.3
89.02463	14.6
95.01413	2.9
96.96044	1.9
97.02958	1.7
99.00933	2.3
101.02460	51.3
113.02468	26.9
119.02782	1.0
119.03496	6.4
125.02461	1.1
128.78322	1.0
131.03529	4.5
136.47963	1.0
143.03568	5.3
149.04584	9.5
155.03517	1.8
159.03046	1.6
161.04581	20.4
186.36920	1.0
203.05626	1.3
221.06706	3.9
251.65192	1.0
371.20728	2.0
389.21887	21.9
413.22061	1.4
431.22891	100.0
432.23233	8.8
433.20828	2.6
475.21625	1.3
479.63397	1.1
523.84320	1.0
615.88312	1.1
805.91809	1.2
933.45367	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	931.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
68.83399	0.6
69.29065	1.0
69.29470	4.3
75.00871	0.8
79.00015	0.5
85.02944	2.4
98.20711	1.3
101.09322	0.6
101.76643	0.6
109.02939	1.1
133.02977	6.2
135.04524	0.6
149.02492	0.8
150.07166	0.7
161.02531	1.2
163.00398	1.0
163.04021	1.6
165.01964	1.4
175.04041	1.4
177.01892	0.9
191.02025	1.1
191.03508	1.4
193.01401	1.2
199.03975	0.6
201.01918	0.7
240.04272	0.7
283.06024	0.8
284.03336	6.0
285.04077	5.4
297.04034	8.9
298.04898	5.6
299.05655	10.2
300.05838	1.3
311.05627	1.5
325.03699	0.6
327.05151	71.2
328.05511	7.1
339.04956	2.2
341.06332	0.9
357.06189	19.9
358.06506	1.1
369.06299	1.4
393.06479	1.2
447.09381	100.0
448.09671	11.9
449.10120	0.8
482.26602	0.9
483.06799	1.1
483.96570	0.7
519.25555	0.7
849.88501	0.6
883.09521	0.7
885.45593	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
68.63171	6.4
70.07979	7.3
71.01387	15.0
71.54395	7.9
73.04527	6.6
78.64639	5.8
101.02456	6.9
113.02477	13.4
140.09984	7.1
189.19257	6.4
209.11852	100.0
210.12173	13.2
211.13458	6.1
227.12895	20.7
235.08342	7.0
255.23337	37.2
379.12445	26.7
397.13611	65.9
415.14551	9.6
564.91644	7.0
589.25580	13.9
623.25482	7.3
635.37067	11.9
653.37476	19.2
739.16614	7.4
845.49078	8.0
931.50256	59.7
932.51099	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	923.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00346	5.3
68.13725	1.0
81.52486	1.0
91.19140	1.1
106.34570	1.0
109.06577	1.5
113.52934	1.0
129.07059	0.9
131.08698	1.2
132.05840	10.7
133.06624	10.4
149.06110	1.3
151.07642	4.7
161.09758	2.4
164.04829	7.1
175.07654	5.2
176.01158	4.4
187.09615	1.6
187.11287	31.6
188.11682	1.7
209.11797	2.7
219.06635	33.1
220.06914	1.3
227.12939	1.4
233.08208	2.3
245.08281	1.9
277.21945	1.9
295.64011	1.2
397.13599	3.5
407.18640	100.0
408.18958	9.3
448.03690	1.0
771.72357	1.2
822.47125	1.3
923.47449	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
65.07303	7.4
71.01398	11.6
79.28194	6.6
83.05065	8.0
89.02464	13.2
96.96008	52.4
101.02444	10.2
113.02438	9.6
147.51662	7.0
209.11862	100.0
227.12872	15.1
229.11972	8.1
255.23344	44.0
283.79330	8.1
286.28198	7.4
379.12439	12.5
397.13635	46.0
583.02905	8.8
589.75879	7.1
639.26990	7.2
791.85846	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	926.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00331	4.1
71.54781	0.4
79.27686	0.3
96.96018	0.5
105.07156	0.3
106.04259	0.7
107.05066	0.4
108.02184	0.2
109.06592	1.4
119.05067	1.2
129.07104	0.5
131.08713	1.1
132.02145	0.3
132.05824	10.7
133.02963	0.4
133.06627	11.2
134.03777	0.3
137.02452	0.6
147.08147	0.5
148.01625	0.3
149.06084	0.8
151.07680	4.2
153.02861	0.2
157.06548	0.3
161.02422	0.3
161.09732	2.8
163.00398	0.3
164.04813	6.3
164.38928	0.2
175.07657	4.2
175.99788	0.3
176.01180	3.7
177.01849	0.7
187.11299	31.2
188.11656	1.4
190.02562	0.3
191.07191	1.0
193.08727	0.6
213.09184	0.5
219.06635	36.0
220.06999	1.7
222.01654	0.4
233.08131	1.7
237.07686	1.0
245.08203	2.4
407.18661	100.0
408.18997	9.4
491.08051	0.2
537.48553	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5126
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	14.4
72.99311	1.5
73.02942	2.9
83.01393	1.4
85.02981	3.1
87.00881	4.8
89.02454	12.6
95.01408	1.7
96.96028	6.0
97.02948	4.1
101.02452	11.4
113.02465	4.7
119.03522	3.6
119.52694	1.4
125.02441	4.4
131.52728	1.9
143.03510	2.6
161.04614	3.3
179.05640	3.7
183.13875	5.9
193.12422	2.7
211.13414	100.0
212.13673	3.7
235.08224	4.9
277.21744	53.8
278.22125	3.2
305.08777	2.0
323.10153	2.0
370.23035	1.9
379.12326	9.6
397.13535	41.5
410.48657	2.0
415.14465	8.1
591.26740	6.0
609.27686	4.7
657.34479	2.5
675.35449	2.3
725.19409	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	14.5
73.02956	2.9
81.03487	1.8
83.05077	1.6
85.02965	5.1
87.00883	4.7
89.02446	8.5
96.96025	6.3
97.02962	7.9
97.06599	1.6
99.00900	16.9
101.02465	11.0
107.78503	1.6
109.06593	2.4
113.02460	3.7
116.92868	5.3
119.03534	2.2
120.32891	1.5
125.02467	2.7
125.09701	6.9
142.02731	4.0
161.04552	2.7
163.11299	7.9
181.12343	14.4
199.13304	3.1
207.10300	44.7
209.11798	3.4
225.11340	66.6
226.11697	2.7
235.08212	2.4
243.12363	22.8
244.12631	2.3
255.23338	59.5
256.23676	3.3
281.24976	1.6
313.19131	2.0
313.25891	1.6
379.12628	3.8
397.13629	11.6
431.32074	1.6
437.34021	1.8
442.76755	1.9
456.36346	1.7
605.24500	14.6
606.25153	3.0
623.25452	5.4
814.20868	1.9
861.48651	100.0
862.48895	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	923.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23276	1.8
69.23695	1.3
77.03949	0.4
79.01912	0.4
83.01399	0.5
85.02936	0.9
90.18364	0.3
90.69276	0.3
95.55766	0.3
97.02959	0.3
97.66348	0.3
105.03533	0.5
107.01348	0.3
109.02952	2.0
119.05034	0.7
121.02955	1.3
121.57614	0.3
125.02424	1.2
127.81810	0.4
133.02971	10.9
134.03613	0.4
135.04518	1.1
137.02435	0.6
138.05620	1.5
147.04527	0.9
149.02451	1.5
151.00363	0.7
151.04088	0.5
154.59714	0.4
161.02428	1.1
163.00377	1.6
163.04048	2.7
163.05190	0.5
165.01895	1.4
167.03610	0.4
168.65614	0.4
171.04533	0.4
173.02461	0.4
175.00261	0.4
175.04025	2.8
177.01942	0.8
191.01939	0.4
191.03502	1.7
193.01436	1.1
199.04016	1.3
201.01932	1.2
203.03539	0.4
211.04063	0.4
212.04755	0.4
213.05576	0.5
215.03583	0.5
217.04942	0.5
225.05508	0.5
227.03406	0.6
229.05077	0.5
237.05553	0.4
239.03389	0.6
240.04259	0.8
241.05023	0.6
243.02826	0.4
253.05046	1.0
255.03015	0.6
255.06808	0.6
257.04538	0.4
265.02130	0.4
269.04376	0.9
271.05801	0.5
281.04553	0.4
283.05927	0.5
284.03268	8.1
285.04053	6.6
286.04504	0.6
297.04074	14.4
298.04788	7.8
299.05609	16.5
300.05966	1.3
309.04022	0.5
311.05609	2.2
324.02734	0.5
325.03531	0.9
327.05106	96.1
328.05487	8.7
329.05841	0.9
339.05106	3.1
341.06580	1.0
357.06171	24.6
358.06329	2.2
369.06137	2.7
381.05966	0.5
393.06308	1.3
411.06653	0.5
447.09338	100.0
448.09720	11.8
449.10104	0.9
495.62497	0.4
746.63281	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	16.4
85.02943	4.3
87.00897	3.1
89.02470	11.7
96.96045	3.5
98.20660	12.3
101.02472	9.4
104.69930	2.6
109.27005	2.9
111.76077	2.6
113.02424	4.7
119.03509	7.5
125.02482	6.5
130.36093	2.8
179.05696	6.8
209.11844	100.0
210.12209	4.7
227.12949	27.0
232.45656	3.6
235.08176	5.8
277.21732	59.0
278.21918	3.3
305.08792	3.5
379.12607	11.5
397.13516	76.6
398.13809	4.0
407.18713	5.6
415.14526	10.2
589.24506	6.2
607.26611	4.0
675.36285	6.0
777.64154	3.6
921.46216	28.0
922.46814	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	921.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00335	3.9
69.48678	7.3
73.79019	0.9
91.56645	0.9
93.80070	1.0
101.70417	0.9
109.06612	1.2
116.92889	2.0
125.02471	1.3
132.05812	11.0
133.06630	11.3
147.30779	1.0
151.07680	4.2
163.00386	3.9
164.04790	6.4
175.07652	5.6
176.01172	3.4
187.09616	1.5
187.11302	30.8
188.11653	1.6
219.06642	33.4
220.07034	1.1
245.08122	3.2
277.21759	1.7
351.12561	2.0
397.13632	1.2
407.18683	100.0
408.18900	9.0
501.00815	1.3
851.23352	1.2
921.86591	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.502
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	3.7
68.13129	0.8
69.17393	6.0
69.17812	1.9
89.02473	0.7
89.22212	0.8
96.96014	1.3
109.06580	1.6
116.92850	1.1
131.08661	1.4
132.05817	8.9
133.06625	10.0
136.01617	1.1
137.02502	0.7
149.06114	1.1
149.65173	0.7
151.07655	3.7
160.05185	0.8
161.09697	2.7
163.00383	2.8
164.04819	4.7
175.07652	4.4
176.01122	2.3
187.11301	30.5
188.11713	1.8
191.07248	1.2
201.49088	0.8
213.09192	1.0
219.06639	33.1
220.06937	1.7
233.08264	1.3
237.07700	0.9
245.08141	1.5
351.12296	1.4
394.17816	0.8
403.88126	0.9
407.18674	100.0
408.18961	8.9
425.07309	0.8
499.28665	0.8
797.67377	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00334	0.8
67.13534	0.3
71.01369	0.5
77.03966	0.5
77.33365	0.2
79.01904	0.5
83.01385	0.4
91.71288	0.3
97.02938	0.6
98.20750	0.7
103.64416	0.3
105.03470	0.6
107.01422	0.7
109.02962	1.9
109.36211	0.3
119.05034	0.8
121.02967	1.2
123.04482	0.3
125.02451	1.2
132.02118	0.3
133.02969	10.8
134.03555	0.3
134.14441	0.3
135.04538	1.5
137.02495	0.4
147.04507	1.3
149.02434	1.7
151.00381	0.5
151.04013	0.4
153.53941	0.3
161.02461	0.9
163.00427	1.5
163.04007	2.8
165.01927	1.4
173.02400	0.4
175.04030	2.6
177.01939	0.8
189.02010	0.3
191.03516	1.5
193.01442	1.2
199.04016	1.3
201.01910	1.4
203.03566	0.4
211.04037	0.4
212.04826	0.6
213.05597	1.1
215.03458	0.4
225.05519	1.0
227.03488	0.5
227.07202	0.5
229.91809	0.3
231.06686	0.4
237.05627	0.5
240.04317	1.1
241.04997	0.8
243.02951	0.7
253.05089	1.2
255.02963	0.7
255.06610	0.5
256.03772	0.5
257.04590	0.3
269.04568	1.2
271.06317	0.5
281.04587	0.4
284.03308	8.8
285.04053	7.1
286.04330	0.5
297.04065	14.1
298.04791	8.4
299.05643	16.2
300.06006	1.1
309.04138	1.0
311.05688	2.2
324.02878	0.4
325.03555	1.2
327.05133	100.0
328.05487	7.2
339.05026	2.8
340.05563	0.4
341.06680	0.9
357.06201	25.8
358.06570	1.7
369.06207	2.2
372.80359	0.3
393.06265	0.8
411.07104	0.4
429.17645	0.6
447.09363	98.1
448.09729	9.5
681.74805	0.4
688.26544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
64.84540	2.2
66.73095	2.2
71.01395	17.8
79.95753	2.3
83.05048	3.2
87.00861	3.8
89.02474	11.9
93.04086	2.5
96.96021	6.2
101.02460	12.4
104.17902	2.3
106.41577	2.5
106.61686	2.4
113.02459	3.9
116.92861	3.9
119.03542	4.4
125.02478	5.8
129.24324	2.5
143.03499	3.8
161.04579	4.5
179.05618	10.0
182.93811	2.6
199.09892	3.9
209.11845	100.0
210.12170	4.7
227.12904	24.7
235.08125	5.5
235.29930	2.6
277.21722	51.5
281.34973	2.7
282.50156	3.2
323.09760	4.4
379.12451	16.5
397.13577	57.8
415.14493	14.5
589.25220	7.3
607.26056	7.3
921.46637	25.1
922.45862	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	919.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
65.46114	0.6
68.99807	2.2
69.03463	4.5
71.01391	26.7
72.75055	0.6
72.99303	2.4
73.02952	2.3
75.00886	16.9
79.95750	0.8
83.01390	4.3
85.02966	12.9
87.00871	1.3
89.02446	9.4
91.17805	0.7
95.01398	4.1
96.96018	15.9
97.02957	9.9
98.95602	2.1
99.00889	12.6
101.02457	12.1
112.98548	0.8
113.02464	9.1
115.00393	1.0
119.03519	2.5
125.02458	13.2
138.03221	0.8
141.57515	0.7
143.03568	0.8
161.04645	0.8
163.11426	0.7
191.26505	0.7
197.11836	1.0
209.11842	2.7
210.12213	1.2
211.13438	1.1
229.04012	0.8
287.66037	0.7
291.19870	1.0
309.20648	1.7
310.21103	1.0
311.21689	1.0
318.65515	0.8
341.23297	0.9
397.13382	2.3
397.45950	0.7
398.13751	1.3
551.89221	0.8
634.22589	0.8
816.71436	0.9
919.47064	100.0
920.47369	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	919.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91195	1.3
69.03471	2.1
71.01389	100.0
72.01714	1.5
72.99331	2.0
73.02963	5.1
76.82738	1.2
81.03464	1.6
83.01428	2.5
85.02944	7.0
87.00902	6.1
89.02459	17.8
95.01421	2.9
96.96017	2.5
97.02956	4.3
99.00897	2.9
99.75070	1.3
101.02465	16.5
109.02957	1.1
109.06622	5.2
113.02485	7.7
118.93251	1.5
119.03527	3.0
123.04550	1.4
125.02442	6.8
125.09744	2.0
127.11318	2.7
142.02690	1.2
143.03493	3.9
161.04558	2.6
163.11317	2.4
171.10294	47.3
172.10619	1.6
179.05643	5.2
181.12361	2.1
199.09792	11.7
199.13461	2.7
201.11354	11.3
207.10229	17.0
209.11952	1.6
221.06732	2.6
225.11345	12.8
235.08344	6.7
243.12421	2.5
253.09418	1.9
277.21756	68.0
278.22012	4.6
281.04489	4.5
293.04657	2.2
305.08704	1.9
329.54767	1.4
349.90955	1.5
379.12445	5.2
397.13516	34.9
398.13919	3.3
405.17084	12.9
406.16946	1.7
415.14673	9.9
441.87610	1.4
605.24426	1.7
623.25293	2.2
760.54889	1.4
883.46545	8.8
884.47662	5.0
901.48340	2.0
919.49310	13.3
920.49921	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	919.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	10.6
78.95903	6.4
81.27102	4.6
89.02471	7.7
96.96027	36.6
97.02962	7.9
99.00861	10.6
100.98652	5.2
113.53843	4.5
125.02437	9.5
134.12396	5.0
163.11243	5.5
177.20581	4.7
181.12302	10.6
207.10286	25.5
209.11775	7.6
225.11397	52.6
243.12364	18.4
243.43297	5.6
276.00778	5.4
277.21750	42.6
278.21997	5.2
397.13431	11.8
410.55176	5.7
553.09784	5.0
605.24597	24.2
623.25757	29.7
624.25989	5.0
799.56274	5.2
883.46912	100.0
884.46869	20.2
887.47803	5.9
919.44653	63.8
920.45648	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	919.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
65.58482	6.1
68.80220	6.1
71.01376	14.0
71.54520	7.0
82.95410	7.3
88.98811	23.7
96.96031	47.3
97.70261	8.4
99.00875	10.7
113.02463	7.8
143.50713	6.1
176.90239	6.3
181.12370	13.6
207.10220	21.0
211.13403	16.7
225.11357	48.8
243.12369	11.8
264.02621	6.7
277.21667	46.7
397.13480	22.9
605.24072	17.7
623.25403	8.4
883.47028	100.0
884.47687	20.9
919.44562	76.1
920.44751	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	919.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18642	3.9
71.01395	1.8
73.02950	1.7
83.01393	1.0
85.02949	1.6
97.02952	0.5
101.02466	1.8
104.77306	0.4
105.03458	0.5
107.01415	0.5
109.02959	2.2
113.02453	0.4
119.03540	0.3
119.04990	0.8
121.02947	1.2
125.02441	1.3
133.02968	10.6
135.04546	1.2
147.04492	1.3
149.02438	1.7
149.04572	0.6
151.00363	0.6
151.03973	0.6
161.02452	1.0
161.04553	1.0
163.00385	1.3
163.04007	3.2
165.01955	1.8
168.86685	0.4
175.04024	2.1
177.01949	1.1
191.01990	0.7
191.03517	1.4
193.01459	1.5
199.04054	0.9
201.01920	1.2
203.03522	0.5
211.04036	0.6
212.04716	0.5
213.05595	1.0
215.03560	0.4
217.05087	0.4
218.76732	0.4
225.05716	0.5
227.03622	0.6
227.07198	0.7
229.05067	0.4
233.19812	0.4
240.04257	0.9
241.04993	0.8
243.03127	0.5
253.05176	1.0
255.02980	0.6
255.06624	0.8
269.04626	1.1
271.06015	0.6
281.04605	0.5
284.03256	8.9
285.04047	6.1
297.04086	13.9
298.04800	8.7
299.05615	16.3
300.05774	1.9
309.04123	0.7
311.05695	2.2
325.03497	1.4
327.05118	98.6
328.05447	8.4
328.09164	0.7
329.05801	0.4
339.05121	3.4
341.06360	0.5
357.06189	26.7
358.06485	2.0
369.06155	3.0
393.06030	0.9
411.07568	0.6
433.67029	0.4
447.09357	100.0
448.09647	10.1
666.33844	0.5
899.01605	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.382
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51162	6.3
71.01017	1.9
71.01391	27.9
72.99312	1.8
73.02954	40.2
83.01396	10.8
85.02972	4.9
85.03454	1.1
86.02666	1.0
89.02453	8.8
95.01408	2.3
96.96016	3.1
99.00855	1.1
101.02458	32.9
113.02457	10.1
119.03519	3.3
125.02454	1.5
131.03513	2.2
133.88911	1.1
143.03488	1.7
149.04558	2.3
161.04573	5.2
193.12328	5.2
373.18533	5.4
415.19760	100.0
416.20200	9.1
459.18442	1.0
798.82178	1.3
830.53229	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
63.81504	0.2
65.00343	0.2
70.96764	0.2
71.54954	0.2
76.77829	0.2
76.78432	0.1
78.03280	0.1
81.03468	0.4
83.01395	0.2
84.00578	0.2
85.02942	0.4
91.12663	0.2
91.28689	0.1
96.96023	0.5
107.01408	0.3
107.98076	0.2
113.02486	0.2
123.00867	0.2
125.02455	0.7
125.06078	0.4
133.02989	0.4
134.03732	0.3
141.15810	0.2
148.01625	0.2
149.02429	0.2
151.00369	0.8
165.09245	2.4
177.86247	0.2
191.02086	0.3
209.08214	11.2
210.08537	0.3
211.04088	0.2
227.03432	0.3
255.03018	4.3
256.03729	2.0
269.04730	0.4
269.17294	0.2
283.02487	3.2
284.03287	52.5
285.03625	3.5
297.04102	1.0
298.04776	1.8
299.05630	100.0
300.05960	7.3
321.07733	0.2
326.04556	0.3
341.06686	1.8
371.13507	1.4
443.09875	0.5
461.11252	0.3
488.09576	1.4
503.11993	8.4
504.12140	1.2
614.30511	0.2
644.68176	0.2
919.28094	0.2
954.38104	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5125
Annotation	Unknow
Peak:m/z	Relative Intensity
64.88340	1.8
69.03477	2.1
71.01385	10.9
71.54433	3.9
73.02942	2.2
83.01427	2.2
83.05048	3.4
84.02170	1.7
85.02943	3.6
87.00896	2.6
89.02445	10.3
96.96021	3.1
101.02455	9.8
113.02444	5.3
119.03522	4.0
125.02449	4.2
129.01973	3.5
161.04536	2.4
163.11249	3.3
165.12865	2.3
172.97102	1.8
179.05568	3.2
190.67427	1.7
200.29739	1.5
209.11842	100.0
210.12187	5.6
227.12930	13.5
235.08276	3.8
277.21747	47.4
278.22058	4.9
347.67261	1.7
379.12509	7.2
397.13507	36.9
415.14499	8.1
567.40894	1.8
577.71155	2.0
607.26440	2.9
674.68878	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	917.513
Annotation	Unknow
Peak:m/z	Relative Intensity
65.48766	1.3
71.01392	18.0
73.02970	2.3
80.02701	1.5
81.03446	1.8
82.24919	1.2
83.01403	1.4
83.05015	3.3
84.26089	1.2
85.02962	3.3
87.00883	3.7
89.02447	12.4
96.96037	7.0
97.02965	2.2
99.00858	1.8
101.02450	10.6
113.02453	7.0
116.93008	1.4
119.03519	3.0
125.02483	6.4
133.29308	1.2
143.03476	2.6
161.04543	3.9
163.11263	3.8
165.12860	2.3
179.05560	4.0
201.11415	2.6
209.11842	100.0
210.12222	5.5
221.06735	1.7
227.12900	11.2
235.08293	5.5
259.15549	2.6
277.21762	54.6
278.22107	3.1
287.07834	1.9
307.22812	1.3
323.10040	1.3
379.12473	9.9
397.13565	42.3
398.13727	2.5
415.14679	11.2
917.48651	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	917.4762
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	1.7
71.01389	18.3
71.08730	0.7
71.09087	0.9
72.99320	1.5
73.02969	3.1
80.02676	1.7
81.03462	3.0
83.01405	1.8
83.05036	6.2
84.02170	1.0
85.02959	4.5
87.00900	3.8
89.02457	15.3
95.01394	0.7
95.05042	0.8
96.96024	16.1
96.96973	0.7
97.02953	2.7
97.06639	0.7
98.40932	0.5
99.00889	1.2
101.02450	12.9
109.06605	1.3
111.00857	0.5
111.08169	8.5
112.98560	0.8
113.02472	6.8
119.03495	3.7
125.02467	6.3
125.06084	0.7
125.09671	0.8
127.03986	0.4
127.07688	1.3
131.03557	0.7
135.08179	0.9
141.01904	0.6
143.03532	2.6
147.11781	0.6
149.04591	0.5
151.11331	0.9
153.12796	0.6
161.04533	3.1
163.11322	5.6
165.12860	3.6
167.03519	0.7
169.12389	3.8
169.72713	0.5
171.10304	2.2
179.05652	4.3
181.12389	1.8
183.13858	0.7
191.10765	0.7
193.12366	0.6
197.11852	49.4
198.12181	2.0
199.13400	3.2
199.50832	0.5
201.11406	0.7
207.10258	1.1
209.11847	100.0
210.12131	4.8
211.13420	6.7
221.06703	1.9
225.11325	1.7
225.15028	0.4
227.12906	14.5
235.08290	4.6
240.31380	0.4
247.20642	0.4
251.12985	0.4
253.09309	0.9
258.22797	0.5
263.20200	2.8
265.18182	1.1
273.18771	1.0
287.07816	1.4
291.19696	17.6
292.20126	0.7
293.21237	2.9
305.08875	2.1
307.18991	0.6
309.20740	84.7
310.21121	5.7
323.09900	1.0
325.20255	1.0
333.20703	0.5
341.23407	0.7
379.12384	2.7
397.13541	37.3
398.13983	2.3
415.14615	16.7
416.14880	0.8
418.27438	0.5
501.32104	1.0
607.26282	1.7
689.33917	1.0
707.35419	2.6
707.46051	0.5
899.47229	1.1
917.46533	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26526	6.7
71.01389	24.9
72.89555	6.1
89.02441	16.5
96.96017	39.1
101.02500	16.4
104.08414	6.8
115.39906	6.4
125.02489	10.8
223.13425	100.0
272.70639	7.4
277.21707	61.9
325.36469	8.0
379.12344	18.8
397.13452	69.8
415.14313	10.3
603.26569	27.9
621.27747	10.5
881.48822	20.3
917.46753	76.0
918.46704	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	915.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	2.6
71.01389	59.7
71.02235	3.2
71.02591	2.3
72.99326	6.3
73.02960	14.3
74.15829	1.5
75.00887	3.4
75.34050	1.7
79.81049	1.5
83.01409	9.6
85.02968	30.2
87.00893	6.7
89.02457	17.6
94.11694	1.3
95.01395	5.7
96.96026	8.9
97.02967	2.2
99.00896	6.1
101.02459	41.6
111.00910	5.8
113.02465	27.2
119.03517	7.4
124.01693	2.5
125.02432	7.1
129.02005	2.0
137.02423	2.0
143.03554	3.4
159.02953	2.5
159.55029	1.6
161.04665	2.7
183.13924	2.0
191.02031	1.8
191.36348	1.3
208.76933	1.4
285.03979	2.1
343.28622	3.1
386.87628	1.5
404.10608	1.7
487.33130	1.9
505.33932	5.4
631.37091	2.1
649.38293	13.1
667.39703	8.6
668.39655	2.3
685.73810	1.9
811.43359	100.0
812.43323	19.2
829.44482	50.8
830.44922	10.0
871.45422	36.8
872.45532	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	917.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99826	0.5
69.03453	3.1
69.31710	3.2
71.01389	75.8
72.01734	1.3
72.02164	0.6
72.99319	3.0
73.02954	100.0
74.03283	1.6
75.00880	1.8
81.03458	1.1
83.01395	33.0
84.01738	0.8
85.02959	10.9
87.00896	2.4
89.02452	14.0
95.01402	3.6
96.62769	0.3
97.02972	1.5
99.00906	1.5
99.04517	0.7
101.02454	88.3
102.02798	2.3
113.02466	33.7
114.02822	0.9
118.22575	0.4
119.03510	10.8
125.02443	3.5
131.03514	10.2
131.30823	0.4
143.03520	11.1
147.03006	1.2
148.38278	0.4
149.04573	21.6
150.04883	0.6
155.03539	3.4
161.04572	32.6
162.04924	1.1
179.05574	0.5
191.01997	0.5
203.05661	3.8
221.06688	11.4
222.06990	0.4
222.74419	0.4
230.16492	0.4
299.05594	0.8
373.22382	0.7
413.21866	0.7
415.23447	2.3
459.09518	0.6
672.55255	0.4
745.55389	0.4
788.40381	0.4
875.20648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	1.6
68.99817	3.1
70.71520	2.1
71.01406	0.7
74.59184	0.6
78.39093	0.6
83.01398	1.1
83.02489	0.7
88.98811	3.2
91.01900	4.1
96.96020	0.8
109.15822	0.7
110.00123	6.5
113.49467	0.6
119.05048	7.9
123.00906	1.4
127.38384	0.6
128.06920	0.6
133.06628	2.5
135.04482	0.9
135.83797	0.8
137.99614	6.3
141.99075	0.9
149.02441	1.0
150.66116	0.7
151.00385	5.0
156.00603	0.7
157.06645	0.7
161.06076	1.1
163.00404	8.9
163.04022	10.3
164.04291	0.7
165.99080	1.1
177.05600	2.8
178.06384	7.2
178.99895	1.5
179.07028	0.8
188.04755	1.1
190.99841	1.3
191.03545	7.5
191.07141	5.9
203.07198	1.4
205.05055	3.1
206.05876	5.0
209.11824	0.8
216.04294	1.0
217.05003	1.0
219.03140	0.8
219.06627	10.9
233.04614	2.6
234.05344	31.5
235.05716	2.3
240.04562	0.7
247.06145	4.0
272.06815	0.8
285.07803	0.9
297.07593	3.0
297.11334	2.1
313.07159	1.3
323.59250	0.8
325.07184	7.7
325.10907	1.9
340.13263	1.5
341.14038	3.2
349.33810	0.7
353.10379	3.7
367.12094	1.1
368.12662	79.9
369.13055	8.5
437.19720	100.0
438.19989	11.3
924.75256	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
71.54040	2.5
79.37822	1.7
81.03489	2.6
81.97098	1.6
83.01419	4.2
85.02953	1.8
93.03468	5.1
95.01369	2.2
95.05029	1.9
96.96047	1.8
96.96912	1.4
97.02950	2.2
109.02972	17.7
109.24943	1.5
111.04517	2.4
111.21220	1.7
121.02969	6.7
123.00882	4.5
123.04601	2.0
124.01668	4.1
125.02466	98.1
126.02818	4.2
127.29243	1.5
131.04974	2.0
133.02939	4.3
135.04547	2.5
137.02457	25.0
138.03020	1.8
139.04018	10.5
147.00912	1.8
149.02464	14.1
151.04054	8.8
159.04446	2.0
161.02435	3.7
161.06094	1.8
163.00500	1.9
163.03995	6.1
164.01126	4.4
165.01947	12.7
167.03471	13.4
175.04002	11.5
176.01216	2.0
177.01947	100.0
178.02325	6.6
179.03539	7.3
187.03981	9.2
191.03549	4.0
193.05046	1.6
199.04028	5.5
201.05589	2.4
203.03548	3.2
205.04961	2.1
211.03952	3.6
214.02730	1.7
215.03510	3.0
217.01439	2.0
217.05078	3.7
219.03044	3.9
219.06615	3.2
221.04602	3.1
227.03474	3.1
229.05003	6.6
243.02940	16.9
244.03401	2.3
253.05096	2.0
255.02995	28.9
255.07094	1.7
256.03729	7.3
257.04480	6.2
259.06125	2.3
261.04025	16.2
261.06738	1.8
261.07828	1.9
262.04498	2.6
269.04550	5.4
273.03931	7.1
281.04608	2.3
282.01727	2.2
283.02554	13.4
285.04001	6.6
297.04126	9.5
303.05026	14.3
305.06769	24.0
315.05240	1.9
323.05563	2.0
355.08084	2.5
391.04639	6.0
397.09396	2.6
409.05759	3.0
423.07260	71.7
424.07574	8.2
441.08408	12.6
442.08597	1.9
451.06644	2.2
463.06717	2.0
465.08292	2.8
473.08658	3.6
475.79300	1.6
483.09442	10.0
483.48401	1.6
515.09943	5.7
541.07825	31.5
542.07953	5.3
559.08881	22.1
560.09180	4.5
564.49744	1.8
577.10016	18.3
578.09955	2.0
601.10114	11.8
602.10645	2.0
609.12579	9.3
619.10986	6.2
709.12598	2.0
716.49231	1.7
727.13049	17.1
728.13501	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	911.5238
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03482	0.4
69.42841	0.6
69.43249	1.8
71.01394	4.4
72.99337	0.6
73.02970	0.5
75.38622	0.3
83.01411	0.4
83.05041	0.4
85.02975	2.7
87.00903	0.4
89.02452	3.1
95.01357	0.7
96.96016	2.0
99.00856	0.3
101.02449	2.5
102.11931	0.3
105.23758	0.3
108.44930	0.3
111.08172	1.2
113.02455	3.1
119.03513	0.8
120.01265	0.8
124.53249	0.3
143.03511	0.5
161.04535	1.4
161.05772	0.3
165.12860	22.0
166.13205	0.9
166.15662	0.3
167.03580	0.3
179.05634	0.8
180.38486	0.3
181.12512	0.4
183.13918	57.2
184.14259	2.8
191.10931	0.4
197.15488	0.9
207.13953	1.4
209.11806	2.0
225.14995	0.8
227.12906	100.0
228.13234	5.1
251.12917	3.9
252.13361	0.3
269.14044	1.1
281.14008	0.4
285.04077	2.1
286.04294	0.3
293.13931	0.7
299.14963	0.4
319.75592	0.3
329.16040	1.0
353.16138	0.8
389.18216	29.3
390.18417	2.2
911.38831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02415	0.7
77.85323	0.4
81.89871	0.4
83.01386	0.5
85.02972	0.7
95.01402	0.4
98.20755	0.8
107.01424	1.0
113.02488	0.6
125.02393	0.4
133.02985	2.4
134.03777	0.5
145.79535	0.4
149.02452	1.0
151.00371	1.9
155.04825	0.4
163.00496	0.6
165.05551	0.6
170.08809	0.4
175.04008	0.6
199.04027	1.1
210.31953	0.4
211.03871	0.6
217.05014	0.7
227.03516	0.7
229.68506	0.6
241.05099	0.6
243.03127	0.6
253.05223	0.6
255.03004	0.9
256.03702	2.2
257.04391	0.5
267.07272	0.7
269.04535	0.6
284.03302	39.0
285.04074	81.8
286.04440	5.4
297.04105	1.8
298.04883	6.8
299.05371	0.7
311.05850	0.5
327.05154	2.2
327.51413	0.4
341.06656	5.0
342.06982	0.5
353.06952	0.5
371.07700	1.6
417.08276	0.5
431.10031	0.6
447.09372	100.0
448.09790	9.8
461.11124	7.7
483.04065	0.4
646.51080	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
68.57641	0.3
71.01395	1.6
73.02947	1.5
75.00918	0.4
77.03983	1.2
79.01912	0.9
81.15873	0.3
83.01372	0.6
83.85319	0.3
85.02961	1.8
89.02461	0.6
90.94315	0.3
93.03471	1.3
98.93800	0.3
99.00925	0.6
101.02451	1.5
105.03490	0.7
113.02460	1.0
117.03490	5.9
119.05053	0.9
121.02969	2.0
123.04491	0.3
128.51891	0.3
135.04512	1.6
145.02992	0.5
149.02444	1.3
159.04541	1.6
161.02469	3.0
161.04543	0.8
162.02701	0.4
163.00327	0.5
163.04050	3.1
165.01990	0.5
173.02434	0.6
179.03484	0.6
191.03500	1.0
195.08228	0.5
197.06099	0.8
203.03482	0.8
211.07629	0.6
215.07219	0.7
221.06438	0.4
225.05659	0.4
239.07103	1.7
268.03757	2.1
269.04572	1.8
281.04639	2.0
282.05246	1.4
283.06146	40.8
284.06525	3.6
285.06781	0.6
293.04581	1.7
295.06137	1.0
309.04285	0.4
311.05646	73.2
312.06015	8.2
313.06046	1.5
314.04120	0.5
323.05701	2.8
324.05518	0.4
326.21313	0.3
341.06711	5.6
353.06653	0.7
371.20697	0.7
389.21768	1.3
413.29755	0.4
414.65652	0.3
431.09863	100.0
432.10196	14.2
433.10501	3.1
475.17542	0.4
537.02051	0.4
606.62604	0.3
775.78876	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	1.8
69.50943	7.0
69.51375	4.9
71.01392	75.1
72.99311	2.1
73.02951	25.3
81.03401	1.7
83.01403	9.6
85.02962	44.2
87.00893	3.9
89.02465	9.7
95.01403	6.8
96.96021	7.3
97.02968	3.8
99.00887	9.6
101.02453	53.1
101.03119	3.2
113.01687	1.5
113.02463	32.2
119.03540	1.9
125.02515	2.6
133.03087	2.0
143.03534	4.1
159.03026	6.6
161.04564	37.0
177.46355	1.5
209.11766	2.9
209.15549	3.7
285.03958	2.2
297.04211	1.8
298.04797	1.9
303.31750	1.6
315.18134	5.5
327.05112	8.2
353.10165	2.2
353.19705	5.2
357.06253	2.1
371.20764	75.6
372.21042	4.5
397.13562	2.4
413.21808	100.0
414.22183	8.1
447.09277	12.8
447.22324	48.7
448.09506	2.3
448.22952	3.9
457.20871	3.0
479.24063	1.9
564.85205	1.8
592.07019	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	905.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50957	0.3
71.01380	1.0
71.55096	0.4
77.03981	1.5
79.01907	1.0
85.02950	1.0
93.03458	1.5
96.96002	0.6
101.02451	1.0
105.03452	0.5
107.01396	0.5
113.02468	0.6
117.03472	7.1
119.05039	0.7
119.95158	0.4
121.02953	1.6
123.08369	0.4
133.01459	0.3
135.04544	1.8
137.02388	0.3
145.02966	0.4
147.04573	0.8
149.02417	1.9
159.04504	1.7
161.02515	2.8
163.04063	3.0
165.01949	0.6
165.05510	0.5
179.03479	0.7
191.03545	1.4
193.01402	0.6
197.06093	1.0
203.03520	0.8
209.02954	0.4
211.07579	0.4
215.07050	0.5
222.36284	0.3
224.04802	0.6
239.07100	1.4
268.03802	1.8
269.04547	1.7
281.04462	2.1
282.05325	1.1
283.06146	38.4
284.06543	3.1
293.04587	1.8
295.06033	0.6
297.86783	0.5
309.04062	0.5
311.05646	71.0
312.06000	6.1
323.05560	2.5
341.06653	5.6
353.06500	0.6
397.09497	0.4
429.21283	0.6
431.09854	100.0
432.10223	10.0
547.39606	0.4
653.12378	0.5
679.75446	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4891
Annotation	C21217
Peak:m/z	Relative Intensity
63.60612	10.6
69.03464	10.9
71.01389	48.0
71.54741	17.4
71.55096	13.0
73.02938	13.6
85.02977	20.9
89.02449	31.1
93.56583	12.1
96.96021	37.7
101.02453	39.6
113.02505	14.7
125.02399	17.2
171.10301	58.8
201.11385	73.1
207.10347	16.6
209.11894	100.0
225.11418	25.9
226.11656	14.2
253.09250	25.9
277.21768	98.4
278.22125	38.7
289.17932	21.5
307.19037	20.5
341.23291	35.4
379.12387	24.3
397.13696	96.0
398.13861	20.2
415.14767	19.5
903.48834	62.4
904.49371	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01400	8.1
71.54120	1.1
71.54537	2.7
75.00880	1.2
75.47259	1.0
81.03446	1.5
83.05042	2.4
85.02972	5.7
85.77193	1.4
87.00887	3.3
89.02452	5.7
95.01330	1.1
96.96026	6.9
99.00896	1.8
101.02475	6.0
113.02486	3.8
119.03500	2.6
125.02446	3.8
137.02455	1.5
142.28194	1.1
150.06891	1.4
161.04544	2.6
163.11319	2.2
165.01852	1.2
165.12808	1.3
177.01999	2.1
179.05644	3.1
181.12413	1.0
191.01924	1.6
193.05183	1.4
201.11392	1.3
209.11844	100.0
210.12183	5.0
227.12915	26.3
235.08202	1.6
287.07791	1.6
323.09842	1.7
379.12686	6.7
397.13538	29.7
398.13846	3.1
415.14523	9.5
589.24988	6.0
590.25146	1.4
607.25909	9.2
655.41107	1.7
697.42285	1.6
718.59515	1.4
720.76959	1.1
799.37488	3.4
835.38910	1.9
846.21399	1.4
903.40149	17.9
904.39453	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	902.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02399	1.2
65.00330	5.4
68.99820	0.4
69.50904	1.1
71.01389	0.4
71.42250	0.2
76.70026	0.2
83.01396	1.0
83.83762	0.2
89.47333	0.2
96.96034	0.6
98.19893	0.2
105.07095	0.4
106.04242	0.6
107.01397	1.9
107.05043	0.4
108.02189	0.3
109.02962	0.4
109.06606	2.0
119.05035	1.6
119.08675	0.2
120.05442	0.2
122.03776	0.2
123.17928	0.2
124.01647	0.2
129.07101	0.3
131.05035	0.2
131.08633	1.0
132.02190	0.3
132.05829	10.8
133.02989	0.5
133.06618	11.3
134.06985	0.3
135.04504	0.6
136.01703	0.3
137.02457	0.5
147.08186	0.4
148.01663	0.4
149.02467	0.2
149.06099	0.6
149.09711	0.2
149.99614	0.4
151.00383	5.2
151.07668	4.0
152.08005	0.2
159.04536	0.2
161.02469	0.4
161.09747	1.6
163.00244	0.3
164.01157	0.3
164.04805	6.9
165.05095	0.3
167.16823	0.2
171.10283	0.3
173.05974	0.2
175.04083	0.2
175.07655	4.8
176.01178	3.3
176.07962	0.2
177.01956	1.3
183.50308	0.2
185.09760	0.3
187.11302	33.5
188.11653	1.7
189.02019	0.2
189.09215	0.2
190.02687	0.2
191.07149	0.7
193.08707	0.8
199.03987	0.3
201.11101	0.2
211.11050	0.2
213.09201	0.8
219.06633	34.4
220.06999	1.6
222.01707	0.2
233.08188	2.4
237.07776	0.4
245.08188	1.1
253.12320	0.3
255.10339	0.7
255.17596	2.5
255.23349	0.3
256.17847	0.3
287.12918	0.8
295.06113	0.3
337.10727	0.2
338.11887	0.2
363.19672	0.7
389.17319	0.2
407.18665	100.0
408.19012	10.0
480.31024	0.3
531.87213	0.2
748.77515	0.2
853.46478	0.2
902.47095	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
65.28184	21.1
65.40041	17.7
69.95121	64.2
71.86644	21.2
79.54220	20.3
85.51611	22.2
93.28534	20.2
96.96037	100.0
108.86169	19.7
116.92873	59.9
196.42267	23.8
277.21744	44.0
278.22195	25.8
279.22375	24.3
341.23337	23.0
342.23544	36.0
354.17136	21.2
394.76730	23.6
808.63660	22.3
838.13519	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	901.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99574	5.1
69.03447	1.5
70.39462	1.2
71.01388	17.4
72.99323	2.0
73.02944	2.6
74.68542	1.1
78.95939	1.3
79.95727	1.4
80.83586	1.1
81.03474	2.8
83.01406	2.3
83.05032	7.1
85.02958	4.3
87.00909	3.8
89.02452	15.8
95.01382	1.7
95.05017	1.5
96.96022	29.3
96.96983	1.4
97.02964	3.7
97.06615	1.2
99.00893	2.2
100.72379	1.2
101.02451	13.6
112.98574	5.5
113.02461	10.3
119.03531	4.2
121.02966	1.5
125.02485	8.3
141.19124	1.1
143.03539	3.5
161.04605	2.6
163.11301	4.8
165.12862	2.4
167.03499	2.8
171.10310	2.8
177.01868	1.5
179.05611	5.2
183.13895	2.6
193.12331	1.5
195.13885	7.2
197.11873	4.6
209.11847	100.0
210.12213	4.2
211.13416	22.1
212.13623	1.2
214.81371	1.3
216.73116	1.3
217.07217	1.4
221.06776	1.3
223.13464	4.7
227.12915	14.2
228.13408	1.5
235.08318	4.0
275.20306	7.5
291.19598	5.2
293.21271	90.5
293.68369	1.3
294.21506	7.1
305.09006	2.0
309.20776	16.3
379.12424	5.6
397.13544	38.0
398.13901	2.0
415.14526	15.7
460.64749	1.5
607.26593	1.7
690.46088	1.6
901.46173	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
62.89154	15.8
67.44350	16.0
68.20766	14.2
69.18014	65.4
69.18443	100.0
70.81532	14.3
85.79931	15.0
92.92810	19.2
114.02179	15.7
174.38324	14.4
181.28400	18.1
190.92021	16.3
277.21631	24.5
278.22079	27.8
325.18066	16.5
341.23389	35.2
342.23682	28.1
343.23950	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	899.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
65.63726	0.5
67.01902	0.6
68.14940	0.6
69.03461	5.4
70.95248	0.8
70.95573	1.1
71.01392	15.0
71.05020	1.6
72.99327	1.2
73.02957	2.1
81.67589	0.6
82.95380	0.6
83.01401	1.6
85.02962	3.9
87.00903	2.5
89.02468	7.7
95.01432	1.2
97.02954	2.5
97.06598	1.6
100.97345	0.6
101.02464	7.8
103.49651	0.6
113.02481	3.6
119.03497	1.4
123.08150	0.6
124.42722	0.6
125.02456	1.9
125.09723	1.9
143.03474	0.8
151.11298	1.9
153.12981	1.1
161.04562	1.1
161.09692	3.1
171.10229	1.0
179.10765	5.4
188.01671	0.6
197.11850	34.8
198.12189	1.4
211.44301	0.6
221.06667	1.8
223.09692	0.9
241.10869	1.6
259.08084	0.5
277.21744	31.2
278.22040	2.2
293.21198	1.0
354.11081	0.8
397.13474	3.4
423.18170	1.1
621.24078	0.7
881.46539	0.7
899.46613	100.0
900.46863	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	899.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03472	3.7
69.35590	4.4
71.01392	13.9
71.05026	2.0
72.99301	1.7
73.02944	2.2
83.01385	1.0
85.02957	2.9
87.00888	2.5
89.02464	8.1
95.01401	1.5
97.02946	2.0
97.06610	1.0
99.00913	1.4
101.02463	9.5
111.00838	0.8
113.02463	4.1
119.03516	1.7
121.40595	0.6
123.08148	0.6
125.02458	2.0
125.09721	1.7
143.03551	0.9
151.00417	1.0
151.11311	1.6
153.12845	1.5
161.04572	0.8
161.09723	1.5
169.12321	0.9
179.05685	0.9
179.10803	3.4
188.77827	0.7
197.11845	62.6
198.12187	2.7
218.75337	0.6
221.06671	1.9
223.09785	1.8
235.08197	0.9
241.10855	3.9
277.21747	18.9
278.22083	1.7
304.82446	0.7
307.08093	0.8
330.94281	0.7
343.61475	0.7
354.67352	0.7
397.13635	3.8
407.17883	0.9
415.14584	1.3
491.17810	1.2
639.24518	1.2
731.56000	0.8
881.45044	1.5
899.46552	100.0
900.46936	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	899.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
67.76113	1.0
68.22001	0.9
68.70445	1.0
69.46895	5.1
71.01393	9.7
73.02960	2.3
78.95912	1.1
80.02689	1.6
81.03455	1.4
83.01391	1.6
83.05032	3.9
85.02959	6.0
87.00886	2.6
88.98796	1.2
89.02471	7.2
91.01148	0.9
93.03439	1.1
93.29820	0.9
95.01440	0.9
96.96030	4.3
97.02950	1.0
98.20647	1.3
101.02460	8.8
113.02460	5.9
119.03545	1.8
125.02467	4.3
125.72236	1.0
135.08128	1.1
143.03493	1.0
151.75053	0.9
161.04576	2.2
163.11284	3.8
165.12856	2.7
167.03468	1.1
179.05571	2.0
191.01947	1.1
191.10805	1.5
209.11845	100.0
210.12228	5.7
227.12895	15.1
228.13260	1.0
235.08249	1.9
266.51300	1.0
320.09460	1.6
379.12521	5.8
382.58075	0.9
383.88391	0.9
397.13541	20.8
398.14041	2.4
415.14536	4.1
496.23041	0.9
507.00153	0.9
589.25311	1.8
607.26160	3.4
611.85455	1.3
611.97241	1.0
713.24518	1.0
790.12494	1.1
799.37585	1.3
841.23181	1.0
846.48743	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
68.97793	0.5
69.50653	3.7
77.03973	1.3
79.01885	0.7
85.02967	8.3
93.03461	1.3
98.66427	0.5
117.03474	6.1
121.02963	1.0
126.88959	0.6
129.02002	1.0
135.04503	1.4
147.02994	1.2
149.02428	1.7
159.04472	1.1
161.02455	2.4
163.04007	2.3
179.03603	0.6
191.01962	5.3
191.03499	1.1
197.06126	0.8
209.03040	2.2
239.07143	1.7
257.08246	0.6
268.03793	2.6
269.01837	0.5
269.04636	1.9
281.04532	1.7
282.05069	0.9
283.06146	35.6
284.06595	2.7
293.04544	1.7
295.06265	1.1
311.05649	68.6
312.05933	6.7
323.05637	1.9
341.06677	6.6
342.07114	0.6
370.74271	0.5
414.20493	0.7
431.09866	100.0
432.10120	9.8
435.24850	0.6
453.14993	0.6
467.12064	1.2
593.72510	0.7
748.05066	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5076
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99821	1.4
69.03441	2.6
70.77318	2.1
71.01392	100.0
72.01724	1.4
72.99290	2.8
73.02943	4.7
75.00893	2.1
81.03446	2.5
83.01399	2.3
83.05045	3.6
85.02967	7.1
87.00880	5.5
89.02461	20.9
96.96003	4.0
97.02968	7.1
99.00874	4.5
101.02461	20.9
109.06610	5.1
113.02457	8.8
119.03539	7.8
125.02467	8.1
125.09698	2.2
127.11246	2.1
131.03491	1.3
142.02620	1.9
143.03502	2.3
155.10764	1.9
161.04538	4.3
163.11296	2.5
165.09232	1.4
171.10292	48.7
179.05605	3.3
181.12311	2.4
199.09790	8.7
199.13504	1.5
201.11331	10.6
207.10310	17.9
208.10533	1.7
221.06815	1.4
221.11847	18.5
225.11307	13.1
235.08208	7.9
239.12912	11.4
243.12262	1.9
253.09195	1.9
255.23335	68.0
255.46170	1.5
256.23642	5.1
277.21783	12.4
286.49655	1.4
379.07953	1.4
379.12390	4.5
397.13553	50.0
398.13885	2.9
415.14389	9.9
546.15552	1.4
552.58997	1.4
605.92914	1.8
623.25330	2.4
637.27661	2.8
689.46399	1.6
835.47595	1.9
861.48712	10.8
862.49353	3.9
879.50293	1.6
897.50073	16.4
898.50464	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	897.559
Annotation	Unknow
Peak:m/z	Relative Intensity
64.36075	0.7
68.53185	0.8
69.03467	1.4
69.16519	0.7
71.01387	5.0
73.02953	1.0
76.68623	0.9
83.01381	0.9
84.02161	3.9
85.02940	1.1
88.98806	3.9
89.02438	2.9
93.69314	0.8
97.02930	1.2
97.06581	6.4
101.02441	4.8
113.02441	2.3
116.67948	0.9
125.09705	1.0
136.62827	0.9
143.03482	1.4
150.44954	0.7
161.04572	1.9
171.10278	13.6
172.10509	0.9
193.12329	8.3
211.13356	2.7
225.14973	13.4
235.08257	10.5
243.16002	6.4
246.76041	0.9
253.09317	20.4
253.14450	1.3
254.09596	1.4
277.21741	96.4
278.22104	7.8
291.19592	1.9
305.21384	1.1
323.22211	2.5
341.23352	100.0
342.23615	9.2
513.30554	2.0
521.71118	0.9
559.31171	1.3
577.32483	5.4
578.33228	1.3
601.44867	6.0
876.54907	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	13.0
85.02961	10.3
96.96028	14.4
99.00900	7.5
101.02440	11.4
121.94078	8.2
127.40849	7.4
129.01944	10.8
147.34592	8.3
189.90335	7.6
207.10265	23.6
209.11803	8.4
225.11307	56.9
255.23308	43.3
397.13513	12.3
428.42923	9.9
605.24664	13.4
623.25580	9.2
861.48462	100.0
862.48846	20.7
894.65106	8.3
897.46411	99.1
898.46802	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	897.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
62.83395	0.2
63.02077	0.1
65.00334	1.6
67.57300	0.1
68.99819	3.9
71.01397	0.3
71.54578	0.2
71.68893	0.1
72.99311	0.4
79.01911	0.7
79.05524	0.2
83.01392	2.1
91.01906	6.1
93.03494	0.2
95.01397	0.6
96.17980	0.2
96.96032	1.0
96.99295	0.3
101.03980	0.2
103.05560	0.2
107.05038	0.9
108.02225	0.2
109.02995	0.2
109.06578	0.4
110.00111	9.0
110.14546	0.2
111.00934	1.1
111.01546	0.1
115.05572	0.8
117.03448	0.2
119.01389	0.2
119.05044	11.0
120.05362	0.3
121.06677	0.2
123.00904	2.8
124.01659	0.5
124.98805	0.2
131.05046	0.2
132.05800	0.2
133.06618	3.1
134.07082	0.2
135.00911	0.3
135.04524	1.3
136.01683	0.6
136.98820	0.6
137.02452	1.1
137.99608	10.0
139.00275	0.3
141.01724	1.1
141.99091	0.6
143.05042	0.2
145.02954	0.2
147.01051	0.2
147.04529	0.6
149.02458	1.6
149.06123	0.5
150.06862	0.6
151.00404	6.1
152.01120	0.6
156.00650	0.6
157.06610	1.6
159.04495	0.7
161.02429	0.2
161.04909	0.2
161.06055	0.9
162.06880	0.5
163.00398	11.6
163.04030	12.2
164.00981	0.5
164.04489	0.3
165.01933	0.6
165.05582	0.5
165.99077	0.7
173.02429	0.3
173.06084	0.6
174.03285	0.2
175.04021	0.4
175.07602	0.5
176.01140	0.5
176.04765	0.3
177.01994	0.4
177.05592	3.2
178.06377	9.5
178.99881	3.0
179.07088	0.8
182.05864	0.3
185.06038	0.2
186.03200	0.3
187.04012	0.5
188.04834	1.4
189.01933	0.5
189.05527	0.6
190.99898	2.7
191.03523	7.7
191.07141	6.2
191.90404	0.2
192.00616	0.2
192.03862	0.3
192.07751	0.7
193.01382	0.2
199.07651	0.4
201.05585	1.0
203.03537	0.3
203.07193	1.7
204.00653	0.3
204.04265	0.4
205.05080	4.9
206.05864	7.4
207.06476	0.9
210.06931	0.3
213.05305	0.2
215.03465	1.2
216.04248	1.5
217.05040	1.0
218.05843	0.5
219.03036	1.1
219.06636	13.9
220.03467	0.2
220.07268	1.1
229.05006	0.4
232.03984	0.2
233.04559	4.4
234.05353	38.4
235.05708	1.8
240.04434	0.2
241.05133	0.3
243.06630	0.9
243.10274	0.6
244.07295	0.3
247.06131	4.0
248.06712	0.5
253.05174	0.2
254.05882	0.4
255.06723	0.8
257.04520	0.2
257.08173	0.2
261.07596	0.2
269.08322	0.2
270.05310	0.4
271.06006	0.2
272.07013	0.9
273.07401	0.2
276.06284	1.1
281.07889	0.2
282.05313	0.8
283.06259	0.8
284.06595	0.2
285.07635	1.9
286.08212	0.2
297.07712	4.0
297.11325	2.1
298.08221	0.2
300.06519	0.9
307.09827	0.3
310.04935	0.8
311.13031	0.2
312.13559	0.8
313.07187	1.8
321.11514	0.2
323.13004	0.4
324.10199	0.2
324.13937	0.2
325.07181	6.9
325.10858	2.1
326.07550	0.5
326.11093	0.2
327.12360	0.4
334.93121	0.2
335.09363	0.4
339.12366	2.9
340.13193	2.1
341.13937	6.8
342.14267	0.5
349.10782	0.3
350.11548	0.5
351.12366	1.0
353.10342	5.3
354.10883	0.5
367.11871	8.9
368.12659	79.7
369.13309	25.8
370.13733	1.6
406.46091	0.2
419.18506	0.8
437.19717	100.0
438.20056	11.6
759.24292	15.6
759.38501	0.2
760.24689	3.6
828.31342	6.6
829.31921	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.189
Annotation	Unknow
Peak:m/z	Relative Intensity
66.21246	0.9
69.19630	2.1
69.20030	9.1
81.03458	1.2
83.01392	2.7
86.09301	0.9
93.03474	2.7
95.05021	0.9
105.03483	1.3
107.05028	3.1
108.02258	1.3
109.02954	12.5
121.02960	7.1
123.00897	1.0
123.04522	7.4
125.02460	89.8
126.02792	2.8
131.05020	1.9
133.02946	6.0
135.04527	1.7
137.02455	18.7
139.04054	3.2
145.03015	1.1
146.03786	1.2
147.04547	1.3
149.02483	11.7
151.04037	16.8
159.04506	1.1
161.02444	4.9
163.00401	2.8
163.04048	5.8
164.01195	6.2
165.01927	7.3
167.03471	3.7
175.04021	20.0
176.01147	2.0
177.01950	100.0
178.02312	4.2
179.03490	2.6
187.04028	4.6
188.04808	1.2
189.01959	3.9
189.05669	1.3
190.02734	1.0
191.03503	3.3
193.05052	2.3
199.04027	8.8
201.01961	1.5
203.03520	2.8
203.07144	4.1
205.01434	1.7
205.05051	3.0
211.04066	1.5
213.05650	1.1
215.03557	1.6
217.01518	2.0
217.05095	9.9
219.02998	6.3
219.06595	1.1
227.03389	2.0
227.07098	1.1
229.05052	2.7
231.03008	1.7
243.03001	42.4
244.03384	2.9
245.04552	1.9
245.08110	4.3
255.03062	11.2
256.03748	3.0
257.04520	1.5
259.06281	1.5
261.04047	18.7
262.04276	1.4
267.02969	1.0
269.04642	3.5
273.04056	2.8
281.04565	2.7
283.02463	4.1
285.04013	3.2
287.05603	2.4
289.03976	1.7
289.07220	27.0
293.04416	1.4
297.04108	1.9
303.05099	24.2
305.06854	7.5
311.05588	1.3
315.05096	1.8
323.05515	1.2
335.05328	1.0
341.06970	1.7
373.03418	1.2
381.09711	1.4
391.04675	3.0
407.02844	1.6
407.07791	20.8
408.07947	2.1
413.08734	2.2
421.05695	4.4
423.07172	6.3
425.08798	10.5
426.09024	1.2
429.08347	6.2
439.06628	3.8
441.08411	2.5
465.08292	1.1
467.09851	6.5
481.07947	3.4
483.09241	1.8
525.08331	4.0
543.09296	11.9
544.10022	1.5
559.08807	3.7
561.10352	4.6
577.09491	1.6
585.10370	1.5
586.11169	1.4
593.13202	9.2
603.11377	3.1
607.10736	2.2
609.11993	1.4
693.12793	1.1
711.13623	14.0
712.14270	3.0
729.14667	3.6
771.16455	2.0
897.18732	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.189
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	0.9
70.57659	0.9
71.52898	1.8
73.14130	1.0
73.58739	0.8
81.03458	1.5
83.01398	3.8
93.03471	2.7
95.01379	1.0
95.05000	1.0
96.35909	0.9
97.02990	1.2
105.03479	1.0
107.05017	1.7
109.02978	11.1
111.04502	1.2
112.13020	1.0
117.03470	0.8
119.05073	1.0
120.02144	0.8
121.02987	6.7
122.03798	1.0
122.75587	0.9
123.00890	2.3
123.04516	4.1
124.01719	1.3
125.02462	100.0
126.02788	2.8
131.05029	2.2
133.03006	4.2
135.04552	2.2
137.02460	21.1
138.03210	1.2
139.04019	5.8
145.02953	1.3
147.04553	1.6
147.12625	1.0
149.02460	9.5
149.05940	0.9
150.03108	1.0
151.04028	13.5
159.04546	1.1
161.02448	9.6
161.06117	1.4
163.00366	2.6
163.04033	5.4
164.01160	6.2
165.01933	7.9
166.02531	1.0
167.03510	5.4
173.02534	1.3
175.00523	0.9
175.02557	1.3
175.04018	19.4
177.01947	87.4
178.02359	3.6
179.03479	5.4
185.02455	1.1
187.04019	4.8
188.04584	1.2
189.01947	3.1
189.05559	1.1
191.03497	3.7
193.05064	1.7
199.04033	6.9
201.01910	1.9
201.05580	1.2
203.03535	3.2
203.07181	2.3
204.04219	0.9
205.01373	1.1
205.05075	2.1
211.04001	1.9
215.03491	2.2
217.01476	1.9
217.05069	9.3
219.03036	7.1
219.06618	3.3
221.04636	1.6
227.03587	1.6
229.05087	3.1
231.02998	2.5
241.05154	1.1
243.03003	33.6
244.03325	2.4
245.04611	2.9
245.08151	2.2
255.03036	12.4
256.03720	4.7
257.04572	2.7
259.06039	1.1
261.04001	14.6
269.04541	2.6
273.04059	3.8
281.04639	2.1
283.02505	4.9
285.04062	4.0
287.05618	7.3
289.07193	15.9
293.04593	1.2
297.04010	3.4
303.05139	17.7
305.06735	17.1
315.05057	2.5
331.08188	1.1
356.37033	0.9
357.06189	1.4
391.04504	1.9
405.06076	1.9
407.07779	11.7
408.08182	1.2
413.08878	4.3
414.08994	1.0
421.05807	4.2
423.07275	18.0
425.08990	4.9
429.08374	4.0
439.06702	3.9
441.08456	5.5
465.08102	1.8
467.09186	4.8
481.07928	2.1
483.09491	2.5
525.08313	2.8
541.07745	2.6
543.09186	8.4
544.09387	1.3
559.08972	6.0
561.10425	3.5
566.20404	1.0
577.09692	1.9
591.11658	2.9
593.13037	5.7
603.11218	1.8
609.12878	4.2
711.13733	13.0
712.14111	2.5
727.13080	2.0
729.14838	3.2
730.15039	1.4
765.86621	0.9
771.15887	1.5
897.18329	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	897.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
63.79138	1.0
65.11569	1.0
66.18539	1.0
67.01912	1.3
69.37613	7.5
81.03470	0.9
83.01395	3.5
93.03476	4.0
95.01392	1.5
95.05022	1.5
97.02989	1.8
105.03500	1.3
107.05023	2.9
109.02968	11.5
119.05043	1.4
121.03001	6.8
123.00773	0.8
123.04559	7.0
123.28072	1.0
125.02460	96.6
126.02807	3.4
131.05045	2.1
133.02966	4.3
135.04568	2.1
137.02460	17.7
138.03207	1.2
139.04025	4.1
147.04480	1.2
149.02457	11.9
151.04012	18.0
153.27797	1.0
159.04527	3.3
161.02480	3.6
161.06104	2.0
163.00426	3.8
163.04037	4.7
164.01189	5.2
165.01953	6.5
167.03516	2.9
175.00400	1.1
175.04022	22.9
176.01135	1.5
176.04372	1.2
177.01947	100.0
178.02295	4.9
179.03569	2.0
187.04031	6.6
188.04762	1.3
189.01929	3.0
191.03528	3.3
193.05048	2.0
199.03998	8.6
201.02023	1.5
201.05602	1.9
202.02782	1.1
203.03545	2.0
203.07220	3.3
205.05124	3.1
211.03998	1.2
213.05531	1.0
214.02664	0.9
215.03505	1.8
215.06882	1.1
217.01537	2.0
217.05070	13.4
219.02974	9.7
221.04465	1.1
221.08220	1.2
227.03691	1.4
228.04277	1.2
229.05051	3.5
231.03026	3.2
243.03001	36.3
244.03366	3.0
245.04601	1.1
245.08159	4.5
255.02998	8.7
256.03711	3.6
257.04523	1.7
259.06137	2.3
261.04047	22.1
261.06799	1.1
262.04471	1.8
267.02985	1.9
269.04672	2.8
273.04077	3.8
281.04349	2.4
283.02509	2.7
285.04108	4.2
287.05551	2.3
289.07220	21.8
290.07602	1.0
293.04660	1.3
295.02374	1.3
297.04153	2.5
303.05139	24.8
305.07007	5.4
315.05075	2.6
323.05579	1.0
327.05042	1.3
339.08807	1.6
341.06763	1.1
379.04312	1.2
381.09735	1.0
383.07605	1.4
391.04645	2.8
395.07739	0.9
407.07700	21.8
408.08032	2.1
411.07126	1.5
413.08673	1.5
421.05756	3.4
423.07281	7.1
425.08926	10.3
429.08270	6.4
439.06873	4.6
440.06906	1.4
441.08508	2.3
463.06488	1.2
465.08347	2.0
465.14810	0.9
467.09784	8.6
469.36609	1.0
481.07886	2.9
525.08435	5.4
526.08777	1.2
541.07709	1.2
543.09418	12.9
544.09369	1.8
559.08899	3.4
561.10522	5.1
577.09125	1.4
585.10394	2.1
591.11395	1.3
593.13123	7.9
594.13861	1.2
603.11737	2.7
607.11194	3.2
608.10590	1.1
693.12640	1.4
711.13391	13.8
712.13812	2.7
729.14044	4.7
772.39520	1.0
788.46735	1.1
897.19257	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5286
Annotation	Unknow
Peak:m/z	Relative Intensity
66.26920	2.1
70.24071	1.8
71.01387	20.5
73.02962	3.5
83.01391	2.6
83.05038	4.0
85.02957	3.8
88.98815	8.2
89.02449	17.7
99.00832	1.7
101.02435	10.9
113.02464	9.0
119.03514	3.8
122.47371	1.9
125.02486	8.1
125.70625	2.3
137.46135	1.9
143.03491	3.4
161.04634	2.9
179.05560	3.9
209.11842	100.0
210.12155	4.3
227.12923	13.0
235.08302	5.4
255.23328	50.3
256.23706	4.1
259.15607	4.2
287.07813	3.1
379.12390	11.5
397.13535	45.4
398.14081	2.9
415.14618	6.0
489.03391	2.0
514.73456	2.4
532.84717	2.2
653.37872	3.6
857.26147	2.4
859.77649	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	895.5076
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	13.6
71.24717	4.5
71.25067	4.8
77.13563	3.5
85.07056	3.4
89.02462	5.6
97.06615	3.6
101.02434	12.1
111.08170	14.9
112.64644	3.8
119.05015	5.7
123.04487	3.9
137.09766	3.8
151.00360	3.7
153.01979	3.9
161.04561	4.1
169.12312	4.4
185.11880	7.5
191.14433	7.6
197.11850	62.4
198.12213	3.8
199.13454	8.5
207.10274	4.1
209.11853	20.6
211.13412	8.3
213.16624	3.3
219.68912	3.2
227.12906	4.4
235.08211	7.3
237.11430	4.4
245.19060	11.8
253.09244	20.4
263.20215	7.1
289.18149	78.2
290.18546	6.6
291.19824	20.8
296.10162	3.4
307.19189	69.2
308.19510	7.0
309.20755	100.0
310.21091	9.6
396.65488	3.4
445.20627	4.4
528.22595	3.6
539.42908	3.7
835.47437	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	895.419
Annotation	Unknow
Peak:m/z	Relative Intensity
63.70397	2.0
66.07475	2.2
71.01389	100.0
73.02943	4.0
83.01383	2.6
83.05030	3.8
85.02962	7.2
87.00883	6.3
88.83224	2.3
88.98846	3.8
89.02447	18.6
96.95995	6.0
97.02957	4.4
99.00883	3.6
99.27609	2.1
101.02470	15.5
109.06605	15.1
113.02465	9.8
115.44707	2.6
119.03500	4.1
125.02444	7.8
142.02701	2.6
143.03455	4.5
161.04623	2.6
163.11290	13.1
165.01747	2.4
171.10291	8.9
179.05597	5.3
181.12360	3.7
183.13905	7.8
201.11296	3.7
207.10275	38.0
209.11925	11.8
211.13411	82.4
212.13702	4.8
217.07234	2.8
225.11371	32.0
227.12868	11.2
228.13393	2.6
229.27997	3.2
235.08183	3.8
236.01891	2.4
266.59665	2.2
391.24805	2.8
392.67148	2.6
397.13541	31.1
401.23227	6.9
415.14441	8.1
419.24518	4.8
540.45093	2.7
605.24298	4.3
623.25366	3.7
799.37653	10.2
817.38977	23.4
818.39307	8.9
835.40027	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	895.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	100.0
71.54406	2.1
72.99318	3.8
73.02965	4.7
81.03484	5.3
83.01407	6.1
83.05031	3.1
85.02982	7.0
87.00870	3.8
88.98836	3.2
89.02457	19.0
95.01405	3.0
96.96003	4.1
97.02949	7.4
99.00894	3.8
99.09734	2.3
99.82892	2.0
101.02454	17.3
109.06622	19.4
113.02463	8.9
119.03523	6.2
125.02483	10.0
135.08138	3.4
138.09479	2.1
141.01855	2.3
142.02771	2.8
143.03545	3.9
161.04520	3.2
163.11276	11.7
171.10248	10.8
177.66824	2.2
179.05621	5.8
183.13931	7.4
201.11308	6.1
207.10263	51.5
208.10661	3.2
209.11836	14.0
211.13409	95.5
212.13701	4.7
221.06651	2.6
225.11357	38.3
227.12898	8.0
235.08273	5.5
243.12260	3.4
379.12238	3.3
389.82822	2.2
397.13574	32.8
398.13715	3.5
401.23444	5.9
412.83243	2.6
415.14429	10.1
419.24130	5.4
547.32361	2.4
591.26904	5.5
605.24310	7.8
609.27869	6.2
623.25647	6.6
771.37933	3.0
799.38043	10.7
800.37878	4.3
817.38641	25.1
818.39697	10.6
835.38879	3.1
907.81696	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	889.5097
Annotation	Divinylchlorophyll a
Peak:m/z	Relative Intensity
69.32631	24.9
69.33031	100.0
86.19448	19.2
88.24430	16.6
89.05127	15.3
96.96016	34.3
98.19933	35.8
99.72443	16.4
146.90544	16.6
165.76311	15.8
165.85966	17.5
171.10300	34.9
193.55930	17.1
209.11865	17.2
277.21710	23.7
278.21909	15.3
293.21185	61.9
341.23337	74.4
397.13538	17.8
577.31525	22.5
687.79370	16.1
889.51794	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
66.12052	9.1
71.53686	18.9
71.54057	11.2
73.52278	9.5
96.96024	44.5
125.02451	57.7
137.02377	11.8
167.03557	25.5
171.10281	13.8
177.01985	22.3
186.12099	9.3
197.11845	23.8
253.09373	40.4
291.19849	10.8
305.06656	22.1
309.20758	100.0
310.20938	12.3
327.21884	93.2
362.15170	13.9
507.53577	11.6
524.69611	10.6
563.30438	16.2
891.48810	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.481
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	1.4
71.01392	14.5
72.99326	1.0
73.02953	2.5
81.03469	0.8
83.01402	1.4
85.02966	3.3
87.00868	3.6
88.98840	0.7
89.02458	13.3
95.01431	1.3
96.95980	0.6
97.02957	2.7
98.20673	1.7
101.02461	11.8
113.02472	8.7
116.92864	3.3
119.03541	3.1
125.02457	7.0
125.09757	0.8
127.11311	2.2
133.20473	0.8
137.02373	0.7
143.03529	2.8
145.05028	0.8
149.04655	0.7
161.04602	3.3
167.03455	1.0
171.10292	100.0
172.10625	3.3
179.05672	4.5
185.11836	0.9
191.22214	0.7
199.06137	1.1
209.11856	1.5
210.12106	0.8
213.11302	0.9
217.07115	1.0
221.06725	1.5
227.12889	0.7
230.80125	0.8
235.08276	6.1
244.98741	0.8
259.08310	1.7
277.21756	53.9
278.22153	3.8
287.07846	2.2
293.21109	0.8
301.09540	0.8
305.08783	2.5
323.09854	1.2
379.08066	1.0
379.12482	14.0
380.12741	0.9
397.13550	41.0
398.13919	2.6
415.14542	8.0
514.01050	0.7
551.23480	3.9
566.07733	0.8
569.24579	4.5
570.24738	0.8
657.34656	1.2
675.36438	1.6
765.75708	1.0
892.79449	0.7
910.77069	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
62.08499	0.7
69.03470	1.1
70.67926	0.7
70.68259	1.6
71.01390	15.1
72.99323	1.7
73.02952	3.0
83.01389	2.0
85.02935	3.9
86.33242	0.9
87.00888	4.2
87.24021	0.8
89.02452	12.2
95.01384	1.0
96.00735	0.7
96.96034	1.0
97.02964	2.5
101.02455	12.5
109.02872	0.8
111.04519	0.9
113.02455	5.7
116.92961	0.8
119.03533	4.1
125.02451	7.4
125.09727	2.0
127.11300	1.9
143.03540	2.5
161.04538	4.2
171.10286	100.0
172.10658	4.3
179.05598	5.0
209.11807	1.0
210.12247	0.7
217.07155	1.6
221.06641	1.6
233.22823	0.8
235.08194	7.4
259.08295	1.0
277.21750	67.4
278.22101	5.0
287.07666	3.5
305.09000	2.0
323.09851	1.2
379.12506	16.7
380.12628	1.1
397.13525	49.6
398.13852	2.0
415.14645	8.7
491.12079	1.0
534.48932	0.8
551.23608	3.0
569.24725	2.2
657.35077	2.4
675.36279	3.3
688.45508	0.9
889.50592	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5184
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	100.0
85.02960	0.4
89.02444	0.2
98.19760	0.4
101.02512	0.3
128.90196	0.2
129.01990	0.7
158.68018	0.2
159.74025	0.2
165.84012	0.2
183.14015	0.2
209.11874	0.5
227.12967	0.3
247.93448	0.2
277.21832	0.4
278.22128	0.3
279.23309	0.4
397.13724	0.3
595.54272	0.2
867.11145	0.2
886.48865	0.4
887.50079	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	7.0
63.79703	2.9
69.46404	14.8
71.01397	11.2
72.99300	2.6
73.02979	3.0
74.26483	2.3
78.95895	2.4
83.05035	4.6
85.02958	4.1
89.02454	5.4
96.96025	100.0
96.96960	4.4
97.02988	2.3
98.95621	2.9
101.02458	7.4
113.02458	6.1
116.92870	17.8
119.03544	3.3
125.02438	3.1
138.75427	2.4
161.04576	2.5
163.07684	3.8
171.10283	4.0
207.10283	2.5
208.42413	2.6
209.11838	37.6
210.12135	3.5
211.13416	29.7
212.13861	2.8
223.59091	3.1
227.12921	9.9
235.08160	3.0
241.14409	2.6
253.09247	2.8
379.12546	3.2
397.13385	16.2
415.14822	4.2
497.82523	2.6
591.26410	4.8
607.25964	6.3
609.27588	6.0
783.45325	3.3
801.39502	4.9
887.40314	18.0
888.40332	4.4
914.95270	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	885.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	4.1
69.03452	1.7
70.30817	2.3
71.01014	1.2
71.01392	20.1
72.99321	1.0
73.02947	3.1
81.03458	1.0
83.01383	2.6
83.64094	0.7
85.02964	4.5
87.00867	3.8
89.02459	13.9
95.01395	1.5
97.02959	2.3
97.06595	0.7
101.02444	13.2
111.08175	1.6
113.02472	6.3
119.03496	3.2
125.02452	4.9
131.03453	1.0
143.03526	2.1
161.04567	2.0
165.12863	6.7
167.07234	0.7
179.05666	1.8
183.13925	50.1
184.14278	1.6
189.60820	0.7
209.11884	2.2
221.06686	1.8
227.12932	3.8
235.08249	2.7
277.21753	48.8
278.22159	4.4
353.51138	0.8
379.12592	1.9
397.13522	11.5
415.14502	2.2
548.33130	0.8
607.25763	1.4
625.27411	2.0
885.48627	100.0
886.49017	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	885.4853
Annotation	Microtoenin A
Peak:m/z	Relative Intensity
61.98846	4.6
62.17265	0.5
69.03461	1.5
69.33292	3.9
69.33720	0.9
71.01391	24.2
72.04104	0.6
72.99318	2.9
73.02957	4.1
81.03481	1.2
82.18990	0.6
83.01384	2.5
83.05036	1.2
85.02962	6.5
87.00880	4.0
89.02454	19.8
95.01405	1.6
96.96010	0.5
97.02975	3.9
99.00899	2.0
101.02454	16.3
111.00864	0.9
111.04593	0.6
111.08176	1.2
113.02470	7.5
119.03517	4.4
123.31181	0.6
125.02461	4.9
131.03471	0.6
139.04065	0.8
143.03522	2.2
149.04523	0.6
152.67712	0.6
161.04541	2.8
162.99130	0.5
163.11386	0.7
165.12851	7.4
166.13248	0.8
179.05630	3.2
181.12413	0.5
183.13921	78.1
184.14328	3.6
207.10258	1.3
209.11856	7.7
210.12312	0.5
221.06747	2.9
227.12891	8.5
235.08269	2.2
253.09259	0.9
277.21762	34.7
278.22101	3.3
376.21848	0.6
379.12451	2.3
397.13516	13.6
398.13861	1.3
415.14566	2.9
604.51746	0.6
607.26111	2.2
625.27295	3.8
675.36475	0.8
678.05957	0.7
716.63379	0.6
885.48621	100.0
886.48950	23.7
886.62256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	13.3
63.48042	2.5
64.21361	2.4
68.98068	2.5
71.01395	15.1
71.54128	3.9
75.61623	2.7
85.02937	4.3
87.00926	3.3
89.02422	6.7
96.96014	32.8
97.06612	4.1
101.02468	7.0
113.02482	4.6
125.02467	7.2
125.09737	19.5
143.23363	2.5
150.39687	2.5
155.82181	2.6
209.11934	3.5
230.15598	22.7
231.21152	3.0
298.18143	7.5
309.20807	3.6
316.19229	35.8
382.24094	6.9
418.26117	5.2
424.28830	3.7
486.29443	4.5
497.63037	2.8
504.29791	7.9
609.35614	2.9
884.42969	100.0
885.43140	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	885.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97706	1.0
61.98833	3.8
62.27271	0.9
64.05537	1.0
69.03452	2.9
69.66037	0.9
69.75694	1.1
71.01389	42.1
71.55066	1.0
72.99325	5.6
73.02959	13.9
75.00887	3.1
79.16877	0.9
81.03499	1.3
83.01405	8.1
83.63178	1.1
85.02965	26.2
87.00421	1.1
87.00903	8.2
89.02458	12.5
95.01397	4.2
95.41702	1.1
96.96018	7.6
97.02951	5.9
99.00873	10.1
101.02461	26.4
111.00883	6.6
112.88168	1.0
113.02469	19.6
115.04011	2.3
119.03493	2.0
119.05057	1.5
123.00884	1.3
123.04501	1.2
124.01682	2.2
125.02469	10.3
131.03531	1.9
143.03482	3.8
159.02989	1.6
161.04536	2.6
167.03401	1.3
172.32495	1.0
192.00772	1.0
209.11903	2.8
249.06044	1.4
279.92120	1.1
283.06097	1.0
291.59021	1.1
293.04492	1.7
299.05508	2.5
343.28540	2.3
354.22003	1.3
398.58649	1.2
505.33917	6.7
619.35150	1.1
637.37677	3.4
649.37769	6.7
650.38745	1.8
667.39020	4.8
781.42358	100.0
782.42639	18.8
799.43402	35.9
800.43585	5.1
841.44659	20.2
842.44202	4.6
885.36877	3.3
886.38599	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	13.3
63.48042	2.5
64.21361	2.4
68.98068	2.5
71.01395	15.1
71.54128	3.9
75.61623	2.7
85.02937	4.3
87.00926	3.3
89.02422	6.7
96.96014	32.8
97.06612	4.1
101.02468	7.0
113.02482	4.6
125.02467	7.2
125.09737	19.5
143.23363	2.5
150.39687	2.5
155.82181	2.6
209.11934	3.5
230.15598	22.7
231.21152	3.0
298.18143	7.5
309.20807	3.6
316.19229	35.8
382.24094	6.9
418.26117	5.2
424.28830	3.7
486.29443	4.5
497.63037	2.8
504.29791	7.9
609.35614	2.9
884.42969	100.0
885.43140	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	883.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	1.5
63.02417	1.3
65.00327	4.6
67.14261	1.4
68.61536	1.2
71.01393	14.4
73.02958	2.4
78.95927	7.5
83.01400	3.9
83.05034	1.5
85.02956	4.6
87.00880	1.5
89.02458	11.9
94.59322	1.1
94.84174	1.3
95.01381	3.4
95.05038	4.9
96.96021	4.9
97.02957	5.2
99.04517	1.5
101.02446	9.6
105.03479	8.9
107.01394	5.9
109.06608	7.5
110.03719	1.4
111.04533	3.0
113.02440	4.5
113.23486	1.3
119.03594	2.6
119.05048	32.9
121.02954	1.8
121.06602	1.4
125.02454	4.0
128.03593	2.7
130.31030	1.4
143.03461	1.9
149.02446	5.3
151.00383	17.7
152.99567	1.9
157.06404	1.6
161.04590	2.8
163.11319	8.7
165.01981	1.7
167.03493	4.3
167.52815	1.2
171.00627	2.0
179.05646	6.7
179.10847	1.5
189.09253	4.0
190.36836	1.3
207.10260	25.9
209.11789	2.8
221.06647	2.5
225.11348	100.0
226.11705	4.9
235.08244	2.4
255.17531	8.0
267.06787	1.4
269.08276	3.4
269.11862	3.0
277.21747	25.8
287.12933	2.7
320.09201	4.6
321.09531	1.6
328.35220	1.3
341.23175	1.6
397.13565	20.9
407.18671	81.3
408.18845	8.5
415.14731	7.1
451.62790	1.3
476.27914	6.3
605.24707	12.6
623.25592	19.3
883.47223	16.0
884.47211	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	881.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	20.9
69.08636	1.5
71.01388	31.3
71.54162	2.0
72.99331	3.2
73.02954	5.5
81.03493	2.4
83.01407	2.5
83.05042	4.7
84.45727	1.3
85.02502	1.4
85.02973	6.4
87.00892	7.5
89.02452	22.0
95.05023	1.9
97.02954	4.1
99.00948	1.9
101.02458	17.7
102.95775	1.3
111.08195	3.1
113.02463	10.5
117.62043	1.5
119.03548	3.7
122.38412	1.3
125.02442	8.7
125.09760	3.1
127.11278	3.8
131.03506	1.4
140.95329	1.4
141.01724	2.2
143.03511	3.8
155.10797	2.0
161.04578	5.3
163.11333	2.4
165.12877	2.7
166.16972	1.6
171.10310	3.6
175.23698	1.6
179.05655	5.1
195.13937	2.9
197.11821	13.4
201.11348	76.9
202.11676	3.7
207.10373	1.5
209.11856	100.0
210.12186	6.3
211.13449	4.4
220.16257	1.4
221.06596	2.2
222.56837	1.4
223.13467	2.9
225.11293	3.5
227.12920	12.1
235.08258	8.5
243.12541	1.4
253.09302	11.4
255.23323	83.1
256.23700	10.2
275.20175	2.1
277.21725	3.4
287.07690	2.1
291.19806	7.6
293.21268	31.7
294.21609	3.7
305.08746	2.8
309.20743	20.9
323.09866	2.4
353.02542	1.5
379.12512	12.5
397.13559	64.3
398.13889	5.9
415.14728	13.3
416.14764	1.6
433.27551	1.6
484.89783	1.8
545.30243	2.3
581.24408	2.9
588.02631	1.5
589.25391	1.6
599.25348	2.9
635.36719	2.0
653.37659	9.3
694.10022	1.6
753.74548	1.7
837.48260	2.2
881.49500	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	883.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	2.7
69.03463	2.2
69.32144	7.9
71.01389	17.8
71.05042	3.1
72.99313	1.8
73.02943	2.8
75.00888	3.5
77.55114	1.1
81.03455	1.5
83.01394	2.4
83.05032	4.8
85.02493	1.4
85.02949	7.3
87.00877	3.4
89.02455	9.0
93.03545	1.0
95.01398	2.1
95.05025	2.4
96.96002	8.6
97.02966	4.2
97.06599	2.5
98.20700	2.2
99.00891	16.8
101.02470	8.2
109.02991	1.5
109.06626	2.1
113.02489	6.8
119.03517	2.6
119.05025	1.2
123.08159	2.0
125.02445	3.7
125.09737	7.9
131.03513	1.2
135.08197	1.6
143.03468	1.8
161.04546	1.5
163.11267	11.7
165.12917	2.3
167.03465	1.2
171.10315	8.7
177.02005	1.3
179.05687	1.5
179.10628	1.2
181.12369	16.0
182.12730	1.7
199.13434	10.2
199.64311	1.0
207.10271	28.0
208.10550	1.7
209.11845	45.4
210.12144	1.8
221.06665	2.7
225.11351	39.8
226.11627	1.5
227.12897	3.6
235.08194	1.2
243.12402	24.6
315.42972	1.0
397.13358	5.7
415.14279	2.1
547.30798	1.4
623.25793	1.3
641.26959	3.1
833.37695	1.8
839.39447	9.0
840.39948	1.3
851.39246	100.0
852.39502	20.1
883.42444	10.8
884.41327	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	5.9
67.84983	2.5
71.01389	23.6
71.54017	3.2
72.99294	2.4
73.02949	3.1
78.36147	2.2
83.01397	3.9
83.05062	3.5
83.87429	2.3
85.02966	7.9
86.23267	2.2
87.00883	7.1
89.02475	16.8
89.02956	2.0
101.02443	19.0
103.59324	2.4
113.02444	8.4
119.03526	5.2
119.05014	2.5
125.02457	9.8
127.11265	3.1
143.03452	3.3
161.04558	3.5
171.10223	7.0
179.05574	6.1
201.11353	73.5
202.11713	3.1
209.11847	100.0
210.12177	9.5
211.13437	5.9
227.12950	12.8
232.44136	2.6
235.08295	7.5
255.23326	71.6
256.23648	7.7
277.21722	9.6
287.04095	2.3
287.07498	4.8
305.08902	4.0
379.12372	11.8
397.13571	61.1
398.13889	7.1
415.14587	12.9
629.66858	3.1
653.37708	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	881.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	20.9
69.08636	1.5
71.01388	31.3
71.54162	2.0
72.99331	3.2
73.02954	5.5
81.03493	2.4
83.01407	2.5
83.05042	4.7
84.45727	1.3
85.02502	1.4
85.02973	6.4
87.00892	7.5
89.02452	22.0
95.05023	1.9
97.02954	4.1
99.00948	1.9
101.02458	17.7
102.95775	1.3
111.08195	3.1
113.02463	10.5
117.62043	1.5
119.03548	3.7
122.38412	1.3
125.02442	8.7
125.09760	3.1
127.11278	3.8
131.03506	1.4
140.95329	1.4
141.01724	2.2
143.03511	3.8
155.10797	2.0
161.04578	5.3
163.11333	2.4
165.12877	2.7
166.16972	1.6
171.10310	3.6
175.23698	1.6
179.05655	5.1
195.13937	2.9
197.11821	13.4
201.11348	76.9
202.11676	3.7
207.10373	1.5
209.11856	100.0
210.12186	6.3
211.13449	4.4
220.16257	1.4
221.06596	2.2
222.56837	1.4
223.13467	2.9
225.11293	3.5
227.12920	12.1
235.08258	8.5
243.12541	1.4
253.09302	11.4
255.23323	83.1
256.23700	10.2
275.20175	2.1
277.21725	3.4
287.07690	2.1
291.19806	7.6
293.21268	31.7
294.21609	3.7
305.08746	2.8
309.20743	20.9
323.09866	2.4
353.02542	1.5
379.12512	12.5
397.13559	64.3
398.13889	5.9
415.14728	13.3
416.14764	1.6
433.27551	1.6
484.89783	1.8
545.30243	2.3
581.24408	2.9
588.02631	1.5
589.25391	1.6
599.25348	2.9
635.36719	2.0
653.37659	9.3
694.10022	1.6
753.74548	1.7
837.48260	2.2
881.49500	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	881.44
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25262	16.2
69.25694	9.4
71.01015	5.4
71.01392	100.0
72.99335	4.1
73.02956	43.9
75.00871	3.4
77.80252	2.6
81.93811	2.5
83.01383	13.9
85.02962	46.2
87.00854	5.1
89.02463	11.1
89.94154	2.8
95.01399	10.0
96.96023	4.3
99.00886	10.2
101.02459	67.4
106.35410	2.5
107.01362	2.4
110.50715	2.8
113.02467	36.5
119.03505	2.9
125.02453	6.6
138.25194	2.7
143.03488	4.8
159.03020	9.6
161.04562	33.6
217.15640	3.7
289.16541	10.2
293.08838	3.5
324.69153	3.0
355.21243	3.1
373.22342	90.0
374.22464	8.2
380.03433	2.9
415.23557	63.2
416.23734	6.5
417.21567	3.5
421.20844	72.8
422.21115	5.7
502.45319	2.9
887.31146	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	881.491
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	26.8
62.76887	0.6
68.99808	0.5
69.03441	4.1
71.01390	21.1
71.05006	1.1
71.54100	0.5
72.01704	0.5
72.99290	2.0
73.02954	2.8
81.03472	1.0
83.01381	1.8
85.02970	4.5
87.00896	4.6
89.02454	16.4
93.03482	0.6
95.01386	1.7
97.02954	2.4
97.06595	0.5
99.00880	0.7
101.02454	13.1
111.00884	0.7
111.04498	0.7
113.02464	8.9
119.03510	4.8
125.02467	6.3
125.68269	0.6
131.03499	1.1
133.05032	0.7
143.03535	3.1
161.04556	4.2
161.13333	0.5
167.03616	0.6
167.10776	2.4
179.05643	4.9
179.10860	0.9
179.14410	2.6
187.08560	0.5
195.13918	9.7
199.06175	0.6
205.12344	8.7
206.12619	0.6
209.11792	1.1
217.07140	1.1
221.06667	1.7
223.13406	100.0
224.13766	6.3
235.08211	5.9
253.09181	1.5
259.08163	0.6
263.07800	0.9
265.14432	0.6
277.21741	58.1
278.22034	5.1
287.07745	1.2
293.21295	1.1
305.08789	2.2
323.09940	0.9
379.12433	7.4
397.13525	43.8
398.13785	3.2
415.14578	9.3
427.19891	0.6
497.02786	0.5
503.78220	0.6
603.26691	6.9
604.26648	1.4
621.27716	8.8
622.27740	1.2
675.35950	1.4
750.75726	0.6
881.49078	1.8
882.51263	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4039
Annotation	Velpatasvir
Peak:m/z	Relative Intensity
61.85043	1.1
61.98843	6.1
67.87682	1.1
69.03460	6.9
69.27978	8.3
71.01389	17.2
71.05042	2.2
72.99311	1.5
73.02956	4.2
75.00887	1.3
80.02681	2.2
81.03471	3.3
83.01397	4.6
83.05038	7.7
84.02170	1.9
85.02974	6.5
87.00886	2.2
89.02456	13.9
93.03483	1.8
95.05048	1.5
96.96019	6.4
97.02948	2.9
97.06593	2.4
99.00878	1.3
101.02457	12.5
102.87251	1.0
107.75214	1.0
113.02460	7.0
116.92807	1.1
119.03545	2.6
123.08191	1.4
123.13417	1.0
125.02449	4.9
125.09731	4.2
151.11292	3.5
153.12891	2.6
161.04623	1.4
161.09766	4.2
163.11305	5.7
165.12868	2.2
179.05612	1.3
179.10777	7.1
197.11853	69.7
198.12186	3.5
209.11847	71.6
210.12209	3.5
221.06673	3.5
223.09877	1.9
227.12907	2.3
241.10802	5.2
253.09242	1.2
359.99515	1.2
397.13528	2.6
511.03247	1.2
621.75116	1.2
849.37683	100.0
850.37970	19.3
881.40295	45.4
882.40717	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	881.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03464	5.0
71.01395	94.1
71.54205	1.8
72.99313	5.1
73.02959	93.3
73.05753	1.4
74.03285	2.5
75.13311	1.6
83.01398	30.0
85.02971	15.2
87.00842	2.4
89.02466	28.5
93.65022	1.7
95.01392	5.7
96.96027	3.4
101.02458	100.0
102.02734	2.6
102.08321	1.6
110.29169	1.6
113.01728	2.9
113.02462	41.3
114.02715	1.8
119.03526	16.4
125.02448	6.1
131.03537	9.9
143.03494	13.2
149.04582	27.3
155.03534	2.8
161.04587	41.0
165.01808	2.2
179.05615	4.1
191.07195	1.7
203.05566	7.6
218.65631	1.6
221.06630	11.8
232.15919	1.7
238.61438	1.6
249.05553	1.9
251.07201	3.3
261.13443	3.4
263.06992	1.8
267.06647	6.9
279.06662	3.7
285.04269	3.0
286.04358	3.0
294.05408	2.6
295.05994	3.0
303.14542	3.6
304.07147	2.0
309.07748	2.6
322.08377	4.7
323.05649	5.2
323.09070	3.8
338.07993	8.8
341.10275	17.1
353.10333	50.5
354.10794	5.1
371.11380	16.9
395.11127	2.0
503.15314	2.1
533.16418	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	881.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
64.83285	0.8
65.03952	0.8
70.68388	0.8
81.03454	1.1
83.00996	0.7
83.01385	4.3
93.03472	2.6
95.05039	1.0
95.27477	0.6
97.02972	2.2
105.03459	1.3
107.05040	3.2
108.02129	1.2
109.02980	14.1
117.03471	1.1
121.02976	3.9
123.04539	6.9
124.01667	1.0
125.02460	100.0
126.02806	2.7
131.05040	1.6
133.02985	4.8
135.04533	2.5
137.02464	18.3
139.03998	2.7
147.04558	1.8
149.02478	8.4
149.06113	1.7
151.04033	13.9
158.85043	0.9
159.04582	2.5
161.02460	19.3
161.06023	1.4
162.03160	1.8
163.00378	3.3
163.04015	4.9
164.01176	5.7
165.01927	7.2
167.03523	2.3
173.06104	1.5
174.03270	1.2
175.04022	19.7
175.07655	0.8
176.01266	1.3
176.04425	1.0
177.01947	63.6
178.02316	2.5
178.52209	0.7
179.03508	2.9
180.84778	0.9
183.04521	1.0
187.04065	5.5
188.04773	1.3
189.01994	2.2
189.05603	0.9
190.02660	1.1
191.03534	2.9
193.05072	2.1
199.04053	5.4
201.01880	1.1
201.05673	1.6
203.03554	2.5
203.07175	4.5
204.04167	1.0
205.01332	1.5
205.05080	3.5
211.04077	1.4
211.54503	0.8
213.05606	1.2
215.03517	1.6
217.05098	9.9
219.02985	6.4
219.06641	1.1
220.03139	0.9
225.05606	1.5
227.03598	2.3
227.07213	1.1
228.04289	0.9
229.05110	2.7
231.02972	1.8
239.05733	1.3
241.05095	1.2
243.00452	1.5
243.03006	31.0
243.06705	1.7
244.03343	2.5
245.04605	5.8
245.08220	5.5
253.05148	1.8
255.03011	9.8
256.03763	2.5
257.04547	1.6
261.04044	12.5
261.06543	1.3
269.04630	3.1
273.04111	2.4
281.04568	2.0
282.01749	1.3
283.02512	2.8
285.04089	2.9
287.05627	15.4
288.06323	0.9
289.07230	20.4
290.07483	0.9
295.02609	1.4
297.04089	1.6
298.04755	0.8
299.05682	2.0
303.05038	12.9
304.05417	1.1
305.06738	2.3
327.04907	1.1
337.07233	1.0
339.08835	2.0
341.06723	1.5
347.05685	0.8
379.04361	0.8
391.04819	2.4
395.07971	0.8
405.06165	6.0
407.07742	20.5
408.08118	2.1
409.20844	0.7
413.08804	4.4
423.07220	7.3
425.08789	11.4
426.09341	0.9
429.08191	0.8
439.06821	1.5
441.08478	1.9
451.10358	3.4
465.08429	5.8
467.09756	5.7
525.08435	3.0
543.09454	8.7
544.09741	1.1
561.10706	3.4
575.12323	1.2
577.13446	3.0
587.11749	1.6
591.11517	5.4
593.13135	5.0
603.11835	1.7
677.13074	1.3
695.14148	6.5
696.14484	1.1
711.14026	3.2
713.15161	2.2
729.14673	1.8
755.15979	2.4
881.19360	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00346	0.9
65.33978	0.8
69.21781	7.9
77.36835	0.7
81.03465	2.3
83.01389	4.2
89.03977	1.3
93.03463	1.7
95.05025	1.3
97.02957	2.1
103.86429	0.8
105.03471	1.2
107.05045	2.0
109.02967	13.5
121.02979	5.1
123.04523	8.0
125.02464	100.0
126.02785	3.3
131.05028	2.0
133.02988	5.4
135.04536	1.8
137.02463	14.5
139.04042	1.3
140.14549	0.7
145.02856	1.1
146.03775	1.2
148.01674	1.0
149.02457	8.4
149.06099	1.0
151.04016	14.1
154.02763	0.8
159.04518	2.8
161.02452	19.5
161.06091	1.8
162.03224	1.1
163.00424	4.5
163.04012	4.4
164.01170	4.6
165.01945	7.5
167.03505	2.7
171.94106	0.9
173.02567	1.0
173.06085	2.2
174.03166	1.0
175.00293	0.8
175.04028	19.1
175.05524	1.3
175.07683	0.9
176.01157	1.8
177.01947	64.6
178.02321	3.3
179.03484	2.8
187.04033	3.9
188.04672	1.5
188.55270	0.7
189.01941	2.9
190.02771	1.1
191.03482	3.3
193.04916	1.6
199.04066	6.7
201.01891	1.7
201.05574	2.2
203.03542	3.0
203.07175	4.2
205.01556	1.1
205.05040	3.8
211.03998	1.5
213.05731	1.2
214.02704	1.2
215.03481	2.1
217.01466	1.3
217.05066	9.9
218.05466	1.2
219.02950	4.9
219.06596	1.2
225.05540	0.9
227.03488	1.6
227.07004	1.6
229.05074	1.9
231.02992	2.2
241.05063	1.4
242.02025	1.0
243.03011	34.3
244.03445	2.6
245.04587	6.5
245.08253	6.2
247.05948	0.8
255.03049	7.7
256.03699	2.5
257.04465	2.3
261.04059	12.9
262.04395	0.8
269.04514	3.3
273.04071	1.7
281.04553	2.7
282.01608	2.3
282.04816	0.8
283.02438	2.5
285.04019	3.5
287.05627	16.2
288.05737	1.3
289.07208	21.2
290.07593	1.2
293.04660	0.9
297.04126	1.1
299.05618	5.0
302.04865	0.8
303.05090	13.5
304.05191	1.4
305.06998	1.1
315.08887	1.1
329.06656	1.0
339.08823	1.9
341.06601	1.4
350.08621	1.0
363.05124	1.5
381.05725	1.2
381.10220	0.9
383.07767	0.8
387.05066	1.8
391.04514	2.6
395.07681	0.9
405.06094	8.0
406.06744	1.4
407.07693	17.2
408.07608	1.4
411.07434	1.1
413.08997	1.1
423.07117	8.2
425.08859	9.3
429.08337	4.5
451.10626	5.9
465.08423	5.8
467.09711	2.9
525.08136	4.4
543.09387	8.2
544.09631	1.0
559.12549	1.1
561.10400	2.6
575.12085	1.1
577.13733	9.3
578.13824	1.9
584.50806	0.9
587.12207	1.2
591.11517	4.1
593.13135	1.1
603.10889	1.7
695.13947	12.3
696.14673	2.6
711.13019	2.6
713.15234	2.3
729.14569	1.1
755.15979	2.3
881.19965	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	881.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00335	1.0
69.03464	0.9
69.69034	4.9
81.03492	1.2
83.01402	4.9
84.30177	1.0
85.45943	1.0
86.50314	0.9
90.47643	0.8
93.03458	2.4
95.05047	1.1
97.02984	2.1
105.03449	0.8
107.05048	2.3
109.02972	14.0
111.04501	0.8
116.62295	0.9
117.03482	0.8
121.02950	4.5
122.03935	1.0
123.00978	1.0
123.04543	7.1
124.01662	1.3
125.02464	100.0
126.02766	2.7
131.05077	1.6
133.02960	4.1
135.04570	2.0
137.02473	17.0
137.98502	0.8
138.03224	1.4
139.04050	4.2
143.56694	0.8
147.04552	1.4
149.02414	7.2
150.03175	1.1
151.04016	12.6
159.04533	2.4
161.02467	20.5
161.06087	2.2
162.03180	1.6
163.00406	1.8
163.04013	5.5
164.01132	6.0
165.01947	7.4
167.03519	2.8
173.06065	1.4
175.04021	19.9
176.01123	1.4
176.04585	1.2
177.01947	55.1
178.02345	2.8
179.03502	2.9
187.03986	4.8
188.04765	0.9
189.01979	3.6
189.05589	1.6
190.02766	1.1
191.03552	3.5
193.05032	1.9
199.04033	6.0
201.02069	1.4
201.05649	1.7
202.06496	0.9
203.03517	2.9
203.07155	2.7
205.01353	1.8
205.05040	2.9
211.04123	1.3
213.05612	1.4
214.02792	1.1
215.03491	1.8
217.01483	1.5
217.05058	9.1
218.05374	1.2
219.02988	6.4
219.06544	1.3
225.05537	1.4
227.03458	1.9
228.04314	1.5
229.05104	2.9
231.03084	1.5
235.05998	1.2
241.04994	1.0
243.03000	25.8
243.06676	1.5
244.03392	1.4
245.04669	7.6
245.08327	4.7
251.83734	0.9
253.04958	1.5
255.03015	9.9
256.03775	3.7
257.04538	2.9
259.06247	1.2
261.04108	11.5
269.04532	3.1
273.04102	2.1
281.04578	2.5
283.02512	3.1
285.04108	3.5
286.04623	1.0
287.05624	18.5
288.05905	1.8
289.07199	25.1
290.07611	2.1
295.02640	1.3
297.04233	1.6
303.05185	7.8
305.06772	6.8
315.05124	1.7
315.08725	1.4
327.05109	1.3
339.08664	1.5
341.06714	1.4
347.05402	1.2
375.04593	0.9
391.04761	1.2
395.07666	1.9
405.06152	2.2
407.07755	18.8
408.08340	2.4
413.08826	9.5
414.09344	1.2
421.05542	2.1
423.07236	6.9
424.07797	1.3
425.08749	10.0
426.09012	1.4
435.07043	1.3
439.06860	1.8
441.08173	2.7
449.09119	1.4
465.08157	3.7
467.09958	8.4
525.08398	2.6
541.07562	1.5
543.09381	8.5
544.09491	1.0
561.10437	3.3
569.11237	1.0
571.88293	1.0
575.12030	3.6
587.11890	4.6
588.12640	1.1
591.11511	2.8
593.13129	11.9
594.13623	1.4
603.11829	1.1
634.47333	0.9
695.14270	1.6
711.13910	7.1
712.14166	1.8
713.15210	3.2
729.14807	1.2
755.16193	3.3
881.19135	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
68.45552	1.1
71.53169	1.5
83.01392	3.1
93.03471	4.3
95.01421	1.1
95.05040	2.1
97.02983	1.6
105.03434	1.9
107.05019	3.5
109.02984	13.3
117.03484	1.1
121.02961	5.1
123.04550	12.1
125.02471	100.0
126.02807	2.7
131.05067	1.8
133.02995	5.1
134.27174	1.3
137.02467	19.2
139.04008	2.7
147.04466	1.4
149.02483	10.1
151.04037	13.7
153.01915	1.2
159.04535	2.7
161.02466	18.9
161.06032	1.8
162.03061	1.7
163.00423	3.0
163.04028	6.2
164.01189	5.5
165.01929	5.8
167.03552	4.1
171.04475	1.2
172.08797	1.0
173.06146	1.7
174.03294	1.9
175.04012	16.4
176.01183	2.6
177.01967	72.7
178.02351	4.2
179.03461	4.7
187.04063	5.7
188.04758	2.1
189.01920	1.8
191.03493	3.9
193.05107	2.0
199.04004	4.7
201.01987	2.0
203.03555	2.9
203.07146	5.1
205.05115	5.7
211.04047	2.4
215.03453	1.5
217.04988	8.6
219.03035	7.7
223.45793	1.1
225.05760	1.3
227.03427	2.4
229.05051	3.2
231.03004	2.6
241.04991	1.3
243.03024	22.9
244.03351	1.8
245.04553	5.8
245.08299	7.4
255.02995	9.7
255.05287	2.7
256.03784	2.1
257.04596	3.1
259.06100	1.5
261.04099	10.8
267.03137	1.3
269.04559	1.5
273.04044	3.0
281.04465	2.8
283.02328	1.6
285.04022	2.7
287.05658	12.4
289.07205	26.9
289.10315	2.0
290.07642	2.0
299.05548	1.3
303.05136	14.6
304.05511	1.1
305.06763	2.7
315.05243	3.3
327.04947	1.6
339.08746	3.0
341.06531	2.0
395.07584	1.3
405.06253	1.5
407.07794	27.8
408.08069	4.0
413.08704	9.5
421.05585	2.4
423.07205	2.9
425.08777	17.4
426.09167	1.7
439.06717	2.7
441.08426	2.1
451.10034	1.4
465.08344	3.6
467.09998	8.2
499.83646	1.2
525.08148	1.4
543.09399	6.7
544.10602	1.2
550.10504	1.3
561.10413	3.7
575.12311	1.4
587.12354	2.4
591.11462	4.9
593.13043	11.1
594.13263	2.5
695.13763	3.2
711.13684	5.0
713.15314	3.8
881.19244	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
62.41103	0.5
63.02406	0.8
65.00336	0.9
68.09706	0.4
71.54916	0.7
76.71731	0.5
78.78061	0.5
93.03455	1.0
96.96030	7.2
100.81094	0.6
107.01392	1.0
110.30849	0.4
112.04037	0.6
117.03471	2.5
120.01271	1.9
121.02987	1.4
125.02435	1.0
133.02945	2.9
135.04570	0.6
149.02483	1.4
151.00377	3.1
159.04536	0.7
161.02461	1.1
163.04018	0.7
175.03986	1.4
199.04012	0.9
211.03951	0.9
223.38518	0.5
227.03613	0.7
241.05049	0.5
243.11555	0.5
255.03018	1.1
256.03839	2.2
268.03802	0.9
269.04700	2.7
283.06140	12.4
284.03293	38.5
285.04056	84.8
286.04410	6.4
297.04056	0.9
311.05621	20.9
312.05930	1.7
323.05603	1.3
327.05063	3.7
341.06732	2.1
431.09851	26.8
432.10126	2.7
447.09354	100.0
448.09708	10.1
449.09262	0.5
677.73016	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.221
Annotation	Unknow
Peak:m/z	Relative Intensity
64.11845	0.4
65.00319	0.5
68.16587	0.4
69.73998	1.7
77.03959	0.5
79.01889	0.5
81.03410	0.4
81.41307	0.3
82.45554	0.4
83.01392	0.6
85.02977	0.5
97.02936	0.6
107.01380	0.5
109.03004	2.2
111.42422	0.4
116.96618	0.4
119.05025	0.8
121.02946	1.9
125.02422	1.5
132.02193	0.4
133.02966	11.7
135.04512	1.6
147.04515	1.2
148.01701	0.4
149.02454	1.7
151.04028	0.7
153.01921	1.2
161.02449	1.4
163.00388	1.1
163.04047	2.9
163.05194	0.6
165.01888	1.9
168.04320	1.0
171.07777	0.8
173.02400	0.4
175.03996	2.8
177.01942	1.0
179.24806	0.4
183.06619	0.9
187.04033	0.6
191.03558	1.2
193.01460	1.6
198.03151	0.4
199.04036	0.9
201.01917	1.6
203.03499	0.5
211.04048	0.5
212.04793	0.5
213.05533	1.1
215.03575	0.5
215.07150	0.4
225.05647	0.5
227.07106	0.5
229.05127	0.6
231.06491	0.4
237.05536	0.4
240.04446	0.7
253.04984	0.8
255.02980	1.1
255.06450	0.4
257.04385	0.4
269.04538	1.2
277.91315	0.4
281.04520	0.5
284.03329	7.8
285.04080	6.1
286.04343	0.6
297.04065	13.1
298.04822	8.0
299.05624	17.5
300.05914	1.1
309.04144	1.1
311.05649	2.3
316.57642	0.4
325.03574	1.1
327.05118	100.0
328.05521	7.9
334.10751	2.0
339.05090	3.9
341.06436	0.5
357.06192	24.0
358.06384	2.0
369.06033	2.9
393.06131	0.9
447.09360	88.2
448.09714	10.4
777.12366	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.376
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	100.0
62.86055	11.3
68.48923	11.3
70.67956	19.4
70.68304	23.2
88.37123	10.5
96.95992	14.7
107.01411	13.2
111.40308	10.5
122.54935	11.1
134.92334	10.6
151.00356	30.3
157.65633	10.4
255.17564	38.0
407.18692	72.0
521.77673	11.6
629.84991	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	877.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	5.8
69.66486	3.9
69.66902	3.8
71.01389	11.1
71.05019	1.5
75.77116	1.0
77.34320	1.1
85.02974	2.5
87.00893	1.3
88.40923	1.0
89.02455	11.2
92.17404	1.1
92.49351	1.2
95.01411	1.5
96.86416	0.9
97.02966	2.5
101.02465	9.5
113.02464	4.7
116.92859	2.1
119.03493	2.0
125.02454	2.4
125.09708	2.1
144.57411	1.2
151.11299	1.5
161.09732	2.5
164.61194	1.3
165.55484	1.2
179.10805	5.6
180.11133	1.3
194.43465	1.2
197.11850	32.5
198.12296	1.5
209.11815	1.5
221.06668	1.9
223.09912	2.0
255.23314	43.8
256.23685	4.8
259.70737	1.2
397.13416	3.1
649.08618	1.2
877.48083	100.0
878.48492	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
68.14156	29.7
69.55628	26.7
71.53967	27.3
71.54369	34.7
209.11800	100.0
277.21674	55.8
289.81464	30.7
651.66956	34.2
877.47986	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	3.1
71.01390	75.6
71.55408	1.2
72.01727	1.2
72.99309	3.7
73.02955	100.0
74.03318	1.6
75.00887	1.7
81.03467	1.3
83.01394	29.2
84.01736	1.0
85.02960	11.6
87.00876	2.5
89.02453	15.4
95.01386	3.4
97.02963	1.6
99.00887	3.1
99.04498	1.2
101.02456	87.3
102.02799	1.9
113.02466	32.8
119.03515	7.4
123.52538	1.0
125.02477	4.6
129.01917	0.9
131.03517	8.2
143.03528	8.2
149.04575	19.0
155.03481	1.9
161.04568	28.2
174.17642	0.9
187.40436	0.9
189.12769	1.1
201.11469	0.9
203.05614	3.2
221.06664	7.1
237.31496	0.8
285.04071	1.6
289.16516	1.8
316.89774	1.0
328.92841	0.9
369.19345	1.2
411.20300	1.1
421.20840	19.0
422.21030	2.7
489.69913	1.0
679.14105	1.1
746.57465	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
61.20792	4.9
61.98838	8.5
69.65530	24.4
71.01398	12.3
74.91733	4.3
82.49736	4.6
87.72441	5.2
87.86224	5.0
88.98808	10.2
89.02438	6.7
96.07606	5.4
96.96037	14.5
108.34428	5.1
112.98656	4.8
116.92854	6.4
121.22771	5.2
171.10263	9.6
211.13510	5.5
235.08191	12.5
253.09297	40.8
293.21277	100.0
294.21762	8.2
327.21805	62.7
488.97345	5.1
529.30200	13.7
563.30695	14.4
603.42523	8.8
875.49164	34.6
876.49609	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	873.515
Annotation	Unknow
Peak:m/z	Relative Intensity
71.17688	28.6
102.57608	25.1
118.41346	21.5
128.90660	19.2
253.09305	25.0
267.73517	21.5
277.21692	100.0
341.23199	77.3
379.77963	21.7
398.76224	24.7
683.03247	25.9
873.50549	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	873.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74773	17.7
70.60552	51.7
79.63719	17.8
88.98815	57.5
98.20543	24.8
167.83470	17.5
172.95149	17.4
176.58649	18.9
233.13501	17.7
235.08272	24.1
277.21585	100.0
333.02740	17.7
341.23309	52.2
395.90067	18.9
715.60162	19.3
873.51410	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40864	9.4
69.41250	1.9
71.01390	30.3
73.02966	10.9
74.53530	1.3
75.00896	2.2
83.01406	4.6
83.93697	1.3
85.02961	16.0
87.00898	2.2
89.02453	10.4
95.01392	3.4
96.96024	14.7
97.02985	1.6
99.00922	2.0
101.02451	18.7
113.02462	13.1
117.03480	6.9
119.03513	3.1
119.05059	2.1
121.03005	2.1
125.02480	2.8
129.01939	2.1
131.03572	1.7
135.04482	1.5
140.10663	1.1
143.03490	2.4
149.02469	3.2
149.04576	2.7
152.93025	1.2
157.92320	1.1
161.02492	10.6
161.04573	8.5
163.04034	2.1
165.01973	1.4
167.03545	2.7
173.02449	1.5
175.04042	5.5
177.01927	4.0
179.05640	1.7
191.01944	2.3
193.45613	1.4
205.01584	1.7
235.13484	2.1
249.06287	1.9
251.07243	1.4
253.05193	1.5
267.07050	2.9
269.04568	2.0
281.04608	3.9
282.05115	1.4
283.06128	13.1
293.04675	2.9
295.06152	14.7
305.04343	1.7
311.05609	16.1
323.05618	39.1
324.05978	5.7
331.17624	9.7
341.06662	3.3
353.06638	2.8
371.20544	1.4
373.18701	8.7
375.96933	1.4
391.81488	1.2
413.21976	4.2
415.23633	2.0
431.09909	10.1
443.09851	100.0
444.10220	13.1
449.27533	1.8
464.23792	1.4
639.02722	1.5
875.42249	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	871.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
60.61721	1.2
69.03437	1.6
70.85358	3.3
71.01394	14.4
73.02938	2.1
81.03480	1.3
81.24593	1.5
83.01414	3.1
85.02969	2.5
87.00885	2.7
89.02457	12.4
93.95357	1.3
95.05000	2.2
97.02962	2.4
97.06590	3.3
101.02460	11.0
109.33622	1.3
113.02460	4.0
119.03532	3.0
125.02445	4.0
151.11325	9.3
169.12363	46.9
170.12683	3.0
187.31116	1.5
198.55823	1.4
213.11331	5.2
221.06728	2.2
260.89871	1.5
277.21744	31.0
278.21964	2.4
379.83148	1.6
386.22739	1.4
397.13382	5.0
426.05328	1.5
593.23529	1.6
611.26270	1.8
765.54913	1.4
793.16028	1.5
871.47028	100.0
872.47479	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	873.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98865	21.5
71.54375	31.8
76.29086	19.8
96.96012	28.2
114.93433	28.4
116.92841	33.5
137.06024	17.6
197.11906	25.5
253.09459	27.8
291.19507	23.1
309.20862	100.0
358.28476	20.6
426.46530	19.6
463.11960	18.3
465.13272	22.2
575.50946	25.5
873.48120	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99570	1.2
69.03465	1.4
69.94669	3.2
71.01390	14.4
72.99325	1.6
73.02946	1.6
75.00877	0.9
83.01392	2.1
85.02953	3.3
87.00885	3.3
89.02459	12.5
95.01444	1.2
95.23178	0.8
96.94561	1.4
96.96027	3.3
97.02970	1.9
97.06602	2.4
98.95637	1.1
99.00929	1.3
101.02446	10.7
112.98631	0.8
113.02483	5.3
116.92957	0.8
119.03524	2.6
119.97737	1.0
121.94383	0.8
125.02445	2.6
143.03523	1.4
151.11288	9.3
161.04549	1.7
169.12361	63.1
170.12674	2.8
177.01967	0.8
179.05643	1.7
195.10272	1.1
213.11342	9.2
221.06683	2.7
235.08221	1.9
259.12177	0.8
277.21756	16.2
278.22070	1.5
307.19162	1.2
309.20801	1.6
397.13525	3.3
415.14294	1.1
547.95392	0.8
593.24561	2.1
606.94092	0.8
611.26050	4.8
871.47058	100.0
872.47418	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46476	1.7
61.98838	5.2
71.01388	21.4
71.54289	2.4
73.02956	2.1
77.55328	1.6
78.01051	1.7
79.95724	3.0
82.95420	3.4
85.02937	3.3
89.02470	8.3
89.26709	1.8
96.96024	100.0
98.95618	7.7
98.96401	3.5
101.02436	7.2
109.06609	2.0
113.02457	3.5
116.92847	2.2
119.03465	3.2
125.02471	3.1
125.09680	1.9
138.80893	1.7
144.83197	2.1
155.03362	1.6
171.10275	4.9
179.05612	2.9
182.31596	1.6
183.13873	7.9
183.91640	1.6
197.11844	2.6
199.09775	6.3
200.07382	1.9
201.11302	3.6
207.10246	7.5
209.11818	10.1
211.13449	21.5
225.11255	8.8
227.12885	5.4
235.08308	2.1
251.48474	1.8
253.09196	2.2
327.21570	2.4
397.13416	19.5
415.14563	5.0
773.36243	5.0
817.38617	9.4
818.39178	2.9
835.39783	6.2
836.39471	2.9
871.37457	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	871.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
69.99785	1.4
70.00175	1.6
71.01401	7.5
73.02962	1.7
80.02707	0.8
81.03490	1.1
83.01396	1.3
83.05045	4.1
84.02187	1.1
85.02966	2.0
87.00890	1.3
89.02445	6.8
95.01417	0.8
96.96024	1.7
97.02973	0.7
101.02464	7.5
106.10245	0.8
113.02451	3.3
119.03496	3.2
125.02451	3.1
140.80661	0.8
143.03513	1.4
161.04576	2.0
163.11307	2.8
165.12849	2.1
167.03539	1.0
179.05606	4.1
181.05173	0.9
209.11844	100.0
210.12186	5.9
227.12914	28.5
228.13103	1.4
235.08264	2.7
247.71663	0.8
269.86938	0.9
287.07693	1.2
305.08884	1.4
379.12631	4.3
381.14896	0.8
397.08356	1.7
397.13535	33.2
398.13879	2.5
415.14639	8.3
416.14786	1.0
536.60260	0.8
589.25177	3.1
607.26044	5.6
720.36621	1.0
799.37262	1.0
871.37274	17.0
872.37891	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	871.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	23.0
66.24087	2.9
68.99590	2.5
71.01396	30.1
71.54433	3.7
79.95758	3.0
82.95444	6.3
85.02930	5.2
89.02464	13.4
89.28910	2.4
96.95394	5.2
96.96028	100.0
98.95612	8.1
98.96442	2.5
100.17867	2.5
101.02463	11.4
112.98530	2.5
113.02496	6.1
119.03528	2.6
125.02458	5.5
125.09784	3.7
161.04570	3.4
163.11322	3.1
165.12944	2.6
171.10287	10.9
179.05623	8.0
183.13925	9.3
197.11769	3.6
199.09772	15.5
201.11334	4.7
207.10356	12.8
209.11812	17.9
211.13425	37.6
225.11348	13.7
227.12906	8.7
235.08240	3.1
253.09512	3.3
309.20837	3.7
325.20175	3.2
327.21973	3.6
340.01828	2.7
379.12463	3.4
397.13489	19.8
415.14481	7.1
579.22760	3.4
597.24542	4.9
609.28253	4.4
674.37964	3.0
773.36462	4.7
791.37567	7.1
799.37500	6.4
817.38611	12.2
835.40106	8.4
871.36719	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	869.5277
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	0.9
69.03455	2.1
71.01397	5.5
71.24715	1.2
72.99340	0.7
73.02954	1.4
73.27164	0.6
76.28608	0.6
83.01422	0.8
83.05038	1.5
84.02203	3.0
85.02972	2.0
87.00878	1.0
89.02444	4.9
95.01390	0.7
96.96029	16.6
97.02966	2.3
97.06607	7.5
98.95655	1.2
98.96458	0.6
99.04571	0.6
101.02473	5.0
102.05627	0.9
109.06597	1.2
111.08183	8.1
113.02456	2.9
116.92854	2.5
119.03501	1.6
123.08178	0.9
125.02425	0.9
125.09743	1.9
127.07710	0.8
135.08247	0.7
137.09743	1.3
139.11259	0.6
146.04585	1.2
147.42841	0.7
148.21709	0.6
151.11249	1.0
153.09151	0.6
154.36742	0.6
161.04607	3.9
165.12869	1.7
169.12381	3.8
171.10286	13.8
177.12813	0.9
179.05598	1.0
181.12364	1.1
183.13889	1.2
185.11838	1.2
193.12358	9.3
197.11858	39.1
198.12181	2.2
199.13445	2.2
209.11887	1.4
211.13428	10.1
212.13615	0.6
215.81894	0.7
221.11882	1.0
225.14983	14.6
226.15323	1.3
227.12839	1.4
235.08173	3.8
243.16068	7.2
253.09303	28.3
254.09677	0.8
263.20175	2.7
277.21692	1.2
291.19672	16.6
292.19986	2.7
293.21109	0.8
309.20752	64.7
310.21170	5.3
323.22305	1.9
341.23352	100.0
342.23697	9.7
369.84515	0.6
383.89246	0.6
397.13467	1.2
545.29620	1.5
577.31964	3.3
578.32843	0.7
633.43884	5.7
634.44690	1.1
797.21063	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	1.3
68.99212	0.8
68.99579	14.2
69.03448	1.3
70.71977	1.1
71.01393	15.6
72.99312	1.4
73.02953	2.7
79.95770	0.7
81.03471	0.7
81.96628	0.4
83.01388	1.9
85.02953	3.2
87.00891	4.2
89.02456	14.5
91.04010	0.4
95.01394	1.3
96.96029	9.5
97.02982	2.0
99.00908	0.8
101.01790	0.9
101.02443	10.2
112.98587	11.8
113.02457	7.3
118.19242	0.4
119.03511	4.3
121.02927	0.4
125.02475	6.0
131.03497	0.7
139.03984	0.4
143.03497	1.8
161.04581	3.7
165.12845	0.6
167.14458	0.9
179.05635	3.9
183.13925	8.0
193.12369	1.6
211.13411	100.0
212.13766	4.4
217.07211	0.6
221.06631	1.6
235.08269	4.6
253.09335	1.1
253.14534	0.5
259.08276	0.6
263.07693	1.0
277.21744	48.5
278.22110	3.5
280.78174	0.4
287.07816	1.8
297.75745	0.5
305.08850	1.7
323.09866	1.1
349.64914	0.4
361.11252	0.4
379.12457	8.7
380.13049	0.7
397.13538	36.4
398.13962	2.9
415.14612	7.5
415.19812	0.7
416.15063	0.9
464.71149	0.4
591.26721	3.7
592.27173	0.6
609.27924	3.1
657.34210	0.5
675.36182	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	0.8
68.99813	2.2
70.46629	0.3
71.54372	0.5
79.01905	0.5
83.01379	2.1
89.02454	0.4
91.01903	3.9
93.03466	0.7
94.62457	0.3
96.96015	1.6
107.01328	0.4
107.05038	0.3
110.00110	6.9
111.00880	0.6
119.05036	12.1
123.00885	2.1
124.01688	2.1
125.02452	0.3
133.06631	2.2
135.00917	0.4
135.04501	0.7
135.08179	1.0
136.01671	0.8
136.98877	0.4
137.02466	1.6
137.99591	5.8
141.99083	0.6
143.05037	0.6
147.04520	0.5
148.00346	0.3
149.02466	1.2
150.06926	0.3
151.00380	3.9
152.01155	2.8
156.00636	1.0
157.06602	0.9
159.04549	0.5
161.06096	0.8
163.00392	6.9
163.01735	0.6
163.04024	8.3
163.07652	0.6
164.01088	0.7
165.02016	1.7
165.05550	0.5
165.99078	0.8
173.06071	0.4
175.04068	0.3
175.07590	0.4
177.01987	1.1
177.05600	3.3
178.06377	7.2
178.99873	1.7
179.07094	1.4
185.06029	0.5
187.04031	0.9
188.04805	0.8
189.05635	1.6
190.99854	3.2
191.01314	0.3
191.01630	0.4
191.03505	5.1
191.07141	5.4
192.00476	0.6
192.07945	1.7
201.05602	0.6
205.01433	0.9
205.05063	6.0
206.05856	5.0
207.06616	7.5
208.07147	0.5
209.11913	0.4
211.13417	0.9
215.03587	0.8
216.04341	0.6
217.05020	0.8
219.03215	0.6
219.06654	10.1
219.08759	0.7
220.07368	4.7
221.08221	4.7
229.04985	0.9
233.04555	4.9
234.05350	27.0
235.06116	14.6
236.06535	0.6
241.05154	0.5
243.10410	0.4
247.06079	2.4
248.06934	14.3
249.07590	2.0
255.06641	0.5
258.05310	1.3
261.07657	1.8
271.06122	0.5
277.21713	0.5
283.06140	1.1
283.09778	0.6
286.04822	0.6
299.05643	1.0
311.05679	4.1
312.05878	0.4
325.10986	0.6
326.11569	1.6
327.12396	1.6
336.10168	1.0
337.10818	0.9
351.72388	0.4
353.10294	6.5
353.14313	0.5
354.11102	71.5
355.11765	20.9
356.12204	1.3
375.08453	1.9
397.13599	0.4
405.17130	0.9
407.18613	0.5
423.18155	100.0
424.18506	12.2
458.61053	0.4
731.21185	17.0
732.21350	3.5
800.28180	8.1
801.28876	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	868.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
62.98541	0.1
69.96947	0.2
88.28160	0.1
132.44333	0.1
174.10747	0.1
194.26448	0.1
238.52309	0.1
262.75046	0.1
271.06479	0.1
271.58539	0.1
278.22092	0.1
309.20746	0.1
330.73578	0.1
398.19330	0.1
659.19604	0.1
738.79059	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
62.98551	0.2
71.01402	0.5
71.54025	0.2
71.54414	0.2
82.95425	0.3
89.02469	0.4
96.96047	0.4
101.02470	0.2
113.02515	0.2
119.03669	0.1
119.05050	0.8
125.02497	0.2
151.61154	0.2
161.04602	0.1
162.25760	0.1
185.58435	0.2
211.13425	1.3
219.82121	0.2
277.21790	0.9
307.70721	0.1
361.97806	0.1
379.12756	0.2
391.19095	0.8
397.13434	0.7
446.32446	0.2
551.71661	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	867.497
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	3.2
64.09187	0.7
69.03466	1.4
71.01389	17.8
71.38026	0.7
71.38350	0.8
72.99313	1.3
73.02958	3.0
81.03458	1.0
83.01396	2.7
83.29610	0.7
85.02955	4.6
87.00888	5.6
89.02454	16.4
94.81607	0.7
95.01398	1.9
96.96021	2.2
97.02972	3.2
99.00871	0.9
101.02448	13.6
104.38699	0.6
104.44719	0.9
109.02987	0.6
111.04546	1.0
113.02453	8.5
113.53827	0.7
119.03516	4.6
125.02470	7.6
125.09761	0.9
127.11284	1.4
143.03520	2.7
153.09235	0.8
161.04518	4.2
167.03516	0.8
171.10283	100.0
172.10600	4.1
176.04170	0.7
179.05620	3.8
187.19241	0.6
217.07204	1.6
235.08231	6.2
255.23320	68.1
256.23743	5.8
259.08276	1.5
269.24854	1.0
277.21899	1.1
287.07745	2.7
293.17926	2.7
301.09430	0.9
305.08813	2.4
323.09805	1.2
379.12500	20.4
380.12689	1.2
397.13547	39.1
398.13968	2.6
415.14453	6.7
551.23352	3.5
569.24194	2.2
635.36304	3.3
653.37512	5.1
654.38605	0.9
807.48315	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
61.47152	0.4
61.98833	1.1
63.02404	0.6
65.00329	1.9
68.99830	1.3
76.64577	0.5
89.54300	0.5
96.96022	2.2
105.64022	0.5
109.06615	1.4
115.37450	0.6
119.05031	5.1
133.06604	5.2
136.01639	0.8
148.01585	0.6
149.02470	1.0
151.07672	1.7
158.03699	0.6
159.04568	0.7
161.02473	2.9
163.00410	1.3
175.00349	2.6
175.07608	1.5
176.01141	2.1
177.01915	0.7
186.03221	1.5
189.01976	1.1
189.05621	1.1
190.06366	2.0
191.07095	0.8
201.05548	1.4
203.03554	0.9
203.07191	1.7
204.07967	0.5
209.11798	0.8
217.05008	0.9
218.05821	1.8
219.06619	7.1
220.07074	0.6
232.07469	1.2
235.08388	0.5
264.06436	2.7
267.06735	0.6
270.05325	0.9
277.21741	0.6
283.06244	0.5
289.18210	0.6
292.34720	0.5
294.12756	0.5
295.06107	4.5
297.07620	0.6
307.19107	1.1
309.14908	1.2
310.08658	0.6
311.12857	1.1
338.11783	1.1
341.23233	1.5
351.45901	0.5
353.13974	100.0
354.14340	10.1
629.24774	0.5
735.16290	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	1.4
63.02415	0.5
65.00334	1.0
68.99826	0.8
71.01389	0.7
71.60152	0.5
85.02940	0.5
85.11507	0.4
96.96011	1.9
101.02509	0.5
107.05028	0.4
108.02189	0.6
109.06599	1.4
119.05038	3.4
125.02451	0.4
133.06625	3.5
135.00897	0.6
136.01654	3.2
147.08115	0.5
149.02484	0.7
151.07689	2.2
159.04407	0.6
161.02446	2.2
163.00391	1.4
164.01143	1.8
175.00378	1.8
175.07626	1.7
176.01112	1.5
189.01918	0.7
189.05522	0.7
190.06299	1.2
196.00217	0.5
203.07162	1.3
209.11868	2.3
216.43105	0.4
217.05066	0.8
218.05878	1.3
219.06642	4.0
231.06575	0.4
245.08301	0.7
253.09227	0.6
264.06430	0.9
267.06726	0.5
277.21881	2.3
283.06152	0.9
289.18069	1.2
295.06155	1.7
307.19119	1.1
311.12924	2.1
341.23297	1.4
353.13965	100.0
354.14261	9.8
397.13467	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	2.6
65.43203	0.8
69.03460	1.2
71.01009	1.4
71.01392	19.0
71.12141	0.7
71.53721	1.4
72.99295	1.5
73.02956	2.7
79.95752	0.7
80.02694	1.0
81.03464	2.1
83.01373	1.2
83.05035	6.4
84.02174	1.3
85.02959	4.8
87.00861	3.8
89.01938	1.3
89.02456	15.1
92.90403	1.0
95.01369	1.3
95.05016	1.5
96.96019	4.0
97.06597	0.8
97.55025	0.7
99.00906	2.2
101.02454	11.0
109.06638	0.8
111.00891	1.2
111.08177	0.9
113.02472	5.8
119.03535	3.6
119.04961	0.8
125.02467	3.1
135.08199	1.0
143.03487	1.1
161.04576	3.5
161.57390	0.8
163.11324	5.3
165.12862	10.3
179.05611	2.0
181.12408	1.3
183.13919	50.5
184.14212	2.5
191.10771	1.8
208.66344	0.8
209.11850	75.6
210.12250	4.6
211.13408	1.8
221.06677	2.5
225.11307	2.0
227.12906	9.8
235.08261	1.7
379.12341	1.0
397.13513	5.8
415.14621	2.3
446.00287	0.9
607.25818	1.2
625.27161	1.5
817.38568	2.3
835.39758	100.0
836.40094	23.7
867.42383	11.8
868.42737	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	867.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
61.06335	0.4
70.95145	0.9
71.01390	8.2
72.99324	0.6
73.02956	1.4
80.02043	0.5
80.02653	1.0
80.88738	0.5
81.03458	1.9
83.01394	1.4
83.05028	4.9
84.02174	1.1
85.02959	2.3
87.00896	1.9
89.02450	8.1
95.01420	0.9
95.05029	0.4
96.95996	1.3
97.02975	0.9
101.02450	6.8
111.07228	0.5
113.02450	4.3
119.03522	2.3
125.02448	2.2
135.08195	0.7
143.03508	1.5
158.46378	0.5
161.04558	1.4
163.11302	3.0
165.12895	2.7
179.05638	2.4
191.67645	0.5
209.11847	100.0
210.12175	5.5
217.07230	0.7
221.06638	0.6
227.12917	15.5
228.13391	1.0
229.14528	0.6
235.08276	2.2
253.09492	0.6
259.15448	1.2
265.14493	0.5
287.07739	0.8
305.08813	0.7
323.10004	0.8
379.07822	0.7
379.12427	3.9
397.13553	21.6
398.13821	1.1
415.14566	4.3
589.25183	1.1
597.11676	0.6
607.26666	2.3
607.35284	0.5
776.28149	0.5
799.38116	0.7
835.39783	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.424
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	0.9
69.03454	0.6
69.62121	2.5
71.01392	9.2
72.99303	0.9
73.02944	1.3
75.00883	0.6
80.02685	1.2
81.03462	1.8
83.01401	0.8
83.05035	4.9
84.02184	1.0
85.02959	2.9
87.00888	2.4
89.02458	8.2
95.01391	0.6
95.05022	0.4
96.96029	2.3
97.02951	0.8
98.19987	0.6
99.00890	1.1
101.02459	6.3
109.02989	0.5
113.02466	3.7
119.03520	2.2
119.32426	0.4
123.00902	0.5
125.02465	2.7
125.06128	0.4
125.09779	0.5
129.49284	0.4
131.03583	0.5
135.08125	0.8
143.03493	1.4
149.09753	1.0
161.04558	1.8
163.11293	4.0
165.12859	2.3
169.12347	0.5
179.05630	2.4
181.12274	0.9
191.10805	1.0
209.11841	100.0
210.12187	5.7
217.07213	0.4
221.06714	0.7
225.11244	0.6
227.12917	15.5
227.15181	0.8
228.13237	1.5
231.43619	0.4
235.08327	2.7
251.12999	0.5
253.09267	0.7
259.15576	1.4
287.07721	0.5
305.08804	1.1
323.09833	0.6
379.12439	3.6
397.13556	20.7
398.13916	1.5
415.14661	4.8
463.24371	0.4
589.25385	0.6
607.26398	2.6
607.34711	0.5
737.70587	0.5
799.36945	0.6
823.40686	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
70.08776	0.5
80.96514	0.3
89.46157	0.2
92.64954	0.2
98.20596	0.2
277.21835	0.5
278.22372	0.3
289.18356	0.2
291.19653	0.2
424.63263	0.2
677.39532	0.2
690.24231	0.2
728.81592	0.2
783.45270	0.2
866.50916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.5328
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	23.1
71.01391	4.5
72.54056	0.8
73.02931	1.4
80.96508	0.9
85.02953	0.8
86.01540	0.8
87.00937	1.1
87.23991	0.7
89.02452	2.9
97.68633	0.7
99.00831	0.8
101.02465	4.4
109.72090	0.6
111.08154	5.9
113.02451	1.9
119.03541	1.1
119.40038	0.7
126.50372	0.6
135.85233	0.6
146.93159	0.7
151.11246	0.8
161.04599	1.9
169.12355	3.8
171.46413	0.6
195.60718	0.7
197.11853	34.3
198.12219	1.7
199.13405	2.0
211.13451	4.6
235.08282	7.8
253.09303	16.2
259.20718	0.7
263.20178	2.4
265.18152	0.7
277.21747	100.0
278.22125	8.2
291.19672	18.6
292.20020	1.6
309.20746	44.8
310.21146	3.8
429.42831	0.7
438.57590	0.7
445.55179	0.8
489.27274	0.8
527.28705	1.1
725.02051	0.8
865.50201	1.4
868.70087	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
64.80309	8.5
71.01382	19.9
71.54225	11.1
73.03012	7.6
77.57985	7.1
79.05608	7.0
89.02460	18.3
101.02476	14.9
112.15173	7.5
113.02468	12.4
135.00858	16.0
171.10287	100.0
179.40770	8.6
211.63042	9.9
255.17493	8.7
277.21811	71.9
379.12585	19.2
391.18954	9.9
397.13492	58.8
398.13699	14.0
415.14911	10.4
473.18243	41.1
479.00757	8.3
551.24133	8.8
569.24573	13.9
865.43024	40.4
866.44348	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	865.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29465	66.4
71.01394	16.6
89.02464	22.0
96.95988	11.1
97.02995	7.8
101.02473	24.0
103.30213	6.9
109.64355	6.9
165.71666	8.5
171.10287	100.0
179.05641	8.2
188.87735	6.9
209.11757	23.2
210.12250	8.5
255.23189	8.8
277.21771	88.6
320.09100	8.9
379.12479	22.6
397.13553	72.0
398.13754	11.5
415.14932	11.4
551.23505	12.2
667.74866	9.0
865.42798	44.0
866.43256	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	865.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00351	0.8
67.26524	0.9
69.72723	2.1
69.73109	1.8
74.51011	0.7
81.03448	1.1
83.01408	4.8
86.58072	0.6
95.05022	1.2
97.02963	1.1
98.20618	0.8
107.05048	1.7
109.02964	11.4
121.02952	2.7
123.04530	6.6
125.02462	100.0
126.02748	1.8
131.05038	1.8
133.02980	5.3
135.04544	2.5
137.02461	13.1
139.04027	2.2
145.03008	1.2
146.03751	1.4
147.04544	1.2
149.02489	3.7
149.06076	1.1
151.04015	12.9
159.04543	2.9
161.02460	33.6
161.06094	2.1
162.03073	3.0
163.00424	2.8
163.03976	3.7
164.01190	6.7
165.01945	5.4
167.03473	1.7
168.77870	0.7
173.02457	1.1
173.06111	1.0
174.03333	1.6
175.04019	14.7
177.01956	13.3
177.05656	1.0
179.03528	2.5
187.04041	5.3
188.04729	1.3
189.01973	1.2
189.05544	1.4
190.02705	0.9
191.03485	0.8
193.05139	1.3
199.04002	4.4
201.05641	3.2
202.06444	0.9
203.03481	2.5
203.07190	4.4
205.01459	1.2
205.05077	3.1
211.03935	1.0
213.05370	1.0
215.03635	1.5
217.05066	8.7
219.02982	3.9
227.03487	0.9
227.07158	1.1
228.04330	1.0
229.05098	2.6
231.02928	0.9
243.03009	21.5
243.06726	1.0
244.03508	2.2
245.04570	10.5
245.08269	5.5
246.04958	0.8
255.03035	6.2
256.03687	3.0
257.04581	1.8
261.03989	7.4
263.06583	0.8
269.04623	3.1
273.04092	1.7
281.04623	1.8
282.01761	1.3
283.02600	1.7
285.04141	1.9
287.05652	28.1
288.03036	0.8
288.05991	2.1
289.07220	19.5
297.04095	1.0
299.05576	4.4
327.05096	1.2
339.08853	1.6
341.06784	2.0
379.08112	0.9
381.05905	1.1
383.07779	0.8
391.04770	1.4
395.07803	1.9
405.06058	4.9
407.07748	20.3
408.08173	2.3
413.08737	6.4
414.09082	1.4
423.07263	5.3
425.08801	11.5
426.09265	1.9
435.07288	1.3
449.08859	6.9
450.08960	1.1
451.10461	9.2
452.11307	1.0
525.08374	1.8
543.09448	4.7
559.12823	1.3
561.10321	1.8
569.11145	2.7
575.11981	6.5
576.12054	1.4
577.13544	10.0
578.13837	1.6
578.29041	0.8
587.12006	4.9
677.13037	0.9
695.14227	8.0
696.14917	1.8
713.15393	3.3
739.17035	2.0
865.20850	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.199
Annotation	Unknow
Peak:m/z	Relative Intensity
65.69788	0.9
69.39207	6.4
71.01378	1.8
72.18790	0.9
78.71450	0.8
81.03455	1.0
83.01407	5.1
85.02961	13.2
89.04000	0.8
89.11792	0.9
93.03431	1.2
95.05050	0.9
96.95981	1.1
97.02938	1.7
98.20639	1.6
98.57338	0.8
107.05020	2.1
108.47185	0.7
109.02975	11.7
111.00877	3.4
119.05022	2.8
121.02959	2.5
123.04539	7.9
125.02463	100.0
126.02791	3.3
129.01970	4.3
131.05067	1.7
133.02983	5.7
135.04483	2.7
137.02455	13.4
139.04007	2.6
145.02925	0.9
147.04509	0.9
149.02437	3.3
150.03165	0.9
151.04041	11.6
159.04456	2.0
161.02472	32.9
161.06073	2.0
162.03030	3.0
163.00354	3.3
163.04065	5.1
164.01199	6.4
165.01959	5.8
167.03476	2.3
173.02397	1.0
173.06078	1.6
174.03249	0.8
175.04012	14.0
177.01958	12.6
177.05519	1.2
179.03497	2.4
180.15057	0.9
187.04053	4.7
188.04781	2.1
189.01981	2.5
189.05501	1.3
191.01979	1.6
191.03516	1.0
193.05052	1.9
199.04002	3.9
201.02011	1.1
201.05580	1.9
202.06294	1.2
203.03470	2.4
203.07187	2.6
205.03471	4.3
205.05208	4.3
209.03017	1.6
215.03568	2.4
217.05113	6.1
219.02975	4.6
219.06604	1.4
221.08290	0.9
223.04630	4.1
225.05576	1.3
227.03407	1.8
228.04359	1.0
229.04996	2.0
231.02956	1.7
243.02995	15.9
244.03412	1.4
245.04649	9.4
245.08214	4.7
246.34015	0.9
255.03073	6.3
256.03745	2.7
257.04507	1.4
261.04044	5.8
269.04596	1.7
273.04059	2.1
281.04681	1.3
282.01758	1.1
283.02444	1.4
285.04086	3.6
287.05646	27.7
288.05881	2.1
289.07205	23.1
290.07690	1.7
299.05527	3.7
303.05042	2.6
329.06516	1.6
341.06537	1.9
381.09720	0.9
394.69272	1.0
399.09259	2.3
405.06149	4.0
407.07803	19.1
408.08145	1.7
413.08856	5.9
423.07132	4.6
425.08798	10.5
449.08963	4.7
451.10275	8.1
525.08655	1.9
543.09094	3.6
559.11890	1.1
561.10364	1.4
569.11206	1.2
575.11841	4.8
576.11798	1.0
577.13568	10.3
578.13971	1.1
587.12006	2.7
695.14417	6.7
696.14825	1.1
713.15131	2.5
730.55542	1.0
739.16284	1.6
865.19592	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	25.8
71.01394	9.4
73.40619	2.6
89.02454	5.6
91.53995	3.0
95.54971	2.6
101.02461	6.3
109.06613	9.1
111.04524	3.8
111.76313	2.7
113.02522	2.7
118.50372	2.6
159.04298	2.9
161.04584	2.7
183.13979	3.2
209.11850	9.5
229.68680	3.7
253.09258	8.5
255.23332	11.4
277.21765	59.7
278.22067	5.6
289.18112	100.0
290.18405	8.6
307.19202	6.2
325.89832	3.1
397.13632	5.3
525.26941	5.6
532.81506	3.1
533.67798	3.5
863.50519	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	865.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
71.24489	1.7
81.03461	1.1
83.01395	4.0
85.02933	1.5
85.52640	1.1
90.58790	0.9
93.03498	2.0
96.08577	0.9
97.02960	1.8
107.05069	1.4
109.02969	11.3
121.02982	1.7
123.04541	7.6
125.02462	100.0
126.02785	3.2
133.02971	4.0
135.04544	1.9
137.02464	14.4
139.04027	1.7
149.02458	2.2
149.06129	1.0
151.04033	10.3
157.66409	0.9
159.04553	1.0
161.02455	31.9
161.06104	2.8
162.03073	2.3
163.00404	2.8
163.04010	4.2
164.01109	5.9
165.01906	5.3
167.03520	1.8
173.06067	1.6
175.04033	11.9
176.04553	1.0
177.01967	9.9
177.05353	1.2
179.03534	2.7
182.58627	0.9
187.04027	2.9
189.01923	2.1
191.01889	1.3
191.03531	1.2
193.05080	1.8
199.04073	2.8
201.01953	1.5
201.05559	1.2
203.03497	3.3
203.07152	3.3
205.01541	1.1
205.05061	3.4
213.05643	1.4
217.05081	7.3
219.03014	2.5
227.03580	2.3
228.04424	1.3
229.04980	1.9
239.39796	1.0
243.03017	21.5
243.06639	1.5
245.04543	9.2
245.08150	3.2
255.02916	4.8
256.03760	2.6
257.04504	1.3
261.04163	5.3
269.04599	1.6
273.04105	2.2
281.04605	2.6
282.01682	1.1
282.87909	1.2
283.02527	1.8
285.04080	1.8
287.05664	28.2
288.05829	1.5
289.07175	19.0
289.10266	1.2
290.07394	1.4
299.05533	4.0
339.08893	1.7
341.06912	1.7
363.05151	1.6
371.67108	1.1
381.10001	1.2
382.49472	1.1
395.07437	1.5
405.06186	5.6
407.07797	16.0
408.08203	2.7
408.93750	1.3
413.08923	6.6
423.07361	5.4
425.08771	10.1
427.53574	1.0
449.08835	5.0
451.10434	6.6
525.08411	2.1
533.11090	1.4
543.09485	6.1
561.09949	1.5
575.11890	6.6
576.12134	1.1
577.13605	8.4
587.12360	1.7
695.14117	9.9
696.14966	1.3
713.14868	2.7
865.20197	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	6.7
74.97524	2.6
80.54258	2.5
87.51117	2.5
89.02457	5.3
97.02953	3.3
97.06618	2.4
101.02451	5.7
109.06518	2.5
113.02460	4.1
125.09749	3.1
163.11252	6.9
166.27438	2.4
172.68462	2.8
185.11803	4.3
191.14412	6.1
209.11824	8.5
245.19141	13.0
253.09343	14.4
263.20227	2.8
277.21747	100.0
278.22046	7.6
289.18106	69.9
290.18521	6.8
307.19165	48.2
308.19482	8.8
833.72198	3.0
863.49158	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	863.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77456	0.3
61.98833	0.3
69.03451	0.8
70.68159	0.7
71.01389	17.9
72.01728	0.4
72.70560	0.3
72.99315	1.5
73.02957	2.7
75.00861	0.4
75.36607	0.2
76.94698	0.2
79.71598	0.3
80.02681	0.8
81.03474	2.3
83.01399	2.0
83.05029	4.7
84.02164	1.0
85.02956	4.2
87.00893	4.0
87.04588	0.3
89.02451	14.3
93.03477	0.3
95.01405	1.1
95.05027	1.0
97.02953	2.7
99.00897	1.0
99.04520	0.3
101.02453	13.3
109.02966	0.5
111.00894	0.4
111.04517	0.6
113.02460	6.6
114.50597	0.3
115.04092	0.2
119.03521	4.2
121.02959	0.4
125.02462	6.4
125.06087	0.5
126.02717	0.3
131.03510	0.7
135.08183	0.9
139.04022	0.5
141.01917	0.4
143.03514	2.5
145.05064	0.3
147.11909	0.2
149.02448	0.3
149.04630	0.6
161.04588	3.2
163.11308	4.3
165.12833	2.0
167.03427	0.5
179.04048	0.4
179.05612	3.5
181.12381	0.8
191.10744	1.0
192.95448	0.2
199.06093	0.6
207.10347	0.3
209.11844	100.0
210.12178	6.3
217.07156	1.1
219.05179	0.3
221.06700	1.0
227.12906	11.8
228.13240	0.7
235.08253	5.1
245.06911	0.3
253.09306	0.8
255.23322	55.5
256.23657	4.1
259.08066	0.3
263.07751	0.5
269.24887	0.6
287.07800	1.7
305.08871	2.1
323.09796	1.3
361.11749	0.2
379.07968	0.3
379.12445	7.7
380.12872	0.8
397.13528	39.2
398.13882	3.4
415.14606	8.6
416.14899	0.7
430.69815	0.3
465.46024	0.3
589.25085	0.6
607.26184	0.7
635.36603	0.3
653.37604	1.5
863.49567	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
61.64802	0.2
69.03465	1.1
71.01388	16.5
71.37923	0.3
72.99326	1.4
73.02955	2.8
78.35897	0.3
80.02696	1.2
81.03466	1.9
83.01408	1.9
83.05038	4.8
84.02180	0.8
85.02957	3.1
87.00884	3.8
89.02453	13.6
90.02775	0.3
91.03996	0.4
95.01379	1.3
95.05028	0.7
97.02963	3.0
99.00900	1.0
101.02454	11.1
102.02810	0.3
103.04008	0.3
109.02922	0.4
109.06674	0.3
111.04560	0.3
113.02461	6.8
116.62865	0.3
119.03512	3.7
124.01656	0.4
125.02460	6.0
125.06068	0.6
131.03506	0.7
133.05066	0.7
135.08159	0.5
139.04031	0.6
141.01884	0.5
143.03532	2.5
161.04562	3.1
163.11310	3.3
165.12834	2.2
167.03447	0.4
179.05612	3.1
181.12378	0.7
191.10788	1.1
199.06125	0.4
209.11839	100.0
210.12175	5.3
217.07121	0.8
221.06697	1.1
227.12901	11.7
228.13174	0.8
235.08238	5.0
245.06618	0.4
251.12965	0.3
253.09224	0.9
255.23312	53.9
256.23657	3.9
259.08234	0.7
262.11972	0.3
263.07736	0.4
269.24915	0.8
287.07748	1.5
305.08829	1.7
323.09897	0.9
349.53613	0.3
361.10986	0.4
379.12445	7.7
380.12814	0.7
397.13525	37.1
398.13852	3.0
415.08972	0.4
415.14587	8.1
416.15033	0.7
495.08810	0.3
589.24084	0.4
607.26044	0.6
635.36346	0.4
653.37524	1.5
654.37915	0.4
863.51062	0.3
863.66925	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
63.41689	0.8
69.03457	1.1
71.01385	15.3
71.54551	0.9
71.54914	1.0
72.99329	1.6
73.02943	2.8
75.44833	0.7
79.16154	0.8
81.03458	2.1
83.01422	1.3
83.05045	4.5
84.02135	1.0
85.02956	2.8
87.00867	4.0
89.02441	13.0
95.01392	0.9
97.02956	2.6
101.02448	10.4
113.02455	7.7
119.03513	3.9
125.02464	6.7
128.40561	0.8
135.08234	0.9
141.01712	5.5
143.03508	2.4
157.38873	0.7
157.54178	0.7
161.04538	2.4
163.11293	3.1
165.12875	3.3
168.59416	0.7
169.45674	0.8
179.05569	4.0
191.96616	0.8
209.11845	100.0
210.12227	6.4
217.07178	0.9
221.06699	2.0
227.12883	13.2
235.08130	5.3
253.09206	0.9
255.23320	48.8
256.23651	3.2
273.85721	0.7
287.07748	2.0
305.08920	1.9
323.09921	1.4
325.38092	0.8
377.74612	0.9
379.12552	9.1
397.13525	35.4
398.13824	4.1
415.14581	8.6
607.26624	1.0
863.50214	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.27053	0.4
61.98854	0.7
68.91098	0.5
69.03466	1.1
71.01392	21.2
72.01697	0.5
72.99314	2.3
73.02968	2.8
75.00868	0.8
81.03465	0.9
83.01401	1.7
83.05054	0.6
85.02962	5.8
87.00893	3.5
89.02454	13.6
95.01415	1.6
97.02967	3.0
97.06607	0.8
98.20669	1.6
99.00903	1.5
101.02458	14.0
111.08180	1.0
113.02467	6.4
119.03503	2.5
124.01643	0.4
125.02438	3.3
143.03481	1.8
146.28033	0.5
161.04585	1.5
165.12856	6.4
179.05623	1.3
183.13925	43.6
184.14282	2.5
187.47903	0.5
209.11842	5.9
210.12152	0.6
221.06648	1.9
227.12927	3.4
235.08286	1.9
255.23318	61.9
256.23694	5.2
261.58847	0.6
277.21768	0.9
287.07791	0.7
323.09741	0.5
379.12292	1.4
397.13498	11.5
398.13925	0.8
415.14560	2.0
543.02551	0.5
607.26178	0.9
625.27258	1.1
653.37567	0.9
678.66730	0.5
817.78497	0.6
845.48810	0.6
863.50165	100.0
864.50525	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00360	1.2
71.01379	0.9
71.54957	0.7
73.02897	0.4
83.01415	0.5
87.82473	0.4
93.03481	0.5
96.96036	0.5
107.01410	1.5
108.02230	0.8
109.02975	1.0
121.02967	1.5
123.67293	0.5
135.00916	0.5
147.04532	3.6
148.01717	0.9
151.00383	7.6
163.00420	1.5
165.05603	2.9
175.03981	0.5
178.99889	3.7
207.06601	0.9
211.03943	0.5
226.02782	0.9
227.03558	2.1
243.03009	5.3
244.03581	0.7
245.04556	1.1
254.02228	1.3
255.03012	16.6
256.03470	1.1
271.02502	30.4
272.02869	3.6
273.04050	0.7
277.71671	0.5
283.02402	0.7
299.02063	0.8
300.02795	67.1
301.03488	26.5
302.03845	1.8
375.09412	0.5
401.91718	0.5
439.43591	0.5
579.43597	0.4
602.35522	0.4
609.14673	100.0
610.14990	15.1
644.66254	0.5
644.79620	0.5
693.00482	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98846	3.3
67.86745	1.7
73.76620	1.8
78.63890	1.9
78.95911	21.8
81.92814	1.8
96.96031	8.0
97.25758	1.8
116.92874	14.3
117.92833	2.3
140.01199	7.1
143.99753	1.9
152.99672	2.4
167.61844	2.0
196.03835	11.6
214.04863	2.1
233.34521	2.2
255.23311	100.0
256.23688	8.1
296.14517	2.4
298.61880	1.8
407.18896	2.9
438.69052	2.0
452.27841	79.4
453.28281	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	855.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48794	1.1
61.98827	6.3
69.03487	2.0
70.54147	1.8
70.54539	2.1
71.01396	10.3
73.02955	1.8
78.95914	1.6
79.95759	1.0
81.03447	1.0
83.05046	1.3
84.02217	0.9
85.02968	9.0
87.00886	1.7
89.02450	5.5
95.05035	0.8
96.96027	36.5
97.02972	3.5
97.06621	2.7
98.95593	2.6
99.00922	1.1
101.02467	7.4
109.06567	1.3
111.08164	10.8
113.02462	3.7
113.91553	1.1
115.70055	0.8
119.03530	2.4
125.02426	0.8
125.09749	1.4
127.07670	1.4
127.11301	1.8
133.05064	1.0
137.09732	1.7
145.50121	1.0
149.09755	0.9
151.11380	0.9
155.10765	1.1
159.01140	1.0
161.04553	3.9
163.11394	1.3
165.12874	2.7
167.10918	1.0
167.14388	1.1
169.12384	3.4
171.10307	21.7
172.10657	1.0
177.12837	1.6
179.05707	1.1
181.12347	2.1
183.13869	4.4
185.11865	1.7
193.12309	1.1
193.15935	1.1
197.11861	40.4
198.12149	1.3
199.09776	1.2
199.13380	2.2
209.11858	6.7
211.13414	22.8
212.13800	1.8
221.11874	2.8
225.11244	1.3
227.12929	2.8
229.14464	12.9
235.08301	10.0
239.12883	2.6
247.20700	2.0
251.16719	1.2
253.09319	36.4
254.09714	1.1
263.20154	2.3
265.18124	2.0
273.18643	1.2
291.19690	22.6
292.20023	3.0
293.21414	1.3
309.20752	87.0
310.20990	7.5
326.66537	1.0
327.21805	100.0
328.22177	8.0
545.29736	3.5
563.30634	5.6
619.42316	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	859.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56026	23.2
69.79449	3.6
75.00907	4.1
77.44401	3.3
82.48887	3.4
85.02950	6.1
89.02434	6.5
98.19932	7.4
103.00361	4.5
117.99648	3.7
161.04459	4.2
171.10304	14.2
211.13499	4.0
235.08324	26.2
253.09354	38.9
277.21780	89.2
278.22122	6.9
291.19595	6.9
309.20691	18.7
327.21780	100.0
328.22110	9.2
410.79004	3.9
513.30682	8.5
545.29529	13.2
563.30566	15.2
575.83148	4.2
823.52075	6.8
859.50269	25.0
860.49475	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	855.453
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	13.2
62.49054	3.8
64.44542	4.3
67.05721	4.1
71.01385	8.9
71.54120	6.3
82.09934	4.1
82.95432	5.7
83.05039	8.0
84.67166	4.2
86.03394	4.5
89.43822	4.5
96.96013	33.0
101.02431	6.8
125.02450	7.8
125.09665	4.8
125.88105	4.2
136.64796	5.1
160.22928	4.0
163.11288	6.0
169.08733	4.9
170.70421	4.0
171.10246	9.2
185.11948	5.3
191.36778	4.3
207.10249	11.9
209.11839	100.0
210.12083	6.7
225.11356	11.5
226.80798	4.6
227.06924	5.1
227.12912	21.3
253.09308	13.5
266.14682	5.1
305.17554	6.7
323.18890	5.1
334.87564	5.0
339.79007	4.5
341.23373	39.2
342.23480	6.7
445.20709	6.6
533.35028	4.7
769.44086	4.9
855.45026	27.3
856.46051	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	855.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98846	2.7
62.95860	2.3
62.96450	1.9
71.01379	2.4
71.28773	2.1
78.95897	4.0
79.95752	2.5
82.95451	5.0
96.96024	100.0
96.96967	4.0
97.95993	2.3
98.95600	32.7
98.96281	3.3
98.96481	3.1
99.00888	3.5
115.92113	2.7
116.92819	2.8
124.10519	2.5
171.59462	2.2
197.11896	2.5
209.11884	2.6
273.34186	2.5
277.21735	4.7
289.18021	2.9
293.21359	5.5
393.88116	2.3
475.59543	2.5
521.97223	2.5
855.46344	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	855.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	12.0
70.76107	8.7
71.01389	28.3
78.95916	7.4
82.95425	27.3
83.05048	5.8
85.02917	3.3
91.03636	3.6
92.59143	3.3
96.96027	70.7
98.95584	3.4
101.02425	7.9
104.90886	3.0
107.22489	3.3
109.06580	6.3
113.02473	3.4
113.06164	4.7
125.02432	3.9
131.04630	4.7
151.69368	3.9
161.04538	4.8
171.10295	16.8
181.12360	4.1
190.84415	3.5
199.09770	11.7
207.10324	18.5
209.11838	100.0
210.12189	5.0
225.11374	17.0
227.12894	22.3
235.08174	5.0
253.09290	15.8
293.21179	3.9
307.19156	7.7
308.19440	4.7
309.20593	7.1
327.21600	7.6
328.22256	3.4
435.19003	3.8
461.20468	7.3
539.28436	3.8
609.88477	3.3
627.29865	6.4
635.30261	4.1
645.31409	4.4
671.32806	9.7
672.33301	4.2
698.33026	3.7
855.40729	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	855.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	3.1
66.54884	0.9
69.03461	1.9
69.53327	7.9
69.98296	1.1
71.01389	28.5
72.99315	9.3
73.02946	4.9
75.00878	14.2
78.95914	1.3
81.03491	1.2
83.01398	2.8
83.05032	1.9
85.02953	20.8
87.00883	7.3
89.02450	9.4
90.02804	1.4
95.01407	4.9
96.96030	13.5
97.02958	1.9
98.19949	2.3
99.00901	10.5
101.02456	7.9
111.00869	1.9
113.02460	17.8
115.00343	1.6
117.01964	2.9
119.03554	1.8
125.02458	3.8
129.02003	2.6
130.76657	1.1
134.03729	1.1
161.04576	1.5
163.11230	1.2
171.10289	1.3
175.02551	1.3
185.11961	1.4
193.04970	1.6
195.06700	1.6
201.11328	9.1
202.11653	4.5
209.11847	21.4
210.12180	11.6
211.12384	4.0
227.12918	4.7
228.09108	1.1
228.13150	1.4
249.06227	6.6
267.07254	3.3
293.04611	2.6
297.16055	1.2
309.24359	1.9
327.25375	3.1
339.25394	3.6
357.26614	10.7
397.13416	3.6
398.13953	2.7
399.14081	2.4
413.08820	2.1
501.30701	4.2
519.32050	9.9
520.32147	1.5
561.32758	1.4
623.21155	1.2
647.37073	1.6
665.37720	3.0
765.30511	1.3
811.39758	100.0
812.39984	23.7
855.27502	1.9
855.41235	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	855.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	14.3
62.98110	3.0
71.01382	23.6
82.95412	7.4
83.05027	3.4
84.95108	5.7
85.02950	8.6
87.00911	3.5
89.02446	13.8
96.96013	29.3
101.02431	11.9
113.02446	8.1
116.92876	5.8
119.03452	5.1
119.05009	2.7
125.02448	10.0
125.64268	2.9
161.04523	4.8
163.11266	4.4
167.03461	3.9
170.02185	3.2
171.10254	11.9
179.05608	6.7
183.13921	5.5
209.11842	100.0
210.12108	9.0
211.13419	77.0
227.12967	26.2
235.08264	7.5
252.52766	3.4
253.09351	3.1
305.08963	3.2
330.20697	3.6
341.23303	4.3
379.12338	11.3
397.13544	52.9
398.14047	5.6
415.14661	9.5
578.24835	3.0
589.24664	6.1
591.26392	3.9
607.25708	8.2
609.27228	8.0
783.38690	4.0
801.39392	4.8
855.37866	23.6
856.38965	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	855.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	14.3
62.98110	3.0
71.01382	23.6
82.95412	7.4
83.05027	3.4
84.95108	5.7
85.02950	8.6
87.00911	3.5
89.02446	13.8
96.96013	29.3
101.02431	11.9
113.02446	8.1
116.92876	5.8
119.03452	5.1
119.05009	2.7
125.02448	10.0
125.64268	2.9
161.04523	4.8
163.11266	4.4
167.03461	3.9
170.02185	3.2
171.10254	11.9
179.05608	6.7
183.13921	5.5
209.11842	100.0
210.12108	9.0
211.13419	77.0
227.12967	26.2
235.08264	7.5
252.52766	3.4
253.09351	3.1
305.08963	3.2
330.20697	3.6
341.23303	4.3
379.12338	11.3
397.13544	52.9
398.14047	5.6
415.14661	9.5
578.24835	3.0
589.24664	6.1
591.26392	3.9
607.25708	8.2
609.27228	8.0
783.38690	4.0
801.39392	4.8
855.37866	23.6
856.38965	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	853.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99586	0.4
71.01389	0.2
78.95915	3.2
79.95744	3.7
94.92510	0.2
96.96023	100.0
96.96902	3.0
98.19887	0.5
112.98558	0.6
129.01987	0.3
148.15923	0.2
167.35173	0.2
277.21756	0.7
283.78195	0.2
306.74280	0.2
357.22900	0.5
408.70865	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
67.68701	0.7
69.03462	1.7
69.96189	1.4
69.96604	2.8
70.15099	0.7
71.01389	5.2
78.96683	0.7
84.02180	5.1
85.02955	2.0
85.87823	0.7
87.00888	1.3
89.02464	3.4
94.92519	1.4
95.05052	0.9
96.26855	0.7
96.96029	10.5
97.02974	1.4
97.06601	5.0
99.04530	0.8
101.01857	0.7
101.02438	4.1
111.08189	0.9
113.02473	2.4
119.03492	0.9
137.09720	0.8
139.40758	0.8
143.03575	0.8
161.04626	2.2
171.10287	13.5
172.10677	0.9
177.12810	1.3
179.14363	1.3
183.13963	1.1
193.12328	5.5
195.13921	8.5
196.14571	1.1
197.11810	2.1
205.12367	1.1
209.11867	1.1
211.13394	2.6
215.52885	0.8
223.13406	6.2
224.69933	0.7
225.14989	8.0
235.08278	3.9
243.15994	3.0
244.42453	0.7
253.09309	27.6
254.09540	1.8
256.13113	1.9
275.20151	8.4
289.17996	1.1
291.19659	1.9
293.21265	100.0
294.21539	9.3
309.20813	1.5
323.22308	1.5
341.23358	76.4
342.23767	7.2
497.54660	0.8
529.30035	1.2
577.32440	1.8
617.44189	5.2
744.01154	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
61.94096	0.4
61.98819	0.8
67.99761	0.4
69.03465	0.9
69.41402	2.7
71.01388	13.0
71.01783	0.6
72.99317	1.4
73.02959	2.1
75.00894	1.1
77.20101	0.4
79.94610	0.4
80.02683	1.4
81.03469	1.6
83.01382	1.9
83.05029	4.9
84.02174	1.0
85.02956	4.5
87.00871	2.7
89.01945	0.6
89.02455	10.3
94.11804	0.5
95.01420	1.1
95.05006	1.1
96.96012	10.3
97.02960	1.4
98.19868	0.8
99.00895	1.3
101.02451	7.5
109.06590	0.7
113.02460	5.2
119.03507	2.9
125.02483	3.7
125.06097	0.8
125.09736	1.9
127.11292	1.9
131.03557	0.7
131.04587	0.6
135.08141	1.2
140.74840	0.5
143.03532	1.8
155.10799	0.5
157.12335	0.5
160.57045	0.4
161.04599	2.0
161.32600	0.4
163.11328	3.7
165.01912	0.5
165.09238	0.5
165.12828	2.1
166.02701	0.6
167.03557	0.8
168.52948	0.4
171.10292	1.9
177.01886	0.5
179.05653	2.0
183.10138	0.7
191.10783	1.4
199.09842	0.4
199.13292	0.5
201.11337	38.0
202.11667	1.9
209.11841	100.0
210.12173	7.4
221.06731	0.8
225.11334	1.5
227.12906	15.1
228.13249	1.3
235.08264	3.5
251.13060	0.5
253.09462	0.7
267.07306	0.7
287.07837	1.1
305.08875	1.2
323.09970	0.9
379.12332	2.5
393.23074	0.5
397.13528	24.8
398.13959	1.8
407.35876	0.5
415.14627	7.0
416.15158	0.7
510.32962	0.5
564.38330	0.5
581.24493	0.6
589.25067	0.8
599.25702	1.3
607.25989	2.7
799.37994	0.7
809.38428	0.8
817.38324	0.7
853.38043	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98846	8.2
64.16776	1.5
68.99569	12.1
69.42456	12.1
71.01389	31.7
72.99316	4.0
73.02952	5.6
78.95912	6.2
79.95748	2.8
81.03452	3.6
83.01418	3.0
83.05051	4.4
85.02962	8.2
87.00883	4.2
87.98033	1.7
89.02460	16.7
95.01406	2.9
96.96027	35.5
96.96964	2.3
97.02965	4.2
97.06586	3.6
98.20631	2.5
99.00924	2.2
101.02457	15.8
109.06651	2.0
112.98590	11.8
113.02464	8.5
114.93414	8.5
115.00411	3.4
119.03529	3.9
121.21389	1.5
125.02459	4.9
135.08211	2.0
143.03561	2.6
147.03033	2.3
151.11308	12.5
161.04619	2.7
163.11331	5.0
165.12802	2.1
169.12349	61.3
170.12698	2.9
171.10283	6.8
179.05675	2.2
201.11391	2.6
203.35320	1.8
207.10262	4.8
209.11839	51.6
210.12146	5.4
211.13443	11.8
213.11342	7.7
221.06592	2.0
225.11383	3.1
227.13086	3.8
235.08286	2.5
265.07626	5.3
388.07669	2.1
397.13623	8.2
742.38562	2.2
799.37695	4.7
817.37994	2.4
821.38245	100.0
822.38562	25.6
835.39307	2.5
853.40656	16.6
854.40564	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	851.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	14.4
59.34766	0.7
61.98837	100.0
62.98560	0.8
67.36485	0.8
69.03470	1.4
71.01387	14.0
71.54350	0.9
72.99336	1.4
73.02944	1.6
73.73905	0.7
83.01422	2.0
83.05058	1.4
83.76427	0.7
85.02962	3.1
87.00912	2.0
89.02451	8.6
95.01405	1.0
96.96021	10.0
97.02989	2.0
99.00917	1.2
101.02464	8.0
111.08228	0.8
113.02464	4.6
119.03542	2.3
119.05009	0.9
121.57887	0.7
125.02490	3.3
129.01979	0.8
143.03513	1.3
161.04504	1.1
163.11275	1.4
165.12842	3.9
167.03500	1.1
171.10330	3.4
179.05658	0.9
183.13905	32.7
184.14310	1.9
192.25270	0.7
193.12387	0.9
201.11470	1.5
207.10345	1.8
209.11842	9.1
211.13420	32.4
211.15463	1.6
212.13826	2.0
215.13089	1.0
221.06808	1.1
225.11414	3.2
227.12944	3.8
235.08292	1.4
293.55737	0.8
397.13513	5.8
607.25836	1.4
625.27405	1.8
819.40253	44.9
820.40350	10.8
851.42584	12.9
852.42664	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	852.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92865	0.1
61.98838	100.0
62.98544	0.2
69.06123	0.1
97.16578	0.1
98.20704	0.2
134.50938	0.1
159.15587	0.1
237.86349	0.1
497.65665	0.2
533.67261	0.2
597.84290	0.2
642.70288	0.1
834.56531	0.1
874.60669	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	3.5
71.01402	0.6
71.53971	0.2
78.29560	0.2
78.95916	2.5
79.95744	3.6
80.96545	0.3
82.18038	0.2
92.92822	0.2
94.92509	0.4
96.96026	100.0
96.96905	3.0
97.95949	0.4
98.95636	0.2
109.84462	0.2
113.02522	0.2
171.10313	0.4
197.11844	0.3
209.11848	1.3
235.08276	0.2
265.07556	0.5
274.40796	0.2
287.23874	0.2
289.18713	0.2
307.08786	0.3
309.09863	0.2
309.20728	0.3
327.21692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02404	5.8
65.00324	9.9
69.89241	23.3
83.01383	8.7
92.92789	7.4
96.96006	15.0
103.92036	5.7
106.21479	4.5
107.01398	15.0
108.01642	6.5
113.36150	5.7
117.72717	4.9
129.21553	4.7
129.84346	5.3
146.49275	5.5
148.12624	4.8
149.44679	4.8
150.91269	4.6
151.00392	42.0
195.19299	5.1
197.19981	5.6
255.17543	33.4
407.18683	100.0
408.18933	19.6
445.32437	5.1
746.87115	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	851.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	30.9
61.98836	81.9
71.01394	39.1
72.99312	3.6
73.02951	3.8
83.01389	2.8
83.05010	2.7
85.02969	6.1
87.00872	5.6
89.02458	21.8
95.46471	2.3
96.96030	19.8
98.19904	4.2
98.95634	3.9
101.02449	19.7
102.50484	2.4
105.78736	2.5
107.07495	2.6
113.02474	10.7
117.03499	2.4
119.03535	3.7
119.05038	32.7
125.02453	9.3
134.02412	2.5
139.29605	2.7
161.02477	4.0
161.04538	2.6
165.12888	7.0
171.10324	5.1
183.13913	72.6
184.14273	3.5
201.11299	5.5
207.10306	6.3
209.11819	23.2
211.13393	65.8
212.13835	3.3
215.12891	5.1
221.06633	3.5
225.11305	10.1
227.12979	6.3
267.06622	9.1
281.08102	5.7
291.70792	2.5
323.27237	2.2
334.07932	2.4
389.17743	4.1
397.13589	13.2
407.18677	52.0
407.39841	2.9
408.19073	9.2
415.14331	2.7
469.14224	2.4
819.40186	100.0
820.40759	21.4
851.42438	22.4
852.42169	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	851.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	35.3
61.98835	8.1
61.99119	1.6
69.03447	4.0
70.69096	4.5
71.01389	73.1
71.05032	1.8
71.31808	1.4
72.99304	4.2
73.02949	8.6
75.00860	1.9
77.34945	1.6
78.95922	2.1
80.02673	1.7
81.03442	3.8
81.58589	1.5
83.01385	4.5
83.05036	9.5
84.02156	1.6
85.02953	11.5
87.00877	6.8
89.02455	21.9
95.01374	3.7
95.05044	3.4
96.96023	53.3
97.02948	7.2
99.00908	8.3
101.02457	19.4
109.02916	2.3
109.06596	6.5
113.02465	12.5
119.03504	5.9
125.02437	9.1
125.09718	3.3
127.11282	1.8
131.03494	1.9
135.08133	2.2
143.03500	4.3
155.10834	2.3
156.83014	1.4
161.04517	3.2
163.11288	11.7
165.12846	4.1
167.03587	1.7
171.10289	27.5
172.10625	1.6
179.05597	4.9
181.12360	8.7
183.13942	9.6
185.11801	2.0
189.09094	1.6
197.11829	4.2
199.13373	4.4
201.11340	19.2
207.10265	23.8
208.10521	1.7
209.11842	100.0
210.12192	6.0
215.12965	3.1
221.06641	1.7
225.11346	45.0
226.11639	3.3
227.12944	15.0
235.08221	5.0
243.12335	6.5
251.12834	2.1
253.09279	2.7
379.12329	5.2
397.13559	28.4
398.13721	4.4
415.14709	9.6
623.25250	4.8
645.32684	2.9
653.36041	2.4
807.40625	1.7
815.36975	5.0
833.37933	6.6
834.39447	2.4
851.39099	28.2
852.39807	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	851.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15147	19.2
71.16820	25.3
82.29250	23.7
84.05528	21.7
92.92805	100.0
96.96020	44.6
98.19899	80.0
121.22874	25.0
149.64990	22.3
151.00336	42.6
157.23273	22.4
282.91418	28.0
334.66425	22.4
341.23395	26.5
407.18692	62.8
408.18893	24.1
746.96582	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	851.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	9.4
67.69655	0.6
69.84834	3.1
71.01395	1.0
78.95911	3.0
79.95738	3.5
80.96566	0.6
96.96026	100.0
96.97013	2.6
98.20599	0.6
100.59431	0.7
119.05040	9.4
121.80549	0.6
209.11920	1.2
287.12888	2.1
305.14160	1.2
407.18655	14.1
408.18958	2.2
540.08209	0.7
702.19348	0.8
801.05719	0.7
851.41656	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	17.9
65.80513	1.6
71.01394	16.6
73.02930	2.6
83.01420	3.1
89.02469	12.5
95.05028	1.6
97.02948	1.8
97.05965	1.5
97.06596	6.4
99.00898	1.9
101.02458	13.0
125.02477	2.7
143.03539	1.9
151.11298	11.5
166.38870	1.6
169.12363	38.4
213.11337	5.3
255.23306	38.7
256.23816	2.6
263.32349	1.6
279.31854	1.7
397.13437	4.0
397.42548	2.3
687.09265	1.9
849.48627	100.0
850.48950	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	851.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.0
65.00344	0.5
69.59311	1.9
79.01899	0.5
83.01402	0.6
90.53310	0.4
104.47563	0.4
107.01383	0.8
109.02944	1.5
119.05006	1.0
121.02947	1.5
123.04623	0.4
125.02473	1.0
131.09962	0.3
133.02969	10.5
134.03331	0.4
135.04495	1.0
147.04541	1.3
149.02440	1.5
151.03967	0.7
161.02454	0.9
163.00414	1.7
163.03996	2.0
164.01099	0.5
165.01909	1.6
166.17662	0.4
175.04002	3.0
177.01953	0.8
191.03522	1.6
193.01439	1.2
197.11906	0.7
199.04054	1.7
201.01886	1.2
203.03589	0.6
213.05640	1.0
215.03659	0.5
225.05644	0.9
227.03577	0.6
227.07187	0.5
231.06601	0.6
232.28676	0.4
237.05579	0.5
240.04109	0.5
241.04857	0.6
241.10866	1.1
253.05141	0.8
255.02962	0.7
255.06633	0.8
269.04562	1.1
271.06186	0.5
281.04620	0.9
284.03287	8.8
285.04041	7.4
286.04498	0.9
297.00659	0.5
297.04077	13.9
298.04767	7.9
299.05621	16.4
300.05930	1.3
309.04175	1.0
311.05615	2.5
325.03656	1.0
327.05112	93.6
328.05472	10.9
339.05222	3.4
340.04919	0.5
341.06647	1.2
357.06189	23.9
358.06454	2.4
359.06573	0.5
365.06949	0.5
369.06097	2.5
370.06821	0.5
393.06204	0.9
401.18063	0.8
403.16238	0.7
447.09348	100.0
448.09665	12.2
449.09824	0.8
589.63782	0.4
699.58954	0.4
755.14813	0.4
755.50415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	81.0
60.01733	1.1
65.00332	0.4
71.01380	2.7
71.54832	0.4
73.02979	0.8
74.23148	0.3
81.03461	2.9
83.01407	0.8
85.02969	1.7
89.02460	0.7
96.96033	0.9
98.02121	0.4
99.00892	0.4
99.08221	0.5
101.02440	1.9
101.06102	0.5
113.02450	1.2
119.03509	0.4
123.08192	1.4
125.02473	3.8
125.06081	2.8
147.08199	0.7
150.54024	0.4
151.00412	0.7
165.09227	20.0
166.09570	0.6
167.03630	0.4
172.88174	0.4
178.76604	0.4
191.07178	1.5
195.06650	0.7
205.08578	0.4
209.08217	100.0
210.08537	7.2
212.49800	0.4
213.02045	0.4
233.08260	0.7
251.09256	0.9
297.00461	0.6
312.02945	0.9
371.13513	15.3
371.20755	0.8
372.14026	2.2
389.21915	1.8
431.22922	14.5
432.23328	1.6
475.08670	2.1
475.18649	0.7
576.98541	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	15.2
61.98833	12.7
68.99833	2.2
71.01388	20.9
71.54115	1.5
72.99322	4.4
73.02974	1.9
75.00887	11.4
78.95918	2.4
79.95774	2.4
83.01403	2.0
83.05038	2.9
85.02968	13.8
86.00170	1.2
87.00890	4.6
89.02444	5.9
94.92523	1.6
95.01379	2.5
96.96026	48.9
96.96964	1.9
97.02962	2.0
99.00893	23.3
101.02440	4.5
109.02929	1.5
111.00886	2.8
111.04619	1.9
111.08186	2.4
113.02451	12.2
115.00405	2.2
118.03162	1.3
119.03499	1.7
124.62241	1.2
125.02460	3.8
129.01949	1.2
139.11418	1.2
154.25282	1.5
163.11308	2.4
165.12863	19.5
166.13066	1.1
167.03552	1.2
171.10287	5.2
175.02414	1.6
177.02081	1.1
183.13916	100.0
184.14247	5.1
191.67308	1.2
197.11855	2.2
205.08633	1.2
207.10240	3.4
209.11827	17.0
211.13382	2.0
223.09807	4.9
225.11357	4.5
227.12897	10.4
249.06139	2.0
253.09636	1.2
397.13544	4.8
415.19775	1.7
511.29248	2.2
625.32263	10.0
626.33472	2.3
669.31439	20.9
670.31537	5.1
687.32367	70.7
688.32922	12.9
729.33661	2.6
831.36829	1.9
849.37775	25.6
850.37286	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	845.454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	17.2
63.98248	1.5
69.03457	1.6
71.01393	13.2
71.54366	1.9
73.02956	2.0
83.18158	1.2
85.02967	4.0
87.00896	2.8
89.02452	9.3
95.05018	2.9
96.96032	4.4
97.06599	15.1
101.02474	9.4
113.02483	5.1
119.03545	2.1
119.05049	3.7
123.08148	8.0
125.02476	4.2
125.09746	67.7
126.10118	1.4
134.18474	1.2
151.00317	2.3
157.19896	1.6
178.14275	1.3
187.09792	36.2
188.10107	2.0
201.19778	1.5
277.21756	27.7
277.24765	1.9
278.21954	2.0
397.13577	3.6
407.18903	1.9
455.67245	1.6
567.23254	3.2
585.23938	2.6
845.45551	100.0
846.45721	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	845.455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	17.3
61.98820	2.4
69.03462	1.7
71.01389	13.4
73.02954	2.1
83.01388	1.4
85.02948	2.8
87.00874	3.6
89.02451	10.1
97.06590	13.2
101.02457	8.6
113.02444	4.1
117.81081	1.1
119.03497	1.9
123.08169	6.9
125.02489	3.0
125.09739	100.0
126.10070	2.6
131.08366	1.2
143.10797	1.5
161.04553	1.7
169.08723	2.6
179.05597	2.1
187.09775	59.9
188.10106	3.2
209.11836	1.6
221.06651	4.6
277.21732	10.5
397.13516	1.7
567.22760	3.8
585.23834	7.6
607.52502	1.5
751.65521	1.3
765.61945	1.4
845.45441	99.6
846.45795	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	26.1
61.98817	2.5
62.84749	2.2
71.01392	19.0
71.54442	3.5
72.99318	2.9
83.05040	2.8
85.02953	3.4
87.00896	7.7
88.53605	2.3
88.98827	9.5
89.02448	15.5
91.01627	2.0
96.95996	5.4
97.02953	4.6
101.02436	14.7
113.02438	4.8
119.03481	3.7
125.02466	4.1
171.10234	2.9
179.05597	3.6
209.11745	2.9
211.13412	2.4
229.70580	2.2
235.08568	2.9
325.25464	5.8
341.24881	3.0
343.26215	4.4
359.21835	2.9
359.25958	6.8
369.24390	8.5
387.25500	14.0
397.13522	9.9
405.26437	23.2
406.26675	4.4
501.36789	2.3
560.95868	2.7
636.32208	2.2
768.19952	2.4
785.39655	100.0
786.39832	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	845.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81220	1.4
59.01382	9.8
69.16827	10.7
69.17226	1.4
85.02979	1.6
93.03441	1.9
96.96009	1.7
111.02237	1.2
117.03458	2.4
119.05066	2.5
135.04576	1.4
143.46144	1.1
147.04538	20.3
161.02330	1.6
163.04030	2.1
165.05583	18.0
177.47537	1.1
198.14435	1.2
203.07703	1.2
207.03004	1.8
207.06674	7.6
272.90268	1.1
281.04507	1.3
282.05408	1.5
283.06174	8.6
295.06192	4.5
295.73135	1.5
296.06879	1.4
297.07602	7.4
306.78931	1.4
307.06104	2.1
311.05658	8.6
311.92645	1.2
323.05627	6.0
325.07162	3.7
337.07166	2.8
339.05078	3.6
341.06662	2.3
351.04962	5.8
353.06717	18.7
354.07037	2.5
365.06635	1.7
369.06137	12.8
370.06516	1.6
381.06281	2.3
383.07852	6.1
399.07269	7.9
437.08777	1.7
455.09915	1.5
471.09225	2.6
472.09879	1.4
473.10687	7.6
489.10416	12.2
490.10733	1.8
557.13135	3.8
575.14081	100.0
576.14343	13.5
593.15112	46.1
594.15442	7.1
755.22015	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	16.9
65.00346	12.1
70.56335	10.4
71.01389	14.8
89.02460	24.1
92.52998	12.8
101.02454	19.5
107.01416	13.6
115.76076	12.4
116.92892	48.5
119.05052	14.9
124.53462	13.6
156.42122	11.8
171.10313	100.0
255.17514	12.9
255.23413	59.6
261.71024	12.8
312.79062	12.0
379.12384	21.6
397.13516	44.5
407.18457	15.0
435.17999	31.3
843.44873	52.0
844.44342	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	841.437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	19.6
60.49278	3.3
61.81950	3.0
61.98843	18.1
71.01392	14.7
73.02954	4.1
75.41174	2.8
83.05028	5.2
85.02972	6.3
87.00889	9.4
89.02469	6.3
93.03465	3.7
96.96031	25.9
98.20654	9.6
98.95609	2.9
101.02459	7.8
113.02454	5.1
116.92881	7.0
125.02488	9.1
153.28360	2.8
165.12834	3.9
167.03465	3.7
171.10258	12.7
197.11812	3.4
199.13603	3.0
201.11324	14.1
209.11847	100.0
210.12135	5.8
211.13414	5.5
225.11353	6.9
227.12808	18.6
228.13234	3.3
232.30067	3.5
233.11636	5.3
235.08174	21.0
253.09282	34.0
264.51950	3.1
291.19522	3.1
309.20767	13.4
327.21783	67.5
341.23471	14.6
369.29788	3.8
397.13812	4.5
427.51376	3.6
445.20993	14.9
461.76355	3.3
468.58124	3.1
473.97699	3.1
545.29846	12.2
563.30847	14.3
597.01367	3.4
755.42291	12.3
797.42212	5.8
841.43842	34.4
842.43561	8.9
842.69580	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	839.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62654	42.4
61.98832	77.2
67.59779	43.1
71.33607	100.0
77.96184	58.1
79.11877	48.3
87.44180	50.2
98.20338	50.8
116.92906	61.7
117.50491	64.7
127.38574	48.2
170.60252	52.2
184.86902	54.2
227.71120	57.0
248.24782	58.7
277.21951	81.9
302.58234	49.0
398.17075	54.9
468.14209	48.2
568.43433	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	7.5
61.98825	9.1
64.14136	8.4
70.60159	25.6
80.41654	7.2
96.96006	12.0
98.20615	8.9
116.92847	29.5
117.92919	11.4
118.92716	8.6
171.10327	12.7
172.34744	8.6
206.69048	8.5
231.34424	9.4
253.09175	16.7
268.17319	9.1
277.21735	100.0
278.22113	16.1
289.18130	42.8
341.23380	9.6
343.24838	32.0
354.71347	8.9
839.46735	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	837.5377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.4
61.98830	2.4
68.99564	1.9
69.03461	0.9
71.01400	5.5
72.99306	0.7
73.02947	1.5
81.03418	0.9
84.02179	4.1
85.02975	1.9
87.00880	2.1
89.02461	3.8
96.96033	10.1
97.02956	1.5
97.06613	4.4
98.19854	1.9
99.04544	1.3
101.02448	3.5
112.98579	1.0
113.02468	3.3
119.03487	0.9
125.09741	1.0
152.70567	0.7
160.52032	0.8
161.04539	1.7
171.10287	10.3
179.05539	0.8
183.13928	1.7
193.12375	4.6
196.30095	0.8
198.42343	0.8
211.13423	2.9
225.14949	8.2
226.15297	1.2
234.07959	0.7
235.08253	11.0
243.15982	4.7
253.09297	16.7
277.21753	100.0
278.22092	9.1
291.19595	1.7
305.21072	1.1
311.79791	0.8
323.22244	3.1
341.23343	71.8
342.23721	7.0
391.37201	0.8
455.84286	0.9
577.32086	1.7
601.45020	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	837.501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.5
61.98825	1.7
69.03470	0.7
71.01392	5.4
73.02953	1.4
78.91901	0.5
78.95929	2.6
78.96318	0.5
79.95747	0.9
80.96512	0.4
83.01399	0.6
83.05019	0.7
84.02178	0.4
85.02960	1.5
87.00946	1.1
89.02450	3.8
94.92521	1.0
95.05024	0.5
96.96026	14.1
96.96946	2.0
97.02956	1.2
101.02460	5.1
109.06637	0.4
111.08178	13.7
113.02469	2.3
119.03516	1.0
123.08150	0.5
125.02476	0.9
125.09708	0.6
127.07656	1.7
136.57709	0.5
137.09747	0.6
143.03537	0.7
151.11343	0.8
151.70175	0.5
153.12877	1.2
161.04570	2.2
161.15831	0.4
163.11298	0.7
165.12860	1.2
167.10800	0.9
169.12384	5.3
171.10260	1.8
179.05635	1.0
179.10780	0.6
181.12372	1.8
183.13928	1.2
193.12320	1.3
197.11858	64.1
198.12216	4.1
199.13426	3.1
204.75186	0.4
209.11890	1.0
209.15482	0.6
211.13419	10.7
212.13705	0.7
227.12881	2.7
229.29588	0.5
235.08275	1.7
247.20699	1.5
253.09320	21.6
254.09657	0.9
263.20233	3.9
265.18149	1.4
273.18579	1.6
277.21783	1.2
291.19702	26.7
292.19937	2.4
293.21094	0.7
309.20749	100.0
310.21082	10.2
325.20453	0.5
433.20929	0.6
527.28540	0.8
545.29370	2.1
546.30310	0.8
573.33856	0.4
601.41498	1.5
723.67389	0.5
836.47052	0.6
851.90289	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	4.9
62.91853	0.9
69.03439	1.4
71.01375	3.7
71.54817	1.5
73.02955	1.2
78.91891	1.1
78.95903	4.4
79.95741	1.0
83.01395	1.6
85.02953	1.9
89.02456	3.3
95.01408	1.3
96.96023	35.2
96.96988	4.0
97.02935	1.5
101.02480	5.0
107.65589	1.0
111.08160	12.4
113.02462	2.2
119.03482	1.0
127.07685	1.1
131.43558	1.0
153.09331	1.1
153.12883	1.8
161.04584	1.6
163.11256	1.0
165.12877	1.9
169.12363	5.4
171.10315	2.1
179.05598	1.6
181.12390	1.9
183.13812	1.5
197.11850	57.7
198.12213	4.1
199.13390	3.9
209.11752	1.6
211.13409	9.1
227.12810	2.3
235.08217	2.6
244.68330	1.0
253.09303	22.0
263.20117	3.0
265.18115	1.8
269.01096	0.9
273.18719	1.5
291.19693	30.8
292.20007	1.9
309.20755	100.0
310.21103	10.5
373.35715	0.9
545.29816	2.8
601.40222	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	69.8
61.98828	26.1
68.99571	17.7
69.88480	8.0
70.71570	12.5
70.71912	17.2
71.01389	58.8
79.95736	8.5
80.96518	21.0
82.95417	10.5
83.05045	9.9
84.89458	8.3
85.02965	25.5
89.02451	42.7
96.96011	89.1
101.02455	37.7
112.98573	25.4
113.02489	18.3
114.93462	10.4
119.03539	13.2
123.64814	8.3
125.02452	22.2
129.02023	9.2
161.04538	9.4
171.10262	20.8
183.13921	63.6
185.11859	38.7
197.11867	23.5
209.11844	76.7
211.13448	46.9
227.12901	21.8
233.15515	16.3
249.14900	14.6
329.23227	12.3
385.23935	15.1
397.13486	24.7
403.24759	16.2
421.25522	9.8
672.09406	9.4
783.38116	80.4
784.38849	15.3
793.38702	31.0
801.39252	71.0
802.39032	19.2
819.40295	48.3
820.40540	13.9
837.37024	100.0
838.38385	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	34.5
61.98838	66.8
67.51849	6.2
71.01384	32.5
71.53628	7.5
78.95934	8.1
79.95767	8.5
80.96520	7.6
83.05006	10.1
83.31472	5.4
85.02979	12.5
86.19551	5.6
89.02473	16.8
95.40736	6.0
96.87422	5.3
96.96021	100.0
97.02946	6.9
101.02467	11.7
101.50291	5.7
113.02460	8.0
116.92877	21.8
125.02431	7.0
150.96933	5.5
163.11275	7.0
169.12344	9.6
171.10376	8.6
183.13918	15.4
197.11813	14.1
207.10262	20.8
209.11844	71.3
210.12196	8.8
211.13393	10.1
225.11278	14.5
227.12930	20.9
232.43398	5.3
253.09413	8.7
287.16397	6.2
397.13998	6.1
503.85373	7.0
586.71234	6.2
616.56232	6.4
635.30804	25.7
636.31427	7.9
653.31567	31.3
671.32751	29.3
787.26630	6.0
805.39026	37.4
837.40314	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02404	5.9
65.00332	22.2
66.00668	0.5
68.99813	0.5
69.76340	0.7
69.76720	1.5
72.71587	0.3
73.42604	0.3
78.95931	0.5
83.01395	10.5
96.96020	1.7
98.19942	0.5
104.68498	0.3
107.01405	27.5
108.01745	0.9
125.02466	1.4
145.06636	0.5
151.00386	94.1
152.00720	3.0
165.01930	1.3
169.01395	2.1
177.01953	1.1
190.99751	0.4
197.11942	0.7
197.59598	0.3
200.12071	5.7
229.16014	1.1
232.11058	8.7
233.11372	0.6
252.63130	0.4
255.17566	47.9
256.17899	4.2
267.10300	1.4
281.15494	1.1
291.19711	0.7
297.18661	0.6
309.20724	0.9
321.18289	0.4
323.16504	2.7
345.14828	0.5
363.19711	0.5
407.18655	100.0
408.18982	12.5
429.16849	45.1
430.17175	5.4
837.35333	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
60.70290	0.4
61.98837	1.5
69.35609	2.8
80.96566	0.7
82.95421	1.4
83.15709	0.4
89.02419	0.4
93.03487	0.9
96.96030	4.8
98.19977	0.9
119.05046	78.1
120.05377	2.9
121.02987	0.5
125.02453	0.4
136.86269	0.4
142.24515	0.4
145.03003	1.5
145.07828	0.4
159.04478	0.6
185.09837	0.8
187.03951	0.4
203.07222	0.8
209.11900	0.7
213.12868	3.0
243.13765	0.7
255.10237	0.6
257.11847	3.2
259.13290	0.4
269.11963	1.5
271.13431	1.0
275.12982	1.6
287.09689	1.0
287.12909	17.2
288.13290	1.5
305.13925	4.8
377.17599	3.0
379.19226	0.6
407.18683	100.0
408.19000	14.3
411.15842	0.9
429.16876	4.9
430.17035	0.4
818.09686	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
61.00136	0.5
61.98819	1.0
62.64542	0.5
63.02392	2.6
65.00330	13.9
68.99820	1.3
69.36013	4.5
72.13094	0.6
78.95898	1.9
79.95712	0.9
83.01403	1.2
94.92519	1.4
94.98087	0.6
96.96021	15.5
96.96986	1.4
102.00014	0.5
105.07082	0.5
107.01401	1.3
107.05048	1.0
108.02243	0.6
109.06619	3.1
119.05018	0.7
124.06476	0.6
131.08664	1.6
132.05821	14.9
133.06619	29.6
134.06931	0.7
137.02483	0.8
147.08212	0.8
148.01648	0.7
149.06050	2.0
149.99614	1.4
151.00380	1.6
151.07648	7.2
161.09734	1.3
164.01196	0.7
164.04816	10.7
175.07674	12.3
176.01141	5.3
176.08081	0.7
177.01895	1.1
187.11301	48.0
188.11725	3.2
191.07153	1.9
193.08604	0.8
197.11859	1.1
213.09337	1.1
219.06639	80.2
220.06987	4.6
230.86345	0.6
233.08194	1.8
237.07791	0.8
245.08215	1.3
253.09241	0.9
253.12247	0.7
255.10298	1.3
277.21756	0.7
291.19608	0.9
293.21329	0.7
309.20703	2.5
310.44748	0.7
337.10928	1.2
363.19675	1.1
382.13553	0.6
407.18680	100.0
408.18970	12.4
429.16852	42.5
430.17145	6.3
493.24625	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82826	0.1
61.19979	0.1
61.98837	100.0
62.98552	0.2
71.33718	0.2
78.63236	0.1
80.96540	0.2
84.69527	0.1
113.18658	0.1
132.44762	0.1
180.53557	0.1
181.84985	0.1
278.22165	0.2
387.68585	0.1
837.48438	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	0.5
59.01387	12.2
70.85290	0.5
70.85641	0.5
71.01391	10.5
72.99322	1.0
73.02965	1.6
75.00864	0.4
76.78871	0.3
76.99941	0.3
79.95766	0.5
80.02663	0.7
81.03466	1.9
83.01393	1.5
83.05032	5.6
84.02171	1.1
85.02964	2.9
87.00874	1.9
89.02458	9.0
93.03473	0.6
95.01407	0.7
95.05038	1.0
96.96024	10.7
97.02968	1.8
99.00907	0.8
101.02454	6.8
109.06619	0.7
111.04525	0.3
112.98548	0.3
113.02471	4.7
115.95006	0.3
119.03527	2.6
124.01668	0.3
125.02459	3.5
125.06085	0.8
125.09737	0.5
129.95641	0.3
131.03516	0.7
135.08168	0.8
137.02480	0.4
139.04001	0.5
141.01941	0.3
143.03508	1.3
147.11818	0.3
149.02600	0.4
161.04588	1.9
163.11285	4.0
165.12846	2.9
167.03423	0.4
167.58778	0.3
171.10294	1.5
177.01857	0.4
179.05634	2.3
181.12338	0.9
191.10753	1.1
199.06421	0.3
199.13419	2.3
201.11349	0.3
206.91432	0.3
207.10201	0.5
209.11844	100.0
210.12202	6.2
211.13391	0.5
217.07463	0.3
221.06709	0.8
223.13417	0.4
225.11337	0.7
227.12914	17.4
228.13214	1.3
229.12321	0.3
229.14362	0.5
235.08263	2.6
247.13425	0.9
251.12794	0.4
253.09279	0.5
265.14386	0.4
277.09543	0.3
287.07779	0.7
305.08813	0.9
318.02505	0.3
323.09760	0.4
379.12570	2.7
397.13541	20.0
398.13840	2.1
401.06537	0.3
401.23279	0.3
415.14597	5.9
416.15042	0.8
419.24298	0.3
607.26038	1.1
624.64368	0.4
625.27002	0.4
791.37573	0.4
799.36920	1.4
817.38837	1.1
835.39032	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.398
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.5
59.01387	10.3
60.56756	0.2
69.03454	0.7
70.58496	0.3
70.58848	0.6
71.01391	8.6
71.05038	0.3
72.99312	0.7
73.02953	1.5
79.95738	0.2
80.02684	1.3
81.03458	1.5
83.01395	0.9
83.05038	5.7
84.02175	1.0
84.66718	0.2
85.02954	2.1
87.00878	1.8
87.04549	0.2
87.33067	0.2
89.02461	7.0
90.02816	0.3
93.03487	0.3
95.01385	0.8
95.05052	0.7
96.96025	6.8
97.02951	1.5
97.06616	0.3
99.00873	0.6
101.02453	5.9
101.03117	0.4
109.06573	0.3
111.26939	0.2
113.02466	3.7
119.03511	2.4
121.02996	0.5
125.02466	3.1
125.06071	0.4
125.09765	0.2
131.03542	0.2
133.05116	0.2
135.08188	0.8
137.02412	0.2
143.03513	1.2
147.67433	0.2
149.02487	0.2
149.04587	0.3
157.06210	0.2
161.04587	1.6
163.11322	4.0
164.11661	0.3
165.11604	0.3
165.12860	2.7
167.03520	0.3
169.12471	0.2
171.10265	1.2
179.05615	2.2
181.12386	0.8
185.11894	0.4
185.25244	0.2
191.10854	1.4
199.13431	0.8
203.81682	0.2
207.10233	0.3
209.11845	100.0
210.12186	6.8
211.13329	0.3
217.07118	0.3
221.06758	0.6
221.11906	0.3
227.12906	15.3
228.13232	0.8
235.08244	2.2
247.13336	1.0
251.13077	0.4
253.09366	0.6
263.07797	0.3
265.14517	0.4
287.07788	0.7
305.08844	0.9
320.09286	0.3
323.09912	0.6
379.12485	2.0
380.13010	0.4
397.13538	18.6
398.14148	1.4
415.14624	5.6
416.14761	0.5
589.25586	0.3
607.26105	0.8
656.71228	0.2
799.38202	0.8
817.38776	0.3
835.38751	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00611	0.9
59.01383	26.3
61.98837	10.8
69.03444	0.9
69.87164	2.3
71.01389	33.1
72.99315	2.2
73.02961	3.7
78.95914	1.3
79.95736	0.8
81.03469	1.3
83.01395	2.2
83.05034	1.7
85.02965	4.6
85.42827	0.6
87.00868	4.4
88.45829	0.7
89.02457	19.2
95.01388	1.6
96.96024	9.1
97.02966	3.1
97.06612	0.9
99.00880	1.4
101.02448	14.0
109.06620	1.3
111.00890	0.8
111.08156	1.4
113.02455	6.3
116.92908	1.3
119.03542	3.0
125.02454	5.7
125.09755	1.0
131.03497	0.8
137.02304	0.8
139.03957	0.7
143.03551	1.2
152.62012	0.6
161.04547	1.4
163.11330	1.5
165.12869	11.4
165.80423	0.7
171.10315	2.8
179.05638	2.0
183.13916	100.0
184.14246	6.6
184.23766	0.7
197.11766	1.2
198.62466	0.8
199.13466	1.8
201.11356	3.4
207.10301	3.2
209.11844	12.9
210.12280	0.8
211.13437	8.4
221.06783	2.5
225.11353	3.9
227.12906	11.8
235.08199	1.8
397.13589	7.2
415.14655	1.6
625.27075	3.0
628.27527	0.8
791.41272	4.9
792.40436	1.0
817.38446	5.2
835.39740	84.3
836.40009	19.2
836.55103	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.7
61.98824	0.1
71.01389	0.8
71.54422	0.1
73.02979	0.1
78.95917	2.2
79.95749	3.8
85.02987	0.3
87.00860	0.1
89.02454	0.3
92.82742	0.1
94.92490	0.1
96.96027	100.0
96.96901	2.8
97.02947	0.2
97.95963	0.3
99.00934	0.2
101.02460	0.4
108.11694	0.1
109.02966	0.1
113.02483	0.2
125.02460	0.1
160.41122	0.1
165.12863	0.2
171.10283	0.3
183.13918	0.4
189.92757	0.1
199.13405	0.3
209.11867	1.2
211.13420	0.7
216.78566	0.1
225.11375	0.2
226.90271	0.1
227.12912	0.5
381.82458	0.1
397.13654	0.4
578.80029	0.2
835.41333	0.6
835.54059	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27195	0.6
59.01380	0.9
64.20045	0.6
65.07172	0.6
71.01382	1.5
75.00867	1.3
77.69476	0.6
79.01880	0.7
85.02940	2.7
96.96029	1.1
98.19931	2.7
99.48172	0.6
105.03470	0.8
109.02953	2.6
113.02465	0.7
119.05036	1.1
121.02948	2.5
123.04630	0.6
125.02431	1.5
130.93565	0.5
133.02968	12.6
134.03740	1.9
135.04514	1.8
137.02464	0.9
138.05615	1.1
145.34598	0.6
147.04538	1.2
149.02454	2.0
150.03204	1.3
151.03975	0.6
161.02422	1.9
163.00388	2.0
163.04044	3.6
165.01932	1.9
165.05556	1.1
175.04034	3.6
177.01964	1.4
179.03407	0.8
179.18031	0.6
189.01935	0.6
191.01891	0.8
191.03532	1.6
193.01382	2.3
193.04999	1.5
199.04012	1.4
201.01912	2.2
227.07187	0.8
228.48180	0.7
229.83342	0.7
239.03540	0.8
241.05107	1.2
249.06143	1.2
253.05066	1.0
255.06610	1.0
269.04510	1.2
284.03326	9.1
284.06277	0.7
285.03992	7.3
297.04031	15.6
298.04770	8.9
299.05594	15.9
300.05920	2.1
309.04236	0.8
311.05582	2.4
324.02686	1.0
325.03513	1.0
327.05112	100.0
328.05478	14.1
339.05261	4.5
341.06876	0.9
357.06192	28.4
358.06537	3.8
369.06210	2.8
447.09351	93.1
448.09671	18.3
449.10330	0.7
716.19751	0.7
835.26721	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	833.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	17.0
60.82776	0.3
61.98830	0.6
70.76082	0.8
71.01384	2.3
87.00893	0.5
89.02450	1.0
101.02442	1.1
110.78862	0.3
110.83627	0.3
113.02491	0.5
140.24634	0.3
147.59448	0.4
161.04565	0.4
235.08220	1.3
253.09323	4.7
277.21735	100.0
278.22095	10.2
339.98138	0.3
344.83478	0.4
457.91974	0.4
480.54324	0.4
532.22540	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	1.3
59.01385	100.0
60.01712	1.2
69.03458	0.9
71.01389	45.0
71.54813	1.3
72.16106	0.7
72.99314	2.4
73.02955	55.6
74.03232	0.7
75.00877	1.7
81.03413	1.0
83.01398	15.6
85.02961	6.8
87.00876	2.6
89.02460	8.0
93.03473	0.8
95.01376	1.8
96.96023	3.1
99.00877	1.6
101.02451	43.1
108.74014	0.9
109.02971	1.8
113.02463	14.9
116.92869	2.4
119.03531	4.6
121.02943	3.5
125.02464	4.4
125.94024	0.7
131.03496	3.5
133.02899	0.8
134.03777	2.1
135.04578	1.5
137.02530	1.1
143.03502	3.2
143.18205	0.8
145.02818	0.8
146.03786	0.9
147.04576	1.2
149.02454	5.9
149.04558	5.5
149.06055	1.5
150.03210	3.2
153.01793	0.8
155.03503	1.8
161.02472	0.8
161.04591	11.3
163.03996	2.1
164.04765	1.7
167.03462	1.4
177.05554	2.1
179.07091	2.6
190.06384	1.9
191.03497	2.3
194.05818	2.3
203.05679	1.4
205.08647	2.2
207.06624	3.0
209.08148	2.4
221.06604	1.4
228.41722	0.8
297.07651	2.5
318.42328	0.9
324.32132	0.8
326.11456	1.4
357.13428	3.3
359.15009	3.8
426.83749	0.9
487.92880	0.8
507.20306	1.5
513.30682	0.8
537.21326	30.7
538.21619	6.6
567.22772	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.4
67.76436	0.8
71.01381	1.8
71.54323	1.8
72.99320	7.8
77.25748	0.8
85.02947	5.8
87.00878	2.1
91.05542	2.6
93.03459	1.9
107.05051	5.9
109.02898	1.3
117.03493	5.8
119.05019	0.9
121.02987	1.3
123.04525	0.9
125.02451	3.5
126.13103	0.9
131.05060	1.7
133.06604	6.7
135.04524	2.2
137.02481	1.3
145.23933	0.8
147.03001	1.8
147.04645	1.3
149.06093	27.8
150.06389	1.9
151.04073	1.1
161.02528	1.4
163.04039	6.5
175.04024	1.9
177.02010	5.3
177.05598	18.1
178.05862	1.1
179.03525	18.9
191.01996	2.8
193.04933	1.0
195.06715	1.1
209.03061	1.7
239.05627	80.0
240.05972	6.1
270.75964	0.8
282.05307	1.2
283.05975	1.8
289.07117	2.1
295.06091	1.4
296.06866	1.3
297.07721	10.6
298.08026	1.6
307.06085	1.3
311.05405	1.3
325.07086	4.3
328.05988	2.1
337.07217	2.1
353.06689	30.6
354.07117	2.9
356.05164	0.9
365.06555	1.9
383.07700	15.1
384.08105	2.1
395.07721	1.3
407.07962	2.5
413.08527	1.4
425.08777	4.0
473.11127	5.0
593.15137	100.0
594.15344	15.6
779.92438	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21227	0.6
59.01374	2.7
60.34583	0.8
69.96780	0.7
71.01360	0.7
71.55114	1.3
73.02955	0.7
75.62955	0.7
77.59483	0.8
85.02953	2.4
86.99189	0.7
87.00892	5.3
91.05547	14.0
92.44675	0.7
93.03419	1.1
107.01409	1.8
109.02967	1.0
113.58191	0.8
117.07133	6.1
133.06609	12.6
134.06879	0.8
135.04529	1.6
136.72809	0.9
137.02469	1.0
139.07678	0.7
151.00389	8.6
161.06093	15.2
163.00404	1.2
163.04027	23.5
164.04333	1.4
178.99855	3.2
179.07140	2.5
191.01926	1.5
223.06142	69.6
224.06514	3.5
225.57593	0.8
227.03465	1.4
243.02998	4.9
244.03418	0.8
254.02147	1.1
255.03018	12.7
256.03406	1.4
271.02515	26.8
272.02975	3.1
283.02557	1.0
300.02777	61.4
301.03473	23.9
302.03992	2.0
327.05167	1.3
447.09790	0.9
609.14655	100.0
610.15027	17.9
722.46826	0.9
851.39117	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00620	0.5
59.01387	100.0
60.01722	1.4
69.03477	1.2
69.40413	3.7
71.01391	25.3
71.73170	0.4
73.02956	31.5
74.03307	0.6
75.00908	0.8
81.25361	0.5
83.01401	9.1
85.02962	5.1
87.00929	0.6
89.02460	7.1
95.01402	1.1
97.02976	0.5
99.00895	0.7
100.35482	0.4
101.02457	34.5
102.02828	0.9
104.86377	0.5
113.02460	11.9
119.03507	4.0
125.02501	1.6
131.03523	3.7
143.03513	4.1
149.04594	7.4
149.21098	0.5
155.03557	0.6
161.04576	12.8
161.05890	0.6
162.04955	0.7
179.05759	0.5
203.05708	1.5
209.08281	1.1
221.06738	3.8
371.20740	3.6
373.22464	1.2
415.23718	1.8
647.35168	0.5
677.27191	0.5
854.35004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	18.8
59.01858	0.8
61.98848	5.8
67.01920	0.6
69.03453	3.2
71.01389	17.6
71.96953	0.6
72.99316	2.4
73.02950	2.3
78.95909	1.6
80.02693	1.2
81.03473	2.6
83.01393	1.4
83.05026	6.2
84.02187	1.2
85.02960	4.3
87.00886	3.0
89.02459	15.2
93.03501	0.9
95.01398	2.1
95.05036	0.8
96.96025	12.4
96.96964	0.9
97.02967	2.9
98.20628	1.4
98.96413	0.6
101.02459	11.4
109.02927	1.1
109.06604	1.1
113.02467	7.3
119.03498	3.5
125.02475	6.3
125.06084	1.1
135.11824	0.6
136.97179	0.7
143.03502	1.5
161.04538	3.3
163.11275	4.7
165.12807	2.4
167.10785	2.3
171.10245	1.4
179.05603	4.2
179.14421	2.9
181.12343	0.9
191.10703	1.3
195.13927	7.8
205.12357	7.1
209.11848	100.0
210.12215	6.7
221.06679	0.9
223.13409	67.5
224.13777	4.9
227.12915	13.8
228.13322	1.1
229.05672	0.7
235.08310	3.7
253.09219	1.1
261.14990	1.3
305.08789	1.9
319.73575	0.7
323.09753	1.4
327.21881	1.0
379.12476	5.0
397.13528	39.0
398.13953	1.5
415.14560	9.3
416.15057	1.1
589.25262	0.9
603.26764	2.5
607.26465	1.3
621.27795	5.9
771.41565	1.1
795.38055	1.6
831.50171	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	831.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	1.6
59.01386	71.9
59.98518	1.5
63.80692	0.8
69.03452	2.1
71.01391	44.0
71.01787	2.3
71.05014	1.2
72.99313	2.0
73.02954	72.6
75.00869	3.0
81.03450	2.2
83.01395	18.8
83.05035	1.1
85.02970	5.4
89.02450	1.2
92.92821	0.9
95.05014	1.0
96.96022	2.5
97.02946	3.5
98.03754	1.2
98.19937	2.3
99.00905	1.5
99.04523	3.5
101.02453	35.9
108.02233	1.0
109.02976	4.5
109.19408	0.9
111.04521	1.7
113.02477	11.6
122.03732	3.3
123.04590	1.0
125.02449	9.3
127.04030	1.5
137.09645	1.1
143.03534	9.0
147.03117	1.0
147.11778	2.7
149.04669	1.2
149.09740	3.0
155.03514	4.4
161.04532	4.3
163.11394	2.3
167.10796	100.0
168.11124	4.1
179.10805	1.2
181.12407	5.5
191.10797	34.8
192.11143	2.6
203.05643	8.5
204.06192	1.0
209.11841	23.9
210.12178	1.8
221.11864	5.6
227.12848	1.2
239.12923	2.1
263.12915	1.4
340.75510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.273
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	1.5
58.73906	1.0
59.01387	100.0
60.01731	1.2
61.98835	5.0
68.82824	1.1
69.03476	2.4
71.01393	49.4
71.01789	2.5
71.55502	1.5
72.01722	1.1
72.99316	3.4
73.02956	54.2
74.03268	1.7
75.00879	5.2
79.82613	1.0
81.03485	1.3
83.01395	19.2
85.02959	15.0
87.00897	2.7
88.98831	1.1
89.02457	12.9
93.03485	2.6
95.01405	3.0
96.96017	6.8
97.02947	1.3
99.00893	3.6
101.02453	62.0
102.02801	2.1
106.53833	1.1
108.02229	1.3
111.00881	1.6
113.02460	19.7
119.03506	4.4
121.02966	3.0
122.03757	5.9
125.02444	4.3
129.01990	1.5
131.03520	5.6
143.03529	5.7
149.02483	9.7
149.04529	6.3
150.03244	40.6
155.03502	1.1
161.04587	12.9
165.05598	36.1
191.02065	2.6
195.06656	21.5
196.06908	1.8
268.07471	2.0
274.09515	1.2
296.07086	2.2
308.06845	1.6
309.07587	1.6
311.09262	2.8
323.09470	2.9
338.11441	1.8
339.08807	13.7
354.11252	6.6
369.13458	27.8
370.13898	3.7
583.22351	1.7
656.24878	1.1
669.40814	1.7
831.46173	18.5
832.47021	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.273
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	2.1
59.01387	100.0
60.01728	1.5
61.98829	2.1
62.09157	1.3
69.03454	2.1
71.01395	46.7
71.25890	1.9
73.02954	55.2
75.00887	4.1
83.01383	15.9
85.02978	9.8
87.00880	3.0
89.02450	12.1
95.01369	1.8
96.96004	7.5
101.01804	3.0
101.02459	47.6
113.02464	18.8
114.02804	1.8
119.03525	3.3
121.02950	2.5
122.03770	1.9
125.02467	3.3
129.02061	1.6
131.03474	5.1
135.04541	1.5
136.01680	1.6
143.03505	3.8
149.02454	3.8
149.04552	4.1
150.03256	4.2
150.91821	1.4
161.02429	1.5
161.04602	8.8
163.04007	2.0
165.05606	4.1
174.18324	1.4
195.06616	3.9
339.08722	2.0
363.28876	1.4
369.13477	4.0
386.13797	2.3
387.14484	1.6
535.19696	15.7
535.31683	1.5
536.20166	2.4
580.66858	1.5
631.27307	1.6
787.38275	2.2
830.45123	2.4
831.46381	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	831.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	2.3
59.01384	100.0
60.01718	1.4
69.03459	2.4
71.01390	51.8
71.54635	1.0
71.55074	1.4
72.99301	3.5
73.02955	51.5
75.00878	2.2
80.46626	0.9
83.01398	15.2
85.02966	15.0
87.00880	3.3
89.02452	18.1
91.58524	1.0
95.01408	5.2
96.96017	2.8
97.02924	1.7
99.00909	2.1
101.02457	48.2
108.02190	8.8
109.02960	1.2
113.02459	31.8
117.02010	1.0
117.76712	1.1
119.03499	7.6
125.02444	4.5
131.03484	6.0
134.59686	1.0
143.03519	4.3
149.02441	4.0
149.04576	6.1
150.03259	9.5
152.01175	11.0
153.01912	2.3
155.03546	2.5
157.72757	0.9
161.04576	15.0
162.03229	4.3
163.03955	1.4
164.04767	2.2
165.05621	5.6
167.03362	1.0
174.03299	2.3
175.03954	1.4
177.05609	4.1
179.05626	1.2
179.07085	1.4
181.04985	1.1
189.05528	1.4
191.02003	1.3
195.06587	2.0
203.05537	1.3
207.06664	1.7
221.06601	1.5
229.25020	1.1
260.69507	1.1
268.07333	2.1
278.81778	1.1
279.06641	1.0
283.09763	1.0
285.04156	1.0
293.04465	1.0
296.07077	1.7
308.07150	1.3
323.09213	1.6
324.10107	1.4
327.08871	2.0
339.08899	5.0
342.11029	3.6
353.10345	1.8
354.11057	1.3
357.13559	7.2
369.13342	8.3
497.56146	1.2
505.18524	1.4
517.19916	1.2
535.19800	18.8
536.19965	2.9
547.20062	1.1
565.20587	2.4
599.03827	1.1
651.16974	4.1
831.24725	4.4
832.23663	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
60.01696	1.7
69.03458	2.3
71.01389	44.1
71.55344	1.4
72.99326	3.6
73.02956	63.5
75.00889	4.0
75.14704	1.1
83.01393	16.6
85.02956	10.5
85.19765	1.4
87.00876	2.7
89.02455	10.4
95.01393	3.0
96.96048	1.5
99.00892	2.0
101.02451	58.6
102.02794	2.1
104.12124	1.3
113.02474	16.4
119.03496	5.7
121.03008	2.4
122.03751	5.1
125.02412	1.9
131.03534	4.2
143.03542	5.6
147.03032	1.2
149.02440	13.0
149.04550	5.6
150.03249	35.0
151.03619	1.4
155.03520	1.9
161.04561	14.8
164.04747	2.5
165.05582	27.5
167.03511	2.7
180.04338	1.7
195.06641	19.4
196.07033	2.6
216.90744	1.5
221.06638	2.0
241.85544	1.1
296.07080	1.5
308.06830	2.5
309.07587	2.0
311.09305	2.1
323.09161	3.9
324.06305	1.5
338.11603	2.0
339.08746	14.7
340.09039	1.8
354.11133	4.0
369.13440	24.2
369.17737	2.2
370.13889	4.1
397.86597	1.3
427.11780	1.3
449.28217	1.7
494.67209	1.2
504.78958	1.3
517.18829	9.1
518.18958	2.2
535.19885	2.7
831.39813	4.2
832.38910	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	830.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.7
61.98832	4.9
71.01372	1.8
71.53343	1.7
73.21259	0.9
78.95914	24.9
89.02448	1.8
89.56723	0.9
96.96034	8.2
101.02438	1.3
113.02415	0.9
119.05022	3.3
125.02450	2.2
133.06570	1.4
140.01193	7.1
152.99545	2.5
171.10278	4.2
172.10579	1.2
196.03833	12.7
209.11874	1.7
211.29477	1.0
214.04851	2.0
277.21759	3.4
278.21988	2.0
279.23315	100.0
280.23654	9.2
293.21167	1.1
353.14017	9.7
354.14294	1.8
397.13477	1.8
423.18317	1.1
476.27866	85.4
477.28162	11.0
831.37122	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	4.9
65.00337	2.2
66.70979	0.8
68.99829	3.6
71.01655	1.9
71.52326	1.0
72.69567	0.9
79.64038	0.8
83.01408	2.7
91.01894	7.7
93.03468	1.4
95.01356	1.2
96.96048	1.1
107.05061	1.1
108.02203	0.9
110.00102	9.8
111.00915	1.0
119.05043	56.2
120.05386	2.0
123.00888	3.8
124.01691	1.1
125.02434	1.1
130.04230	1.4
133.06618	4.2
135.04514	1.0
137.02423	1.6
137.99622	8.1
142.68550	0.9
143.05034	1.1
145.02893	0.9
145.06540	1.5
149.02493	1.3
150.06874	0.8
151.00400	7.6
157.06598	2.5
159.08228	1.7
161.06065	1.3
163.00424	10.0
163.04033	10.7
165.01913	1.5
165.05493	1.1
165.99016	1.3
177.05577	2.6
178.06395	7.9
178.99887	2.3
179.07085	1.7
187.04065	1.3
187.11307	1.0
189.02025	0.9
190.99884	3.2
191.03551	6.4
191.07161	5.9
192.07700	1.1
203.07138	1.8
205.05112	3.0
206.05815	6.8
207.06549	3.3
215.03590	1.5
216.04286	1.8
217.08662	1.6
219.06639	11.5
220.07332	1.7
233.04599	3.5
234.05328	24.7
235.05937	3.6
243.06712	1.1
247.06140	2.4
248.06813	1.2
271.13440	11.6
277.21793	1.6
283.06091	1.0
287.16589	2.7
289.14471	8.4
297.07697	2.3
297.10983	1.2
312.13718	1.1
313.07019	0.9
315.41934	0.9
325.07135	5.1
325.10812	2.2
339.12411	1.2
340.13156	1.2
341.13858	2.5
352.09238	1.3
353.10321	6.6
354.11127	11.8
355.11542	1.8
367.11685	5.1
368.12665	100.0
369.13065	10.0
391.19171	32.9
392.19592	4.5
423.18149	2.8
437.19693	12.9
438.19693	1.3
470.17456	2.2
472.15219	1.2
473.16281	1.6
525.16498	1.2
635.39575	1.0
683.57257	1.0
760.32605	11.5
761.32684	3.1
784.72119	1.0
829.39539	22.0
830.39099	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	829.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99313	2.3
65.00340	1.5
68.99817	5.7
71.54472	2.7
79.01897	1.3
79.22364	1.2
83.01384	3.1
88.98826	10.4
89.02438	3.5
91.01891	7.9
93.03457	1.4
110.00122	9.0
117.81781	1.2
119.05042	69.4
120.05332	1.5
123.00877	2.6
130.04231	1.9
133.06593	4.7
135.04515	1.7
136.01610	1.5
137.02469	1.4
137.99617	8.2
143.05008	1.8
145.06618	2.8
149.02507	1.4
150.03120	1.5
151.00369	7.2
152.01154	1.3
157.06621	1.9
159.08122	1.3
163.00386	10.1
163.04045	12.8
165.01965	1.9
177.05608	4.3
178.06372	8.5
178.99908	1.8
179.07135	1.6
188.04602	1.2
189.05534	2.0
190.99873	2.7
191.03493	7.1
191.07146	7.9
193.25546	1.5
203.07053	1.8
205.05084	6.6
206.05858	6.7
207.06650	3.5
215.03401	1.3
216.04308	1.4
219.06673	11.4
220.07249	1.7
227.14357	1.5
233.04526	2.7
234.05354	25.3
235.05891	3.9
247.06110	4.0
248.07004	1.8
248.81734	1.4
271.13434	14.2
287.16403	2.9
289.14389	11.6
297.07773	2.1
325.07184	4.9
325.10754	1.5
341.14044	2.5
353.10178	7.0
354.11099	12.7
355.10605	1.2
367.11838	4.4
368.12677	100.0
369.13086	11.1
390.07156	1.3
391.19196	45.6
392.19437	5.0
423.17920	1.9
437.19760	22.3
438.19946	2.3
470.16876	1.7
542.57983	1.3
558.77893	1.5
760.32855	10.7
761.32916	3.3
829.39532	21.1
830.39551	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	829.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87445	0.4
58.00604	0.6
58.99472	0.4
59.01385	66.0
60.01724	0.6
65.00333	0.6
69.03468	1.0
69.37978	2.4
69.38383	0.9
71.01388	19.1
72.99313	1.1
73.02953	26.5
75.00907	1.0
81.03460	3.4
83.01392	8.4
84.49844	0.4
85.02957	4.0
87.00883	1.3
89.02459	4.9
95.01405	1.1
96.96037	1.1
97.02940	0.7
99.08161	0.6
101.02454	26.3
102.02834	0.7
107.01365	0.5
113.02464	10.7
115.30630	0.4
119.03524	3.5
122.02502	0.4
123.08182	1.6
125.02464	5.2
125.06079	4.4
125.21507	0.4
131.03551	2.5
143.03519	2.8
147.03021	0.5
147.08145	0.7
149.04561	6.2
151.00380	1.0
151.36749	0.4
155.03517	0.7
161.04572	10.8
165.09225	18.6
166.09547	1.1
171.32448	0.5
191.07021	0.9
203.05620	1.1
209.08206	100.0
210.08563	6.8
215.04298	0.4
221.06676	3.9
251.09232	1.0
353.19717	0.8
371.13486	14.4
372.13940	1.5
413.21930	1.5
788.35278	0.5
830.27289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.8
61.98820	1.8
64.33237	1.2
65.00328	2.5
68.99811	6.2
78.95907	1.5
83.01384	2.3
88.98846	1.6
91.01906	7.2
93.03475	2.2
94.91722	1.5
106.55508	1.4
110.00104	10.6
115.05501	1.3
119.05039	63.7
119.21505	1.2
120.05387	2.2
123.00905	1.9
130.04271	3.1
133.06596	1.5
135.00928	2.0
135.04562	1.8
137.02481	2.2
137.99576	8.6
141.99185	1.6
143.05077	2.1
145.06583	2.9
145.09181	1.5
149.02463	2.1
151.00363	5.9
157.06583	2.8
163.00375	12.1
163.04071	8.9
177.05600	2.6
178.06390	6.7
178.99754	1.8
188.04768	2.3
190.99898	2.0
191.03554	8.4
191.07155	3.8
201.05688	1.4
205.05066	5.9
206.05846	6.5
207.06599	2.6
219.03111	1.5
219.06612	11.7
227.14513	2.0
233.04489	4.4
234.05350	27.8
235.05956	3.1
243.06612	1.7
247.06117	2.4
271.13351	13.3
273.17072	9.1
277.21902	6.9
287.16702	2.3
289.14435	9.5
297.07758	1.4
313.44525	1.5
325.07166	4.1
325.10861	2.5
341.13733	2.8
353.10361	4.7
354.11118	11.2
367.11859	5.7
368.12643	100.0
369.12997	11.0
372.58475	1.2
391.19205	45.9
392.19431	6.8
407.18619	2.9
421.20206	2.4
423.17883	1.6
437.19751	25.0
438.19879	3.4
480.61545	1.4
760.33026	8.9
761.33521	1.9
829.39594	22.3
830.39990	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	825.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51830	25.4
61.98850	33.3
70.46911	100.0
70.47279	22.8
81.92035	25.5
82.01115	29.0
91.31522	27.5
130.37787	23.8
202.93497	28.6
277.21695	60.1
293.21304	76.8
385.45047	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	827.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00610	1.7
59.01386	100.0
60.01719	1.2
62.03730	0.4
69.03458	2.1
69.31788	2.1
69.32214	1.4
71.01390	45.4
72.99312	1.9
73.02954	67.8
74.03283	1.0
75.00875	1.3
81.03451	0.5
83.01396	18.1
85.02950	6.7
87.00876	1.1
88.21027	0.5
89.02454	10.9
95.01401	1.5
95.61331	0.5
97.02934	0.9
99.00881	1.2
99.04541	0.5
101.02455	53.3
102.02788	1.2
113.02465	17.1
117.01920	0.5
119.03517	4.1
125.02464	2.3
131.03529	5.8
143.03510	5.4
149.04567	9.4
155.03444	1.4
158.51788	0.4
161.04578	19.1
162.04778	0.8
203.05557	2.2
221.06668	5.5
289.16306	1.7
421.20880	9.5
422.20697	1.1
648.78210	0.6
768.36169	0.5
783.35254	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	20.8
59.94492	1.0
61.98836	1.7
69.32924	3.6
69.33343	5.7
71.01389	4.9
73.02948	1.3
81.03475	2.3
83.01385	1.4
83.05039	7.6
85.02958	8.3
89.02460	3.4
96.95989	2.1
97.02955	1.6
99.00866	1.8
101.02451	5.5
109.06578	2.3
110.62358	1.2
113.02488	1.8
116.92876	4.5
142.02687	1.7
161.04575	1.8
171.10246	5.5
177.12845	5.5
195.13939	1.6
203.10794	1.8
208.06454	1.3
221.11856	80.8
222.12160	4.8
235.08195	4.8
239.12900	30.4
239.15202	2.5
240.13216	1.7
253.09349	10.7
277.21753	100.0
278.21994	8.7
299.23419	1.2
299.27414	1.5
354.49030	1.1
457.20657	4.1
459.33575	1.2
475.21631	7.1
735.43365	15.6
736.42987	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	823.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	90.6
69.44480	48.6
83.80309	49.4
85.35171	48.0
96.96046	84.0
98.02232	63.2
185.06328	61.8
229.06165	60.8
277.21707	100.0
369.80225	52.3
840.20874	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01108	0.7
59.01388	8.6
61.98829	1.6
69.03458	1.4
69.33626	3.3
71.01391	7.8
71.04991	0.4
72.99310	0.5
73.02970	2.2
75.16845	0.7
78.95902	0.7
81.03478	0.6
83.01395	2.0
83.05064	0.8
85.02966	9.1
87.00891	2.1
89.02456	6.2
95.01431	0.7
96.87021	0.5
96.96022	11.5
97.02956	1.9
97.06598	3.7
101.02453	7.6
103.74746	0.5
111.02367	0.4
113.02456	4.0
119.03530	2.6
125.02442	1.1
125.09727	1.7
127.11283	1.6
133.05031	1.1
137.09741	2.0
143.03493	1.3
145.05077	1.5
151.00360	0.5
155.10786	1.2
157.05038	0.7
161.04605	3.4
165.12871	1.0
171.10295	18.8
172.10628	1.1
177.12833	0.6
179.05688	1.1
183.13889	3.6
185.11844	0.6
188.94589	0.5
193.12323	0.9
195.13896	1.1
197.11867	1.2
201.11314	0.9
209.11826	1.6
211.13423	13.8
212.13751	0.6
216.79672	0.5
221.11847	2.0
229.14442	8.5
230.14871	0.7
235.08255	14.5
236.08614	0.7
239.12900	1.5
253.09329	33.7
254.09671	1.1
259.20767	0.5
273.18564	0.5
277.21753	100.0
278.22092	8.7
291.19714	7.1
292.20160	0.7
293.21280	1.8
295.22842	1.9
307.19391	0.6
309.20743	19.3
310.21106	2.0
311.22214	1.2
327.21799	93.9
328.22150	8.3
408.19370	0.6
545.29706	3.1
563.30865	4.1
587.43365	2.1
790.22119	0.6
823.46777	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94665	3.7
58.09226	3.3
59.01382	14.5
61.98836	18.0
63.38218	3.5
71.01391	13.5
76.86143	3.5
83.05044	4.0
85.02946	7.2
87.00903	4.8
88.98759	3.5
96.96021	14.6
101.02454	8.3
113.02454	6.4
116.92876	7.6
121.02962	4.2
125.02474	5.7
133.37946	3.5
144.26009	3.4
171.10300	9.4
177.01987	3.7
185.43704	3.6
188.12584	3.6
209.11839	100.0
210.12157	8.6
225.11357	11.6
225.14922	6.7
227.12991	23.5
235.08247	7.1
253.09258	24.9
305.17679	7.2
341.23346	92.3
342.23761	11.6
353.06082	4.2
445.20392	5.0
577.32007	10.5
823.42688	61.6
824.43103	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	823.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	8.0
61.59777	2.2
61.98833	3.5
63.07269	2.2
69.55610	14.4
71.01395	10.6
83.05031	3.8
85.02943	5.2
89.02449	5.0
96.96013	7.6
97.02971	2.4
99.79507	2.0
101.02443	4.5
109.06585	5.5
109.74232	2.1
116.92863	4.3
119.05037	2.4
125.02466	5.7
125.09769	2.4
135.08188	3.6
162.13115	2.0
163.11270	5.7
171.10278	11.4
188.61317	2.4
193.12338	2.6
197.11835	5.0
197.59145	2.0
201.11366	4.5
207.10278	10.1
209.11842	100.0
209.13828	5.2
210.12248	5.4
211.13396	4.4
225.11446	10.4
225.14957	2.6
227.12859	20.8
235.08269	6.1
253.09268	17.0
270.96817	2.6
287.16476	3.5
289.18048	3.8
305.17554	11.3
307.19254	10.3
309.20981	2.9
325.20261	3.6
341.23352	51.5
341.29770	2.3
342.23849	4.9
445.21088	4.5
563.64105	2.7
577.32526	4.8
769.40375	3.1
823.42346	22.3
824.42462	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	823.389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	4.0
61.98837	3.6
63.82982	1.5
71.01386	20.9
78.95918	4.0
82.95420	14.6
83.05019	3.9
85.02956	1.7
87.00928	1.7
89.02496	2.3
96.96030	6.3
101.02441	2.9
109.06604	3.6
111.41776	1.6
113.06073	2.6
125.02512	2.1
127.42772	1.7
145.05049	1.6
147.82764	1.6
152.99573	2.0
163.11305	3.9
171.10269	10.6
199.09735	10.5
201.11359	4.5
207.10248	11.6
209.11845	100.0
210.12231	7.3
225.11346	13.1
227.12891	24.4
228.13274	2.2
235.08205	6.2
237.47765	1.8
253.09363	12.6
277.21655	2.1
289.18271	1.8
293.21185	1.9
307.19217	3.9
419.67801	1.8
443.19418	2.1
445.20630	2.1
456.59384	1.8
461.20078	2.3
609.29236	2.7
627.30646	2.4
645.31079	2.2
653.30255	5.7
671.33087	4.6
672.33405	2.7
823.38092	9.0
824.39136	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	821.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.8
57.55893	0.6
58.00610	0.5
59.01381	4.7
61.98835	38.0
69.03465	0.7
69.20511	4.9
71.01389	5.6
73.02934	1.2
78.91913	0.6
78.95927	0.9
79.95744	0.9
80.91705	1.8
80.96533	1.2
82.95430	1.0
83.01395	0.8
83.05022	0.6
83.05882	0.5
85.02953	1.2
87.00881	1.0
88.98792	0.6
89.02459	4.0
96.95461	0.9
96.96030	8.9
97.02975	1.2
97.06621	0.5
101.02446	4.5
111.08178	7.9
113.02448	3.0
119.03511	1.3
121.83015	0.5
125.09722	0.5
127.07665	1.0
135.43715	0.5
153.12863	0.8
161.04562	2.0
165.12854	1.2
167.10727	0.8
169.12328	3.0
171.10320	2.5
175.92647	0.5
179.05586	0.8
179.10745	0.8
179.14449	0.9
181.12396	0.9
181.62915	0.5
183.13870	0.7
193.12410	0.6
195.13924	8.0
196.14359	0.7
197.11852	35.8
198.12178	2.0
199.13380	1.9
205.12387	0.6
209.11809	0.6
211.13422	5.0
223.13443	5.4
224.14006	0.5
227.12894	1.5
228.13649	1.2
235.08260	2.0
235.17081	1.1
247.09569	0.8
247.20613	1.2
253.09309	28.6
254.09685	0.7
256.13263	1.2
258.91971	0.5
263.20117	1.5
265.10593	0.6
265.18198	0.7
273.18564	0.9
275.20163	7.0
276.20392	0.7
277.21692	2.1
280.23276	0.5
291.19678	17.4
292.20111	1.7
293.21262	100.0
294.21597	10.1
309.20740	55.8
310.21130	5.8
529.30359	1.0
545.29767	1.6
585.41718	2.7
821.40173	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.3
71.01392	7.8
72.99317	2.2
73.32111	0.8
75.00897	1.1
83.01370	1.4
84.02169	3.1
85.02960	100.0
86.03278	2.6
87.00893	1.8
89.02446	2.8
96.96026	4.4
97.72111	1.0
98.20677	2.1
103.00372	1.4
111.00864	1.5
115.00356	1.0
119.05028	1.7
125.02493	2.2
129.01939	5.2
133.01411	4.2
137.02429	1.2
147.03008	11.5
163.04042	2.0
173.00934	1.1
177.01938	2.8
179.03438	0.9
191.01990	47.8
192.02324	1.3
209.03052	90.7
210.03323	2.3
211.83635	1.1
355.06726	22.8
356.06934	1.6
454.56488	1.0
467.13556	0.8
527.63452	1.1
768.44397	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	100.0
70.54220	15.1
70.54559	15.9
78.95904	31.5
80.96532	16.0
96.96034	20.7
97.06589	8.5
101.02439	9.2
103.55415	12.7
140.23999	8.4
148.10649	10.7
152.99644	11.3
209.11856	84.6
225.11391	16.9
227.12868	25.2
270.43753	10.8
273.12811	9.6
289.18085	30.2
307.19159	29.2
341.23386	10.4
563.32422	10.7
821.41766	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.3
57.32308	1.0
59.01388	8.5
61.98840	55.5
66.42698	0.7
67.61131	0.9
71.01389	6.1
71.05077	0.8
73.02949	1.1
78.95898	2.5
79.95750	1.1
80.91710	0.8
80.96523	2.1
82.95441	0.9
83.01383	0.9
83.05042	0.9
85.02966	1.4
87.00877	1.2
88.98832	0.8
89.02459	5.0
96.96021	8.8
97.02965	1.7
97.06630	1.0
98.19838	1.1
101.02479	4.9
109.06610	1.4
111.04578	0.9
111.08192	4.0
113.02470	3.0
119.03503	1.0
119.05022	2.0
127.07624	1.3
149.26111	0.8
161.04562	3.7
161.92227	0.9
163.49014	0.7
169.12341	1.8
171.10281	2.3
177.12862	1.1
179.05606	1.0
179.14449	1.5
181.12344	1.4
183.13945	1.2
195.13936	13.4
196.14328	0.9
197.11862	18.7
198.12196	1.3
205.12378	1.5
205.16031	1.4
211.13403	5.2
213.30809	1.0
221.15402	2.8
223.13380	8.8
229.48511	0.8
235.08311	1.7
247.09523	3.2
247.20815	1.0
253.09329	34.8
254.09662	1.3
256.13181	1.2
263.20020	1.5
265.10638	1.6
270.81009	0.9
273.18634	1.4
275.20157	6.1
276.20590	1.0
276.55209	0.9
277.21692	2.1
291.19693	22.3
292.20001	2.4
293.21274	100.0
294.21597	12.3
309.20758	78.9
310.21152	7.1
391.19662	0.9
537.22748	0.9
545.29785	1.7
585.41846	3.1
644.90320	0.8
694.37689	0.8
821.39471	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	821.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.2
61.98842	1.1
63.73996	0.1
69.57565	0.3
69.57981	0.6
71.01392	0.4
73.01665	0.1
74.49294	0.1
78.95912	2.7
79.95749	4.4
80.96525	0.3
94.92544	0.2
96.96025	100.0
96.96902	3.1
97.95966	0.3
101.02442	0.2
125.93716	0.1
149.27382	0.2
151.19121	0.1
171.10384	0.2
173.99751	0.2
195.13982	0.2
197.11879	0.8
253.09286	1.1
277.21716	0.4
287.82764	0.1
291.19687	0.6
292.19727	0.2
293.21259	3.4
294.21716	0.2
309.20670	1.7
310.21002	0.2
465.09848	0.2
750.73492	0.2
821.41791	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
58.00603	0.8
59.01387	18.2
61.98829	0.8
65.13986	0.3
66.89669	0.3
68.99865	0.4
69.03461	1.2
70.76337	0.8
71.01391	16.0
72.99319	1.2
73.02967	2.5
75.00903	0.5
78.95920	0.4
80.02688	1.1
81.03049	0.4
81.03453	2.1
81.10054	0.3
83.01400	1.6
83.05038	5.7
84.02166	0.8
85.02961	3.8
87.00879	3.2
89.02457	13.4
95.01402	1.4
95.05026	0.8
96.96026	7.4
97.02973	2.2
97.06632	0.4
99.00904	0.8
101.02448	12.5
101.03117	0.6
109.02986	0.4
111.00837	0.4
113.02465	7.0
115.03979	0.8
119.03535	3.7
125.02477	5.2
125.06104	0.7
133.05064	0.5
135.08139	0.4
137.02386	0.5
141.01958	0.4
143.03513	2.2
149.04575	0.7
161.04575	3.6
163.11322	5.1
165.12878	2.6
167.10861	0.5
167.14458	0.9
169.04987	0.4
171.10329	0.8
179.05632	3.9
181.12331	0.9
183.13934	6.3
184.14146	0.5
191.10765	0.9
193.12355	1.6
199.13367	0.6
207.10303	0.5
209.11853	100.0
210.12204	6.6
211.13414	79.8
211.17584	0.5
212.13748	4.9
217.07207	0.7
221.06758	1.2
223.13458	0.4
225.11360	0.5
225.75684	0.4
227.12924	16.8
227.15187	0.8
228.13239	1.0
235.08255	5.0
249.14980	0.7
251.13123	0.6
253.09306	1.0
263.07809	0.5
273.58655	0.4
287.07721	1.8
305.08847	1.6
323.09747	0.6
379.12585	5.2
397.13541	35.2
398.13794	2.9
406.42856	0.4
415.14639	9.2
416.15018	0.6
495.24771	0.4
591.26794	1.2
607.26050	1.0
609.27765	3.4
783.38104	1.2
801.38751	0.8
819.39221	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.7
58.00560	1.8
59.01388	29.9
61.98836	9.6
68.99567	3.2
69.03458	2.5
71.01389	25.4
71.54404	2.4
72.99318	2.3
73.02956	2.7
78.95889	3.7
79.95737	4.9
81.03468	3.3
83.05036	4.2
85.02962	9.1
87.00872	5.0
89.02457	22.2
95.05006	2.1
96.96027	70.0
97.02957	2.9
97.06593	3.9
101.02470	17.8
102.23801	1.8
109.06611	2.6
113.02438	10.5
119.03518	4.2
125.02448	8.4
125.03254	1.9
129.01950	2.6
135.74310	1.8
143.03514	2.2
155.10869	2.1
161.04546	3.3
163.11264	4.7
165.12885	9.0
169.08763	2.4
169.12358	3.5
171.10297	12.2
179.05621	3.6
183.13913	64.1
184.14250	3.5
193.12344	6.2
199.13326	1.8
201.11311	4.1
207.10336	3.3
209.11841	84.5
210.12244	8.8
211.13440	72.7
212.13741	4.9
225.11320	4.5
225.14922	6.1
226.11629	2.3
227.12851	11.1
235.08205	6.4
243.16010	3.8
249.14876	2.4
253.09285	10.9
273.16968	3.9
299.01077	1.9
323.22275	2.1
325.20316	3.1
341.23325	42.8
342.23657	4.3
390.01083	2.0
397.13596	19.0
398.13852	3.0
415.14191	3.8
447.37085	1.9
529.06506	1.9
533.34845	3.5
607.26245	2.4
801.37939	4.0
819.40259	100.0
820.40668	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83986	6.3
59.01398	6.1
61.98835	100.0
62.00814	6.2
64.30678	6.2
69.88712	29.8
78.91895	5.9
80.96526	21.2
96.96020	21.9
99.44241	6.1
101.63608	5.8
119.05016	28.4
130.21031	6.5
164.98578	6.6
197.11835	10.3
225.00864	6.3
231.26146	6.1
255.64856	6.2
263.09003	6.2
291.19656	46.1
293.21210	12.3
307.19101	6.5
309.20605	21.2
374.60068	7.7
391.19159	18.6
819.41595	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	819.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98846	29.5
62.65772	15.1
71.01378	15.3
71.54228	27.9
76.81821	15.9
79.95744	15.5
80.96529	100.0
87.00878	16.3
90.24730	12.6
94.92519	92.8
94.98103	45.8
96.96032	32.7
111.08205	14.8
111.30849	12.4
119.05020	51.7
132.12730	14.9
183.10504	14.0
197.11845	22.1
225.00752	19.6
253.09148	21.0
259.16760	13.5
271.13654	19.0
277.21893	14.4
285.84460	17.9
290.30197	15.5
291.19720	93.3
309.20712	52.6
322.63159	14.8
391.19272	55.1
558.88971	16.1
724.72205	18.3
800.69537	17.4
819.41290	75.9
820.41205	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	819.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08279	9.1
61.98840	100.0
69.51736	60.1
78.91897	11.9
78.95873	10.1
80.96502	11.6
96.00928	9.8
96.96021	39.1
98.19859	11.3
135.00905	25.9
153.01894	11.4
166.69769	10.1
184.89981	9.3
208.13489	41.7
211.35490	9.9
248.46033	10.1
255.17615	22.2
291.19510	10.6
298.98630	10.9
325.97836	8.6
370.31165	10.5
391.19196	40.5
630.12378	11.3
636.72137	9.7
819.46503	32.3
825.06494	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	818.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.3
61.98838	100.0
62.98533	0.2
71.01391	0.4
80.96532	0.3
89.02459	0.2
96.96038	0.4
98.19881	0.3
101.02480	0.3
109.06676	0.2
119.03548	0.2
125.02492	0.2
174.04794	0.1
209.11864	0.6
211.13481	0.3
227.13042	0.1
253.09183	0.2
527.34967	0.1
818.39197	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	818.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.2
61.98838	100.0
62.98544	0.2
71.01436	0.4
78.95935	0.1
80.72846	0.1
80.96523	0.2
89.02481	0.1
94.98137	0.1
95.00705	0.1
96.96056	0.1
101.02457	0.2
138.71396	0.1
163.11356	0.1
177.12964	0.1
177.96545	0.1
185.11896	0.1
195.13905	0.1
209.11890	0.5
210.12268	0.1
238.07233	0.1
239.80551	0.1
245.19124	0.2
253.09351	0.2
275.20352	0.2
276.54605	0.1
276.81088	0.1
277.21732	0.2
278.22205	0.2
289.18161	1.2
291.19769	0.4
293.21301	1.6
307.19193	1.0
415.55826	0.1
573.71368	0.1
819.43018	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
59.01385	100.0
60.01731	0.8
61.98837	15.8
71.01385	3.0
73.02953	0.7
78.95939	0.5
79.95748	0.5
80.96528	3.4
81.46524	0.4
83.01411	0.7
85.02979	0.7
87.00869	0.6
89.02445	1.9
90.61836	0.4
94.98123	0.6
96.96064	1.2
97.02953	0.5
101.02459	2.3
103.16501	0.4
109.03039	0.5
113.02486	1.2
119.03522	0.6
121.02950	0.6
125.02447	5.2
137.02518	0.9
139.04039	0.7
139.33681	0.4
141.01724	50.9
142.02103	0.9
143.03625	0.6
153.01706	0.4
161.04622	0.4
167.03577	2.1
177.02010	1.7
179.05589	0.6
190.45847	0.4
197.11836	3.4
207.10234	0.5
211.13533	0.7
220.19444	0.5
225.00742	0.5
235.08281	0.8
253.09546	0.6
274.50449	0.4
277.21710	6.1
278.22153	0.6
305.06693	1.1
309.20816	0.9
359.22018	3.8
360.22546	0.7
397.13556	11.1
398.14005	1.1
415.14749	2.4
419.11554	2.6
437.12711	3.5
559.42023	0.5
668.14325	0.4
675.35846	1.0
697.34290	2.1
816.50806	0.5
817.37695	0.9
817.51434	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.46
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.2
58.00586	1.5
59.01385	26.8
61.98846	8.6
69.30817	8.2
71.01391	22.3
72.99333	2.1
73.02950	3.7
75.00871	1.2
80.96519	2.8
81.03468	1.4
83.01398	2.3
83.05041	1.3
85.02953	9.3
87.00889	3.2
89.02461	13.3
89.47906	0.9
89.74114	0.9
96.96026	16.7
97.02950	1.8
99.00897	2.0
101.02450	12.4
103.80684	0.9
104.33330	0.9
109.06578	3.1
113.02456	8.9
119.03522	3.0
119.05030	1.8
121.06575	1.1
125.02467	3.6
133.43161	0.9
135.08226	1.7
143.03506	1.9
149.06119	3.7
150.06886	43.2
151.07283	2.3
161.04556	2.3
161.09752	1.8
162.06830	1.1
163.07652	8.8
163.11307	1.9
164.08438	19.5
165.12831	2.6
171.10324	3.2
179.05670	2.2
179.10788	22.7
183.13892	6.5
206.38412	0.9
207.10333	6.5
209.11862	23.1
210.12151	1.7
211.13411	6.7
213.17722	0.9
222.39500	0.9
225.11372	4.3
227.12912	2.9
231.14055	1.1
247.13347	1.0
295.22794	4.2
313.23773	3.2
327.21869	1.7
339.23090	1.3
383.22495	1.8
385.12753	0.9
397.13495	5.7
401.23434	1.4
419.24472	1.6
457.33844	1.4
475.28790	11.2
475.34583	2.7
476.29269	1.6
493.35739	1.5
637.40289	3.8
654.40179	3.7
655.31274	1.7
655.40930	21.4
656.41211	3.7
713.30310	1.3
799.37463	6.5
800.37854	2.0
817.46265	100.0
818.46484	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.499
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96249	3.9
70.80419	8.4
71.01389	11.1
76.79468	3.7
78.98599	6.5
79.95747	14.1
80.96530	100.0
94.98091	15.0
101.02445	4.7
106.98111	4.0
122.97585	6.5
130.84500	4.0
148.99135	8.6
164.98645	14.1
206.99522	4.0
214.86375	4.3
225.00789	21.2
474.45981	4.1
815.49890	98.3
816.50018	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.9
59.79520	0.8
61.98822	1.2
71.01392	3.6
74.65108	0.8
78.95921	2.0
80.02676	1.3
81.03494	1.0
83.05032	4.4
85.02967	1.0
89.02457	2.4
101.02457	2.4
111.10328	0.8
113.02432	1.6
120.93579	0.8
161.04599	0.9
163.11273	3.6
165.12852	1.8
171.10318	1.1
191.10699	1.3
209.11848	100.0
210.12160	7.2
227.12891	12.2
235.08229	3.3
241.01300	1.1
253.09326	7.6
255.23264	1.6
277.21741	73.0
278.22125	7.7
309.44128	0.8
365.48569	0.8
398.21719	0.8
407.18268	1.5
445.20901	2.5
513.31152	1.2
797.40942	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.5
61.30695	1.4
61.98840	46.1
71.01395	1.4
71.54842	1.7
78.98604	2.0
79.95726	2.7
80.96515	16.9
93.03451	1.9
94.98087	3.3
96.96017	2.0
108.02173	3.8
109.02962	2.1
113.31806	1.5
119.05045	19.0
121.02962	3.4
122.03762	4.8
123.04519	2.7
133.02969	1.9
134.97633	1.7
135.04538	1.6
152.98608	2.0
159.08150	1.4
161.02448	3.0
177.12782	2.1
177.77975	1.6
185.11594	1.5
203.07140	14.6
209.11853	4.3
225.00760	3.4
236.74753	1.5
239.07109	1.5
245.15472	12.8
255.06653	3.7
267.06488	3.0
271.13406	2.3
287.12900	4.9
299.12848	3.1
320.62448	1.6
363.19635	3.2
379.19193	35.0
380.19513	3.1
407.18658	100.0
408.18933	15.7
571.00037	1.6
815.50317	14.1
816.49396	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	815.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86769	0.3
59.01382	1.4
66.88280	0.3
69.21719	2.8
72.46579	0.3
85.02959	1.7
87.00880	4.8
91.05544	14.6
92.05871	0.6
96.96017	0.5
97.06863	0.3
117.07123	6.0
125.02495	0.5
133.06615	12.8
134.03720	0.5
134.06963	0.3
135.04596	1.5
161.06097	18.8
162.06401	0.9
163.04022	27.5
164.04337	1.5
177.05562	0.6
179.07169	1.9
185.82286	0.3
186.66429	0.3
191.01952	1.2
193.05112	0.4
205.05096	0.8
223.06133	100.0
224.06473	5.9
294.35583	0.3
297.41620	0.4
309.52808	0.4
325.13092	0.3
327.05099	0.7
357.48376	0.3
447.09537	0.5
495.84082	0.4
604.93347	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	7.2
60.82246	3.7
61.98837	35.6
69.47574	20.5
71.01402	4.7
80.96516	16.6
96.96017	9.7
108.02124	4.1
112.18626	3.7
119.05022	35.5
141.01733	4.2
150.42564	3.6
165.01802	4.4
165.16985	3.7
197.11885	5.4
203.07150	11.5
209.11809	8.7
245.15442	8.7
287.13010	4.7
309.20743	7.0
363.19720	3.4
379.18939	20.9
407.18674	100.0
408.18970	15.6
525.20197	4.1
788.42322	4.0
815.50201	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	815.204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.6
63.72795	1.5
72.99316	24.8
73.02959	2.0
73.63223	1.4
75.00874	2.1
81.07108	1.9
83.01392	2.8
85.02934	2.0
85.06619	1.6
90.21785	1.4
95.31943	1.8
99.08175	11.2
109.02996	9.2
111.04555	2.0
113.06096	4.4
115.07667	81.2
116.08029	2.9
121.02962	3.3
123.00922	1.7
125.02462	84.3
129.05592	43.4
130.05849	2.0
135.04544	1.8
137.02443	20.3
139.04037	9.8
143.07152	28.9
149.02457	4.3
151.03979	3.7
158.72044	1.4
159.06651	3.2
161.02489	1.7
164.01183	3.1
165.01920	8.9
167.03566	9.1
175.04008	5.1
175.20758	1.5
177.01947	63.4
178.02371	4.4
179.03549	9.7
179.95099	1.4
187.03975	2.8
194.17303	1.7
204.04324	1.5
205.07182	100.0
206.07532	5.1
215.03502	3.3
217.05003	2.9
219.06636	5.9
221.04675	4.2
229.05090	3.1
229.33112	2.2
233.35023	1.7
243.02974	3.9
243.06427	2.1
255.03009	9.7
256.03717	2.4
257.04581	1.9
261.04062	3.3
269.04443	2.1
273.04114	6.5
283.02496	10.8
285.04108	2.1
297.04059	4.5
303.04993	9.9
305.06677	42.3
305.10162	2.2
306.07043	3.0
315.05130	4.0
328.27386	1.6
330.81223	1.7
369.06094	2.3
390.32526	1.8
423.07263	66.6
424.07700	8.7
438.30170	1.9
441.08286	59.9
442.08487	8.6
483.09531	13.9
513.69135	1.9
609.12665	47.0
610.12555	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	813.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	9.2
61.98841	7.0
71.01390	8.1
78.63244	2.7
78.95921	3.0
81.03488	2.7
83.05021	6.2
85.02956	2.1
87.37764	1.9
89.02454	4.4
96.96042	12.9
97.06560	2.5
101.02434	4.4
109.06602	5.6
113.02444	2.6
125.09724	5.5
137.09720	2.6
163.11308	9.7
165.12859	2.4
181.12361	3.0
185.11945	3.4
191.14346	3.4
197.11864	7.5
207.10313	20.4
209.11856	100.0
210.12187	4.9
225.11311	8.2
227.12939	11.3
235.08342	2.4
245.19084	8.0
253.09326	14.0
263.20093	2.5
289.18137	34.0
290.18494	3.4
291.19714	6.7
307.19168	29.9
308.19702	2.8
309.20786	11.5
419.23999	2.3
424.80704	2.1
753.40576	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	811.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.8
61.98826	7.0
69.03458	3.2
69.70559	10.2
71.01395	5.3
73.02924	1.9
78.95951	1.7
85.02941	2.0
89.02466	3.4
96.96035	4.9
97.03006	2.3
111.08164	5.7
119.03546	2.1
119.05024	2.4
125.02447	6.7
125.09747	1.8
143.22685	1.7
167.10771	3.9
169.12328	2.3
177.01945	2.7
179.14412	5.8
183.13847	1.9
188.05646	2.0
191.14467	1.8
195.13931	7.7
197.11861	31.8
199.49811	1.9
202.70921	2.0
205.12321	7.8
209.11897	4.3
211.13350	5.4
223.13426	100.0
224.13730	6.5
225.11322	2.5
225.89505	1.8
235.08212	7.1
253.09389	16.6
254.09660	2.1
263.20212	2.0
267.50226	2.1
277.21707	2.7
291.19711	12.9
309.20740	53.9
310.21030	5.5
389.83694	1.9
459.22418	12.6
545.29639	3.7
751.42169	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	813.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.3
61.98837	13.5
63.02408	4.0
65.00332	17.6
70.54716	1.8
75.00888	2.1
78.13564	0.9
78.95904	1.1
83.01408	7.5
84.52200	1.1
96.96030	1.4
107.01402	20.6
119.05047	25.7
120.05387	1.3
125.02473	8.6
132.05804	1.1
133.06595	1.1
137.02377	0.8
145.03000	2.2
151.00386	66.1
151.83426	0.9
152.00710	2.0
164.04773	1.4
165.01955	2.6
169.01433	2.5
177.02017	2.1
187.11284	2.7
200.12088	3.5
207.10306	0.9
209.11908	2.0
219.06633	1.8
229.16017	1.8
232.11121	6.4
255.17566	40.3
256.17953	3.6
277.21735	3.1
279.06610	2.6
279.17496	1.3
281.15704	2.0
291.19638	1.1
294.05399	1.9
297.18777	1.3
350.56805	1.0
365.17447	1.1
405.17117	15.0
406.17419	1.9
407.18658	100.0
408.19025	12.7
429.16821	1.5
513.19177	1.1
531.20752	1.7
784.44580	0.9
795.35071	4.8
796.35889	1.9
813.36462	14.0
814.37085	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	811.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.3
58.00576	1.2
58.93857	0.7
59.01387	39.1
60.99272	0.8
61.01819	0.7
61.98836	1.6
67.01854	0.9
68.99812	1.7
69.03460	2.1
70.18568	1.8
70.18948	1.5
71.01389	28.4
72.99318	8.5
73.02953	7.5
75.00883	17.7
81.03458	0.9
83.01399	3.3
85.02962	25.1
87.00879	7.7
88.98808	2.7
89.02453	10.8
95.01398	5.1
96.96030	6.8
99.00288	0.9
99.00897	11.6
101.02449	10.4
101.08612	0.7
103.00367	1.0
105.01955	0.9
109.02890	1.0
111.00890	1.4
113.01738	1.4
113.02464	19.5
115.00394	1.4
116.92866	2.4
116.97268	1.1
117.01938	1.9
119.03521	2.4
119.04964	0.7
121.02949	2.1
122.03773	0.9
124.01669	0.8
125.02422	2.6
129.01949	1.8
137.02484	0.9
149.02446	1.8
149.04582	0.8
150.03255	3.5
157.01520	0.7
164.04799	0.7
165.01976	1.0
165.05498	3.5
167.03429	1.1
171.10275	1.1
175.02454	1.9
180.04286	1.6
183.13884	1.2
183.94815	0.7
190.06374	0.8
191.07158	1.3
195.06599	3.2
208.07303	0.7
209.11784	1.3
227.13306	0.7
237.18542	0.8
249.06148	7.5
267.07306	1.5
282.05350	0.8
295.22772	11.0
296.22968	0.8
297.24283	2.3
299.05316	0.9
305.85657	0.7
313.23978	5.8
359.15158	3.4
373.13046	1.4
412.23105	0.8
444.23062	0.7
457.28085	2.9
475.28970	5.1
476.29684	1.5
517.30304	1.6
519.32391	0.8
691.38257	0.9
725.36255	0.8
749.36322	2.1
767.37085	100.0
768.37433	26.4
811.36517	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	809.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
70.40298	42.0
70.84970	100.0
73.09474	37.4
129.76175	46.5
137.04044	38.2
152.01761	37.6
153.76514	39.7
250.64728	42.2
277.21771	71.7
349.21927	44.7
423.06918	45.7
488.30692	45.1
675.48834	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	12.7
59.75297	2.4
61.98838	8.5
71.01379	11.8
71.55088	3.2
73.02966	3.1
83.05090	4.6
85.02961	9.2
87.00908	6.9
88.98824	4.5
89.02464	6.3
89.57110	2.7
96.03139	2.6
96.96024	46.0
98.95605	4.6
101.02467	9.4
102.09168	3.6
113.02467	3.8
116.92898	10.3
125.02478	6.9
150.34308	2.7
160.14410	2.9
161.04544	3.2
171.10300	16.9
197.11868	6.8
209.03270	2.8
209.11841	100.0
210.12213	10.1
211.13469	6.0
227.12895	21.8
229.14360	3.6
231.89706	2.7
235.08278	16.7
253.09282	30.9
300.02756	3.2
309.20856	11.0
327.21796	85.6
328.22165	6.9
445.20868	8.5
520.33466	3.4
545.29510	10.3
546.30688	3.4
563.30652	11.6
773.43512	3.0
809.40979	36.7
810.41467	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	807.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	20.1
69.75620	42.7
96.95975	8.6
98.20048	9.2
100.42488	8.7
125.02419	10.7
153.36610	8.4
171.10307	11.1
197.11594	8.3
209.11871	100.0
210.12193	12.3
225.11456	8.8
227.12907	25.0
235.08252	13.8
253.09300	26.9
270.70929	7.7
275.16849	8.8
275.19846	10.8
293.21265	88.6
308.36929	8.8
318.25238	10.1
406.70035	8.9
621.09180	8.7
665.46857	8.8
807.43207	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	16.1
61.98834	32.3
71.01364	13.4
71.02912	2.6
71.54182	4.4
85.02953	3.4
87.00856	4.9
88.98815	8.5
89.02467	11.2
90.09544	2.6
96.96012	18.1
97.02950	3.4
101.02442	8.4
104.03556	3.8
113.02426	3.8
119.05008	3.7
125.02451	6.3
171.10294	100.0
172.10582	5.8
179.05600	3.1
197.66202	2.8
203.48883	3.3
207.10207	4.3
215.03365	2.9
225.11353	22.3
235.08221	11.9
238.14844	2.8
251.67090	2.8
253.09380	7.8
255.17519	4.7
255.23297	36.1
256.23834	3.0
277.18951	2.6
277.21722	74.5
278.22049	9.2
285.07553	4.0
379.12411	6.2
397.13641	21.8
415.14560	5.3
421.20288	3.8
448.95615	3.2
485.13159	2.9
513.30383	3.7
721.41504	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	807.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	14.5
61.98825	12.7
62.98554	4.9
69.78780	29.0
71.01385	19.3
71.04635	4.6
75.81754	4.8
78.95935	4.9
83.05070	5.8
85.02953	5.9
96.96005	5.9
97.42880	4.7
100.39352	5.6
101.02428	10.3
109.06608	14.7
111.08168	7.7
119.72619	4.9
163.11317	18.7
171.10376	23.5
185.11801	8.9
197.11830	22.5
199.09763	5.4
207.10271	41.6
209.11845	100.0
210.12169	10.1
211.13490	5.5
223.09720	7.2
225.11336	29.8
227.12843	17.2
253.09395	29.6
289.17981	7.4
291.19647	25.0
293.21063	13.5
307.19202	11.1
309.20831	39.3
320.09076	6.5
341.96802	6.2
461.20560	6.1
532.97913	5.5
753.40588	19.9
754.40967	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	807.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.9
61.98822	6.0
71.01398	3.3
83.05019	3.9
84.74032	1.2
85.02947	2.0
85.86324	1.4
87.00888	1.7
88.98820	4.4
89.02464	2.6
96.96019	10.9
98.12559	1.3
98.19912	4.5
98.95596	1.4
101.02449	2.7
113.02471	3.3
116.92867	6.1
125.02460	2.2
143.77098	1.5
153.09254	3.3
161.04636	1.8
163.11293	2.0
165.12784	1.8
171.10292	8.2
179.05688	1.6
185.11780	1.9
191.10713	1.5
197.11819	6.2
201.11330	2.7
209.11853	100.0
210.12117	5.6
227.10783	2.0
227.12904	22.8
235.08252	8.6
253.09366	11.3
289.18256	8.6
307.19174	44.1
308.19495	3.8
309.20685	1.9
325.20190	19.2
445.20792	4.2
525.27625	3.9
543.28119	12.2
544.28607	3.2
561.28851	2.0
684.33057	2.4
735.39807	9.0
736.40491	2.6
753.41016	13.1
754.41473	3.2
771.41522	3.9
775.29987	1.5
807.39404	27.3
808.39618	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	805.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
58.00590	0.5
59.01385	6.2
59.14794	0.3
59.15965	0.3
60.88936	0.3
61.98809	1.2
69.03442	0.6
69.97003	0.5
69.97395	0.8
71.01027	0.4
71.01390	5.6
73.02971	1.5
81.03447	0.3
83.01372	0.7
83.05014	0.4
85.02959	1.8
87.00864	1.0
89.02457	3.9
95.01383	0.7
97.02953	0.3
97.06622	0.4
99.00858	0.7
101.02448	4.9
102.02776	0.3
109.06581	0.5
111.08177	7.2
113.02465	2.9
119.03501	1.0
125.02442	0.3
127.07665	0.6
133.05124	0.7
143.03517	0.7
145.05042	0.7
151.11328	0.3
153.12862	0.8
161.04575	1.9
169.12360	3.3
171.10243	0.8
179.05568	0.5
179.10818	0.5
181.12341	0.7
183.13846	0.4
185.11925	0.3
193.12329	0.3
197.11844	38.2
198.12209	2.2
199.13411	2.5
209.15471	0.7
211.11440	0.5
211.13373	4.7
211.53378	0.3
225.15027	0.9
227.12888	0.5
235.08235	6.3
247.20671	0.4
249.15036	0.3
251.16570	0.5
253.09317	16.9
254.09654	0.8
259.20724	0.4
263.20111	3.0
264.20602	0.5
265.18091	0.8
273.18640	1.5
277.21741	100.0
278.22083	10.0
291.16296	0.4
291.19675	18.4
292.20013	2.2
309.20740	40.6
310.21069	4.1
328.20499	0.3
398.88300	0.3
527.28662	0.6
545.29852	0.9
569.42383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.3
59.01384	2.4
59.62799	0.2
59.82864	0.2
61.98835	3.0
63.10485	0.2
64.92262	0.2
71.01393	2.6
72.99310	0.4
73.02951	0.5
82.95421	1.1
83.01401	0.4
85.02967	0.5
87.00881	0.3
89.02450	2.1
95.05060	0.3
96.95979	0.3
101.02458	2.3
111.08183	0.3
113.02464	1.1
113.09717	0.4
119.03562	0.4
119.05027	0.8
135.26712	0.2
143.03560	0.2
149.09633	0.2
161.04599	1.2
167.10751	0.3
171.10260	0.3
177.12738	0.3
179.05592	0.4
179.10765	0.2
179.14461	0.8
183.13982	0.2
190.53743	0.2
195.13919	8.4
196.14484	0.9
205.12305	0.9
205.16013	0.4
211.13484	0.3
223.13408	5.7
224.13820	0.6
228.13657	0.8
235.08226	0.6
249.11185	1.2
253.09314	16.6
254.09662	0.7
256.13232	1.2
265.21902	0.5
271.13443	0.4
275.20209	5.4
276.20471	0.6
277.21674	0.5
289.14395	0.3
293.21259	100.0
294.21567	10.6
391.19266	0.4
405.91656	0.2
413.17371	0.7
467.18643	0.3
492.22049	0.5
529.30371	0.9
569.42572	1.2
570.42126	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
58.61491	0.2
59.01380	2.7
61.98836	1.8
70.93295	0.2
71.01400	0.6
75.45370	0.2
83.05050	0.5
89.02424	0.3
93.04671	0.3
95.05032	0.8
101.02422	0.4
101.64465	0.2
109.06598	0.5
111.08177	8.5
113.09723	0.4
119.04988	0.3
121.06596	0.3
125.31700	0.3
135.11801	0.4
137.09724	0.4
139.11232	0.4
149.09689	0.4
155.10857	0.2
167.10791	1.7
167.58020	0.2
170.71037	0.3
171.10249	0.4
177.12862	2.1
179.10791	1.6
184.14093	0.2
195.13927	6.4
196.14230	0.6
199.82465	0.3
203.14401	0.4
205.15887	0.3
229.83394	0.3
245.99850	0.3
247.20796	2.2
253.09351	0.5
273.18600	1.1
277.21765	5.3
278.22067	0.4
291.19696	100.0
292.20026	10.9
292.29163	0.3
553.90778	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.1
59.01385	17.2
61.97889	1.9
61.98847	8.9
65.50087	1.4
69.03446	2.1
71.01390	19.0
71.54192	2.1
72.99298	1.7
73.02939	3.9
78.95886	2.5
79.95756	3.7
81.03481	2.2
82.95435	1.9
83.01385	2.2
83.05048	7.4
84.02201	1.8
85.02978	8.1
87.00871	2.8
89.02448	9.0
96.96025	84.4
97.02945	2.4
97.06618	4.4
98.95633	7.9
101.02478	11.6
109.06579	2.4
111.42966	1.6
113.02471	5.7
116.92873	3.5
119.03542	1.8
125.02442	2.8
125.09714	3.5
127.11295	2.3
155.10857	1.7
161.04639	3.1
163.11319	4.0
165.12866	2.8
169.12372	5.6
171.10283	22.5
179.05652	2.5
181.12389	2.4
183.13860	2.0
197.11850	14.0
199.13405	3.1
201.11337	15.0
207.10201	4.8
207.97179	1.6
209.11853	100.0
210.12146	5.7
211.13429	9.1
212.13768	1.8
225.11320	7.0
225.14992	2.5
227.12897	19.3
228.13530	1.5
229.14413	4.7
235.08192	9.2
239.12932	2.1
243.16132	1.6
253.09299	24.8
256.24979	1.6
291.19687	3.1
291.59070	1.4
309.20728	4.7
327.21790	46.1
328.21964	2.8
336.80896	1.7
341.23328	20.8
342.23773	3.6
397.13525	5.0
415.14703	2.0
430.92764	2.3
445.20828	4.1
563.30896	3.1
761.36328	8.1
805.38318	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	804.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
61.79454	0.1
61.98839	100.0
62.98541	0.2
63.99269	0.1
71.01395	0.1
71.54316	0.2
78.95950	0.1
80.96509	0.3
88.98812	0.1
120.01254	0.1
132.60397	0.1
196.40100	0.1
209.11914	0.2
277.21756	0.2
599.35590	0.1
650.81390	0.1
804.39124	0.2
805.39972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	6.6
61.98842	7.1
65.54568	1.4
68.99574	2.1
70.54610	4.2
71.01389	9.1
73.02950	3.0
78.95912	2.6
79.95762	4.2
83.05051	3.0
85.02967	2.4
86.55018	1.1
87.00919	1.5
89.02457	3.5
96.96024	100.0
96.97011	3.2
97.02962	2.2
97.06591	2.9
98.95612	2.8
99.00891	2.1
101.02466	5.1
105.99812	1.2
109.06573	6.8
110.84821	1.4
112.98569	1.3
113.02510	2.2
116.92870	6.6
116.97303	1.4
125.09695	1.9
135.08162	2.4
158.89755	1.4
163.11299	5.4
171.10286	9.2
179.05643	1.5
181.12349	2.0
185.11856	1.8
189.09288	1.6
197.11879	3.4
201.11340	7.1
201.75604	1.2
207.10281	24.5
208.10663	1.3
209.11845	64.3
210.12218	2.9
211.13383	3.8
212.13660	1.4
225.11330	16.2
225.14874	2.2
227.12932	13.3
235.08235	3.9
243.12262	1.6
249.11319	1.8
253.09305	11.0
287.16498	2.6
305.17667	7.9
335.63074	1.2
341.23407	12.3
399.21686	1.7
417.23004	3.1
445.20721	2.7
461.20663	6.2
635.30743	14.4
636.31256	2.2
653.31952	16.3
654.32233	4.1
671.32996	20.4
672.33502	10.4
673.34631	1.7
733.38702	2.3
751.39392	3.1
805.37823	11.4
806.38531	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.9
59.01389	18.0
61.58683	1.2
61.98832	7.8
68.99569	4.8
69.03423	1.4
69.43811	3.3
69.44221	5.2
71.01396	16.0
72.99309	1.5
73.02949	2.9
78.95885	1.3
79.95740	1.6
81.03440	1.7
83.05022	4.5
85.02957	4.8
87.00880	4.1
89.02454	12.8
96.96021	40.4
97.02947	2.7
97.06593	1.3
101.02447	9.6
112.98581	4.1
113.02458	5.9
119.03528	4.3
125.02470	4.1
125.09721	3.7
129.02025	1.6
153.09277	6.9
161.04591	3.3
163.11284	5.9
165.12869	1.6
169.12277	3.8
171.10283	18.8
179.05692	3.2
181.12297	2.5
183.13931	6.7
185.11809	2.4
193.12289	3.3
197.11847	2.7
207.10178	2.3
209.11850	76.2
210.12154	4.9
211.13416	100.0
212.13704	7.1
215.05524	1.4
225.11359	5.5
227.12958	9.3
235.08241	5.7
245.19098	1.6
253.09276	9.9
289.18149	6.3
307.19168	25.5
308.19485	2.0
325.20193	11.8
326.20517	1.6
341.23312	6.0
379.12646	3.1
397.13489	21.7
398.13956	1.9
415.14548	4.4
505.81116	1.4
525.27167	2.3
543.27972	5.9
561.28857	2.0
591.26001	1.8
609.27625	4.1
735.39679	2.7
753.40747	3.3
785.40936	1.8
803.43988	4.8
804.44983	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.3
61.98838	13.6
71.01385	4.7
71.54157	2.0
74.88880	1.7
78.95895	3.0
82.00934	1.8
85.02966	2.0
88.63009	1.8
89.02455	3.4
94.94751	1.6
97.36662	1.8
101.02420	4.7
111.08150	6.2
113.02456	2.4
134.97375	1.8
179.10814	2.4
195.13846	11.0
223.13373	5.3
235.08278	2.2
253.09346	17.6
256.13284	2.2
275.20184	5.0
277.21735	6.5
278.22021	3.0
291.19699	100.0
292.19965	9.0
293.21268	88.0
294.21713	8.1
307.18964	1.8
317.66956	2.2
388.77914	1.8
515.38800	1.9
527.28741	8.5
803.40784	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	803.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86131	0.1
59.01396	0.2
60.40018	0.1
61.98836	1.2
63.99270	0.2
69.05617	0.1
69.59700	0.3
69.60124	0.4
71.01396	0.2
78.95920	2.6
79.95745	3.6
85.02947	0.2
96.96024	100.0
96.96900	3.2
97.95963	0.4
99.68707	0.1
121.02987	0.2
150.06920	0.1
175.78799	0.1
209.11827	0.5
265.07553	0.1
274.97849	0.1
336.13239	0.1
430.89624	0.1
562.02240	0.1
803.37317	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
58.00587	0.9
59.01384	12.4
61.98846	1.9
67.25455	0.4
68.99580	1.3
69.03453	1.0
69.12437	0.4
71.01388	9.9
72.09123	0.3
72.99319	0.9
73.02948	2.6
75.68492	0.4
78.95935	0.5
81.03461	0.7
83.01399	1.0
83.05028	1.3
85.02972	3.0
87.00890	2.1
88.11941	0.5
89.02458	8.3
95.01411	1.1
96.96025	13.2
97.02962	2.8
97.06625	0.6
98.20668	1.0
99.00877	0.7
101.02460	7.8
112.98595	1.3
113.02458	5.1
119.03487	1.9
125.02463	4.2
125.09741	0.5
137.02435	0.6
143.03519	1.3
153.09238	0.7
155.10693	0.4
161.04599	2.0
163.11383	0.9
167.14473	0.7
171.10320	3.9
179.05643	2.8
183.13919	8.0
193.12399	3.0
197.11946	0.6
201.67857	0.4
207.10226	0.7
209.11848	13.5
211.13412	100.0
212.13768	6.1
221.06735	0.4
225.11328	1.7
227.12914	2.3
235.08241	3.3
243.05092	0.4
253.09355	2.3
255.01526	0.5
287.07742	1.3
289.18079	0.8
296.79251	0.4
305.08871	0.8
307.19229	3.4
323.09662	0.7
325.20248	1.6
341.23325	1.7
379.12448	3.4
397.13550	21.3
398.13681	2.1
405.26550	0.7
407.18933	0.5
415.14517	3.9
445.35495	0.5
461.20129	0.8
543.28448	0.5
568.24146	0.5
591.26581	3.8
609.27704	4.9
610.28278	0.8
785.39838	1.3
786.38409	0.7
803.43390	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	13.4
59.01388	9.1
61.98852	1.5
69.34090	4.5
69.34503	1.3
71.01391	6.7
72.99324	1.3
73.02927	0.8
74.75886	0.6
75.00882	10.6
77.86224	0.7
78.95886	1.5
79.95704	0.9
80.96516	0.7
83.01402	2.0
84.02190	1.9
85.02961	91.6
86.03290	1.0
87.00883	1.7
89.02460	1.5
96.96026	6.7
96.96996	1.6
99.00893	1.1
101.02457	1.4
111.00888	1.7
117.03473	14.7
117.04291	0.9
123.04545	0.7
125.02478	1.9
129.01955	10.2
131.01399	2.6
134.03775	1.8
135.04588	4.3
147.03018	6.7
150.03244	1.5
161.02437	1.3
163.04053	1.1
173.00932	2.6
173.02448	5.6
175.00391	10.7
179.03481	2.9
191.01997	63.1
192.02296	1.0
193.05075	0.7
209.03044	1.0
209.11700	0.8
231.89374	0.7
249.05864	1.3
265.05185	1.3
269.04596	0.9
287.22299	2.0
293.04590	100.0
294.04877	9.8
309.06052	0.8
311.05829	1.0
353.05106	6.1
359.14902	1.3
413.08813	69.3
414.09210	7.5
431.26675	0.9
431.42444	0.7
449.27692	5.4
450.28131	0.8
579.30493	2.4
615.29016	0.8
623.29340	9.1
624.30035	1.2
641.30371	34.7
642.30438	5.6
803.33936	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75033	0.4
57.03456	13.1
58.03807	0.5
59.01387	6.9
61.98833	1.4
68.99834	0.7
69.30367	1.1
69.30791	2.7
71.01384	6.3
72.99314	1.4
73.02944	0.7
75.00885	13.1
83.01400	2.3
84.02185	2.4
85.02962	100.0
86.03304	2.8
87.00886	1.8
89.02433	0.7
96.96025	4.6
98.20613	0.9
101.02479	1.3
101.16360	0.5
103.00375	1.1
108.02213	0.4
111.00913	1.8
113.02477	0.8
119.05072	0.9
125.02506	0.9
129.01962	9.7
129.02867	0.8
134.03757	0.7
135.04553	4.6
137.02519	0.6
147.03017	6.4
152.01143	0.7
163.04039	0.7
165.09166	0.5
167.03505	0.6
173.00967	3.1
177.01962	0.7
179.03540	1.5
185.02350	0.5
191.01997	73.7
192.02353	2.4
209.03067	1.5
221.42873	0.4
287.22366	1.7
293.04544	0.5
305.06888	0.5
309.06250	1.4
353.05206	10.7
354.05264	0.8
359.14819	0.7
431.26639	1.6
449.27640	6.1
579.30457	4.8
580.30609	1.3
605.27991	0.7
623.29224	8.4
624.30005	1.0
641.30347	36.3
642.30585	5.2
760.34576	0.5
803.22516	0.8
803.34857	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.3
59.01394	2.5
61.98822	1.2
69.93584	1.2
70.98521	0.3
71.01388	1.7
72.99284	0.4
73.02973	0.2
75.00890	1.2
78.95911	1.1
79.95755	0.3
83.01384	0.7
84.02170	0.8
84.02700	0.3
85.02959	21.2
86.03273	0.4
89.02457	0.4
89.36435	0.2
96.18546	0.2
96.96023	2.3
96.96973	0.8
101.02452	0.6
103.00423	0.3
103.01874	0.5
111.00886	0.3
113.02443	0.5
117.03473	12.6
118.03805	0.3
121.02971	0.4
122.03812	0.3
125.02448	0.6
129.01971	2.1
131.01382	2.7
134.03731	0.9
135.04527	1.1
137.02490	0.5
145.02959	0.4
147.02982	1.7
149.02496	0.7
150.03265	1.3
161.02455	1.0
163.04068	1.4
165.05603	0.8
173.00996	0.4
173.02429	7.0
175.00386	11.6
175.03970	0.5
176.00783	0.6
177.01953	0.5
178.02664	0.4
179.03540	0.7
180.04298	0.3
185.02454	0.4
190.06351	0.3
191.02005	11.0
193.05057	0.7
193.06622	0.3
195.06615	0.4
205.08791	0.5
221.06004	0.6
249.05591	1.1
265.04935	0.6
269.04544	1.1
281.04468	0.3
283.06232	0.5
287.22382	0.5
293.04584	100.0
294.04938	9.6
294.80380	0.3
311.05536	0.6
323.05707	0.4
335.05646	0.7
353.05325	0.4
359.14883	1.4
413.08798	67.0
414.09097	8.0
431.26611	0.4
449.27649	1.9
579.30212	0.6
599.25128	0.3
609.51068	0.4
623.29779	2.5
641.30383	8.3
642.30969	1.4
803.33551	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
59.01370	1.3
65.00352	0.5
75.00890	0.3
77.03992	0.7
79.01907	0.6
83.01395	0.6
85.02957	2.0
93.03442	0.3
95.06242	0.3
97.02945	0.6
97.07505	0.3
105.03471	0.4
107.01428	0.7
109.02962	2.1
110.66555	0.3
119.05016	1.0
121.02947	1.4
123.00929	0.4
125.02443	1.4
132.02168	0.4
133.02968	11.5
134.03305	0.4
135.00876	0.4
135.04533	1.1
137.02432	0.7
137.73795	0.3
143.84689	0.4
147.04515	1.2
149.02444	0.9
151.00377	0.6
151.03970	0.8
161.02492	1.7
163.00368	1.8
163.04076	2.3
165.01979	2.1
173.02492	0.4
175.04031	3.1
177.01947	1.1
179.03471	0.5
191.01920	1.2
191.03514	1.4
193.01451	1.2
198.03226	0.3
199.04022	1.4
201.01918	1.2
202.02809	0.4
203.03514	0.5
209.03003	1.0
211.04054	0.8
212.04945	0.5
213.05571	1.2
215.03514	0.5
217.04988	0.6
225.05470	0.9
227.03569	0.7
229.05205	0.4
237.05524	0.4
240.04187	0.9
241.04985	0.7
243.03006	0.4
253.05099	1.1
254.05794	0.4
255.02954	0.9
255.06734	0.7
256.03647	0.4
257.04462	0.8
269.04614	1.0
281.04376	0.4
283.02631	0.6
283.06134	0.5
284.03290	9.0
285.04053	8.9
286.04266	0.4
297.00616	0.6
297.04071	15.1
298.04816	9.0
299.05618	18.8
300.05966	1.5
309.04114	1.0
311.05655	2.7
324.02985	0.5
325.03342	0.9
327.05121	100.0
328.01630	0.5
328.05478	9.4
339.05161	3.7
341.06653	1.2
357.06189	25.4
358.06348	2.6
369.06070	2.8
393.06256	0.9
411.07376	0.5
447.09354	91.4
448.09732	11.6
448.16043	0.6
491.54575	0.4
709.89734	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.19
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	16.9
59.01386	6.5
68.70971	2.2
69.25088	6.6
69.25492	13.5
71.01392	7.8
79.23096	2.2
81.08164	2.9
83.01392	2.6
84.02181	3.2
84.67418	2.5
85.02958	95.7
85.39542	2.4
87.00893	3.5
96.96015	3.9
101.02474	3.0
108.02193	22.9
109.02998	5.7
113.02482	3.3
119.05056	3.9
125.93039	2.3
129.01968	3.5
134.60265	2.1
136.69716	2.1
138.22246	2.0
147.03021	6.9
152.01180	51.2
163.04086	5.5
191.02010	46.3
209.03082	36.3
241.14996	2.5
251.13020	2.1
315.71817	2.4
355.06757	15.7
447.11465	100.0
448.11691	9.1
772.21844	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	803.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	14.1
58.25708	1.9
59.01381	7.4
71.01389	8.6
72.40056	1.7
72.99319	2.9
83.01376	3.1
83.16181	2.2
84.02176	2.6
85.02960	100.0
86.03287	3.1
89.02426	4.0
96.96013	10.2
102.96446	2.2
103.00446	2.4
107.58482	1.8
108.02211	12.7
109.02956	3.1
125.02408	3.3
129.01935	6.0
133.01437	4.5
134.03784	4.1
147.03014	12.8
152.01167	23.5
191.01997	53.9
192.02292	2.8
209.03046	62.7
214.13742	1.9
223.04547	3.9
385.07764	18.6
406.21707	2.0
417.10425	37.2
418.10999	4.1
435.00082	2.1
442.50549	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	802.4604
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
71.54033	0.3
78.95914	0.4
96.09776	0.3
116.38208	0.3
135.08353	0.3
141.26463	0.3
141.91010	0.3
190.36081	0.3
211.13443	1.1
212.13794	0.7
213.14000	0.4
253.03195	0.3
277.21793	2.7
278.22202	0.5
279.23184	0.6
289.18286	0.7
364.40244	0.3
503.90735	0.4
510.99298	0.4
648.40973	0.3
785.74683	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27612	0.2
61.71674	0.2
61.98838	100.0
71.54559	0.3
72.79859	0.2
79.95741	0.3
80.96538	0.7
96.96040	0.5
109.25156	0.2
122.42145	0.2
147.18718	0.2
201.71307	0.2
207.10352	0.2
209.11940	0.4
268.88364	0.2
277.21719	0.4
366.09436	0.2
419.72809	0.2
496.20828	0.2
803.38501	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.3
57.04828	0.1
59.01385	0.2
61.98838	100.0
69.82197	0.8
71.01414	0.5
73.48615	0.2
78.95936	0.2
80.96535	0.2
81.03481	0.2
96.96102	0.2
101.02444	0.2
121.14362	0.2
123.04508	0.3
125.02477	1.5
126.02788	0.3
137.02457	0.3
138.31633	0.2
138.69189	0.2
149.82040	0.2
151.03987	0.2
167.03537	0.5
171.10336	0.2
177.01936	0.3
209.11876	0.4
211.13397	0.2
225.11417	0.2
253.09268	0.2
289.07352	0.5
330.70160	0.2
548.35687	0.2
760.90063	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
69.94963	4.3
71.01365	1.4
78.95913	1.8
80.49157	1.1
82.20667	1.1
82.75715	1.2
115.13976	1.3
119.05053	4.3
149.75941	1.4
157.53252	1.1
158.95183	1.3
159.04475	1.3
197.11890	2.6
201.11328	8.6
209.11833	18.9
227.12775	2.3
235.08348	2.0
253.09396	2.7
277.21780	20.8
278.22064	3.0
283.44958	1.3
293.21365	1.9
349.17996	1.5
393.19986	1.5
408.19073	2.2
409.18692	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	801.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	4.3
58.00591	2.9
59.01387	65.2
61.46418	1.9
61.98842	24.0
65.03979	2.2
69.03463	3.9
71.01012	3.9
71.01392	56.6
72.99324	5.9
73.02960	9.6
75.00895	2.9
78.91901	2.5
78.95908	4.4
79.95770	2.6
83.01394	4.5
83.05043	8.7
85.02980	18.5
87.00882	12.6
89.02455	38.8
91.10387	2.1
94.92516	3.2
95.01404	4.6
95.05038	3.9
96.96028	51.7
96.96953	3.2
97.02967	8.0
97.06612	5.3
98.20669	6.2
99.00898	4.8
101.02455	32.3
105.54855	1.9
107.05061	2.3
108.58317	1.9
109.06618	3.9
111.00912	2.4
111.04527	2.3
111.08173	4.1
112.98540	2.2
113.02468	19.8
119.03485	8.2
123.08159	3.9
125.02484	14.6
125.09754	18.8
126.90417	5.4
129.02034	2.1
137.09778	3.3
143.03499	3.5
145.00864	2.0
147.08167	2.9
161.04556	5.9
163.11378	3.9
171.10306	33.6
172.10513	2.1
177.02054	1.8
179.05617	10.9
187.09811	2.5
191.01947	2.0
195.13748	2.1
205.15985	4.1
209.11890	20.7
210.12103	2.2
211.13454	24.6
215.14398	11.8
221.06691	8.7
221.15372	2.1
231.13835	3.0
233.15523	52.1
234.15919	4.5
235.08229	5.1
249.14969	23.1
251.16516	3.4
263.07724	2.4
331.26389	4.7
341.24869	5.8
359.25842	2.3
367.22729	3.2
375.25394	5.1
379.12479	4.0
385.23801	24.0
386.24323	3.8
393.26602	2.8
397.13568	24.6
403.24966	39.8
404.25272	6.9
415.14612	4.2
421.26025	18.7
506.75955	2.4
510.31116	2.1
560.43756	2.3
629.29126	2.6
773.39093	3.0
783.38159	100.0
784.38782	24.4
801.39160	75.5
802.39227	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	801.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	4.3
58.00591	2.9
59.01387	65.2
61.46418	1.9
61.98842	24.0
65.03979	2.2
69.03463	3.9
71.01012	3.9
71.01392	56.6
72.99324	5.9
73.02960	9.6
75.00895	2.9
78.91901	2.5
78.95908	4.4
79.95770	2.6
83.01394	4.5
83.05043	8.7
85.02980	18.5
87.00882	12.6
89.02455	38.8
91.10387	2.1
94.92516	3.2
95.01404	4.6
95.05038	3.9
96.96028	51.7
96.96953	3.2
97.02967	8.0
97.06612	5.3
98.20669	6.2
99.00898	4.8
101.02455	32.3
105.54855	1.9
107.05061	2.3
108.58317	1.9
109.06618	3.9
111.00912	2.4
111.04527	2.3
111.08173	4.1
112.98540	2.2
113.02468	19.8
119.03485	8.2
123.08159	3.9
125.02484	14.6
125.09754	18.8
126.90417	5.4
129.02034	2.1
137.09778	3.3
143.03499	3.5
145.00864	2.0
147.08167	2.9
161.04556	5.9
163.11378	3.9
171.10306	33.6
172.10513	2.1
177.02054	1.8
179.05617	10.9
187.09811	2.5
191.01947	2.0
195.13748	2.1
205.15985	4.1
209.11890	20.7
210.12103	2.2
211.13454	24.6
215.14398	11.8
221.06691	8.7
221.15372	2.1
231.13835	3.0
233.15523	52.1
234.15919	4.5
235.08229	5.1
249.14969	23.1
251.16516	3.4
263.07724	2.4
331.26389	4.7
341.24869	5.8
359.25842	2.3
367.22729	3.2
375.25394	5.1
379.12479	4.0
385.23801	24.0
386.24323	3.8
393.26602	2.8
397.13568	24.6
403.24966	39.8
404.25272	6.9
415.14612	4.2
421.26025	18.7
506.75955	2.4
510.31116	2.1
560.43756	2.3
629.29126	2.6
773.39093	3.0
783.38159	100.0
784.38782	24.4
801.39160	75.5
802.39227	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	801.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.9
58.00584	1.2
59.01385	20.5
68.99820	1.9
69.03453	1.7
69.51123	4.6
71.01387	26.8
71.01779	1.5
72.99311	8.4
73.02945	5.4
75.00876	21.5
80.47471	0.8
82.12062	1.0
83.01400	2.9
85.02963	28.3
87.00885	8.9
95.01423	5.2
96.96024	7.6
99.00887	14.7
101.02436	4.1
103.00368	2.3
111.00873	2.5
111.68015	0.8
113.02468	22.4
113.09747	1.2
115.00379	4.3
116.92883	1.6
117.01934	2.5
119.03527	0.8
119.05009	1.6
124.01656	1.1
125.02427	3.2
129.01950	2.4
131.25928	0.9
135.04520	1.4
137.02426	0.9
147.02985	1.1
161.04678	1.7
163.03961	1.9
165.01924	1.0
165.05531	0.9
167.03555	1.6
175.02480	2.5
177.01929	3.5
177.05621	0.9
189.04182	1.7
191.02000	2.3
221.19115	21.9
222.19485	1.9
231.04977	1.3
239.20145	1.9
249.06146	8.2
265.18103	11.2
267.07190	2.9
283.19174	17.9
284.19626	2.0
301.20248	35.3
302.20447	3.0
305.06857	1.1
345.14487	2.7
375.23981	1.4
551.26727	2.0
625.30725	5.5
626.31104	1.4
631.14838	0.9
639.36340	4.6
677.86047	0.9
783.32874	2.9
801.34045	100.0
802.34528	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	800.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33412	0.1
59.01392	0.4
61.98839	100.0
62.98545	0.1
71.01398	0.3
71.54630	0.2
78.95971	0.2
85.02966	0.2
85.31892	0.1
87.00880	0.1
88.98801	0.1
92.92829	0.4
94.92545	0.2
96.96029	1.2
116.55263	0.2
125.02528	0.2
209.11935	0.3
211.13449	0.1
515.40265	0.2
675.48944	0.2
733.19897	0.2
800.39319	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	15.3
61.98840	2.3
69.03455	0.8
70.35005	0.4
71.01387	3.1
76.95521	0.4
78.98620	0.6
79.95742	1.4
80.96519	6.8
83.01408	0.5
85.02964	0.9
87.00889	0.8
89.02465	1.8
94.98111	1.6
96.96012	2.0
98.20674	1.2
99.81467	0.4
101.02464	2.1
106.98058	0.5
109.06794	0.5
113.02484	1.1
119.03530	0.4
119.05047	2.2
134.68753	0.4
134.97653	0.8
144.88255	0.5
148.99080	0.6
151.00366	0.8
161.04550	1.2
164.98694	1.0
167.14383	1.0
179.05585	0.6
183.13918	5.1
193.12338	1.6
194.11258	0.6
211.13417	100.0
212.13823	6.5
225.00864	2.4
235.08221	1.4
253.09308	4.6
277.21741	49.4
278.22067	4.7
279.23904	0.5
283.23212	0.5
407.18527	1.5
429.21289	1.5
447.22360	7.9
448.22842	1.4
513.31097	0.9
709.38403	3.7
710.39001	0.6
781.40564	1.7
799.42059	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	799.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	5.0
57.86512	0.5
61.98837	15.7
63.02413	4.5
65.00015	1.0
65.00336	17.0
65.03973	0.5
69.46542	4.4
71.01373	1.0
83.01392	8.1
91.01907	21.8
93.03442	0.6
107.01401	18.6
107.05043	0.8
109.02996	1.0
111.08467	0.6
119.05041	5.7
123.04510	1.6
125.02466	20.5
132.05806	5.1
133.06653	3.5
135.00897	28.1
136.01257	1.1
143.89449	0.5
145.06596	1.7
149.02432	0.9
151.00383	69.8
151.03966	2.2
152.00728	1.8
153.01950	13.6
154.02245	0.7
164.04788	5.3
165.01945	1.0
165.05118	0.6
167.03513	2.4
169.01428	1.7
171.10310	1.9
175.03995	0.8
177.01997	2.9
187.11310	1.0
197.11771	0.6
200.12061	4.3
207.10184	0.9
211.84380	0.6
225.11256	1.1
229.15918	1.5
232.11040	9.3
255.17564	68.6
256.17911	7.1
267.10187	0.8
277.21744	4.9
281.15430	1.7
289.14423	0.8
323.16364	1.3
391.19183	54.8
392.19553	7.0
404.77686	0.6
407.18665	100.0
408.18958	14.7
431.60236	0.7
495.32828	1.3
737.41565	0.8
753.35596	0.6
799.38873	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	5.0
61.98833	1.3
63.02404	3.6
65.00332	22.7
75.00873	0.5
78.95917	1.8
80.96509	0.6
83.01390	11.5
93.03456	1.5
96.96951	0.5
98.19862	0.8
105.03436	0.6
106.04272	0.4
107.01404	24.9
107.05092	0.4
108.99284	0.7
109.02973	0.5
112.76253	0.4
117.03432	0.6
119.05042	56.8
120.05398	2.7
121.02977	1.0
123.04541	1.3
125.02460	23.2
126.02792	0.6
130.04260	2.0
133.06602	0.8
135.00879	0.9
143.05043	1.6
145.02965	1.4
145.06630	2.7
149.02498	0.9
151.00381	93.4
152.00735	3.2
152.99559	0.5
157.06566	1.4
159.04568	0.4
159.08147	1.8
161.02478	0.9
161.06100	0.6
162.03244	0.5
163.04018	1.2
165.01955	1.6
167.03497	2.9
169.01408	1.3
173.06012	0.6
175.03996	1.3
177.01958	2.8
185.06035	1.2
187.03990	2.3
187.11287	0.6
190.06348	0.6
193.77319	0.4
195.92177	0.4
199.07729	0.6
200.12067	5.3
201.05643	0.8
201.11316	1.7
202.06436	0.5
206.09448	0.4
209.11816	1.0
227.07159	0.8
227.14426	1.8
229.15952	1.3
229.45258	0.4
232.11046	11.0
233.11531	0.6
241.01204	0.9
245.08116	0.5
253.05103	0.4
255.17564	52.8
256.17868	5.1
267.10236	0.9
269.04483	0.5
271.06140	24.9
271.13425	13.8
272.06415	1.9
272.13651	1.0
277.21945	0.6
281.04492	0.6
281.15472	0.8
287.16534	2.5
289.14468	8.9
289.17697	0.5
290.14975	0.8
323.16626	1.3
359.20145	1.2
391.19183	38.5
392.19565	5.8
392.24252	0.8
405.17029	0.5
407.18658	100.0
408.18991	13.4
511.21182	3.2
512.21545	0.5
527.31732	11.3
528.31970	2.4
541.22076	0.6
595.54724	0.4
629.36633	0.5
725.80200	0.5
799.41742	3.6
800.40442	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.3
61.98834	3.9
63.02397	1.4
65.00344	7.1
68.99801	1.1
75.00880	12.9
78.95908	5.7
91.01918	1.2
93.03464	2.1
96.96971	1.6
106.04246	1.1
107.05094	1.3
109.06638	2.5
109.47150	1.0
119.05044	86.1
120.05389	3.6
122.03813	1.4
124.01676	3.2
125.02451	1.9
125.09777	1.3
130.04265	3.4
132.05823	9.5
133.06633	15.2
141.24667	1.1
143.05025	2.5
145.02966	2.2
145.06604	2.5
149.06154	1.4
151.00352	1.4
151.07703	4.5
153.47314	1.0
157.06657	1.2
159.08197	2.2
161.02431	1.1
163.04044	1.6
164.04839	10.0
175.07716	6.0
176.01178	2.9
187.04001	1.6
187.11313	36.0
188.11607	1.5
193.08705	13.4
201.11371	4.1
209.11852	4.0
213.09296	1.4
213.12971	1.1
219.06647	34.2
220.07039	2.0
227.14507	2.0
233.08151	3.0
241.01273	1.4
245.08160	1.3
245.15399	1.5
255.17542	1.5
255.23376	2.3
271.13440	12.9
277.21820	2.9
287.12967	5.5
287.16275	1.8
289.14474	10.9
290.14484	1.6
291.13797	2.4
305.13937	1.9
339.12430	14.1
340.12589	1.7
391.19196	42.1
392.19601	6.4
405.06329	1.1
407.18683	100.0
408.18985	14.0
459.25510	5.9
511.21112	3.1
755.28363	1.1
799.41132	11.5
800.40741	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	799.386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.7
61.98837	13.2
63.02410	3.4
65.00008	1.6
65.00333	17.4
69.43553	7.2
71.01388	1.4
75.00882	11.5
78.95911	14.2
80.96534	7.6
83.01392	9.4
88.98821	2.0
91.01906	3.1
93.03466	2.2
94.98089	1.3
96.96946	3.8
98.19837	1.0
107.00722	2.1
107.01401	22.3
109.02925	1.4
116.92852	1.5
119.05036	48.7
120.05370	1.6
125.02461	31.1
130.04259	1.8
132.05818	5.9
133.06601	9.6
135.00905	4.1
145.02957	1.8
145.06609	2.4
149.02377	1.9
151.00383	71.4
152.00728	3.6
153.01976	3.6
157.06644	1.3
164.04820	6.6
164.98596	1.7
167.03499	2.7
171.10303	1.1
171.23409	1.0
177.01945	2.5
187.11383	1.4
193.08698	1.1
201.11290	10.0
201.12851	1.4
209.11818	5.5
225.00792	3.4
227.14473	1.4
241.01241	6.1
255.17572	27.6
255.23233	5.0
256.17911	4.3
271.06143	17.0
271.13364	8.7
272.06454	1.5
277.21790	2.6
279.23062	1.4
287.16431	3.1
289.14548	9.0
315.05246	2.2
359.84241	1.3
369.78946	1.2
391.19156	29.0
391.24109	1.9
392.19263	5.1
407.18655	100.0
408.19049	14.4
511.21582	2.6
527.31641	6.6
587.31018	1.5
709.38989	1.7
781.41156	2.7
789.89642	1.3
799.42188	22.7
800.42151	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	799.3764
Annotation	Win 66306
Peak:m/z	Relative Intensity
57.03456	2.7
58.00615	2.9
59.01386	30.5
61.98848	19.8
63.61118	2.4
65.03975	3.6
69.03458	2.5
69.37970	14.7
69.38383	5.3
71.01392	29.5
72.99315	4.2
73.02959	4.5
83.01392	2.9
85.02953	8.1
87.00876	6.5
87.43264	2.3
88.98799	3.5
89.02447	16.4
91.05541	2.5
95.01401	2.8
96.96014	15.9
97.02996	4.6
97.06590	3.0
101.02457	19.7
105.47137	2.2
110.38322	2.2
113.02467	8.6
115.05530	2.9
119.03522	4.7
125.02441	5.1
125.09782	12.0
161.04559	2.7
180.38457	2.0
187.09955	2.6
187.14912	7.2
201.12975	2.3
209.11812	12.4
213.12938	4.6
221.06717	6.1
228.73584	2.3
231.13902	20.7
235.08182	2.4
249.14896	3.5
263.16541	2.2
339.23376	3.2
373.23856	3.9
383.22400	15.0
391.24774	3.0
397.13571	8.2
401.23331	21.5
419.24374	6.6
770.44470	2.4
781.36572	100.0
782.36945	23.7
784.65045	2.5
799.37573	24.6
800.37714	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	797.437
Annotation	Unknow
Peak:m/z	Relative Intensity
63.92362	1.9
71.01391	10.0
71.43539	1.7
78.98586	8.1
79.95747	17.6
80.96526	80.3
83.01370	1.8
85.02961	2.9
87.00864	3.4
94.98090	16.2
97.02940	1.9
99.00880	1.6
101.02480	1.6
101.56088	1.4
106.98073	3.0
122.97585	3.3
125.02444	4.1
134.97644	7.1
136.99159	1.8
148.99149	6.0
152.98656	7.3
164.98654	13.7
206.99640	2.6
209.11746	2.2
224.98688	2.0
225.00749	20.1
415.25629	1.4
541.19769	2.9
558.22986	1.5
612.16412	1.4
622.57397	1.9
797.43646	100.0
798.44196	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.21
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.7
58.14903	0.5
59.01391	0.9
71.01154	1.0
71.01510	0.5
72.99319	18.7
73.02955	1.7
74.26540	0.4
75.00881	0.8
77.57860	0.4
81.07114	2.0
83.05084	0.4
85.06600	0.9
97.06602	1.1
99.08167	7.5
101.06096	1.3
109.02939	2.6
113.06083	3.9
115.07664	57.3
116.08008	1.4
121.02920	0.4
123.04570	1.2
125.02458	13.5
125.06115	1.2
126.02893	0.4
129.05595	32.5
130.05928	1.5
137.02464	3.3
139.04001	1.1
143.07159	20.5
144.07448	0.6
149.02499	0.7
151.04034	1.2
159.06654	3.1
161.02455	1.9
161.08238	1.1
164.01184	0.5
165.01901	0.7
167.03546	0.8
175.03996	1.4
177.01944	7.0
179.03513	1.2
187.04007	1.0
203.07193	0.5
205.07184	100.0
206.07568	4.5
217.92760	0.4
219.06633	0.7
221.04587	0.5
229.05115	0.6
243.03032	0.9
245.08275	1.0
255.03064	1.3
269.04752	0.5
273.04016	0.9
281.04526	0.5
283.02521	0.7
287.05661	1.0
289.07144	5.0
297.04068	0.6
299.05475	0.4
303.05273	0.7
305.06726	6.5
320.62973	0.4
339.08798	0.5
403.77802	0.5
407.07794	5.5
423.01904	0.7
423.07211	6.3
425.08817	10.3
426.09201	1.2
441.08362	2.2
467.09802	3.5
468.10471	0.5
575.11609	0.6
593.13153	7.4
593.22266	0.8
594.13373	1.3
766.44647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80859	2.0
59.01393	11.2
60.99291	5.6
61.98844	15.3
70.77026	5.3
71.01398	9.1
72.99318	12.1
73.02979	2.1
78.95905	4.9
83.01408	2.1
83.05041	2.8
85.02946	4.4
88.03596	2.0
88.98813	34.3
89.02438	4.9
96.96013	5.7
101.02453	7.1
125.02467	2.2
163.11311	4.1
171.10316	2.3
209.11848	100.0
210.12134	6.8
227.12946	15.6
253.09210	3.6
257.81409	2.4
445.20782	3.0
525.43787	2.2
607.36749	3.0
684.14484	2.2
797.34766	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	795.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.6
59.01386	23.3
60.44541	1.2
61.98856	8.6
69.03458	1.2
71.01393	4.4
73.02966	1.2
74.70914	1.2
76.25530	1.3
78.95904	3.0
80.02672	1.4
81.03490	1.6
83.01387	1.4
83.05040	7.9
85.02964	9.1
87.00913	2.0
89.02469	2.4
96.96043	5.8
101.02444	4.8
101.29643	1.3
109.04950	1.3
109.06614	2.7
110.77560	1.0
113.02470	1.7
142.02727	1.9
161.04567	1.9
171.10295	6.4
177.12842	6.7
181.56738	1.2
195.13939	2.8
209.11810	1.4
221.11845	78.9
222.12167	4.2
235.08195	6.3
239.12895	37.3
240.13330	1.5
253.09363	8.1
277.21753	100.0
278.22098	9.9
281.24860	1.8
457.20819	3.1
475.21701	8.4
579.59552	1.3
735.43585	11.1
736.43481	2.7
795.40027	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	795.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.0
60.99315	16.6
61.98832	1.1
70.68704	0.5
70.69080	0.5
71.01397	2.8
72.99311	0.3
73.02943	0.4
75.00902	0.3
78.95924	0.3
83.01392	0.3
83.04998	0.3
85.02958	1.2
87.00898	1.3
88.00426	1.7
88.98816	100.0
89.02448	5.7
89.99147	1.0
95.01389	0.3
96.96027	2.0
99.00965	0.3
101.02444	0.6
101.68753	0.3
107.83298	0.3
113.02445	0.5
125.02445	0.4
125.09817	0.3
127.22683	0.3
133.84369	0.3
161.04547	0.3
171.10240	1.3
183.13930	0.4
194.47266	0.2
201.11388	0.6
207.10150	0.4
209.11839	3.2
210.12204	0.4
222.89702	0.3
227.12895	0.3
228.13307	0.3
229.04971	0.3
390.41214	0.3
405.34549	0.3
418.77136	0.3
587.35229	0.4
605.35529	1.3
623.36499	0.6
636.44098	0.3
795.35968	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	11.5
61.98853	4.4
64.03921	1.6
69.40605	14.1
71.01398	27.7
73.02972	1.9
85.02976	2.2
85.09367	1.7
89.02478	4.2
99.00875	2.4
101.02445	6.4
109.06594	4.8
113.02459	3.3
117.66796	1.9
125.02448	2.6
125.09751	3.0
127.11273	2.0
161.90182	1.9
163.11284	3.6
171.10274	51.2
172.10646	2.5
179.05508	1.9
181.08717	2.0
181.12309	2.8
199.09787	25.1
199.13359	5.1
201.11351	36.9
207.10260	19.9
223.09697	4.9
225.11366	35.7
226.11800	3.1
235.08211	5.7
243.12346	5.6
251.61369	1.8
253.09308	21.0
277.21747	100.0
278.22165	11.4
407.19006	3.4
417.17523	2.4
435.18665	6.2
443.19186	5.5
454.38324	1.8
459.18845	2.4
461.20346	12.2
513.30774	2.9
695.40631	8.5
719.39587	4.0
721.41779	10.6
722.42340	3.0
737.40472	2.1
739.42865	6.7
757.43768	12.6
758.43762	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	793.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	11.2
61.98838	3.4
69.70008	0.8
70.76505	1.8
70.76817	1.3
71.01391	15.3
73.02977	1.8
83.01428	1.2
83.05057	1.2
85.02968	1.8
87.00894	1.5
89.02452	2.4
97.02934	1.3
99.00906	1.9
101.02435	3.5
109.06611	2.1
113.02454	1.3
125.09790	1.9
155.10847	1.3
163.11311	1.3
171.10280	21.6
177.09219	1.0
179.10741	1.2
181.08711	1.7
181.12334	1.7
199.09792	13.8
199.13365	2.3
201.11346	14.6
207.10286	9.1
223.09792	3.1
223.13364	2.0
225.11356	16.5
235.08229	8.2
243.12497	2.5
253.09271	11.9
277.21756	100.0
278.22092	11.9
291.19388	2.5
296.22180	1.1
365.23602	1.1
417.17474	1.1
435.18881	1.1
443.19089	1.1
461.19986	2.8
513.30731	2.5
643.75287	1.2
695.40680	4.8
696.40234	1.2
719.39435	1.3
721.41742	6.7
722.42877	1.3
737.41278	2.0
739.42322	3.6
740.43591	1.4
757.43933	6.4
758.43951	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19626	1.8
57.03448	2.7
57.34035	2.0
59.01391	27.8
71.01392	18.8
71.54211	2.1
72.99326	3.0
83.01389	3.0
85.02979	9.8
87.00882	4.0
87.04512	3.7
88.04066	2.0
89.02470	8.9
91.85147	2.1
93.03468	2.0
95.05058	3.7
95.46827	1.9
96.96024	11.3
99.00895	2.8
101.02452	7.3
107.03812	4.9
111.17620	2.2
113.02469	2.9
119.04951	2.0
120.08209	28.5
121.05373	6.6
122.06145	59.9
123.06489	2.5
125.02472	4.7
134.06133	3.0
136.07726	2.5
137.02396	2.2
144.04572	5.5
147.76128	1.9
149.02385	2.4
150.03201	8.0
151.03856	3.4
164.07243	2.9
165.05576	6.7
165.10344	6.1
167.03438	2.4
172.07631	2.2
174.05640	5.0
174.09338	2.1
195.06602	4.0
203.05928	6.0
213.10565	2.3
215.12097	1.9
223.08951	2.5
236.09555	6.3
237.10286	5.4
237.12384	3.6
239.08304	2.3
239.11990	3.0
249.10413	6.7
250.11153	4.3
251.11911	27.4
252.12473	3.7
263.08298	4.5
263.11887	5.2
264.09058	7.7
265.10056	4.6
265.13464	11.3
267.11636	2.6
271.11282	7.9
276.09088	7.1
277.09830	29.9
278.10513	17.2
279.06827	2.8
279.11304	5.6
285.04141	7.6
287.14264	2.1
291.11432	33.5
292.12198	35.4
293.09702	2.1
293.12961	47.1
294.13733	6.7
301.03751	2.2
310.09525	2.8
319.10931	3.5
324.11282	3.7
325.11874	5.4
326.12994	3.3
335.10349	13.8
336.11163	18.6
337.12006	16.4
344.14081	2.6
353.06796	2.3
357.15051	2.5
358.15564	5.2
359.16306	2.2
371.11694	5.5
372.17072	13.6
373.17969	6.8
374.18729	7.5
383.11542	8.4
384.13455	3.2
386.15189	7.9
397.14053	2.2
399.16257	2.8
400.16690	10.9
412.16693	3.3
414.18329	25.0
415.18900	9.4
416.19653	2.1
418.17786	8.7
441.17123	8.7
458.17242	16.0
459.17880	36.7
460.18839	7.0
478.19888	3.0
490.19925	44.2
491.20297	7.3
495.24384	6.1
537.25208	18.5
538.25336	2.8
563.23358	2.6
581.24084	61.2
582.24365	15.0
613.26715	87.2
614.26959	19.8
638.23657	6.2
639.24268	15.8
640.25000	2.8
670.26306	16.3
671.26770	5.7
761.30450	100.0
762.30811	24.8
793.33185	68.7
794.33588	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	3.6
68.99820	2.3
71.54512	1.7
83.01387	2.5
91.01893	4.3
110.00114	6.4
123.00916	2.9
124.01680	1.6
133.06618	2.7
135.08162	2.1
137.99625	6.4
149.02467	1.9
149.06059	1.2
151.00377	4.9
152.01183	5.9
156.00616	1.4
157.06552	1.2
163.00401	5.6
163.04004	8.2
163.07558	1.4
164.01038	1.5
164.04753	1.9
165.01900	3.4
172.21764	1.1
177.01872	2.8
177.05588	4.0
178.06415	7.3
178.99850	2.3
179.07076	2.9
187.11313	8.8
190.99872	3.4
191.03558	4.4
191.07135	6.6
192.07941	3.2
196.23651	1.1
205.05086	7.9
206.05807	5.2
207.06622	15.6
219.06619	6.5
220.07368	9.6
221.08131	4.3
234.05348	25.3
235.06110	27.6
235.37372	1.4
247.06186	1.8
248.06920	19.6
249.07312	2.3
311.28650	1.3
351.12207	1.3
352.66910	1.2
379.11874	2.9
422.17361	61.0
423.17865	8.0
491.24429	100.0
492.24832	19.1
508.73273	1.4
652.52356	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
83.24783	12.3
87.61765	10.8
92.73949	12.1
98.19931	25.6
102.74126	12.1
103.71450	10.1
155.51668	13.0
172.58565	11.7
209.11824	100.0
209.23863	12.6
210.12244	15.3
277.21747	95.4
342.01901	12.3
386.15439	11.2
437.28958	11.5
474.09698	12.7
485.04272	13.8
600.18518	16.2
647.05176	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	791.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10638	4.7
59.01370	8.4
61.98826	13.7
63.29173	5.1
68.62608	4.9
71.01393	12.1
71.54086	7.7
73.02918	4.8
78.95902	7.2
89.02452	7.8
89.73693	5.9
96.96049	29.8
98.95537	5.8
99.92610	6.1
101.02465	7.7
116.92899	45.5
116.97247	6.9
125.02444	10.7
171.10236	14.7
207.10226	11.2
209.11864	100.0
210.12138	7.6
222.12712	5.5
225.11292	12.5
227.12888	20.3
235.08038	7.5
237.61357	5.5
253.09256	13.9
257.12549	6.3
289.18100	13.8
291.19675	16.6
293.21332	14.1
307.19110	22.7
308.19455	5.7
309.20700	18.9
378.51221	6.1
387.44675	5.6
449.15460	5.9
630.32373	5.5
735.39545	7.1
743.91656	5.8
755.42096	11.7
791.39386	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	791.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.9
60.00021	5.8
60.39190	5.6
61.98829	20.0
71.01389	21.3
71.54765	6.0
81.85674	5.6
83.05059	5.8
85.02973	8.6
88.49764	4.8
93.06693	5.4
96.95996	32.0
101.02460	5.4
110.99165	4.7
113.02431	6.3
114.46503	4.8
115.34522	5.7
116.92892	9.4
125.02451	8.6
131.64925	5.0
171.10246	22.4
197.11891	6.5
199.09787	8.3
209.11842	100.0
211.13402	18.2
225.11229	7.3
227.12831	26.8
235.08205	9.9
253.09335	20.5
291.19550	11.9
309.20761	51.2
310.21106	9.9
322.57419	5.9
397.13629	6.9
467.43979	5.6
570.66199	5.7
726.84674	6.7
791.38879	29.4
792.40717	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	791.4
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40937	3.2
70.58060	10.7
71.01408	3.6
78.13421	3.6
89.02490	4.6
96.96008	3.8
116.92946	3.5
197.11795	23.5
209.11858	100.0
210.12155	11.6
211.13380	4.1
227.12996	25.6
235.08206	5.7
253.09341	19.8
291.19687	15.1
309.20737	64.4
310.21136	6.1
314.38098	4.0
318.71024	4.2
445.21204	4.6
545.29358	6.6
546.30444	3.9
722.12384	3.5
791.40106	39.9
792.40973	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	791.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	6.4
60.09686	1.9
61.98823	8.3
68.99817	2.3
71.01397	10.4
72.62758	1.9
72.99314	2.4
73.02922	2.7
78.95924	17.3
83.96604	2.1
96.95959	2.0
101.02454	5.2
104.97513	2.4
111.04516	8.1
113.02473	2.5
152.99536	5.3
160.03619	2.3
161.09691	2.7
171.10291	18.1
177.09244	3.8
179.10806	5.8
181.08644	2.2
185.11838	3.2
197.11865	5.1
199.09729	14.7
201.11377	3.1
205.08694	10.9
213.11336	4.7
215.13046	2.5
223.09804	30.6
235.08218	7.1
241.10788	2.4
253.09306	10.3
263.13416	1.9
277.21750	100.0
278.22141	13.1
417.18182	2.4
441.17429	3.9
459.18735	7.8
479.23718	2.3
513.30481	2.2
695.40070	15.0
696.40546	5.0
719.40045	19.7
720.40540	5.2
737.41156	26.3
738.41394	6.4
791.47394	10.3
792.47894	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	791.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
56.02129	0.7
57.03438	3.1
59.01388	31.6
61.33337	0.7
67.01887	1.2
68.99805	1.3
69.03453	0.9
71.01392	26.4
71.54231	1.2
72.99322	5.6
73.02965	9.3
75.00484	0.9
75.00887	15.5
82.95400	0.6
83.01388	3.4
84.95139	1.1
85.02968	19.6
87.00884	5.9
89.02448	5.8
90.83482	0.6
92.08874	0.7
93.03461	1.0
95.01401	4.0
96.96019	12.8
97.02963	1.2
98.95625	2.0
99.00887	8.9
101.02464	8.4
103.00397	0.8
112.01634	0.7
113.02477	17.4
115.00360	1.5
116.92899	4.2
116.97210	0.8
117.01921	1.7
122.16688	0.7
125.02509	0.9
125.11474	0.8
129.01917	0.7
141.30766	0.8
157.01418	1.0
171.10266	1.4
175.02451	1.9
205.07243	0.8
207.10237	1.8
209.11784	5.6
225.11362	3.0
249.06209	6.7
267.07318	1.5
275.20319	3.5
277.21738	1.6
293.21323	8.3
436.23956	0.9
455.26932	3.6
497.27420	1.7
527.28619	1.5
689.34131	1.2
705.33148	2.4
721.37231	0.9
729.33484	2.9
746.27124	0.8
747.34515	100.0
748.34851	25.8
791.43292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	42.6
64.65887	1.4
65.42194	1.4
69.24306	13.7
71.01398	10.6
73.02945	2.1
85.02966	14.3
89.02451	8.5
96.96019	1.4
98.20613	3.2
101.02467	8.6
113.02479	5.1
119.03509	3.5
125.02467	2.1
140.07182	4.9
143.26122	1.2
155.53096	1.3
163.11308	3.5
180.90315	1.3
191.01994	7.6
207.10263	6.4
209.03094	2.5
316.72382	1.5
387.16666	100.0
388.17169	11.7
403.19696	4.1
408.36160	1.5
457.44440	1.6
460.33411	1.4
475.81311	1.5
489.59116	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.8
57.03438	2.1
59.01386	29.5
61.98831	3.4
62.94533	0.9
69.03455	1.2
71.01389	28.5
71.54287	1.6
72.99319	7.4
73.02959	9.5
75.00880	13.4
82.95399	1.4
83.01399	3.5
85.02965	17.7
87.00890	8.4
89.02454	7.1
89.83971	0.8
90.74610	1.0
95.01420	4.4
96.96027	22.5
97.02959	0.8
98.95600	3.0
99.00901	8.1
101.02460	9.2
109.06625	1.9
112.01752	0.8
112.98629	0.9
113.02462	19.7
115.00401	1.4
116.92892	6.2
117.01965	2.4
117.92918	0.9
118.92670	1.0
119.03488	1.7
125.02473	2.0
129.01968	1.8
157.01413	1.4
163.11275	1.9
171.10342	2.8
171.20470	0.9
173.63893	0.9
175.02521	2.7
181.12383	1.9
183.10248	2.5
197.11864	1.2
199.09753	1.4
201.11365	1.0
207.10243	3.9
209.11870	9.8
210.12169	1.4
211.13411	2.1
225.11363	4.8
249.06221	6.1
253.09331	1.9
267.07184	1.7
275.20108	2.6
277.21713	3.8
289.05386	1.2
437.25223	1.3
455.26614	4.0
497.27747	4.1
566.80664	1.0
671.32941	2.7
689.33954	1.9
705.33594	1.7
721.36334	2.1
729.33569	3.0
747.34503	100.0
748.34888	24.2
759.28809	3.0
791.37543	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	8.7
61.98842	100.0
69.21483	56.1
71.01392	30.4
78.95924	8.8
94.10837	6.1
96.96021	18.1
101.02471	7.2
119.05074	7.4
125.02478	10.4
147.53319	6.4
165.12904	8.3
171.10220	7.4
179.10768	6.7
207.10286	5.9
209.11838	71.7
217.40120	5.6
225.11348	24.8
227.12914	19.4
235.08350	7.2
253.09378	12.0
263.20361	7.3
289.18057	10.2
291.19699	12.4
307.19293	36.5
309.20706	7.3
320.30267	6.6
327.21725	13.7
445.20483	7.2
543.28015	13.8
753.40790	15.7
789.39441	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	791.315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	23.6
61.75778	2.4
61.98822	3.2
66.00501	2.6
71.01387	11.6
81.30257	2.5
82.31897	2.8
83.05052	3.0
85.02947	6.4
87.00891	4.2
89.02448	6.5
96.96036	33.0
98.20683	7.1
101.02430	7.2
102.14902	2.3
113.02446	3.1
116.92963	3.1
122.06147	20.2
125.02444	6.9
134.06143	6.9
141.27559	2.5
144.04582	3.4
144.50775	3.0
150.06865	2.5
151.00403	4.5
160.06415	6.3
167.03450	4.5
171.10313	13.1
177.01990	5.9
185.11841	2.6
198.07895	2.8
203.05980	4.1
209.11839	17.2
210.12280	2.5
213.10307	19.8
224.08971	2.6
225.11472	6.5
229.41281	2.9
239.11862	9.4
241.13438	13.6
251.11765	4.2
253.09261	3.3
269.04636	13.0
283.10806	4.7
285.12436	46.6
286.12686	4.3
325.12183	4.3
341.11618	5.2
342.16290	3.2
356.13919	15.0
369.14377	2.6
370.15564	10.9
371.16437	3.0
372.17386	5.4
384.13290	4.6
397.14063	6.0
398.15103	18.8
399.15396	4.1
412.16714	6.1
413.17267	4.4
493.22519	11.2
535.23645	15.4
536.23938	4.1
561.21460	7.9
579.22498	43.2
580.22876	11.6
611.25232	28.0
612.25238	8.2
672.20404	2.9
753.86365	2.9
759.28876	100.0
759.42621	5.0
760.29065	26.3
791.31567	33.7
792.31555	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	789.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17738	4.3
59.01375	5.2
61.98843	11.0
68.89970	4.2
71.01372	9.2
71.54609	6.0
88.98811	6.9
96.96027	100.0
171.10231	5.9
197.11855	6.1
209.11790	20.2
225.11232	12.1
229.43283	4.5
291.19724	7.4
309.20752	15.7
477.86526	5.1
694.50995	5.1
753.40314	7.3
789.39038	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	789.384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	10.1
61.98836	23.7
69.40195	12.7
69.40596	41.7
71.01382	16.5
77.23450	5.5
78.95916	9.8
88.98811	18.4
89.02416	8.9
96.96027	49.5
113.02486	8.5
121.82358	5.6
125.02413	6.6
147.73972	5.2
171.10318	16.0
187.11226	7.2
192.65886	6.8
207.10297	14.5
209.11856	100.0
210.12157	7.4
225.11339	23.6
227.12918	18.3
235.08047	6.6
253.09311	22.4
266.06268	6.5
289.18182	40.1
291.19568	8.9
303.82635	6.1
307.19125	46.2
309.20703	17.3
359.14047	6.9
369.25116	5.3
461.20236	14.8
513.23535	6.5
717.39166	7.2
753.41083	15.7
789.37866	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83718	1.7
57.03457	2.7
57.46736	1.6
59.01387	16.2
61.98843	17.2
68.99590	4.0
71.01392	22.8
71.54540	1.7
71.54969	2.7
73.02943	5.0
78.95918	2.1
79.95744	4.3
82.95422	6.6
83.05035	3.8
84.95129	3.1
85.02962	4.5
87.00867	2.0
89.02459	7.1
96.96027	100.0
97.02938	4.2
97.06620	2.4
98.95595	5.3
99.00901	8.9
99.92609	5.7
101.02472	8.6
101.41739	1.9
109.06592	8.4
112.98579	3.1
113.02451	3.4
116.76146	1.7
116.92887	54.0
116.97259	4.0
117.02001	2.1
117.92900	4.3
125.02436	3.7
125.09714	3.3
137.98741	2.2
163.11270	8.0
171.10297	15.5
181.12416	9.0
197.11821	7.1
199.13388	8.3
207.10275	31.1
208.10742	1.9
209.11859	85.0
210.12218	8.1
211.13377	4.6
225.11354	36.6
226.11638	3.1
227.12918	20.0
228.13503	2.0
230.76630	1.7
235.08171	3.2
243.12401	7.4
253.09326	10.6
271.06091	7.0
327.21667	4.2
397.23715	2.1
399.21631	2.4
414.30173	2.1
443.19156	2.2
461.20328	8.6
462.19888	2.9
479.21375	5.8
497.27521	6.1
517.77002	2.4
635.30499	4.6
653.31976	8.6
671.32574	11.6
672.33020	3.3
689.33917	24.7
690.33911	6.1
721.36676	15.5
722.37366	2.6
776.56409	2.2
789.41632	8.1
818.25684	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	789.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.7
61.98838	11.8
71.01393	21.5
71.05019	3.1
71.54314	3.2
72.99346	2.7
73.02962	3.3
78.95877	3.1
79.95771	2.4
80.02687	2.3
81.03477	3.5
82.95430	14.9
83.05044	7.1
85.02966	5.7
87.00893	2.9
89.02480	6.7
95.01405	3.1
95.05024	1.9
96.96026	99.6
97.02982	3.7
97.06619	2.0
98.95611	14.8
98.96444	3.7
99.00891	9.6
100.62841	2.2
101.02474	7.6
103.46483	1.7
107.05014	1.8
108.70325	1.9
109.06611	7.8
112.98605	3.9
113.02469	5.5
116.92876	20.0
123.04485	2.1
125.02399	2.1
125.09739	2.9
137.05994	1.9
153.09198	3.8
161.04556	3.0
163.11317	12.7
165.12839	2.9
171.10266	14.5
181.12434	12.9
185.11852	3.5
191.10924	2.5
197.11867	6.3
199.13399	10.3
201.11385	14.3
207.10313	35.3
208.10637	2.1
209.11845	100.0
209.29620	1.8
210.12183	9.0
211.13402	3.5
225.11345	43.8
226.11528	3.1
227.12927	15.6
232.11755	2.5
232.52858	1.8
235.08238	5.5
243.12448	7.6
253.09344	16.3
289.05411	3.7
307.19080	11.1
325.20285	5.2
327.21817	4.0
443.20007	2.3
461.20230	11.5
479.21429	7.9
635.30774	5.8
653.32080	7.2
671.32794	13.2
672.32825	4.0
689.33899	28.3
690.34143	6.7
721.36505	18.2
722.36499	4.9
789.43268	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	789.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	38.0
63.36533	0.8
64.82149	0.8
65.98782	0.9
68.01458	0.9
70.48867	2.1
71.01393	10.5
72.99310	1.2
73.02970	0.8
76.00000	0.7
83.57717	1.0
85.02948	5.3
89.02452	9.3
92.55810	0.8
101.02469	6.4
113.02454	5.0
113.55131	0.9
118.12904	0.9
119.03515	3.8
122.02925	0.8
125.02420	0.8
140.07187	2.1
149.02437	4.6
156.08144	0.9
163.11258	4.0
164.04779	3.1
165.05084	1.0
167.92299	1.0
177.01894	1.0
179.07080	1.0
191.02049	1.8
200.88701	0.9
207.10274	7.9
208.03790	4.6
209.03036	2.5
223.06143	11.4
224.06430	3.9
225.06595	0.9
385.11646	2.2
387.16650	100.0
388.17133	10.5
403.19901	1.0
593.88306	1.0
721.33295	1.1
733.55621	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.8
59.01387	60.4
60.01721	0.9
62.97774	0.4
69.03475	0.5
71.01389	8.7
71.54927	0.4
72.99342	0.6
73.02955	4.7
74.03275	0.5
75.00903	0.7
81.03473	3.6
82.43264	0.4
83.01392	2.6
85.02956	10.2
89.02467	1.0
95.01408	1.1
96.96034	0.8
99.00903	1.1
99.08227	0.6
101.02457	5.6
103.85509	0.4
111.00924	0.6
113.02464	3.6
119.03539	0.5
119.05071	2.0
123.08183	1.0
125.02473	3.6
125.06094	4.0
129.01959	3.3
133.32233	0.4
136.05305	0.5
141.09261	0.6
147.02983	0.9
147.08180	0.7
149.02444	0.6
150.03209	0.9
151.00430	0.6
159.03067	0.4
161.04584	3.5
163.04051	4.4
165.01962	1.2
165.09222	17.4
166.09503	0.9
171.10291	0.4
173.00883	1.1
180.04314	0.9
191.01955	3.0
191.07150	1.2
193.12271	0.4
195.06586	1.3
195.93364	0.4
197.91869	0.4
209.08212	100.0
210.08525	5.8
218.88916	0.4
225.07664	1.0
233.08208	0.6
238.65273	0.4
251.09329	1.0
255.12471	2.4
331.17642	5.4
337.05661	1.2
371.13495	13.8
372.13922	1.2
373.18744	4.6
394.46994	0.4
417.16898	0.8
417.21426	1.5
451.16257	0.9
459.16541	0.4
537.21136	1.0
581.18536	0.9
617.61938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	36.6
66.96529	0.7
69.55587	4.3
71.01401	7.7
72.99304	0.8
73.02970	3.4
78.15329	0.6
83.01384	1.2
85.02947	4.0
87.00890	0.9
89.02475	4.3
95.01388	0.8
96.96026	4.1
98.20657	1.0
101.02463	3.9
107.01401	2.7
113.02461	5.7
119.03521	1.9
121.02988	0.9
133.02977	12.2
134.03287	0.8
138.80510	0.7
143.03534	1.3
149.02446	2.0
149.04507	0.7
151.00366	5.5
154.34052	0.6
161.04523	2.1
175.04027	4.4
179.05632	1.6
198.02974	0.8
199.04034	2.4
201.01898	1.2
217.05096	2.5
241.05258	1.1
255.06575	1.6
267.07260	0.8
285.04086	100.0
286.04413	8.7
314.95755	0.6
399.23920	7.8
400.24536	0.7
417.25058	3.2
424.05765	0.9
455.91888	0.7
459.25790	7.0
460.26364	1.2
512.95300	0.8
789.31372	0.8
811.39392	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36013	0.5
59.01387	33.5
65.00335	1.3
71.01393	5.9
73.02956	2.1
83.01401	1.3
85.02946	3.1
89.02460	3.9
91.01936	0.6
93.64426	0.6
96.96010	1.9
98.20728	0.8
101.02462	3.9
103.10005	0.6
107.01405	3.6
113.02455	5.1
119.03514	1.1
119.05009	3.1
121.02924	0.8
133.02963	12.4
135.00890	1.5
137.02486	0.7
147.03204	0.5
149.02481	2.6
151.00375	6.1
161.04564	1.8
162.03302	0.7
171.64313	0.5
175.03973	3.7
177.05548	0.6
179.05635	1.6
197.74651	0.5
199.04086	2.7
201.02130	1.0
217.05083	1.7
222.87050	0.5
229.19820	0.7
241.04964	1.0
255.06619	6.3
256.07147	0.6
269.71060	0.5
284.75870	0.5
285.04071	100.0
286.04410	9.7
293.24176	0.6
399.23941	7.0
400.24155	0.6
417.24841	3.3
459.26059	6.1
460.26593	0.9
504.92850	0.6
789.32056	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37689	20.4
61.98837	100.0
71.01389	44.5
71.54136	19.8
78.95893	23.7
88.32899	23.4
96.96047	39.0
125.02465	25.4
135.24043	19.0
146.71420	21.1
149.29613	20.8
173.68289	20.7
183.13812	43.2
183.98726	20.2
200.71246	22.4
207.10237	44.3
211.13528	23.4
223.13469	79.5
225.11337	49.3
253.09195	35.4
309.20724	27.3
461.93283	20.5
787.41565	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	8.2
61.98822	4.3
69.90850	3.4
69.91244	3.4
71.01394	19.1
74.66148	1.4
78.95899	2.0
83.05032	5.3
84.02153	1.6
85.02985	1.6
87.00877	3.1
89.02464	3.0
96.96029	12.7
97.06606	2.8
98.95620	3.9
98.96428	1.6
101.02438	7.0
111.08138	7.2
113.02483	2.8
139.39209	1.5
141.36034	1.7
163.11330	3.6
165.12822	3.5
169.12340	3.9
171.10275	7.6
181.12329	2.1
185.11938	1.7
197.10042	1.8
197.11870	31.8
199.09804	1.4
201.11252	1.9
207.10225	2.6
209.11839	100.0
210.12215	8.7
211.13327	4.1
225.11308	4.1
225.15010	1.6
227.12939	14.5
235.08176	4.0
253.09328	16.5
259.15561	1.9
289.18079	3.7
291.19696	14.8
292.19965	2.4
309.20749	37.8
310.20880	4.3
341.23703	1.8
380.91330	1.4
445.20874	2.4
645.97925	1.7
787.41138	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	787.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
57.03454	4.8
57.46778	0.9
59.01386	24.2
69.03455	1.5
69.50912	6.2
71.01011	1.6
71.01391	23.1
71.88118	0.9
72.99314	7.0
73.02947	3.2
75.00888	15.7
76.55029	0.9
83.01386	3.2
85.02965	26.3
87.00883	4.8
88.98814	1.8
89.02459	8.3
95.01414	5.4
96.91249	1.0
96.96024	4.1
99.00890	8.7
101.02457	6.2
103.00374	2.0
111.00893	1.0
113.02463	15.8
115.00361	2.1
117.01955	2.6
119.03542	1.0
119.04962	1.1
120.36105	1.0
123.00902	2.3
124.01617	1.0
125.02434	2.2
129.01944	2.4
148.38831	0.9
149.02441	1.3
161.02277	1.0
163.03983	1.3
167.03438	1.1
168.00682	1.5
169.46602	0.9
175.02539	1.4
185.11877	1.9
185.23178	1.2
191.01981	3.8
203.03445	1.0
209.02881	1.2
231.04900	1.0
233.08150	1.2
249.06079	6.2
267.07330	1.8
269.00937	1.2
311.05801	1.4
312.06418	2.6
329.23367	2.2
331.06934	1.0
331.61539	1.0
339.05127	1.4
357.26440	3.6
367.04861	1.0
369.05994	1.3
373.03473	1.6
375.27521	14.3
376.27969	2.0
377.31299	1.0
401.37781	1.0
418.03345	4.1
419.03622	1.4
499.77481	1.1
519.31543	2.5
537.32922	22.6
538.33276	2.3
607.12805	3.1
656.47046	1.0
667.15887	1.9
683.38409	3.1
727.15649	4.0
743.40588	1.3
787.22168	6.5
787.39709	100.0
788.19086	1.3
788.24890	1.5
788.40161	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	787.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.7
59.01381	6.6
61.98838	23.9
62.92601	1.3
64.48391	1.3
68.99588	4.3
71.01379	8.9
71.55021	2.3
72.99303	1.2
73.03001	1.4
78.95914	19.9
79.95747	4.3
80.91677	3.5
81.03474	2.0
82.95424	10.3
84.02181	1.3
85.02959	5.1
89.02438	3.5
90.83998	1.2
95.01379	1.7
96.96020	100.0
96.96923	7.0
97.02938	1.7
97.06581	1.5
98.95634	1.4
101.02456	3.3
109.06654	1.7
112.98579	4.6
113.02459	3.0
116.92928	1.4
125.02457	2.5
125.09746	2.2
161.04584	2.4
163.11313	1.8
171.10295	9.4
185.11790	2.0
197.11824	5.1
198.12207	1.6
201.11368	4.6
201.73247	1.3
209.11835	32.2
210.12178	2.9
211.13409	2.6
223.98735	1.4
225.11322	4.3
227.12846	3.5
235.08263	3.7
253.09314	5.1
272.66302	1.4
273.17163	9.0
277.18280	1.4
307.19156	3.1
325.20511	1.5
327.21689	2.4
341.23248	3.0
399.88708	1.3
445.20877	2.3
600.96686	1.4
787.29590	4.6
787.42090	14.3
787.80524	4.0
788.40527	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	787.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.7
57.03455	17.0
59.01384	9.9
61.98832	8.0
67.01890	1.0
69.34998	7.0
71.01389	18.2
72.99316	4.1
73.02965	2.2
75.00880	62.3
78.91904	0.8
78.95914	2.2
79.95746	1.8
80.96513	1.6
83.01395	6.6
84.02168	3.4
85.02960	100.0
86.03310	2.1
86.63935	0.9
87.00878	6.6
88.98816	1.5
89.02464	2.3
93.03492	0.9
95.01380	1.2
96.96017	27.8
96.96957	1.9
99.00883	2.8
101.02454	6.0
103.00423	1.0
111.00898	10.5
113.02465	3.2
116.92855	2.4
119.05043	48.6
120.05353	1.9
125.02448	1.7
129.01958	50.6
130.02277	1.8
137.02461	1.0
145.02953	2.5
147.03004	7.6
163.04025	74.0
164.04359	4.1
173.00923	25.3
174.01376	1.0
177.02042	0.9
181.46228	0.8
191.01993	57.0
192.02342	2.5
285.04175	1.1
287.22217	5.0
293.06738	2.8
319.18884	1.1
337.05673	46.6
338.06088	4.1
431.26541	7.6
432.26535	1.4
449.27618	16.6
449.98468	1.0
450.27853	2.5
579.30206	31.1
580.30695	5.2
605.28271	5.1
606.28009	1.5
623.29291	6.8
624.29663	1.2
625.26880	1.0
641.30383	10.3
642.30426	2.5
743.35303	1.1
751.41614	1.3
769.30707	1.4
787.30829	1.3
787.45496	6.1
788.43744	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.6
57.03458	12.2
59.01386	11.2
61.22514	0.6
61.39587	0.6
61.98837	46.6
63.99258	0.9
64.78576	0.6
68.99838	0.8
69.49596	1.7
69.50012	3.1
71.01392	10.9
72.99313	2.5
73.02956	1.9
75.00880	27.7
78.95928	1.6
79.95758	1.3
80.05647	0.6
80.96542	0.8
83.01405	3.2
83.56630	0.6
84.02168	2.6
85.02961	100.0
86.03295	1.8
87.00912	3.3
89.02447	1.0
96.96023	17.8
96.96964	1.3
98.95621	1.1
101.02475	2.7
103.00371	1.9
111.00896	3.2
113.02461	1.5
119.05045	10.8
125.02454	1.2
129.00966	1.1
129.01956	20.3
130.02315	1.0
142.05385	0.7
145.03006	0.8
147.03015	8.5
161.04512	0.8
163.04028	14.9
173.00949	8.4
177.01903	0.7
182.70113	0.7
191.01994	77.8
192.02414	3.9
197.12097	0.8
209.03009	1.2
209.11755	1.3
287.22226	3.4
293.04138	1.2
293.06998	1.9
294.05032	0.8
295.06131	0.8
325.20422	0.9
337.05676	24.1
338.06113	2.2
355.56812	0.7
390.28113	0.6
431.26614	4.3
432.26605	0.8
449.27713	9.2
450.27863	1.2
499.10965	1.0
579.30273	12.3
580.30914	2.3
605.28320	2.9
623.29291	7.7
624.29700	1.2
641.30273	11.0
642.31281	1.3
787.32715	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.0
55.56955	0.7
57.03457	1.3
58.00615	1.3
59.01387	100.0
60.01719	1.7
61.98830	1.9
69.03466	1.8
69.27213	6.3
71.00973	0.8
71.01045	0.6
71.01389	48.0
72.99326	3.4
73.02956	58.7
74.03281	1.3
75.00888	2.9
78.95935	3.2
81.03474	1.0
83.01395	18.4
83.01897	1.0
84.68510	0.9
85.02957	9.1
87.00893	1.9
88.98850	0.9
89.02460	9.6
95.01410	1.8
96.34248	0.7
96.96046	4.6
96.96980	1.9
97.03036	1.0
99.00911	1.1
101.02457	49.0
109.03004	0.8
113.02469	16.9
114.02855	0.8
119.03535	4.0
121.02991	3.5
122.03799	2.1
123.00898	0.9
124.04093	1.0
125.02493	2.9
129.02017	1.1
131.03543	4.3
135.04614	2.8
136.01714	2.9
137.02472	1.7
143.03526	4.6
149.02463	6.1
149.04529	5.6
150.03252	7.3
151.00351	1.4
151.04050	3.2
155.03531	1.6
161.02522	1.4
161.04585	10.7
162.03241	1.7
163.04066	2.4
164.04843	2.0
165.05531	4.5
166.02757	1.6
166.05069	1.4
174.03346	0.9
175.04138	3.2
177.05583	2.0
178.21075	0.8
181.05090	2.7
189.05653	1.6
190.06493	2.0
191.01993	1.4
195.06699	4.8
203.05682	1.3
207.06747	1.5
267.07239	1.4
356.12842	0.8
369.13611	2.7
386.13858	3.0
387.14517	4.6
434.13303	1.4
505.18787	1.4
535.19861	23.1
536.20416	5.3
565.21234	1.8
585.29382	1.0
743.35901	5.7
770.24402	0.9
788.25159	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
62.98544	0.2
69.57748	0.4
69.58161	0.4
78.95895	0.2
98.19894	0.2
163.73759	0.1
166.99670	0.1
209.11880	0.5
210.12265	0.3
277.21832	0.3
278.22211	0.2
482.21899	0.1
687.96497	0.1
787.38757	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.6
57.03448	1.0
57.04609	0.7
58.00610	1.9
59.01386	100.0
60.01729	1.4
61.75598	0.6
61.98843	2.5
68.85310	0.6
69.03471	1.5
69.16513	6.8
71.01392	51.9
72.01712	0.8
72.99319	2.7
73.02956	59.3
74.03300	1.1
75.00896	2.8
78.95933	2.2
81.03470	0.7
83.01398	17.0
84.99187	0.6
85.02964	9.7
87.00907	2.2
88.98820	0.8
89.02446	10.3
93.03502	1.4
95.01403	1.9
96.96021	4.5
96.96970	1.7
97.02973	1.3
99.00890	1.5
101.02453	46.9
102.02788	1.0
112.04111	0.9
113.02468	14.8
113.44991	0.8
119.03532	3.1
119.05043	0.8
121.02996	2.9
122.03799	2.0
123.00787	0.7
124.04047	1.1
125.02434	3.6
129.02020	0.8
131.03514	4.0
134.03755	1.0
135.04591	2.6
136.01720	2.7
137.02521	1.0
138.03162	0.7
143.03557	4.7
145.03049	0.7
146.03773	1.7
147.04611	1.1
149.02469	4.9
149.04541	5.2
150.03244	6.6
151.04041	3.5
155.03508	1.8
161.04581	10.2
161.05962	1.5
162.03276	2.1
163.04068	2.1
164.04822	2.3
165.05571	5.5
166.02795	1.8
175.04135	1.9
177.02000	1.6
177.05634	1.7
179.07291	1.2
181.05060	3.2
182.62871	0.6
184.06189	1.1
189.05634	1.6
190.06390	2.6
191.02039	1.5
193.05115	1.6
195.06638	5.3
203.05699	0.9
207.06691	1.4
223.06293	0.7
246.68494	0.7
329.10178	0.8
353.10553	1.0
357.13931	0.9
369.13657	1.9
386.13861	2.3
387.14410	6.8
426.22226	0.7
434.13428	1.5
505.19431	1.5
535.19757	23.1
536.20221	5.4
565.20880	2.2
683.37604	0.9
742.36761	1.7
743.36395	5.6
758.24042	0.7
787.31299	1.0
788.24646	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
62.98526	0.1
78.95940	0.2
80.96535	0.2
97.42887	0.1
119.44835	0.1
147.92223	0.1
149.59927	0.1
151.72987	0.1
171.10234	0.1
209.11913	0.2
278.22195	0.1
380.05411	0.1
411.91449	0.1
419.19867	0.1
625.16229	0.1
787.40417	0.3
804.47333	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	786.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
61.98837	100.0
62.98510	0.4
71.01392	1.2
71.38457	0.7
78.95935	0.4
80.96537	1.6
89.02460	0.8
94.75479	0.4
101.02456	1.1
101.66626	0.4
113.02487	0.4
116.92881	4.0
116.97174	0.6
117.92902	0.5
165.12860	1.7
183.13914	13.4
184.14307	0.7
197.12086	0.4
209.11874	1.0
225.01135	0.4
227.12929	0.7
235.08296	0.6
253.09416	0.7
266.65771	0.4
277.21753	19.0
277.24857	0.9
278.22156	2.1
391.18970	0.4
445.21075	0.7
463.21719	0.8
723.43243	27.2
724.43604	7.7
735.32770	0.5
787.39130	2.5
788.12482	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	21.4
59.93004	0.8
61.98839	6.9
66.56360	0.9
71.01391	3.1
73.02921	0.8
78.95930	1.0
81.08728	0.7
82.42849	0.8
83.69746	0.8
85.02993	1.1
89.02469	2.0
101.02446	2.4
112.16625	0.7
113.02453	1.9
114.87193	0.9
116.92995	0.9
119.05005	1.0
153.12808	1.2
161.04625	1.1
169.12367	4.4
171.10231	1.1
179.05627	1.2
192.61404	0.8
197.11850	89.1
198.12148	4.8
209.11839	2.3
221.35962	0.8
235.08299	5.8
253.09303	9.3
277.21747	100.0
278.22092	11.0
279.23306	3.2
359.28506	0.8
415.19763	1.3
433.20825	5.5
434.21255	1.2
513.30743	2.4
517.77142	0.9
536.22406	0.8
654.73553	0.9
766.27032	1.0
785.42139	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	785.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.7
59.01391	32.8
61.98838	5.2
64.70139	1.7
69.03453	2.6
71.01390	30.8
71.53835	3.0
72.99307	3.0
73.02950	4.4
73.19793	1.6
78.45505	1.7
78.95947	1.7
83.01379	2.2
83.05044	3.0
85.02978	10.0
87.00877	8.1
89.02464	25.1
95.01388	2.3
96.96024	16.4
97.02959	4.3
99.00867	2.3
101.02462	16.8
109.53692	1.8
113.02455	8.0
115.74530	1.7
116.14082	1.6
119.03520	4.9
125.02432	7.2
143.03471	2.4
161.04611	2.6
171.10223	2.1
179.05585	7.2
185.11905	2.5
197.11856	5.1
209.11797	5.9
213.14975	2.1
220.98906	1.8
221.06674	2.7
225.11389	2.1
230.54733	2.0
235.08220	2.5
242.18770	1.9
245.19096	2.6
289.17944	2.0
315.27118	2.3
325.25378	5.0
341.24771	2.7
343.26382	5.8
359.25964	6.5
369.24332	8.0
371.67130	1.9
372.46356	2.1
387.25436	17.5
397.13553	6.3
405.26511	36.4
406.26697	3.0
429.37888	2.0
443.75000	1.8
503.30939	2.3
537.48560	1.8
767.38519	4.3
785.39703	100.0
786.39941	24.7
801.42621	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	785.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49932	1.4
57.03449	5.1
58.00604	2.1
59.01386	28.4
67.01887	1.3
68.57938	1.2
69.03453	1.2
69.54928	7.7
70.99198	1.3
71.01389	24.3
72.99317	7.0
73.02966	2.8
75.00883	17.3
81.92314	1.4
83.01402	3.9
85.02964	23.8
87.00880	6.4
88.17259	1.4
89.02444	9.6
93.03480	1.5
95.01402	3.8
96.96035	11.8
98.19871	1.3
98.95612	2.5
99.00893	9.8
101.02451	6.7
103.00371	1.5
107.01470	1.4
108.02172	1.9
113.02483	16.0
115.00381	1.8
117.01949	2.9
119.03528	3.4
121.02990	2.1
122.02411	1.5
125.02488	6.2
125.06111	1.4
125.09779	1.6
129.01959	1.7
135.04585	1.5
137.02481	1.4
147.04602	2.3
150.03198	2.3
152.01149	2.9
160.05321	2.5
161.04602	1.3
161.06096	2.8
163.04034	1.9
165.09247	3.7
167.03545	3.0
169.07794	1.4
175.02493	1.9
175.03995	1.4
175.07722	2.2
191.02011	3.4
201.11418	1.9
209.02992	1.5
209.08212	16.8
215.12839	1.5
249.06238	6.1
251.09332	1.8
255.06610	1.5
266.05850	1.8
267.06790	4.3
269.08289	3.2
281.08240	5.3
285.20633	1.9
355.24878	10.9
371.13693	1.4
373.26065	10.2
374.26239	2.3
397.78326	1.2
444.15973	3.5
447.18170	1.4
477.19208	13.6
478.19275	2.2
489.19376	15.4
490.19260	2.5
507.20389	10.6
508.20428	1.7
517.30566	2.2
519.20355	10.2
520.20563	1.6
535.31165	12.3
536.31458	2.7
537.33112	6.1
579.34064	3.0
609.83081	1.3
618.55042	1.5
675.79254	1.5
785.38306	100.0
786.26740	2.1
786.38885	22.6
809.77234	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
57.03447	5.1
58.00590	2.1
59.01385	31.2
60.95854	1.0
61.98831	1.5
67.01887	1.6
67.93961	0.9
68.99821	2.6
69.56876	6.7
71.01029	1.6
71.01395	29.3
72.99313	8.2
73.02946	4.8
75.00874	17.7
83.01389	2.9
85.02458	1.8
85.02959	27.7
87.00887	8.0
89.02456	10.6
95.01379	4.6
96.96024	5.5
98.02444	1.0
98.20687	1.3
99.00900	11.4
101.02451	8.1
103.00387	2.0
108.02202	10.7
109.02962	1.9
111.00837	1.7
113.01749	1.2
113.02469	19.5
115.00367	1.3
117.01907	2.0
119.03497	2.1
120.01201	1.2
122.02489	2.0
123.04507	3.7
125.02444	2.3
125.09698	1.4
125.90593	1.0
129.01903	1.9
135.11769	2.8
143.03609	1.1
144.65033	1.1
152.01172	19.1
153.01904	2.2
157.01402	1.1
161.04599	2.0
161.09709	3.0
166.38457	0.9
167.02180	1.5
167.03520	23.3
171.10281	3.3
174.03461	0.9
175.02472	2.8
178.03951	1.0
179.10782	9.0
191.02023	4.9
228.94543	1.1
231.05034	1.3
249.06186	11.8
262.82855	1.1
267.07193	4.7
355.24872	3.0
371.20700	3.3
372.09671	1.3
373.26028	8.4
399.70483	1.0
417.59238	1.1
455.15677	1.5
517.30206	1.3
535.23547	1.9
535.31207	17.3
536.31335	3.0
579.33624	1.7
605.20258	1.6
617.21210	1.8
623.21710	2.1
785.25214	16.7
785.38159	100.0
786.25250	5.1
786.38458	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
57.03460	4.1
58.00591	1.2
59.01384	26.5
62.00241	0.8
65.42205	0.9
68.60351	0.9
68.99837	1.3
69.03441	1.0
71.01016	1.7
71.01388	24.5
72.99306	8.1
73.02945	5.2
74.09349	0.8
75.00880	16.0
83.01399	3.0
85.02466	1.5
85.02961	24.0
87.00877	7.8
89.02441	5.4
95.01390	5.0
95.87028	0.9
96.96017	8.7
98.95594	2.1
99.00879	9.0
101.02429	5.4
103.00362	2.5
108.02191	7.6
109.02998	1.7
111.00838	1.1
113.02469	18.1
115.00356	1.6
117.01924	2.0
122.02491	4.2
123.04528	1.5
123.08137	0.9
125.02428	1.6
125.09753	1.3
129.01932	1.3
137.09656	0.8
149.09676	0.9
152.01184	12.6
153.02003	2.0
167.03499	10.4
171.10265	3.8
175.02521	2.2
177.01862	0.9
179.10760	3.6
190.50734	0.8
207.04950	0.8
245.14046	1.1
249.06145	8.6
267.07224	6.5
285.20758	1.1
355.24869	3.5
372.09744	1.5
373.09747	1.1
373.25885	9.9
417.10513	2.2
455.15439	1.7
517.30133	2.7
535.31268	20.2
536.31641	3.8
537.32574	1.2
579.33923	2.0
623.20563	3.8
624.20660	1.3
755.30408	1.1
785.25861	6.4
785.38177	100.0
786.26355	2.3
786.38635	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.1
56.21411	0.8
57.03459	5.2
59.01388	23.7
67.62852	0.8
68.37199	0.8
68.99830	2.1
69.03461	1.6
71.01391	28.5
71.54033	1.3
71.54434	1.2
72.01716	1.1
72.99340	7.2
73.02959	3.0
75.00880	19.5
78.95930	1.2
80.02703	2.0
83.01393	2.7
85.02964	35.2
86.03308	1.3
87.00886	9.8
89.02463	8.3
91.04024	1.3
95.01389	6.6
96.96027	10.4
96.96999	1.7
98.95596	1.9
99.00900	14.5
101.02473	3.2
103.00383	3.2
108.02188	45.1
109.02996	2.6
111.00940	1.3
111.18903	1.1
113.02462	37.1
115.00408	2.0
117.01944	2.7
122.02502	3.4
123.04535	14.1
125.02480	2.9
129.01958	4.0
133.10260	1.3
135.11830	4.5
140.26878	0.9
152.01176	79.3
153.01801	4.0
157.01479	1.5
161.04538	1.1
161.09764	5.7
163.04060	1.2
167.03526	100.0
168.03839	4.0
175.02530	3.2
177.01964	1.2
179.10808	20.5
180.11125	1.5
183.14049	0.9
183.29803	0.8
191.01933	1.8
195.82237	0.9
205.07214	4.5
207.05124	1.1
221.70993	0.8
229.06717	0.9
245.14101	2.6
246.14337	1.2
249.06114	11.6
267.07245	44.9
268.07510	2.3
285.20667	1.1
311.04144	0.8
357.26474	1.0
373.26181	1.9
411.16809	2.3
425.09625	1.0
437.45154	1.0
455.15555	8.7
473.16565	3.9
475.66446	0.9
535.31311	4.7
537.32690	1.3
579.33777	2.5
580.34058	1.4
605.21033	1.4
617.21057	6.6
618.22150	1.2
706.80353	1.0
785.25183	51.7
785.38403	22.3
786.25714	13.8
786.39075	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	785.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.6
59.01386	28.5
61.98824	6.3
68.99815	2.2
71.01396	19.1
72.99316	5.2
73.02971	5.0
75.00887	11.2
81.03486	2.3
83.01396	3.6
85.02958	27.0
87.00868	5.8
88.98839	3.6
89.02459	9.4
95.01395	3.2
96.96026	34.1
99.00882	6.6
101.02448	8.4
108.02145	5.4
109.03004	3.4
113.02462	15.1
119.03504	2.0
120.01247	3.3
121.02961	5.3
122.02486	2.9
123.00844	2.4
123.04508	2.8
125.02426	8.9
129.01953	3.9
135.04543	2.7
136.01677	2.1
137.02460	4.1
137.65546	1.8
145.03003	2.5
146.03761	2.8
147.04515	6.9
149.02451	3.7
149.64629	2.0
150.03244	4.8
152.01173	4.3
158.03716	4.2
159.04561	10.8
160.05322	17.9
161.02432	1.9
161.06073	14.5
163.00352	1.8
163.03981	7.6
164.04771	8.2
167.03517	6.4
173.06046	5.9
175.04037	3.3
175.07666	18.2
176.04816	1.8
177.02042	2.3
177.05585	12.1
178.06320	5.1
185.11877	2.3
191.01982	4.9
209.02939	2.5
229.30307	2.0
231.30153	2.1
238.06462	3.8
239.07231	2.8
249.06006	6.5
254.05902	8.1
255.06577	4.7
265.08609	3.1
266.05859	7.9
267.06699	21.8
269.08249	21.8
270.08835	5.9
281.08163	23.1
282.08902	6.5
284.10568	5.1
289.06534	2.2
296.10583	2.7
302.07922	3.5
314.07925	5.3
316.09595	6.5
328.09787	2.0
331.24878	2.0
339.37042	2.2
371.14960	2.3
373.25919	6.1
429.13153	3.9
432.15604	5.0
444.15717	7.6
447.18143	7.0
459.18558	9.9
474.16660	6.9
477.19247	79.3
478.19827	11.5
489.19250	100.0
490.19629	17.8
507.20319	72.2
508.20840	13.4
519.20331	52.2
520.20496	10.2
535.31403	6.1
537.21710	11.3
537.32666	7.0
579.33588	4.4
627.32147	2.2
741.39026	10.0
785.38513	50.1
786.37964	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	785.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.1
56.21411	0.8
57.03459	5.2
59.01388	23.7
67.62852	0.8
68.37199	0.8
68.99830	2.1
69.03461	1.6
71.01391	28.5
71.54033	1.3
71.54434	1.2
72.01716	1.1
72.99340	7.2
73.02959	3.0
75.00880	19.5
78.95930	1.2
80.02703	2.0
83.01393	2.7
85.02964	35.2
86.03308	1.3
87.00886	9.8
89.02463	8.3
91.04024	1.3
95.01389	6.6
96.96027	10.4
96.96999	1.7
98.95596	1.9
99.00900	14.5
101.02473	3.2
103.00383	3.2
108.02188	45.1
109.02996	2.6
111.00940	1.3
111.18903	1.1
113.02462	37.1
115.00408	2.0
117.01944	2.7
122.02502	3.4
123.04535	14.1
125.02480	2.9
129.01958	4.0
133.10260	1.3
135.11830	4.5
140.26878	0.9
152.01176	79.3
153.01801	4.0
157.01479	1.5
161.04538	1.1
161.09764	5.7
163.04060	1.2
167.03526	100.0
168.03839	4.0
175.02530	3.2
177.01964	1.2
179.10808	20.5
180.11125	1.5
183.14049	0.9
183.29803	0.8
191.01933	1.8
195.82237	0.9
205.07214	4.5
207.05124	1.1
221.70993	0.8
229.06717	0.9
245.14101	2.6
246.14337	1.2
249.06114	11.6
267.07245	44.9
268.07510	2.3
285.20667	1.1
311.04144	0.8
357.26474	1.0
373.26181	1.9
411.16809	2.3
425.09625	1.0
437.45154	1.0
455.15555	8.7
473.16565	3.9
475.66446	0.9
535.31311	4.7
537.32690	1.3
579.33777	2.5
580.34058	1.4
605.21033	1.4
617.21057	6.6
618.22150	1.2
706.80353	1.0
785.25183	51.7
785.38403	22.3
786.25714	13.8
786.39075	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	785.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.8
60.18320	0.5
61.98827	3.2
70.14786	0.8
70.15166	0.9
71.01393	1.2
71.01807	0.5
75.10765	0.5
78.95880	0.9
79.92696	0.5
89.02488	0.4
91.01900	1.0
96.96035	0.8
98.20582	0.7
108.90209	3.8
113.02446	0.6
121.02974	100.0
122.03325	4.2
136.01656	0.7
165.01898	2.7
165.12767	0.5
169.12355	0.7
171.10231	0.9
181.06602	1.7
191.03525	2.3
197.11848	5.0
207.10272	0.8
209.04573	65.4
209.11870	2.1
210.04887	3.6
218.47540	0.5
223.13406	1.4
225.05536	2.9
225.11403	0.8
225.15039	0.6
235.08250	0.9
253.09340	1.2
289.18243	0.9
293.21167	1.2
309.20816	1.5
313.07178	5.5
341.23392	0.8
343.24561	0.6
357.06247	1.9
401.08813	10.3
402.09363	0.9
417.09998	0.5
753.40845	1.6
785.17499	1.0
785.42914	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	784.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.5
61.98837	100.0
62.98524	0.1
71.01400	0.2
80.96527	0.2
83.05052	0.2
83.99518	0.1
92.83167	0.1
98.19939	0.2
163.11328	0.2
173.32689	0.1
197.88210	0.1
199.13469	0.1
207.10262	0.2
208.10715	0.2
209.11882	2.3
210.12199	0.7
225.11420	0.3
226.11763	0.2
227.12859	0.3
228.13327	0.1
236.76154	0.1
253.09303	0.2
277.21744	2.1
278.22083	1.7
279.22534	0.2
297.25806	0.1
784.43604	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.3
57.03454	10.3
59.01382	3.6
69.44950	3.7
70.57225	0.4
71.01393	1.0
75.36874	0.5
83.01398	1.4
84.02176	1.7
85.02959	86.4
86.03302	1.7
103.00396	1.5
109.02981	0.8
111.00865	0.6
119.05038	12.6
121.02978	0.7
125.02472	0.8
129.01955	5.9
133.02972	5.1
145.02954	0.6
147.02992	4.2
160.92616	0.5
163.00330	0.5
163.04027	16.7
164.04483	0.7
173.00940	4.6
175.04050	1.0
175.69563	0.5
191.01993	100.0
192.02365	3.2
193.01385	0.7
208.21727	0.5
231.06673	0.6
284.03250	3.0
285.03909	2.7
293.06726	1.3
297.04092	5.2
298.04742	3.2
299.05679	6.1
300.05988	0.6
311.05515	0.9
327.05127	32.9
328.05423	3.3
337.05667	29.9
338.06076	3.3
339.05142	0.9
357.01843	0.5
357.06210	8.5
358.06631	0.5
369.06189	1.2
397.23706	0.5
447.09357	28.7
448.09744	4.1
546.66748	0.5
583.89740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.4
59.43466	0.8
61.98828	5.1
71.01395	2.5
79.45335	0.8
80.02685	1.5
80.52573	0.8
81.03455	1.5
83.05044	3.8
85.02939	1.3
89.02486	1.8
101.02456	1.4
113.02515	0.9
161.04550	1.2
163.11345	2.9
165.12843	2.5
170.78197	0.9
209.11850	100.0
210.12209	6.3
227.12886	13.0
235.08252	3.5
253.09428	8.8
277.21756	77.8
278.22095	9.2
319.33420	0.8
426.53625	0.9
445.21051	1.1
459.44644	0.8
638.44946	1.0
788.22736	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.2
59.01385	0.9
59.63492	0.2
61.98838	100.0
69.40110	1.2
69.40517	0.4
71.01390	0.9
75.00874	0.2
78.95927	0.7
82.32290	0.2
85.02972	0.6
88.55765	0.2
89.02418	0.3
92.92838	0.2
94.84055	0.2
96.96029	4.2
96.96967	0.4
98.19848	0.4
101.02484	0.4
125.02505	0.4
152.99583	0.3
164.66623	0.2
167.03600	0.3
170.65376	0.2
177.01930	0.3
187.22849	0.2
207.10300	0.4
209.11884	0.5
225.11398	0.2
418.62354	0.2
683.75232	0.2
687.33026	0.5
784.39056	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.1
61.98836	63.3
71.01379	2.6
74.69772	0.4
80.02690	0.6
80.96526	1.5
81.03452	0.7
83.05026	3.9
85.02946	0.9
87.00901	0.8
89.02466	1.8
95.05049	0.9
96.96019	1.4
98.19788	1.0
101.02463	2.1
109.06561	0.5
113.02475	1.3
120.28396	0.5
127.45513	0.5
135.08191	0.8
141.09709	0.4
163.11296	3.0
164.98547	0.6
165.12863	1.7
181.12361	0.6
191.10809	0.6
207.10287	1.9
208.10655	1.0
209.11852	100.0
210.12189	6.9
225.11378	3.0
225.54150	0.4
226.11627	2.2
227.12920	10.8
229.07945	0.5
235.08253	2.0
253.09311	7.3
277.21741	56.9
278.22116	7.1
279.22714	0.9
295.23218	0.5
445.20917	2.4
446.20880	0.5
461.20120	0.8
462.20676	0.8
463.21088	0.8
630.68616	0.5
723.42395	1.8
783.41779	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	783.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
61.98836	15.0
68.35315	0.2
71.01402	0.4
74.01498	0.2
77.38415	0.2
79.95745	0.6
80.27423	0.2
80.96525	1.8
83.17801	0.2
85.42591	0.2
93.03466	1.0
94.98108	0.5
96.96047	0.4
98.19845	0.4
106.04283	0.6
117.03514	0.3
119.05038	100.0
120.05378	3.6
121.02946	0.5
126.33911	0.2
127.18213	0.2
130.04256	3.4
136.01672	0.4
136.99142	0.3
138.03226	0.4
143.05046	1.9
144.05774	0.8
145.02965	1.0
145.06602	2.9
148.99112	0.3
149.02443	0.3
150.03271	0.4
157.06604	2.0
158.07294	0.3
159.04536	1.1
159.05739	0.3
159.08170	2.5
160.05365	0.3
161.02454	1.1
161.06174	0.3
162.03247	0.6
164.98578	0.4
171.08102	0.6
173.06032	0.5
174.06790	0.2
185.06119	0.3
187.04015	1.4
187.11287	0.3
190.06444	0.9
201.05603	0.9
202.06372	0.7
207.10310	0.3
209.11862	1.2
223.07689	0.9
225.00783	0.7
227.14531	3.3
245.15536	0.3
267.06677	0.7
271.13409	21.9
272.13690	1.9
277.21729	2.2
279.06540	0.6
283.90173	0.3
285.14954	0.5
289.14474	14.5
290.14792	1.4
391.19174	99.4
392.19519	13.1
392.24741	0.5
421.93018	0.3
679.99756	0.3
783.41632	2.7
784.42072	0.6
792.04236	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	4.2
64.18447	2.1
69.51595	10.3
69.52002	5.0
70.61163	2.3
78.95971	2.9
98.20591	5.5
119.05035	91.5
120.05392	4.0
137.22173	2.6
209.11874	19.0
223.43954	2.3
237.09135	9.6
238.09503	5.8
257.17358	2.1
264.07504	2.4
267.06335	2.3
271.13458	16.7
276.10156	2.3
277.21777	8.4
289.14505	12.4
290.14835	3.8
353.75000	2.4
381.69574	2.8
391.14078	5.5
391.19144	100.0
392.19589	15.9
783.38019	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	783.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.6
61.98846	0.4
62.68623	0.3
65.00312	0.4
71.01345	0.8
71.01703	0.7
78.98598	0.7
79.95764	1.2
80.96529	6.4
88.79119	0.3
89.02451	0.4
89.03149	0.3
90.54629	0.3
91.01902	20.8
92.02235	0.6
93.03474	0.5
93.04458	0.3
94.98101	1.5
113.06803	0.3
119.05041	37.1
120.05371	1.7
130.04274	1.3
132.05820	8.0
133.06647	3.7
135.00902	27.6
136.01208	0.6
143.05040	0.9
145.06610	2.5
148.01662	0.4
150.03142	0.7
151.04025	0.4
153.01958	14.3
153.85393	0.3
156.93988	0.4
157.06610	0.7
159.08170	1.4
161.02484	0.6
164.04811	6.8
164.98622	0.9
169.12306	0.4
171.08231	0.8
185.11864	0.4
187.04027	0.4
187.11250	0.4
199.13329	1.7
209.11847	1.0
225.00673	2.0
225.11339	0.5
227.12631	0.9
227.14525	1.2
253.09213	0.5
255.06641	3.9
255.17557	32.8
256.07019	0.4
256.17987	3.9
267.06696	0.8
271.13446	8.5
272.13806	0.8
277.21744	5.4
278.22028	0.6
279.23315	1.2
289.14481	7.0
290.14813	0.6
359.20407	0.4
391.19180	100.0
392.19516	14.8
392.24707	0.4
442.69763	0.3
527.17303	0.3
527.31689	8.3
528.31946	1.9
652.56757	0.4
783.42163	8.3
784.42224	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	783.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03502	1.4
59.01394	8.0
62.60828	1.7
71.01382	7.1
71.54831	1.9
71.55188	2.0
72.99297	2.8
78.95913	3.4
82.38943	1.5
85.02956	11.3
87.00894	1.9
88.98818	1.6
89.02418	2.3
96.96031	12.7
98.95615	2.0
99.00929	3.0
108.02205	3.2
109.02989	2.9
113.02444	5.5
119.05032	10.8
125.02435	4.8
129.01930	1.6
133.02988	4.4
135.04512	2.9
136.01663	13.3
137.02431	4.8
147.04485	2.6
149.02411	3.6
150.03191	4.4
151.04050	20.7
156.34819	1.7
159.04483	2.5
161.02443	3.5
162.03098	2.0
163.04001	5.2
167.03447	2.7
172.05225	1.9
173.06126	1.8
175.03957	2.6
177.01955	3.4
187.04016	1.9
189.05582	3.5
190.06334	2.6
209.06378	1.7
253.05025	2.2
267.07074	4.5
269.04507	6.3
275.34094	1.6
279.06693	3.0
281.04507	7.1
281.07480	1.8
283.06085	2.0
284.06958	5.0
285.03992	10.8
296.06924	5.4
299.09183	5.7
305.08282	1.8
311.09180	5.2
336.10016	2.5
338.11749	1.8
339.12500	3.6
399.14511	1.8
442.14105	3.3
454.14285	2.3
457.16623	3.3
472.15341	3.0
475.17612	5.7
485.00534	2.0
487.13626	3.2
490.16507	3.3
502.16409	5.5
505.18781	52.3
506.19266	10.9
517.18701	100.0
518.18927	19.2
535.19659	8.2
762.34009	1.8
783.27148	3.3
783.39471	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	782.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.0
61.98838	100.0
69.20976	1.0
69.21400	1.0
71.01397	0.7
71.40910	0.2
73.02940	0.3
75.00891	0.9
76.21709	0.2
76.29649	0.2
84.57418	0.2
85.02978	0.4
87.00922	0.2
88.98833	0.8
89.02473	0.3
96.96023	2.1
98.20623	0.3
113.02455	0.4
125.02441	0.2
126.74376	0.2
162.47754	0.2
209.11896	0.4
209.26250	0.2
228.36884	0.2
346.73001	0.3
640.22198	0.2
783.41284	0.2
787.81830	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12912	0.1
59.01388	0.4
61.98837	100.0
62.98552	0.2
69.85966	0.1
70.47161	0.4
71.01413	0.2
73.23024	0.1
78.95941	0.2
80.96522	1.2
85.02965	0.2
90.16835	0.1
95.83723	0.1
98.77074	0.1
129.83156	0.1
143.81792	0.1
164.98576	0.2
171.04771	0.1
207.37457	0.1
209.11856	0.1
223.13383	1.0
224.13867	0.5
225.00832	0.3
225.11778	0.1
225.14008	0.3
277.21848	0.5
278.22095	0.7
279.22467	0.3
404.19983	0.2
782.41351	1.0
783.41589	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	15.4
61.98828	7.3
71.01385	6.6
71.54255	3.5
72.49117	2.6
83.05029	6.3
83.07407	2.8
85.02939	4.3
88.98830	14.0
89.02496	2.8
96.96030	15.4
101.02410	3.7
106.73366	2.5
125.02500	3.4
183.13928	6.5
199.68265	2.0
202.61559	2.1
209.11847	95.6
210.12190	4.9
210.15758	2.2
211.13416	100.0
211.97194	2.4
212.13663	6.6
227.12862	12.8
235.08226	3.1
237.51598	2.3
253.09258	8.1
297.08249	2.2
344.35043	2.1
445.20963	5.5
447.22430	9.2
504.99371	2.0
591.37622	3.4
689.65564	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	781.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.5
55.62299	0.4
57.03433	0.6
59.01384	11.0
68.99573	0.6
69.72013	0.4
71.01385	3.1
71.01775	0.7
73.02959	0.9
74.62421	0.4
78.25812	0.4
81.03444	0.8
82.73527	0.4
83.01389	0.5
85.02950	0.7
87.00890	1.0
89.02469	0.9
97.02954	3.5
97.06612	0.7
99.00884	7.5
101.02460	1.8
109.06621	0.7
110.03747	0.8
113.02465	1.2
123.08173	0.4
125.02426	0.8
125.09740	2.5
135.08105	0.6
136.05316	0.8
142.02701	1.2
161.04597	0.9
163.11314	4.0
181.12346	8.7
182.12650	0.5
197.11763	0.5
207.10278	28.1
208.10661	1.6
225.11336	58.9
226.11658	3.9
235.08252	3.3
243.12384	6.2
244.12595	0.5
253.09380	3.5
277.21741	100.0
278.22049	10.4
278.24951	0.7
443.19269	4.8
444.19553	0.5
461.20352	6.7
462.20624	1.4
513.30487	0.7
577.37720	0.6
668.80029	0.5
721.41730	20.0
722.42316	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.4
57.03458	6.7
59.01378	10.1
70.76889	1.2
71.01393	22.1
71.53714	1.2
72.99319	8.5
75.00888	2.9
83.01395	2.7
84.02156	3.4
85.02959	65.9
87.00901	3.0
88.88882	1.2
89.02460	4.7
90.97152	3.9
107.05540	1.2
110.31463	1.2
111.00885	1.6
116.98737	2.4
118.96639	12.0
128.98694	2.1
129.01976	1.9
130.96683	1.8
133.01459	5.0
133.02946	2.1
133.95403	1.4
135.04564	11.4
140.98723	5.3
142.96634	2.5
144.98204	3.5
146.96175	3.2
147.03020	4.3
148.97734	1.8
156.97974	1.9
156.99178	12.9
161.02467	5.3
168.98170	1.7
179.03519	6.0
182.99789	9.0
184.97675	1.7
186.99153	1.2
191.00284	5.3
191.01993	21.5
196.97731	3.6
205.98824	1.2
207.96707	1.5
209.01373	3.8
209.03040	100.0
210.03387	5.1
216.98318	8.8
217.00121	2.2
218.99843	3.2
222.99310	1.9
228.97647	10.1
230.98210	2.2
231.01251	1.6
234.99236	22.6
246.98618	23.3
248.97188	18.0
249.97813	1.6
259.03012	3.9
261.00845	2.7
262.98904	1.5
272.96674	2.0
277.00296	20.0
285.00800	5.2
288.98804	16.8
290.98267	1.7
302.96838	7.1
303.01886	6.5
315.00330	3.1
328.99841	5.3
371.06287	10.2
390.99896	11.8
409.01462	32.4
410.01947	3.4
420.99500	13.7
439.00488	6.8
457.02115	2.0
464.99744	4.0
466.00021	1.6
539.03839	2.1
571.04480	3.5
583.02570	30.1
584.03479	3.7
601.03564	14.8
602.04211	3.1
619.04590	6.3
699.10205	1.4
745.05334	10.6
746.06714	3.2
763.07391	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	779.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	9.3
62.00452	0.6
69.53331	3.8
71.01388	1.4
73.13525	0.6
81.03461	1.4
83.01395	0.5
85.02955	0.6
93.39627	0.7
96.96012	1.6
99.08167	1.0
101.02437	0.7
123.08164	1.3
125.02488	3.2
125.06085	2.4
150.03226	0.7
151.00374	0.6
165.09224	14.5
166.09625	1.0
191.07181	1.1
196.94460	0.6
206.32219	0.5
209.08224	100.0
210.08549	6.8
251.09280	0.6
321.19098	0.8
363.20514	1.1
371.13510	33.1
372.13791	4.0
407.11176	2.2
716.20447	0.6
750.57635	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	23.9
61.83200	0.9
61.98842	1.2
69.03463	1.5
69.62400	5.4
71.01396	3.9
78.95896	1.2
85.02954	1.2
89.02446	2.2
101.02460	4.3
103.29600	0.7
109.85850	0.9
113.02463	2.2
147.76627	0.9
161.04515	2.0
164.44951	0.9
167.10767	2.3
179.05533	1.0
179.14415	2.2
195.13889	8.9
205.12361	11.4
223.13403	100.0
224.13809	8.4
235.08252	5.0
244.94556	0.9
253.09302	8.1
266.53329	0.9
277.21735	90.4
278.22153	8.0
441.21307	3.1
459.22369	13.9
460.22937	1.8
513.30859	1.2
574.63184	0.9
719.44012	1.9
720.45325	1.4
779.39294	2.3
798.16187	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5335
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56488	0.2
61.98838	100.0
62.98542	0.2
70.47236	0.4
93.50527	0.2
141.57153	0.2
175.00294	0.2
274.31534	0.2
286.13092	0.2
416.58417	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02399	0.4
63.93781	0.2
65.00336	1.5
66.58646	0.2
69.65565	0.5
69.65978	0.9
82.89139	0.2
83.01415	0.6
91.01910	3.0
96.96014	0.7
98.19949	0.2
105.03481	0.5
107.01412	2.3
109.02975	1.9
121.02954	0.7
125.02421	0.3
132.02252	0.3
133.02963	12.2
134.03325	0.4
135.00905	8.4
149.02438	2.1
151.00368	4.7
152.00630	0.3
153.01958	5.4
171.04411	0.3
175.04005	2.8
176.04372	0.3
177.01944	0.4
197.06146	0.3
198.03189	0.3
199.04025	2.3
201.01950	0.8
213.05626	0.6
215.03574	0.3
217.04997	1.2
223.04010	0.3
241.05026	1.2
243.02989	0.7
257.04559	0.4
267.02911	0.4
272.13010	0.2
285.04062	100.0
286.04388	9.3
321.62329	0.2
339.07227	10.4
340.07578	0.9
358.17023	0.2
698.87250	0.2
754.05273	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
62.98561	0.2
71.54296	0.1
71.54692	0.2
71.98691	0.2
91.01907	2.8
103.34331	0.2
119.05051	0.2
132.05859	1.5
133.06638	0.3
135.00902	4.6
136.01302	0.2
153.01955	2.2
164.04774	1.1
187.11317	3.5
187.12880	0.2
188.11697	0.3
201.11375	0.5
209.11853	0.4
215.19952	0.2
235.08395	0.3
243.11560	0.2
255.17586	2.5
256.18057	0.3
277.21701	1.5
278.22147	0.6
323.12912	5.2
324.13223	0.7
391.19180	7.1
392.19666	0.9
499.56317	0.2
514.31519	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	775.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01751	19.1
62.12490	21.2
62.44041	18.5
69.32603	57.5
69.33027	100.0
211.13469	48.4
249.07005	21.5
277.21780	34.7
587.26740	20.9
653.23206	22.5
748.27777	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	775.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46359	0.2
69.46780	0.4
71.90160	0.1
75.77448	0.1
78.95914	1.9
79.95747	3.0
85.02954	0.2
96.96022	100.0
96.96897	2.5
97.95937	0.4
105.82631	0.1
109.78840	0.1
150.47018	0.1
188.79376	0.1
204.49673	0.1
227.28606	0.1
294.04529	0.1
378.31796	0.1
404.23880	0.1
435.63925	0.1
445.83890	0.1
661.79456	0.1
775.47540	0.2
776.48987	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	1.9
62.96109	0.4
63.62527	0.4
69.17440	0.4
71.01387	0.5
71.53884	0.7
77.39091	0.4
78.95921	3.3
79.95741	3.1
94.92458	0.5
96.96024	100.0
96.97015	2.8
97.90805	0.5
99.80560	0.5
101.28794	0.4
145.42052	0.4
209.11818	5.2
211.13324	0.8
212.24199	0.4
215.89467	0.4
222.94627	0.4
227.12921	1.9
253.09355	1.1
291.23676	0.4
293.21246	2.7
369.13751	1.0
453.09521	0.7
715.32233	0.7
775.41766	1.8
776.41803	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75500	4.0
61.98837	5.9
66.15672	4.1
70.94209	5.5
70.94533	7.5
78.95914	9.2
91.42603	4.1
96.96013	8.7
101.02486	5.8
101.44486	4.0
142.26115	4.2
152.99585	5.0
209.11847	73.6
210.12340	4.4
221.75642	4.1
227.12917	21.1
233.50600	4.1
235.08484	4.3
253.09424	23.8
275.20206	7.3
293.21265	100.0
294.21414	10.7
775.40613	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	2.9
61.98837	9.1
63.46783	2.7
69.22422	29.3
71.01389	3.7
78.95918	17.3
93.02005	2.7
96.96006	14.1
125.00198	2.8
127.93285	3.2
152.99559	5.8
169.12346	11.4
179.05287	3.2
209.11832	100.0
210.12218	8.5
227.12936	26.1
235.08278	8.0
253.09384	14.0
277.06625	2.8
293.21283	48.2
294.21454	5.0
445.20889	8.8
739.39032	13.1
740.39697	6.7
740.87183	3.4
775.41168	32.0
776.42072	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	775.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.9
61.98837	3.5
64.20090	2.4
70.85670	7.2
71.01406	3.8
75.13534	2.4
80.46788	2.6
83.05019	2.6
89.02425	3.1
96.19942	2.4
102.37730	2.7
109.06616	5.6
135.00945	2.6
161.04590	2.8
163.11298	4.7
171.10260	23.8
187.11281	3.3
198.46660	2.8
199.09787	32.2
201.11357	9.3
207.10280	42.2
225.11336	43.5
235.08170	7.7
251.34215	2.7
253.09306	16.7
277.21756	100.0
278.22144	9.6
295.10199	2.9
323.13129	3.4
329.22870	3.4
360.99704	3.0
435.18756	7.9
443.19321	11.9
461.20392	17.2
596.31598	3.0
695.40161	40.9
696.40485	10.5
703.41119	3.2
721.41876	38.8
722.41937	14.6
775.41223	11.0
776.41187	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	775.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42666	0.5
59.01389	38.6
59.59563	0.5
61.68281	0.5
71.01392	9.5
71.26283	0.5
71.54972	0.6
72.99315	0.9
73.02946	0.9
73.23424	0.5
73.53537	0.5
74.49351	0.5
83.01384	0.7
85.02975	3.6
89.02454	5.8
95.01376	0.9
101.02453	6.3
113.02451	3.3
119.03539	3.4
131.03474	0.7
150.14743	0.5
163.11319	3.1
167.68932	0.6
191.02032	0.7
207.10272	6.4
362.12000	0.5
387.16641	100.0
388.16998	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	775.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	0.2
70.54755	0.3
70.55120	0.3
71.01385	0.2
75.91128	0.2
78.95914	2.5
79.95747	3.6
80.82004	0.1
94.80924	0.2
94.92509	0.3
96.96023	100.0
96.97012	2.5
97.95946	0.4
204.24953	0.2
211.13376	0.5
235.37210	0.2
236.97978	0.2
301.71097	0.2
309.20496	0.2
397.13586	0.2
435.08292	0.3
453.09305	0.5
508.35461	0.2
715.32166	0.5
775.40356	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.353
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97755	2.6
59.01390	12.4
61.98843	5.5
63.88517	2.7
71.01383	15.7
73.02942	4.3
82.02990	4.8
82.95423	7.0
83.05042	3.7
85.02956	9.2
85.04079	24.6
87.00842	3.5
87.05628	5.5
88.04061	5.3
89.02492	3.6
96.96032	24.5
101.02434	3.2
102.00189	2.9
113.02457	3.0
113.03626	3.1
117.21420	2.6
119.02801	3.1
125.02466	7.4
125.65210	3.0
127.05151	8.2
128.03548	56.3
129.03900	5.5
135.05588	2.9
137.02457	3.5
150.03197	3.5
152.08321	3.8
157.06203	25.8
158.06546	8.0
165.35347	2.4
171.10280	56.8
172.10634	4.6
174.02284	8.0
179.04630	3.4
180.04659	2.8
181.12479	3.0
196.07292	9.3
201.11314	7.6
207.10313	8.5
209.11838	100.0
210.12152	6.0
212.38031	3.1
225.11310	25.0
227.12904	20.2
235.08278	8.6
244.50835	2.4
253.09282	10.6
268.09366	5.2
286.10498	9.0
287.10687	3.5
320.09235	71.8
321.09430	35.5
322.09128	8.4
407.19113	8.4
443.19424	4.3
445.21027	5.6
446.20963	3.3
461.20316	7.8
612.29974	4.6
613.30127	9.2
653.31726	5.2
671.32971	9.8
681.82031	3.8
757.34143	11.4
775.35254	10.3
776.36664	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	775.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	36.9
66.17393	0.6
68.03384	0.5
69.18010	4.5
69.18423	1.4
71.01389	7.8
73.02944	0.9
85.02966	2.7
89.02462	6.9
89.68096	0.5
95.01418	1.0
98.19959	1.3
101.02466	6.3
103.48232	0.7
113.02455	3.4
119.02762	0.5
119.03500	2.9
147.70181	0.6
163.11267	4.7
191.02029	0.8
201.56937	0.6
207.10307	7.4
227.16522	0.6
387.16635	100.0
388.16959	9.9
548.99408	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.5
57.03457	1.0
59.01385	5.9
61.98840	1.3
69.03477	1.0
70.94941	0.4
70.95259	0.4
71.01391	6.6
73.02958	1.0
78.95903	0.5
79.95721	0.6
80.02701	0.9
81.03452	1.0
82.95422	0.5
83.01400	1.3
83.05029	4.6
84.02168	0.6
85.02956	5.8
87.00871	1.5
89.02457	2.9
90.02812	0.3
95.01415	0.5
95.05032	1.1
96.96019	14.8
96.97002	0.8
97.02953	1.3
97.06606	2.1
98.95635	0.4
101.02456	4.6
109.06615	1.3
112.68760	0.4
113.02456	2.6
116.92891	1.5
119.03491	1.1
125.02406	0.7
125.06008	0.4
125.09763	0.9
127.11300	0.7
135.08167	0.9
137.09750	0.9
143.03525	0.7
145.05077	1.0
155.10753	1.1
161.04558	2.3
161.91978	0.3
163.11314	4.1
165.12830	2.5
167.14476	0.5
170.31926	0.4
171.10286	14.8
172.10606	0.6
177.12811	0.6
179.05611	0.9
181.12329	1.1
183.13925	2.4
185.11844	0.8
191.10771	1.2
193.12300	0.5
199.13440	0.6
201.11320	0.8
207.10274	2.2
209.11842	100.0
210.12180	6.8
211.13416	10.2
212.13577	0.5
221.11902	1.7
223.09659	0.5
225.11429	2.1
227.12912	13.6
228.13185	0.6
229.14449	6.5
230.14737	0.6
235.08241	6.3
236.08594	0.5
239.12863	1.3
249.46292	0.3
253.09305	20.1
254.09587	0.9
291.19757	3.6
309.20770	7.7
310.21005	0.5
325.20407	0.3
327.21783	62.6
328.22150	6.7
342.94809	0.4
445.20865	1.8
463.21484	0.5
490.85675	0.4
519.33179	0.8
534.21655	0.4
545.29761	1.0
563.30536	2.5
564.30872	0.4
760.64447	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	26.1
61.98843	42.3
63.24251	19.1
70.94519	47.7
71.01389	43.8
72.30250	19.0
78.95926	83.1
88.98832	19.7
96.96052	63.0
99.00900	22.0
108.96199	19.0
123.04538	19.1
125.02518	24.3
130.94971	22.6
151.11354	20.9
152.99667	33.4
169.12338	100.0
171.10326	33.0
207.10255	53.2
209.12030	38.4
213.11360	28.9
225.11406	71.0
281.39438	22.6
291.19778	47.1
293.21243	81.0
426.50705	21.1
773.39624	84.3
774.39795	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.9
61.98838	13.2
69.48711	21.9
71.01395	11.9
78.95918	13.6
93.91190	3.7
96.96021	78.1
99.49222	3.9
101.02479	4.2
104.86039	5.0
109.60783	4.2
126.29312	4.0
151.11273	5.3
152.99583	6.7
169.12360	17.0
171.10304	6.1
202.42384	4.7
207.10298	5.2
209.11842	100.0
210.12215	8.4
211.13412	5.2
221.54581	4.5
225.11388	4.8
227.12996	23.3
227.15746	4.3
228.13217	4.8
235.08263	8.0
244.07489	4.3
253.09358	16.4
255.04752	4.1
291.19678	72.6
292.19962	6.2
293.21310	9.5
294.21515	7.8
304.84387	4.8
310.66693	4.1
373.61081	4.4
445.20908	10.5
657.31696	5.9
719.40625	6.2
773.40778	13.1
774.40875	5.0
799.81860	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	773.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	40.5
66.73811	2.6
71.01389	12.8
71.46130	4.5
71.46478	4.1
83.78691	2.6
85.02965	12.7
89.02458	9.6
99.25145	2.7
101.02462	8.7
106.88745	2.6
113.02460	7.7
134.03737	2.9
137.02480	2.9
140.07201	7.9
149.02507	5.0
149.06111	3.3
163.04187	2.7
163.11334	3.9
164.04701	4.1
193.01451	3.2
193.05142	6.5
207.10318	6.9
208.03745	4.5
223.06258	18.1
224.06509	9.2
225.06644	3.0
228.97897	2.9
387.16647	100.0
388.17090	9.8
571.72369	3.0
596.40894	3.0
694.25836	3.3
720.58075	3.2
773.34973	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	773.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
60.37272	4.8
61.98807	5.2
70.96849	10.3
70.97196	7.3
75.74001	4.2
75.89459	4.2
81.62136	5.3
83.09444	4.6
86.55854	4.5
93.21773	4.5
96.96034	34.7
101.02475	5.1
184.65782	5.1
209.11862	100.0
227.12900	20.9
230.87589	4.5
238.89407	5.4
295.00439	5.2
332.36023	4.7
445.20721	6.1
509.88214	4.7
641.76569	5.5
773.37543	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	773.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.2
61.98827	0.3
69.36350	0.9
71.01388	0.4
78.95908	2.8
79.95743	3.5
93.25512	0.1
94.92504	0.3
96.96021	100.0
96.96899	3.0
97.95957	0.4
116.58010	0.1
147.39270	0.1
148.32524	0.1
169.12352	0.2
171.10269	0.2
172.63922	0.1
207.10225	0.2
209.11855	0.5
210.12201	0.1
211.13173	0.2
224.06444	0.1
225.11519	0.1
293.21274	0.3
337.49304	0.1
397.13565	0.1
435.08203	0.4
453.09427	0.4
455.36151	0.1
498.18408	0.1
713.31171	0.5
714.31201	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.0
57.03460	14.5
59.01381	7.0
59.66928	2.0
71.01403	8.7
83.01379	3.6
84.02186	3.9
85.02962	100.0
86.03287	2.6
103.00327	1.9
108.02190	18.6
109.02953	7.3
119.05014	2.0
125.02469	3.1
126.34296	1.8
126.35246	1.8
129.01949	4.8
133.01433	1.9
147.03055	12.7
152.01178	43.1
163.04050	3.3
177.06026	1.9
191.02011	52.8
192.02345	4.2
209.03062	42.4
210.03384	2.6
241.07239	2.6
250.42227	2.1
355.06763	17.5
356.07022	2.6
417.10416	77.3
418.10641	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.328
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	0.2
78.95911	3.2
79.95748	3.6
96.96022	100.0
96.96905	3.6
97.95958	0.4
143.35551	0.1
143.94354	0.1
165.43248	0.1
171.10300	0.1
209.11771	0.1
225.11481	0.1
253.20316	0.1
344.75644	0.1
412.87433	0.1
435.08249	0.1
453.09503	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98859	1.8
57.29066	1.8
59.01396	9.7
61.98853	3.2
69.44350	14.6
71.01400	10.7
78.95908	5.2
83.05066	4.5
85.02977	2.4
87.00887	3.0
89.02459	3.0
94.92538	11.8
94.98098	1.8
95.05036	1.8
96.96021	8.5
101.02435	3.8
103.03172	1.9
109.06619	4.4
113.02470	3.4
116.91125	1.9
125.02470	2.8
133.34950	2.1
148.14795	2.2
163.11319	6.6
165.01735	2.0
167.19841	2.1
169.12257	2.8
171.10355	10.0
180.89099	1.8
195.13936	4.8
197.11844	3.5
201.11380	3.2
207.10283	7.5
209.11855	100.0
210.12134	5.0
211.13380	4.5
223.13486	4.6
225.11310	11.0
227.12996	11.0
235.08142	3.5
253.09340	19.3
259.03851	2.2
275.20264	5.7
289.75409	2.3
291.19778	5.1
293.21280	62.9
294.21567	5.5
307.19189	2.1
309.20874	4.6
325.23807	2.1
327.21915	6.0
394.70569	2.4
444.54065	2.1
445.20544	2.9
461.20105	4.1
468.64902	2.0
771.42419	3.9
772.42261	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	771.418
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32890	0.3
55.01883	0.4
57.01917	0.3
57.03450	0.6
58.00611	0.3
59.01387	5.1
61.98837	2.5
65.87334	0.3
68.32845	0.3
69.03475	0.3
70.95268	0.7
71.01388	4.3
71.04997	0.7
73.02945	1.1
80.02661	1.7
81.03462	1.4
82.95438	0.6
83.01392	0.7
83.05033	5.1
84.02164	0.8
84.05289	0.3
85.02956	1.5
85.05958	0.3
86.94939	0.3
87.00900	1.3
88.22320	0.3
89.02453	1.8
94.92529	0.6
95.01399	0.3
95.04332	0.3
95.05034	1.4
96.95393	0.4
96.96021	7.2
97.02966	0.7
97.06606	0.9
98.95583	0.3
99.00883	0.5
99.04511	0.5
99.08098	0.3
101.02452	3.9
101.43008	0.3
107.05030	0.5
108.02238	0.3
109.06606	1.3
111.08179	0.5
112.05273	0.3
113.02475	2.1
115.07687	0.4
119.03523	0.6
122.03821	0.4
123.04594	0.4
123.08193	0.5
125.02396	0.5
125.06105	1.0
125.09770	2.2
127.07675	1.3
127.11269	0.4
135.08185	1.5
137.02417	0.4
139.07674	0.4
141.09247	0.8
143.03529	0.3
145.05119	0.5
151.11308	0.5
153.09235	5.6
155.10788	0.5
161.04572	1.4
163.11317	4.8
164.11713	0.3
165.12894	3.0
167.03519	0.4
171.10295	16.4
172.10579	0.4
178.10005	0.7
179.05545	0.5
179.10733	0.3
181.12386	1.1
183.13852	0.4
185.11855	2.9
187.97690	0.3
191.10841	2.1
193.12292	0.5
197.11848	2.9
201.11288	0.7
207.10275	1.9
209.11859	100.0
210.12195	7.7
211.13417	1.2
221.11880	0.6
223.13258	0.4
225.11380	1.6
226.11804	0.4
227.12923	12.6
228.13245	0.9
229.14539	0.4
235.08286	3.7
237.11432	0.5
238.12056	1.0
245.19090	1.5
253.09323	8.8
254.09576	0.5
263.20154	0.5
279.19556	0.6
289.18170	5.6
290.18488	0.7
291.19662	0.5
297.20715	0.5
307.19168	26.4
308.19479	2.8
309.20755	1.0
317.21393	0.3
325.20215	13.5
326.20541	1.6
327.21835	1.0
345.20743	1.2
363.21664	1.1
407.19269	0.6
445.20947	0.8
461.20044	0.4
474.21518	0.4
501.36142	0.3
502.78314	0.4
517.31592	0.4
525.27106	1.4
526.78656	0.4
541.01801	0.4
543.28180	6.1
544.28778	0.8
561.29346	1.4
629.32672	0.4
684.33569	1.5
735.39380	2.8
736.40442	0.9
753.40521	4.1
754.41425	1.2
771.42090	2.2
772.42743	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.8
57.03444	3.6
59.01388	17.2
61.98845	1.4
68.99847	1.0
70.00508	2.2
70.00903	2.2
71.01392	18.4
72.99328	5.2
73.02961	2.3
75.00888	11.5
76.74227	0.9
79.95744	1.0
80.96540	1.0
83.01389	1.7
85.02963	18.5
87.00893	4.2
88.98836	1.1
89.02456	3.7
95.01398	3.4
96.96020	8.0
99.00895	8.4
101.02462	4.0
103.00392	1.4
111.00883	1.4
113.02477	12.5
115.00367	1.9
117.01940	2.0
129.01968	2.4
141.02881	1.0
174.32712	1.1
175.02420	1.2
191.01997	1.6
194.80042	1.0
231.04999	1.1
240.09219	1.0
249.06216	5.3
263.91241	0.9
285.04077	7.6
286.04446	1.2
313.23877	3.0
341.27045	1.5
359.27994	18.9
360.28339	1.7
453.12573	1.1
502.89508	1.0
503.32324	1.7
521.33295	22.8
521.40479	1.6
522.33740	4.3
667.39471	1.6
753.39447	1.1
771.40350	100.0
772.40564	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51965	16.9
58.50060	18.3
59.01380	28.9
60.01897	16.1
61.98834	98.1
71.01388	100.0
71.54272	28.7
72.99321	21.5
73.83942	16.8
75.00888	34.8
78.95915	76.2
87.00875	17.7
101.64355	20.9
113.02476	18.7
145.71832	17.2
152.99570	31.3
171.10289	61.7
197.11850	26.8
201.11378	31.7
207.10347	22.9
209.11858	31.9
213.11330	22.3
223.13460	56.1
225.11287	31.4
234.30373	17.6
253.09354	29.6
277.21786	55.7
293.21265	75.8
309.20602	22.3
735.40051	32.8
771.41638	83.3
772.42181	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.4
61.98834	1.0
71.01376	0.2
71.55022	0.1
73.97436	0.1
76.22791	0.1
78.95911	2.4
79.95748	3.7
85.02950	0.2
85.09140	0.1
89.02454	0.1
96.96024	100.0
96.96903	3.2
97.95953	0.4
98.95575	0.1
101.02448	0.2
113.02476	0.1
125.02449	0.1
130.82327	0.1
151.00217	0.1
205.84589	0.1
208.51764	0.1
209.11853	0.7
210.12350	0.1
214.71143	0.1
227.12984	0.1
253.09270	0.2
265.07675	0.3
291.04044	0.1
333.05017	0.1
405.88251	0.1
433.33981	0.1
448.27856	0.1
451.18448	0.1
457.19196	0.1
483.15613	0.1
551.47198	0.1
667.37158	0.1
715.42371	0.1
771.33258	0.2
801.74023	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	771.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.03462	0.5
58.00607	0.5
59.01386	100.0
60.01723	1.5
69.03478	0.4
69.22658	3.2
69.22997	0.6
71.01389	12.2
72.99300	0.5
73.02956	4.2
75.00881	0.8
83.01407	1.6
85.02958	6.5
85.56040	0.3
87.00929	0.4
89.02460	3.5
95.01414	1.0
96.51313	0.4
98.19858	0.6
99.00890	2.4
101.02456	8.9
113.02471	5.0
125.02477	0.4
129.01956	0.7
131.03511	0.5
131.52608	0.3
143.03516	0.6
149.04552	2.8
156.13004	0.3
159.03065	1.3
161.04587	4.4
165.04083	0.6
172.78300	0.3
191.02008	1.1
193.05136	0.3
206.96483	0.4
209.03116	0.6
222.37595	0.3
269.10330	11.2
270.10913	0.6
299.02200	0.5
300.02814	1.1
311.11414	5.9
312.11813	0.5
355.10306	0.4
415.16095	2.3
437.39368	0.3
439.34198	0.3
447.09235	0.5
771.21741	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	771.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.9
65.00334	1.4
67.56852	0.6
69.28109	5.3
69.88933	0.7
71.01380	0.8
75.86387	0.6
83.01372	0.9
85.02962	2.7
105.61423	0.6
107.01411	1.8
109.02992	1.9
121.02950	1.4
125.02451	1.9
133.02998	1.0
151.00407	9.3
163.00420	0.8
171.04533	1.4
175.00401	1.8
177.01930	0.9
178.99960	2.1
187.04094	0.9
191.02077	1.8
199.04015	3.7
201.01912	0.8
209.03017	1.4
211.04056	0.9
215.03546	1.9
221.75006	0.7
226.02605	0.8
227.03593	4.0
230.91226	0.7
243.02948	5.2
255.02997	5.6
271.02512	64.0
272.02856	4.8
296.03171	0.7
297.03958	0.8
299.02005	100.0
300.02679	33.1
301.03531	42.3
302.03793	3.4
302.86703	0.7
327.05219	1.6
330.49612	0.7
343.04575	0.8
361.16763	1.0
462.08096	12.7
463.08710	6.8
464.09018	0.8
593.12762	0.6
609.14624	45.2
610.14868	7.3
633.92438	0.7
651.16113	0.9
771.19971	66.1
772.20428	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	771.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22711	1.5
57.03455	9.3
59.01372	5.2
65.15387	1.2
68.51097	1.3
71.01378	5.3
71.54173	1.4
72.99313	1.9
83.01359	1.5
83.86418	1.3
84.02172	2.4
84.81304	1.4
85.02962	70.4
86.03271	1.4
93.03447	1.3
109.02975	3.7
111.00921	1.6
116.21400	1.4
119.05021	4.2
125.02430	4.1
129.01898	3.9
133.02940	10.1
134.03696	3.9
135.04556	2.1
141.49570	1.4
147.03004	7.5
151.04115	1.4
159.04462	1.9
163.04010	2.0
175.03975	2.1
177.01900	6.5
177.05547	1.6
179.03514	2.8
185.33493	1.6
191.02002	42.0
193.05118	1.5
201.02017	1.7
203.03510	2.0
209.03067	10.8
223.04424	1.9
226.12149	1.5
283.06165	4.0
284.06757	2.1
285.04169	2.0
289.07248	3.9
297.04086	2.9
298.04797	9.8
299.05597	10.9
311.05606	13.7
312.06406	47.2
313.06985	9.7
323.05762	1.9
327.04999	8.3
339.05130	16.4
341.06561	4.4
344.05292	4.3
353.06784	3.8
355.04593	3.5
357.05902	1.9
360.20929	1.8
369.06186	41.5
370.06534	6.5
371.07605	2.0
381.06097	3.6
385.08023	6.9
399.07224	32.3
400.07687	3.1
411.07095	6.0
429.08298	5.8
471.09354	3.0
489.10370	12.2
519.11493	2.5
531.11639	9.1
561.12494	3.1
609.14728	27.1
610.14966	6.1
651.15607	22.4
652.15771	2.9
681.16498	3.5
733.57330	1.7
771.19940	100.0
772.20197	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	771.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43132	0.7
57.03443	1.0
59.01374	1.8
65.00335	1.3
67.16210	0.7
71.01388	0.8
71.54346	1.0
83.01409	0.9
85.02971	4.8
89.60899	0.7
107.01411	3.4
109.02974	1.5
121.02952	1.1
125.02470	2.1
133.02916	0.8
135.00977	0.7
139.04036	1.1
151.00371	8.2
163.00392	1.0
175.00337	1.9
177.01894	1.5
178.99838	2.4
187.04045	1.3
191.01993	2.1
199.03987	3.3
209.02930	2.1
215.03514	1.5
226.02663	1.3
227.03365	2.9
243.03024	5.6
255.02998	4.2
269.94321	0.9
271.02496	59.7
272.02847	5.9
285.03778	0.9
299.02008	100.0
300.02673	35.1
301.03534	44.5
302.03842	3.7
313.03528	1.2
327.05130	1.7
343.04498	1.4
361.16653	3.4
362.80472	1.0
462.08090	13.3
463.08972	7.4
609.14661	42.3
610.14734	7.3
714.67670	0.8
771.19977	64.8
772.20239	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	771.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.3
55.42484	0.9
57.03458	11.2
59.01101	0.9
59.01382	4.6
71.01393	1.5
74.97049	1.1
75.00895	0.9
75.68461	1.1
77.81896	1.1
83.01399	1.3
84.02172	1.7
85.02962	100.0
86.03302	2.2
95.92557	1.0
111.00902	2.1
115.86848	1.2
122.40034	1.0
129.01987	6.1
133.01434	1.4
134.03731	3.9
147.03017	9.8
148.20328	1.1
188.20201	1.0
191.01996	62.4
192.02403	1.3
193.05096	1.7
205.07240	1.1
209.03041	15.3
210.03305	1.1
210.87981	1.0
223.04645	7.6
367.06784	1.9
385.07770	22.8
386.08038	2.7
584.76349	1.1
727.44977	1.2
736.79993	1.4
757.03864	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.5
59.01390	2.1
63.02404	1.4
65.00341	2.5
70.57235	1.9
71.01393	2.0
72.67660	0.8
77.40865	0.8
80.10547	0.8
83.01395	2.2
85.02956	5.9
87.00895	1.4
88.47546	0.9
91.01945	0.9
92.25163	0.8
107.01399	5.9
108.02200	1.0
109.02970	1.1
113.02490	1.2
121.02981	4.9
125.02504	1.1
135.00902	1.2
147.04524	1.4
147.29890	0.8
151.00401	22.6
163.00403	1.2
164.07210	3.1
167.03592	0.7
169.01370	0.9
171.04570	0.8
178.99875	10.9
180.00423	0.9
191.02031	2.0
206.08214	3.3
209.03157	1.0
227.03552	2.5
229.09720	1.0
241.09904	1.1
243.03008	8.0
244.03532	1.2
245.04729	0.9
249.06107	1.0
255.03012	16.6
256.03232	1.0
267.01984	1.0
271.02512	39.5
272.02939	4.2
273.04150	1.2
283.02554	1.1
283.10913	1.6
299.01953	3.1
300.02774	77.5
301.03522	65.3
302.04068	5.5
330.14319	1.0
361.16681	1.0
463.08762	9.8
472.12711	1.1
609.14587	100.0
610.14923	19.7
763.47528	0.9
771.21533	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	769.439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	10.9
61.98842	5.6
69.57069	3.6
69.57489	8.7
71.01405	11.7
72.99303	3.5
75.00877	5.4
79.13546	1.7
79.71932	1.7
85.02963	6.8
87.00889	3.3
89.02440	3.2
98.19910	3.5
99.00864	4.8
101.02455	5.1
113.02454	6.5
151.11311	1.8
163.11269	2.2
169.12357	32.1
171.10255	2.6
174.17693	1.9
185.11775	2.4
197.11861	66.1
198.12074	3.1
209.11848	31.6
210.12332	1.9
213.11375	2.6
225.11383	1.9
227.12984	3.9
253.09308	4.8
277.21741	64.3
278.22101	8.3
524.86670	1.9
737.41235	100.0
738.41498	23.9
769.43866	53.1
770.43970	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	769.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76491	14.3
61.98837	79.1
65.10361	14.5
69.40696	100.0
72.78404	13.2
73.33484	13.1
105.21504	12.8
113.39538	12.9
120.73042	13.5
165.32994	15.2
209.11819	40.4
220.00073	15.9
255.23322	36.2
383.64072	15.7
549.43774	17.7
761.04755	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	770.434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.4
61.98839	100.0
70.54528	0.7
70.54922	0.7
75.72645	0.4
91.01934	0.5
98.17189	0.3
109.89471	0.4
111.65240	0.3
115.29996	0.3
187.11389	1.4
211.13416	1.6
212.13814	1.0
213.13931	0.5
238.98785	0.3
267.82974	0.3
277.21820	0.7
278.22092	0.9
379.19333	1.0
391.19055	0.4
615.62402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.5
59.01392	14.0
59.37688	2.1
61.98834	6.9
69.73120	2.2
71.01389	17.3
72.99311	4.8
73.45217	2.0
75.00875	9.5
78.95849	2.4
83.01402	2.5
83.05045	2.6
85.02957	9.3
87.00869	4.6
89.02431	6.3
90.63562	2.1
95.01405	3.4
99.00862	7.9
101.02440	3.0
103.55037	2.5
113.02449	8.0
169.12370	13.2
171.10291	5.4
175.27208	2.5
185.11929	4.8
195.82605	2.3
197.11870	29.5
209.11836	20.8
223.94368	2.0
239.09244	2.4
253.09355	9.0
253.21693	4.0
263.45581	2.8
277.21750	100.0
278.22052	6.5
527.28778	3.2
737.41235	98.4
738.41168	25.3
769.43817	58.4
770.44403	14.2
775.37189	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
57.03453	4.2
59.01386	23.6
61.98839	42.4
62.48681	0.8
62.61824	1.0
66.17203	0.7
67.01875	0.8
68.99578	3.2
69.03463	1.2
70.99062	1.1
71.01012	1.5
71.01390	22.5
71.54575	1.1
72.72032	0.9
72.99321	7.0
73.02949	3.1
74.98321	0.8
75.00879	12.7
78.91957	0.8
78.95895	2.5
79.95744	4.0
83.01385	2.0
85.02959	20.1
87.00893	6.6
89.02449	3.5
95.01393	3.5
96.96022	84.8
96.97015	2.7
99.00904	9.9
101.02444	3.7
109.02948	0.9
109.06580	1.4
111.00868	1.0
112.98567	2.5
113.01713	1.7
113.02458	15.8
115.00388	1.5
124.01609	1.3
125.02479	2.1
137.02374	0.9
150.63466	0.8
160.21770	1.0
161.04688	1.0
163.11247	0.9
171.10236	3.8
175.02498	1.5
207.10263	2.1
209.11882	5.8
225.11359	3.4
225.22345	0.9
227.12762	1.0
249.06195	5.9
253.21739	1.8
255.15897	1.0
261.37012	0.8
267.07254	1.1
271.22830	16.4
272.23062	2.1
289.05115	1.1
305.17490	1.9
401.63498	1.1
415.26984	8.7
430.44186	0.8
433.28107	18.9
434.28333	2.3
461.20767	0.8
475.28925	2.7
683.35468	1.7
707.35040	2.1
725.36102	100.0
726.36420	25.6
769.33087	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.2
60.64848	0.9
71.01381	2.0
71.55294	0.8
82.31361	0.7
83.01395	0.8
85.02957	1.1
86.98007	0.7
87.33337	0.7
105.03463	0.9
109.02952	2.3
119.05077	1.0
121.02965	2.0
125.02409	1.1
132.02254	0.7
133.02972	7.6
135.04558	1.6
149.02489	0.8
151.00417	0.9
161.02443	0.7
163.00322	2.0
163.04021	2.2
165.01907	2.4
175.03993	3.2
177.01974	1.2
191.01901	0.8
191.03496	1.9
193.01442	1.3
199.03992	0.9
201.02017	0.7
213.05508	1.0
225.05583	1.0
226.83485	0.6
240.04311	1.5
241.05112	1.1
253.05141	0.8
269.04633	1.2
270.34351	0.8
283.06207	0.9
284.03308	9.2
285.04092	8.8
286.67633	0.7
297.04034	16.4
298.04782	9.2
299.05582	18.7
300.05869	1.5
311.05704	2.0
320.05115	0.8
325.03577	0.9
327.05118	99.2
328.05435	10.5
339.05103	4.3
341.06506	0.8
350.67844	0.7
357.06192	25.1
358.06546	2.5
369.06104	2.6
393.05966	1.7
447.09354	100.0
448.09653	11.9
540.00146	0.7
605.62671	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
62.98542	0.2
69.20315	0.2
69.20649	1.4
96.96045	0.3
98.37557	0.2
140.06845	0.1
162.68077	0.1
164.67015	0.1
169.01846	0.1
363.26511	0.1
366.75558	0.1
368.03714	0.1
372.29108	0.1
468.86545	0.2
494.69363	0.2
515.76141	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	769.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.9
57.03455	10.9
59.01382	7.8
59.07613	1.0
65.36396	0.9
69.30972	1.1
71.01390	3.8
71.54797	1.1
71.76971	0.8
71.98709	0.9
75.00880	1.3
83.01431	2.0
84.02186	2.4
85.02962	100.0
86.03304	2.3
95.56624	0.8
96.96033	2.2
99.00858	1.3
103.00424	1.0
111.00891	1.6
113.02463	2.5
117.01944	1.3
117.03472	4.1
119.05027	13.9
123.04546	0.9
125.02441	1.2
128.37692	0.9
129.01993	5.6
145.02977	28.3
145.04163	1.6
146.03307	1.7
147.03036	15.9
147.04375	2.1
157.75766	0.8
163.04024	11.7
163.05252	1.0
187.07553	0.9
191.01997	63.2
192.02272	2.2
195.03047	0.9
203.07201	1.6
231.06657	9.3
249.06180	1.2
267.07193	1.3
286.57043	0.9
290.29248	0.9
293.06723	1.5
307.29828	0.8
319.32379	0.9
337.05679	57.2
338.06055	5.3
438.97681	0.9
499.94128	0.9
656.67578	1.0
668.22620	1.1
768.26483	1.1
769.27136	7.2
771.27930	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	13.5
59.24305	0.7
61.98838	2.6
71.01390	3.1
71.54012	1.1
71.54371	0.7
73.02948	0.8
78.95930	0.7
89.02448	2.0
96.96029	2.1
98.18303	0.8
101.02452	2.3
110.70261	0.7
113.02488	1.7
119.03485	0.7
134.76886	0.8
147.49480	0.7
161.04568	0.9
162.02499	0.7
183.13905	6.1
193.12358	2.0
211.13403	100.0
212.13815	6.4
235.08264	2.9
250.02434	0.7
253.09267	6.8
277.21735	65.1
278.22089	6.7
324.90585	0.8
429.21344	1.0
447.22409	5.1
592.32513	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76909	0.2
56.55982	0.2
57.03448	0.8
59.01381	0.9
60.99313	16.8
62.95505	0.2
69.31489	0.8
69.31931	0.8
71.01384	0.7
75.00903	0.2
83.05033	0.2
85.02959	4.4
87.00878	0.8
88.00413	1.5
88.98815	100.0
89.02453	5.0
89.99152	1.3
95.87197	0.2
98.19955	0.4
101.02496	0.4
113.02431	0.3
113.06378	0.2
116.07911	0.2
117.24030	0.2
119.05025	1.4
119.71992	0.2
129.01974	1.3
141.59309	0.2
147.02969	0.3
149.16563	0.2
163.04004	2.1
169.55266	0.2
173.00877	0.6
191.02029	1.5
205.12311	0.3
228.12978	0.2
272.66830	0.2
327.66461	0.2
337.05698	1.1
429.17850	0.2
446.45667	0.2
559.20654	0.6
603.19055	0.5
663.68994	0.3
677.49786	1.1
678.50311	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67312	1.0
57.03461	6.1
59.01388	45.0
59.09030	1.0
67.01891	1.3
68.99819	2.2
69.03447	1.1
69.90995	1.2
71.01390	26.3
72.99321	6.5
73.02956	2.4
75.00881	19.6
83.01406	1.1
83.05054	1.2
85.02956	31.6
87.00877	9.2
89.02437	5.1
95.01409	6.1
96.96007	4.1
98.20754	2.3
99.00891	10.7
101.02443	2.1
103.00378	3.7
113.02465	30.5
114.02734	1.7
115.00373	2.5
117.01958	3.1
129.01900	2.7
131.03435	1.3
147.04501	1.6
148.73019	1.0
161.09680	1.5
161.13297	2.5
175.02460	1.4
187.11301	1.8
191.01978	1.6
198.71855	1.2
205.07202	3.1
205.12288	2.5
207.10281	2.4
223.13301	2.0
231.05075	2.5
249.06172	14.9
249.11346	1.5
250.06461	1.7
263.88403	1.2
267.07211	26.2
315.25485	1.2
442.05270	1.2
451.96603	1.1
454.95129	1.2
473.45145	1.2
517.19086	2.9
591.22858	6.0
749.24994	3.9
767.26221	100.0
768.26605	22.3
778.32202	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	7.0
59.01391	40.7
67.01901	1.2
68.99821	1.6
69.03464	1.7
71.01389	29.1
72.01720	1.1
72.99324	5.5
73.02956	1.4
75.00887	17.8
80.36164	1.0
81.54027	1.1
83.01405	1.9
83.05033	1.2
84.02208	1.0
85.02458	2.0
85.02959	27.2
87.00895	10.0
89.02459	6.6
95.01402	5.8
96.96023	3.0
98.20692	2.5
99.00887	9.6
101.02426	1.2
103.00383	2.6
106.98949	1.1
109.02953	1.1
113.02466	31.5
115.00377	2.8
117.01949	2.5
122.63362	1.0
129.01947	3.1
135.04544	1.9
161.09734	1.5
161.13370	2.5
163.11226	1.7
164.04678	1.2
175.02513	1.8
187.11311	3.0
191.01971	2.0
196.73172	1.2
205.07123	2.2
205.12378	4.8
207.05057	1.5
207.10255	1.4
231.05182	1.3
249.06171	15.0
263.19281	1.1
267.07248	26.2
269.83612	1.0
289.76312	1.0
306.87433	1.2
309.08240	3.0
370.03986	1.0
455.19232	1.3
499.18219	3.5
517.19421	2.4
525.14557	1.1
591.22815	3.9
749.25146	5.4
750.24207	1.5
767.26221	100.0
768.26489	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	767.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58280	0.6
59.01382	9.6
71.01387	4.1
73.02940	1.2
75.00890	1.2
85.02953	4.5
89.02464	1.4
93.82129	0.6
96.96033	1.3
101.02454	2.1
108.02191	1.0
113.02464	2.2
121.02975	3.8
122.03758	1.4
130.58871	0.6
134.59573	0.6
136.01674	51.1
137.02132	1.7
137.02301	1.7
145.85556	0.6
149.06128	0.7
151.04027	77.3
152.04346	3.7
160.05289	0.8
161.04579	1.7
165.04047	1.7
175.04039	0.7
175.07564	1.5
177.05664	1.0
179.03595	0.6
228.45990	0.6
229.18219	0.6
269.10242	0.6
342.11203	4.6
357.13458	100.0
358.13812	11.2
411.16577	1.5
413.28564	0.8
413.33948	0.6
501.17651	3.2
561.20117	1.8
668.04736	0.6
675.67023	0.7
767.26379	2.0
768.26416	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
55.05761	0.7
57.03453	11.3
58.00618	0.6
59.01383	13.9
68.99823	0.8
69.45509	4.9
71.01389	9.8
72.99316	2.4
73.02948	0.8
75.00884	1.4
78.44418	0.6
83.01385	4.0
84.02176	2.3
85.02960	100.0
86.03300	2.3
87.00879	1.9
89.02463	4.2
95.01398	0.8
96.96021	4.4
98.19902	1.2
99.00874	1.1
99.04461	0.6
101.02457	3.6
103.00373	1.2
104.43063	0.6
111.00904	2.7
113.02451	2.0
116.29189	0.7
119.03529	2.3
119.05053	10.5
129.01956	19.1
134.03755	3.6
137.02452	1.9
145.02979	0.8
147.03017	11.3
149.06110	2.1
161.13380	1.3
163.04028	15.4
173.00938	7.7
178.02705	3.3
179.05598	1.0
187.11290	2.9
191.01997	68.3
192.02354	1.8
193.05058	8.6
197.45731	0.7
205.01900	0.7
205.12396	3.3
209.03055	1.9
229.12485	1.1
249.11360	4.0
250.11720	0.7
293.06705	1.5
337.05710	17.6
337.09601	0.9
338.06064	2.1
355.10471	0.7
372.17056	0.7
379.14270	0.8
411.16568	1.5
429.17523	6.0
458.13351	0.6
488.38013	0.7
559.20416	10.0
560.20850	1.3
585.18353	2.7
603.19421	2.6
621.20398	5.7
622.20630	0.8
663.36639	1.0
664.36163	0.7
767.26581	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	767.241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.7
55.44984	0.7
57.03456	13.8
59.01390	10.4
61.92579	0.7
62.47979	0.7
68.99829	0.8
69.36222	5.7
71.01389	7.3
71.07016	0.7
72.99316	2.1
75.00893	1.3
83.01395	3.7
84.02178	2.1
84.69465	0.7
85.02959	100.0
86.03305	1.3
87.00900	1.6
88.98829	0.7
89.02458	2.4
95.01408	0.8
96.96049	4.6
101.02448	2.6
111.00915	3.6
113.02452	1.4
117.03463	0.8
119.03615	1.2
119.05042	17.9
121.73440	0.6
129.00972	1.2
129.01953	22.5
130.02411	1.0
147.03008	15.1
163.04022	27.6
164.04367	1.1
173.00900	7.8
179.08659	0.7
187.11272	1.2
191.01993	67.6
192.02272	2.0
205.12392	1.7
209.03017	2.9
249.11351	2.7
273.07809	1.3
293.06732	1.5
337.05643	20.7
338.05997	2.0
355.06677	2.1
429.17770	3.9
430.17816	0.9
559.20239	8.1
560.20313	1.2
585.18036	2.1
603.19318	3.2
621.20416	9.2
622.20599	1.4
654.80164	0.7
768.26611	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
56.60524	0.5
57.03459	13.6
59.01384	9.6
59.95986	0.5
68.99821	0.7
71.01395	6.5
72.99319	1.6
73.02946	0.8
75.00893	1.3
83.01392	2.6
84.02180	2.2
85.02962	100.0
86.03296	1.6
87.00888	1.8
89.02454	2.9
96.96026	4.1
97.45095	0.6
99.08125	0.6
101.02454	1.7
103.00404	1.0
111.00905	4.0
113.02438	1.2
119.03593	1.0
119.05046	17.2
120.05380	0.9
129.01958	21.1
129.56583	0.6
130.02298	0.6
141.70493	0.6
147.03021	15.3
161.13257	1.0
163.04036	23.4
164.04413	0.9
173.00906	10.0
179.05719	0.9
187.11324	1.3
191.02000	62.2
192.02383	2.9
204.14247	0.6
205.12376	1.6
209.03011	3.8
221.06734	0.6
249.11401	2.2
293.06760	1.3
300.87399	0.7
337.05695	18.0
338.06046	1.0
355.06689	1.4
393.18561	0.6
429.17554	2.9
433.71429	0.6
450.15985	0.7
559.20227	8.0
560.20374	0.9
585.18402	1.3
603.19196	3.6
621.20343	9.9
622.21222	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96235	2.7
67.41274	1.1
70.17560	4.5
71.01389	9.0
73.02973	1.4
78.98602	8.6
79.95743	15.1
80.96527	86.1
87.00874	4.2
90.87885	1.4
94.98104	20.9
96.96011	1.5
99.00868	1.6
101.02481	1.8
106.98087	3.8
122.97593	5.8
125.02441	3.9
134.97595	5.5
136.99127	2.2
148.99161	6.9
152.98700	5.6
164.98643	13.7
165.12741	1.2
183.13870	3.5
195.48280	1.1
206.99667	2.9
208.21870	1.2
217.96652	1.3
225.00772	22.9
229.63742	1.2
255.23271	3.3
264.22775	1.2
289.40601	1.3
440.46924	1.4
509.16846	2.1
765.41028	100.0
766.41223	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
61.98837	100.0
62.98537	0.2
63.99210	0.2
71.01388	0.7
78.95919	0.3
81.94875	0.2
85.85220	0.3
87.31550	0.2
88.98823	0.6
89.02440	0.4
92.85452	0.2
96.96011	1.5
101.02500	0.4
125.09651	0.3
197.11900	0.7
205.41231	0.2
209.11906	1.3
227.13019	0.3
229.25204	0.3
283.25018	0.2
723.35492	0.3
766.41998	0.4
789.63715	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04411	0.4
56.64880	0.3
59.01370	0.3
60.99313	20.2
61.98830	1.0
69.71616	1.7
71.01385	0.5
87.00890	1.3
88.00413	2.9
88.98817	100.0
89.02454	10.8
89.99156	1.1
96.96043	0.4
102.99215	0.4
133.26300	0.5
134.66782	0.4
149.84023	0.4
221.11391	0.4
235.84795	0.4
239.71510	0.4
277.21768	0.7
397.13486	0.9
415.14456	0.4
436.55893	0.4
706.50000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34566	1.6
59.01389	14.6
61.98836	20.8
66.93139	1.8
68.27053	1.8
71.01387	13.2
71.54308	2.5
72.99315	2.3
73.02946	3.0
75.00880	4.0
78.95877	2.1
83.01391	2.0
83.05058	3.5
85.02956	6.8
85.67194	2.0
88.98814	8.4
89.02469	2.5
96.96022	16.4
99.00861	2.8
101.02449	6.5
113.02433	6.5
121.03000	2.6
125.02462	2.6
125.23180	2.0
137.46170	1.8
153.53178	1.8
163.11256	4.4
171.10245	3.3
177.01820	1.8
196.11343	1.8
204.06366	2.0
209.11845	100.0
210.12187	7.4
211.13469	1.7
215.21471	2.1
227.12888	16.0
253.09207	5.0
429.24796	2.3
445.20889	3.5
581.63953	2.1
661.37927	5.4
721.33044	13.2
722.33246	4.4
765.34863	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84124	1.4
55.01898	1.7
57.03459	9.1
59.01381	15.3
60.89746	1.2
68.17722	1.2
68.99831	1.2
71.01383	21.0
71.53063	1.5
72.81702	1.0
72.99313	21.1
73.31927	1.2
75.00873	9.2
77.08990	1.1
83.01116	9.6
84.02190	6.4
85.02962	80.3
86.03331	1.5
87.00893	6.1
89.02441	5.4
90.97150	1.6
101.00956	1.4
102.98881	1.4
103.00356	1.9
111.00800	1.2
112.98670	1.2
115.00330	3.5
117.03319	1.4
118.96647	1.8
119.05089	2.4
122.81257	1.1
125.00962	2.0
125.02185	1.9
127.00068	1.3
129.01973	2.7
133.01480	6.7
134.03734	2.5
135.04539	22.0
141.01720	61.7
142.02049	2.1
147.03001	4.0
154.99631	8.6
156.12216	1.1
156.89928	1.3
161.02451	3.9
167.01920	1.2
169.01227	2.7
170.99112	2.0
175.02415	2.2
179.03503	17.3
185.00685	1.8
189.01762	1.7
191.01988	25.0
201.01808	2.7
209.03046	94.4
210.03336	2.7
213.00198	35.7
214.00456	1.9
219.01469	2.2
223.94350	1.2
231.01244	97.2
232.01552	3.1
234.99329	2.5
240.85921	1.1
256.99225	3.9
261.02563	2.5
269.03116	2.6
273.00992	3.8
287.04117	1.5
288.98837	2.9
302.96906	1.7
331.04388	2.0
371.06107	6.8
375.03278	9.4
390.99854	1.4
393.04425	100.0
394.04755	8.6
405.01514	1.5
409.01508	1.4
420.99567	2.7
423.03510	1.8
463.16769	1.3
465.44153	1.3
567.04681	7.8
568.04724	1.9
583.02338	1.5
585.05902	3.0
603.08142	4.8
688.48236	1.4
729.07361	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	763.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26463	3.4
59.01371	15.9
60.99305	5.2
61.98822	12.6
68.99596	17.8
71.01387	15.6
71.01731	3.5
71.54640	3.4
72.99329	4.6
81.03497	3.6
83.05076	4.9
85.02968	8.3
88.98812	28.6
89.02438	12.1
96.96034	42.5
99.00896	7.9
101.02412	7.7
108.64334	3.6
112.98578	18.4
113.02468	5.4
125.02448	8.7
125.09710	4.0
163.11267	10.3
171.10262	29.4
181.12350	10.4
207.10306	31.5
209.11855	100.0
210.12170	12.5
211.13419	24.8
225.11371	48.1
227.12897	16.2
253.09332	7.1
325.08521	4.2
397.13983	7.6
415.14722	4.3
441.55374	4.0
445.20633	4.3
461.20352	12.6
588.72375	4.1
653.31555	16.3
671.32776	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	761.427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66896	12.4
70.58675	35.3
78.95881	19.1
119.05035	13.0
128.02881	11.7
130.58437	11.9
142.01552	10.9
185.11794	55.8
211.13365	77.0
277.21741	100.0
279.23062	12.5
391.19089	19.1
400.96942	13.8
707.44470	13.8
761.43262	34.8
762.43311	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	763.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.3
59.01387	1.3
60.99313	16.0
61.98837	0.6
71.01385	0.8
85.02958	0.4
87.00893	1.2
88.00426	1.1
88.98814	100.0
89.02454	3.8
89.99146	0.9
96.36622	0.2
96.96012	1.6
101.02444	0.4
113.02489	0.3
125.02467	0.4
130.91608	0.3
152.68428	0.2
152.69925	0.2
154.62048	0.2
171.10266	1.2
183.13858	0.3
209.11841	4.5
210.12186	0.4
211.13434	1.7
227.12880	1.0
229.34891	0.3
253.09300	0.3
258.45724	0.2
263.39618	0.3
397.13760	0.4
417.14740	0.3
640.02374	0.4
763.40546	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94160	6.8
61.98827	27.3
69.39086	33.4
69.39515	26.8
71.01392	7.7
85.02979	6.7
88.60504	6.6
138.94498	6.5
209.11856	46.6
227.12962	16.6
277.21719	19.6
279.23309	100.0
334.43127	7.9
336.78204	8.6
368.12701	12.7
477.97528	7.8
609.05676	7.8
761.43597	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	761.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08464	6.1
61.98824	21.3
63.82690	5.5
68.57559	4.6
84.31389	5.3
91.67959	4.5
95.04519	4.7
102.11572	4.2
102.42233	5.2
112.43151	4.4
119.05029	6.9
120.11753	4.9
140.95656	5.3
141.48239	5.7
161.02455	5.2
203.44911	6.0
209.11830	100.0
210.12134	8.8
227.12921	23.9
229.11708	5.4
253.09116	6.6
277.21689	9.1
279.23285	62.1
280.23520	8.4
368.12561	16.1
445.20557	8.3
481.12320	5.2
524.93427	5.3
761.42645	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	761.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63131	24.3
58.36680	20.9
61.98546	21.0
61.98833	100.0
65.24326	22.8
70.72232	22.4
71.01394	32.1
71.54874	22.6
73.91944	21.8
106.60811	21.8
134.78770	24.4
234.05281	24.4
277.21838	43.9
277.99991	22.4
281.24893	62.3
298.84323	22.0
339.87991	25.4
368.13028	43.8
563.33380	28.9
656.45813	24.1
746.86682	25.4
761.43048	33.5
792.86835	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	761.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	9.2
61.98835	5.9
71.01362	4.8
71.24316	4.8
83.05032	4.3
83.85189	2.5
87.00905	3.1
96.96001	8.6
101.02435	4.8
113.02433	3.0
118.96964	2.5
121.18970	2.3
125.02412	3.4
126.92059	2.6
163.11302	4.3
171.10367	4.5
179.14449	4.1
195.13878	10.3
205.12334	8.8
209.11853	100.0
210.12108	9.3
211.13528	2.9
223.11394	4.9
223.13426	78.3
224.13728	7.1
227.12932	19.4
235.08202	6.1
253.09296	8.5
266.78528	2.3
277.04880	2.3
278.30371	2.4
317.00241	2.6
330.86551	2.6
338.40317	3.3
445.20618	4.7
459.22388	11.1
644.16010	2.9
651.33368	3.4
664.89374	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	761.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00764	1.1
61.98831	3.2
65.00343	2.0
68.99823	4.4
79.94101	1.1
83.01401	1.4
91.01900	5.1
93.03493	1.4
93.87170	1.1
107.01482	1.4
110.00113	7.7
119.05045	57.1
120.05385	2.5
123.00912	3.3
133.06650	3.3
135.04489	1.4
135.89742	1.1
136.98798	1.4
137.02428	1.8
137.99614	5.4
143.05066	2.0
150.88831	1.2
151.00389	7.4
155.68364	1.2
157.06631	3.3
159.08206	3.4
163.00421	8.4
163.04042	10.5
165.02013	1.5
177.05589	2.4
178.06361	5.9
179.07042	2.6
190.99896	2.6
191.03516	5.8
191.07137	5.8
203.07185	14.8
205.05081	4.5
206.05869	5.9
207.06575	2.9
216.04277	1.3
219.03113	1.5
219.06676	12.4
219.10271	3.3
221.08212	12.9
233.04619	5.4
234.05368	25.3
235.06010	3.7
247.06190	3.0
248.06842	2.4
249.07591	1.4
285.07333	1.3
297.07632	1.9
313.07184	1.8
323.12949	39.8
324.13257	5.3
325.07098	4.2
325.10730	1.9
340.13205	1.4
341.14032	2.5
353.10284	5.9
354.11063	11.7
355.11887	2.1
360.42908	1.3
367.11911	4.3
368.12671	100.0
369.13010	11.1
423.18295	2.2
437.19879	13.1
438.20215	2.2
469.16724	2.4
470.17538	1.6
491.65143	1.1
654.73529	1.2
692.26611	12.6
693.26630	2.9
761.33423	24.4
762.33240	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	761.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99838	3.2
71.54549	1.6
78.95929	2.9
80.53287	1.4
80.89291	1.1
83.01424	1.7
84.85535	1.2
91.01924	5.9
104.16654	1.2
110.00122	6.1
110.71912	1.1
119.05041	67.3
120.05430	2.3
123.00924	2.3
133.06615	2.9
135.04526	1.5
137.99609	6.1
149.02452	1.8
151.00374	5.8
157.06616	2.1
159.04541	1.2
159.08173	4.3
161.02486	1.3
163.00394	7.0
163.04054	7.2
165.01965	2.6
177.05574	3.1
178.06340	6.0
178.99876	2.2
179.07251	1.2
190.99727	1.7
191.03558	6.3
191.07216	3.8
203.07153	18.6
205.05080	5.2
206.05882	5.9
207.06606	1.7
219.06557	10.1
219.10204	2.4
220.07231	2.1
221.08243	12.7
233.04568	4.0
234.05336	23.5
235.05983	3.6
247.06221	2.2
248.06702	1.7
252.41348	1.3
276.02322	1.1
295.16513	1.1
297.07516	1.9
297.11630	1.1
313.07288	1.6
323.12912	48.6
324.13278	3.1
325.07135	4.3
325.10645	2.1
341.13699	1.6
353.10300	7.1
354.11075	9.2
367.12027	5.5
368.12671	100.0
369.13080	13.4
377.52945	1.4
423.18298	1.3
437.19614	15.5
438.20071	3.1
470.17599	1.6
472.15488	1.5
692.26135	10.3
693.26501	2.6
734.01367	1.7
761.33044	17.0
762.33423	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	761.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	6.8
62.06142	7.3
65.00329	16.5
66.12260	6.0
67.96109	7.5
71.54821	5.8
77.64611	5.8
78.95901	10.9
79.53528	6.1
83.01389	8.3
98.99754	6.7
103.37670	6.6
107.01405	16.3
113.93497	6.8
119.05033	68.8
123.28449	7.2
123.71719	6.4
133.06578	6.8
151.00386	52.3
175.00377	7.5
187.11269	26.2
200.12067	6.9
215.03568	8.4
219.06618	14.3
233.04602	8.7
233.49718	7.2
255.17500	17.9
256.17627	7.3
271.06033	19.1
295.06274	19.2
339.12341	13.4
353.10205	41.0
353.13959	100.0
353.18069	11.5
354.10632	9.6
407.18634	57.0
408.19110	9.0
421.16473	8.7
761.29688	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	761.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98852	1.5
64.48721	0.9
65.00333	2.4
68.82642	1.1
68.99821	3.1
69.25043	4.1
69.25475	3.9
70.15468	0.9
78.95926	2.3
83.01395	2.4
87.56478	0.9
91.01901	25.3
98.19892	1.8
107.05031	1.5
109.02908	1.1
110.00112	6.8
111.00965	0.9
119.05038	6.4
123.00876	2.6
132.05833	13.2
133.06677	2.1
135.00911	33.3
135.04468	2.3
136.01515	0.9
137.02464	1.6
137.99600	6.0
142.84106	1.1
151.00392	4.0
151.04016	3.3
152.01205	1.0
153.01959	17.3
155.85106	0.9
163.00407	7.9
163.04036	9.1
164.04793	8.9
177.05560	2.4
178.06342	6.5
178.99808	1.1
179.06995	1.9
187.11314	52.8
188.04723	1.2
188.11644	3.6
190.99884	1.6
191.03532	4.0
191.07201	4.0
205.05060	4.4
206.05887	4.2
207.06581	2.3
209.11815	7.6
210.12221	1.9
219.03140	1.3
219.06633	9.8
220.06990	1.1
227.12868	1.9
233.04576	3.5
234.05357	22.1
235.06027	4.2
235.08235	1.0
236.07135	1.0
247.06151	3.0
248.06693	1.4
253.09383	1.1
277.21716	11.2
278.22122	2.3
280.29611	0.9
297.07617	1.7
313.07083	1.1
323.12918	72.0
324.13297	6.5
325.07455	4.6
325.10638	1.5
341.14005	2.5
352.09744	1.2
353.10251	3.0
367.11932	2.7
368.12671	100.0
369.13123	12.2
421.16464	1.8
422.17377	7.2
437.19730	23.4
438.20148	4.3
491.24374	1.2
571.13959	1.1
692.26617	5.5
693.26373	1.4
719.02594	1.0
756.82306	1.0
761.32916	17.4
762.33289	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	759.41
Annotation	Unknow
Peak:m/z	Relative Intensity
65.23929	3.5
75.78127	3.1
79.93330	3.9
83.02519	4.1
84.74786	3.3
101.73721	4.0
107.95581	4.1
111.06242	3.4
119.05026	3.8
143.63599	4.1
146.35182	3.7
209.11839	85.8
210.12357	4.4
227.12973	18.4
235.08232	9.5
249.35867	4.1
253.09444	7.3
277.21738	100.0
278.22211	12.4
292.20450	3.7
295.60083	4.0
330.58054	3.7
759.40576	20.4
760.41870	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	759.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84514	12.7
71.01395	20.8
71.33585	12.6
78.95911	51.2
88.69518	12.0
98.20610	32.0
117.14435	12.5
129.50819	12.3
151.00330	21.0
152.99596	36.1
167.37563	12.3
199.13483	13.8
199.42082	14.4
209.11835	43.8
226.75197	16.0
227.12975	77.0
255.17455	14.4
277.21774	100.0
278.22079	21.3
279.23239	17.5
317.20868	15.3
407.18546	32.5
447.21573	21.7
463.22009	20.2
723.43115	24.9
759.43848	39.2
784.16510	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65374	2.8
62.57540	3.0
69.28472	30.7
71.01392	10.7
78.95913	13.5
98.20684	6.8
119.05051	9.0
139.02457	3.4
152.99669	3.4
167.42564	3.1
171.10287	10.3
199.09729	4.1
201.11464	3.6
209.09921	5.7
209.11852	100.0
210.12068	5.9
227.12975	17.0
253.09232	13.0
255.17497	4.0
277.21777	52.0
278.22238	5.7
279.23160	5.6
353.13992	5.2
382.99829	3.9
445.20761	6.3
447.21011	3.3
481.87607	4.2
717.98523	3.6
759.42310	17.2
760.41888	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	759.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42615	1.6
59.01376	6.1
60.22012	1.5
61.98827	5.6
66.92052	1.5
70.95486	3.3
71.01369	4.6
83.05032	3.1
85.02939	6.2
88.98812	2.3
89.02431	2.0
92.83595	1.6
96.86044	1.4
96.96016	14.2
101.02458	3.1
101.15574	1.5
113.02483	2.5
125.02443	2.9
132.20313	1.8
163.11192	2.2
171.10246	6.3
179.07190	2.6
181.21002	1.6
191.01901	2.6
201.11339	20.8
209.11842	100.0
210.12125	7.6
225.11252	3.2
227.12894	19.5
232.63954	1.6
235.08206	3.9
253.09296	6.9
354.16382	1.9
437.19952	3.3
445.20883	14.2
507.97659	1.7
629.31946	6.4
637.32062	2.6
647.32446	3.7
673.34406	2.7
759.35815	20.8
760.36096	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	757.379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	12.0
61.98825	17.3
68.99556	5.4
69.83077	4.2
71.01370	7.2
77.58826	3.4
83.68871	3.6
85.02916	4.5
92.60453	4.6
96.96026	100.0
98.95612	27.0
98.96412	5.1
99.15694	3.7
112.75752	4.0
125.02419	4.2
130.70570	4.0
167.03490	7.5
177.01889	6.9
209.11804	44.0
210.12170	8.9
211.13438	55.0
212.13664	4.3
227.12845	9.3
253.09230	8.2
309.20813	4.9
327.21854	9.0
539.84973	5.0
757.37823	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	757.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89378	16.8
71.01397	13.9
73.18549	12.4
98.19904	34.3
114.30489	15.4
148.44759	14.6
155.50151	13.2
176.28404	13.3
207.10316	29.1
225.11369	55.0
229.06235	17.0
269.93826	12.9
277.21741	100.0
278.22006	17.2
286.76489	13.6
287.28928	14.4
316.50815	15.5
721.41718	33.1
757.38855	80.4
758.40051	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	757.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	2.3
59.01392	13.4
61.98842	4.2
64.04794	0.9
71.01393	100.0
71.54717	1.6
72.01758	1.4
73.02946	3.9
78.95911	7.4
81.03452	1.2
83.01398	1.0
83.05083	1.0
85.02972	1.2
87.00867	1.5
89.02442	4.9
96.96060	1.3
97.02956	2.3
97.78155	1.0
101.02463	4.7
109.06616	8.2
113.02460	3.3
125.09746	3.5
127.11333	2.2
135.08206	1.6
152.99619	3.3
155.10834	1.6
161.04633	2.4
163.11288	4.0
171.10297	94.1
172.10614	6.0
181.08899	1.0
181.12347	2.7
189.09329	1.5
199.09756	20.5
199.13396	3.5
201.11353	21.8
202.11717	1.2
207.10275	23.4
208.10670	1.8
209.11848	1.6
215.12888	1.2
225.11351	19.7
226.11633	2.0
235.08269	2.6
243.12262	2.3
253.09329	13.2
277.21762	76.0
278.22046	8.8
435.18927	4.6
447.20981	1.1
461.20395	7.6
695.39215	1.8
721.41284	3.3
722.42065	3.2
739.43024	2.2
757.43744	18.4
758.44720	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	757.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	15.3
61.98842	9.6
64.18332	1.8
64.34131	1.9
71.01391	22.2
71.54603	2.8
73.02968	2.0
78.95893	2.5
81.03445	3.6
82.95408	3.8
83.05030	3.7
85.02955	4.0
88.98815	3.0
89.02451	2.8
89.79856	2.1
92.36030	2.1
93.03483	2.0
96.96023	28.9
97.02954	2.2
98.95596	5.4
99.00886	4.6
101.02482	7.0
109.06599	9.8
113.02489	4.6
117.82784	2.0
125.02446	3.6
125.06068	2.0
125.09705	1.9
133.58176	2.1
139.31815	1.9
140.46057	1.9
159.03001	1.9
163.11305	10.1
171.10269	7.2
181.12321	7.6
197.11768	2.2
207.10257	36.1
208.10675	2.9
209.11852	100.0
210.12135	6.3
218.99083	2.1
221.06493	2.1
225.11345	32.5
227.12912	17.9
235.08276	3.1
243.12355	6.4
253.09444	10.7
399.21313	2.3
405.63702	1.9
417.23077	2.7
443.19406	2.9
461.20514	13.5
635.31030	4.1
653.31537	7.1
671.32971	13.9
672.33722	2.2
689.33844	7.7
690.33270	2.4
713.39856	2.6
757.34058	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	757.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60606	1.6
59.01384	16.1
61.98839	9.9
70.09401	1.4
71.01393	24.8
71.05062	2.1
73.02956	2.7
81.03465	2.0
82.95424	5.2
83.05041	5.6
84.02177	2.3
85.02957	3.7
87.00897	1.8
88.98800	2.0
89.02448	3.8
91.65523	1.4
96.96024	17.7
97.02962	1.6
97.06577	1.7
99.00899	9.9
101.02458	4.4
109.06630	8.5
113.02438	4.7
119.03523	2.4
123.04545	1.8
123.08067	1.6
125.02485	1.9
125.09718	4.8
151.07671	2.5
161.04572	3.1
163.11311	10.0
165.12831	1.8
171.10289	6.5
174.32927	1.4
181.12357	9.3
182.12839	2.0
185.11827	2.5
199.13486	7.3
204.61470	1.5
207.10306	31.8
209.11858	100.0
210.12161	8.6
225.09265	2.8
225.11354	44.5
225.75584	1.4
226.11620	2.9
227.12910	18.8
235.08202	5.5
235.24255	1.5
243.12376	13.6
253.09259	12.8
254.09694	1.6
417.23199	2.2
461.20435	9.0
462.20605	1.5
479.21695	9.4
635.31110	3.7
650.95795	1.5
653.30713	6.7
653.41760	2.2
671.33014	9.4
672.34424	2.4
689.34058	19.7
690.33972	6.1
713.39539	5.4
721.36597	5.4
757.35938	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	757.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.6
58.65218	1.0
59.01389	26.1
69.40985	3.7
69.41395	3.3
71.01385	18.8
72.99313	2.2
73.02946	4.9
75.00884	2.2
83.01403	3.0
84.02216	1.0
85.02958	22.9
87.94028	0.9
89.02454	11.2
93.03517	1.1
95.01408	2.4
96.96016	5.4
99.00901	1.2
101.02470	9.4
110.83411	0.9
111.04525	1.0
113.02460	10.1
119.03530	4.3
119.05058	2.6
120.05836	2.2
120.65563	1.0
125.02505	2.1
129.01924	2.4
133.10263	2.7
134.03754	0.9
135.04581	1.7
135.11806	11.7
136.12117	1.0
142.71872	1.0
143.03445	1.3
143.08664	1.6
146.07390	3.1
147.03012	2.5
149.09717	1.1
150.03285	1.2
159.11787	3.4
161.04596	1.4
161.09737	24.1
162.10074	1.9
163.04060	3.3
165.05582	1.6
165.09241	2.7
179.05632	2.1
179.10796	57.1
180.11128	3.2
191.02003	19.9
203.10780	8.8
205.08720	1.3
209.08214	12.8
210.08650	2.2
221.11899	2.8
223.09778	100.0
224.10112	6.6
254.97316	1.1
337.05505	1.9
385.10120	2.4
385.15067	41.5
386.15411	3.9
546.98273	1.1
549.15753	1.4
757.25256	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	757.232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51388	1.6
55.98505	1.4
57.03445	2.7
58.00615	1.6
59.01387	11.3
62.81496	1.4
63.10736	1.4
71.01393	21.6
71.54570	1.8
72.99299	4.8
75.00874	9.4
79.36420	1.5
83.01379	2.9
85.02962	26.8
87.00873	5.9
89.02448	4.4
95.01371	3.8
96.95990	2.4
99.00897	9.6
101.02425	1.8
103.00382	3.3
113.02462	21.6
124.07690	5.8
125.02417	2.9
129.01927	4.4
132.04575	34.7
133.05351	13.8
134.06105	3.6
135.04527	3.2
147.03056	1.6
148.03987	1.9
150.05605	5.9
157.01434	1.6
160.07677	3.6
161.02466	1.8
165.04340	18.4
166.04729	1.6
175.02617	2.0
175.04073	1.9
186.09204	15.4
187.05170	2.4
187.08704	4.1
189.07668	2.9
191.01996	7.3
198.09271	5.0
206.08069	1.9
209.03082	5.9
212.10649	2.0
213.06720	2.0
215.11971	5.9
225.06554	2.6
226.07483	4.8
229.09821	38.3
240.10378	5.1
241.09834	36.8
242.10240	2.8
249.06104	6.6
254.06888	2.5
255.11411	7.8
257.12982	55.1
258.13367	5.2
265.10065	1.8
267.07278	24.5
268.08139	2.1
271.02588	1.7
273.08829	3.9
283.10919	80.9
284.11163	6.9
300.02725	4.3
301.03503	3.1
301.11951	37.1
302.12247	1.8
327.09894	4.3
345.10840	8.2
395.40213	2.2
419.14380	4.0
533.17480	3.4
551.18921	46.9
552.19202	7.1
577.16724	22.0
578.17212	3.2
595.18066	100.0
596.18146	19.2
637.19672	7.8
697.20941	2.0
757.23083	66.7
758.23511	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	757.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82630	0.5
55.01881	0.9
57.03455	10.0
59.01385	5.8
63.94478	0.5
64.87541	0.6
69.53996	3.8
71.01391	7.1
72.99314	1.3
75.00867	1.3
78.41684	0.6
78.64709	0.5
83.01389	1.4
84.02174	2.2
85.02959	79.5
86.03297	1.2
87.00867	1.5
89.02446	2.7
98.20079	1.6
103.00370	1.0
106.14120	0.5
123.14891	0.6
129.01953	4.7
133.01440	3.4
134.03737	1.3
135.04541	1.5
147.02983	7.0
173.00963	0.7
174.93526	0.6
191.01984	34.0
192.02292	1.0
193.05006	1.0
209.03038	100.0
210.03342	4.4
223.04573	1.2
371.06171	6.2
385.07733	7.2
386.08209	1.4
548.25397	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	757.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
57.03456	11.7
59.01384	4.3
68.99840	1.2
69.66087	4.9
71.01394	8.5
72.99305	2.0
75.00871	1.6
79.16402	0.8
83.01385	1.2
84.02172	2.5
85.02956	98.1
86.03286	2.1
87.00855	0.8
89.02448	2.7
103.00377	1.6
111.89896	0.9
117.38393	0.8
129.01985	5.8
133.01437	3.0
134.03745	2.8
135.04489	1.1
147.03018	8.6
160.68524	0.9
175.03809	0.9
191.01993	44.5
192.02341	1.9
193.05049	1.3
209.03040	100.0
210.03383	3.2
223.04594	2.0
236.62286	0.8
293.37357	0.8
338.85596	0.8
353.05109	1.6
371.06274	5.8
385.07794	9.5
427.31787	0.8
631.56372	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00805	0.5
59.01374	3.3
61.98834	1.4
71.01407	2.6
71.54280	0.8
73.02940	0.9
78.95909	1.6
80.02678	1.1
81.03470	1.3
83.05042	4.2
85.02996	0.6
87.00874	0.6
89.02481	1.3
95.05060	0.6
101.02448	2.1
113.02438	1.6
126.88507	0.5
141.60271	0.5
152.99614	0.6
161.04602	0.9
163.11292	2.8
165.12874	2.1
171.10362	0.7
179.05603	0.8
184.75641	0.5
191.10809	0.8
191.78514	0.5
197.33330	0.5
209.11852	100.0
210.12189	6.4
227.12920	10.8
228.13351	0.8
235.08267	2.3
236.41591	0.5
253.09290	7.8
259.15509	1.2
275.20023	0.6
277.21750	53.5
278.22134	7.0
360.51456	0.5
427.65344	0.5
445.20563	2.0
507.96756	0.7
533.04480	0.6
755.41534	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.7
57.03457	10.3
58.00564	0.6
58.50445	0.6
59.01384	7.3
64.85132	0.6
67.01887	0.6
67.33633	0.5
68.99822	0.9
69.31691	4.9
71.01384	6.7
72.99300	1.5
73.92148	0.6
75.00881	1.3
79.32819	0.6
83.01392	1.2
84.02163	2.4
85.02962	86.8
86.03299	2.0
87.00877	1.2
89.02457	2.2
103.00368	1.2
129.01987	4.4
131.21059	0.6
131.48326	0.6
133.01462	3.8
134.03793	1.6
135.04503	1.2
138.87233	0.6
147.02994	6.4
179.03508	1.0
191.02007	38.1
192.02281	1.1
193.05081	1.5
209.03049	100.0
210.03333	4.1
223.04668	1.2
371.06204	6.3
385.07758	9.9
386.08051	1.2
441.52811	0.7
711.84955	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.8
58.00592	0.7
59.01384	4.4
69.03462	0.7
69.80598	1.8
71.01369	2.8
71.05035	0.4
73.02962	0.9
80.02686	1.6
81.03464	1.3
83.01401	0.5
83.05045	4.3
84.02154	0.6
85.02941	0.9
87.00868	0.9
87.24544	0.4
89.02460	2.4
95.01366	0.5
95.05044	0.6
96.96021	1.6
97.02962	1.3
97.06606	0.6
97.33480	0.3
97.73706	0.3
97.88274	0.3
98.20709	0.4
101.02435	3.0
107.05006	0.3
109.06580	0.8
111.08184	3.8
113.02447	2.0
119.03517	0.8
125.02475	0.5
125.06064	0.5
125.09708	0.7
135.08159	0.6
137.09628	0.5
145.05075	0.4
147.11790	0.4
153.12833	0.6
161.04558	1.4
163.11322	4.7
163.76421	0.3
165.12885	3.3
168.02043	0.4
169.12349	2.0
171.10272	3.6
177.02000	0.4
179.05664	0.5
181.12398	2.1
183.13905	0.7
185.11755	0.4
191.10785	1.4
193.12299	0.4
193.16058	0.5
197.11847	21.2
198.12215	0.8
199.13405	1.6
201.11327	0.5
207.10324	0.9
209.11842	100.0
210.12189	6.7
211.13376	4.5
212.13550	0.5
223.13445	0.5
223.99487	0.4
225.11356	1.3
227.12900	13.1
228.13222	0.9
235.08221	3.3
247.20712	0.9
253.06673	0.7
253.09302	13.3
254.09691	0.6
263.20285	0.8
273.18665	0.6
291.19696	18.2
292.20020	2.6
293.21283	2.5
307.60544	0.4
309.20743	38.9
310.21078	4.3
433.20773	0.5
445.20749	0.8
501.32489	0.6
525.99078	0.4
545.28784	0.4
551.21552	0.5
574.57697	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92038	0.3
55.56566	0.3
57.03445	0.4
58.00597	0.6
59.01386	4.5
64.20346	0.3
66.97724	0.3
69.03475	0.4
71.01389	3.2
73.02952	0.9
80.02673	0.8
81.03452	1.0
83.01389	0.5
83.05029	4.5
84.02176	0.8
85.02965	0.8
87.00890	0.7
89.02460	2.2
95.05042	0.7
96.96071	0.5
97.02958	0.5
101.02446	2.5
109.06583	0.7
111.08170	5.0
113.02430	1.7
119.03500	0.4
125.02422	0.4
125.06047	0.4
125.09733	0.4
135.08180	0.7
143.03491	0.4
145.05042	0.4
153.09210	0.4
153.12883	0.4
161.04547	1.4
163.11301	3.4
165.12868	2.3
169.12364	2.0
171.10284	2.0
179.05609	0.6
181.12421	1.6
183.13844	0.5
191.10825	0.7
195.13835	0.3
197.11848	25.1
198.12143	1.4
199.13393	1.4
201.11324	0.4
207.10214	0.5
209.11842	100.0
210.12178	6.2
211.13411	4.4
222.67802	0.4
225.11331	1.0
226.11670	0.3
227.12915	12.4
227.15172	0.7
228.13231	1.2
235.08278	3.6
239.12636	0.4
253.06677	0.7
253.09308	12.2
254.09653	0.6
261.30917	0.3
263.20193	1.2
273.18661	0.4
291.19672	9.5
292.19952	0.9
293.21213	1.5
309.20737	32.3
310.21112	3.6
358.38260	0.3
445.20767	0.9
527.27783	0.5
545.29749	0.6
641.83655	0.3
698.80963	0.4
737.41272	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
62.31104	13.9
69.42995	32.0
69.43398	100.0
71.00275	14.6
77.50047	15.7
78.95946	19.7
174.77649	15.7
223.13268	16.1
226.80917	15.0
277.21646	21.6
355.27319	18.7
431.49979	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	755.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76912	2.3
57.03461	4.0
59.01386	13.7
61.98831	4.1
69.79528	8.7
69.79948	4.7
71.01389	10.2
78.95940	2.8
79.32872	2.1
83.05045	6.3
89.02473	6.4
96.96033	9.8
97.02966	3.5
99.00877	5.9
101.02459	9.8
109.06620	3.5
111.08165	4.7
113.02437	3.5
119.04993	4.3
125.02468	5.9
125.09730	4.7
145.98463	2.4
146.09125	2.2
151.88896	2.3
153.12880	2.5
161.04613	2.4
163.11348	11.0
165.12924	4.6
165.19218	2.2
167.03534	4.0
169.12289	3.3
171.10274	16.9
177.01900	2.3
181.12384	8.7
183.13936	16.5
197.10277	2.5
197.11806	14.0
199.13411	8.6
201.11356	4.3
207.10236	16.8
209.11856	100.0
210.12146	7.8
211.13382	8.2
225.11316	28.4
227.12915	24.9
235.08194	4.3
243.12407	3.7
250.24718	2.6
253.09216	18.1
275.20276	2.4
277.21661	4.7
291.19733	37.0
292.19919	5.0
293.21234	24.5
297.25189	2.6
309.20734	72.4
310.21130	5.1
311.22321	2.7
439.93866	2.8
461.20215	3.4
545.29742	7.3
737.42444	3.3
755.42218	60.0
756.42596	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	755.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83573	2.9
59.01387	15.9
61.98832	34.6
67.77792	2.9
70.62888	9.9
71.01395	16.4
71.20156	3.2
76.42438	3.5
82.59348	3.3
82.95430	17.5
89.02444	5.8
96.96027	77.7
113.02499	5.4
121.02917	2.9
125.02509	4.4
135.85730	3.1
140.02306	2.8
146.01627	3.3
167.90329	3.3
171.10255	3.3
199.86285	3.0
207.10138	3.8
209.11850	100.0
210.12198	10.8
225.11264	3.8
227.12906	16.9
231.09932	3.7
235.08215	4.9
237.37181	3.6
253.09303	12.4
273.17093	71.6
274.17505	7.1
280.39340	3.1
305.91327	3.6
445.21066	8.3
465.28714	4.7
502.70709	3.7
509.26254	4.1
755.35651	24.3
756.37714	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	755.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	3.0
56.59332	1.4
57.03448	4.5
59.01386	54.6
60.01725	1.7
61.98837	37.3
69.03446	2.4
69.35326	8.4
69.35746	3.3
71.01389	44.9
72.99310	3.8
73.02955	11.4
75.00890	4.2
78.95924	2.5
79.95756	1.4
80.96544	1.7
83.01395	7.6
85.02959	23.1
87.00895	6.0
88.98837	1.9
89.02453	12.4
95.01434	6.3
96.96021	24.6
97.02982	2.9
99.00891	5.8
101.02454	25.7
109.32939	1.4
111.00915	3.9
113.02470	22.2
119.03533	6.0
124.24604	1.5
125.02441	6.9
143.03519	5.1
159.03029	3.0
161.04578	4.1
166.79936	1.4
171.10313	3.3
191.02005	1.8
209.03102	3.6
209.11852	5.5
249.11015	1.9
272.02670	1.4
345.30206	6.5
386.84631	1.3
408.94879	1.6
427.11566	1.4
479.39413	1.6
487.36868	1.4
489.34241	2.2
507.35962	6.3
651.39624	100.0
652.39905	21.1
669.40759	52.0
670.41058	12.1
711.31842	3.1
711.43689	12.1
712.43115	1.6
755.31714	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	753.408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47042	0.6
57.03447	1.0
58.36425	0.6
59.01385	5.4
61.98831	2.2
66.02055	0.6
69.03450	0.8
70.65163	0.6
71.01395	4.6
73.02941	1.4
78.48587	0.5
80.02685	1.6
81.03470	2.0
83.01405	1.6
83.05039	5.3
85.02987	0.8
87.00866	1.1
87.23540	0.6
88.27514	0.6
89.02463	3.6
95.05049	1.2
96.96017	1.6
97.02950	1.5
97.06586	2.4
99.00897	0.9
101.02444	3.2
109.06610	2.9
113.02456	1.9
119.03541	0.7
119.08625	0.8
123.04559	1.1
123.08176	0.7
125.02427	1.3
125.09730	2.8
135.08176	2.0
137.09689	1.2
143.03491	0.8
145.05075	0.7
148.11644	0.6
149.09758	0.6
161.04556	1.9
163.11310	6.6
164.11606	0.8
165.12860	2.3
169.12337	1.6
171.10266	3.6
179.10690	1.0
181.12354	2.3
185.11838	3.7
191.10823	1.5
191.14458	2.8
195.13844	0.6
197.11813	5.4
198.12151	0.8
199.13445	1.1
207.10294	11.0
209.11847	100.0
210.12170	8.3
211.13367	3.0
222.12563	0.7
225.11354	11.0
226.11726	0.8
227.12900	12.7
228.13316	1.2
235.08235	2.5
237.11391	1.3
243.12294	1.3
245.19150	5.6
253.09317	11.4
263.20114	2.5
271.16901	0.8
289.18130	26.7
290.18555	3.1
291.19647	4.2
293.21277	2.6
307.19153	23.0
308.19473	2.8
309.20837	7.4
310.21005	1.1
461.20364	2.4
478.16553	0.7
499.31223	1.0
543.28046	1.3
735.39874	1.8
753.40668	9.5
754.41205	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	753.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
59.01386	14.0
61.98827	2.4
71.01382	2.0
71.54115	1.0
74.93647	0.8
78.95907	1.1
85.02959	0.7
89.02447	1.4
101.02441	2.1
107.16051	0.7
121.41090	0.7
153.12927	1.1
161.04579	0.7
169.12404	4.2
179.10846	0.9
197.11850	100.0
198.12221	6.5
200.07413	0.8
215.57422	0.8
235.08192	0.9
253.09264	6.8
255.23215	1.6
268.25974	0.7
277.21750	48.6
278.22076	5.1
318.26996	0.6
415.19434	0.7
433.20776	5.7
673.39948	0.7
753.41095	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	753.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
57.14772	0.6
58.39780	0.7
59.01387	6.3
61.98846	1.8
69.03454	1.0
70.09637	1.9
71.01402	4.9
73.02930	1.1
73.37109	0.7
78.95910	1.4
80.02686	1.4
81.03455	1.5
83.05022	5.4
84.02182	1.8
85.02960	1.6
87.00881	1.2
89.02456	2.5
91.01894	1.8
95.05051	1.5
97.02961	0.9
97.06593	3.4
101.02467	4.0
109.02950	0.9
109.06601	2.0
111.08177	2.1
113.02487	1.6
119.03527	0.8
119.05038	2.1
123.08162	0.9
125.02428	2.0
125.09754	1.1
127.16071	0.7
132.36530	0.8
135.00859	2.2
135.08189	1.1
135.38956	0.7
149.16275	0.7
151.11369	2.1
153.01955	1.2
159.97461	0.9
161.04568	1.3
163.11285	4.4
165.12840	6.8
169.12396	1.9
171.10268	3.2
177.01941	1.1
177.12849	1.3
179.10794	2.0
181.12367	3.1
183.13905	1.5
187.11336	1.7
191.10770	2.5
191.14424	1.6
197.11833	2.3
199.13336	1.4
201.11343	0.9
207.10257	2.8
209.11841	100.0
210.12198	6.3
211.13380	2.8
213.26654	0.8
224.06810	0.7
225.11330	2.7
227.12910	16.6
228.13144	1.0
235.08258	3.4
245.19223	4.1
247.13618	1.5
253.09314	10.0
263.20126	6.5
264.20535	1.0
284.42593	0.9
289.18179	7.7
291.19724	2.1
307.19205	21.1
308.19528	3.1
309.20825	1.7
323.12753	3.2
345.11182	1.6
407.18475	1.5
429.16760	1.7
445.20914	3.6
525.26428	1.5
543.28259	3.5
735.39935	1.2
753.40723	5.6
754.41766	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	753.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78751	0.9
57.03439	2.7
59.01390	7.5
61.98828	1.0
69.03470	4.4
69.53260	0.6
70.58463	2.2
70.76497	0.8
71.01397	8.0
71.05009	2.3
73.02946	1.4
77.83205	0.8
78.91899	1.6
81.03426	1.4
83.01390	1.3
83.05066	3.7
85.02953	2.4
87.00864	1.4
89.02446	3.4
92.02773	0.7
95.01384	1.0
95.05016	1.6
96.96004	1.7
97.02956	1.7
97.06567	2.3
99.00883	1.6
101.02460	5.8
109.06590	2.6
111.04573	1.1
111.08163	0.9
113.02436	2.9
123.04504	0.9
123.08131	1.5
125.02456	2.2
125.09702	3.2
135.08163	1.4
137.09697	1.5
141.09111	0.7
145.05032	0.9
149.09691	1.4
151.11311	5.3
153.12798	1.2
161.04585	1.3
161.09766	4.0
162.75374	0.8
163.11308	2.6
165.12851	2.3
166.72327	0.8
167.10822	0.9
169.12352	1.2
171.10294	5.4
179.10808	9.1
181.12347	2.9
183.13857	1.4
189.92256	0.8
191.10718	1.5
195.13936	7.7
196.14273	0.7
197.11852	48.6
198.12177	2.5
199.13435	1.3
207.10242	4.6
209.11842	44.3
210.12143	3.4
211.13403	3.5
223.09821	1.7
223.13402	5.0
225.11386	5.9
227.12900	7.9
235.08218	1.9
241.10788	2.0
245.19073	3.1
253.09335	7.9
261.23770	0.8
263.20111	1.8
275.20139	3.7
281.48203	0.9
289.18121	7.3
291.19617	2.4
293.21265	22.3
294.21579	2.9
307.19162	15.9
308.19666	1.1
309.20663	2.3
318.97037	0.9
332.46838	0.8
445.20667	2.4
459.18872	1.1
461.20148	1.6
477.19717	1.7
495.69580	0.8
536.60065	0.8
543.28235	1.1
735.39758	2.5
753.40710	100.0
754.41077	28.2
754.54724	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34050	1.0
57.03456	1.6
59.01386	13.3
61.98837	100.0
69.41405	5.6
69.41827	3.3
71.01385	35.6
71.05040	1.1
73.02951	2.0
75.00886	1.2
78.91902	1.9
78.95911	1.5
79.95721	1.3
80.96557	1.5
81.03451	2.5
83.01410	1.6
83.05041	4.1
85.02969	5.4
87.00901	1.8
89.02464	4.5
96.96026	25.9
97.02975	2.7
99.00883	3.3
101.02460	5.6
109.06606	5.2
113.02461	4.2
116.92933	1.2
123.08175	1.3
125.02458	4.7
125.09750	2.2
125.43631	1.0
129.01932	1.4
135.08163	1.8
161.04625	1.4
161.09782	1.2
163.11340	7.0
165.12910	1.4
167.03465	1.3
171.10289	7.0
181.12433	5.7
185.11888	1.4
197.11790	1.8
199.13461	3.3
201.11391	4.2
207.10291	17.1
208.10602	1.7
209.11848	54.5
210.12175	3.1
225.11374	14.0
227.12984	6.4
235.08180	2.2
243.12360	3.8
253.09422	5.3
328.11212	1.2
417.23203	1.4
461.20334	4.0
505.33951	1.2
547.35132	2.8
649.38068	4.9
653.31122	1.5
667.39185	3.4
671.33185	2.0
689.33582	2.6
709.39178	1.8
721.36841	7.7
722.36823	1.8
753.40009	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	753.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	17.7
61.98839	75.7
71.01394	29.1
72.99310	1.8
73.02962	3.6
75.00872	2.9
77.69144	1.2
78.95921	6.6
79.95750	4.2
80.91678	4.3
80.96528	2.9
83.01376	2.0
83.05017	4.5
85.02958	5.1
87.00880	2.7
89.02444	2.1
95.01431	1.5
96.96025	100.0
96.96985	3.9
98.19856	3.0
99.00890	2.2
100.43755	1.4
101.02435	6.3
109.06586	4.2
113.02461	4.9
113.06457	1.6
116.91628	1.4
124.12466	1.8
125.02418	4.4
125.09704	2.0
161.04613	1.4
163.11298	3.7
167.03529	1.6
171.10310	10.0
183.28119	1.5
191.10828	1.7
197.11893	1.9
199.13387	2.2
201.11279	2.8
207.10291	12.7
209.11847	38.8
210.12207	2.3
224.38261	1.3
225.11334	14.6
227.12921	5.3
235.08141	1.8
249.11215	2.1
253.09308	4.3
461.20303	3.6
562.51801	1.7
649.38586	8.5
653.31891	3.3
667.39105	7.0
671.32892	2.3
721.36121	3.9
753.38428	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	752.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76632	0.2
59.01379	1.0
61.98837	100.0
63.39006	0.2
71.01401	0.7
71.55148	0.2
73.02969	0.4
75.00874	0.2
78.95923	0.2
79.95781	0.2
83.32420	0.2
83.91675	0.2
85.02968	0.7
89.02457	0.2
96.96024	2.5
101.02477	0.4
113.02454	0.4
116.92873	1.8
117.92889	0.4
125.02460	0.3
142.91553	0.2
152.66837	0.2
161.04636	0.2
162.54253	0.2
163.11382	0.2
171.10315	0.3
181.68440	0.2
207.10300	0.3
209.08247	0.3
209.11848	1.3
225.11374	0.4
230.13303	0.2
253.09227	0.2
357.02994	0.2
413.34976	0.2
547.35370	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44002	1.6
57.03438	3.6
59.01386	39.2
61.98836	60.5
62.82247	1.9
66.57260	1.6
67.11012	1.9
69.78396	1.8
71.01392	27.0
71.55273	2.2
72.99323	5.7
73.02942	4.7
75.00883	13.1
78.01864	1.8
78.95924	2.3
80.02675	2.7
80.96564	2.1
81.03466	3.4
83.01410	3.5
83.05043	9.0
85.02953	19.3
87.00876	7.4
88.98805	3.8
89.02449	7.3
96.95995	8.2
99.00898	9.0
101.02452	9.6
103.00400	1.6
113.02473	18.1
117.01880	1.9
119.03538	3.7
125.02432	2.8
125.09727	2.3
135.08247	1.7
143.03569	1.7
163.11281	5.2
165.12878	2.4
171.10223	3.5
175.02452	2.8
182.06645	1.6
191.10794	3.6
209.11852	100.0
210.12164	6.3
227.12979	10.6
268.80130	1.7
503.31873	2.8
545.33325	24.8
546.33502	4.0
589.32562	8.2
631.37256	3.2
641.09760	1.9
647.36707	1.8
649.38116	3.9
684.34802	2.2
687.32416	27.3
688.32043	4.4
707.38403	2.1
719.35150	45.2
720.35394	7.4
751.37781	33.4
752.38690	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	751.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	0.8
65.00317	0.7
85.60807	0.7
91.01907	42.8
92.02232	1.4
98.20666	1.7
109.02990	1.0
132.05829	27.5
133.06573	2.9
135.00900	68.6
136.01202	2.3
145.06590	1.3
148.03769	0.8
153.01952	32.5
154.02362	1.1
164.04816	12.8
165.05162	1.1
177.08098	0.8
187.11299	55.1
188.11678	2.9
207.10194	0.8
255.17569	36.8
256.17902	3.0
268.66302	0.8
280.48767	0.9
323.12909	82.2
324.13300	9.7
391.19177	100.0
392.19525	15.3
417.33112	0.9
581.68451	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01115	1.6
59.01388	22.0
61.98837	52.2
68.99580	2.3
69.03493	2.0
71.01390	16.2
73.02951	4.2
79.34325	1.3
80.02681	1.8
81.03474	3.8
83.01399	3.5
83.05037	6.9
84.02181	1.7
85.02956	8.6
87.00877	3.4
88.98808	1.2
89.02469	9.3
95.01371	2.1
96.96027	11.4
97.06609	1.4
98.19917	3.8
99.00884	1.6
101.02470	12.0
112.02093	1.1
112.98534	1.9
113.02468	9.6
113.03130	1.6
119.03458	3.0
119.05015	1.4
125.02446	2.9
135.08113	1.5
151.11203	1.8
153.12869	2.6
161.04523	2.7
163.11305	6.3
165.12910	2.5
169.12364	40.3
170.12653	2.1
171.10226	1.3
177.01663	1.1
179.10799	2.1
191.10713	1.7
197.11848	74.8
198.12198	4.8
209.11848	100.0
210.12178	7.2
227.12968	7.2
253.09377	6.4
331.26746	1.3
433.20850	1.6
450.96350	1.3
497.48273	1.4
503.32211	1.5
647.36810	7.4
648.36951	1.7
649.37909	2.1
660.43219	1.6
665.37415	5.6
687.32300	28.0
688.32147	7.0
707.37665	1.5
719.21771	1.4
719.24670	0.9
719.34937	55.4
720.35248	11.4
751.37689	60.3
752.37982	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	749.434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95581	2.5
55.50981	2.8
57.03458	3.6
59.01398	15.8
61.98821	9.6
68.99866	2.7
71.01396	23.3
72.99303	7.1
73.02972	4.9
75.00876	29.6
80.91689	6.3
85.02974	24.6
87.00889	8.0
95.01402	6.8
99.00893	23.7
113.02465	30.0
119.57627	2.5
122.78516	2.5
144.36157	2.7
155.71889	2.6
157.01401	4.6
171.10327	18.5
175.02466	5.5
199.09732	3.2
201.11308	7.0
206.69577	2.6
207.10210	7.5
225.11362	8.7
249.06155	6.2
255.23308	100.0
256.23651	9.1
414.18774	3.6
441.80106	3.4
505.29984	10.6
559.02972	3.1
601.41742	2.8
659.40302	32.5
660.40271	6.5
687.39532	23.0
688.40106	5.9
713.41168	55.3
714.41431	11.5
731.42297	33.0
732.42474	10.4
749.43469	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	749.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.3
61.98837	31.2
71.01388	5.2
71.53796	3.2
72.99306	5.7
75.00872	5.5
83.05024	5.5
85.02962	2.1
88.98809	4.8
89.02476	3.2
89.68140	2.3
96.96050	9.7
101.02438	2.7
114.37683	2.2
125.02471	2.9
169.29575	2.1
171.10324	2.5
183.13893	8.6
193.12338	2.9
209.11856	100.0
210.12169	7.5
211.13409	99.9
212.13733	6.1
221.08292	2.1
227.12895	16.2
235.08264	3.4
253.09354	10.0
255.22934	1.9
273.23129	2.1
381.10815	2.2
387.73691	2.1
445.20944	5.7
447.22485	8.3
448.22589	2.7
639.33716	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	749.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.4
55.08046	0.8
57.03459	5.4
58.00586	1.1
59.01384	21.0
60.37722	0.8
61.98832	1.2
67.01883	1.6
68.99837	1.0
69.03448	1.9
69.25269	6.5
69.25681	2.2
69.98124	0.7
71.01389	32.9
72.99323	6.5
73.02956	1.3
75.00877	19.5
83.01382	2.1
83.84515	0.7
84.02177	1.1
85.02957	37.0
87.00890	12.7
89.02457	8.0
90.93645	0.8
95.01388	7.6
95.05056	1.6
96.96014	8.5
99.00288	0.9
99.00888	11.5
101.02441	2.8
103.00368	2.7
108.02195	1.4
109.02947	1.1
111.00870	1.7
113.02462	46.2
113.06116	0.9
114.02724	0.9
115.00374	3.3
117.01949	2.4
119.03522	1.1
119.05031	1.5
129.01939	2.1
131.03545	1.6
135.04533	1.0
137.02393	0.9
149.02469	1.4
149.04553	1.5
150.03209	2.7
151.03607	0.9
152.01190	1.2
157.01434	1.9
161.13370	13.1
165.05490	2.1
173.87878	1.0
175.02411	1.7
187.11307	11.0
195.06543	2.0
205.07202	5.0
205.12360	13.2
207.05072	2.2
213.09262	1.1
249.06152	10.7
253.98412	0.9
255.06529	1.0
267.07230	53.0
268.07590	2.5
306.00540	0.9
314.08090	1.2
329.10376	1.7
359.11102	0.9
376.18405	0.9
437.17889	1.9
481.17493	5.3
573.21967	4.7
574.22369	1.0
719.28314	0.9
731.24652	2.6
749.25073	100.0
750.25494	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02330	0.9
54.98657	1.0
55.00243	1.0
57.03441	3.9
59.01390	27.2
60.01701	1.0
61.98823	4.0
62.50351	0.9
67.01871	1.0
68.99821	1.4
69.03476	1.1
71.01389	38.1
71.55176	1.3
72.62220	0.9
72.99328	7.2
73.02943	2.8
75.00478	1.5
75.00882	20.7
81.03458	1.1
83.01373	2.4
85.02959	38.2
85.17787	0.8
87.00896	13.2
89.02451	10.1
91.04013	1.4
93.03413	1.3
95.01424	6.2
95.05035	1.3
96.96027	6.3
99.00900	12.3
101.02439	3.5
103.00357	3.0
107.04996	1.2
108.02197	1.5
112.01729	1.4
113.02463	47.0
114.02782	1.2
115.00382	2.6
117.01933	3.5
119.03541	1.5
119.04961	1.3
125.02543	1.1
127.69536	0.9
129.01939	3.1
131.03531	1.5
135.04440	1.3
150.03207	3.3
161.13406	15.3
162.13675	0.9
165.05534	3.6
174.80357	1.0
175.02481	2.3
178.59473	1.0
187.11319	9.1
192.50572	0.9
195.06601	2.1
205.07222	5.3
205.09010	1.0
205.12358	14.0
207.05115	2.4
207.68811	1.2
211.04001	1.0
213.09171	1.0
231.04851	1.2
233.56964	1.0
249.06178	9.7
267.07239	54.6
268.07416	2.3
342.36063	1.0
393.19504	1.1
481.17184	4.4
499.18073	1.5
573.21838	4.6
687.26233	1.4
701.27252	2.6
731.23651	2.7
749.25104	100.0
750.25507	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	749.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
57.03458	12.2
59.01384	8.1
69.33820	0.6
69.85202	3.1
71.01395	8.2
72.99329	3.6
73.96427	0.6
75.00883	2.0
75.74378	0.6
83.01389	2.3
84.02200	4.8
85.02962	100.0
86.03306	0.9
87.00892	1.6
89.02464	4.0
103.00376	2.3
108.79933	0.6
115.00420	1.0
119.05064	4.1
129.01942	4.4
133.01413	4.5
135.04553	1.5
141.01758	3.9
141.02695	0.7
145.03009	1.9
147.03026	11.8
154.99623	0.8
156.99106	1.7
163.04037	2.4
165.61636	0.7
168.99966	0.6
170.13554	0.8
179.03580	1.0
191.01999	49.1
192.02354	1.2
209.03052	75.4
210.03410	2.3
213.00200	2.8
216.47868	0.8
228.97595	2.4
231.01271	7.2
240.79181	0.7
246.98604	3.0
288.98987	0.9
296.12399	0.7
337.05655	1.7
355.06744	27.5
356.07156	2.4
366.36584	0.9
393.05023	3.5
407.05960	1.7
420.99429	1.6
506.93649	0.7
551.05444	1.2
567.03143	1.6
585.04944	0.8
682.26801	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.514
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34065	1.3
59.01386	22.4
71.01391	17.8
71.16503	1.8
71.16856	1.9
72.99306	1.4
85.02948	3.3
89.02453	19.5
101.02451	13.6
113.02449	8.1
119.03512	11.4
141.72838	1.7
143.03497	2.6
149.04568	1.9
161.04478	2.2
179.05609	6.0
225.22202	3.8
271.22806	3.2
278.24869	3.1
300.07330	1.6
532.47345	15.5
533.47504	3.9
550.48480	6.2
712.53711	100.0
713.54205	24.3
748.51270	25.8
749.51556	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	747.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.5
59.01389	10.9
64.70348	1.0
68.99783	1.0
69.81563	3.5
71.01014	1.4
71.01385	16.1
72.99315	4.5
73.02947	1.0
73.47747	0.8
73.49477	0.8
75.00880	17.2
77.45314	0.8
80.02702	1.0
80.58756	0.8
80.71744	0.9
81.03455	2.1
83.01408	2.1
84.02203	1.0
85.02961	20.9
87.00882	6.9
89.02440	2.6
95.01391	4.3
97.02965	0.9
99.00883	11.4
103.00361	1.9
111.00865	1.0
113.01736	1.5
113.02470	22.4
114.02755	1.1
115.00407	1.9
117.01947	2.9
121.64008	0.9
125.09770	0.9
129.01950	1.8
133.24803	1.0
150.53923	0.9
156.55649	0.9
163.11314	2.7
165.12924	1.2
175.02544	2.9
187.58194	1.0
205.07248	1.1
209.11839	32.4
210.12241	2.7
227.12897	2.0
249.06189	2.5
255.23318	84.1
256.23657	8.1
263.72464	1.0
487.29129	1.3
505.30347	4.3
697.42218	1.5
715.42792	100.0
716.43170	24.1
722.88068	1.0
747.45428	72.2
748.45654	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	747.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61852	1.6
57.03446	2.1
57.57466	1.3
59.01387	50.0
60.07785	1.6
60.76606	1.3
61.31833	1.2
61.98835	17.7
70.79832	1.2
71.01020	2.8
71.01389	44.4
71.55043	2.5
72.99303	4.1
73.02946	4.7
75.00855	5.4
83.01401	3.3
85.02959	18.7
87.00871	5.6
88.98820	1.5
89.02454	34.6
89.03015	2.1
90.02769	1.4
90.33492	1.4
93.03481	6.6
95.01397	5.9
96.96012	7.9
99.00890	5.1
101.02455	20.3
109.02963	3.1
111.00883	1.7
113.02476	23.2
119.03513	12.0
121.02976	10.4
122.03761	18.8
124.01656	1.6
125.02444	3.3
133.02928	3.6
134.03723	3.4
135.04503	4.1
136.01668	3.1
137.02425	2.2
143.03474	2.5
145.02971	1.5
147.04552	2.1
149.02455	24.2
149.04509	2.6
149.06053	2.5
150.03239	100.0
151.03667	6.3
159.11841	11.5
161.04579	2.7
163.03996	3.5
164.04793	5.8
165.05583	96.3
166.05878	5.1
171.57291	1.5
175.04004	5.4
176.04565	1.4
177.05536	2.5
179.05670	8.3
179.07092	2.3
180.04324	6.5
181.04953	2.1
185.09689	3.0
190.06310	5.4
191.07056	3.7
193.05026	2.8
194.05872	2.7
195.06648	62.9
196.06960	5.1
203.05588	1.4
203.10799	4.8
205.05055	2.0
205.08702	3.4
208.07317	2.5
219.06621	1.7
243.12448	2.4
249.06331	1.4
267.07248	15.3
273.70694	1.5
356.12933	1.5
359.14957	16.5
360.15103	2.1
371.14893	5.5
379.86542	1.3
389.15594	1.7
435.16589	3.6
479.16074	2.4
507.20078	2.3
521.20319	3.6
533.20313	3.3
537.21307	15.3
538.21014	2.0
551.21625	2.5
585.23529	17.2
586.23395	2.7
643.32764	1.6
681.24969	3.1
699.26593	52.5
700.26831	11.1
715.25238	2.0
727.02924	1.5
747.28149	15.9
748.27844	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	745.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	1.2
61.98856	1.2
63.02416	1.7
63.81616	1.4
65.00329	18.8
65.03982	2.1
69.22303	13.1
83.01411	1.5
89.00346	4.0
91.01907	36.3
97.02954	9.9
98.20628	2.1
107.01394	7.7
107.05072	2.3
109.02982	2.7
119.05042	23.7
121.02968	5.7
125.02480	3.5
132.05807	17.6
135.00906	48.1
136.01195	2.5
137.81627	1.3
149.02483	1.4
149.99608	3.7
151.00409	14.2
151.04019	7.2
153.01959	22.0
161.09718	2.2
164.04791	10.8
165.01953	57.6
166.02328	2.3
169.06493	1.2
175.00400	2.4
183.08167	1.8
187.11298	56.4
188.11594	3.8
200.12047	13.0
219.06584	2.5
225.09294	2.5
229.15961	5.6
232.11067	20.2
233.04565	2.1
233.11450	1.6
255.06683	8.0
255.17578	99.8
255.23224	4.0
256.17828	9.1
279.23306	1.6
281.15466	1.5
323.09061	3.0
323.12915	61.9
324.13260	6.8
337.10791	1.9
337.14362	2.5
339.12418	11.8
340.13098	1.4
351.12399	4.2
353.13965	29.1
354.14307	3.2
361.10721	1.8
391.19186	43.1
392.19482	5.4
407.18707	15.0
408.19104	1.7
421.20248	100.0
422.20541	13.8
427.26358	2.0
431.18576	3.1
463.14059	10.0
464.14462	1.7
489.22931	8.5
593.29175	4.2
727.30316	2.1
745.30347	22.7
746.30334	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	745.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.3
57.52353	0.2
59.01380	0.7
63.17617	0.2
65.00341	0.5
71.01385	0.4
71.05016	0.2
81.03469	3.4
82.03813	0.3
83.01405	0.9
85.02979	0.3
89.02451	0.3
96.71823	0.2
98.19865	0.4
99.08192	0.8
101.06106	0.5
107.01385	0.3
113.02503	0.3
119.03537	0.2
122.03748	0.3
123.08180	1.6
124.08539	0.2
124.11314	0.2
125.02467	3.9
125.06102	3.3
125.06935	0.3
126.02769	0.4
126.06455	0.5
127.06575	0.2
136.05328	0.8
141.09253	0.2
147.08188	0.9
149.02458	0.4
150.03244	0.6
151.00366	0.6
152.00853	0.2
165.05579	0.7
165.09225	19.9
166.09564	3.8
167.07152	0.3
167.09845	1.0
180.04430	0.2
191.07109	1.3
192.07516	0.5
195.06691	0.5
205.08817	0.2
209.08212	100.0
210.08546	24.4
211.08745	8.7
212.08908	0.4
233.08200	0.4
251.09259	0.7
252.09688	0.2
275.07062	0.4
371.13495	12.3
372.13828	4.1
373.14105	3.1
373.18414	0.2
411.14377	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.7
58.00594	4.9
59.01385	100.0
59.19262	1.1
60.01735	1.1
61.98839	24.9
69.47404	7.5
69.51566	0.9
71.01389	75.3
72.01741	1.7
72.99312	8.0
73.02958	4.0
75.00875	2.7
78.54751	1.1
83.01402	5.3
85.02962	30.8
86.03329	1.9
87.00879	5.1
88.98811	2.1
89.02455	82.6
90.02753	2.0
93.03473	4.6
95.01408	5.8
96.96032	12.1
99.00886	2.5
101.02454	39.3
109.03004	2.0
113.02467	27.8
119.03515	38.4
120.01263	35.5
121.02989	7.3
122.03749	15.2
123.04528	1.3
124.01675	1.6
125.02435	2.9
129.01933	1.3
131.03516	4.3
133.02916	1.1
135.04530	2.6
136.01688	8.7
137.02496	2.5
143.03506	6.5
147.04611	1.2
149.02451	22.8
149.04575	4.2
150.03244	86.4
151.00424	1.5
151.04024	10.4
157.36382	1.0
160.01704	1.8
161.02464	2.3
161.04605	6.8
161.05846	1.4
164.04802	5.9
165.05583	78.2
166.02740	6.4
166.05930	6.0
175.04021	1.2
177.01889	1.2
177.05608	1.8
179.05635	11.5
179.07091	1.7
180.04291	4.2
181.05077	6.9
189.05641	1.4
190.06363	1.5
191.01991	10.9
195.06645	57.6
196.06973	2.8
267.07117	1.8
268.07379	2.9
279.06781	1.9
283.09833	2.2
309.07822	1.5
310.24182	1.1
311.05661	1.4
311.09290	2.5
313.23935	1.5
322.08289	1.3
323.09286	4.3
324.06519	1.6
324.09991	2.1
338.11557	1.6
339.08670	15.7
339.12073	0.9
340.09274	2.2
354.11148	5.2
355.11856	1.7
357.09549	2.0
357.13333	5.2
369.13458	30.5
370.13824	5.4
372.11942	2.0
387.14511	16.4
388.14893	3.0
497.27487	4.7
505.18774	1.9
517.18610	1.5
535.19788	19.4
536.20178	4.4
565.21240	1.4
583.22064	20.7
583.31024	0.8
583.98816	1.1
584.22449	3.1
701.27856	4.4
713.23669	1.7
744.37720	4.2
745.26971	1.6
745.38147	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	745.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01720	1.5
57.03450	3.8
58.00599	4.4
59.01386	99.0
60.01728	1.9
61.98835	9.7
62.74581	1.6
69.35328	11.8
71.01389	77.5
72.99310	7.0
73.02940	4.5
75.00868	1.8
83.01386	3.5
85.02960	21.4
87.00890	3.2
88.96974	1.4
88.98784	2.5
89.02454	100.0
90.02796	1.9
93.03471	3.9
95.01387	6.1
96.96008	18.6
99.00909	1.4
101.02445	44.5
102.02773	1.5
113.02467	33.8
119.03519	41.7
119.04850	2.0
120.01256	20.1
121.02952	6.8
122.03756	12.7
124.01698	1.8
125.02477	2.1
131.03531	4.6
135.04506	4.7
136.01677	7.7
137.02461	3.6
143.03535	6.8
144.59035	1.5
149.02469	20.1
149.04504	3.2
150.03239	83.9
151.04108	9.0
151.05069	2.2
161.04550	5.4
161.05908	1.7
164.04765	4.6
165.05585	67.6
166.02715	5.7
166.05977	2.9
167.03525	2.4
177.01814	1.3
177.05666	1.6
179.05620	15.2
180.04248	4.2
181.05061	6.3
181.15184	1.4
191.02032	1.9
195.06639	41.4
196.06958	3.9
209.11780	2.1
239.07898	1.5
267.07166	1.6
268.07422	2.6
280.07346	1.9
281.09396	1.5
283.09576	2.1
296.07175	2.0
308.06528	2.3
309.07993	2.2
311.05713	2.3
311.09232	3.3
323.09094	3.4
324.06323	2.8
324.09875	2.1
339.08740	16.3
340.09210	2.4
354.11093	6.9
357.09744	2.2
369.13458	33.7
370.13733	4.5
387.14578	16.6
388.14749	1.7
444.39124	1.5
481.03387	1.5
535.19684	19.4
536.20081	3.9
583.21637	12.2
701.28278	1.8
714.25427	12.0
745.37170	5.6
746.27612	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	745.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12626	0.8
55.01881	1.4
57.03447	2.2
58.00607	6.1
59.01385	100.0
60.01725	1.1
61.98841	5.0
65.22021	0.8
69.30351	2.8
69.30768	5.0
71.01389	71.6
72.01733	1.7
72.99310	6.9
73.27415	0.9
75.00904	1.2
81.03454	0.9
83.01395	1.9
85.02957	12.8
87.00879	3.8
89.02452	80.8
90.02780	1.4
93.03435	1.5
95.01387	5.3
96.95990	1.3
101.02452	41.2
113.02458	28.0
119.03517	38.3
121.03003	3.3
122.03735	5.4
125.02466	1.8
131.03542	4.8
143.03503	7.4
149.02443	11.9
149.04561	3.6
150.03233	32.2
151.03770	1.7
161.04549	3.8
164.04787	1.3
165.05585	29.2
166.05919	1.2
172.20760	0.9
179.05649	11.4
179.07158	0.9
180.04399	1.7
191.01935	1.6
195.06619	20.5
196.07005	1.9
197.11996	0.8
199.28491	0.8
257.40512	0.9
268.07321	2.9
273.07581	1.0
279.06738	1.0
280.07291	1.0
283.09842	1.3
296.06796	1.4
308.07095	2.2
309.07761	1.5
311.09302	2.0
323.09213	3.6
324.06351	1.6
324.09863	1.6
339.05096	1.5
339.08746	15.7
340.09055	1.8
354.11111	5.9
369.13440	28.3
370.13785	2.9
517.18530	9.4
518.18622	1.5
535.19867	2.2
539.28931	2.0
583.21661	1.5
606.33801	1.0
745.27045	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	745.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81237	0.2
61.98825	0.2
65.00310	0.3
69.27991	0.2
69.99501	0.2
70.05397	0.5
70.05787	0.4
78.95918	2.8
79.95752	4.2
80.17758	0.2
91.01916	1.9
96.96025	100.0
96.97009	2.7
97.95927	0.3
104.30792	0.2
107.01381	0.5
110.35030	0.2
119.05075	1.0
125.02448	0.4
132.05812	1.1
135.00894	3.3
151.00412	1.2
152.99568	0.5
153.01967	1.5
160.86002	0.2
164.04826	0.4
177.64493	0.2
187.11307	3.3
281.24844	0.8
323.12921	5.0
323.16559	0.3
324.13367	0.4
339.12460	1.8
361.08624	0.5
379.08600	0.5
383.81409	0.2
405.17163	0.4
407.18564	0.3
421.09760	2.9
422.09888	0.3
471.10172	0.2
509.29120	0.8
656.27826	0.2
685.21423	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
57.03453	2.7
58.00604	3.6
59.01387	100.0
60.01718	1.1
61.98837	39.7
68.71130	0.7
69.03442	0.7
69.24727	1.5
69.25140	5.2
71.01392	74.5
72.01743	1.0
72.99314	6.5
73.02971	2.7
83.01411	3.5
85.02956	18.5
87.00898	4.4
87.44743	0.7
89.02455	84.4
90.02793	1.8
92.33647	0.8
93.03490	2.0
95.01398	4.3
96.96030	2.9
97.02972	0.7
98.19952	1.4
99.00890	1.4
101.02458	41.2
102.02767	0.9
113.02464	30.1
116.71490	0.6
119.03519	40.6
120.03909	1.2
121.03001	3.6
122.03754	5.1
125.02467	2.1
131.03494	4.3
133.02968	1.0
135.04524	0.9
143.03540	5.9
149.02469	12.3
149.04588	2.6
150.03249	32.5
151.03763	1.5
161.04594	5.1
162.03340	0.7
164.04881	2.9
165.05591	28.3
166.05939	2.2
167.03589	0.9
170.93546	0.8
175.03999	0.8
177.05667	1.0
179.05626	11.4
179.07048	1.1
180.04315	2.4
189.12843	0.8
191.02017	2.1
194.05771	0.8
195.06648	22.5
196.06926	1.3
209.61514	0.8
243.06815	0.8
268.07565	1.2
280.07471	1.7
283.09775	1.7
296.06900	1.8
308.07013	2.1
309.07840	1.9
311.09445	2.2
323.09235	4.0
324.06375	1.6
324.09845	1.6
338.11877	1.5
339.08768	15.6
339.12503	1.4
340.09351	1.8
354.11060	5.6
357.19592	0.8
369.13458	28.4
370.13690	3.4
517.18726	10.3
518.19427	2.3
535.19830	2.3
539.28564	4.1
540.29816	0.9
612.77948	0.8
685.40009	1.5
745.26337	2.4
746.27448	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.415
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	22.2
71.31021	11.5
78.95910	100.0
116.92839	14.1
152.99557	41.3
171.10277	12.6
211.13371	26.0
225.11269	12.5
228.58336	13.4
277.21692	25.9
281.17337	14.0
281.24921	26.4
295.22748	22.8
431.22150	14.5
447.21628	14.2
553.18817	12.5
688.51788	14.4
743.44678	73.9
744.45294	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
57.03442	3.0
59.01386	19.6
61.98840	5.2
68.99816	1.4
70.06457	2.2
70.06854	2.2
71.01391	18.4
72.99315	4.7
73.02944	3.3
75.00880	13.5
83.01394	2.3
85.02461	1.6
85.02961	23.0
85.66665	0.8
86.00082	0.9
87.00885	5.5
89.02451	5.1
95.01397	4.5
96.96031	6.6
98.20535	1.2
99.00895	7.1
101.02446	6.0
103.00382	1.0
111.00874	1.7
113.02466	13.9
115.00374	2.2
116.92918	0.9
117.01994	1.1
121.02972	1.7
122.02529	0.9
125.02450	2.2
129.01938	2.7
135.04552	1.8
147.03070	1.2
149.04556	1.1
149.05954	1.2
150.03218	1.0
157.01480	1.0
165.05566	1.4
167.03391	1.0
175.02571	1.1
191.02023	6.5
214.01474	0.9
249.06238	4.4
267.07239	1.9
286.96066	1.0
293.04675	1.3
313.24112	4.6
329.23331	1.3
331.24973	14.3
332.25119	1.1
373.18631	2.5
475.29117	3.0
476.29712	1.2
491.83682	1.1
493.30206	18.2
494.30585	2.6
509.21887	2.5
521.22034	2.5
551.18933	1.0
581.20032	1.0
581.28296	2.2
611.32544	6.4
725.36127	1.3
743.37115	100.0
744.24707	2.1
744.37360	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	743.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.2
57.03454	3.0
58.00594	0.9
59.01386	19.2
61.98833	4.8
68.99821	1.0
69.53892	3.2
71.01391	18.1
71.05013	0.7
71.54716	0.5
72.01718	0.5
72.99326	5.2
73.02966	2.8
75.00880	11.1
83.01395	2.2
84.02173	0.5
85.02959	17.4
87.00893	4.8
88.98775	1.0
89.02457	4.9
95.01398	4.7
96.96012	4.3
99.00885	7.7
101.02456	4.9
103.00376	1.0
111.00902	1.0
113.02458	13.9
115.00397	1.9
117.01939	1.2
119.03493	1.3
119.05019	0.8
122.02511	0.6
125.02474	1.3
127.11343	0.9
129.01965	1.3
134.03777	0.7
135.04495	0.5
139.00380	0.5
155.10710	0.8
157.01411	0.5
163.04063	0.9
165.05511	0.7
171.10277	2.2
175.02380	1.4
175.03790	0.6
191.01910	2.5
193.05043	0.7
195.06531	0.5
201.11272	0.7
209.02995	0.5
225.11240	0.5
231.05124	0.7
249.06219	3.8
267.07159	1.2
277.21759	0.6
295.22983	1.1
313.23917	9.2
314.24023	0.8
329.23370	1.8
331.24927	19.8
332.25204	1.8
475.28827	1.3
479.19455	0.8
493.30170	10.2
494.30374	1.7
521.21075	1.0
593.59009	0.5
725.36115	1.4
743.37128	100.0
744.37378	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	37.7
59.11037	11.5
61.98829	14.2
67.89875	10.2
71.01383	14.0
78.95872	12.7
96.96020	100.0
98.95612	21.2
101.31831	12.0
103.88604	11.8
116.92827	13.4
143.62277	12.4
148.30284	10.6
171.10286	28.1
197.11826	52.2
207.85461	14.1
209.11844	63.1
211.13451	46.7
225.11267	14.1
229.41431	15.4
234.71506	11.9
475.46127	14.1
627.81171	18.3
743.35614	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.4
59.01382	3.6
61.98818	0.7
66.04684	0.4
69.51120	2.4
71.01389	0.9
75.00833	0.3
83.01386	0.4
85.02961	5.2
93.03479	0.8
96.96009	0.5
98.20712	0.4
109.02997	0.9
111.00838	0.4
121.02937	1.3
124.01649	0.5
125.02458	6.1
129.01949	0.8
132.02194	1.3
132.03096	0.5
133.03001	1.4
134.03755	42.5
135.04131	1.5
137.02460	6.9
139.04019	2.5
145.82286	0.4
147.02998	0.5
149.02490	0.6
149.06102	15.1
150.03178	1.1
151.04013	1.7
160.01697	4.9
160.09685	0.4
161.02353	0.8
163.04004	1.1
165.01912	0.8
165.05553	1.9
167.03474	0.8
175.04002	7.3
176.04437	0.7
177.01932	2.7
178.02728	26.8
179.03117	1.3
181.05080	0.5
181.08676	0.5
191.02000	3.2
193.05074	100.0
194.05405	6.0
201.18912	0.4
203.03448	0.4
209.03046	1.3
217.05061	1.1
225.07712	12.7
226.08032	1.2
235.06076	0.6
243.03021	0.9
289.07343	0.6
294.68777	0.5
303.05203	0.4
305.06808	0.6
355.10376	14.6
356.10629	1.3
371.33453	0.4
387.12515	1.9
387.16898	1.2
405.06995	0.5
591.84082	0.5
656.90906	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03453	2.6
57.32296	0.3
58.00562	0.4
59.01385	100.0
60.01714	1.2
69.50600	1.0
69.51030	1.4
71.01385	9.9
72.99308	0.4
73.02958	3.8
75.00875	0.6
83.01398	2.0
85.02962	18.8
87.00891	0.7
89.02465	1.4
95.01414	1.1
96.95992	0.4
97.02960	0.5
99.00900	1.7
101.02448	8.8
107.04996	0.5
113.02460	4.6
113.12505	0.4
122.34653	0.3
125.02483	0.7
127.83218	0.4
129.02000	1.0
135.04564	0.5
143.03520	0.9
147.03017	1.5
149.42160	0.4
153.09193	0.7
159.02983	0.6
161.04581	6.0
161.05907	0.4
165.05618	0.7
167.03525	0.9
179.05638	0.5
191.01996	9.7
191.03645	0.5
191.07050	0.4
207.13849	0.5
209.03067	1.5
216.45912	0.4
225.14987	2.2
243.38062	0.3
269.10336	11.9
270.10748	1.1
311.11404	7.6
312.11914	0.9
355.10284	0.5
356.34262	0.4
376.60959	0.4
387.20407	2.7
447.03101	0.4
447.09039	0.4
537.14545	0.4
581.14911	0.8
743.23730	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
66.95687	1.6
71.02314	4.0
73.24606	1.6
157.07550	1.9
209.11861	100.0
210.12140	8.7
222.44513	1.9
227.12939	24.6
235.08298	2.2
253.09305	5.0
269.22491	1.7
316.77979	1.9
343.74030	2.0
392.94781	2.0
445.20773	7.4
617.69354	2.3
637.32104	3.1
640.25751	1.9
741.34943	22.5
742.34912	4.5
746.74207	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	741.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85875	1.8
57.03447	2.9
57.06465	1.7
59.01381	13.0
61.98855	2.6
64.15907	1.7
70.50199	1.6
70.66723	3.1
71.01401	5.8
71.61473	1.6
73.02959	2.2
78.95924	3.8
85.02945	2.2
87.00879	2.0
89.02466	2.5
89.11098	1.7
94.33990	1.7
97.06548	3.4
101.02452	5.0
111.08204	3.4
113.02473	2.2
115.53047	1.8
119.05025	5.0
148.47083	1.8
151.11330	11.7
152.99573	3.5
169.12346	66.0
170.12746	2.4
171.26881	2.0
180.33661	1.8
185.11923	2.1
195.10257	3.1
197.11848	22.3
198.85857	1.6
209.11812	13.9
211.13321	2.7
213.11307	7.5
214.80969	1.6
227.12962	3.6
235.08182	2.4
253.09244	4.9
269.01019	1.9
277.21698	7.4
291.19724	4.5
294.21808	2.4
295.22607	5.8
309.20737	7.5
407.18726	8.5
449.20346	4.0
505.25626	3.9
709.43365	1.8
741.40704	100.0
742.40967	24.0
744.87860	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	741.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.6
59.01385	6.9
61.98838	1.1
66.42808	1.0
69.03452	1.2
69.50537	1.1
71.01390	5.0
71.54090	1.4
78.95900	2.1
83.05050	1.1
83.99035	1.1
85.02972	1.6
87.00892	1.4
89.02460	2.5
95.05051	1.6
96.96037	1.9
97.02949	1.2
97.06607	4.7
101.02455	5.1
109.62144	1.0
111.08153	2.9
113.02469	2.0
113.41211	1.1
119.03578	1.2
119.05046	1.5
125.09726	1.7
143.03532	1.0
151.11313	17.5
152.99574	2.0
157.69464	1.1
161.04564	1.2
169.12363	73.4
170.12679	4.3
171.10329	2.2
185.11813	2.6
195.10199	3.1
197.11853	16.9
209.11858	3.1
211.13396	3.0
213.11363	10.3
235.08220	1.6
235.58141	1.0
247.20799	1.5
253.09254	5.0
253.21701	1.2
277.21692	4.0
291.19724	6.5
292.20059	0.9
293.21201	1.0
295.22650	1.0
309.20761	9.2
310.20917	1.1
341.92053	1.2
407.18518	4.6
431.19269	3.7
434.42218	1.2
434.52951	1.4
449.20416	5.2
490.95160	1.1
505.26202	2.6
718.13678	1.1
741.40704	100.0
742.41052	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.5
58.00587	0.7
59.01384	14.5
71.01389	9.3
72.99313	1.2
73.02962	1.3
74.45576	0.4
75.00874	0.9
75.39044	0.5
82.27472	0.5
83.01403	1.0
85.02960	5.5
87.00877	1.0
89.02458	5.8
95.01369	0.8
95.04970	0.7
96.96011	1.0
98.19894	1.7
101.02454	5.2
107.05017	0.7
108.02181	25.0
112.36291	0.5
113.02457	4.7
113.03200	0.7
119.03504	1.8
120.05794	0.9
123.04552	13.1
129.01944	0.8
135.04510	0.7
137.02475	0.7
143.03589	0.6
152.01163	45.1
153.01633	1.8
159.08234	0.8
160.81619	0.5
161.04601	0.9
161.09743	2.0
161.13405	2.5
162.01695	0.5
167.03508	100.0
168.03830	5.8
169.10255	0.7
179.05595	1.0
187.09615	0.8
187.11295	14.5
188.11610	1.7
189.05652	0.7
189.09224	0.8
191.01987	2.3
205.12305	3.6
209.04492	0.7
229.12352	2.2
231.10254	1.3
247.13458	0.8
249.11354	5.7
253.40146	0.5
267.12378	0.8
291.12207	0.6
311.07706	4.2
321.13702	0.7
329.08835	3.7
387.03479	0.5
393.15335	1.3
411.16693	1.8
421.15103	0.6
426.74463	0.6
517.20612	0.9
553.75116	0.5
561.19934	6.2
562.20325	1.7
573.22150	0.7
579.20789	10.5
579.30011	0.7
580.21332	1.5
597.84015	0.6
741.25732	13.6
742.26270	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	741.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.6
70.30228	3.8
71.01368	1.6
74.33170	1.0
83.01392	1.2
85.02950	3.9
109.02982	5.6
119.04987	1.5
123.04537	1.6
125.02447	2.9
133.02972	22.2
134.03757	1.9
135.04518	3.7
147.04478	1.4
149.02499	2.3
151.03992	1.8
161.02484	1.4
161.06070	1.5
163.04013	3.0
174.03203	1.7
175.03998	5.3
177.02034	7.7
177.05560	2.4
179.03519	2.0
187.04056	1.4
187.26555	1.2
189.01981	1.2
189.05402	1.3
191.02008	1.3
191.03593	2.8
201.02046	2.1
203.03468	2.5
205.01428	2.0
211.04216	1.3
213.05582	1.6
217.05110	1.9
233.04417	1.7
235.02521	1.9
239.07179	2.1
245.04633	1.9
255.06555	1.3
267.06677	1.6
269.04498	1.2
283.06110	3.0
285.04211	1.9
295.06360	1.2
297.04102	7.2
298.04852	16.4
299.02368	1.1
299.05548	7.9
309.04022	3.6
310.05002	1.8
311.05698	15.2
312.06409	17.9
313.07141	18.7
314.07629	2.4
323.05679	3.4
325.07147	2.9
327.05161	12.6
328.05295	1.2
339.05090	25.5
340.05484	3.7
341.06699	11.7
342.07083	1.4
344.05219	2.6
351.05048	3.1
353.06778	7.6
354.87476	1.2
357.06152	4.3
369.06183	81.6
370.06439	8.4
381.06235	10.7
383.07578	1.7
395.07501	1.5
397.05466	2.3
399.07239	65.3
400.07574	8.0
411.07260	10.1
429.08344	12.0
430.08380	1.9
441.08240	5.1
453.08298	2.1
459.09662	1.7
471.09479	4.7
489.10422	80.6
490.11023	10.1
501.10559	2.3
519.11523	28.4
519.19000	1.0
520.11743	4.1
531.11292	2.6
573.12579	2.8
579.13232	2.5
621.14343	6.1
622.14893	1.4
650.78973	1.5
651.15491	2.6
705.18707	1.5
723.18304	5.4
741.18878	100.0
742.19232	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	741.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89420	1.7
54.23561	2.4
57.03453	11.8
59.01388	4.8
63.06644	1.9
71.01395	8.2
71.08254	4.5
76.11874	2.0
80.18787	2.0
84.02178	3.2
85.02960	100.0
87.00882	2.3
89.02425	3.3
96.96014	11.8
101.02430	2.1
103.00417	2.3
115.98390	1.8
119.05083	2.3
126.56325	2.4
129.01956	4.6
133.01430	2.4
134.03734	2.2
147.03049	7.7
160.72849	2.0
163.04036	3.0
191.02003	48.6
209.03049	80.0
210.03354	4.0
223.04674	3.1
312.71198	2.3
352.10318	1.8
355.06671	16.7
385.07913	4.1
411.39743	2.0
439.65433	2.2
475.80273	2.4
522.65039	2.0
544.79205	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	741.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.5
57.03456	14.4
59.01388	6.6
66.00700	0.9
70.80816	3.0
71.01382	1.9
72.99329	1.5
77.48028	1.0
83.01397	2.3
84.02200	2.4
85.02961	100.0
87.00875	1.8
95.30135	1.0
96.96012	1.4
103.00369	2.8
104.68301	1.0
111.00889	1.3
119.05058	2.2
119.81821	1.0
125.91332	1.1
129.01974	7.6
133.02928	2.0
134.03761	2.1
147.03011	11.9
163.04036	2.2
182.19240	1.2
191.02000	55.2
192.02307	1.6
193.05093	1.1
205.03484	2.1
209.03064	30.5
210.03424	2.0
223.04605	6.8
247.15074	1.2
284.36194	1.1
308.11227	1.3
355.06619	7.9
385.07825	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	740.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.5
59.32430	0.1
61.98837	100.0
62.98536	0.2
64.25359	0.1
81.03439	0.1
83.05041	0.3
85.37670	0.1
125.96935	0.1
141.58528	0.1
146.03386	0.1
164.54803	0.1
374.80405	0.1
678.50409	0.3
679.50195	0.6
680.50555	2.2
681.51666	0.2
740.49182	1.3
741.36792	0.1
741.50195	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.6
61.98826	1.6
69.37251	3.7
71.01395	1.2
77.03976	3.0
78.95936	0.7
83.05016	1.1
89.02443	0.7
93.03490	0.6
96.96019	2.2
100.43304	0.5
101.02456	1.1
113.02466	0.9
121.02969	100.0
122.03307	3.7
137.02455	0.9
141.01692	0.7
152.99669	0.8
163.11320	0.7
165.01949	71.3
165.12930	0.6
166.02330	2.7
171.10330	0.8
179.05731	0.5
181.06630	2.5
181.12453	0.6
191.03517	1.3
195.13992	0.8
197.11813	1.1
209.11853	22.8
210.12210	9.4
211.13391	4.5
212.13741	2.0
213.11263	0.5
213.15094	0.5
216.24976	0.5
224.13708	0.5
225.05562	1.9
227.12834	3.2
228.13184	1.6
235.08199	1.0
239.57466	0.5
253.09337	3.3
253.21906	0.5
254.09798	0.9
275.20151	1.6
276.20474	1.4
277.21768	2.2
293.21307	9.8
294.21622	8.0
295.21860	1.3
309.20743	1.4
310.21191	0.9
313.07162	2.7
357.06216	9.8
358.06622	1.5
505.25745	1.1
549.10339	0.9
711.81970	0.6
718.22955	0.7
741.14838	5.3
742.14838	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	1.6
59.08165	0.2
59.58032	0.2
61.98838	100.0
71.01392	1.1
73.02929	0.3
78.95931	0.2
83.05037	0.3
89.02471	0.7
98.20735	0.7
101.02473	1.0
111.08196	0.5
116.92896	0.4
125.02410	0.6
183.13988	0.8
184.14256	0.5
195.13965	0.4
197.11874	1.9
198.12181	0.4
199.13461	0.4
209.11848	4.7
210.12270	0.8
211.13422	10.5
212.13788	4.0
213.14059	0.3
227.12944	1.1
229.33939	0.3
235.08270	0.7
253.09291	1.9
254.09689	0.5
277.21756	0.8
279.23477	1.0
280.23672	1.2
281.23938	0.4
291.19830	1.1
292.20065	0.7
293.21408	1.5
294.21664	1.0
295.22818	1.6
309.20737	2.4
310.21115	2.3
397.13788	0.4
398.13873	0.6
399.14154	0.9
400.14310	0.6
417.15341	0.3
418.15582	0.3
448.22858	0.5
505.26013	0.3
520.31458	0.3
531.28973	0.2
740.42706	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.6
59.01384	5.0
61.98838	10.7
69.45065	3.0
71.01398	3.2
72.99316	0.4
73.02946	0.9
78.95929	0.5
80.02685	1.3
81.03473	1.1
83.01405	0.6
83.05035	4.1
84.02177	0.6
85.02972	0.9
87.00897	1.1
89.02458	2.4
95.05003	0.6
96.96023	13.9
96.96956	0.6
97.46011	0.5
99.73081	0.5
101.02458	3.7
109.06627	0.6
111.08144	1.0
113.02465	1.7
119.03570	0.8
125.02486	3.2
125.06084	0.8
125.09706	0.4
135.08156	0.6
137.02496	0.8
161.02531	0.5
161.04611	1.2
163.11301	3.0
165.01924	0.6
165.12967	2.0
167.03526	1.4
171.10284	1.5
177.01978	1.0
179.14409	0.6
181.12428	0.7
183.13931	1.4
185.11794	0.5
191.10825	1.1
195.13956	4.3
197.11839	2.0
199.13371	1.0
209.11848	100.0
210.12148	6.3
211.13428	15.2
212.13727	1.3
220.24846	0.4
223.13309	2.9
227.10756	0.8
227.12920	12.3
228.13379	1.2
235.08266	2.5
235.17064	0.8
236.08640	0.5
240.30624	0.4
253.09300	14.6
254.09706	0.8
275.20181	7.1
277.21671	0.9
291.19681	3.1
293.21259	58.0
294.21582	5.6
309.20731	6.3
310.21057	0.8
407.18738	0.9
445.20599	1.0
447.22229	0.8
463.21808	0.7
504.95328	0.5
739.41461	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75072	1.1
59.01379	7.5
61.98847	1.0
62.89259	1.0
69.40038	8.6
70.18037	0.9
71.01395	8.6
71.05025	2.5
73.02958	2.5
78.54461	1.0
82.56396	1.0
87.00890	1.2
89.02444	3.0
95.05044	1.4
97.02950	4.8
97.06577	1.4
99.00891	12.9
101.02443	4.8
113.02449	2.9
123.08119	1.2
125.09734	6.5
128.92722	1.1
142.02707	1.7
145.10191	1.2
161.04585	2.4
162.05035	1.1
163.11281	9.2
171.10289	18.0
181.12390	14.1
192.83199	1.1
199.13411	13.0
201.11337	3.8
207.10272	31.4
215.12975	1.2
225.11346	55.6
225.13618	2.6
226.11650	2.8
235.08168	3.5
243.12476	7.1
253.07156	1.4
253.09337	7.9
277.21744	97.7
278.22104	9.6
408.01224	1.2
443.19315	2.5
461.20181	7.8
479.21881	1.2
721.41583	7.7
722.42413	1.9
739.42816	100.0
740.43066	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	739.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25341	1.9
54.39272	1.9
59.01379	10.2
61.98827	8.9
69.03448	6.0
69.31706	2.0
71.01391	36.5
73.02932	3.1
78.95906	7.5
85.02957	3.8
87.00864	3.0
89.02415	3.4
96.96012	4.4
99.00910	2.6
101.02450	4.6
109.06580	7.2
113.02482	4.2
125.09757	2.4
152.99570	5.7
155.10854	2.1
161.09731	4.1
163.11275	2.6
171.10292	24.7
179.10757	8.1
185.11714	2.7
197.11859	67.6
201.11348	15.1
207.10283	19.8
225.11357	22.7
230.18605	2.8
235.08192	4.2
241.10881	3.0
253.09296	11.2
277.21753	63.4
278.22205	4.9
279.23297	46.8
280.23715	7.2
429.20322	2.9
461.20200	3.7
721.41699	4.1
739.42664	100.0
740.43201	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.8
59.01384	10.6
61.98823	0.9
71.01376	10.6
71.05025	2.2
73.02962	1.3
83.01380	1.4
83.05040	1.1
85.02953	1.6
86.62286	0.9
87.00883	1.7
87.59617	0.9
89.02451	3.1
95.01406	1.3
96.96003	2.1
97.03003	4.5
97.06598	2.3
99.00890	14.1
101.02457	5.7
109.06590	2.4
110.03722	0.9
111.04521	1.1
113.02452	2.3
119.03483	1.1
123.08157	1.5
125.09729	6.2
127.11274	1.5
142.02753	1.0
161.04617	2.3
163.11314	8.3
171.10286	23.9
179.05559	1.9
181.12355	17.8
197.11853	3.0
199.13399	26.8
200.13742	1.2
201.11378	4.8
207.10274	40.4
208.10602	2.4
209.11876	0.9
211.13383	1.1
215.12885	0.9
225.11340	76.0
226.11693	3.5
235.08255	2.5
243.12379	16.2
253.09294	6.5
277.21747	69.1
278.22110	7.0
279.23181	1.4
443.19034	2.2
461.20410	12.2
462.20807	1.4
479.21304	3.7
493.35681	1.1
721.42047	6.7
722.42004	2.4
739.42755	100.0
740.43146	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	739.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19879	1.1
59.01379	5.3
61.98825	1.4
62.41711	1.0
71.01392	7.2
71.54688	1.9
78.95906	3.8
85.02918	1.6
87.00854	1.3
89.02425	1.5
95.01377	1.4
95.05011	1.5
96.96001	1.3
97.02947	1.6
101.02450	3.8
109.06525	1.2
110.94047	1.1
112.36839	1.2
113.02465	1.4
121.84900	1.1
125.09710	1.2
130.10992	1.2
148.55095	1.5
150.06346	1.2
152.99530	1.8
163.11356	2.6
163.86731	1.2
169.12268	1.3
171.10295	64.3
172.10562	2.4
197.11848	2.1
201.11446	1.3
207.10182	5.4
223.09731	1.4
225.09262	2.1
225.11360	23.7
226.11816	1.6
235.08263	8.4
239.02277	1.2
243.12486	1.6
253.09242	8.1
277.21747	100.0
278.19794	1.1
278.22171	10.5
279.23306	7.9
280.23761	1.6
293.21207	1.2
298.04132	1.2
346.22900	1.3
443.19016	3.8
461.20190	1.7
513.30609	1.9
658.15417	1.3
721.41510	4.0
739.41827	8.6
740.42871	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	739.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.0
59.01387	80.7
59.81931	4.5
61.98840	46.3
71.01392	50.4
71.54430	5.8
73.02950	18.4
78.95915	9.2
79.44483	3.8
82.00291	3.5
83.01417	10.3
85.02961	26.3
89.02441	11.9
94.92490	3.8
95.01416	7.3
96.96007	22.7
99.00878	7.3
101.02441	31.4
113.02447	23.2
114.02882	4.1
117.81925	3.7
125.02457	9.3
161.04549	7.0
198.50868	3.9
209.11855	19.0
217.44008	3.9
225.11320	13.3
279.23462	5.2
280.23703	4.1
288.49146	4.9
357.76514	3.9
453.93875	4.0
473.34988	5.4
491.35861	10.0
635.40082	100.0
636.40509	17.7
653.41266	75.4
654.41412	11.5
695.41968	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	739.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	5.4
57.03439	4.7
59.01387	69.7
61.98839	27.8
65.53056	2.1
67.29373	2.0
69.03467	4.6
70.84961	5.0
71.01391	40.3
72.99325	3.0
73.02952	10.9
78.95885	5.4
83.01399	10.4
85.02959	25.7
87.00871	5.2
89.02473	10.2
95.01409	6.0
95.94847	1.9
96.96043	16.7
97.02972	3.7
99.00903	5.3
101.02467	29.5
102.02783	2.5
111.00900	3.4
112.01707	3.2
113.02467	23.0
119.03551	2.5
125.02453	9.6
137.36667	1.9
141.12914	1.9
143.03506	6.4
152.99721	2.1
159.03049	2.5
161.04591	6.0
171.10326	2.1
174.58556	2.3
187.62509	2.3
194.21622	2.5
209.11835	15.7
211.13364	14.6
227.12894	3.3
232.17062	4.1
233.11609	9.1
249.11121	2.6
329.30530	3.7
397.50888	2.2
473.34787	6.3
491.36020	10.1
541.99438	2.4
599.38501	2.6
635.29431	4.7
635.40106	100.0
636.40332	22.3
653.41241	83.4
654.41425	16.1
695.42462	16.0
696.41681	2.9
701.47052	2.5
740.38495	6.3
767.32251	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	739.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27968	5.5
53.36285	4.8
59.01378	12.4
61.81128	4.9
61.98835	100.0
69.53851	29.0
69.54256	11.8
71.01379	8.6
73.33267	5.7
78.95947	4.7
80.96503	7.8
82.73171	5.0
83.05029	6.0
85.02945	12.2
88.98799	23.5
89.02453	8.1
96.96027	31.3
101.59995	4.7
108.54897	4.7
113.02386	7.1
119.03488	4.8
153.85768	4.9
171.10225	7.4
207.10313	7.4
209.11853	61.5
210.12115	5.3
211.13393	6.7
225.11333	17.7
227.12953	10.4
234.78252	5.4
272.83646	5.1
279.23389	5.9
303.15857	6.4
318.93771	5.4
409.20129	9.8
461.20215	15.0
490.34116	5.2
653.31458	22.1
671.32623	13.3
739.32599	39.4
740.32642	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	739.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66070	3.3
59.01392	12.5
61.98837	100.0
63.24390	4.2
69.39536	3.1
71.01389	9.2
75.00908	3.3
78.95914	5.3
85.02965	4.3
90.38712	3.8
96.96039	12.6
101.02437	7.3
107.41688	3.8
109.06632	5.1
118.26421	4.0
145.18633	3.9
146.47357	3.1
156.60313	3.8
163.11372	6.5
171.10349	5.2
196.19475	3.3
207.10313	24.0
209.11871	44.3
223.13400	5.9
225.11342	17.2
227.12912	11.2
253.09268	5.6
312.38422	4.1
461.20090	7.2
635.30780	18.1
635.40161	5.4
653.31982	22.2
654.32037	4.7
671.32959	32.8
672.33557	4.5
739.32843	16.2
740.35468	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	739.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.3
59.01123	2.7
59.01392	39.3
71.01389	16.0
71.54494	2.1
72.99295	4.1
75.00871	10.4
85.02969	14.7
87.00887	5.1
89.02445	9.1
95.01399	3.7
96.96001	2.8
99.00882	6.1
101.02452	4.7
101.06094	71.6
102.06445	2.1
113.02459	17.1
115.00365	2.9
119.03512	2.5
129.01976	1.5
130.31390	1.3
153.80000	1.3
163.04118	1.2
163.11292	23.1
164.11598	3.2
175.02434	3.2
189.03258	1.2
231.05305	1.9
249.06192	10.3
296.06708	1.7
333.11481	1.4
351.13000	94.7
352.13309	9.8
353.06567	2.3
387.16653	100.0
388.17023	14.0
532.97491	1.5
563.18701	1.5
739.20892	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	739.189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.8
57.03452	14.8
59.01385	4.1
62.03290	0.5
68.99825	0.7
71.01372	5.5
71.34037	0.5
71.55053	0.9
72.99332	1.8
75.00872	1.6
83.01392	4.4
83.01820	0.6
84.02177	2.3
84.72147	0.6
85.02957	100.0
86.03298	1.8
87.00415	0.7
87.00865	3.7
89.03975	1.4
91.13845	0.6
96.96032	3.0
99.00900	1.1
101.02491	1.2
101.04413	0.5
108.02180	0.7
111.00909	9.0
113.02473	0.6
117.03472	4.4
117.20928	0.6
119.05035	1.5
123.04576	1.1
125.02434	1.2
129.01955	49.4
130.02292	1.0
134.03754	59.5
135.04045	3.3
146.26550	0.5
147.03006	18.3
148.03455	0.7
149.06062	6.1
159.04530	0.6
160.01663	1.5
163.03984	2.7
173.00929	19.2
173.02342	1.3
174.01118	0.7
174.03252	3.4
175.03963	2.0
178.02684	3.5
191.01994	24.4
192.02391	1.2
193.05070	69.1
194.05385	3.6
202.02728	1.6
212.64610	0.7
214.02652	0.6
215.03362	0.9
229.04961	1.0
262.06097	0.9
263.07205	0.7
265.04807	0.7
267.06738	1.5
277.05090	0.7
279.06595	1.1
290.05667	0.7
293.04382	1.1
304.07425	0.9
305.04364	0.7
308.07065	0.7
309.07623	0.7
323.08124	2.0
330.23001	0.7
335.09424	1.2
338.07910	1.2
341.10580	1.1
353.10330	9.4
354.10693	1.0
367.06711	13.7
368.07190	1.6
421.12997	1.4
483.13159	1.2
501.14075	8.9
502.14545	1.7
563.14325	1.1
739.34662	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06866	0.1
58.00572	0.1
58.05816	0.1
59.01390	0.9
61.44553	0.1
61.98838	100.0
62.98520	0.1
69.03474	0.1
71.01390	0.9
73.02976	0.1
83.05054	0.2
87.00890	0.3
88.65075	0.2
89.02470	0.5
96.96043	0.5
101.02476	0.6
113.02517	0.3
119.03498	0.2
124.09657	0.1
125.02456	0.3
152.47336	0.1
163.11334	0.2
165.12904	0.2
167.03560	0.2
183.13834	0.1
195.13922	0.2
209.11861	6.0
211.13441	1.2
227.12837	0.6
234.20181	0.1
235.08267	0.4
253.07135	0.2
253.09283	0.8
265.49271	0.1
275.20343	0.4
277.21765	0.6
278.22034	0.6
279.22888	0.5
291.19809	0.2
293.21231	3.0
309.20782	0.4
397.13687	0.4
398.14050	0.6
399.14154	0.8
400.14365	0.4
415.14740	0.2
417.15158	0.3
418.15439	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82146	4.1
59.01385	36.0
61.98838	100.0
71.01375	14.5
71.53851	4.4
71.54253	6.0
80.96525	21.1
83.01398	4.2
85.02955	8.3
87.00852	9.1
89.02477	6.4
94.98105	4.4
96.96012	24.4
99.19157	4.5
101.02460	16.3
113.02467	8.4
125.09747	23.2
133.05086	4.4
145.05063	4.0
160.73238	3.5
164.98489	3.8
203.98444	3.7
209.11801	16.0
211.13419	7.7
225.00751	7.1
233.11552	11.7
244.17128	18.0
270.18539	12.1
279.23260	11.0
314.17569	4.0
359.05142	4.4
370.27411	5.7
414.26379	5.0
432.27396	9.0
440.28299	7.8
458.29044	15.7
469.71243	4.0
569.65009	5.1
694.34290	31.8
695.34045	6.6
738.38379	82.2
739.38275	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.4
60.80743	0.3
61.98838	100.0
69.93188	1.3
71.01394	1.1
71.99918	0.3
78.95934	0.6
79.95741	0.3
82.95443	0.6
85.02985	0.4
93.92087	0.3
96.96040	2.8
98.19974	0.5
98.74515	0.3
101.02460	0.4
109.06659	0.3
113.02524	0.4
125.02467	0.6
171.10289	0.8
209.11920	1.4
225.11378	0.5
557.61157	0.4
634.39642	0.5
652.39917	0.6
738.31580	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32586	0.1
59.01388	0.7
60.01731	0.1
61.01830	0.1
61.98837	100.0
62.98544	0.2
67.90254	0.1
69.47910	0.5
71.01400	0.7
72.99324	0.1
73.02983	0.1
73.37238	0.1
73.76781	0.1
76.15659	0.1
78.95929	0.2
83.01442	0.1
85.02972	0.1
89.02442	0.5
95.76363	0.1
101.02489	0.4
102.02760	0.1
108.38416	0.1
113.02469	0.2
119.05075	0.1
125.02465	0.3
149.19194	0.1
152.99600	0.1
161.04616	0.1
166.94974	0.1
177.01900	0.1
209.11867	0.5
211.13414	0.2
225.11433	0.1
227.12950	0.2
235.08246	0.2
253.09389	0.1
277.21674	0.5
278.22131	0.6
279.22797	0.4
280.22681	0.1
293.21359	0.2
300.19162	0.1
336.56815	0.1
345.50439	0.1
397.13541	0.4
398.14075	0.6
399.14175	0.9
400.14447	0.5
407.18741	0.3
415.14615	0.1
416.14999	0.3
417.15384	0.3
418.15735	0.2
746.81549	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	13.4
60.44782	8.4
64.83537	9.0
65.49705	10.2
78.95957	11.5
86.97313	8.7
89.76079	9.3
97.61685	9.3
208.86049	9.5
209.11858	52.3
227.12819	14.0
253.42941	9.5
255.23331	100.0
277.21664	24.7
279.23218	45.2
383.91904	9.8
737.42328	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64600	0.2
56.94481	0.3
57.09499	0.2
58.02986	0.3
59.01387	15.1
71.46047	0.2
80.05074	0.3
81.03468	5.2
83.05037	15.3
84.05392	0.3
94.05634	0.2
107.06173	0.2
108.04565	0.7
125.07218	0.8
125.75251	0.2
126.05598	0.5
143.08249	0.3
171.00711	0.3
173.30121	0.2
207.15140	1.1
214.44566	0.2
224.17656	1.8
225.16100	11.9
226.16423	0.8
242.18752	0.7
284.63528	0.2
309.21719	0.6
324.26523	0.7
333.23029	0.7
341.29224	0.7
367.27213	1.2
433.32022	1.2
450.34491	1.1
451.32941	6.8
452.33231	0.9
548.63715	0.3
550.43475	0.9
559.40155	0.3
565.44751	0.4
593.43982	0.8
659.49060	1.9
660.49219	0.4
677.49744	100.0
678.50037	27.2
678.62286	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.6
55.81097	0.7
57.03456	1.1
58.37362	0.6
59.01389	5.0
69.03466	4.2
69.31131	2.4
69.31560	2.3
71.01389	5.0
71.05026	1.1
72.99309	0.8
73.02976	0.9
83.01416	0.5
83.05041	0.8
84.74463	0.5
85.02964	1.3
89.02453	1.6
89.34412	0.6
95.01328	0.5
97.02910	0.6
97.06624	0.6
98.20719	1.2
101.02451	3.0
113.02448	1.7
114.10483	0.5
123.08164	1.6
125.09726	2.1
151.11282	2.4
153.12839	1.3
161.04605	1.0
161.09724	3.9
168.07213	0.5
169.12314	1.6
179.10789	7.1
197.11848	43.3
198.12157	2.1
223.09782	1.9
241.10820	2.1
253.09265	2.5
277.21744	51.8
278.22113	5.2
477.19678	1.3
597.02692	0.7
737.41223	100.0
738.41559	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
57.03452	1.1
59.01387	6.5
61.98823	0.8
68.29315	0.4
69.03473	4.3
70.02684	1.1
70.03074	0.9
71.01389	6.2
71.05037	2.0
72.99324	1.1
73.02953	1.0
80.28378	0.4
83.01424	0.8
83.05071	0.6
84.09978	0.4
85.02975	1.5
85.65546	0.4
87.00874	1.0
89.02448	3.0
95.01431	0.4
97.06631	0.8
99.00896	0.4
101.02451	3.6
109.86366	0.4
110.49844	0.4
111.04546	1.0
113.02460	2.8
119.03489	0.8
123.08183	1.2
125.02473	0.6
125.09750	1.4
133.05081	0.4
137.09734	0.7
148.48628	0.4
151.11363	2.0
153.12907	2.0
161.04553	0.9
161.09764	3.4
169.12364	1.2
171.10286	1.2
177.09338	0.5
179.05644	0.6
179.10799	8.1
180.11252	0.6
185.09694	0.4
185.11700	0.7
197.11862	89.6
198.12198	6.0
205.08737	2.2
223.09781	5.3
225.11340	0.6
235.08275	1.0
241.10844	4.3
253.09294	3.3
259.20944	0.5
275.20242	0.6
277.21750	33.7
278.22137	3.4
279.23294	0.7
459.18814	1.6
477.20038	3.6
682.28351	0.5
719.40308	1.7
720.40289	0.7
737.41229	100.0
738.41534	24.2
749.15924	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	11.6
61.98841	12.7
62.32425	2.3
63.72998	2.0
71.01382	14.0
71.54028	2.4
72.99300	5.6
75.00877	8.5
75.67549	2.5
78.95900	6.3
85.02966	14.9
87.00893	5.9
88.80007	2.2
89.02408	2.2
95.01396	3.4
96.96044	3.4
98.55855	2.4
99.00888	7.7
112.42353	2.1
113.02458	13.6
117.01948	2.9
165.12872	4.6
183.13924	74.9
184.14059	2.6
209.11713	3.5
227.12895	4.1
277.21759	34.4
278.22198	3.1
279.23282	12.6
293.21445	4.4
459.68149	2.4
520.53943	2.6
561.36829	2.8
579.37592	2.9
675.40894	5.4
737.41180	100.0
738.40924	23.1
738.51617	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	737.412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	1.1
59.01390	6.5
61.98829	1.1
71.01390	4.1
71.53954	1.1
78.95930	0.9
80.02717	1.2
80.45404	0.7
81.03474	1.3
83.05033	5.2
84.02181	1.3
85.02974	1.8
89.02448	3.4
95.05039	1.7
97.02930	1.3
97.06606	0.9
99.00873	0.9
101.02457	4.3
109.06600	3.8
109.72598	0.7
111.08179	7.3
113.02464	3.1
119.05034	0.8
127.86228	0.8
145.05139	1.0
161.04549	2.2
161.09756	0.7
163.11333	4.8
165.12863	2.7
167.10805	1.7
171.10324	1.6
177.12852	2.0
179.05719	1.1
179.10768	1.7
191.10779	1.0
195.13914	5.9
207.10269	11.2
209.11850	98.6
210.12155	6.0
211.13535	1.3
223.13336	0.9
225.11375	4.7
227.12927	15.6
228.13281	1.6
235.08189	4.3
237.62395	0.7
247.20697	1.4
253.09306	14.6
273.18637	2.0
277.71817	0.9
279.23349	1.7
291.19696	100.0
292.20029	11.7
293.21274	12.5
296.17157	0.8
329.21292	1.1
413.02502	1.9
461.19769	1.4
501.32715	0.9
527.28522	6.5
528.29187	0.9
719.39825	0.9
737.41425	5.4
738.41187	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61206	1.1
55.33316	1.3
57.03444	3.7
59.01384	8.8
61.98839	49.2
71.01395	6.8
71.54787	1.5
73.02948	2.0
75.00875	4.2
78.91898	1.9
79.95698	1.4
81.03461	1.4
83.05047	3.4
85.02963	14.9
85.21416	1.2
87.00856	1.2
88.87617	1.1
89.02473	2.1
96.96028	12.1
101.02450	2.1
113.02442	1.8
119.05038	2.2
129.01920	3.4
147.03041	1.5
163.11266	3.6
169.12317	1.3
171.10266	3.1
191.01978	12.7
207.10472	1.3
209.11847	100.0
210.12198	6.4
218.92273	1.1
227.12947	16.3
245.98051	1.2
253.09314	5.5
271.02448	5.7
299.01962	8.3
314.04352	10.7
315.04727	1.6
329.06656	19.4
330.06927	1.9
383.24170	1.5
407.18692	10.9
445.20984	2.3
575.26996	4.4
651.39655	2.5
737.31390	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	2.5
57.42700	1.6
59.01387	39.5
59.52853	1.5
60.22709	1.7
60.99320	3.7
61.98836	2.2
63.44660	1.9
64.11769	1.7
66.23079	1.5
69.03452	2.7
70.68771	3.5
71.01395	30.8
73.02958	4.0
74.51609	1.7
81.03457	2.9
83.01411	4.1
85.02960	8.0
87.00902	5.7
88.98815	17.2
89.02457	25.3
97.02965	4.6
99.00901	2.7
101.02467	25.1
102.45573	2.1
102.98347	1.7
104.46044	2.0
113.02467	12.1
119.03509	10.2
125.02483	12.7
125.09733	1.6
131.03502	2.0
138.60344	1.8
141.01711	9.6
143.03494	3.9
161.04541	6.1
163.11348	2.5
171.10255	2.7
179.05663	6.0
183.14009	2.4
196.37485	1.6
207.10278	5.0
209.11900	13.6
211.13403	10.9
218.26627	1.7
223.09639	1.9
225.11281	12.2
226.11690	2.2
227.12932	2.3
235.08299	11.2
253.09282	5.1
277.21808	1.8
279.23325	89.9
280.23697	7.9
289.18179	2.7
291.19684	12.7
293.21289	6.6
305.08868	4.4
307.19162	2.9
322.17728	1.8
397.13547	100.0
398.13962	10.3
413.26410	1.8
414.23874	1.7
415.14597	29.4
416.15167	3.1
440.16626	1.7
461.20410	2.1
470.12439	1.7
488.36887	1.7
501.83258	2.0
668.35107	1.8
677.37598	3.0
737.40967	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	737.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.3
61.98838	100.0
69.86591	7.4
69.87008	13.9
71.01381	9.2
76.01550	4.2
78.95913	4.7
80.96492	4.0
96.96028	9.5
113.02442	5.1
113.92854	3.9
197.11845	61.3
209.11861	49.9
211.13306	7.1
223.13394	25.8
227.12950	5.9
253.09384	9.1
368.55923	4.5
433.20959	7.3
433.52271	4.9
459.22525	8.3
533.03204	4.6
601.46106	4.3
603.81763	4.4
737.35376	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	737.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51675	1.1
55.21169	1.4
57.03446	1.2
59.01383	9.2
61.98833	37.2
63.96216	1.1
69.03435	1.5
71.01383	11.7
71.08598	1.2
71.08913	1.1
73.02936	4.0
74.53632	0.9
78.98598	7.2
79.95746	12.1
80.96526	76.0
83.01389	1.6
85.02953	4.4
87.00884	4.7
89.02467	1.3
94.98092	18.2
95.98510	0.9
96.96023	13.2
97.02951	1.2
97.06625	1.3
99.00875	1.4
101.02475	5.5
106.98078	2.6
113.02463	2.8
119.03510	1.1
122.97569	3.8
125.02481	5.4
125.09757	5.7
127.04012	1.2
134.97603	6.9
136.99164	1.7
148.99152	7.0
152.98639	7.4
157.66972	1.0
159.97185	1.0
161.04535	1.4
164.98648	16.0
165.12875	2.4
171.10318	1.2
174.18443	1.2
183.13907	8.2
197.11865	2.2
206.99635	4.7
209.11784	3.9
209.44415	1.1
225.00761	25.4
235.08385	1.1
244.17101	4.2
270.18579	2.5
432.27347	1.8
440.27399	1.6
458.29291	1.9
509.16751	2.8
626.49670	1.3
633.38843	1.5
694.34381	8.5
737.30646	100.0
738.36389	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	737.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00483	0.6
55.01871	0.8
57.03442	2.6
58.00615	0.8
59.01385	29.5
61.98589	0.5
61.98840	6.9
67.01865	1.3
68.99847	1.5
69.03457	0.7
70.86291	1.4
70.86634	0.7
71.01389	25.6
71.01785	1.3
72.99325	5.8
73.02956	7.7
75.00877	11.6
81.03432	1.1
83.01396	2.7
85.02957	16.4
87.00888	10.4
88.98811	0.7
89.02447	6.7
93.03477	0.7
95.01392	3.6
96.96022	10.2
97.02957	0.9
99.00893	7.6
101.02464	8.8
103.00380	1.0
103.77950	0.6
111.00823	0.7
112.01681	0.8
113.02459	16.1
115.00356	1.2
117.01906	1.4
119.03526	1.2
119.05035	5.5
121.02911	0.7
125.02409	1.8
129.01913	2.2
130.24928	0.6
137.02463	1.0
143.03558	0.9
155.47055	0.7
157.01317	0.8
163.03979	3.5
167.03525	1.1
169.08673	0.9
175.02446	1.2
176.84827	0.7
179.05721	0.7
187.11342	0.8
201.11278	0.9
204.47398	0.6
205.07216	0.7
209.11816	3.9
215.12825	0.8
221.15500	4.5
239.16563	2.7
249.06198	7.4
267.07266	1.9
383.20697	4.0
401.21765	6.3
402.22119	1.4
431.44211	0.7
443.22806	4.3
575.21533	2.4
576.21991	1.0
651.28864	1.7
675.28973	1.5
687.31763	0.9
693.29755	100.0
694.30151	19.2
705.33728	3.4
737.36475	3.8
738.36273	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58195	1.0
55.97081	1.3
57.03453	7.0
59.01383	19.3
61.98833	1.8
67.01878	1.8
68.99802	3.6
69.03461	2.9
71.01025	1.8
71.01392	30.2
71.54116	1.8
72.99310	3.1
73.02941	2.4
75.00881	13.8
78.59663	1.2
81.03453	1.9
83.01373	1.4
83.10249	1.1
85.02965	31.3
87.00882	9.5
89.02458	5.5
91.04026	1.9
93.03472	1.2
95.01389	6.1
96.96031	8.3
99.00884	9.2
99.04501	3.4
101.02440	1.9
103.00412	2.0
103.04069	1.2
111.00876	2.4
112.01635	1.2
113.02467	36.4
115.00408	1.5
117.01944	2.6
119.05055	2.4
121.02930	1.2
125.02472	7.9
129.01958	3.7
133.10205	2.0
135.10954	1.3
135.11810	7.4
137.02498	1.5
143.08722	1.7
146.07321	1.3
149.02518	1.2
151.04034	2.9
157.01439	1.4
161.09746	15.9
163.04022	1.5
177.01915	4.4
177.98065	1.4
179.10803	26.4
203.45822	1.1
205.07117	2.8
205.08850	1.3
208.30084	1.2
249.06149	10.0
263.07797	1.8
267.07239	20.3
281.08853	8.6
300.57739	1.6
305.06683	2.4
411.16544	3.6
447.09058	2.1
455.15674	4.4
457.13040	1.3
469.17203	3.9
473.17899	2.6
518.62836	1.3
547.20013	6.0
561.22009	3.0
705.23407	2.4
719.24011	2.1
737.25195	100.0
738.25519	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	736.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.2
59.01381	0.5
61.98839	100.0
65.20074	0.1
71.01397	0.5
71.54639	0.2
85.02988	0.3
87.00903	0.2
96.96027	0.7
98.85603	0.1
99.00912	0.6
101.02450	0.2
113.02461	0.2
136.26341	0.1
164.86650	0.1
171.10339	0.2
197.11885	0.3
209.11935	0.8
225.11343	0.2
227.13196	0.1
253.09546	0.2
449.92758	0.1
462.21521	0.1
737.34216	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.9
59.48416	0.2
61.98838	100.0
62.98550	0.2
70.40185	0.2
71.01398	0.6
73.02948	0.2
78.95914	0.3
79.95741	0.3
82.82069	0.2
85.02978	0.4
86.20660	0.2
87.00902	0.3
89.02470	0.3
96.96034	1.2
101.02488	0.4
112.41785	0.2
113.02494	0.3
116.92881	0.7
117.92947	0.2
125.02499	0.2
161.04588	0.2
178.12396	0.2
183.43932	0.2
191.02138	0.2
197.11977	0.2
201.11409	0.2
206.74474	0.2
209.11916	1.4
210.12267	0.2
220.43999	0.2
227.12997	0.3
255.86961	0.2
737.31854	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92369	1.8
59.01389	9.5
61.98832	4.4
70.43636	1.8
71.01403	9.1
78.95934	2.6
83.05030	2.3
89.02452	4.5
91.98921	1.5
101.02473	3.9
113.02460	3.8
127.39875	1.6
161.04568	2.5
171.10335	1.9
177.12863	14.9
195.13925	100.0
196.14232	7.5
221.11873	15.4
235.08266	4.8
239.12891	11.8
245.00990	1.9
253.09290	5.7
255.23334	5.5
277.21735	44.1
278.22079	5.6
304.30002	1.8
457.20834	4.0
475.21545	8.9
636.82544	1.8
735.43304	89.8
736.43671	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4337
Annotation	Nonactin
Peak:m/z	Relative Intensity
59.01371	7.8
61.98830	4.2
65.63876	2.1
71.01396	8.3
71.54296	2.3
78.95894	2.7
85.02957	3.3
86.48605	1.9
89.02496	2.6
101.02438	5.3
113.02473	3.1
116.92847	3.0
177.12869	21.2
195.13919	66.8
196.14273	4.8
221.11835	5.4
239.12883	8.0
253.09332	5.1
277.21762	75.8
278.22046	7.2
284.28513	2.0
346.57242	2.2
419.46072	2.2
455.35495	3.6
456.35852	3.3
457.20746	2.9
475.21527	3.7
532.63770	2.2
612.16351	2.1
735.43353	100.0
736.43494	24.7
760.17200	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	735.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	10.2
61.98838	100.0
71.01386	17.1
71.54382	2.1
73.02958	3.9
78.91908	2.6
83.01386	3.4
83.05033	5.8
84.02190	2.1
85.02960	6.1
88.98853	1.8
89.02477	4.7
89.33664	1.7
93.48369	1.7
96.96010	7.4
97.02953	2.8
101.02431	5.9
109.06574	3.8
113.02438	5.1
116.92867	4.3
125.09692	2.9
161.04518	2.4
163.11272	7.0
165.12880	2.1
171.10289	22.9
197.11850	43.5
198.12128	2.5
201.11328	13.0
207.10310	22.1
209.11842	87.9
210.12119	5.5
211.13428	2.2
225.11357	18.5
227.12881	6.5
235.08223	4.6
239.12918	10.2
239.14957	1.7
253.09271	15.7
273.17099	60.8
273.20056	3.6
274.17441	3.7
352.63629	1.7
445.20853	2.5
461.20502	2.8
625.31781	2.3
699.10864	2.1
717.37482	2.4
735.37891	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	735.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42325	0.3
53.69158	0.3
57.03444	0.8
57.12180	0.4
59.01390	5.4
61.98827	0.6
69.03458	1.8
71.01396	3.9
71.05026	0.8
71.54430	0.7
73.02967	0.5
83.05046	0.6
85.02944	0.7
85.06606	0.6
87.00868	0.4
88.08472	0.4
89.02451	2.8
101.02468	3.4
102.84737	0.4
109.06618	0.9
111.08185	0.5
113.02455	1.3
119.03485	1.0
125.02437	0.5
125.09788	0.5
129.40866	0.4
149.09764	0.4
161.04568	1.6
167.10799	2.3
171.10295	0.4
176.49014	0.4
177.12906	0.7
179.10797	1.3
179.14417	3.3
195.13921	15.5
196.14238	1.4
205.12354	9.1
206.12764	0.6
221.11720	0.5
223.13412	100.0
224.13773	7.2
225.14897	0.6
231.21185	0.4
235.08249	4.1
239.12863	0.4
253.09297	16.6
254.09669	0.6
256.13153	0.9
275.20160	4.6
276.20596	0.5
277.21606	0.5
290.11856	0.4
293.21262	78.5
294.21588	8.0
459.22424	9.7
460.22800	1.1
499.34500	0.9
529.30353	1.0
735.42950	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37819	2.2
53.28587	2.0
56.00743	2.1
59.01388	19.8
61.98834	23.4
63.99267	2.4
70.02677	1.9
71.01388	19.2
71.53667	3.6
72.99303	6.1
75.00880	15.8
83.05034	3.0
85.02956	21.6
87.00868	5.7
95.01361	3.7
99.00902	11.3
100.38638	2.3
103.00391	2.1
103.99013	2.2
113.02456	20.5
125.97067	2.1
152.99658	2.6
197.11853	2.2
201.11328	20.3
207.13184	2.0
209.11794	19.5
210.53040	2.0
249.06192	4.0
255.23331	82.8
256.23639	6.7
353.37796	2.2
689.41138	10.6
715.42792	58.6
716.43298	12.0
733.43890	100.0
734.43982	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09492	0.2
59.01381	0.6
59.68832	0.1
61.98837	100.0
66.77167	0.2
71.01395	0.2
75.00926	0.2
78.95934	0.3
87.84341	0.1
96.96035	0.5
98.19878	0.3
101.02437	0.3
113.02541	0.2
116.92905	0.1
147.01144	0.1
163.11218	0.2
197.11887	0.6
201.11357	0.2
208.77252	0.2
209.11861	1.4
210.12180	0.2
211.13417	0.4
225.11383	0.3
227.12984	0.2
229.18336	0.3
239.13078	0.2
500.89755	0.2
734.37909	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
57.03452	1.3
58.00593	1.6
58.46328	1.1
59.01388	100.0
60.01709	1.4
61.98837	44.2
67.01925	1.4
69.03477	1.7
71.01392	40.0
71.54852	2.0
72.99298	3.2
73.02959	10.9
78.95888	1.5
81.03503	1.4
83.01402	4.8
85.02959	18.5
87.00877	3.8
88.98815	1.7
89.02454	17.5
95.01405	5.5
96.96024	46.3
97.02964	2.9
99.00889	3.0
101.02463	17.7
105.69583	1.4
113.02472	27.5
113.13088	1.1
119.03487	6.7
124.01685	2.1
125.02480	6.1
135.12120	1.2
143.03522	6.1
161.04584	5.1
163.11267	1.3
171.10304	8.8
179.05664	3.0
207.10326	3.1
209.11905	3.8
224.41754	1.2
225.11354	4.3
253.09160	1.7
273.17169	9.4
350.17514	1.2
383.24399	2.0
496.29465	1.3
499.14697	1.2
509.27515	1.5
527.28583	10.7
528.28888	1.5
545.29736	52.3
546.30212	8.9
563.30786	21.2
564.30902	4.0
567.54901	1.4
587.30811	6.2
588.31934	1.3
605.31934	15.1
606.32092	2.0
649.38031	1.5
717.34613	1.4
735.35992	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43182	1.5
59.01385	26.7
66.33485	1.6
69.85271	8.0
71.01390	52.9
73.02947	1.8
83.53378	1.5
85.02923	2.3
87.00881	1.7
89.02462	3.2
92.05005	1.5
96.96004	2.0
97.02968	2.9
99.00891	3.5
101.02458	4.6
103.95630	1.6
109.06598	8.0
113.02492	1.7
138.75436	1.6
155.46658	1.5
161.04582	1.8
163.11304	6.8
165.12776	1.8
171.10272	5.5
181.12422	2.0
183.13875	9.7
185.11780	2.2
193.12415	1.8
199.13409	3.6
201.11310	4.3
207.10269	29.1
208.10542	2.3
209.11823	18.4
211.13417	100.0
212.13747	7.1
225.11305	18.3
225.69298	1.9
226.11774	2.2
227.12894	16.0
235.08224	5.7
253.09253	10.6
267.12115	1.4
313.86258	1.7
373.23871	2.6
401.23270	6.6
419.24442	3.5
443.18906	2.3
447.22458	2.8
461.20474	5.4
463.22116	2.0
637.32483	6.1
638.32043	2.1
655.33282	12.3
656.33722	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	733.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.6
57.03200	1.0
57.03456	12.6
59.01388	6.7
68.99831	0.7
70.82626	1.6
71.01389	5.1
72.99339	3.2
75.00876	1.7
83.01385	1.9
84.02171	2.8
85.02959	100.0
86.03292	1.8
87.00893	1.6
89.02442	1.0
98.19974	0.6
103.00408	1.5
115.00386	0.9
119.05006	4.8
120.05303	0.6
129.01967	3.4
133.01445	1.4
141.01707	3.1
145.02977	1.3
147.03003	12.1
154.99606	0.8
163.04031	5.7
167.03508	1.0
173.00862	1.0
185.02226	0.9
191.01996	49.3
192.02408	1.9
209.03050	28.3
210.03229	1.1
213.00183	15.8
231.01256	7.5
273.00940	0.9
333.06003	3.2
337.05682	2.0
355.06747	16.6
356.07086	1.2
359.03992	1.1
364.91711	0.6
376.48505	0.7
377.04922	22.1
378.05161	2.1
405.02979	1.0
551.05957	1.1
569.07410	1.7
715.10779	0.7
746.56207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
57.03446	1.5
59.01386	100.0
60.01711	1.8
60.96152	0.8
61.98836	5.6
70.94936	1.8
71.01392	44.1
72.99313	2.8
73.02952	16.8
75.00881	1.2
81.03427	0.9
81.63654	0.8
83.01402	6.3
85.02959	13.3
87.00890	3.0
89.02457	21.8
93.46162	0.7
95.01392	4.8
96.96017	3.2
97.02946	1.3
99.00876	2.8
101.02455	23.3
105.59479	1.0
113.02464	33.0
119.03523	9.3
125.02461	4.0
131.03506	2.6
143.03532	5.2
149.04584	2.4
155.03537	1.4
161.04568	10.8
177.92815	0.8
179.05594	6.2
265.18686	0.8
271.67328	0.8
285.04053	1.3
289.59378	0.8
325.87164	0.7
349.96912	0.9
498.68073	0.8
525.27124	5.7
535.30389	1.3
543.28131	26.3
544.28308	4.9
561.29309	13.7
562.29553	1.7
585.29199	3.4
586.29218	1.1
603.30194	7.5
604.30853	1.7
641.84290	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95330	0.9
55.01876	1.3
57.03450	1.6
58.00611	1.7
59.01387	62.2
61.98841	13.3
64.34218	0.9
69.03490	1.1
70.86167	2.2
71.01390	39.8
72.01765	0.9
72.99312	2.9
73.02966	5.1
74.97995	1.0
75.00860	1.1
79.95734	2.9
81.03487	1.1
81.95380	2.0
83.01387	3.7
84.54279	1.0
85.02969	12.6
87.00880	3.7
89.02453	26.1
95.01390	3.4
95.04498	0.9
96.96026	100.0
97.02995	1.0
97.95963	2.6
98.95596	51.1
98.96422	8.3
99.00886	1.9
99.92570	1.5
101.02456	22.0
107.34887	1.0
113.01717	1.6
113.02462	19.3
116.92883	6.2
119.03508	9.4
124.01644	1.0
125.02433	3.6
127.70863	1.0
131.03535	1.0
139.18915	0.8
141.71613	1.0
143.03505	3.5
149.04541	1.4
156.26031	1.0
161.04550	4.3
179.05658	3.0
209.11900	1.7
363.59186	0.9
374.59738	0.9
444.82626	1.1
465.28482	1.3
483.29785	3.5
573.11456	1.4
598.29730	0.9
627.33923	61.4
628.34125	12.3
633.27863	1.2
645.34973	34.0
645.45679	1.6
646.35132	8.4
651.38300	1.8
687.36108	12.6
688.36310	3.8
731.38123	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16578	3.0
58.31652	2.8
59.01395	16.6
61.98837	54.5
67.94821	3.0
68.99574	8.8
71.01385	9.4
71.54785	3.7
73.02941	3.6
73.58867	3.2
75.00877	4.8
78.95898	3.4
80.91694	3.7
83.01420	4.2
83.05008	5.0
85.02953	5.1
87.00862	3.4
89.02441	4.8
96.96026	50.5
99.00901	8.1
109.06611	3.6
112.98565	9.9
113.02473	4.4
125.09695	3.9
163.11389	7.8
165.12868	4.0
171.10268	12.5
181.12354	12.6
207.10257	32.5
208.10735	3.2
209.11839	100.0
210.12141	8.1
225.11325	56.2
226.11792	3.8
227.12895	23.8
235.08311	5.0
243.12213	5.4
338.95486	3.9
432.16595	3.3
461.20496	22.4
653.31488	17.4
654.32306	4.0
671.32629	9.4
731.35968	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	731.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.7
63.02401	4.3
65.00334	21.8
69.33546	5.9
69.33951	1.4
83.01402	11.1
91.01910	2.7
93.03464	1.6
107.01405	25.2
119.05046	61.2
120.05373	3.2
125.02467	24.2
125.03188	0.7
126.02839	0.8
132.05843	2.5
135.00912	3.2
135.60378	0.7
141.51132	0.8
143.05061	1.0
145.02954	1.1
145.06610	0.9
151.00388	95.5
152.00749	3.2
153.01979	1.8
157.06616	2.7
159.08168	6.8
161.06111	0.8
164.04800	2.2
165.01941	1.7
167.03523	2.8
169.01483	0.8
175.03914	1.2
177.01997	2.8
185.06129	1.5
187.04047	1.2
187.11307	6.0
199.11275	0.8
200.12106	4.1
201.09251	0.8
203.07170	18.8
204.07520	1.4
219.10286	3.3
221.08229	10.2
229.15959	1.4
232.11072	10.0
255.17577	55.2
256.17883	4.8
271.06165	21.9
272.06497	1.8
276.94641	0.8
281.15668	1.7
323.12927	39.5
323.16431	2.1
324.13214	4.6
339.12552	4.9
352.30511	0.8
359.20255	1.6
391.18979	3.8
407.18680	100.0
408.19000	13.8
449.01843	0.8
459.15637	1.0
459.25552	15.0
460.25891	2.8
511.21481	2.7
669.96130	0.9
731.32385	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	5.5
63.02402	4.6
65.00330	21.5
65.91203	0.5
73.76185	0.5
74.32259	0.6
81.03448	0.9
81.36098	0.6
82.95390	0.6
83.01395	8.5
91.01906	23.3
107.01404	21.7
107.02155	0.7
107.05054	0.7
108.01740	0.8
109.02971	1.1
119.05044	1.8
123.04537	1.8
125.02460	28.8
126.02774	1.0
132.05829	16.0
133.06223	0.8
135.00899	41.4
136.01271	1.2
136.14134	0.6
151.00385	87.8
151.04016	2.3
152.00687	2.7
153.01952	11.8
161.09738	0.7
164.04803	8.7
165.01907	1.8
166.26382	0.6
167.03543	4.5
169.01393	1.3
175.03976	0.6
177.01985	2.7
187.11299	50.8
188.11655	2.9
200.12109	5.0
213.09116	0.9
229.15909	1.5
232.11076	9.2
237.17955	0.5
255.17561	56.7
256.17923	5.1
281.15369	0.9
323.12915	55.8
324.13208	6.1
339.12390	18.5
340.12726	1.6
391.19193	14.5
392.19479	1.9
407.18665	100.0
408.19037	16.5
427.26453	1.6
510.00296	0.6
579.27551	1.6
580.27570	0.9
731.32800	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
71.54753	1.1
82.95428	17.1
83.05019	1.5
91.01904	27.9
92.02241	1.8
93.03477	1.7
96.96011	1.1
97.84854	1.1
102.72691	0.9
107.05051	1.8
109.02920	2.5
119.05042	75.8
120.05365	2.9
123.04549	1.2
125.02440	3.4
132.05829	20.5
133.06177	1.1
135.00905	43.3
136.01259	3.0
145.02986	2.1
151.04037	1.2
153.01955	23.9
154.02263	1.0
159.04312	1.2
159.08186	2.0
164.04823	13.8
165.05101	1.3
170.40182	1.0
187.11299	70.7
188.11655	5.3
199.07426	0.9
203.07210	3.8
213.12804	1.5
219.87187	0.9
221.08208	1.5
243.13846	2.5
255.06606	4.6
271.16867	1.3
287.12927	23.6
305.13907	5.7
323.12921	85.2
324.13229	11.5
325.13376	1.2
345.11014	1.2
346.11282	2.8
391.19250	1.7
407.18668	100.0
408.19028	15.0
475.25003	13.3
476.25125	2.5
708.11353	1.1
731.84924	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
61.38218	1.1
61.98845	2.7
62.04048	1.1
91.01901	25.0
96.96033	2.4
108.02200	2.4
109.02943	1.9
119.05037	69.3
120.05362	2.3
121.02946	2.8
122.03796	1.3
125.02425	2.7
132.05835	18.8
135.00896	30.8
145.02980	3.1
148.31299	1.3
152.01147	3.8
153.01967	17.2
164.04805	11.3
165.01906	3.5
187.04004	3.5
187.09601	2.9
187.11290	57.8
188.11636	4.1
243.13828	5.5
255.06619	3.4
267.00101	1.2
271.17047	1.8
279.06635	3.2
287.12927	8.3
323.12915	74.2
324.13284	9.4
407.18649	100.0
408.18964	14.4
475.24713	7.2
761.34125	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95265	0.2
53.29683	0.2
59.01389	0.6
61.98838	100.0
62.99274	0.2
68.44955	0.2
71.01413	0.2
71.53777	0.4
80.96539	0.3
93.74075	0.2
95.70518	0.2
99.00894	0.2
113.11543	0.2
119.05067	1.0
120.05353	0.2
135.07072	0.2
171.10316	1.5
172.10567	1.1
173.10884	0.6
187.11327	0.8
188.11703	0.4
210.93698	0.2
225.11624	0.2
237.81644	0.2
254.09544	0.2
255.23349	0.5
277.21762	0.7
278.22165	0.7
279.22491	0.4
391.19598	0.3
392.19510	0.3
694.25085	0.2
712.28638	0.2
713.40723	0.2
731.41187	0.2
743.56488	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	67.8
79.00405	30.7
98.20673	82.0
99.00882	50.5
114.35206	31.8
119.05045	100.0
139.76839	41.5
171.10277	81.2
187.11327	41.1
197.11800	74.3
201.47775	37.0
205.41302	38.3
255.23454	46.7
277.21756	78.6
279.23022	36.0
285.87320	30.3
389.98453	37.0
391.18982	54.6
437.54855	42.3
557.23792	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95539	0.3
52.25267	0.4
54.20128	0.4
57.03448	0.4
58.07444	0.4
59.01389	4.4
61.98835	7.4
70.97500	0.4
71.01390	3.1
71.54815	0.5
73.02949	1.8
75.00878	0.7
79.64295	0.4
79.95750	1.0
80.22165	0.4
83.01386	1.3
84.25577	0.4
85.02966	2.3
87.00876	0.5
89.02433	0.5
93.37603	0.4
96.96023	40.3
97.95985	0.5
101.02485	2.7
107.01369	0.4
108.69246	0.4
109.02883	0.4
113.02452	1.4
117.03483	0.6
118.98822	0.4
125.02475	0.6
133.02951	1.6
149.02428	1.1
151.00389	0.8
161.02455	1.0
161.04532	0.7
163.00395	0.7
167.03517	0.5
175.03960	1.0
177.01868	0.5
191.02000	0.7
199.03996	0.5
201.11407	2.3
209.11855	4.7
223.09618	1.1
227.12880	1.0
253.09239	0.9
281.04581	1.2
283.06198	0.9
285.04077	7.1
286.04407	0.8
295.06134	1.0
297.04004	5.4
298.04712	0.5
311.05511	0.7
319.22778	3.6
323.05673	3.5
353.06625	1.3
386.09564	0.5
443.10144	0.6
445.20828	0.6
481.28091	100.0
482.28430	15.1
523.29205	3.7
524.29535	1.0
609.10437	4.3
610.11023	1.1
639.11304	3.0
640.12299	0.9
729.14459	4.1
729.34473	0.6
730.14691	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59578	2.3
55.47622	2.5
59.01401	12.8
61.98824	9.9
63.84956	2.2
71.01386	9.5
72.64532	2.1
73.89177	2.2
78.95894	4.7
83.05020	6.4
84.45295	2.6
85.02942	2.8
89.02460	7.8
96.95972	5.2
101.02435	5.7
113.02443	3.7
116.92815	2.6
125.02453	3.0
125.09749	2.5
127.11316	4.1
135.06149	2.6
152.12233	2.6
161.04584	3.7
163.11307	3.3
171.10252	7.1
190.86983	2.3
195.13921	5.4
197.11844	15.6
201.11351	83.4
202.11583	4.0
205.12302	7.9
209.11848	100.0
210.12126	9.1
211.13373	8.2
219.59666	2.5
223.13402	67.0
224.13666	5.9
227.12904	16.5
235.08182	4.4
253.09335	29.9
291.19672	11.0
309.20691	28.9
310.20947	3.8
397.13397	3.3
459.22324	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01078	0.7
59.01382	13.1
59.28840	0.3
61.10796	0.3
62.27866	0.4
64.65701	0.3
70.85017	0.7
70.85381	0.6
71.01395	1.6
74.31766	0.3
85.35938	0.3
89.02474	1.0
101.02456	1.4
113.02445	0.8
125.09689	0.5
127.11314	1.5
161.04547	0.6
171.10283	100.0
172.10622	4.8
235.08319	1.7
253.09308	6.0
277.21735	53.2
278.22083	5.7
279.23145	0.4
407.19144	3.0
525.40540	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.6
61.98836	0.8
71.00498	0.3
71.01379	0.3
79.95745	3.3
85.02975	0.3
86.83590	0.1
88.98823	0.1
89.02468	0.2
96.96023	100.0
97.95959	0.4
98.20590	0.1
101.02481	0.1
107.70217	0.1
113.02431	0.2
120.08252	0.1
122.06132	0.2
125.02509	0.2
127.51264	0.1
138.48274	0.1
174.05597	0.1
201.11368	0.1
209.11856	0.5
226.22453	0.1
227.12924	0.3
235.08165	0.1
251.11971	0.2
291.11417	0.1
462.76001	0.1
482.43854	0.1
508.20547	0.1
559.44659	0.1
599.25470	0.2
631.28058	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68910	0.2
59.30954	0.3
61.98831	0.4
65.00327	1.9
68.99818	1.1
69.54526	1.6
69.77018	0.2
81.06921	0.2
83.01408	0.4
85.02947	0.4
91.01904	0.7
93.03463	0.5
95.01383	0.3
96.96043	0.3
98.19849	0.4
101.45509	0.3
107.01383	0.3
108.02173	0.4
109.06599	1.7
111.48311	0.2
117.03470	0.6
119.05035	7.1
129.91418	0.3
131.01357	0.3
132.05788	0.7
132.61095	0.3
133.06613	6.3
135.00870	1.3
135.85991	0.2
136.01689	1.0
145.02957	0.9
148.01649	0.4
149.02458	0.8
149.06010	0.4
149.99658	0.4
151.00412	0.3
151.07666	2.1
153.01955	0.6
159.04547	0.4
161.02446	2.5
161.63306	0.3
163.00420	1.4
164.01184	0.6
171.04536	0.3
173.06119	0.2
175.00369	2.2
175.04004	0.5
175.07664	1.8
176.01154	2.0
177.01921	0.6
178.01904	0.2
183.04587	0.3
185.02592	0.3
186.03267	1.5
186.06844	0.3
187.03819	0.4
187.11272	0.9
188.04800	0.3
189.01964	1.1
189.05463	1.2
190.06314	1.3
191.07063	0.6
193.08789	0.4
196.00117	0.4
197.06091	0.4
199.07724	0.5
201.05595	2.2
203.03510	0.8
203.07133	1.0
204.07811	0.6
217.05057	0.7
218.05788	2.2
219.06630	10.8
220.07033	0.7
225.05614	0.4
231.06660	0.4
232.07394	1.3
241.05109	0.7
245.08113	0.3
251.07190	0.3
251.10719	0.3
255.06586	0.5
264.06375	1.7
267.06577	0.6
267.13815	0.3
269.04440	0.6
270.05432	0.9
279.06705	0.6
282.09021	0.4
283.06134	0.8
293.11606	0.4
294.12582	0.4
295.06155	3.3
297.07538	0.4
309.07791	0.3
309.14996	2.1
310.08673	0.6
311.12866	1.1
323.09409	0.4
323.12921	1.8
324.13275	0.3
325.14462	0.6
337.10983	0.5
338.11655	1.4
353.13959	100.0
354.14285	11.7
405.17108	1.1
431.55167	0.2
678.12866	0.3
729.30298	1.4
730.31360	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.428
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89158	0.6
59.01389	18.9
63.78532	0.5
65.54017	0.5
69.87416	1.9
71.01386	2.4
71.65104	0.5
79.45618	0.6
87.00935	0.7
89.02431	1.7
95.01423	0.7
98.20584	0.9
101.02470	2.0
101.33902	0.6
113.02455	1.0
113.56709	0.5
119.03529	0.6
125.09727	0.8
127.11321	0.7
161.04544	0.8
171.10287	93.2
172.10648	4.1
177.58907	0.6
200.10405	0.6
209.11835	1.9
210.12189	1.2
221.22578	0.5
235.08228	2.7
253.09331	7.6
277.21747	100.0
278.22119	9.6
279.23257	1.4
280.23621	1.3
281.24524	1.1
407.19296	1.0
513.30719	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.5
57.03447	6.9
59.01388	61.2
61.98846	8.9
69.40343	2.0
71.01394	51.8
71.55676	1.9
72.99318	3.5
73.02946	17.1
73.03257	1.7
75.00885	3.9
78.95929	2.1
83.01411	8.9
85.02962	36.2
87.00896	6.8
88.98841	2.1
89.02461	13.6
95.01409	5.6
96.96015	11.2
97.02970	4.9
99.00891	6.7
101.02459	33.1
111.00884	8.7
112.01736	2.1
113.02472	22.7
119.03523	4.0
119.05087	10.5
122.11614	1.8
124.01694	3.6
125.02437	7.2
129.01909	4.8
143.03465	3.2
149.02534	2.2
150.03249	3.5
159.03049	2.9
161.04596	5.5
163.04073	4.9
167.03615	2.2
177.05574	2.9
182.78902	1.8
190.02739	2.4
191.02074	9.2
191.03467	2.1
195.06638	2.5
276.99008	1.8
281.38947	2.5
315.25351	3.1
317.27042	5.5
329.14069	2.8
353.08734	3.5
461.31458	6.1
479.32382	13.6
493.70535	1.8
508.58475	1.9
565.28699	2.6
587.34021	2.1
623.36499	100.0
624.36798	21.8
641.37677	57.3
642.38147	13.8
667.39185	3.3
683.38684	24.2
684.38800	3.6
727.39771	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	727.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	12.0
61.98827	8.6
70.09245	5.3
71.01383	10.3
72.34911	1.4
75.00893	4.0
78.95914	3.2
83.05046	3.1
85.02978	10.4
87.00890	1.6
87.84277	1.4
89.02460	5.1
95.01392	1.6
96.96020	16.2
99.00883	1.9
101.02455	7.5
111.00841	1.5
113.02470	5.9
140.15302	1.3
157.77554	1.6
163.11342	2.6
171.10236	1.5
172.53775	1.3
191.01950	3.1
201.11345	25.4
202.11673	2.0
209.11850	100.0
210.12167	6.4
217.83897	1.7
223.83548	1.4
227.12897	23.7
228.13293	2.2
235.08218	6.7
253.09375	10.4
255.57478	1.5
315.25345	1.7
376.93030	1.9
437.20456	4.7
445.20999	12.6
463.22119	3.7
477.30695	3.2
479.26352	2.3
521.27637	10.0
623.36432	2.7
629.31830	3.0
637.32751	2.6
641.37250	2.7
667.39404	7.0
668.38873	1.8
727.33368	25.7
728.33514	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	727.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	60.4
61.98830	59.0
66.36956	7.1
66.95486	8.0
71.01393	30.4
73.02985	12.1
75.32529	7.2
78.95918	14.6
82.67463	7.0
82.95426	42.6
85.02998	9.2
89.02441	16.2
94.18889	6.6
96.96011	53.7
99.00858	9.2
101.02450	24.5
109.06590	9.4
113.02461	12.0
119.05035	16.5
163.11226	9.4
171.10239	29.9
179.14395	8.0
197.11855	23.6
199.09818	28.0
199.13474	12.8
201.11331	44.7
207.10336	29.1
209.11871	53.4
210.12358	13.4
211.13422	85.2
212.13908	9.2
223.13434	10.6
225.11342	42.4
227.12883	23.5
252.44952	8.2
253.09338	28.1
293.21280	100.0
294.21539	18.6
389.12091	9.0
397.13531	27.1
415.14490	37.4
461.20639	15.9
655.33392	13.6
691.36377	19.9
727.33118	49.1
728.32117	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	727.268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.4
57.03460	6.1
59.01385	15.9
67.01877	1.1
68.99834	1.9
69.74515	6.3
71.01395	26.1
72.99319	6.0
73.02969	1.5
75.00888	17.2
81.17277	1.0
83.01380	2.4
85.02963	30.3
87.00883	7.4
89.02444	5.3
91.03999	1.0
93.03439	1.1
95.01391	5.8
96.96049	1.6
99.00899	11.0
101.02433	1.4
103.00359	2.8
108.02193	4.0
109.02968	1.7
111.08172	2.6
113.01723	1.7
113.02467	23.1
115.00365	2.9
117.01930	2.2
119.05043	1.4
127.04073	1.2
129.01959	2.9
141.92850	1.0
147.02939	1.3
152.01154	6.0
153.01978	1.6
157.01488	1.5
163.04042	1.8
165.05505	1.0
165.12862	17.4
166.13293	1.0
175.70978	1.0
176.04674	0.9
183.13939	48.9
184.14275	2.8
191.02020	8.2
191.05016	3.2
209.03018	1.2
209.11771	2.0
211.74342	1.0
227.12915	3.7
227.80266	1.0
249.06140	7.0
250.06604	1.2
267.07227	16.7
289.07156	1.1
315.07208	1.6
415.19742	7.5
459.19089	1.4
474.40814	1.0
477.19598	2.0
551.23224	6.5
665.26666	1.8
709.26050	2.5
726.13739	1.1
727.26642	100.0
728.26849	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	727.195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	1.8
57.03461	6.7
58.21153	1.2
59.01387	32.9
59.60393	1.1
63.27467	1.3
67.01907	3.3
68.99822	1.8
69.03464	9.8
70.91206	1.9
70.91552	2.2
71.01392	17.2
72.99321	2.4
73.02963	14.9
81.03467	5.2
83.01387	6.8
83.05054	2.6
85.02962	64.7
86.03312	2.3
87.00889	100.0
93.03471	5.6
95.01408	22.0
96.96032	2.5
97.02966	29.8
99.00895	2.4
99.04532	3.2
101.02430	2.1
103.04033	11.2
109.02959	7.0
111.00886	8.2
111.04523	1.5
113.02473	20.1
115.00395	10.5
115.04119	1.4
121.02957	1.5
125.02457	4.0
127.04027	18.3
129.01988	1.7
137.02451	4.8
139.00388	14.8
145.05109	5.4
151.04050	1.5
155.03510	3.9
157.01448	10.3
169.05064	2.6
171.02992	2.5
173.04573	3.1
175.02504	57.8
176.02731	1.8
179.03490	1.6
191.01950	3.7
199.02516	38.4
200.02840	1.8
209.02931	5.9
217.03549	22.2
285.06247	2.4
303.07272	16.0
304.07578	1.5
321.08197	6.2
327.07013	1.2
345.08383	7.0
387.09406	16.1
405.10501	8.2
439.36902	1.3
448.36899	1.3
563.12250	2.4
581.13300	2.2
623.14465	6.7
685.18610	2.1
709.18018	14.1
727.19556	16.9
728.20068	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	727.137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61034	0.6
55.01881	1.1
57.03459	6.6
59.01392	5.5
69.43937	1.3
69.44350	3.1
71.01386	6.0
72.99323	0.9
75.00899	0.8
83.34235	0.6
84.02183	1.3
85.02959	66.2
86.03299	1.6
87.00867	1.4
89.02465	2.7
103.00410	1.0
129.01987	3.8
133.01445	4.7
147.03030	4.9
158.58621	0.7
178.31232	0.6
186.91173	0.6
191.02007	24.2
191.91988	0.7
192.02315	1.1
201.34428	0.5
209.03044	100.0
210.03398	2.7
243.03035	1.1
255.73630	0.7
285.50269	0.6
347.05237	0.7
355.06686	11.0
371.06226	3.8
471.77277	0.6
657.00262	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55911	0.4
54.61868	0.4
55.01871	1.2
57.03453	7.7
59.01383	5.6
61.21511	0.4
68.99818	0.9
71.01386	7.2
71.53356	0.6
72.99313	1.4
75.00875	1.1
83.01409	1.0
84.02167	2.1
85.02960	62.2
86.03311	1.5
87.00868	2.5
89.02462	3.3
103.00379	1.2
111.00868	1.1
119.05001	0.7
129.01950	3.7
133.01437	4.5
135.04510	1.7
143.50497	0.4
147.02998	5.0
153.73029	0.5
163.04065	1.2
175.02467	0.8
179.03412	0.6
191.01999	19.4
192.02251	0.9
199.02574	0.7
209.03043	100.0
210.03392	4.0
223.04594	2.5
337.05841	0.5
355.06775	4.3
356.06943	0.8
371.06219	6.6
422.46710	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4487
Annotation	Trungapeptin C
Peak:m/z	Relative Intensity
57.73259	0.8
59.01393	4.8
59.95018	0.6
71.01395	4.8
71.38228	1.2
73.02956	1.1
78.95901	0.8
85.02981	1.6
87.00899	1.4
89.02454	2.0
101.02447	3.9
105.08346	0.7
108.99644	0.7
111.08144	0.8
113.02434	2.1
145.05196	1.0
157.10803	0.6
161.04616	1.1
163.87993	0.7
165.12865	7.2
183.13919	59.7
184.14236	2.7
209.11810	3.7
227.12868	3.9
235.08351	3.4
238.52049	0.8
245.42140	0.7
253.09335	4.8
272.58466	0.7
279.23315	100.0
280.23654	10.1
281.24521	0.7
281.85806	0.8
326.29587	0.8
357.92148	0.8
445.20532	1.2
463.22348	1.7
591.48523	0.8
725.44873	73.8
726.45276	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	725.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66684	1.0
57.03456	1.2
59.01383	9.2
61.98827	2.8
62.88052	1.7
63.02259	1.5
70.71864	3.4
71.01377	3.4
78.95920	1.6
85.02937	1.7
87.00889	1.9
89.02457	2.8
96.95997	1.6
97.06598	5.9
101.02448	4.9
113.02463	1.7
119.03487	1.6
151.11282	16.2
161.04420	1.4
169.12357	56.9
170.12718	2.6
185.82808	1.3
195.10278	3.3
195.13933	3.3
209.11823	2.1
211.13527	1.6
213.11304	7.7
223.13326	2.5
224.29335	1.4
253.09178	3.5
275.20218	3.4
293.21271	21.6
294.21555	3.3
342.94260	1.3
365.32669	1.1
426.03479	1.4
431.19522	2.1
449.20184	4.0
556.91412	1.6
725.41199	100.0
726.41742	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55561	1.2
55.16274	1.5
57.03438	2.4
59.01382	7.9
61.98843	2.1
65.18282	1.2
68.35897	1.2
70.26019	1.3
70.31751	2.9
70.32111	3.9
71.01392	5.1
75.00877	1.7
78.95900	2.5
88.65465	1.4
89.02443	2.3
96.96026	2.7
98.20624	1.6
101.02443	4.8
119.05048	3.4
121.02953	2.1
125.02507	1.7
125.09742	3.6
137.02432	2.4
139.11276	2.4
141.12834	3.6
150.03760	1.5
161.04561	2.4
167.10727	4.4
171.10304	2.5
185.11844	100.0
186.12166	4.8
201.11317	1.7
209.11852	14.8
210.12204	1.8
211.13446	3.4
227.12860	3.5
229.10876	2.5
235.08278	2.4
253.09351	4.9
277.21756	45.5
278.22061	8.6
279.23276	7.8
280.23608	1.8
295.22751	3.1
303.04932	3.0
421.20178	3.1
447.18686	2.5
465.19800	2.5
501.43970	1.5
725.41290	86.2
726.41730	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	1.4
59.01389	16.6
61.98838	6.2
65.46282	0.8
69.03461	2.8
71.01383	5.6
71.54375	0.8
73.02950	1.1
78.09822	0.7
78.10753	0.6
78.95909	1.0
79.37650	0.8
83.01419	1.2
83.05036	1.4
83.22950	0.7
85.02971	1.2
87.00843	1.3
89.02457	3.1
95.04996	0.9
96.96020	1.5
97.02948	0.8
101.02456	3.5
109.06601	1.1
111.08178	4.8
113.02465	1.5
113.37568	0.7
125.02470	1.8
141.09277	0.7
145.05107	0.8
151.11281	0.7
152.99614	0.8
153.09222	1.1
153.12891	1.3
161.04564	1.5
167.10782	4.3
169.12338	5.0
171.10268	1.4
177.12717	0.8
179.10796	2.2
179.14432	5.2
195.13911	9.9
197.11856	84.7
198.12186	4.7
199.13382	1.2
205.12325	10.4
209.11745	1.1
211.13406	2.5
223.13425	100.0
224.13800	6.8
235.08284	5.3
253.09326	12.5
263.20145	1.0
291.19675	8.4
297.38962	0.9
309.20740	23.9
310.21085	1.4
359.21426	0.8
411.25412	1.0
416.78397	0.8
429.26529	0.9
430.26660	0.9
433.20667	2.8
441.21280	1.7
459.22427	13.5
460.22781	1.8
545.29785	0.8
647.34552	1.6
665.35974	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	725.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.4
61.98826	5.7
65.25917	1.0
70.23349	1.1
71.01390	15.7
71.54608	1.8
73.02940	2.5
75.00865	3.6
75.39117	1.1
80.02696	1.4
81.03460	2.4
83.01406	1.2
83.05033	4.6
85.02943	3.4
87.00903	1.8
88.98830	1.8
89.02448	3.7
95.01413	1.2
96.96022	6.4
97.02951	4.4
97.06599	1.0
99.00878	3.0
101.02469	6.0
109.06601	17.6
113.02460	4.0
118.43612	1.1
125.02486	1.3
125.09708	1.2
135.08150	3.2
161.04565	2.7
161.09792	1.3
163.11302	13.5
165.12866	1.8
171.10266	5.8
181.12297	2.0
185.11827	2.4
189.06606	1.3
199.09778	2.3
201.11256	2.3
207.10280	44.0
208.10599	3.1
209.11845	100.0
210.12173	6.1
225.09265	2.0
225.11359	27.4
226.11618	1.8
227.11102	1.8
227.12965	16.5
235.08234	3.2
253.09326	14.0
417.22992	2.1
459.49112	1.4
461.20197	11.2
462.20795	1.8
519.31708	2.5
635.31573	1.6
653.31628	4.4
671.32477	6.1
672.33636	5.2
725.32385	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	725.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.9
57.03441	3.1
59.01119	1.5
59.01384	17.9
67.01883	0.9
68.99819	2.0
69.03448	1.1
69.50974	6.0
69.51279	0.7
71.01020	1.3
71.01387	21.5
72.99316	6.0
73.02962	5.0
75.00491	0.8
75.00882	13.6
83.01369	1.4
85.02957	26.8
87.00890	7.4
89.02454	4.5
95.01394	4.7
95.05046	1.1
96.01732	0.9
96.96020	6.9
98.95589	1.6
99.00904	9.4
101.02453	2.6
103.00357	2.5
103.04008	1.2
109.02959	1.0
109.06606	1.0
111.00908	1.3
113.02466	19.8
115.00377	3.5
117.01899	2.8
123.09977	0.9
129.01956	2.2
134.03767	1.7
136.27692	0.9
147.02930	1.0
150.03198	1.1
161.09721	1.7
163.11331	5.7
164.73405	0.8
175.02478	2.4
179.10744	1.3
181.12367	15.7
191.02133	1.8
207.10313	1.4
225.11298	9.3
241.95457	0.8
249.06198	9.2
267.07248	15.1
268.07474	1.7
299.15216	1.2
315.08710	1.4
327.08533	1.4
413.17944	4.2
430.75281	1.3
475.17966	1.6
503.06735	1.1
503.34286	1.2
549.22186	5.6
651.58801	0.9
707.23657	3.0
725.24976	100.0
726.25244	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	725.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.9
57.03441	3.1
59.01119	1.5
59.01384	17.9
67.01883	0.9
68.99819	2.0
69.03448	1.1
69.50974	6.0
69.51279	0.7
71.01020	1.3
71.01387	21.5
72.99316	6.0
73.02962	5.0
75.00491	0.8
75.00882	13.6
83.01369	1.4
85.02957	26.8
87.00890	7.4
89.02454	4.5
95.01394	4.7
95.05046	1.1
96.01732	0.9
96.96020	6.9
98.95589	1.6
99.00904	9.4
101.02453	2.6
103.00357	2.5
103.04008	1.2
109.02959	1.0
109.06606	1.0
111.00908	1.3
113.02466	19.8
115.00377	3.5
117.01899	2.8
123.09977	0.9
129.01956	2.2
134.03767	1.7
136.27692	0.9
147.02930	1.0
150.03198	1.1
161.09721	1.7
163.11331	5.7
164.73405	0.8
175.02478	2.4
179.10744	1.3
181.12367	15.7
191.02133	1.8
207.10313	1.4
225.11298	9.3
241.95457	0.8
249.06198	9.2
267.07248	15.1
268.07474	1.7
299.15216	1.2
315.08710	1.4
327.08533	1.4
413.17944	4.2
430.75281	1.3
475.17966	1.6
503.06735	1.1
503.34286	1.2
549.22186	5.6
651.58801	0.9
707.23657	3.0
725.24976	100.0
726.25244	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	725.2526
Annotation	(+)-Jasplakinolide Z1
Peak:m/z	Relative Intensity
55.01891	0.9
57.03441	3.1
59.01119	1.5
59.01384	17.9
67.01883	0.9
68.99819	2.0
69.03448	1.1
69.50974	6.0
69.51279	0.7
71.01020	1.3
71.01387	21.5
72.99316	6.0
73.02962	5.0
75.00491	0.8
75.00882	13.6
83.01369	1.4
85.02957	26.8
87.00890	7.4
89.02454	4.5
95.01394	4.7
95.05046	1.1
96.01732	0.9
96.96020	6.9
98.95589	1.6
99.00904	9.4
101.02453	2.6
103.00357	2.5
103.04008	1.2
109.02959	1.0
109.06606	1.0
111.00908	1.3
113.02466	19.8
115.00377	3.5
117.01899	2.8
123.09977	0.9
129.01956	2.2
134.03767	1.7
136.27692	0.9
147.02930	1.0
150.03198	1.1
161.09721	1.7
163.11331	5.7
164.73405	0.8
175.02478	2.4
179.10744	1.3
181.12367	15.7
191.02133	1.8
207.10313	1.4
225.11298	9.3
241.95457	0.8
249.06198	9.2
267.07248	15.1
268.07474	1.7
299.15216	1.2
315.08710	1.4
327.08533	1.4
413.17944	4.2
430.75281	1.3
475.17966	1.6
503.06735	1.1
503.34286	1.2
549.22186	5.6
651.58801	0.9
707.23657	3.0
725.24976	100.0
726.25244	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	725.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36147	1.1
57.03434	3.3
59.01373	2.8
62.44616	1.3
62.68973	1.1
69.62923	5.6
71.01390	2.2
82.50508	1.0
83.01398	2.6
85.02480	1.7
85.02969	23.2
87.06162	1.1
89.02473	1.1
92.06868	1.2
93.03450	3.2
96.96014	2.5
101.02392	1.2
102.03381	1.1
117.03483	7.7
119.05036	6.1
119.13771	1.1
125.02430	1.7
129.01942	4.0
132.34550	1.1
135.04517	4.8
138.01282	1.1
147.02969	3.8
147.04523	1.8
149.02396	2.1
159.04559	1.6
160.05298	1.5
161.02440	3.2
161.06097	2.2
161.08142	1.6
161.62444	1.2
163.04054	10.0
173.00897	1.4
175.03964	2.4
175.07631	1.3
177.01997	1.7
177.05563	2.4
179.03432	1.2
191.02003	13.5
191.03537	1.6
203.03442	1.6
209.02811	1.2
239.01703	1.4
258.94998	1.1
267.06647	1.3
282.05139	1.6
283.06165	5.2
295.06131	6.9
296.06863	3.3
297.07687	27.8
298.07971	3.8
307.06091	3.1
309.07697	2.8
311.05765	5.6
323.05536	4.9
325.07132	9.7
328.05942	2.9
329.14063	8.8
332.52121	1.2
335.05347	3.1
337.07471	5.8
353.06689	53.9
354.07108	6.6
355.07990	1.3
356.05228	1.4
359.15134	1.3
365.06699	8.2
383.07739	37.1
384.08026	3.6
395.07715	4.6
413.08734	4.1
425.08453	1.8
473.11032	16.1
474.11264	3.4
503.11902	3.5
521.20264	1.3
605.14905	6.0
635.16284	3.4
710.10779	1.2
725.19373	100.0
726.19910	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	725.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.9
60.83683	0.7
71.01385	1.9
71.05451	1.3
74.67064	0.7
85.02971	4.0
88.03119	0.7
92.81375	0.7
93.03474	0.8
96.96024	6.8
98.95627	1.1
108.53042	0.7
115.00393	0.7
117.03490	3.9
119.05025	2.3
125.02455	1.2
135.04576	1.2
160.05365	0.9
161.02475	1.3
163.04015	2.0
173.06059	0.9
175.02513	1.6
175.04034	2.2
177.01959	2.0
189.01920	0.9
191.01921	1.4
191.03485	1.5
193.05054	0.9
195.06627	5.3
203.03474	1.1
209.02963	1.2
267.06577	1.1
268.07300	0.9
281.04645	1.5
282.05286	3.7
283.06229	3.8
284.06528	0.8
295.06165	9.5
296.06900	30.1
296.10229	1.5
297.07550	7.2
307.06195	2.2
309.07651	2.2
311.05646	4.3
323.05658	8.9
325.07205	4.3
328.05847	2.0
329.13995	3.2
335.05560	1.4
337.07175	1.1
339.05069	1.4
341.06726	1.0
353.06705	16.8
354.06964	2.5
355.08319	0.9
357.12119	1.7
365.06577	3.8
369.06415	0.9
383.07721	15.6
384.07831	2.2
395.07648	2.4
413.08865	4.0
425.08755	1.1
443.09940	4.0
455.09680	1.0
473.10867	2.9
503.11911	1.2
510.96201	0.9
515.12024	10.2
545.13062	6.9
563.13928	5.4
605.14874	4.1
635.16180	2.2
725.19397	100.0
726.19855	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11143	0.4
54.30383	0.3
55.01878	1.8
57.03454	13.4
59.01382	8.0
61.89665	0.4
65.72556	0.4
68.99829	0.6
71.01385	4.7
71.55328	0.5
71.55729	0.5
72.99303	1.0
73.02924	0.5
75.00868	1.0
76.55096	0.4
83.01402	2.2
83.04491	0.4
84.02164	2.7
85.02959	100.0
86.03297	2.4
86.58775	0.4
87.00890	1.5
89.02443	1.2
99.00876	0.6
101.02460	1.6
101.61509	0.5
101.97585	0.4
103.00374	1.4
111.00886	0.9
113.02464	1.2
124.26002	0.4
129.01965	7.3
130.08759	1.8
135.04565	4.4
147.01843	0.8
147.03004	11.2
161.02423	0.4
161.04811	0.5
173.00928	1.6
174.03217	1.1
179.03603	2.3
191.01990	88.6
192.02321	3.7
209.02994	0.7
209.08253	0.5
327.21814	1.5
353.05182	1.4
353.10355	2.3
354.19431	2.1
501.13943	1.0
503.32196	0.6
545.12885	1.4
563.14136	9.9
564.14130	1.2
579.33411	0.4
665.37677	1.7
683.38483	1.3
699.83276	0.5
725.38763	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67702	1.7
57.03443	2.6
58.00591	2.5
59.01168	1.5
59.01385	17.7
61.98821	6.4
71.01392	21.3
71.54730	2.2
73.02953	3.9
78.95912	20.7
85.02949	6.1
87.00870	5.6
89.02451	7.4
96.95447	1.6
96.96013	8.0
96.96947	2.1
97.02972	1.8
97.06593	4.2
101.02445	9.8
108.04574	4.7
109.06606	2.0
113.02468	5.4
119.03519	1.6
120.34011	1.6
123.08167	1.7
125.09745	23.5
145.05107	4.3
148.88564	1.9
152.99623	9.8
155.44803	1.7
161.04529	2.6
171.10229	8.3
175.96901	1.9
177.00912	1.9
181.51118	1.8
197.11771	8.5
199.09735	3.1
201.11328	7.1
207.10194	4.6
209.11836	23.2
211.13338	3.2
225.11296	8.8
227.12862	8.2
230.15552	2.6
235.08185	4.0
244.16992	4.4
253.09322	5.4
256.17136	20.0
282.15067	2.2
300.16147	7.5
364.26822	3.2
382.27557	5.3
390.24268	2.7
408.25443	4.6
426.26501	13.9
427.26660	2.4
432.27533	4.1
444.27643	16.6
445.27591	2.5
461.20181	3.0
462.28513	2.8
465.22311	1.9
627.31097	2.2
645.31183	2.4
662.35327	7.8
680.36407	2.7
689.34686	2.6
693.36407	5.1
694.34998	10.4
706.34106	3.2
724.35510	100.0
725.36572	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.159
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79716	2.5
57.03444	12.0
59.01369	7.9
63.81961	2.7
71.01382	9.4
71.53439	3.6
71.72084	2.8
72.99354	2.7
76.55025	2.6
84.02177	2.9
85.02959	91.4
86.03282	4.8
87.00092	2.5
89.02464	6.8
89.98612	2.6
96.95998	15.6
99.60684	2.5
104.89541	2.9
111.00943	2.7
119.05031	5.0
129.01961	7.4
147.02992	7.9
163.03955	3.4
191.01996	38.2
209.03046	100.0
210.03525	3.5
217.91510	3.1
223.04602	12.4
250.28302	2.8
299.58505	2.9
353.06647	3.3
355.06659	12.8
383.08032	6.5
404.29889	2.7
584.09930	3.2
655.96155	3.1
725.20026	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	724.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.5
59.01382	21.8
60.71046	1.7
60.99322	2.1
61.98824	6.9
71.01395	19.2
72.99310	2.9
73.02940	3.6
78.95929	2.9
79.95750	1.6
83.01373	4.0
83.82975	1.6
85.02956	6.5
87.00883	7.7
89.02458	8.8
95.01405	3.1
95.05100	2.0
96.96029	12.7
96.97016	1.8
97.06597	6.6
101.02468	9.8
102.85539	2.1
107.03811	2.9
108.04564	7.2
109.06559	2.0
113.02463	7.6
121.06660	1.9
123.08169	3.4
125.02457	2.4
125.09748	32.6
145.05083	3.2
149.05759	1.7
165.57793	2.0
197.11830	4.4
199.09872	2.5
199.13438	3.0
201.11427	2.1
207.10222	1.9
209.08240	2.7
209.11864	12.2
211.13377	4.3
225.11369	6.5
227.12894	5.4
230.15494	6.3
235.08299	5.5
244.17087	5.9
253.09447	2.8
256.17114	33.7
257.17331	2.8
282.14938	7.3
300.16132	9.1
382.27472	6.5
390.24521	2.3
408.25409	7.1
409.25980	2.0
414.26553	2.5
426.26581	22.8
427.27264	2.3
432.27734	3.5
444.27594	32.4
445.28079	5.0
461.20041	2.3
462.28699	4.2
662.35638	16.3
663.35773	4.1
671.32349	2.4
680.36523	7.6
694.34692	13.6
706.34283	13.2
707.34399	3.6
724.35553	100.0
725.36108	27.2
727.49591	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	723.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19962	0.2
59.01389	2.9
63.42244	0.2
65.04174	0.1
71.01392	2.4
71.54745	0.2
72.99313	0.3
73.02968	0.2
74.96034	0.1
80.02687	0.8
81.03476	1.2
83.01380	0.4
83.05031	4.0
84.02177	0.7
85.02952	0.6
87.00890	0.5
88.27128	0.2
89.02451	1.8
95.01411	0.2
95.05039	0.5
97.85255	0.2
101.02428	1.8
109.06615	0.3
113.02459	1.1
119.03502	0.5
125.06114	0.5
125.09662	0.2
133.05089	0.3
135.08144	0.7
143.03577	0.2
155.20352	0.2
161.04626	0.9
163.11295	3.7
164.11612	0.2
165.12863	2.3
166.13161	0.2
179.05620	0.6
181.12370	0.7
185.11781	0.2
191.10826	1.1
199.13408	0.6
207.10243	0.3
209.11839	100.0
210.12177	7.0
211.13477	0.4
225.11307	0.4
226.11771	0.3
227.12907	12.9
228.13286	0.9
235.08250	1.7
253.09302	8.0
254.09584	0.5
259.20511	0.2
275.20166	0.3
277.21741	52.4
278.22073	5.4
279.23297	0.2
293.21310	0.2
323.53024	0.2
381.37823	0.2
427.60001	0.2
445.20807	1.0
460.64331	0.2
463.21582	0.4
513.30359	0.2
627.24896	0.2
723.43140	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34988	0.2
58.00608	0.2
59.01108	0.3
59.01382	3.9
61.68144	0.2
69.03498	0.2
69.48779	1.3
71.01386	2.9
71.05032	0.3
72.99310	0.3
73.02977	0.5
75.39911	0.2
80.02686	1.3
81.03457	1.1
83.01418	0.4
83.05038	4.6
84.02169	0.8
85.02953	0.8
87.00864	0.5
89.02441	2.0
95.01419	0.3
95.05061	0.5
99.71870	0.2
101.02455	2.3
109.06602	0.4
113.02458	1.5
119.03538	0.7
125.06068	0.5
135.08165	0.5
143.03552	0.2
145.05057	0.2
147.11740	0.2
148.40350	0.2
148.74030	0.2
157.05020	0.2
161.04579	1.2
163.11316	3.4
164.11554	0.2
165.12878	2.1
179.05614	0.5
181.12355	0.4
191.10800	0.8
196.30336	0.2
199.13464	0.2
205.05029	0.2
209.11842	100.0
210.12183	6.7
227.12903	10.5
228.13246	0.7
233.22348	0.2
235.08231	2.8
236.08981	0.2
253.09305	8.7
254.09613	0.4
259.20639	0.2
272.79843	0.2
275.20013	0.2
277.21741	69.9
278.22095	6.8
445.20956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4333
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
59.01390	8.4
71.01399	5.7
71.59406	0.7
73.02959	1.8
83.01373	0.8
85.02998	0.9
86.47623	0.7
87.00890	1.6
89.02464	2.7
95.01356	0.8
98.19885	2.1
101.02467	5.1
111.08222	0.9
113.02451	2.7
119.03515	1.1
130.55565	0.7
157.05202	0.8
161.04691	1.0
165.12874	9.3
166.13168	1.0
183.13933	71.0
184.14319	4.0
189.98737	1.0
209.11855	5.7
210.12070	0.8
215.46046	0.9
227.12938	4.6
229.85135	0.8
233.22762	1.0
235.08214	1.8
251.14612	0.8
253.09312	6.3
259.20743	0.9
277.21750	100.0
278.22101	10.7
330.33118	0.9
433.87305	0.8
445.20758	1.8
463.21658	2.5
723.43298	75.4
724.43640	20.3
752.80658	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58848	0.3
55.01879	0.4
56.49795	0.4
57.03441	0.5
58.00615	0.3
59.01386	4.6
69.72803	0.7
69.73198	1.1
71.01383	4.2
73.02933	0.5
83.01393	0.4
85.02968	1.1
87.00882	0.5
89.02454	3.2
101.02442	3.7
104.79098	0.3
111.08160	0.5
113.02452	1.9
115.04004	0.3
115.97250	0.3
119.03516	0.8
161.04570	1.2
165.12862	6.1
166.13141	0.5
179.59418	0.3
183.13911	100.0
184.14249	5.5
189.48151	0.4
209.11848	2.4
227.12907	5.5
235.08249	3.1
253.09302	4.7
277.21732	34.2
278.22073	3.5
313.38022	0.4
419.22998	1.0
445.21051	2.0
463.21906	5.2
723.43268	55.3
724.30896	0.9
724.43585	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	723.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01918	0.6
58.00605	0.9
58.64395	0.4
59.01390	6.2
61.66812	0.5
71.01389	5.2
73.02946	1.2
80.02679	0.9
81.03462	1.0
83.01421	1.1
83.05043	4.7
84.02185	0.9
85.02948	1.3
87.00889	1.0
89.02446	3.7
95.01373	0.5
95.05022	0.6
97.06580	0.7
97.54224	0.5
98.98881	0.4
99.00846	0.6
101.02438	4.4
108.09834	0.5
109.06601	1.0
113.02425	2.2
119.03516	1.2
125.02529	0.5
131.85974	0.5
143.03488	0.5
145.05066	0.6
161.04550	1.8
163.11259	4.0
165.12872	3.3
171.48892	0.5
179.05598	0.6
181.12271	0.9
183.13869	2.2
187.11249	0.8
191.10767	0.9
195.13911	1.0
199.13417	8.4
209.11842	100.0
210.12189	7.0
211.13409	27.2
212.13754	2.2
223.13257	1.1
225.11296	0.5
227.12906	36.5
228.13255	2.1
235.08266	4.7
253.09314	16.4
254.09625	0.7
256.12878	0.5
275.20154	1.1
277.21744	92.3
278.22104	9.9
279.22675	0.5
293.21240	15.1
294.21582	1.9
311.96490	0.5
326.30127	0.5
407.18405	1.0
445.20874	2.1
447.22220	0.8
448.29208	0.5
461.37784	0.5
463.21994	5.8
464.22266	1.0
469.33243	1.0
723.43427	2.8
724.42725	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09121	1.0
54.47697	0.9
57.03453	2.2
59.01385	18.2
61.98835	11.1
65.64576	0.9
71.01387	12.7
71.55151	1.3
71.55570	1.4
72.20281	1.1
73.02959	2.6
75.00871	2.9
83.01385	2.5
83.05042	3.4
85.02955	7.5
87.00877	4.6
88.98821	1.1
89.02463	4.5
95.01385	1.4
96.96025	13.6
99.00903	2.2
101.02450	5.6
111.00919	1.0
113.02464	5.7
125.02438	2.1
125.06013	1.4
125.09709	1.2
127.04104	1.0
127.11320	1.7
141.42686	1.0
150.03241	1.1
154.18204	1.0
161.02438	1.2
161.04567	2.3
163.04012	1.9
163.11319	3.9
169.12366	1.3
171.10283	6.8
199.09787	1.2
201.11354	22.1
209.11844	100.0
210.12149	6.9
222.82697	1.2
225.11388	1.6
227.12898	15.7
235.08209	3.7
253.09357	9.8
267.07281	1.6
420.68204	1.1
445.20770	4.1
465.06143	1.1
473.27087	1.2
475.28738	1.6
517.30090	4.3
546.26117	1.2
637.33685	1.5
679.36353	1.8
723.34442	16.8
724.34656	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04261	9.5
57.25614	9.7
59.01370	22.8
61.98840	56.6
63.66438	8.2
71.01389	30.7
78.95918	18.1
83.85018	9.3
91.96256	10.7
96.96012	21.9
152.99640	10.1
171.10234	31.8
197.11838	29.3
199.40236	9.3
201.11360	12.5
207.10233	17.3
209.11890	100.0
211.13332	16.8
213.23373	10.6
225.11346	15.2
229.06094	11.8
253.09448	13.3
317.57693	9.2
401.92670	13.1
463.76999	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
57.03443	2.7
59.01114	1.1
59.01387	16.9
68.31768	0.7
68.99821	1.9
69.03455	1.6
71.00117	1.3
71.01014	1.4
71.01389	22.4
71.57732	0.7
72.99316	6.9
73.02958	1.7
75.00883	15.2
76.73859	0.7
83.01388	1.2
85.02955	23.8
86.03242	0.7
87.00880	8.1
89.02459	5.0
91.03993	0.8
95.01406	4.8
96.95982	1.1
99.00897	11.7
103.00364	2.6
106.83817	0.8
107.64574	0.8
108.65104	0.7
111.00886	1.0
113.02464	28.3
115.00399	3.4
117.01945	3.1
129.01920	2.2
131.03471	1.2
133.10234	1.2
135.11844	4.9
143.08641	1.1
157.01454	0.7
161.09755	9.1
170.62778	0.8
175.02507	1.8
179.10797	17.9
180.11201	1.1
205.07117	1.5
205.08833	1.0
219.77927	0.7
223.09814	1.0
231.05045	1.1
249.06201	10.1
250.06606	1.0
267.07220	25.3
268.07642	1.3
411.16684	2.7
455.15781	3.5
473.16739	2.1
547.20386	6.1
548.20874	1.6
661.23651	1.2
705.22516	2.1
723.23590	100.0
724.23877	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	723.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03444	2.4
59.01386	16.1
68.99815	1.9
71.01019	1.4
71.01393	19.2
72.99321	5.6
73.02948	2.5
75.00880	14.2
83.01370	1.2
85.02962	22.3
87.00892	5.5
89.02459	4.3
91.03989	0.9
95.01399	4.5
99.00885	9.5
103.00381	2.0
111.00929	0.9
113.02466	24.1
115.00347	1.8
117.01932	3.0
124.79673	0.7
129.01936	2.8
135.11800	3.2
143.08670	0.9
161.09785	6.9
175.02441	1.8
179.10803	11.8
191.01917	1.1
205.07187	1.2
207.04962	1.2
231.05183	0.9
249.06203	10.8
250.06444	1.1
267.07263	15.5
355.33350	1.1
404.04660	0.8
446.31439	0.8
488.46631	1.0
547.20447	4.9
548.20624	1.0
661.22638	1.4
705.22504	3.5
723.23596	100.0
724.12683	0.8
724.23975	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67646	1.3
55.56512	1.1
56.46834	1.2
57.03473	1.6
59.01377	6.4
61.98843	8.8
69.44399	9.4
71.01391	8.2
74.29333	1.7
78.95901	2.5
80.05040	1.5
85.02952	1.7
89.02459	3.4
96.96003	3.0
97.06608	2.4
98.19939	2.9
101.02454	4.1
113.02444	2.9
113.06969	1.1
123.08155	1.7
125.02405	1.9
125.09739	13.3
155.72969	1.2
172.41353	1.2
197.11760	2.4
207.10249	1.9
209.11821	1.7
211.13364	2.0
212.14346	1.9
225.11316	2.4
230.15521	21.2
231.15833	1.7
298.18060	6.8
316.19232	30.4
317.19553	3.0
338.25015	4.4
356.25946	3.9
364.22736	2.1
382.23935	7.0
400.25058	5.0
418.26193	7.2
486.28687	3.9
504.29999	3.7
722.37659	100.0
723.37787	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.3
59.01392	6.1
61.98836	4.7
69.59912	4.7
71.01386	4.8
72.99309	0.8
73.02948	1.2
80.05088	0.9
83.90792	0.7
85.02948	3.4
87.00857	1.7
89.02460	2.3
95.01356	1.0
96.95980	1.2
97.06585	2.5
98.19904	1.1
101.02456	3.1
113.02440	2.4
122.26581	0.9
123.08174	2.4
125.02432	1.3
125.09736	12.9
202.16043	1.0
204.17656	1.6
212.14413	2.0
213.11565	1.1
216.13918	0.9
225.11276	0.8
230.15506	22.1
231.15868	1.7
248.16522	1.2
256.13409	0.9
272.20172	1.3
298.18204	7.1
311.25360	0.7
316.19196	30.1
317.19431	3.4
338.25049	4.3
339.25177	0.9
356.25992	3.7
364.22510	1.9
382.23840	11.8
383.24524	1.5
400.25119	5.2
418.26019	8.4
419.26334	1.3
424.29092	0.9
453.08212	0.9
468.28043	0.8
486.28680	4.6
490.52682	0.9
504.29883	3.6
634.65851	0.8
636.33887	1.7
704.37402	1.4
722.37610	100.0
723.37946	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
59.01382	4.2
61.98850	0.4
69.03451	0.4
69.26647	2.8
71.01385	3.8
71.05032	0.8
73.02965	0.9
78.95893	0.4
81.03471	0.6
83.01385	0.4
83.05022	0.6
85.02962	1.5
87.00890	1.1
89.02468	2.1
95.01420	0.3
95.05045	0.3
97.02953	4.5
97.06622	1.2
98.20727	0.5
99.00891	8.7
101.02441	2.7
109.06600	4.6
110.03770	0.9
111.04517	0.5
112.48354	0.3
113.02470	1.5
119.03545	0.5
123.04548	0.7
123.08178	0.8
125.02451	0.6
125.09745	2.5
135.08189	0.8
136.05295	1.0
142.02757	1.8
145.05045	0.4
151.07693	0.4
158.44563	0.3
161.04575	1.2
161.09744	0.7
163.11295	6.3
163.12584	0.5
164.11688	0.5
171.10100	0.3
181.12346	9.4
189.09181	0.6
197.11914	0.5
199.13394	0.7
207.10274	38.7
208.10646	2.9
225.11339	63.1
226.11671	3.5
235.08228	2.4
243.12408	8.0
243.34341	0.4
244.12776	0.6
253.09276	5.0
259.20703	0.6
262.67697	0.3
267.12338	0.5
277.21741	100.0
278.22095	10.1
285.13364	0.5
299.14725	0.5
317.16003	0.6
443.19226	5.0
444.19614	0.7
461.20337	8.2
462.20700	1.1
538.56219	0.3
540.75153	0.3
559.36389	0.4
577.37543	0.5
659.84192	0.4
703.40485	0.4
721.41699	22.9
722.42108	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	721.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14914	0.9
59.01394	6.2
61.98830	4.0
66.26718	0.9
71.01391	39.0
78.95911	1.9
80.02682	1.2
81.03478	1.6
83.05038	5.8
83.93742	1.0
85.02959	1.4
87.00870	2.0
88.92538	0.9
89.02459	2.8
90.07748	0.9
97.03005	2.2
101.02449	3.9
101.88297	1.1
109.06602	5.8
113.02534	1.3
125.02425	1.3
125.09721	1.5
127.11330	1.1
152.99579	1.5
161.04532	1.5
163.11333	7.4
165.12828	2.0
171.10281	6.7
181.12291	2.8
185.11911	1.6
195.13931	2.3
199.13402	2.1
201.11385	1.5
207.10291	15.9
209.11848	100.0
210.12262	6.6
211.13464	1.4
223.13271	2.3
225.11340	11.3
227.12912	3.9
235.08183	2.1
251.22055	1.0
253.09290	11.6
275.20105	4.2
277.21729	2.6
291.19595	1.4
293.21265	30.9
294.21588	2.6
326.55862	1.1
397.13513	1.5
461.20468	2.1
671.32745	1.7
689.33728	4.3
721.36932	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70411	2.3
57.03458	2.8
59.01385	10.1
61.98837	49.5
66.89413	2.1
71.01389	83.7
73.02962	2.3
81.03459	3.2
83.05025	6.2
85.02957	4.6
87.00896	4.5
89.02467	5.0
96.96017	7.5
97.02995	3.9
97.58694	2.0
98.19946	6.1
99.00888	4.0
101.02472	6.9
105.12590	2.0
109.06608	12.7
125.02472	2.5
125.09718	4.2
129.02007	2.3
163.11356	11.6
165.12878	2.4
171.10304	19.6
177.02000	2.4
181.12341	7.1
197.11794	5.4
199.13420	5.7
201.11349	7.9
207.10271	32.7
209.11841	100.0
210.12155	7.2
211.13434	4.4
225.11345	35.1
226.11731	2.3
227.12964	13.0
235.08272	4.2
243.12280	3.9
253.09331	10.0
461.20279	6.4
653.32043	2.6
671.32892	3.6
689.33459	11.9
690.34393	2.7
721.36652	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	721.366
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52755	0.6
57.03436	1.9
59.01386	6.7
61.98845	7.4
63.94115	0.7
64.18920	0.6
65.16252	0.7
69.03442	0.9
71.01390	6.4
71.04630	0.6
71.05014	3.3
71.53996	0.8
72.99323	0.8
73.02948	1.0
76.64430	0.6
79.46365	0.6
80.02692	1.2
80.96531	1.0
81.03453	1.7
83.05037	4.2
84.02177	1.0
85.02950	2.7
87.00883	0.8
88.98829	0.6
89.02451	3.8
95.05053	1.4
96.96021	5.6
97.02970	3.8
97.06609	2.5
99.00894	17.7
101.02475	4.8
105.04420	0.6
108.95657	0.6
109.06590	2.1
113.02461	1.8
119.03503	0.9
123.08170	2.0
125.02447	1.2
125.06110	0.7
125.09737	6.1
135.08162	1.1
142.02731	0.7
145.10173	0.9
154.11119	0.6
160.13133	0.6
161.04570	0.8
161.14241	0.6
163.10081	1.0
163.11322	13.6
164.11580	0.9
165.12845	1.6
171.10297	13.8
172.10655	0.9
181.10840	1.3
181.12363	15.9
182.12654	1.2
197.11812	1.6
199.13411	8.4
200.13774	1.1
201.11395	0.8
207.10289	25.3
208.10556	1.5
209.11852	49.4
210.12286	4.0
225.11342	32.8
225.13626	1.2
226.11699	2.3
227.12871	5.0
235.08237	0.8
243.12392	19.6
244.12575	0.8
249.10982	2.0
253.09373	2.6
307.21167	0.6
407.19196	0.7
461.20435	3.7
479.21384	6.6
497.27295	0.8
515.28522	1.0
640.59680	0.7
671.32928	2.9
672.33173	1.2
689.33954	100.0
690.34253	21.4
690.46155	1.1
721.37372	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	719.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.1
61.98840	27.1
69.81588	38.5
78.95930	17.9
96.95986	8.4
98.20663	7.5
109.37477	6.8
119.05048	100.0
171.10312	18.0
193.13844	7.3
209.11842	11.0
255.23293	13.1
269.92651	7.1
293.21207	10.4
327.12308	39.3
391.19266	18.4
580.29974	7.5
719.37756	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	719.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65953	0.4
55.01881	0.7
57.03445	0.7
58.00595	0.5
59.01384	4.0
61.98834	6.3
63.60696	0.4
69.03475	0.4
71.01374	3.0
73.02934	0.7
75.68128	0.3
80.02679	1.0
81.03446	1.9
83.01388	2.7
83.05042	4.8
84.02184	1.5
85.02950	1.0
87.00885	0.7
89.02441	2.4
95.05019	0.6
96.96003	1.2
97.02959	0.7
97.06578	0.6
101.02453	2.2
108.54042	0.4
113.02428	2.1
119.03519	0.7
125.02417	0.5
125.06091	0.6
125.09726	2.6
127.11288	0.9
135.08208	1.0
147.11792	0.5
161.04573	1.6
163.11290	5.2
165.12849	3.0
169.12389	0.5
170.63710	0.4
171.10295	2.5
175.57358	0.4
179.05544	0.5
181.12366	0.7
182.13075	0.4
191.10805	2.3
195.10268	0.6
197.11865	0.4
207.10281	0.6
209.11836	100.0
210.12172	7.4
223.13402	0.7
225.11325	0.6
226.12033	0.5
227.12894	10.2
228.13174	0.6
229.19858	0.5
235.08275	3.4
237.51602	0.4
241.14516	1.4
243.15961	0.8
253.09299	11.7
273.17084	85.9
274.17447	6.1
274.47733	0.4
445.20889	0.9
465.28680	1.8
509.25980	1.3
683.56525	0.5
687.32147	0.8
698.77509	0.5
719.35309	1.3
720.34534	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
57.03451	1.8
58.31537	0.9
59.01161	0.7
59.01391	8.6
59.07211	0.8
61.98838	5.6
69.03457	5.8
71.01383	6.3
71.05022	2.6
73.02974	1.0
74.44514	0.9
80.00459	0.9
80.02664	0.8
81.03449	1.7
83.01398	1.5
83.05029	5.7
84.02177	1.4
85.02987	1.5
87.00842	1.4
89.02460	2.4
90.21234	0.8
95.05022	0.8
96.96008	1.8
101.02467	5.5
104.40290	1.0
111.47792	1.0
113.02464	2.2
123.08130	0.9
125.09709	2.1
151.11281	2.9
153.12849	1.9
161.04556	1.1
161.09741	3.6
163.11322	3.7
165.12849	2.9
179.10773	8.8
197.11853	76.4
198.12206	5.6
209.11850	55.8
210.12143	2.7
223.09796	1.4
227.12868	3.5
240.63235	1.0
241.10893	4.9
253.09288	3.2
477.19647	2.1
574.67749	0.9
611.43652	1.1
620.38867	0.9
687.32391	100.0
688.32788	21.1
719.35083	24.5
720.35223	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	719.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	20.8
60.01709	1.0
61.98841	15.0
62.36095	1.0
63.61636	1.1
69.03439	1.9
69.30814	9.2
71.01391	15.8
73.02959	3.7
80.96569	1.0
81.03462	3.2
81.14479	1.0
82.95423	1.6
83.01402	2.0
83.05035	8.3
85.02966	5.1
87.00896	2.5
88.98807	1.3
89.02453	7.6
93.47272	1.1
95.01400	1.9
95.05060	1.6
96.96027	9.6
99.00893	1.8
101.02460	7.6
103.57964	1.1
110.03758	1.0
111.04519	1.3
113.02453	7.0
119.03578	1.6
125.02489	2.0
135.08142	1.2
149.04770	1.2
151.11287	2.4
153.12910	2.1
161.04575	3.7
163.11296	6.0
165.12888	5.4
169.12357	36.4
170.12669	1.2
171.10327	4.7
179.05659	1.5
179.10814	1.5
185.11911	1.3
191.10826	1.9
197.11848	72.8
198.12242	2.9
209.11842	100.0
210.12206	7.6
213.11322	1.6
215.93089	1.1
223.09831	2.8
227.12881	10.5
253.09326	8.2
273.17322	1.6
291.19778	3.2
302.04752	1.2
341.90610	1.2
402.34225	1.2
402.69104	1.5
488.17401	1.1
513.26965	12.6
514.27258	2.7
620.02356	1.2
669.31537	2.1
687.32404	76.5
688.32721	16.6
719.35071	71.5
720.35388	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79645	2.3
52.55038	2.7
57.77641	2.2
59.01380	9.7
69.89814	7.6
69.90199	5.9
71.01385	5.8
75.00943	2.5
89.02444	10.0
101.02439	2.8
102.57192	2.8
111.81654	2.6
113.02422	4.6
119.03526	4.4
155.45671	2.9
179.05621	4.0
215.01361	3.3
215.03354	8.2
245.04634	2.6
341.10904	31.0
341.17169	3.5
377.08575	100.0
378.08682	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	717.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22488	2.3
56.67830	2.3
59.01384	4.8
59.86845	2.7
61.98837	77.3
71.01396	5.8
72.06856	2.9
83.05007	2.4
85.02976	2.7
89.02467	4.1
95.48330	2.7
95.91281	2.6
96.96030	8.0
98.19859	6.7
98.95574	2.8
101.02447	3.1
113.02473	3.5
134.83517	2.8
154.50015	2.5
171.10263	8.9
172.07726	2.8
183.13882	3.1
183.22197	3.2
185.11598	2.9
193.12338	3.1
209.09912	5.9
209.11841	100.0
210.12233	5.9
211.11504	5.7
211.13409	76.9
212.13742	3.9
227.12915	10.6
235.08218	4.7
253.09352	6.5
255.99113	2.8
447.22534	3.8
509.23071	3.1
539.01202	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	717.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70016	0.8
59.01387	1.9
59.30065	0.8
61.98836	1.8
65.50807	0.8
65.52409	0.9
71.54408	0.9
93.03477	1.8
95.01405	2.2
96.96037	1.3
103.00632	0.9
115.92073	1.0
116.92891	4.7
117.03494	1.2
119.05039	100.0
120.05405	4.1
121.02924	0.8
123.00905	1.0
130.04245	2.9
137.02441	2.0
143.05037	1.8
144.05789	1.0
145.02985	2.8
145.06575	2.7
150.03180	1.1
157.06604	2.5
159.08130	2.4
161.02388	1.4
163.04004	1.6
165.09238	4.6
170.02226	4.7
171.10350	1.8
181.12363	1.0
186.03281	1.6
187.03938	1.1
187.11273	1.3
201.11470	0.9
207.10278	15.4
225.11343	3.1
227.14380	2.9
241.05095	2.0
253.09305	1.2
255.23355	12.8
256.23560	1.3
271.13409	17.4
272.13620	1.9
287.16586	3.1
289.14468	15.1
310.12094	3.2
311.12936	6.8
312.13705	1.1
325.14459	22.7
326.14792	3.1
391.19165	91.1
392.19522	14.3
507.25854	1.0
509.23709	1.2
525.26440	3.0
717.33398	2.0
717.37244	1.4
717.44373	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	717.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46033	0.9
59.01374	3.6
62.01317	0.7
63.92285	0.7
71.01393	3.7
71.54959	1.0
75.00928	1.1
78.95911	1.4
85.02955	4.3
89.02495	1.0
93.03467	2.7
96.96024	2.3
101.02451	1.7
108.02214	1.6
113.02497	1.8
119.05022	0.9
120.72691	0.8
121.02965	7.8
122.03757	15.6
123.00916	1.1
123.04546	2.2
132.02232	0.9
133.02960	3.3
134.03708	1.6
135.04547	1.8
136.01630	1.2
137.02478	2.4
147.04518	5.2
148.05173	0.9
149.02461	19.6
149.06041	1.7
150.03247	100.0
151.03647	5.5
158.03796	1.7
159.04567	4.3
160.05350	9.6
161.06050	3.5
162.03235	1.3
163.04042	3.7
164.04825	6.0
165.05591	98.1
166.05978	4.1
173.06104	2.6
175.04094	1.4
175.07669	10.8
176.04782	1.4
177.05576	5.0
178.06363	3.7
180.04282	5.8
181.05023	2.8
185.03743	0.8
191.01997	1.6
193.08655	1.4
195.06653	64.7
196.06982	3.2
214.34416	0.9
270.08841	1.4
329.13971	36.6
330.14279	4.8
359.15439	1.2
447.18146	3.1
459.18124	1.2
477.19238	33.6
478.19495	4.9
507.20074	5.1
525.21332	47.4
526.21600	10.3
555.22430	9.7
556.22382	1.8
617.32074	0.9
717.21716	1.5
717.34827	1.0
733.76776	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12576	0.3
53.90770	0.3
57.03442	0.4
59.01382	2.2
61.98826	1.6
69.50887	2.1
69.51289	0.8
71.01384	1.0
72.00484	0.4
75.00886	0.4
76.86117	0.3
83.55320	0.3
85.02948	0.9
89.02460	0.8
96.96017	1.3
108.02206	1.0
113.02457	0.4
120.01266	100.0
121.01587	1.2
125.02507	0.9
149.02373	0.5
150.03235	0.9
151.03995	0.5
152.01184	1.5
165.05615	0.9
167.03487	0.7
177.01852	0.4
192.99631	0.4
193.05048	0.4
219.79076	0.4
220.09821	0.8
241.05452	0.9
250.10905	0.6
285.04056	0.5
353.08783	0.4
676.60547	0.4
681.37445	0.9
716.34546	0.5
717.20270	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.5
60.37493	2.6
61.98820	2.6
69.03464	4.2
71.54263	3.1
80.20546	2.2
80.87293	2.4
86.93169	2.8
96.96024	58.6
101.02418	2.7
113.02448	2.6
119.03529	2.6
150.22206	2.4
161.09674	3.6
170.25137	2.4
179.10741	5.8
187.11374	3.3
197.11833	34.8
209.11981	3.9
253.09399	3.5
255.23337	70.0
256.23743	7.2
459.18774	2.7
641.87946	3.3
715.42853	100.0
716.43060	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	715.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32988	1.1
57.03457	1.9
59.01384	8.8
59.15455	1.1
61.98833	2.8
68.99577	15.8
71.01392	10.5
71.16751	2.3
72.99303	4.0
75.00884	10.5
85.02962	12.9
87.00899	6.1
89.02439	2.3
95.01390	2.6
99.00899	8.0
112.98590	12.9
113.02478	9.8
115.00340	1.5
117.01930	1.1
165.12811	5.3
166.06732	1.1
175.02490	1.3
183.13922	42.0
184.14151	1.3
194.72003	1.1
209.11752	1.3
219.75758	1.1
227.12898	1.9
255.23334	67.9
256.23682	7.2
459.18448	1.1
505.30096	2.0
539.39301	1.4
653.42627	4.6
697.41669	1.9
715.42792	100.0
716.43182	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	715.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58117	2.3
58.59471	2.7
59.01377	9.9
61.98827	5.4
65.25620	2.2
67.68181	2.2
68.99574	27.5
69.33475	20.8
70.78806	2.1
71.01397	12.0
72.99329	3.9
75.00883	11.0
79.77628	2.4
80.17198	2.6
85.02950	10.0
87.00887	3.1
95.01395	3.4
99.00874	12.2
112.98592	23.8
113.02450	9.4
143.28859	2.3
165.12823	5.1
171.85432	2.1
183.13924	36.7
189.40735	2.3
212.84396	2.4
222.36949	2.8
241.90747	2.7
255.23325	64.8
256.23657	7.7
276.57211	2.6
503.49802	2.7
539.39459	2.6
652.97491	2.8
653.42352	3.9
715.42810	100.0
716.43048	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
76.88563	0.7
91.01904	35.0
91.87268	0.5
92.02232	1.1
92.57751	0.5
96.95985	0.7
109.02934	1.4
109.06630	0.9
116.26190	0.6
117.03510	1.0
119.05036	85.2
120.05367	3.3
120.06135	0.6
132.05821	30.5
133.06293	0.5
135.00899	51.9
136.01221	1.7
145.02982	1.4
149.02440	0.8
153.01955	24.6
154.02280	0.8
157.06622	0.6
159.10258	1.9
164.04803	21.1
165.05122	1.3
173.06136	0.7
175.87982	0.6
183.08121	0.7
187.11299	92.0
188.11639	5.4
196.58372	0.6
203.07213	1.2
227.14467	3.7
253.21629	1.8
255.06665	12.3
255.17577	2.6
255.61482	0.7
256.06955	0.7
271.13416	16.5
272.13699	1.6
277.21664	1.1
285.15073	0.7
289.14474	8.2
290.14795	0.9
299.05661	1.2
323.12906	100.0
324.13248	10.3
391.19177	71.0
392.19586	8.4
459.25421	20.6
460.25797	2.7
617.20093	0.7
715.42804	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51585	4.7
69.51995	2.7
78.51749	1.0
91.01909	31.1
97.29947	1.0
109.02955	2.4
119.05047	62.6
120.05374	2.8
127.02556	1.1
130.04257	1.2
132.05836	21.6
135.00900	41.9
136.01231	1.4
143.05063	1.2
145.02957	1.7
145.06604	2.6
149.02339	1.1
153.01967	24.6
157.06668	1.4
159.08167	1.7
164.03499	1.9
164.04799	19.0
187.03888	2.2
187.11302	85.6
188.11629	5.0
201.05591	1.7
227.14470	2.2
245.15269	1.2
253.21739	2.1
255.06668	8.6
256.06940	1.2
271.13443	14.6
289.14548	10.3
291.13907	1.3
323.12906	100.0
324.13232	10.4
335.91608	1.2
367.11859	1.8
391.19174	63.8
392.19406	8.5
449.01770	1.1
459.25516	12.6
460.25687	2.5
715.43207	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	1.1
85.04104	0.8
91.01904	56.2
92.02217	1.4
98.27454	0.7
104.23449	0.6
108.02229	1.4
109.02939	1.7
112.76035	0.7
119.05033	3.1
132.05827	29.6
133.06630	4.1
135.00902	81.5
136.01242	3.0
145.06548	0.8
149.02411	0.9
151.03984	1.1
153.01955	31.5
153.06847	0.7
154.02222	1.2
157.06236	1.3
158.03755	0.7
164.04797	21.4
165.05147	1.0
185.09833	1.0
187.11301	64.8
188.11627	4.0
202.41020	0.7
203.07225	0.8
223.07684	1.0
255.17570	44.6
256.17941	4.1
262.04507	0.6
323.12906	83.8
324.13205	8.3
391.19189	100.0
392.19473	13.6
427.27121	0.8
499.67740	0.9
651.57117	0.7
715.32703	0.7
717.77081	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28058	0.6
65.00324	0.8
70.17070	2.4
85.37720	0.7
86.75204	0.6
91.01905	37.7
92.02236	0.9
93.03476	0.7
93.47838	0.6
96.12356	0.5
104.01270	0.6
109.02968	0.7
119.05038	74.0
120.05373	2.9
130.04253	2.0
132.05826	31.0
133.06133	0.9
135.00894	53.9
136.01236	1.8
143.05023	1.6
145.02943	0.7
145.06577	2.4
149.02458	0.9
153.01958	20.4
157.06601	1.4
159.04518	1.5
159.08200	2.3
161.02409	1.2
162.03300	0.8
164.04803	18.2
165.05084	0.8
171.08157	0.7
187.04062	1.5
187.11298	91.4
188.11655	6.6
227.14438	2.6
235.07672	0.7
255.06639	7.3
256.06992	0.8
267.06573	1.0
271.13416	18.2
272.13773	1.5
289.14465	9.8
290.14771	1.0
291.13937	1.4
323.12909	100.0
324.13248	10.4
391.19171	65.0
392.19504	8.2
397.56677	0.8
459.25449	15.3
460.26001	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	713.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93792	1.9
57.03448	3.8
59.01386	11.7
59.31527	2.2
67.07237	2.3
71.01373	14.3
72.99294	6.3
75.00875	20.9
85.02950	18.0
87.00859	5.7
95.01360	4.7
97.02946	3.8
99.00885	10.1
113.02477	16.9
175.02452	4.1
181.12325	7.5
201.08899	2.7
207.10291	19.3
225.11351	18.1
249.06247	3.8
251.27818	2.4
255.23317	62.7
256.23663	7.6
264.66916	2.6
451.48520	2.6
505.30228	5.8
669.41901	6.3
670.43866	2.7
713.41205	100.0
714.41437	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	713.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
82.14011	0.4
82.24421	0.3
98.19843	0.9
257.95273	0.4
288.22101	0.4
677.49866	3.0
678.50140	0.8
713.47424	100.0
714.47742	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	713.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60040	0.7
57.03456	4.1
59.01377	4.6
59.41985	0.8
70.07645	3.0
71.01395	7.1
72.99323	1.0
74.28655	0.8
84.02162	1.0
85.02959	44.1
86.03260	0.8
87.00858	0.8
89.02454	3.3
98.20563	1.0
103.00373	1.2
129.01958	2.0
133.01447	4.9
135.04529	2.1
136.49170	0.9
147.02971	2.5
154.80148	0.7
168.71884	0.7
179.03470	1.4
191.02003	14.5
203.05721	0.8
209.03041	100.0
210.03424	4.7
371.06226	10.8
372.06088	0.9
395.24313	0.8
407.08075	0.8
539.83234	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51728	1.8
59.01394	30.0
68.95242	1.6
71.01391	27.6
71.38767	1.7
72.99329	1.9
73.02961	4.8
83.01367	2.9
85.02975	5.4
87.00883	5.2
89.02460	27.9
95.01408	1.8
96.95972	2.5
97.02957	4.5
101.02454	19.1
113.02469	7.8
113.19977	2.1
119.03505	8.5
125.02471	9.1
137.59352	2.0
143.03531	3.9
157.12814	1.8
161.04594	7.2
174.47324	1.8
179.05573	4.2
235.08290	10.8
255.23322	72.3
256.23700	7.7
287.07739	3.3
305.08868	4.8
323.09796	2.2
372.27695	2.4
397.13556	100.0
398.13693	10.9
415.14636	31.3
417.52670	2.0
653.37555	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	711.382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.2
57.03453	5.6
58.00600	2.0
59.01387	89.8
61.98834	19.9
69.03460	2.0
71.01388	51.5
72.99319	2.8
73.02954	16.4
74.11995	1.9
75.00881	3.7
75.87080	1.7
78.15369	2.1
83.01416	10.1
85.02959	33.3
86.00099	3.1
87.00902	5.4
89.02451	12.4
95.01393	5.2
96.96024	4.3
97.02991	5.8
99.00893	7.5
101.02463	34.7
111.00900	7.6
112.01690	2.1
113.02461	18.2
119.03507	3.5
124.01671	3.2
125.02483	10.8
127.52583	1.7
129.01961	3.7
143.03529	6.0
150.07047	1.8
161.04585	3.8
191.01996	3.0
209.11830	4.1
255.96082	1.9
265.10602	2.7
283.72198	1.9
301.27655	3.3
425.03690	1.9
435.72470	1.9
445.31366	2.9
463.32843	13.6
571.35040	2.9
607.37042	100.0
608.37469	21.6
625.38086	82.9
625.48615	3.1
626.38495	17.5
651.39667	13.5
667.39508	24.1
668.39813	6.9
669.40717	8.8
670.41156	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	711.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97157	7.2
52.12018	7.2
59.01385	52.4
61.19459	8.2
61.98830	16.1
71.01385	19.9
71.54579	8.8
77.56306	7.0
85.02938	15.2
96.96028	29.9
113.02460	12.8
119.05016	16.1
125.02446	27.2
126.03103	7.8
139.03993	8.1
139.94905	6.9
143.60976	7.4
145.66327	7.7
152.17567	7.2
182.85172	7.4
195.93193	7.6
197.11868	76.9
201.11330	9.9
207.10385	10.7
209.11855	100.0
211.13405	71.8
219.06653	8.6
225.11348	16.1
227.12839	41.3
253.09334	18.9
255.02960	11.2
305.06677	44.3
305.52188	9.7
433.20947	15.9
442.60809	7.9
445.21014	9.9
447.22614	9.1
546.59076	9.0
597.18018	10.0
625.32098	9.8
654.77203	8.4
669.40314	10.4
711.34155	40.4
736.67444	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	711.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55652	1.1
55.01875	1.7
57.03436	2.8
59.01386	53.2
61.98836	100.0
71.01389	33.2
71.54771	1.2
72.99287	3.1
73.02956	8.3
83.01395	7.5
85.02954	16.3
87.00871	4.8
87.47008	1.2
89.02440	10.5
95.01400	3.7
95.09750	1.3
95.35345	1.1
96.96024	5.5
97.02941	2.4
99.00883	4.3
101.02447	22.0
111.00869	2.1
112.01646	1.6
113.02442	14.9
119.03493	5.2
124.01659	1.4
125.02458	6.9
143.03487	3.5
159.03033	1.4
161.04520	3.5
166.35258	1.4
171.10265	2.7
179.05510	1.3
191.01949	2.2
197.11855	1.9
207.10219	1.4
209.11864	12.7
210.12170	1.5
211.13425	2.3
227.12843	4.2
247.09576	2.3
253.09123	1.6
265.10583	2.5
291.03287	1.3
299.25980	1.7
301.27374	1.5
362.81738	1.3
372.61115	1.2
376.64804	1.1
445.20871	1.8
445.31619	3.3
463.32999	7.9
585.15253	1.2
607.37024	56.3
608.37524	11.6
625.38104	54.2
626.38672	9.6
637.32501	1.6
651.38806	1.7
667.39276	13.5
668.38971	2.7
711.38727	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	711.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29911	0.4
57.03445	1.6
58.00344	0.6
59.01386	1.6
69.09268	0.4
71.01379	0.8
71.38792	0.5
71.54176	0.7
72.99313	5.9
75.00876	0.5
81.03457	0.5
85.02962	9.5
87.00898	2.3
89.02411	0.4
91.05546	1.5
93.03474	1.3
95.01378	0.5
95.05038	0.4
96.96009	1.2
97.02956	0.5
101.60909	0.5
105.03489	0.6
106.04248	1.4
107.05040	8.0
108.02213	0.8
109.02982	2.5
115.05509	0.6
116.31785	0.5
116.92870	1.2
117.03490	1.6
119.05042	1.0
121.02974	2.5
123.04539	1.5
125.02431	2.0
129.01935	1.1
131.05028	1.6
133.02971	1.9
133.06621	4.3
135.04547	2.2
137.02412	0.8
147.03008	1.9
149.02435	0.8
149.06097	24.8
150.06476	1.1
151.03990	0.9
159.04523	0.5
160.47578	0.5
163.04021	4.0
177.01965	20.4
177.05577	14.6
178.02307	1.2
178.05992	1.1
179.03522	23.1
180.03912	1.1
187.03894	0.7
191.02000	6.8
193.05042	0.7
195.06578	1.7
196.10242	0.6
203.07040	0.5
205.05081	0.8
209.03049	2.8
210.08932	0.5
221.04556	0.5
235.83478	0.5
239.05632	100.0
240.05902	5.1
241.08681	0.9
245.08362	1.0
289.07239	7.4
295.17017	0.5
320.11514	0.5
327.08667	1.5
369.05908	0.5
451.28491	0.5
471.11377	8.5
472.11798	1.2
500.28992	0.5
519.11432	0.8
570.13544	0.5
711.17230	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
55.13905	0.3
57.03446	0.7
57.92917	0.3
58.00596	0.3
59.01387	100.0
60.01728	1.0
69.03494	0.3
71.01390	9.5
71.55161	0.4
72.99316	0.6
73.02953	3.7
83.01385	1.6
85.02956	5.5
87.00919	0.4
89.02476	0.7
95.01413	0.8
96.96031	0.4
99.00908	1.3
99.87066	0.3
101.02455	7.8
107.25876	0.3
113.02465	4.1
116.92868	1.9
125.16943	0.3
143.03555	0.5
159.03036	1.0
161.04579	4.7
184.82742	0.3
191.02007	0.6
265.60080	0.3
269.10321	9.8
269.13022	0.5
270.10580	0.8
311.11346	5.2
312.11627	0.4
362.54330	0.3
447.45004	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58818	8.9
57.40885	9.2
59.01392	58.6
61.98821	15.3
69.75417	52.9
71.01391	22.9
79.09600	8.4
79.62906	8.0
84.15541	8.2
85.02949	15.5
86.34601	8.4
89.02428	15.9
96.26308	8.4
96.96017	23.6
98.19969	18.8
108.36672	8.8
138.33768	9.2
151.71074	9.1
170.07599	9.2
171.10222	12.7
188.03563	9.9
197.11861	95.3
199.13232	11.5
209.11850	100.0
211.13394	31.2
224.31039	9.6
227.12856	35.8
253.09328	10.7
544.71533	10.4
550.11017	10.9
651.37482	14.1
711.32935	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.0
57.03458	13.3
59.01391	8.0
66.36446	1.1
70.26406	3.2
70.26794	2.4
71.01377	3.2
72.99343	1.6
75.00889	2.3
83.01411	1.7
84.02159	4.1
85.02962	100.0
87.00883	1.4
94.10413	1.2
119.05016	5.2
129.01952	6.5
147.02986	11.9
161.87315	1.1
163.04012	3.7
165.05769	1.4
191.02005	51.6
192.02307	1.5
209.03052	35.4
210.03496	2.4
262.14615	1.6
355.06696	19.0
356.06964	2.2
392.64609	1.4
437.05264	1.5
597.49634	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
57.03450	10.4
59.01384	7.4
69.42739	6.7
71.01389	8.4
72.99319	1.9
75.00874	1.1
83.01393	1.5
84.02166	2.1
85.02957	85.9
86.03288	2.4
87.00866	1.2
87.22020	0.9
87.57464	0.9
87.73124	0.9
89.02454	3.9
103.00384	2.0
119.05025	1.4
129.01956	4.5
133.01450	6.0
147.03011	9.9
163.03963	1.2
174.54346	0.8
188.39989	1.0
191.01993	35.3
192.02423	1.5
195.10954	0.9
209.03041	100.0
210.03374	3.6
219.87502	0.8
233.38161	0.8
239.05745	1.3
355.06671	15.9
526.28345	0.9
539.56470	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96355	0.1
61.98838	100.0
62.98544	0.2
68.00577	0.2
70.58485	0.4
82.43897	0.1
91.01907	1.9
91.29675	0.2
93.81107	0.1
132.05815	1.3
135.00900	4.0
153.01961	1.6
164.04796	1.1
187.11293	5.8
188.11699	0.4
262.49503	0.2
271.74161	0.1
304.15073	0.1
311.80768	0.1
323.12918	9.9
324.13196	0.9
384.20541	0.1
415.41043	0.2
513.62677	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86167	0.2
59.01388	0.7
59.73603	0.2
61.98838	100.0
91.01896	1.3
98.20726	0.5
119.05036	3.6
132.05850	1.3
135.00883	2.2
153.02000	1.3
159.08119	0.4
164.04837	0.7
187.11301	4.3
197.11856	0.6
203.07225	1.1
203.14767	0.3
209.11862	0.5
221.08278	0.7
255.06827	0.5
293.21432	0.3
323.12912	11.1
324.13217	1.4
370.38699	0.3
391.19193	0.7
415.14758	0.7
679.92120	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.6
57.03452	1.0
59.01386	6.8
68.99593	0.4
69.03455	0.5
71.01390	5.8
71.53944	0.9
72.99302	0.5
73.02959	1.1
78.95927	1.0
81.03481	0.4
83.01392	1.0
83.05036	0.8
85.02953	1.3
87.00863	0.8
89.02444	4.8
95.05020	0.5
97.06599	3.2
101.02467	4.2
103.04070	0.4
113.02477	2.7
119.03534	1.1
133.10181	0.4
136.78052	0.4
149.09689	0.8
151.11293	12.7
152.99564	0.7
161.04588	1.4
169.12352	100.0
170.12683	5.6
179.05588	0.8
195.10310	2.3
209.11792	0.9
213.11324	12.9
214.11711	0.5
235.08266	1.7
243.03641	0.4
253.09283	3.5
277.21729	26.1
278.22092	2.6
279.23254	1.2
287.15063	0.5
431.19171	3.2
449.20276	10.7
450.20685	1.5
473.17517	0.6
525.06067	0.4
547.36310	0.8
709.41711	97.2
710.42017	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.7
59.01388	6.1
61.98823	1.1
69.03481	0.8
71.01373	4.7
71.30875	1.3
73.02966	0.8
78.95912	1.2
83.05018	1.3
85.02954	1.6
87.00877	2.0
89.02444	2.3
90.40258	0.7
95.05035	1.2
97.06602	5.7
99.76953	0.8
101.02457	4.4
103.03961	0.9
109.06618	0.9
113.02457	1.3
123.59869	0.7
138.45111	0.8
145.05083	0.9
145.81030	0.7
149.09763	0.9
151.11298	18.9
152.99590	1.7
161.04536	1.2
169.12355	53.6
170.12677	2.5
195.10318	5.7
201.11299	2.0
209.11909	1.8
213.11395	7.1
235.08202	1.8
253.09267	3.8
277.21747	55.1
278.22119	5.4
279.23361	1.7
431.19174	3.2
434.64868	0.8
449.20242	2.8
473.18182	1.4
570.68695	0.9
592.71930	0.9
709.41699	100.0
710.42084	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32423	1.3
59.01366	3.8
61.98809	3.8
70.17048	3.3
70.17440	2.1
71.01391	7.7
71.46458	1.2
78.98588	7.2
79.95754	11.6
80.96528	75.8
83.57285	1.2
85.02938	2.8
87.00864	3.3
94.98099	14.9
96.96024	12.4
101.02441	1.6
106.98093	1.7
122.97559	3.7
125.02415	2.9
134.97556	4.7
136.99118	2.0
148.99095	6.0
152.98593	5.3
164.98663	11.0
169.76682	1.3
171.10167	2.2
206.99678	2.4
225.00780	15.8
255.23238	1.6
279.23160	2.3
309.14871	1.5
429.79968	1.3
443.22928	1.3
535.23401	1.4
537.27985	1.8
682.77765	1.5
709.38074	100.0
710.38403	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	709.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.7
57.03439	6.9
58.00598	2.8
59.01388	100.0
60.01733	2.6
61.98840	19.4
66.89719	2.2
69.03438	4.8
71.01389	77.1
72.01700	3.0
72.99313	7.2
73.02969	19.8
75.00877	5.7
78.95939	5.5
81.03457	2.6
83.01398	15.8
83.05031	4.2
85.02959	43.9
87.00877	10.2
88.98832	2.8
89.02448	26.4
92.80117	2.5
95.01393	6.7
96.96015	13.9
97.02963	5.3
97.06582	2.3
99.00867	9.0
101.02458	48.9
109.06664	2.5
111.00874	7.5
113.02453	35.5
115.04002	2.6
119.03517	6.9
121.03001	4.3
124.01704	3.7
125.02449	15.6
125.09830	2.5
129.01939	5.2
143.03516	9.7
159.03069	3.2
161.04535	9.7
171.10246	6.6
179.05605	5.9
183.13879	6.6
185.11937	2.8
191.01924	2.9
207.10255	2.6
209.11838	27.0
210.12096	6.0
225.11356	3.6
227.12987	11.1
227.28366	2.5
253.09369	5.4
291.04642	2.7
299.25934	3.6
311.22318	23.1
312.22406	3.6
415.14316	5.8
443.30042	4.9
461.31107	8.8
487.33841	12.4
505.33878	5.7
509.30759	2.9
605.35535	78.3
606.35736	14.4
623.36481	51.9
624.37097	11.6
637.32239	5.4
649.37976	49.2
650.38245	14.5
665.37213	9.7
667.39075	28.4
668.39465	5.4
677.32776	3.8
709.34045	13.1
710.32880	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	709.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31517	1.9
55.01875	4.1
57.03445	8.3
57.07843	2.0
58.00586	3.5
59.01387	100.0
61.98833	12.9
69.03461	2.4
71.01392	80.9
71.60850	2.1
72.99314	8.4
73.02956	22.2
75.00845	4.8
78.10299	2.1
78.95911	5.5
81.03468	1.9
83.01392	16.0
85.02962	49.8
85.06947	2.1
86.00102	3.5
87.00896	10.6
87.04492	5.1
88.98808	6.0
89.02451	28.4
95.01385	9.0
96.96014	7.5
97.02966	5.0
99.00888	7.0
101.02460	52.5
111.00880	7.9
112.01645	2.3
112.30432	2.3
113.01145	2.1
113.02470	38.4
119.03487	9.9
125.02457	12.5
129.01956	3.2
136.74437	2.0
143.03522	9.8
159.03075	3.1
161.04538	10.5
171.10309	4.3
179.05608	3.1
191.01949	3.1
209.11867	11.2
223.16994	6.6
227.12834	7.4
253.09515	2.5
264.75644	2.1
299.26025	3.2
311.22339	29.1
312.22867	3.4
352.37720	2.3
415.14407	6.3
417.25027	3.0
461.31387	6.7
487.32709	9.3
505.33795	8.1
509.31268	3.1
553.66241	2.5
603.74615	2.2
605.35474	72.0
606.35474	14.9
623.36475	52.0
624.36945	11.1
629.39148	2.6
637.32153	3.4
649.38062	66.0
650.38507	11.1
665.37146	7.1
667.39154	40.0
668.39349	6.3
677.33441	4.4
709.32184	13.3
710.31042	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	709.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.2
60.70749	1.6
61.98835	2.7
71.01392	5.1
78.95922	1.9
83.05017	1.8
85.02984	3.0
89.02494	1.8
101.02455	3.9
152.61836	1.7
159.67537	1.6
163.11259	1.9
165.12973	2.0
171.10318	15.0
186.21487	1.7
207.10294	2.6
209.11847	100.0
210.12120	4.9
227.12917	24.5
235.08231	3.2
253.09258	7.2
445.20810	5.2
475.35498	1.8
566.45935	1.7
637.31989	3.5
709.31360	14.4
710.32654	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	709.321
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14863	2.0
59.01378	12.3
62.14919	2.2
69.52420	11.9
71.01394	10.6
73.02973	4.5
78.95902	8.5
83.05072	2.0
87.00863	2.2
89.02460	6.1
96.96015	9.6
96.96972	2.7
97.02987	2.6
101.02477	6.8
103.11520	1.7
106.12161	1.5
109.06598	7.4
113.02483	3.2
117.79372	1.6
119.05080	3.3
125.06185	1.8
125.09760	2.3
127.11326	1.9
130.72908	1.7
137.09712	3.3
137.21249	1.6
145.05057	2.1
146.01094	1.7
152.99626	4.9
161.04510	2.7
163.11269	3.5
171.10324	13.5
179.05701	2.0
181.08699	4.6
183.13893	13.0
193.12323	2.6
199.09772	43.0
200.10240	2.0
207.10262	19.3
209.11838	9.1
211.13411	100.0
212.13776	4.3
215.12941	2.6
217.10643	1.7
225.11363	13.1
227.12869	2.3
235.08356	9.0
253.09360	10.1
339.12427	7.2
357.20905	2.2
373.24783	1.8
375.21826	5.3
383.22006	2.2
393.22266	2.6
401.23398	5.5
405.81375	1.6
417.17505	4.0
435.18604	8.3
443.19080	3.3
447.22433	5.2
461.20334	6.4
476.60367	2.2
593.29926	4.6
611.30444	6.9
629.31897	5.3
637.32263	8.3
655.33411	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	709.294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
57.03454	3.7
57.35767	0.7
58.00609	0.7
59.01385	39.3
68.99825	1.4
69.03453	1.5
69.99179	2.9
71.01388	24.7
72.99310	5.2
73.02946	2.7
75.00884	11.2
75.03060	0.8
83.01389	2.1
84.81602	0.6
85.02958	31.1
87.00883	9.3
89.02456	9.2
91.03969	0.8
92.61127	0.7
95.01405	5.8
96.96014	5.2
99.00898	8.1
101.02489	3.4
103.00384	2.5
111.00913	2.4
112.01688	0.9
113.02464	39.5
114.02808	0.9
115.00362	1.1
116.92908	0.8
117.01961	1.7
125.02492	0.8
129.01952	2.1
131.03496	1.7
137.02466	0.9
147.02997	0.9
152.73203	0.7
153.01913	1.0
167.03586	0.8
175.02467	2.4
191.01952	0.8
193.03543	3.2
205.07243	2.3
207.05109	1.8
213.78046	0.9
236.91330	0.7
247.08182	1.1
249.06154	8.8
267.07236	100.0
268.07504	5.6
279.16708	0.9
284.87177	0.7
287.09735	1.0
291.07291	10.5
311.10367	0.7
335.06244	20.9
335.12463	1.5
336.06479	0.9
337.49374	0.8
383.21707	0.8
517.19330	1.2
522.60614	0.8
577.29010	0.8
649.31085	1.0
665.26624	1.8
691.25934	2.2
709.29340	28.7
710.30029	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	709.294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03458	3.5
57.03692	0.6
58.89741	0.6
59.01387	35.3
59.27846	0.6
67.55374	0.6
68.99819	0.9
69.03436	1.3
69.92796	3.1
71.01391	26.1
72.99313	4.2
73.02956	3.0
75.00887	11.4
77.37505	0.7
78.69987	0.6
82.75787	0.6
83.01405	1.9
85.02966	28.5
86.03307	1.3
87.00887	9.1
88.98829	1.2
89.02460	10.0
91.04032	1.3
95.01422	5.6
96.96040	3.2
99.00899	7.6
99.92676	0.7
101.02449	4.0
103.00385	3.8
109.03011	1.0
111.00856	1.9
112.01697	0.9
113.02465	39.7
114.02813	1.3
115.00388	1.7
116.92896	1.9
117.01969	2.1
125.02448	1.0
127.03943	0.6
129.01950	3.0
131.03494	1.8
141.95758	0.8
149.04517	0.9
157.01421	0.8
175.02493	2.2
193.03610	3.0
193.05124	0.6
203.23248	0.6
205.07213	2.6
207.05132	1.4
207.44313	0.6
247.08191	1.3
249.06184	9.0
267.07239	100.0
268.07526	4.7
273.06152	0.9
287.09436	1.1
291.07220	11.3
292.07635	1.0
335.06229	23.3
335.12473	1.2
336.06543	1.4
649.30902	0.7
665.27258	1.5
691.26447	1.5
709.29303	31.1
710.29816	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	709.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
57.03448	3.0
57.23493	0.7
58.00598	1.2
59.01385	35.6
61.21555	0.7
67.01912	0.6
67.58263	0.6
68.99815	1.6
69.03454	1.5
69.18965	6.3
71.01390	26.4
72.99306	6.1
73.02557	1.1
73.02953	15.2
75.00884	15.5
81.03458	1.0
83.01392	4.8
85.02961	20.8
86.03285	0.8
87.00892	6.5
89.02461	8.6
93.03444	1.0
95.01395	4.4
96.96017	4.9
97.02961	0.8
98.20669	1.4
98.95574	0.8
99.00883	8.9
101.02448	11.8
103.00374	1.5
113.02463	19.3
116.92868	1.0
117.01909	1.7
119.03483	1.6
125.02480	0.7
129.01961	1.5
131.03552	1.5
135.86574	0.5
149.04533	0.8
175.02481	1.4
193.12335	2.2
193.77629	0.6
211.13350	0.9
249.06142	11.0
250.06108	0.6
267.07248	6.7
277.00922	0.8
328.04636	0.7
334.53687	0.7
373.18707	1.5
415.19672	2.3
493.97302	0.7
608.77051	0.7
615.40894	0.7
623.25830	2.7
624.26544	0.7
647.25409	2.2
665.26672	100.0
666.27057	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.2
57.03453	3.0
59.01385	29.1
60.37909	0.5
61.98856	0.5
68.99837	1.0
69.03469	1.0
69.85988	2.3
71.01390	24.6
72.99319	4.9
73.02940	3.1
75.00877	11.3
81.03460	0.9
83.01427	1.7
84.02193	0.7
85.02959	29.7
86.03352	0.5
87.00883	8.6
89.02454	8.5
91.04050	0.8
95.01389	4.9
96.96027	1.5
99.00891	7.4
101.02452	3.6
103.00360	2.7
111.00930	1.6
112.01660	0.6
113.02465	35.6
114.02845	0.7
115.00411	1.4
117.01985	2.3
119.03485	0.6
119.05080	0.7
125.02467	0.6
129.01973	3.9
131.03552	1.0
134.03763	0.9
135.04576	0.6
137.02437	0.7
147.03058	1.3
149.04613	1.0
149.13535	0.4
151.07715	1.1
151.66638	0.5
153.01967	0.6
157.01369	0.9
159.02998	0.6
159.11259	0.5
161.02533	0.5
175.02484	2.3
178.24501	0.5
179.03535	0.7
191.02014	1.5
193.03563	2.9
193.05107	1.0
205.07080	2.5
207.05128	1.1
209.02913	0.6
247.08151	0.8
249.06148	6.9
267.07227	100.0
268.07697	3.9
291.07248	7.2
335.06235	19.8
336.06461	1.3
360.10330	0.6
425.09192	0.7
469.14621	0.6
547.16443	0.6
611.57117	0.5
664.40100	1.0
665.26575	2.7
665.38672	1.1
709.25629	17.1
710.25659	2.3
722.67786	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.3
57.03455	12.9
58.00578	0.3
58.03773	0.3
59.01387	7.8
61.98840	2.2
67.01899	0.4
68.99825	0.6
69.03474	0.3
71.01393	5.2
71.55530	0.4
72.99326	1.3
73.02942	0.6
75.00882	1.4
75.92023	0.2
83.01387	2.5
84.02178	2.4
85.02960	100.0
86.03298	1.9
87.00891	2.0
89.02440	1.4
89.18447	0.2
96.96041	2.0
98.95572	0.3
99.00903	0.4
101.02456	1.6
103.00371	1.5
108.02172	0.4
111.00890	3.1
113.02470	1.8
115.00353	0.3
117.03460	0.3
119.05038	9.5
120.05421	0.5
123.04536	0.4
125.02483	0.6
129.01959	13.0
130.02319	0.4
131.03508	0.3
134.03745	0.3
136.58563	0.3
143.03554	0.3
145.02948	1.0
147.03017	12.5
148.03389	0.5
152.28386	0.3
161.04660	0.4
163.04025	12.2
164.04326	0.7
166.05086	0.6
169.50700	0.2
173.00932	3.6
173.02354	0.7
174.03253	1.2
188.04759	0.3
191.01993	82.0
192.02319	2.2
193.05077	0.5
202.02777	0.3
206.02206	0.4
209.03030	0.5
209.11827	0.5
214.02657	0.3
215.03574	0.3
229.05110	0.3
231.06459	0.3
232.05110	0.3
248.18234	0.3
250.06546	0.3
265.05048	0.4
267.06815	0.9
277.05054	0.4
278.05759	0.3
279.06656	0.4
282.09320	0.3
285.03897	0.4
293.06888	0.3
295.06030	0.4
304.07593	0.3
305.04562	0.3
308.06909	0.6
309.07800	0.4
320.06839	0.5
323.05688	0.5
323.09390	0.7
327.12262	0.3
335.09320	0.8
337.05655	5.0
341.10416	0.7
353.10333	4.4
354.10593	0.4
365.69760	0.3
371.11359	0.4
409.12976	0.3
421.12979	0.5
471.13159	0.6
483.12912	0.4
487.32883	0.4
501.14001	2.8
502.14319	0.6
545.13269	0.6
547.19257	0.3
563.14050	3.7
564.14197	0.4
605.35516	0.3
649.38000	3.3
667.39130	1.5
708.38092	0.6
709.37396	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.5
57.03457	15.9
59.01385	5.3
61.98823	1.0
67.01899	0.9
69.41943	2.0
69.42373	3.0
71.01396	3.3
72.99306	1.5
73.02934	0.8
75.00887	1.8
80.70447	0.6
83.01401	4.8
84.02174	2.0
85.02961	100.0
86.03304	2.1
87.00896	2.5
89.02446	0.7
90.83714	0.6
93.03485	1.0
96.96042	3.5
99.00920	1.0
101.02469	1.3
108.02207	0.7
109.03065	0.7
111.00895	8.1
113.02499	0.9
118.28593	0.7
119.05042	41.3
120.05366	2.0
120.25883	0.6
125.02455	0.7
129.01959	42.0
130.02267	1.3
135.04533	1.2
145.02974	3.8
147.01851	1.1
147.03017	19.4
161.02512	0.7
163.04027	75.2
164.04347	3.3
165.04082	0.8
167.03622	0.6
173.00952	13.8
173.02454	0.6
174.01201	0.6
174.03313	3.3
183.08949	0.7
183.74741	0.7
187.03981	0.6
191.02000	45.7
192.02353	0.9
201.11392	1.0
203.79752	0.6
209.11855	2.7
215.03578	0.9
229.05066	1.0
231.06776	0.9
249.05586	0.8
251.07205	0.8
267.06808	1.2
279.06662	1.6
289.05093	1.0
293.06888	1.4
304.07312	0.7
305.04562	1.0
308.07016	1.2
309.07913	1.2
320.06906	0.9
323.09106	0.7
335.09286	1.0
337.05643	11.0
341.10263	1.2
346.15222	0.7
353.10373	8.9
354.10434	0.7
396.52686	0.6
421.12589	1.2
501.14175	8.4
502.14929	1.1
563.14026	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94487	1.5
59.01394	7.3
60.25226	1.6
61.98541	2.7
61.98839	27.2
66.77970	1.5
69.83701	1.2
71.56035	1.5
77.29282	1.7
78.95916	2.1
96.95994	1.9
119.05044	100.0
120.05363	5.1
127.15227	1.5
130.04231	3.3
143.04974	1.6
145.06561	2.6
157.06662	1.8
158.83371	1.6
159.08150	1.8
187.04047	2.2
211.13287	2.7
215.18637	1.4
221.48788	1.4
227.14439	3.6
271.13416	17.8
272.13559	2.8
277.21634	3.9
289.14465	17.6
290.14627	2.8
300.95496	1.7
315.25546	7.9
350.90866	1.4
391.19180	95.6
392.19458	11.0
439.48376	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65133	1.2
59.01376	3.3
59.53255	1.1
61.98835	5.2
71.01392	3.6
71.23813	1.4
71.24150	1.3
73.02947	1.6
78.95932	3.2
81.63910	1.1
84.61397	1.1
85.02975	1.3
89.02462	1.7
101.02492	2.1
108.43646	1.1
124.96225	1.2
152.99606	2.2
183.13959	6.6
193.12323	2.4
206.13943	1.1
211.13412	100.0
212.13770	5.4
225.11203	1.4
235.08224	4.0
253.09343	9.5
277.21750	82.5
278.22064	8.8
279.23245	2.3
371.40466	1.3
447.22324	4.0
453.15427	3.1
471.16592	1.4
707.37573	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	32.8
61.98832	15.3
70.76314	9.6
71.01399	28.8
73.02956	5.7
75.15234	4.1
85.02964	11.2
87.00870	5.2
88.98801	9.9
89.02435	18.7
96.96004	13.4
97.02971	4.8
101.02452	15.3
113.02455	9.5
119.03577	6.0
125.02431	9.7
125.09805	4.9
137.04997	4.2
163.11328	5.2
165.12846	6.3
171.10240	7.6
171.28932	3.9
179.05559	5.9
181.12363	8.1
183.13860	6.9
197.11899	4.8
197.15686	3.9
201.11398	4.2
207.08417	4.3
207.10234	22.2
209.09949	5.3
209.11861	100.0
210.12131	13.5
215.05516	4.2
225.11356	54.5
227.12906	25.4
228.96127	4.3
235.08330	6.5
253.09236	10.1
291.19724	26.2
292.19916	4.9
309.20734	76.2
310.21069	6.9
339.70050	4.8
397.13489	22.5
415.14474	14.4
461.20157	22.9
626.35040	4.4
653.31842	24.8
671.31708	20.7
707.30219	60.5
708.31439	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
57.03456	1.9
57.03783	0.9
58.58897	0.9
59.01387	100.0
60.01700	1.3
61.98844	1.2
69.03436	0.9
69.08999	0.8
71.01389	14.6
72.99319	1.8
73.02963	4.6
83.01405	2.5
85.02959	8.7
86.00096	0.9
87.00873	1.2
88.98811	1.9
89.02457	5.2
95.01395	1.6
95.19541	0.8
96.96032	4.5
97.02938	1.1
99.00901	1.7
101.02470	9.4
111.00862	1.0
112.01668	1.0
113.02475	10.2
119.03492	1.5
124.01662	1.3
125.02433	3.5
136.05363	1.0
143.03551	2.4
151.07654	3.5
161.04581	1.6
185.47005	0.8
283.78931	0.9
283.82120	1.0
355.21341	1.9
499.25543	18.8
500.25790	3.6
517.26563	34.5
518.26892	4.2
535.27637	4.6
551.34430	1.4
559.27557	12.3
560.28381	1.3
577.28479	4.9
578.29755	1.0
603.38037	0.9
645.38525	3.2
663.39905	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	707.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
57.03443	2.9
59.01387	31.5
66.49368	0.6
69.03431	0.7
71.01389	23.1
71.54998	0.8
72.99316	5.6
73.02956	1.7
75.00882	10.3
83.01388	1.6
85.02962	25.6
87.00879	8.9
89.02456	8.9
91.03996	1.1
95.01408	5.0
95.05031	0.8
96.96030	5.2
98.95607	1.0
99.00887	6.2
101.02434	2.5
103.00343	3.0
111.00880	1.5
113.02463	33.2
114.02773	0.7
115.00368	1.3
117.01944	1.3
125.02444	1.6
129.01924	2.3
131.03506	1.4
149.04541	0.6
151.07649	1.8
157.01416	0.7
174.49643	0.9
175.02495	1.5
193.03549	3.7
205.07127	3.4
207.05133	1.7
231.05009	0.8
247.08244	0.9
249.06207	8.3
267.07239	100.0
268.07587	5.8
291.07214	10.2
335.06210	23.5
336.06372	1.7
420.90491	0.8
421.01434	0.6
645.38800	1.5
663.39490	1.7
707.27905	21.0
708.28125	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	707.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.0
57.03450	1.0
58.00613	0.7
59.01389	100.0
60.01717	1.0
61.99787	0.5
69.03451	1.3
69.46909	3.9
69.47240	0.5
71.01393	28.1
72.01752	0.5
72.99316	1.3
73.02960	16.8
74.36198	0.5
75.00877	0.7
79.95779	0.6
83.01405	4.9
85.02967	8.7
87.00890	1.5
89.02459	14.2
95.01421	2.1
96.96035	5.9
97.02953	1.0
99.00898	1.0
99.04533	0.6
101.02459	18.2
101.03118	1.1
102.02804	0.6
107.05000	0.5
113.02473	18.1
114.02841	0.6
119.03535	6.0
125.02468	2.7
131.03531	2.1
131.55165	0.5
143.03500	2.9
149.04604	1.5
155.03493	0.6
161.04588	6.9
172.52373	0.6
179.05626	2.8
203.05692	0.9
221.06615	0.8
226.93260	0.5
267.07248	1.5
355.21484	1.2
388.90454	0.6
499.25623	8.6
500.25858	1.0
517.26556	18.9
518.26947	3.0
535.27679	5.3
536.27740	0.9
551.29633	0.6
559.27582	8.1
560.27972	1.5
577.28802	9.4
578.29218	1.2
619.30231	0.7
644.54572	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55825	0.1
56.70445	0.1
59.01388	0.2
64.86992	0.1
69.18923	0.1
70.07759	0.1
70.12744	0.1
71.01377	0.1
73.92318	0.1
79.95750	3.3
81.23055	0.1
85.02956	0.1
96.96025	100.0
97.95958	0.4
125.02464	0.2
127.40670	0.1
130.90303	0.1
136.07765	0.1
255.03143	0.1
271.02539	0.5
271.48682	0.1
292.55145	0.1
300.02829	1.0
301.03540	0.5
334.50778	0.1
495.20209	0.2
609.14655	1.4
610.15308	0.3
619.84882	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	707.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.1
69.30644	0.7
69.31058	0.2
69.82222	0.1
79.95747	3.4
96.96025	100.0
97.95968	0.4
109.02968	0.1
125.02444	0.8
133.02989	0.3
136.62947	0.1
159.04649	0.1
163.03967	0.1
170.21346	0.1
177.01939	0.3
178.02257	0.1
179.03485	0.1
191.03537	0.1
193.05122	0.1
239.95837	0.1
241.70853	0.1
260.98062	0.1
277.86758	0.1
290.43707	0.1
298.04605	0.2
311.05716	0.1
312.06421	0.3
313.07138	0.3
327.05157	0.2
332.20630	0.1
336.51816	0.1
339.05267	0.3
341.06650	0.2
369.06165	1.4
399.07303	0.9
400.07431	0.2
423.07138	0.1
429.08398	0.2
450.85535	0.1
462.75153	0.1
489.09995	0.6
498.66238	0.1
519.11719	0.2
539.15796	0.2
609.04694	0.2
609.14655	4.7
610.15118	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74512	0.1
59.01369	0.3
65.41439	0.2
70.00462	0.7
75.47804	0.1
76.56740	0.1
79.95745	3.6
85.02957	0.4
96.96023	100.0
97.95965	0.3
125.02467	0.8
126.02871	0.2
133.02982	0.3
137.02502	0.2
155.39639	0.1
177.01921	0.4
178.02466	0.2
191.02016	0.2
193.05038	0.3
289.07156	0.3
298.04843	0.4
298.09744	0.2
303.50711	0.2
305.06824	0.2
306.07074	0.2
312.06400	0.2
313.07236	0.2
327.05487	0.2
339.05023	0.3
341.06693	0.2
361.86282	0.1
369.06168	1.2
381.06128	0.2
399.07147	1.0
411.07208	0.2
429.08420	0.3
453.39935	0.2
469.81714	0.2
489.10623	0.6
519.11639	0.3
609.14618	4.5
610.15155	0.7
660.96387	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44050	0.2
56.73444	0.2
57.03453	0.3
58.56141	0.1
70.15528	0.3
70.15916	0.4
72.69412	0.1
79.95752	3.7
96.96027	100.0
97.95963	0.3
109.02946	0.4
111.04498	0.2
125.02467	3.3
128.67253	0.1
130.58299	0.2
137.02466	1.2
139.04037	0.6
148.32697	0.1
151.04091	0.2
159.04526	0.2
165.01970	0.6
167.03555	0.4
175.04059	0.4
177.01949	2.7
179.03496	0.4
187.03986	0.2
219.06683	0.3
243.02988	0.3
255.03062	1.0
256.03842	0.2
269.04596	0.3
283.02567	0.5
297.04251	0.2
303.05139	0.4
305.06671	2.5
323.25381	0.2
423.07236	3.8
424.07538	0.4
441.08264	2.8
442.09018	0.2
473.66528	0.2
483.09540	0.5
609.12579	1.5
610.12915	0.2
715.80408	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
71.53177	0.3
79.95747	3.8
81.03464	0.3
83.01395	0.3
85.02948	0.6
93.03423	0.3
96.96019	100.0
97.95921	0.4
109.02960	1.3
111.04556	0.4
115.13929	0.2
121.02992	0.3
125.02457	8.9
126.02837	0.3
135.04543	0.3
137.02449	2.3
139.04005	1.1
149.02441	1.0
151.04077	0.5
159.72595	0.2
161.02393	0.3
163.04138	0.4
164.01170	0.3
165.01895	1.1
167.03468	1.3
175.03967	0.6
176.60822	0.2
177.01938	6.5
177.05475	0.3
178.02402	0.4
179.03528	1.0
187.04027	0.3
191.01956	0.4
196.25159	0.3
201.05580	0.3
215.03484	0.3
217.05078	0.2
219.06709	0.8
221.04469	0.3
229.05066	0.3
239.44806	0.2
243.03006	0.6
255.02995	1.5
256.03806	0.5
257.04538	0.3
261.03961	0.3
273.04044	0.4
276.50262	0.2
283.02399	1.1
285.04019	0.3
297.04272	0.5
303.05087	0.8
305.06683	4.9
306.07181	0.5
423.07230	7.1
424.07843	1.2
441.02573	0.4
441.08282	5.5
442.08679	0.6
483.09293	0.9
609.12549	4.2
610.12994	0.9
643.30426	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38728	0.8
57.03455	1.1
59.01388	8.0
61.98836	33.5
63.14094	0.9
69.75862	3.8
71.01389	6.7
73.02953	1.5
80.02676	2.3
81.03466	3.2
83.01346	1.5
83.05048	5.1
84.02177	1.6
85.02930	1.7
87.00906	2.3
89.02461	4.7
95.01389	1.1
95.05034	1.0
98.20654	1.2
101.02457	5.8
113.02441	2.8
119.03482	1.6
125.02419	1.0
141.12567	1.0
143.03595	1.1
145.05145	1.5
161.04581	1.8
163.11295	6.0
165.12880	12.2
171.10242	1.7
181.12297	2.0
183.13913	87.2
184.14276	5.8
191.10774	1.7
199.13300	1.0
207.10384	1.5
209.11841	100.0
210.12164	7.2
225.11240	2.3
227.12912	15.1
235.08220	2.9
253.09274	6.3
264.07150	0.8
265.32504	0.9
307.43121	0.9
338.15234	0.9
445.20850	3.7
463.21942	3.5
499.29333	1.2
655.33167	3.2
656.34296	1.0
673.34430	89.8
674.34814	21.9
705.36908	5.2
714.76660	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.4
70.74130	0.7
71.01389	2.2
74.77920	0.8
81.03437	1.1
83.05037	4.4
85.02944	1.0
87.00858	0.8
89.02450	1.4
101.02459	1.8
110.26429	0.7
113.02451	1.1
121.78280	0.7
127.11430	0.7
152.09354	0.7
163.11288	2.7
165.12868	1.5
171.10271	0.8
209.11842	100.0
210.12177	5.9
227.12927	14.1
235.08263	1.7
253.09320	6.4
259.15524	1.3
472.04459	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.9
59.01381	12.0
61.98819	3.3
68.73732	0.8
69.03443	1.4
69.31498	7.2
71.01391	7.2
71.05018	3.6
73.02938	2.5
75.00857	1.2
79.95724	2.0
83.05019	2.0
85.02948	3.1
87.00874	3.0
89.02438	5.4
95.04984	1.0
96.96021	37.6
97.02944	3.4
97.06586	3.1
98.95585	0.9
99.00286	1.5
99.00896	22.1
101.02451	5.5
109.06612	1.8
113.02451	3.1
119.03483	1.8
123.08170	1.3
125.02394	2.5
125.09737	9.0
127.11292	1.1
136.05273	1.0
150.56219	0.9
161.04536	1.1
163.11316	9.9
171.10265	3.8
179.10713	1.5
181.12347	18.3
182.12701	1.3
197.11842	9.7
199.13441	11.5
201.11385	4.7
207.08385	1.9
207.10268	29.2
208.10603	2.5
209.11836	8.0
225.11328	43.1
226.11633	2.9
227.12830	1.5
243.12376	26.9
244.12744	1.3
253.09317	1.8
267.23462	1.0
273.07220	0.8
317.16196	1.5
332.47537	0.9
461.20099	2.6
479.21484	10.4
543.27460	1.1
661.31366	2.9
667.39221	9.3
668.39343	1.6
669.40332	7.5
670.41370	1.3
687.32318	11.0
688.32660	1.8
705.33429	100.0
706.22040	1.7
706.33636	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	705.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22710	2.8
59.01382	12.9
61.98832	30.0
63.15142	2.8
71.01391	30.4
71.54824	4.0
78.46204	2.6
78.95929	8.7
83.05053	4.7
85.02959	3.4
86.17576	2.6
87.00869	3.4
89.02428	4.0
95.22733	2.7
96.96017	4.7
99.00873	3.5
101.02480	4.1
104.42395	3.5
105.37907	2.9
109.06592	4.6
113.02476	4.0
152.99590	2.9
163.11328	3.4
169.12347	8.2
171.10309	9.8
181.12355	4.3
195.13905	4.6
197.11853	13.4
199.13423	4.4
201.11360	3.3
207.10287	12.0
209.11850	100.0
210.12233	6.9
211.13470	18.8
223.13419	61.0
224.13823	4.2
225.11328	12.5
227.12891	24.7
235.08240	3.9
251.36032	3.1
253.09311	14.2
273.17108	5.3
326.73904	2.9
445.20734	6.7
459.22653	8.0
463.21555	3.8
651.33765	8.8
673.33490	4.7
705.32300	35.3
706.32837	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	704.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.1
61.98837	100.0
65.50416	0.2
71.54250	0.3
71.54626	0.3
78.95934	0.5
79.87704	0.2
113.60521	0.2
115.33311	0.2
129.83492	0.2
156.31152	0.2
199.65096	0.2
209.11909	0.4
255.03096	0.6
277.21854	0.4
283.02377	1.0
311.16983	0.3
337.75211	0.2
421.20129	0.5
484.15643	0.6
556.19171	0.3
558.19330	0.8
644.23083	0.7
704.23743	2.0
705.23560	0.6
727.20099	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02089	0.5
52.10481	0.6
57.03446	2.0
68.61983	0.6
71.54038	1.1
72.99319	8.0
83.01399	0.6
83.71223	0.6
85.02978	0.9
87.00877	1.8
91.05536	2.6
93.03461	0.9
96.96018	7.0
106.04266	1.0
107.05038	6.7
108.02167	1.0
109.02963	2.4
115.05541	0.7
117.03466	1.5
117.71625	0.5
121.02942	2.5
123.00953	0.6
124.01673	0.6
125.02464	19.0
127.00024	0.6
131.05049	1.3
133.02988	1.3
133.06610	4.6
135.04503	2.1
137.02477	4.4
139.04044	1.2
143.57396	0.5
147.04543	1.3
149.02403	1.4
149.06104	26.7
150.06386	1.2
151.04068	1.1
156.50520	0.6
163.00348	0.6
163.04010	4.7
164.01167	1.1
165.01921	2.2
167.03499	4.7
176.01175	1.1
177.01962	12.5
177.05579	15.0
178.02361	0.9
178.05843	1.1
179.03525	20.1
180.03908	0.8
187.04027	0.9
193.05121	0.6
195.06680	1.0
199.03978	1.0
205.01462	1.0
215.07059	1.0
216.99037	0.8
219.06525	1.1
221.04488	1.3
229.05121	0.9
239.05634	100.0
240.05960	6.9
243.03061	1.5
255.03020	1.5
261.03986	1.1
273.04044	1.6
283.02441	1.0
285.04010	2.8
303.05042	3.0
305.06693	9.3
306.06943	0.7
344.04922	0.9
381.09909	1.4
383.11270	0.7
399.10980	0.9
423.07214	2.4
441.08344	0.8
537.14258	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	703.369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02059	0.8
51.83099	0.9
59.01387	15.0
61.98838	7.4
65.98318	0.8
69.51489	6.1
71.01388	13.6
72.99319	1.4
73.02953	5.6
83.01416	2.8
85.02956	7.4
87.00905	1.8
89.02449	6.0
96.96028	7.0
97.03001	1.2
99.00906	2.5
101.02468	10.6
111.00912	1.3
113.02463	5.8
119.03532	1.4
121.02990	1.2
125.02456	2.7
159.02898	1.5
161.04520	0.9
171.10309	1.1
179.05788	1.2
197.11858	1.9
209.11906	2.4
225.11380	3.3
461.20505	1.3
479.21588	1.0
505.33890	4.6
659.37335	1.0
667.39178	100.0
668.39429	17.6
685.30371	1.0
703.37164	31.0
704.37671	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	703.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
63.85116	11.4
64.89635	12.1
69.03175	11.2
69.33470	100.0
76.08443	12.2
83.69027	11.4
83.80687	13.0
89.30523	11.4
126.45750	11.2
133.66382	14.5
171.10307	26.1
277.21973	15.6
365.67145	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	703.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35365	13.2
69.33472	100.0
69.33881	36.5
70.97450	15.6
77.94816	17.3
111.45374	15.9
141.15669	14.0
171.10300	30.3
176.16499	16.9
221.09245	15.4
265.19464	14.1
300.61588	14.6
419.42227	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	703.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	41.0
60.01722	0.8
69.32335	1.2
69.32757	1.9
72.99317	5.0
77.11626	0.3
85.02954	0.4
103.05566	2.0
107.70625	0.4
119.05029	6.1
120.05412	0.5
123.00897	1.1
125.02493	0.5
137.10748	0.4
147.04539	100.0
147.58812	0.4
148.04874	5.1
150.15704	0.3
165.05589	86.4
166.05914	4.5
192.28145	0.4
207.06654	56.6
208.07011	3.7
222.97171	0.3
562.03735	0.4
625.06329	0.5
703.19427	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50854	0.6
55.01880	1.0
57.03458	1.5
59.01120	0.7
59.01385	12.0
61.98843	3.6
66.49545	0.7
69.03452	2.8
71.01394	7.5
71.05021	3.3
73.02943	2.6
79.95717	0.8
80.02713	0.8
80.89584	0.6
83.05028	1.8
85.02954	3.7
87.00866	2.2
88.06249	0.7
89.02448	4.3
95.05042	1.0
96.96039	4.9
97.02964	3.5
97.06581	1.4
99.00899	12.8
101.02438	5.4
102.96045	0.7
109.06579	1.4
113.02440	2.9
119.03514	0.9
123.08139	1.8
123.96042	0.8
124.01615	0.7
125.02425	1.4
125.09753	6.6
127.04002	2.1
135.08136	1.2
139.04025	0.8
142.02763	0.9
151.11243	1.1
153.12854	1.6
161.04556	1.1
161.09711	2.0
163.11301	7.1
171.10287	1.7
179.10747	3.5
181.12361	8.3
182.12556	1.0
192.76126	0.6
197.11850	33.8
198.12132	2.7
199.13437	6.2
207.08374	1.2
207.10278	18.9
208.10616	1.2
209.11827	4.6
225.11349	26.1
226.11646	1.9
227.12918	1.0
241.10783	2.8
243.12427	10.1
244.12698	0.9
253.09300	1.7
461.20215	1.4
477.19757	2.3
479.21390	2.8
541.26624	0.9
659.33228	2.1
667.39178	4.5
685.30688	3.0
703.31775	100.0
704.32135	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	703.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16048	0.4
59.01373	0.7
61.98826	1.3
70.60844	0.4
71.54262	0.7
78.95917	0.7
93.03459	1.3
95.01400	1.1
96.90279	0.4
117.03461	0.8
119.05043	100.0
120.05363	3.7
123.28342	0.4
130.04256	0.9
133.06572	0.5
137.02432	0.8
143.05014	0.5
145.02930	1.0
145.06625	1.2
152.99576	0.8
157.06645	0.8
159.08148	0.8
163.04060	1.0
165.09230	1.5
170.02148	2.3
187.04141	0.5
187.11264	1.0
207.10307	5.5
208.10771	0.6
209.08083	0.5
223.07672	10.0
224.07997	1.0
227.14386	0.7
229.75443	0.5
239.89438	0.4
255.23325	0.4
271.13431	7.5
277.21750	0.6
283.59119	0.5
287.16550	1.5
289.14514	5.3
290.14804	0.7
311.12915	34.2
312.13245	4.0
313.14713	0.4
391.19199	26.0
392.19489	3.4
511.24893	1.4
703.43127	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70745	2.0
59.01380	5.9
60.50600	1.6
61.24974	1.7
61.98831	5.7
71.01389	4.7
71.54138	2.9
71.98160	1.7
74.86303	2.2
81.67960	2.4
96.96011	6.4
98.10639	1.7
98.95570	3.6
110.35886	1.8
113.46391	1.9
119.05031	8.9
126.62152	2.0
171.10207	3.7
183.13878	6.0
209.11774	3.6
211.13409	100.0
212.13745	6.0
220.14748	7.6
221.15471	14.0
236.10516	15.7
253.09268	3.9
293.17563	9.5
355.32538	2.0
407.18732	14.7
408.19022	2.4
417.61584	2.1
421.40781	1.9
447.22238	11.0
448.22699	2.4
623.34033	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	701.4489
Annotation	Kulomo'opunalide-2
Peak:m/z	Relative Intensity
55.81811	1.4
59.01395	5.8
61.98846	1.4
70.03089	1.5
70.03406	6.4
71.01401	5.0
71.26999	1.3
75.06843	1.5
89.02461	3.0
96.96049	2.4
99.92589	12.9
101.02471	3.1
103.68237	1.3
113.02503	2.1
115.92102	14.7
116.92877	53.6
117.92917	2.5
161.04649	2.2
163.72169	1.4
165.12862	6.9
183.13921	52.7
184.14288	3.8
205.33440	1.4
209.11948	3.6
221.08029	1.4
227.13068	3.5
235.08331	2.2
253.09428	4.0
255.23320	100.0
256.23654	7.0
353.14383	4.5
463.22162	2.6
621.38702	2.8
665.37067	6.4
674.45795	1.4
701.45355	76.9
702.45551	15.2
729.18372	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23205	0.7
59.01390	31.4
61.98844	1.3
69.37274	2.8
69.37695	2.4
70.09787	0.6
71.01389	16.1
72.99313	1.1
73.02956	14.0
74.03258	0.8
78.95915	1.0
80.96529	1.9
81.79884	0.8
82.11478	0.8
83.01414	3.4
83.05031	1.6
85.02966	4.5
87.00889	3.2
87.67515	0.6
89.02464	7.6
95.01401	1.3
95.05054	0.6
96.96011	3.2
97.03040	0.7
99.00900	1.1
101.02452	13.8
108.08917	0.7
109.06618	1.8
111.08154	1.0
113.02469	6.1
116.32948	0.7
119.03494	2.7
125.02477	1.8
126.27995	0.6
127.03986	0.8
131.59700	0.7
143.03545	0.8
161.04645	1.1
163.11316	1.0
171.10252	1.2
173.28758	0.9
179.05621	1.0
181.12314	0.9
197.11848	1.0
207.10306	6.5
208.10649	0.7
209.11847	15.1
223.13451	1.8
225.11363	7.3
227.12927	1.9
253.09380	1.7
275.20227	3.8
277.21848	1.2
293.21280	17.6
294.21692	1.5
432.59940	0.7
437.25681	1.8
455.26535	6.4
456.27332	1.1
461.20361	2.1
479.26382	3.6
497.27618	100.0
498.27951	15.3
635.31934	0.8
653.32111	2.2
671.33252	2.7
703.31500	3.0
709.74908	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	1.0
57.03463	5.7
58.00594	0.8
59.01388	13.5
67.01888	1.0
68.99818	1.1
69.03464	1.4
71.01012	1.2
71.01390	17.3
71.55355	0.9
72.99316	6.4
73.02943	1.9
75.00472	1.2
75.00880	17.3
81.03443	0.8
83.01391	1.3
83.05043	0.7
85.02463	1.2
85.02961	18.0
85.80479	0.6
87.00903	5.9
88.10419	0.5
89.02467	4.0
91.04007	0.6
95.01400	4.3
99.00896	9.1
101.02455	1.2
103.00397	1.6
109.03004	0.8
111.08167	1.7
113.02465	15.8
114.02802	0.8
115.00373	2.5
117.01938	2.2
119.03477	0.6
129.01958	1.6
130.18710	0.6
139.11305	30.0
140.11621	0.8
147.04521	1.4
148.04027	1.5
157.01410	1.1
161.74629	0.8
163.44254	0.6
165.01953	1.9
165.05638	1.7
165.09219	2.3
175.02518	1.7
175.04077	0.7
180.04323	0.8
183.10292	18.0
191.01993	0.7
195.06535	0.7
201.11351	31.6
202.11662	0.8
207.06670	0.7
209.08217	9.9
231.05046	1.0
233.08043	0.9
239.11781	0.6
249.06181	6.5
267.07309	2.8
275.15021	2.8
327.05139	1.5
327.09964	0.7
328.05649	0.9
371.13223	0.9
389.18167	2.2
393.30377	0.7
431.09375	0.7
449.09659	1.0
451.18079	1.8
503.17706	5.4
525.21857	8.1
526.22247	1.1
540.16211	0.9
639.25043	1.9
683.23517	2.7
701.25073	100.0
701.38196	4.0
702.25488	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49772	0.8
59.01386	100.0
68.68602	0.7
71.98823	0.8
75.52116	1.0
76.03772	0.8
78.95872	1.2
98.20779	2.1
106.33213	0.8
142.60497	0.9
149.10625	1.0
230.04819	1.3
389.79865	0.9
438.13232	3.0
451.13779	1.1
452.14905	1.0
466.12903	1.2
467.13501	0.9
481.08484	1.6
481.15195	29.4
482.15710	9.2
495.16846	11.9
496.17203	3.2
497.18558	5.9
498.18442	2.4
514.14777	2.6
525.14355	1.1
539.15680	2.9
540.16351	9.4
541.17059	1.5
554.18353	3.6
555.18903	59.6
556.19165	17.2
572.15527	18.8
573.15723	3.1
586.17059	6.9
587.17651	1.4
609.19672	1.6
627.20728	2.0
641.22589	29.5
642.22852	8.9
658.90076	1.0
701.24701	66.9
702.24780	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	701.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49919	0.4
55.72465	0.4
61.87564	0.4
63.02390	1.3
65.00000	0.3
65.00332	8.7
68.99809	1.0
69.34716	3.1
72.29130	0.4
75.52104	0.3
81.03476	0.4
81.40617	0.4
83.01395	1.6
84.35150	0.5
91.01918	1.0
93.03467	3.0
96.96013	0.6
98.20648	0.8
105.07101	0.5
109.06603	2.3
113.05589	0.4
113.91644	0.5
115.30152	0.4
119.05044	43.6
120.05369	2.1
131.08656	1.0
133.06615	20.4
134.06993	0.5
135.00932	0.8
137.02448	0.7
142.19008	0.4
143.05060	1.1
145.02968	1.2
147.08176	0.8
149.06119	1.0
149.99629	1.0
151.00337	0.7
151.07674	4.8
153.01915	0.6
161.02432	0.5
161.06046	0.7
171.04539	0.9
171.10255	2.1
172.10591	0.6
175.07655	6.9
176.01216	3.2
176.07922	0.5
177.01891	0.9
185.06071	0.8
187.04031	2.4
187.11275	1.6
191.07188	0.8
193.08727	0.7
209.11816	0.9
211.11438	0.4
211.13367	0.7
219.06639	62.0
220.06984	3.8
225.05405	0.5
233.08209	2.3
241.05066	0.7
245.08284	1.0
253.12396	0.8
269.04550	1.4
270.05405	1.1
273.17133	0.8
295.13422	2.7
323.12839	2.5
324.13235	0.6
339.12381	100.0
339.89951	0.4
340.12729	10.7
361.10599	27.0
362.10837	2.9
608.21649	0.5
701.23322	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31882	0.5
57.03439	1.4
59.01371	2.1
71.01390	1.6
71.54749	0.5
75.00918	0.9
76.83363	0.5
80.02692	0.6
85.02968	7.0
93.03452	1.3
96.96027	0.6
99.00888	0.5
101.02451	0.5
105.03505	0.5
108.02187	31.9
109.02515	1.0
113.02480	0.6
119.05067	0.6
121.02970	2.7
122.03757	3.2
123.00916	0.6
123.04539	16.8
125.02476	0.6
129.01878	0.7
132.02199	1.7
133.02956	2.2
134.03763	6.1
135.04483	1.2
137.02449	1.7
141.40596	0.5
147.03061	0.6
147.04532	0.5
149.02432	5.2
149.06076	1.9
150.03250	22.5
151.00398	0.8
151.04065	3.5
152.01167	61.4
153.01550	1.8
160.01659	10.6
161.02444	1.6
164.04765	0.9
165.01917	1.4
165.05583	14.9
166.02754	3.1
166.05846	0.6
167.03511	100.0
168.03833	4.6
175.04005	16.0
176.04335	1.1
178.02737	1.5
180.04300	2.0
181.05099	5.6
191.02017	4.5
193.05101	7.7
195.06660	6.5
196.06859	0.6
209.08212	2.3
225.07788	0.7
311.07785	6.8
322.07062	1.3
323.07834	1.0
327.08820	0.8
337.09311	26.1
338.09552	2.6
341.10294	2.8
371.11472	1.4
471.13028	0.6
473.97519	0.6
501.15076	0.7
504.12646	0.9
505.13672	12.3
506.13797	1.9
507.28217	0.6
519.15186	0.6
520.43646	0.6
533.16516	0.7
539.19568	1.7
653.19250	0.7
701.21649	7.0
702.22693	1.6
713.09998	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91321	1.4
54.15688	1.2
57.03451	3.3
58.00604	1.9
59.01389	27.5
61.98820	1.3
66.93027	1.3
68.99821	1.6
69.72303	8.1
71.01009	2.8
71.01385	28.3
72.99315	7.8
73.02972	1.8
75.00881	11.9
81.03460	1.2
82.44461	1.3
83.01396	3.7
85.02970	24.9
87.00880	5.3
88.98810	4.7
89.02459	17.8
95.01398	5.1
96.96018	4.0
98.19944	1.9
99.00885	7.6
101.02441	8.8
103.00388	2.1
108.02168	3.7
113.02478	16.8
119.03504	5.8
119.04970	2.0
125.02467	3.2
129.01967	2.5
137.02399	1.6
143.03505	1.6
152.01149	3.4
153.01924	2.4
154.91638	1.2
162.67807	1.2
179.05734	3.3
191.02034	2.5
191.56323	1.5
227.32907	1.5
249.03763	1.3
249.06044	6.6
267.06775	3.4
281.08255	4.7
282.09152	2.1
285.04016	2.9
287.22299	14.7
314.07788	2.2
431.26672	2.7
449.27454	14.8
450.28006	2.5
489.19205	13.4
490.19547	1.9
511.02664	1.6
519.20276	2.9
681.16919	1.8
699.34528	100.0
700.34875	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36819	0.4
55.01876	1.1
57.03456	3.1
57.03702	0.6
58.00588	0.7
59.01388	33.2
60.01737	0.4
67.01893	0.9
68.99827	1.5
69.03458	0.9
71.01391	18.8
71.54181	0.6
72.98937	0.6
72.99318	4.8
73.02950	2.4
75.00883	12.6
79.20412	0.4
83.01405	2.8
85.02963	18.6
87.00889	5.7
89.02462	5.4
90.02808	0.4
95.01400	4.1
95.05009	0.4
96.96022	3.3
97.02971	0.7
99.00900	7.7
99.08154	0.5
101.02461	5.9
103.00381	1.5
109.02990	0.7
111.00890	1.4
113.02472	14.1
115.00352	1.1
117.01952	1.6
119.03541	0.8
119.05051	2.1
124.01676	0.4
125.02460	0.9
129.01958	1.7
131.03514	0.4
136.47475	0.4
137.02553	0.5
139.00362	0.6
143.03546	0.5
150.03270	0.5
152.01167	0.5
157.01390	0.9
160.05119	0.4
161.04582	0.4
163.04027	2.1
167.03529	0.4
175.02498	2.0
179.05576	0.5
191.02000	1.4
205.36629	0.5
221.19087	0.9
224.14131	0.4
231.05026	0.6
236.10669	0.4
249.06171	4.3
263.15002	2.3
267.07117	1.3
269.21298	1.9
283.19183	0.6
285.20724	0.6
287.22318	17.5
288.22650	2.5
301.20282	1.7
305.16095	0.6
328.74948	0.5
431.26312	2.6
444.15448	0.5
449.27594	17.4
450.27988	2.8
460.01788	0.5
489.19293	2.3
519.20239	0.5
551.27173	1.6
553.24878	0.5
566.98126	0.4
653.75336	0.4
669.25677	1.1
681.33734	0.9
699.34521	100.0
700.34875	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	699.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.9
57.03442	2.9
58.00603	2.0
59.01386	65.5
67.01910	1.1
69.03490	1.2
69.41386	6.0
71.01391	58.0
72.01762	0.8
72.99318	8.1
73.02954	2.7
73.11528	0.9
75.00883	14.1
83.01400	3.7
83.05087	0.8
85.02958	26.0
86.03323	0.9
87.00881	7.7
89.02457	57.7
95.01402	6.2
97.02950	1.1
99.00889	8.7
101.02449	22.4
103.00414	1.1
107.88566	1.0
111.00889	1.1
113.02467	28.4
115.00378	1.3
117.01944	2.1
119.03514	21.8
119.04976	2.0
124.01740	1.3
125.02477	1.3
126.02610	0.9
129.01984	2.5
131.03505	2.9
131.19495	0.8
135.07468	0.9
138.82681	0.9
143.03494	3.2
146.03746	1.5
147.03200	0.9
147.04536	3.6
149.04575	2.3
150.03224	1.3
158.03719	1.8
159.04506	3.1
160.05301	3.6
161.04704	1.6
161.06071	4.1
163.04033	2.8
164.04778	1.6
173.06152	1.9
175.02501	2.1
175.07645	3.2
177.05569	2.7
178.06416	1.1
179.05638	7.5
185.72205	0.8
191.01987	2.5
198.64284	1.0
221.19160	4.1
238.06335	3.8
239.07201	1.9
249.06198	5.3
250.06442	1.0
259.14935	1.0
265.05200	1.0
265.08676	2.1
265.18027	1.7
266.05936	8.5
267.06638	11.6
268.06967	1.3
269.21103	1.4
281.08224	16.5
282.08923	6.0
283.19189	2.4
287.22345	17.7
296.07153	0.9
296.10419	1.0
298.04877	1.1
301.20163	4.9
314.08118	3.5
328.09500	1.8
429.13498	3.0
431.26587	3.3
444.15649	5.9
449.27652	20.2
459.18488	2.1
474.16940	3.1
489.19275	54.7
490.19623	8.4
519.20355	10.2
520.20856	1.4
551.27142	8.9
552.27222	2.1
681.32758	1.7
699.34467	100.0
700.35052	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	699.157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90877	1.1
54.52228	1.0
55.64112	1.0
56.95761	1.0
59.01386	26.3
70.22450	0.9
71.01372	3.5
72.99302	3.9
73.02945	1.6
75.00887	1.3
81.73669	1.0
85.02949	2.6
89.02414	1.1
101.02444	1.9
106.40114	1.1
113.02469	1.8
119.05057	5.1
133.02977	1.9
147.04538	66.7
148.04854	4.3
149.02419	1.7
151.00372	3.4
153.01840	1.2
158.28900	1.0
164.04787	3.0
165.05585	57.3
166.05870	2.1
166.41905	1.0
174.04996	1.0
175.03902	1.5
179.03491	2.1
179.07103	4.6
193.05026	1.1
195.06602	2.2
199.04047	1.4
207.06653	36.3
208.06996	2.6
224.06952	1.8
229.38643	1.4
233.89482	1.1
245.00911	2.0
249.06255	1.2
256.03787	1.8
257.01852	1.3
278.97763	1.1
284.03284	41.1
285.04068	90.4
286.01340	1.9
286.04355	7.8
297.03833	1.4
300.99664	2.1
316.02316	1.9
317.10880	1.4
327.05112	4.0
345.02460	2.4
359.04080	3.0
360.04822	2.8
375.07144	3.0
406.72870	1.3
447.09357	100.0
448.09769	10.6
551.79126	1.2
567.26697	5.6
649.24969	1.4
699.17975	4.6
699.29590	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	699.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63345	0.7
52.71742	0.8
59.01382	1.8
61.98822	2.6
65.00337	2.1
68.99821	2.4
71.01383	0.9
78.95891	1.1
83.52825	0.9
85.02977	1.7
93.03471	3.3
95.01418	0.7
96.96023	2.6
98.19866	1.9
103.01910	0.9
107.01426	1.0
110.00090	1.1
111.08160	0.8
117.03455	3.2
119.05044	50.8
119.50581	0.7
120.05377	2.3
121.02954	1.9
125.02413	1.3
131.01402	4.0
139.04068	1.4
143.05051	6.7
145.02957	7.6
148.01718	1.2
149.02472	9.6
151.00409	4.1
159.04556	1.7
161.02449	2.2
161.06102	1.4
164.98314	1.3
165.99059	2.0
167.03561	1.3
171.04520	3.7
171.10294	18.3
175.00374	16.3
177.01971	1.3
181.61661	1.1
185.06088	2.5
187.00383	1.4
187.04028	8.5
189.01967	2.3
189.05553	1.1
193.01447	1.8
197.11839	2.4
199.04059	1.0
201.01816	1.4
213.02013	1.0
214.02725	1.3
215.03543	15.3
217.01424	1.8
227.03488	1.7
227.07152	1.3
228.04405	0.9
229.01456	1.9
229.05167	4.0
230.02254	4.0
231.02986	10.8
233.04593	8.8
235.08319	1.0
237.05542	1.2
241.01466	3.1
242.02148	1.7
243.02962	4.7
245.00838	1.3
251.05492	1.0
253.09276	3.0
255.02913	0.9
257.04645	1.0
258.01691	4.2
259.02502	7.4
269.00958	1.3
269.04587	0.9
270.01584	1.3
271.02621	2.3
271.06100	3.1
272.03415	1.5
273.04068	4.5
277.05322	1.0
281.04575	2.0
283.02646	1.0
283.06094	0.9
285.04172	1.5
286.01245	2.1
287.02008	51.7
288.02417	3.2
291.19675	3.0
295.06143	42.0
296.06488	4.8
299.01932	3.2
300.49472	0.9
301.03552	4.7
302.04382	4.3
309.04114	2.5
309.20718	5.3
312.02820	4.4
313.00229	0.9
315.01520	16.8
315.05130	1.4
316.01910	1.3
317.03079	1.1
330.03830	38.9
331.04230	3.5
334.03339	2.2
335.09174	3.9
337.03418	2.7
340.02222	1.1
345.06192	100.0
346.06577	8.0
351.05054	1.5
352.05972	7.2
353.10321	80.7
354.10696	8.1
355.04575	1.7
361.07632	1.0
367.08267	1.8
368.05255	1.3
379.04291	1.5
393.06308	1.7
394.07077	1.1
396.04684	1.8
397.05316	1.1
409.09290	1.4
411.07321	2.7
418.06705	1.7
423.03613	0.9
427.10220	1.4
436.07962	1.9
438.06070	2.8
451.10266	1.3
453.08350	4.1
480.06476	1.0
495.09415	22.0
496.09656	2.5
535.12531	1.7
553.13513	2.2
641.13031	36.7
642.13422	6.9
681.16022	4.2
699.17249	39.1
700.17517	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	699.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25495	1.1
57.03447	2.3
59.01382	1.7
71.01423	1.1
71.53693	1.4
72.66769	1.0
74.67825	1.0
85.02950	1.5
88.98799	1.5
89.10139	0.9
90.02870	1.0
91.05572	1.2
95.01311	1.2
109.02951	3.4
115.78777	0.9
123.04541	1.8
125.02456	9.0
133.02998	6.5
135.04541	1.5
137.02461	1.9
139.04004	1.1
141.00986	1.0
149.02420	1.3
151.04008	1.7
153.01955	1.0
161.02443	1.5
163.04103	1.0
165.01976	1.1
167.03534	5.8
175.03992	1.8
177.01938	7.4
203.03490	1.6
217.05084	1.2
221.04453	1.4
243.02917	2.0
255.02849	1.2
261.04056	1.6
289.06982	1.2
297.04062	2.0
298.04852	5.0
299.05569	2.8
311.05664	4.3
312.06287	4.7
313.07114	5.1
323.05560	1.2
327.05054	3.4
330.40231	1.2
331.85562	0.9
339.05164	8.9
341.06570	4.1
353.06610	1.3
369.06186	34.7
370.06351	4.1
381.06036	4.3
387.16507	1.5
399.07245	24.4
400.07355	3.2
411.07220	2.7
429.08408	4.0
430.08594	1.0
441.08115	2.4
471.09323	2.1
489.10440	16.0
490.10825	1.8
519.11316	4.2
609.14655	100.0
610.15131	16.9
699.23218	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20377	0.8
55.50312	0.8
59.01384	13.5
65.00333	0.8
69.81960	3.0
72.99313	2.1
79.19405	0.7
83.01350	0.8
109.02956	2.6
119.05038	2.4
121.02978	1.1
125.02456	1.8
133.02957	11.9
135.04533	1.8
147.04541	31.7
148.04849	1.7
149.02489	1.7
151.00336	0.9
161.02415	1.0
163.00424	2.2
163.04027	3.4
165.01947	2.1
165.05598	24.9
166.05913	1.1
175.04044	3.5
177.02005	1.0
193.01515	0.9
199.04033	1.1
201.02014	0.8
207.06653	17.4
208.07014	0.9
211.03932	0.9
255.03024	1.5
255.06688	1.0
269.04446	1.2
271.02643	1.4
284.03210	8.7
285.04050	7.7
297.04068	15.9
298.04752	8.5
299.05576	19.0
300.02756	3.7
301.03638	1.1
302.42694	0.8
311.05771	2.1
325.03607	1.2
327.05112	100.0
328.05417	8.3
339.05017	3.4
341.06503	1.0
357.06168	25.5
358.06494	2.8
369.06213	2.9
447.09351	88.6
448.09634	11.2
609.14502	4.3
610.14819	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	40.7
61.98832	17.8
71.01389	10.9
85.02960	7.4
85.05056	3.3
89.02461	5.5
93.03452	3.7
96.96022	11.1
98.20674	7.2
101.02447	10.0
113.02466	6.8
119.03504	3.5
125.02496	5.8
125.09699	10.7
171.10289	10.2
187.14932	7.3
209.11795	16.9
211.13536	3.5
213.12883	4.5
231.13875	13.7
235.08212	5.0
307.19244	5.0
373.23883	4.4
383.22473	11.1
401.23380	12.7
503.34042	5.8
619.31329	100.0
620.31689	20.4
637.32050	14.0
697.41199	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	697.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03447	2.3
59.01391	10.9
67.01890	1.2
68.99825	1.8
69.03471	0.9
69.37852	4.3
71.01014	1.1
71.01391	15.5
72.99325	5.3
73.02954	1.8
75.00887	14.2
83.01410	1.5
83.05049	0.7
83.55767	0.6
85.02963	16.0
87.00885	6.5
88.45566	0.6
89.02440	3.3
95.01386	4.9
99.00893	10.3
103.00350	1.2
106.27189	0.6
111.04552	0.7
111.86395	0.6
113.02466	15.5
115.00402	2.5
117.01939	2.1
129.01939	0.9
135.08160	2.6
153.09236	23.0
175.02483	1.9
179.07204	0.9
184.94495	0.6
189.04045	0.8
197.08202	1.7
200.03104	0.6
204.23984	0.7
218.32114	0.6
231.05147	1.7
249.06168	11.7
250.51712	0.7
252.71529	0.7
267.07187	5.5
271.11847	0.8
316.84570	0.8
361.16507	0.8
385.15387	1.0
447.15109	1.9
521.18903	6.5
635.22235	0.8
649.64130	0.7
679.21069	2.1
697.22021	100.0
698.22302	17.1
727.04120	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.0
59.01387	4.9
62.16092	0.6
69.42697	2.6
69.43127	1.9
71.01391	5.1
72.99320	1.1
75.00884	2.4
85.02971	6.7
87.00871	0.8
89.02460	1.5
93.03464	3.0
95.01394	1.1
96.96039	1.8
99.00904	1.2
101.02477	2.3
103.00399	0.7
105.03480	0.6
108.02212	2.7
113.02483	2.6
117.03467	2.4
119.05043	100.0
120.05405	4.0
121.02969	4.5
122.03762	2.5
123.04536	3.7
124.64474	0.6
125.02438	0.8
130.92003	0.6
132.02199	4.4
133.02966	10.4
134.03755	11.8
135.04585	3.1
137.02448	1.2
145.02968	4.5
149.02477	6.3
149.06107	2.7
150.03249	20.1
151.04018	2.8
152.01109	3.3
160.01694	14.4
161.02463	22.4
162.03110	1.0
163.04031	54.0
164.04372	2.9
165.05595	14.7
166.05914	0.8
167.02139	0.8
167.03506	5.9
175.04024	17.3
177.01990	4.3
177.05588	20.9
178.02791	3.7
178.05902	1.3
179.03453	4.1
179.07143	1.7
180.04291	1.1
181.05135	1.7
181.25955	0.6
191.01979	2.3
191.03510	0.7
193.05067	8.3
195.06596	4.5
203.03618	0.8
205.05139	0.8
212.13597	0.6
249.06099	0.7
267.07251	1.9
282.08905	0.9
285.20850	0.7
307.08304	6.3
309.07843	1.1
322.07095	2.7
323.07739	23.1
324.08109	1.2
337.09366	13.0
339.08762	1.9
341.10361	1.9
355.24976	1.2
373.26117	1.4
377.08810	1.3
389.12369	0.7
447.26038	1.7
471.13187	1.2
499.12698	0.7
500.13312	9.3
501.14072	37.4
502.14462	3.8
515.15747	1.6
517.30353	1.0
535.31305	10.2
555.15533	2.1
649.19153	1.3
679.20660	1.0
696.35535	1.1
697.21594	5.0
697.33624	9.2
698.21759	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.8
57.03455	11.3
59.01381	6.1
71.01389	5.3
71.52645	2.7
81.61897	2.1
84.02176	3.6
85.02959	100.0
86.03303	3.4
97.97248	3.0
129.01941	3.9
135.26012	2.4
147.03008	13.1
157.29396	2.7
191.02008	47.0
192.02211	2.2
209.03050	31.2
236.20393	2.8
355.06754	25.6
356.07001	3.7
404.68436	2.8
628.48419	2.9
638.53351	2.8
652.84119	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	697.184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	15.7
59.01386	7.0
62.00149	2.7
85.02464	5.8
85.02962	100.0
98.20679	7.3
117.30258	3.0
119.05027	3.4
121.19183	3.0
127.08048	2.6
129.01971	7.6
147.02986	15.4
163.04080	5.9
187.94279	2.5
191.01985	48.5
191.42819	2.8
209.03052	37.4
326.05112	2.7
337.05908	3.3
355.06665	25.5
382.51788	2.6
384.79169	2.6
484.45273	3.2
598.40912	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	697.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17731	0.4
54.39167	0.4
55.73224	0.5
59.01386	100.0
60.01708	1.2
61.98835	0.8
63.13488	0.4
71.01392	0.5
71.54670	0.6
77.88219	0.4
87.79679	0.4
98.11916	0.4
101.97973	0.4
121.02953	2.4
164.33403	0.4
171.10269	4.0
191.03577	0.9
209.04648	1.3
209.12009	0.5
211.13438	0.5
269.31946	0.6
289.18231	1.3
307.19281	1.2
569.38031	0.5
593.13007	0.9
617.65265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
61.98837	100.0
65.00355	0.5
69.24648	3.1
81.03473	2.0
83.01409	0.4
85.02965	0.5
94.57651	0.3
96.96043	0.8
99.08176	0.4
99.45823	0.3
123.08171	1.0
125.02458	4.1
125.06084	2.3
130.99532	0.3
136.05243	0.4
141.09294	0.3
149.02467	0.3
151.00385	0.4
163.65846	0.3
165.09227	12.1
166.09550	0.6
191.07153	1.0
209.08211	63.0
210.08569	3.9
213.15993	0.3
233.08238	0.5
251.09372	0.5
274.79245	0.3
277.14856	0.3
279.12213	0.4
279.46893	0.3
423.16797	0.4
479.34805	0.3
492.03494	0.3
583.50500	0.3
592.27948	0.4
633.25574	27.0
634.25867	5.2
696.37354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45667	0.5
52.10831	0.5
59.01385	100.0
60.01720	1.0
61.98829	1.0
69.81410	1.3
69.81821	1.4
78.95911	11.9
91.31592	0.5
129.78253	0.5
168.58635	0.6
173.44609	0.6
205.15973	1.0
219.68361	0.5
435.12857	0.5
447.13483	0.8
550.09875	0.5
604.50647	0.5
653.30359	0.8
695.31201	47.0
696.31409	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	695.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18488	3.0
59.01356	4.1
69.93575	16.0
72.51709	3.6
78.95930	4.8
81.95921	3.2
83.05035	4.5
97.79477	3.4
98.20597	6.0
109.06557	5.1
121.10280	4.8
123.08187	8.6
132.05807	8.6
133.06549	9.0
151.07605	5.5
164.04796	4.0
175.07556	4.0
178.11011	3.9
179.05721	3.2
187.11267	28.7
203.14380	10.9
219.06648	34.8
243.17525	11.8
287.16565	100.0
288.16959	5.5
407.18674	73.9
408.18967	6.9
455.93930	4.5
664.35754	4.2
716.76648	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	695.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27449	1.5
55.13010	1.4
55.35911	1.7
59.01388	12.3
61.98830	2.1
63.40784	1.4
71.01376	4.6
72.99301	1.8
82.02989	2.0
85.02953	6.4
87.00906	2.4
94.02990	24.6
96.96030	3.4
98.20650	4.9
101.02476	2.2
108.04560	3.2
110.06129	6.1
113.02477	2.8
119.05035	1.8
120.08189	2.1
121.02974	2.0
122.06124	13.3
124.04050	3.6
125.02492	2.0
135.04587	1.9
136.04012	5.0
138.05623	7.3
144.04500	2.3
150.05646	4.8
161.04839	3.1
162.05646	2.6
168.06625	1.9
174.05591	5.7
180.06764	1.8
188.07217	2.4
201.10368	11.7
213.10295	5.5
215.11868	3.8
222.65207	1.5
227.11874	4.3
229.07811	2.0
229.09795	11.6
229.13548	3.8
237.10440	3.5
239.11919	12.9
241.09924	2.8
249.06351	1.6
249.10367	2.6
251.08182	1.6
251.11865	3.0
255.11386	5.3
257.12936	5.2
259.10825	2.3
261.10275	2.4
263.08084	3.7
263.11951	3.1
264.09052	6.6
265.09769	6.4
267.11356	4.9
271.10764	1.8
272.10547	1.9
273.12393	5.5
277.09729	3.8
278.10464	3.1
279.07239	2.3
279.11346	13.0
280.12054	3.6
281.09140	1.9
281.13004	2.8
283.10971	4.8
289.12018	4.8
291.11398	8.7
292.05630	1.9
292.08478	12.1
292.11539	2.8
293.09210	6.0
301.11893	24.9
305.09256	2.6
306.10211	4.1
307.10895	30.6
308.11484	10.2
309.12354	3.5
311.10452	2.3
319.13022	57.7
320.13190	4.7
325.11942	2.0
327.13483	2.8
340.10626	2.6
343.13202	3.3
344.14102	2.3
350.09183	9.8
351.09860	32.1
352.10266	4.0
353.10483	3.0
365.11316	3.7
372.13300	4.4
386.15070	7.0
387.15912	3.1
388.16589	3.2
400.16864	1.9
402.18570	2.2
404.16199	5.3
405.16678	4.5
406.17645	2.6
414.14526	4.0
418.17929	2.2
428.16327	2.6
429.16794	2.7
430.17590	4.1
432.15427	4.3
437.15714	2.8
446.17087	3.7
447.17749	5.5
448.18631	3.5
462.20016	2.9
474.16858	3.0
480.21637	2.9
491.16684	5.2
492.17731	8.9
504.15439	1.7
506.19324	21.9
507.19839	4.4
519.25653	1.7
527.22894	10.5
533.12750	2.2
538.21985	56.6
539.22205	10.2
545.24042	12.7
551.22614	3.5
569.24054	10.5
570.24481	3.5
571.21875	4.9
587.25128	42.2
588.25452	9.6
603.24750	11.4
604.24719	2.9
613.23022	9.7
619.27734	4.5
631.24109	55.2
632.24664	8.3
635.27264	5.0
645.25824	15.0
646.26453	2.5
663.26776	100.0
664.27136	23.7
677.28558	4.9
695.29126	25.1
696.29187	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	695.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52423	0.5
57.03447	2.4
58.94788	0.5
59.01375	1.4
71.54356	0.5
81.03451	3.1
83.01411	3.0
85.02965	2.4
93.03460	1.7
95.05038	2.3
96.96011	2.2
97.02960	5.7
98.95622	0.7
99.00951	0.7
99.04464	0.8
108.02187	0.7
109.02968	22.2
113.02428	0.7
119.05019	2.6
120.05370	0.7
121.02974	3.4
122.03751	1.5
123.04541	14.9
124.04830	1.0
125.02460	14.5
133.02972	1.2
135.04527	2.6
137.02451	9.2
139.04004	2.0
145.02943	1.3
146.03697	1.6
147.04576	0.8
149.02437	4.0
150.03221	1.0
151.04036	7.9
157.06615	0.9
159.04530	2.0
160.05307	1.2
161.02492	1.2
161.06122	4.9
162.03268	1.4
163.04059	3.8
164.01219	3.4
164.04388	1.2
165.01930	3.5
165.04500	0.8
167.03481	1.6
173.06067	0.7
175.02580	1.1
175.04019	2.2
175.07614	2.0
177.05664	0.9
179.02008	0.8
179.03525	6.2
185.06184	0.6
187.04028	4.6
188.04810	3.2
191.01953	1.4
191.03531	0.8
199.07721	0.7
201.05586	0.6
201.09322	0.7
202.06322	1.9
203.03423	0.7
203.07156	11.9
205.05072	7.4
209.03088	1.1
221.08191	2.9
227.07109	1.9
230.05872	0.7
245.08208	15.8
246.08501	1.5
267.07257	0.7
271.06110	0.9
289.07214	100.0
290.07599	8.3
335.12546	0.6
346.19556	0.6
352.16534	0.6
369.06253	2.0
399.07153	1.4
405.17944	0.8
489.10480	1.4
531.11578	0.8
651.15796	2.6
683.13281	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17086	0.7
55.59475	0.8
56.12466	0.8
57.79273	0.8
58.00601	1.0
59.01386	100.0
69.03448	1.0
69.54259	5.4
71.01015	1.6
71.01392	24.6
72.99345	0.9
73.02559	1.6
73.02956	24.8
75.00888	0.9
83.01398	6.6
85.02965	4.4
87.00877	1.1
87.84904	0.8
89.02466	10.3
94.03017	0.9
95.01362	0.8
96.96017	3.3
98.19930	1.8
101.02461	29.6
102.02785	0.9
113.02464	10.1
119.03508	4.5
125.02449	0.9
131.03529	2.5
143.03477	3.8
149.04568	5.5
155.03444	1.2
161.04585	9.7
179.05548	1.3
185.31662	0.9
191.01910	1.1
203.05544	1.6
221.06662	3.7
221.62933	0.8
245.93068	0.9
247.08798	0.8
303.14603	0.9
319.13031	1.7
387.09631	1.0
538.22034	0.9
603.24072	1.0
617.22046	0.9
631.24292	0.9
644.12805	0.9
663.26349	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	695.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17689	2.5
56.06772	2.1
57.73223	2.1
63.86535	2.2
69.70865	7.0
69.71278	6.1
71.01398	3.6
85.02954	8.1
96.96033	3.3
98.20667	2.6
101.22343	2.8
109.02961	7.2
113.02459	2.6
117.03466	6.1
126.75600	2.5
133.02963	24.0
135.04512	6.1
149.02415	4.7
149.06119	2.7
151.04019	3.1
161.02501	5.7
163.04066	3.8
175.04066	6.5
177.01913	6.8
177.05600	5.7
179.03494	3.5
187.03963	3.4
189.02032	3.7
189.05576	3.7
191.01910	2.5
191.03491	4.2
197.55418	2.7
201.01907	3.1
203.03535	5.6
205.04926	2.8
217.05038	2.7
225.05769	2.3
245.04541	3.4
267.06805	2.6
282.05441	3.9
283.06094	5.6
295.06174	4.7
296.06870	3.8
297.04352	4.1
297.07739	17.8
298.04865	16.8
299.05563	6.3
305.06781	2.9
311.05597	16.4
312.06363	16.7
313.07242	18.8
321.03989	2.5
323.05597	8.7
324.05984	2.6
325.07196	10.2
327.05170	9.5
328.05719	5.9
339.05176	23.2
340.35150	2.4
341.06723	9.6
351.05313	5.5
353.06665	40.3
353.10641	4.7
354.06940	3.7
365.06677	6.6
369.06186	100.0
370.06573	6.7
371.07486	4.0
381.06329	9.8
383.07739	27.8
384.08450	2.4
395.07925	3.5
399.07211	55.6
400.07645	6.7
411.07040	7.1
413.09067	4.7
425.09378	4.2
429.08319	10.6
441.08301	2.8
443.09885	16.6
453.08075	4.9
471.09045	4.1
489.10571	21.6
490.10214	3.4
501.11081	3.4
519.11450	5.8
531.11438	49.8
532.11755	7.4
541.07019	2.5
561.12549	13.5
591.13782	4.6
605.15338	4.7
609.14716	69.2
610.15112	12.6
633.14923	4.3
645.01227	2.6
651.15717	96.8
652.16064	13.8
695.18457	77.0
696.18445	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28402	1.3
53.51331	1.9
57.03455	10.2
59.01381	6.9
71.01394	6.8
72.99311	2.9
74.20419	1.4
84.02185	3.5
85.02959	100.0
86.03268	2.5
96.96001	6.6
103.00418	1.7
116.92819	4.0
119.05064	2.5
125.02496	3.0
129.01959	4.5
133.01480	2.0
133.02945	2.1
137.02502	4.0
141.02583	1.5
147.03012	9.8
163.04051	3.4
177.01924	6.6
179.03476	2.0
191.01990	41.1
201.33067	1.7
209.01036	3.4
209.03041	64.5
257.65500	1.6
289.07248	2.5
355.06689	12.1
651.16333	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	694.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.4
59.01387	26.6
61.98837	66.0
69.24293	18.4
69.24699	5.5
71.01398	17.7
73.02938	5.9
83.01406	2.3
85.02953	11.5
87.00901	4.8
89.02450	9.7
90.41141	2.9
94.06605	2.5
96.95998	14.0
98.19933	5.7
101.02439	7.9
101.40693	2.4
109.18560	2.6
110.06091	5.1
113.02465	7.8
119.03524	3.7
120.08208	25.2
122.06125	41.6
143.03535	2.3
144.04530	3.7
160.04071	2.6
161.04527	4.6
174.05470	3.2
191.02054	3.0
201.11330	4.5
203.05887	4.5
209.11842	5.5
237.10324	4.2
240.72380	2.6
249.10600	2.7
251.11928	14.2
254.35342	2.6
255.11003	2.6
263.08304	4.2
264.09091	3.6
265.13635	3.8
276.09061	3.2
277.09894	21.1
278.10425	7.2
281.09235	2.5
291.11423	22.5
292.09238	2.8
292.12204	28.2
293.12930	22.4
324.10977	6.0
335.10303	8.9
336.11066	9.6
337.11752	7.0
344.13376	2.8
370.19360	2.9
372.17105	10.1
374.18600	3.3
388.16916	2.6
390.17911	3.1
400.16873	4.1
414.18210	7.3
415.18845	4.8
418.17740	2.7
432.19052	8.8
458.16937	2.8
462.69696	2.8
476.18436	13.3
477.18759	6.6
478.19519	4.2
489.26849	9.2
490.19748	5.8
496.63599	3.1
508.20914	57.0
508.27612	2.0
509.21262	8.2
514.72168	2.8
537.25256	9.6
555.25983	8.7
581.23999	8.8
599.25183	64.9
600.25281	16.1
613.26410	10.7
614.26556	2.7
631.27759	100.0
632.28284	18.1
694.38092	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	693.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33638	0.2
54.53876	0.2
56.45809	0.3
57.03450	0.4
59.01386	0.6
69.62790	1.8
71.01405	0.3
74.53083	0.2
76.39990	0.3
79.95744	0.3
85.02967	2.2
93.03471	0.8
96.96024	9.8
97.95961	0.3
98.95605	5.1
98.96429	0.8
101.02452	0.7
107.95622	0.3
113.02469	0.4
119.05041	96.5
120.05384	3.7
123.04512	0.3
125.02467	2.3
134.93324	0.3
137.02425	0.3
139.04068	0.3
146.86180	0.3
147.02895	0.3
151.03975	0.5
161.02467	0.3
163.04027	100.0
164.01073	0.4
164.04375	5.1
167.03516	0.9
168.03975	0.3
175.04074	0.4
177.01987	1.5
191.01964	0.7
235.11856	0.9
243.02994	0.7
289.07208	0.8
325.09326	13.4
326.09659	1.3
329.27951	0.3
367.16144	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	693.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70920	2.0
59.01381	11.2
61.60435	2.1
61.98839	3.9
71.01386	8.6
73.02981	3.4
78.95883	3.9
89.02451	3.5
94.07476	2.6
96.96004	4.3
98.19888	5.5
101.02425	4.9
114.04390	2.2
138.93677	2.6
171.10281	22.8
183.13940	3.9
199.13307	2.4
209.11842	50.5
211.13412	100.0
212.13641	6.2
227.12859	14.7
229.08563	2.9
235.08287	4.4
241.61922	2.5
253.09343	5.0
295.22809	6.5
360.57529	2.4
414.82224	2.5
447.22519	12.1
591.05182	2.2
604.90320	2.2
633.39075	3.8
693.32452	15.8
694.32831	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	692.496
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05016	0.6
59.01381	5.3
61.98835	100.0
68.71362	0.6
78.95905	1.0
92.10104	0.6
96.96032	2.4
110.97491	0.6
111.99383	0.7
115.49201	0.7
138.76059	0.7
145.69376	0.6
174.67403	0.7
213.18732	1.1
229.81219	0.8
300.34692	0.7
313.23904	1.6
315.25427	5.7
316.25717	1.3
331.24753	1.1
389.20309	0.7
526.79974	0.6
529.55676	0.9
611.49042	0.8
629.50079	6.7
630.50201	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	29.7
59.01112	2.0
59.01386	27.4
65.35441	1.1
68.46259	1.2
68.99815	1.5
69.03435	1.9
71.01388	18.1
71.53768	1.3
72.99306	6.9
73.02939	2.1
73.40339	1.1
74.42979	1.2
75.00874	17.6
75.70620	1.2
79.95744	1.5
81.03475	3.0
85.02959	30.3
87.00871	7.9
89.02451	4.6
93.03481	1.5
95.01409	5.4
96.96027	40.5
97.69314	1.2
98.95609	23.6
98.96429	3.4
99.00897	10.8
99.04552	7.3
101.02441	4.7
103.00366	2.1
111.00893	2.9
113.01730	1.7
113.02467	23.4
114.02789	1.4
116.92885	3.9
117.01945	1.8
119.05025	2.7
129.01956	2.4
139.00330	1.6
147.02942	1.9
147.04503	1.8
149.06064	2.8
150.89908	1.4
151.04034	7.4
161.04605	2.2
163.03966	2.1
164.04749	3.5
165.05640	7.2
166.06412	12.5
173.00801	1.4
175.02495	2.1
179.03529	2.7
179.07167	9.1
181.05023	1.7
181.08687	4.7
195.06709	1.9
225.07704	30.5
226.08034	1.7
231.05020	2.5
249.06160	19.1
250.06647	1.3
267.06863	7.6
299.11389	12.3
341.12469	15.1
342.12897	2.6
381.15375	4.1
443.15149	1.8
468.63770	1.6
531.17145	2.1
549.18256	21.0
550.18524	2.8
572.28217	1.4
591.19385	34.4
592.19653	4.9
613.20801	1.6
631.22485	16.2
632.22986	3.2
693.22498	100.0
694.22913	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	691.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22041	0.4
55.01850	0.6
57.03446	0.9
58.00596	0.4
59.01387	2.9
61.98838	1.8
71.01396	3.8
71.14745	0.6
73.02943	0.7
80.02686	0.8
81.03486	0.7
83.01368	0.5
83.05038	3.9
84.02171	0.5
85.02946	2.5
87.00881	0.5
89.02457	1.3
95.05038	0.6
96.96001	2.4
97.06596	0.3
99.04548	0.4
101.02444	2.1
106.06683	0.5
113.02468	1.4
119.03523	0.5
125.02469	1.0
125.09755	1.0
127.11289	1.5
127.12142	0.4
129.01929	0.6
132.74506	0.4
135.08202	0.6
139.11284	0.5
155.10779	0.6
161.04602	1.4
163.04039	0.7
163.11307	3.2
165.12880	2.1
171.10231	2.2
172.10658	0.5
179.05585	0.5
179.63358	0.4
181.12384	0.6
191.01929	0.6
191.10829	1.3
201.11342	23.0
202.11699	1.1
207.10245	0.4
209.11845	100.0
210.12192	7.0
225.11362	0.7
226.11661	0.5
227.12903	13.8
228.13240	1.0
235.08234	2.5
253.09329	8.0
254.09706	0.6
283.02548	0.4
349.47223	0.4
375.22025	0.7
437.20456	0.9
445.20642	2.2
484.59357	0.4
571.15784	0.4
615.25592	0.5
637.32684	0.5
641.23096	0.7
691.24402	0.5
691.35516	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60628	3.2
58.79127	3.4
59.01388	5.6
61.98539	5.2
61.98836	59.3
71.54455	4.2
78.95913	65.5
80.09607	3.0
91.31441	2.9
96.96975	4.6
106.83556	3.5
132.06842	3.5
152.99603	100.0
165.12846	28.0
171.00677	6.7
174.95488	3.4
183.13937	87.5
184.14307	5.2
209.11823	6.3
227.03189	7.9
227.12889	25.9
277.21832	6.0
315.25558	5.6
363.12186	5.3
413.21307	4.0
435.13107	4.3
437.15717	25.8
454.31622	3.5
455.10870	5.8
455.16913	69.3
456.17471	6.4
691.26569	6.2
691.38141	83.7
692.38977	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	691.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31537	0.8
57.03445	1.6
57.14112	0.8
59.01385	7.6
61.98832	1.9
71.01391	7.6
71.01808	1.7
71.02187	1.0
73.02952	1.3
78.32907	0.8
80.02707	1.0
81.03447	1.4
83.01366	1.4
83.05023	3.4
84.14573	0.9
85.02950	2.3
87.00896	1.2
89.02437	3.6
95.05031	1.8
96.96027	1.8
97.06600	3.2
99.00938	0.9
101.02468	4.8
109.06596	0.9
113.02431	3.1
119.03551	1.0
151.07634	0.8
151.11290	14.1
152.11603	1.0
161.04608	2.0
163.11276	3.1
165.12889	1.7
169.12361	79.3
170.12727	4.3
171.10234	3.2
178.53873	0.9
189.66745	0.7
195.10243	1.3
207.10297	1.0
209.11855	48.1
210.12138	3.0
211.13399	3.6
213.11353	9.3
225.11287	1.2
227.12817	4.2
235.08200	1.6
253.09299	5.7
343.57056	0.8
351.83185	0.9
417.34445	1.1
431.19165	2.2
449.20499	6.7
474.87390	1.0
493.31812	2.0
493.50427	1.0
624.66125	0.9
637.32037	1.7
641.31897	2.1
655.31921	1.1
656.33514	1.0
659.32916	100.0
660.33270	18.6
691.35687	7.1
692.35797	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
58.89306	0.8
59.01386	17.1
61.98825	1.8
67.92039	0.5
69.03460	0.9
71.01390	20.4
71.05041	0.6
71.14483	1.0
72.99310	1.3
73.02950	2.0
78.95907	1.1
81.03459	0.6
83.01382	1.6
85.02958	4.5
87.00890	3.2
88.76426	0.6
89.02449	11.6
95.01404	1.2
96.96018	3.5
97.02945	2.3
99.00898	1.4
101.02455	9.4
109.06550	0.5
110.70277	0.5
110.79669	0.5
113.02468	5.5
119.03548	3.1
125.02448	3.6
125.09756	0.7
143.03496	1.7
161.04520	2.7
171.10286	5.3
179.05617	2.6
183.13983	0.6
185.11812	0.7
188.75211	0.6
195.13892	7.1
197.11884	0.9
199.09776	0.7
201.11375	1.9
205.12309	1.2
207.10280	1.0
209.11887	3.7
210.12184	0.9
211.13455	7.0
221.06667	0.9
223.13408	5.3
225.11331	1.5
227.13036	1.5
228.13577	0.7
229.14027	0.6
235.08223	3.5
253.09312	1.8
256.13269	1.0
275.20209	4.5
293.21252	100.0
294.21591	10.0
305.08664	0.8
397.13507	22.8
398.13828	1.7
415.14612	24.0
416.14978	2.0
445.36993	0.6
509.43149	0.6
649.38171	0.7
659.32098	0.7
691.35083	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	691.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88077	4.2
57.61591	3.9
59.01373	12.2
61.98828	12.0
71.01378	7.3
78.95909	34.6
85.02928	5.0
96.96002	11.5
98.19923	13.3
101.02455	6.0
128.76733	4.7
152.99574	14.0
171.10202	5.4
207.10268	7.0
209.11855	100.0
210.12134	5.9
211.13388	15.6
225.11279	8.4
227.12907	9.3
253.09268	5.6
445.20654	8.2
478.02353	4.7
637.32117	7.9
655.33270	10.1
670.45563	4.6
691.32660	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	4.8
57.03455	6.2
59.01388	35.1
60.98862	4.8
61.98832	14.1
63.67015	5.3
69.59724	35.2
69.79357	6.4
71.01369	39.0
73.02951	6.6
83.05023	5.8
85.02964	12.9
89.02454	17.0
96.96012	66.1
97.06607	5.3
98.19945	6.8
98.95611	7.2
99.49271	5.9
101.02438	25.9
106.75333	6.2
109.06585	12.1
113.02461	15.5
119.03461	6.9
119.04999	5.3
125.02429	11.1
125.09747	8.3
163.11258	12.2
165.12823	14.4
169.12321	8.8
171.10278	20.8
173.10869	6.0
183.13901	82.2
184.14220	8.3
185.11890	10.8
197.11845	12.3
201.11331	57.5
207.10266	29.2
209.11827	91.0
210.12109	10.7
211.13409	57.8
225.11317	23.1
227.12909	15.2
235.08231	6.5
243.12531	6.0
253.09283	22.5
263.08972	7.8
271.67807	5.6
291.85852	5.4
329.86923	5.1
373.23785	8.2
383.22086	12.0
401.23187	24.1
419.24045	6.7
461.20386	9.2
463.22177	7.0
493.35422	9.0
611.31030	8.9
619.31567	14.4
637.32416	100.0
638.32727	18.7
647.32904	37.3
649.38214	6.6
655.33331	41.2
659.32288	12.8
673.34473	67.0
674.34399	10.7
691.32886	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	5.5
59.01387	48.8
61.98830	25.1
62.75089	3.2
66.44456	2.9
69.34978	14.1
69.35403	12.7
71.01006	6.1
71.01387	70.0
73.02946	5.4
78.95913	10.0
79.16009	2.9
83.05029	4.9
85.02944	8.4
87.00881	5.0
89.02457	15.1
90.82346	3.4
96.96016	22.1
97.06592	3.8
98.20638	5.8
101.02444	17.5
102.94090	3.2
109.06616	6.3
113.02476	10.7
119.03518	5.9
121.06612	3.4
125.02467	6.3
125.09711	7.5
129.52104	3.2
152.99568	3.3
160.26375	2.9
161.04547	7.2
163.11255	11.3
169.12334	6.1
171.10297	45.5
181.12366	5.8
183.13931	9.4
185.11835	8.5
197.11824	9.1
199.09737	6.9
199.13379	6.2
201.11307	14.8
207.10249	30.5
209.11842	35.6
211.13432	100.0
212.13788	5.4
225.11333	19.6
227.12929	10.0
235.08208	11.6
235.17099	4.7
243.12360	4.6
253.09290	16.0
275.20096	8.5
287.31146	3.4
293.21222	19.2
295.59198	3.9
373.23822	4.8
383.22235	9.0
397.13519	10.8
401.23425	22.4
415.14456	6.6
419.24533	4.9
443.19122	4.2
447.22153	5.5
475.27393	4.1
493.31622	6.3
572.73322	4.1
609.32623	9.9
611.30615	6.1
619.31134	19.5
620.32355	4.6
637.32281	91.9
638.32623	13.3
650.34290	3.2
653.40839	13.2
655.33392	34.6
656.33374	5.9
659.32843	19.7
673.34808	3.7
691.33704	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	691.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88802	3.8
59.01384	25.4
61.98834	14.6
69.46326	21.0
71.01389	46.4
73.02954	6.5
83.05050	5.3
85.02956	9.8
89.02448	10.5
96.96024	37.4
98.19889	4.8
99.00884	6.3
101.02451	10.3
102.30907	4.0
103.22124	3.7
109.06637	8.8
113.02415	5.5
125.09741	6.3
151.11354	3.8
161.04619	4.6
163.11259	7.5
169.12354	19.5
171.10283	31.1
181.12479	5.0
183.13908	6.9
185.11777	6.8
194.84315	3.8
197.11816	5.0
199.13429	8.1
201.11360	10.3
207.10292	29.4
209.11839	36.0
210.12137	9.8
211.13441	81.2
213.11293	4.3
225.11372	24.4
226.11577	5.6
227.12833	8.1
235.08276	6.7
253.09283	17.2
279.29633	3.5
373.23984	4.4
383.22192	7.7
391.24988	5.9
401.23209	17.6
447.22372	5.3
461.20090	10.4
592.60406	4.2
609.32507	10.5
619.31317	18.9
637.32336	100.0
638.32556	18.8
655.33331	39.7
656.34052	5.8
659.32825	21.2
660.32324	4.2
673.33063	5.4
683.08960	4.8
691.30823	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	691.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81136	2.7
56.81856	2.7
57.03460	3.2
59.01160	2.4
59.01390	29.0
63.02404	5.7
65.00334	8.8
69.56625	5.4
69.57027	17.6
71.01393	16.9
71.01726	2.9
72.99315	3.1
73.02949	5.7
82.95393	2.8
83.01394	9.9
85.02958	14.6
87.00889	4.6
89.02439	10.0
93.03490	4.4
93.74338	2.7
95.01419	2.9
96.96021	18.2
101.02453	12.8
107.01408	15.8
113.02465	14.2
121.02951	11.9
125.02457	5.2
127.07587	3.4
151.00389	47.7
151.07668	16.1
165.12878	20.9
178.99919	23.5
183.12390	5.4
183.13913	52.6
187.09816	3.1
209.11801	11.5
227.12918	100.0
227.15157	5.9
228.13173	6.4
245.04315	3.0
248.97740	3.0
261.79105	2.7
266.27512	3.7
273.03851	2.8
285.04117	7.5
298.18765	4.3
301.00168	5.3
301.03589	86.0
302.03915	4.9
389.18140	16.3
414.36203	3.7
485.24408	3.4
535.34912	5.1
629.39063	13.9
647.40417	24.1
691.36987	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	691.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86906	0.1
56.23503	0.1
69.45874	0.6
69.46306	0.5
71.36312	0.1
76.44318	0.2
79.95744	3.6
96.96023	100.0
97.95928	0.3
112.31095	0.1
117.31007	0.1
120.59954	0.1
289.07202	0.2
297.07944	0.3
332.62836	0.2
338.02948	0.1
353.06851	0.5
362.14999	0.1
381.23767	0.1
383.07797	0.3
480.73514	0.2
557.39996	0.2
593.15228	2.0
594.15955	0.4
605.14612	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	691.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18317	0.1
52.59035	0.1
52.59329	0.1
57.03480	0.2
75.95477	0.1
79.95744	3.4
85.02962	0.2
96.96022	100.0
97.95961	0.3
98.95620	0.2
121.03002	0.1
125.02503	0.6
137.02420	0.2
156.70872	0.2
166.20648	0.2
177.01935	0.3
203.40305	0.1
223.06221	0.3
224.06432	0.1
297.23181	0.1
353.06720	0.2
353.27036	0.1
395.09418	0.1
457.06445	0.1
467.02979	0.1
539.15765	0.1
575.14282	0.3
593.15564	0.7
656.71521	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	689.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17203	6.7
56.99965	6.1
59.01368	15.2
61.98829	9.4
71.01395	10.3
71.29812	6.1
78.95904	19.0
89.02467	15.8
92.80373	7.3
100.58231	7.1
101.02470	17.7
112.06891	6.9
125.02451	9.9
129.97784	6.8
143.03542	8.6
181.44182	6.7
230.91820	6.8
235.08224	11.0
255.23328	44.8
362.37799	6.6
397.13553	100.0
398.13797	12.5
415.14676	30.5
570.85687	6.6
653.37573	16.8
689.35345	62.4
690.35095	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	690.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
56.24730	1.1
57.03456	9.9
59.01385	7.3
71.01383	18.5
71.53903	2.0
72.99328	2.0
75.00873	4.0
83.01411	1.1
84.02158	2.6
85.02959	84.5
85.04060	8.7
87.00894	3.0
87.05618	1.5
88.04044	1.9
89.02473	7.1
96.96022	28.8
98.20227	1.4
103.00366	2.7
107.05025	2.0
125.02472	1.7
126.45089	1.2
127.05122	1.3
128.03566	18.1
129.01955	4.0
133.01468	9.3
133.03009	1.6
135.04547	1.2
137.00699	2.1
139.02242	3.7
145.06235	3.2
147.02982	4.7
157.06218	14.2
160.01680	2.6
165.00093	3.1
167.01740	49.9
168.02023	1.7
177.02094	2.0
178.06197	2.4
179.04651	3.4
191.01996	19.9
191.98788	1.2
192.99666	21.7
196.07272	6.4
199.58647	1.1
209.03043	100.0
210.03308	3.1
211.00691	7.5
252.85312	1.2
268.09433	7.4
286.10461	46.8
287.10867	4.5
343.51175	1.4
454.13037	13.2
480.10852	41.1
481.11261	4.6
554.22070	1.2
574.54089	1.5
672.13586	3.8
690.14587	7.1
691.15356	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.34
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55843	0.7
57.03433	1.1
58.00585	0.9
59.01114	1.2
59.01389	15.8
61.98826	2.6
62.73901	0.7
69.03474	1.3
71.01390	41.4
71.01740	1.6
72.99332	0.9
73.02962	5.1
75.00871	1.0
78.95885	0.8
80.02683	1.3
81.03464	1.9
83.01385	2.1
83.05035	6.5
84.02176	1.7
85.02962	4.5
87.00878	3.9
89.02457	5.1
93.03458	0.9
95.01371	0.8
95.05027	2.5
96.96015	6.0
97.02962	3.8
97.06587	1.5
99.00893	5.0
99.04568	0.9
101.02463	9.1
106.59785	0.8
109.06617	6.3
110.03707	1.4
113.02481	4.4
119.03499	2.3
121.06665	1.0
123.08179	1.1
125.02425	3.5
125.06066	1.6
125.09750	4.1
127.11301	1.2
135.08141	1.2
143.03522	1.4
145.05086	1.2
149.09756	1.5
155.10760	1.1
161.04544	2.9
161.09705	1.3
163.11343	10.6
165.12886	6.9
169.12228	0.9
171.10286	38.0
172.10683	0.9
179.05630	1.0
179.10771	0.8
181.12376	7.4
182.82353	0.7
183.13942	6.7
185.11777	2.4
189.09218	1.9
191.10857	1.1
197.11848	4.3
199.13448	4.2
201.11357	18.0
201.13211	1.1
202.11665	1.2
207.10277	22.3
208.10574	1.5
209.11850	100.0
210.12207	5.9
211.13345	1.1
215.12878	1.5
223.13289	1.0
225.11340	35.7
226.11684	2.1
227.12892	13.2
228.13144	1.3
233.11765	1.0
235.08246	4.8
243.12425	6.4
247.20663	1.5
251.12866	2.0
253.09265	9.9
273.18698	1.1
291.16684	1.4
291.19711	19.9
292.19934	2.1
295.10376	1.3
301.16519	2.2
321.49216	0.8
397.13528	8.3
398.13757	1.0
399.21771	1.4
415.14496	4.9
417.22894	1.2
443.19308	1.2
461.20343	4.8
479.21167	2.2
509.27451	1.2
523.96814	0.8
527.28430	2.1
588.48169	1.0
645.33203	1.4
653.31824	3.9
671.32935	4.3
672.33472	1.4
689.21954	1.5
689.33856	28.4
690.34235	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	689.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84907	0.7
57.03460	1.7
59.01378	10.5
61.98843	3.6
69.03455	1.1
70.18644	1.6
71.01384	12.5
71.05016	1.8
72.32305	0.7
72.99283	0.9
73.02953	2.6
80.02696	1.4
81.03467	1.4
83.01382	1.5
83.05025	5.4
83.25781	0.7
83.39470	0.7
84.02171	1.0
85.02949	3.8
87.00883	2.0
89.02446	5.2
93.03463	0.8
95.01406	1.3
95.05041	1.9
96.96020	5.6
97.02962	3.6
97.06590	2.2
99.00874	6.4
101.02447	6.8
109.02962	0.9
109.06593	3.6
110.03718	0.9
111.00840	0.7
111.04503	0.8
113.02479	4.3
119.03529	1.1
123.08215	1.3
125.02430	2.4
125.09741	4.1
127.11246	1.4
135.08185	1.4
143.03490	1.5
145.05063	1.3
145.10272	0.9
149.09785	0.9
150.05609	0.8
155.10811	1.4
161.04584	1.5
163.11316	10.6
165.12866	2.7
171.10281	56.3
172.10637	2.1
179.05681	0.8
179.10736	1.0
181.12358	6.5
185.11919	2.0
186.64714	0.7
189.09175	1.4
197.11864	1.8
197.36290	0.9
199.09756	1.5
199.13435	3.9
201.11317	10.7
207.08366	1.2
207.10266	18.1
208.10655	0.9
209.11838	100.0
210.12183	7.5
215.12939	1.5
223.13356	1.0
225.11337	36.3
226.11739	2.8
227.12898	16.1
228.13220	1.0
235.08257	3.5
235.54678	0.8
243.12386	8.4
251.12747	0.9
253.09309	10.1
407.19226	2.4
443.19336	1.5
445.20874	1.1
446.20709	0.8
447.11526	0.8
461.20084	4.4
463.10260	0.8
479.21576	3.6
629.35913	0.9
653.31445	2.7
671.33276	4.0
672.32782	0.9
689.23810	1.1
689.33966	27.8
690.34155	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	689.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76080	0.6
57.44191	0.8
59.01375	6.3
61.98840	4.0
70.82666	1.4
71.01384	40.9
73.02946	3.0
76.97899	0.7
78.95897	3.8
80.02671	1.6
81.03458	2.3
83.01429	0.9
83.05024	7.0
83.73692	0.7
85.02955	2.2
87.00887	2.2
89.02446	3.2
93.03439	0.8
95.01423	1.0
95.05026	2.1
97.02954	2.7
97.06628	1.2
99.00882	2.0
101.02459	4.1
109.06577	5.8
113.02477	2.0
119.03560	1.0
119.05033	1.7
119.60783	0.7
125.06073	1.0
125.09722	2.7
127.11298	2.0
135.08141	1.6
145.05109	0.9
152.99559	1.9
154.10823	0.7
155.10777	1.7
161.04619	1.3
161.09668	0.9
163.11310	9.2
164.11789	0.8
165.12865	2.4
171.10277	31.9
172.10648	1.4
177.09267	0.8
179.10744	0.7
181.12361	3.2
185.11804	1.7
189.09242	1.2
191.10770	1.3
197.11806	1.6
199.09756	0.9
199.13449	1.3
201.11314	14.6
201.37895	0.8
207.10254	18.6
208.10638	1.0
209.11832	100.0
210.12201	5.5
211.13419	2.2
215.12965	1.2
223.13448	1.4
225.11333	26.8
226.11678	2.1
227.12888	12.4
235.08234	2.8
243.12465	2.4
251.12898	2.0
253.09303	10.3
311.59216	0.7
399.21643	1.0
417.23157	1.2
443.19254	0.8
461.20438	4.3
465.33289	0.9
513.56195	0.8
635.30334	1.0
653.31732	3.8
657.33978	1.2
671.32959	2.3
672.33752	1.0
682.93964	0.9
689.33850	9.0
690.34375	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63920	0.8
52.43897	0.9
53.74993	0.9
53.97739	0.7
55.01869	0.8
56.83068	0.7
57.03434	1.7
58.00587	1.3
59.01384	10.7
61.98827	1.5
69.03466	4.5
71.01388	10.2
71.05008	2.2
73.02937	2.3
80.02689	0.9
80.25887	0.8
81.03457	1.2
83.01384	1.6
83.05038	5.8
84.02164	1.6
85.02949	3.2
85.04081	0.8
87.00883	1.7
89.02448	3.9
95.01424	1.0
96.96028	6.5
97.02944	1.8
99.00867	2.4
101.02435	5.3
109.06596	2.3
113.02435	4.1
119.03522	1.6
123.08153	1.3
125.02427	1.5
125.06091	1.4
125.09743	4.3
125.62840	0.8
128.03488	1.3
135.08167	1.3
151.11279	2.3
153.12811	1.9
161.04559	1.6
161.09682	3.3
163.11308	6.3
165.12848	1.8
171.10289	9.5
179.05562	1.1
179.10776	7.6
181.12358	4.3
189.14296	0.8
197.11844	59.1
198.12148	3.3
199.13403	2.2
201.11305	1.3
205.08662	1.1
207.10254	6.5
209.11838	50.6
210.12173	2.9
223.09746	3.3
225.11328	11.9
226.11664	0.9
227.12898	5.2
229.45282	1.0
235.08345	1.4
241.10889	4.0
243.12395	1.8
253.09320	4.5
309.69839	0.8
459.18320	1.2
461.20224	2.1
477.19897	2.5
488.26352	1.2
616.31195	1.0
651.39667	1.0
669.31146	3.6
687.32312	100.0
687.78723	1.7
688.32642	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	687.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88766	0.7
55.01861	0.8
57.03435	2.0
59.01381	10.6
61.98841	1.6
68.99825	1.7
69.03459	1.4
69.26872	5.2
69.27278	1.1
71.01387	14.8
72.99331	3.9
73.02944	1.4
75.00877	8.6
76.98328	0.7
77.64692	0.8
78.95912	1.7
81.03459	1.0
83.01383	1.4
83.05011	3.0
83.08380	0.7
84.02247	1.0
84.35484	0.7
84.75844	0.8
85.02966	11.3
86.03262	0.7
87.00882	4.3
89.02443	2.9
95.01377	2.6
95.05037	1.3
96.96024	1.8
97.02966	1.2
97.06574	1.1
98.20688	1.3
99.00900	6.2
101.02444	2.5
101.90781	0.7
103.00373	0.9
109.06586	2.6
111.00928	1.3
111.04551	1.5
111.08173	1.4
113.02473	10.8
115.00344	0.9
117.01968	1.1
125.09707	1.9
127.04086	0.8
129.01971	1.6
135.08124	0.7
137.47359	0.7
139.07639	1.1
151.11247	1.5
152.99681	0.8
161.09818	1.0
163.11282	2.7
165.11612	1.0
165.12866	13.1
169.12325	1.1
171.10289	10.9
175.02469	2.3
179.10757	2.5
181.12421	1.5
183.13918	85.5
184.14240	4.1
185.11885	1.0
197.11813	2.8
205.08664	2.1
207.10275	3.7
209.11847	30.1
210.12177	2.2
211.13420	3.2
213.11380	1.4
223.09793	7.3
224.10162	0.9
225.11394	4.5
227.12897	10.5
227.20058	1.0
235.08189	1.7
241.14413	1.7
248.81311	0.8
249.06273	1.0
253.09242	2.8
308.39404	0.7
322.12918	0.8
415.19925	2.4
419.01395	0.8
459.18781	1.6
477.19778	2.1
511.28970	4.8
625.32751	6.1
643.33142	1.0
651.30188	1.6
666.36676	0.9
669.31232	6.7
670.31177	0.9
687.32330	100.0
688.32751	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	687.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42237	1.7
59.01387	88.7
60.01702	2.4
61.98830	11.4
70.89996	3.5
78.95912	2.1
88.27502	1.7
136.94012	4.3
148.60559	2.0
157.03484	3.6
159.01500	5.8
178.95088	14.5
198.90497	1.8
201.02579	100.0
202.02759	21.2
203.02318	19.5
203.99992	4.3
217.00369	1.7
320.96381	10.9
334.87741	3.3
358.87784	4.9
439.25443	1.7
440.86322	3.4
442.86612	3.0
462.97699	2.5
482.87747	2.8
483.87564	2.1
484.87463	8.5
556.46716	1.8
626.88916	11.3
627.88531	3.0
661.28198	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31614	1.0
59.01373	2.0
69.03457	4.8
71.01398	1.1
71.21146	2.4
73.04063	1.4
85.02972	6.2
89.02431	1.5
90.52435	1.0
93.03457	2.5
96.96017	4.3
97.02943	2.4
98.02505	1.2
108.02189	61.6
109.02972	11.0
109.34145	1.1
109.82303	1.2
117.03494	1.5
119.05036	1.7
120.01270	7.8
121.02980	5.0
122.03719	3.4
123.04546	4.4
125.02457	3.7
130.06247	1.4
130.08755	5.7
132.02170	1.8
133.02986	3.5
134.03763	12.9
135.04523	3.7
137.02426	1.8
145.64368	1.1
149.02458	7.4
149.06075	3.2
150.03256	22.5
151.00359	1.6
151.04037	11.6
152.01169	94.7
153.01959	11.5
160.00504	1.2
160.01698	15.1
161.02480	7.5
165.05582	14.6
166.02661	2.6
166.06076	1.5
175.02562	1.7
175.04019	21.9
177.01964	2.2
178.02734	3.9
179.03488	1.5
181.05113	5.8
184.07434	1.2
184.28847	1.0
185.16609	1.1
191.01935	2.5
193.05084	10.8
195.06577	2.1
201.09909	1.1
282.08981	2.1
284.23486	1.3
297.06247	5.5
300.13162	1.4
323.07660	1.4
337.09366	2.6
389.12540	1.3
490.11246	9.5
491.11905	8.8
505.13535	6.3
597.22113	1.3
639.16852	1.7
642.34760	4.5
643.34821	6.7
651.17206	1.2
656.36365	1.1
686.37152	4.0
687.19299	100.0
687.36334	8.2
688.19415	17.8
719.62915	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68673	0.3
59.01377	1.0
71.01379	1.2
75.00874	0.8
85.02968	1.2
93.03490	0.6
96.96015	1.1
98.20647	1.0
108.02174	0.7
109.34357	0.3
120.01268	100.0
121.01609	1.1
123.00876	0.4
129.02000	0.4
137.02513	0.5
145.02994	0.4
151.00441	0.4
152.01143	0.8
160.22452	0.4
163.04060	0.4
167.03523	0.6
175.06453	0.4
186.02470	0.4
190.08777	1.3
190.34126	0.4
191.01984	0.4
220.09659	0.4
266.36230	0.4
273.46432	0.4
309.04105	1.3
327.04987	1.0
429.08307	1.2
447.09628	0.5
473.83005	0.3
623.14215	0.8
685.40796	0.5
686.17957	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03394	0.3
59.01375	1.2
63.70776	0.3
71.01389	0.9
71.54768	0.4
77.43953	0.3
83.22411	0.3
85.02959	1.1
87.00873	0.4
89.02484	0.5
93.03437	0.5
96.96019	0.7
101.02449	0.8
107.98605	0.3
108.02176	0.3
116.32507	0.3
119.85287	0.3
120.01263	100.0
121.01586	1.3
123.04572	0.4
125.02454	0.5
136.01704	0.5
137.02496	0.5
141.09915	0.4
145.03091	0.3
152.01134	0.9
167.03476	0.6
177.01974	0.4
190.08794	0.7
193.03204	0.4
211.04314	0.7
220.09737	0.5
309.04092	1.1
327.05011	0.5
328.11633	0.3
331.17960	0.3
360.72504	0.4
374.32275	0.4
429.08441	1.1
503.42383	0.4
525.18066	0.4
540.92627	0.4
568.82306	0.4
572.10181	0.3
623.14325	0.6
685.40344	0.4
686.18311	0.5
686.33362	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28720	1.6
55.01880	3.7
57.03450	7.8
59.01386	22.0
63.35955	1.5
67.01906	2.3
68.99839	2.2
69.03466	12.6
69.81069	3.3
69.81477	6.9
71.01391	29.8
72.99306	5.2
73.02951	13.4
77.79543	1.6
81.03461	1.7
83.01383	13.7
83.05051	2.0
84.02163	2.4
85.02561	1.0
85.02960	82.1
87.00887	100.0
88.01250	1.7
89.02473	6.6
93.03436	1.8
95.01404	26.1
97.02965	34.0
97.19292	1.8
98.20706	3.5
99.00906	2.0
101.02460	5.2
103.04026	11.0
109.02957	2.7
111.00888	30.1
111.01581	2.5
113.02469	45.7
114.02786	1.9
115.00379	13.3
125.02464	3.2
127.04020	7.8
129.01958	5.1
139.00380	30.6
145.05032	1.7
155.03545	6.2
157.01454	29.2
163.06137	3.9
173.04617	3.8
175.02490	48.7
175.04004	2.6
199.02541	4.7
217.03551	32.7
219.96062	1.9
259.04581	3.2
259.08121	1.6
285.06210	5.0
303.07196	22.3
304.07651	2.4
321.08337	7.5
341.10901	5.9
342.11221	5.9
343.11340	7.2
345.08215	18.5
363.09235	8.3
373.22711	2.0
460.96030	1.8
466.76089	1.7
479.10605	2.7
521.11481	28.9
522.11505	2.9
539.12378	2.5
581.13702	15.8
592.06012	1.7
625.16327	4.7
638.98230	1.8
667.17316	16.1
668.16412	2.1
685.18420	31.5
686.18701	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	685.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.4
59.01387	8.9
61.98826	2.0
69.03458	1.9
71.01393	10.1
71.09683	0.7
71.54906	1.2
71.55272	0.8
72.99318	1.1
73.02971	1.8
75.00891	1.6
79.01901	0.9
83.01384	2.9
85.02973	7.4
87.00883	1.8
89.02475	3.5
93.03474	1.5
95.01397	14.9
96.96017	3.1
97.02980	4.2
99.00867	1.3
101.02447	5.2
107.01402	1.9
108.02180	2.2
109.02956	1.8
111.00940	0.8
113.02466	3.0
120.00423	1.3
120.01265	16.9
121.02969	1.2
123.00902	87.4
124.01699	33.5
125.02473	45.9
126.02795	1.6
128.56570	0.7
129.01956	0.8
134.03767	0.9
135.04512	1.3
137.02490	1.4
145.02930	1.7
149.02443	1.3
149.99602	30.3
151.00410	4.9
161.02446	1.6
162.52484	0.8
163.04028	1.7
166.99881	4.3
167.02179	1.4
167.03510	20.1
168.00661	54.7
169.01396	7.1
191.01993	2.0
191.03506	2.9
195.03000	2.8
223.07701	0.8
249.05818	1.0
251.07275	1.6
267.06757	3.5
269.06683	6.6
279.06558	2.8
282.08832	1.7
294.05414	0.9
294.08945	1.6
297.11346	1.1
308.06787	0.9
309.07681	0.7
313.05698	35.7
314.05969	2.1
322.08459	1.4
323.05652	1.7
323.09274	1.3
331.06747	31.7
332.07162	1.6
338.07858	3.1
341.10297	1.7
346.77081	0.7
351.92191	0.8
353.10297	2.8
445.09586	0.9
523.16937	1.0
523.34521	1.6
593.31519	1.4
655.16815	1.2
684.39325	3.4
685.17749	100.0
685.39734	5.9
686.18188	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	685.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72299	0.8
71.01388	14.9
71.49517	1.2
85.02987	1.5
87.00883	1.0
108.02181	2.0
109.02977	1.3
113.74030	0.8
115.00391	7.7
121.02973	100.0
122.03310	3.4
125.02466	1.4
133.02962	7.1
135.04582	1.3
145.97768	0.8
151.84142	0.8
163.04036	1.7
175.03972	1.8
191.19304	0.9
193.01511	1.0
211.03951	0.9
220.06387	0.9
237.04039	15.5
237.06165	1.4
278.18890	0.7
282.20596	0.8
284.03372	4.4
285.04056	5.7
297.04031	10.1
298.04724	4.5
299.05658	10.3
300.06036	1.1
313.00043	0.8
327.05121	64.0
328.05539	5.2
339.05133	2.0
345.66437	1.1
357.06207	18.0
358.06436	1.6
393.06689	0.9
447.09366	57.7
448.09723	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	683.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21053	0.5
57.03455	4.6
59.01389	4.2
61.36217	0.5
63.35859	0.4
69.25930	4.3
71.01393	4.3
71.05038	0.5
72.67365	0.5
73.02955	1.5
80.02694	0.6
81.03492	0.6
83.01403	0.9
85.02976	1.8
87.00883	2.5
89.02456	1.7
95.05033	1.8
97.06600	15.8
98.74078	0.5
101.02457	4.2
113.02484	2.4
119.03501	0.5
122.68787	0.5
123.08176	9.1
124.08601	0.5
125.09738	83.5
126.09237	0.6
126.10040	3.2
143.10794	1.1
145.05081	1.4
152.99655	0.6
161.04539	1.4
169.08701	1.5
187.09772	35.1
188.10083	1.5
235.08186	3.1
253.09267	3.2
255.23341	1.1
261.13385	1.2
277.21747	46.9
278.22153	4.5
405.17667	5.5
423.18839	5.7
424.18979	0.7
426.76331	0.6
517.90094	0.6
521.35114	0.9
683.40149	100.0
684.40509	23.3
684.49481	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14402	0.7
54.22461	0.8
59.01374	0.8
71.54730	1.2
85.02949	0.7
91.01902	14.6
109.02986	0.9
119.05042	37.0
120.05420	0.9
132.05811	10.5
135.00906	26.5
149.02464	0.8
153.01950	11.9
157.06561	0.9
159.08171	2.4
164.04805	5.8
166.21419	0.6
171.10220	1.9
187.11302	47.1
188.11624	2.9
203.07159	12.6
221.08202	6.7
255.06665	3.2
255.23289	1.2
277.21869	1.2
323.12912	100.0
324.13260	10.1
391.19254	8.8
392.19675	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.4
57.03446	2.2
58.00599	0.9
59.01387	27.5
61.98826	1.7
71.01389	28.0
72.01711	0.5
72.99317	2.0
73.02962	6.8
75.00879	2.6
83.01400	5.8
85.02962	12.5
87.00879	2.1
89.02460	11.7
95.01390	2.9
96.96005	2.0
99.00890	3.2
101.02454	18.3
101.03120	1.2
102.04041	0.5
108.02179	0.7
110.64122	0.6
111.00903	2.4
113.02476	9.7
116.92827	0.7
119.03519	4.6
125.02435	0.7
129.01941	1.2
129.03934	0.6
137.09732	0.9
143.03592	1.0
152.01204	1.7
155.10820	0.9
159.02956	1.2
161.04576	2.7
167.03496	0.7
167.32306	0.6
167.73407	0.5
179.05609	1.5
181.04947	0.7
191.01973	0.8
201.15001	1.7
209.03053	0.6
231.16032	1.7
293.04608	0.7
341.26929	0.7
359.28009	6.4
433.28180	2.5
477.27335	0.8
501.15598	0.7
503.31787	1.0
521.16711	1.1
521.33362	12.7
522.33661	1.3
540.90198	0.6
589.73090	0.6
683.38702	100.0
684.39014	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	683.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78360	0.4
57.03461	3.4
57.13334	0.4
59.01393	6.4
61.98824	0.6
62.54160	0.4
63.89451	0.4
71.01382	4.6
71.02010	0.5
78.95935	0.5
83.05022	0.5
85.02957	1.1
86.70837	0.4
87.00878	0.6
87.07555	0.4
89.02447	3.8
94.81181	0.5
95.05074	1.2
97.06599	13.9
101.02474	3.8
106.05716	0.4
113.02489	2.0
119.03533	0.5
121.83878	0.4
123.08187	8.0
125.09739	100.0
126.10077	3.9
142.09921	0.4
143.10779	1.2
161.04558	0.6
161.92581	0.4
169.08730	2.2
175.32088	0.5
179.05605	1.0
187.09773	76.3
188.10138	3.0
211.09705	0.8
243.12160	0.5
253.09256	2.2
255.23392	1.0
261.13367	1.4
277.21738	16.3
277.24820	0.8
278.22205	1.7
298.07379	0.5
350.49936	0.5
405.17651	6.8
423.18765	18.5
424.19034	1.8
644.20172	0.5
683.40179	92.9
684.40509	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	683.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89322	0.6
57.03456	1.5
58.00590	2.2
59.01387	42.9
71.01391	33.5
72.01692	0.7
72.99309	2.0
73.02962	1.5
83.01399	1.1
85.02961	6.0
87.00886	2.7
89.02454	43.7
90.02827	0.7
95.01389	1.7
101.02453	17.6
113.02466	12.4
119.03516	14.7
128.37405	0.6
131.03529	1.9
133.03001	0.9
143.03540	2.3
147.62930	0.6
149.04568	1.4
161.04576	4.1
176.11320	0.6
179.04164	1.1
179.05638	19.0
245.37482	0.7
341.10913	100.0
342.11224	7.1
391.07489	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.7
56.32183	0.6
56.99633	0.6
57.03464	1.4
59.01385	14.3
61.98831	1.2
69.47332	0.6
71.01390	11.8
71.55422	0.9
72.99326	1.4
73.02968	1.8
75.00901	1.8
83.01404	1.2
85.02964	6.7
87.00915	1.2
89.02449	5.7
93.03477	1.2
95.01411	2.1
96.96046	3.2
99.00884	1.1
101.02456	6.9
108.02187	50.2
109.02516	1.5
111.00896	1.4
113.02464	5.0
119.03512	2.2
119.05033	0.8
123.04543	19.4
125.02454	1.1
133.06607	1.6
137.02422	0.8
139.04106	0.7
145.03011	1.4
146.03687	0.8
147.04472	1.5
150.03168	0.7
152.01170	96.2
153.01466	3.7
159.04498	0.9
161.04613	1.0
161.05991	1.1
163.04036	0.9
167.03513	100.0
168.03842	4.7
169.30075	0.6
173.02393	3.4
174.03230	12.4
175.03955	1.4
179.05641	1.2
179.27725	0.6
187.04007	0.7
188.04822	2.1
189.05490	1.2
191.01938	1.4
191.03503	1.2
191.07152	1.4
202.02684	4.3
205.05109	0.8
206.02162	1.5
207.06686	0.6
214.02762	1.8
215.03545	3.3
216.04254	1.3
217.05026	2.0
220.03735	0.9
229.05096	3.1
237.05563	0.7
243.51564	0.6
249.05756	1.1
251.07169	0.9
263.07129	1.2
265.05258	0.8
267.06595	1.4
277.05042	1.5
278.05673	0.6
279.06586	2.0
280.07205	0.9
293.04672	1.5
294.08865	0.8
295.06192	0.8
304.07367	0.8
305.04419	1.9
307.06250	1.0
308.06964	3.4
309.07635	1.3
310.08081	0.9
311.07724	1.7
320.06830	1.4
322.08545	0.9
323.05698	1.3
323.09061	4.6
324.09695	1.2
335.09308	1.6
338.08057	2.5
341.10278	2.1
353.10330	39.1
354.10587	3.2
371.11447	4.2
379.10358	1.5
395.11301	2.1
477.26880	1.2
483.13065	1.7
485.14581	11.9
486.14816	1.1
492.17621	1.1
497.14594	6.5
498.15396	1.0
503.32211	1.4
515.15594	52.6
516.15991	9.5
521.33142	2.7
524.20209	1.5
623.36346	2.2
641.37451	1.5
653.18628	2.7
665.18524	2.8
683.19556	2.5
683.38959	18.2
684.38568	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	683.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67118	1.1
57.03456	1.3
59.01390	9.8
60.02164	1.0
60.99297	1.2
61.98841	12.9
68.99815	1.6
69.03441	1.2
70.83144	2.2
71.01389	6.7
72.99319	1.6
73.02966	2.4
75.00880	3.8
80.65653	1.0
81.03467	8.3
82.36018	1.0
83.01394	7.1
83.66843	0.9
85.02956	6.7
87.00886	1.1
88.98800	3.7
89.02452	3.7
93.03461	6.0
95.01376	2.8
95.05020	4.5
96.96027	3.2
97.02951	6.7
97.06630	1.1
99.00899	1.4
99.04535	3.0
101.02437	4.3
107.05040	2.4
107.10364	1.0
107.14491	1.1
109.02952	3.0
111.00903	1.0
111.04530	2.5
113.02425	3.2
115.00391	1.0
119.05034	8.7
121.02957	4.4
121.06555	1.8
122.06150	1.2
123.04540	15.6
125.02452	14.0
126.02799	1.4
133.06538	1.1
135.04526	6.4
137.02478	5.8
137.06073	5.9
139.04025	9.3
142.11497	0.9
147.04517	3.8
149.02448	1.3
151.04068	4.7
153.05534	1.6
159.04462	1.1
161.06116	2.1
163.04030	6.6
165.01888	3.4
165.05598	7.7
166.02686	1.7
167.03511	28.0
175.02501	1.1
177.01830	1.1
177.05559	2.3
178.79878	1.1
179.03506	5.3
179.07051	1.1
181.05058	1.2
189.05550	8.4
191.01888	1.5
191.03487	2.2
193.05049	3.5
197.04547	5.7
207.06607	1.1
209.04561	28.4
219.06580	1.2
221.04614	5.6
229.08702	1.5
239.05602	9.9
251.05591	3.8
263.05374	1.4
269.06693	1.7
273.07629	3.0
315.08771	14.6
316.08926	1.4
327.08826	7.8
345.09799	6.1
357.09821	100.0
358.10098	8.8
369.09610	3.5
371.11273	1.3
387.10898	77.1
388.11240	7.5
399.10797	3.7
417.11972	28.1
418.12332	3.5
423.10959	1.3
429.11786	1.4
441.11792	2.7
459.12909	6.0
471.12961	1.6
477.14026	24.2
478.14273	2.0
489.13861	4.0
501.14102	3.0
507.15378	2.7
508.20813	3.8
519.15314	4.4
521.33533	2.2
531.15070	1.5
549.16199	1.7
563.14465	1.2
579.16010	1.1
597.18140	2.2
621.17657	1.2
622.27148	1.2
639.19086	2.6
683.18958	2.0
683.39130	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	681.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03762	0.9
69.53621	7.0
77.10313	1.2
81.03453	2.5
83.05035	2.5
85.69244	0.9
104.76570	1.2
106.04285	1.1
109.06670	1.3
119.05039	100.0
120.05376	3.0
123.08204	7.2
130.04269	3.1
143.05034	1.7
145.06595	2.5
157.06572	2.9
159.08118	2.8
185.11919	1.9
187.03983	1.4
203.18120	1.4
205.15991	18.3
220.87495	1.1
227.14450	2.0
245.19138	16.6
246.19441	1.5
247.17030	4.1
271.13400	21.0
272.13782	1.9
289.14539	17.6
289.18115	86.1
290.15366	1.7
290.18408	7.1
366.74060	1.0
391.19186	94.1
392.19504	12.7
416.79562	1.1
483.14935	1.0
570.68933	1.0
592.26495	1.1
643.22943	2.4
656.69135	1.1
660.89923	1.2
662.50940	1.1
681.20099	10.1
682.20972	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70961	1.1
57.40142	1.3
59.01386	39.1
61.01017	1.3
69.22296	8.6
69.22707	4.9
72.99309	4.5
83.44988	1.3
98.19843	2.8
103.05524	4.4
117.03465	6.3
119.05058	7.1
135.04489	1.4
137.66954	1.3
147.04541	100.0
148.04861	3.3
159.04454	1.6
161.02403	1.5
163.04016	4.0
165.05585	85.8
166.05927	3.9
183.70088	1.2
191.03409	2.0
207.06633	43.9
208.06923	2.6
225.05565	1.5
239.07184	2.0
267.67126	1.4
269.04395	1.4
283.06180	30.2
284.06445	2.2
311.05646	58.4
312.05893	4.3
313.71701	1.4
323.05457	2.6
341.06631	4.3
431.09830	47.6
432.10162	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	681.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39307	0.8
52.96679	0.8
55.01865	0.7
57.03451	2.1
58.00583	1.3
59.01386	34.0
66.92992	0.7
67.01892	0.9
68.99832	1.3
70.01286	3.8
71.01009	1.5
71.01390	20.8
72.99316	2.9
73.02944	1.9
75.00887	9.0
83.01382	1.9
85.02965	13.1
86.32363	0.9
87.00896	4.7
87.89726	0.8
88.76342	0.8
89.02452	9.6
90.54479	0.8
94.03023	3.8
95.01398	4.3
96.96011	1.6
98.20668	1.0
99.00869	6.9
99.04513	4.0
99.57198	0.7
101.02444	6.2
103.00396	1.3
113.02464	14.5
117.01986	2.0
119.03528	2.2
122.06192	1.3
129.01952	1.2
131.03502	0.7
138.05611	1.7
138.59296	0.7
156.77521	0.8
165.12926	1.0
175.02562	1.6
189.12817	1.6
207.13977	7.2
231.05093	1.9
249.06209	9.4
251.13002	4.6
258.84259	0.8
267.07202	2.5
267.11295	1.5
276.09097	1.0
291.11475	5.1
293.09509	1.1
308.11676	1.1
325.16397	0.9
335.10339	1.6
340.10565	1.0
402.14883	1.1
415.51169	0.8
419.80991	0.8
439.19870	1.0
457.20688	2.0
475.17227	1.1
483.18817	1.4
492.17871	4.1
501.12439	1.4
501.19791	21.2
502.20303	1.9
519.20520	2.5
524.20300	6.1
589.23474	1.3
591.80267	0.9
601.22760	2.3
613.23407	1.0
615.81451	0.8
631.24432	5.5
632.24164	1.2
649.25323	3.7
663.26770	4.4
673.76227	0.8
681.26129	100.0
682.26556	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	679.246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52066	0.8
55.01868	1.3
57.03432	3.0
57.31432	0.8
58.00578	1.6
59.01386	33.6
60.95136	0.9
68.99818	1.5
69.38331	6.8
71.01019	1.5
71.01392	25.4
72.99322	4.1
73.02954	1.6
73.90440	0.8
75.00884	11.2
83.24768	0.8
85.02466	1.4
85.02957	19.7
87.00883	8.3
89.02450	9.9
91.04033	1.1
95.01382	4.4
96.00933	1.0
98.19810	1.2
99.00883	9.7
101.02443	3.6
103.00399	1.2
113.02462	28.2
114.02811	1.2
115.00340	1.5
117.01962	1.9
119.03487	1.9
120.92565	0.8
124.88396	0.9
129.01965	1.7
135.04523	1.5
157.01424	2.0
161.13364	6.5
168.11549	0.9
175.02451	2.1
187.11293	3.7
205.12332	8.6
231.05028	1.0
249.06175	13.3
249.11328	1.6
250.06357	1.1
267.07233	44.7
268.07706	1.6
276.95959	0.9
323.14883	1.7
437.17523	1.0
455.19278	6.1
481.17215	2.1
499.18246	32.5
500.18683	4.0
517.19464	1.9
618.37372	0.9
679.24585	100.0
680.14276	0.6
680.24884	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.2
57.41741	0.8
58.00587	2.2
59.01386	33.9
65.53848	0.9
69.03469	1.3
69.41850	2.2
69.42249	5.8
71.01016	1.7
71.01392	26.6
72.99311	5.4
73.02935	1.7
75.00884	13.1
83.01398	2.1
85.02962	22.8
87.00883	8.1
89.02456	9.9
95.01399	4.7
98.20628	2.1
99.00884	8.2
99.04530	1.0
101.02483	4.2
102.56010	0.9
103.00367	2.3
109.02979	0.9
111.00892	1.1
113.02465	28.3
115.00393	2.0
117.01946	2.4
119.03497	2.1
129.01918	2.0
161.13409	7.1
175.02461	1.5
187.11302	5.0
205.12401	7.0
205.44778	0.9
207.05101	1.8
231.05051	1.8
249.06183	13.6
249.11458	1.2
267.04349	2.1
267.07236	40.0
268.07709	2.1
271.35623	1.2
317.11304	1.4
333.03891	1.0
335.12524	6.3
455.19391	6.8
499.18298	19.1
500.18457	2.9
517.19153	4.1
617.38928	1.2
661.22986	1.6
679.24548	100.0
680.24884	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	677.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56186	0.2
55.78424	0.2
58.02962	0.2
59.01378	0.4
71.01374	0.3
71.31547	0.3
75.44444	0.1
80.05070	0.2
81.03468	6.8
82.06622	0.2
83.05038	17.5
84.05391	0.2
85.02962	0.4
96.96024	0.6
100.07678	0.2
107.06133	0.4
107.79881	0.1
108.04556	0.6
119.03513	0.2
125.07241	1.4
126.05589	0.5
143.08263	0.5
207.15016	1.8
222.16147	0.3
224.17714	2.7
225.16113	11.5
226.16483	0.6
242.18718	0.9
247.45421	0.2
250.15512	0.2
290.22351	0.2
309.21866	0.7
324.26682	0.7
333.22894	0.9
339.27509	0.2
341.29181	1.0
351.24136	0.2
367.27124	1.3
407.34149	0.3
433.31793	1.5
450.34677	1.8
451.26672	0.3
451.32953	5.6
452.33191	0.7
455.56982	0.2
468.35519	0.2
550.43323	1.1
551.43768	0.2
559.39752	0.4
565.44641	0.3
567.45917	0.2
593.43896	0.6
645.21057	0.2
659.48444	1.4
660.49396	0.5
677.49750	100.0
678.50079	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	679.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17736	1.1
53.23293	1.1
59.01387	6.8
67.72092	1.1
70.51880	3.2
71.01392	2.6
79.01881	2.1
83.01392	1.2
85.02958	2.8
87.00882	1.2
93.03453	3.0
96.96030	6.2
99.41182	1.0
103.00393	1.4
109.02962	1.3
113.02454	1.2
117.03468	9.0
119.05021	2.4
122.06128	2.0
125.02452	1.7
130.56602	1.1
135.04549	3.7
147.04520	1.2
149.02449	3.1
159.04480	1.5
161.02448	4.1
163.04060	2.6
175.03992	2.7
177.01927	1.7
177.05560	2.8
179.03604	1.8
189.01927	1.6
189.05650	1.4
191.01927	1.5
191.03540	1.8
195.04745	1.0
203.03545	2.4
205.04997	1.2
208.60640	1.0
215.03569	1.8
221.04515	1.2
229.09772	1.8
253.08720	1.6
257.09128	1.0
267.06665	1.6
268.07568	1.3
273.12384	1.1
281.04587	1.6
282.05185	3.1
283.06229	6.0
295.06165	5.5
296.06784	4.4
297.04474	2.0
297.07700	31.4
298.07947	2.9
307.06165	3.9
309.07730	4.3
311.05630	5.9
323.05490	6.2
324.06290	2.5
325.07242	13.9
328.05893	5.3
335.05621	3.2
335.12589	6.8
336.85858	1.0
337.07214	7.2
353.06696	64.5
354.06992	6.2
355.08328	2.1
365.06775	8.6
367.08115	1.6
383.07761	35.9
384.08096	3.6
395.07556	3.4
413.08881	3.7
437.08981	2.3
455.09720	3.2
473.10886	20.6
474.11011	2.6
503.12064	9.2
515.12024	8.2
557.13074	2.7
575.14026	6.2
593.15131	50.9
594.15576	7.6
635.16211	100.0
636.16565	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	677.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
57.03437	1.3
58.00599	1.8
59.01385	36.7
60.04536	0.3
61.98844	0.5
68.99836	0.6
69.03467	2.2
71.01389	35.4
72.01718	0.6
72.99326	2.6
73.02956	6.2
75.00880	1.2
78.95896	0.7
81.03452	1.8
83.01394	4.3
83.05018	0.3
85.02963	7.1
85.55614	0.3
86.00098	0.5
87.00885	9.8
89.02454	29.6
91.04011	0.6
95.01402	2.4
97.02962	6.3
99.00880	1.8
99.04523	0.5
101.02455	28.4
102.02794	0.4
103.04034	0.4
109.02946	0.8
111.00878	0.7
111.04506	0.8
112.01666	0.4
113.02462	14.2
114.02768	0.6
115.04025	0.6
119.02672	0.6
119.03518	9.2
119.05030	1.2
121.02972	0.5
123.00905	0.6
123.04585	0.4
124.01701	0.4
125.01543	0.6
125.02464	12.4
131.03520	1.7
133.05067	1.1
139.03972	1.0
139.77011	0.3
141.01941	0.5
143.03511	6.4
144.03842	0.3
149.02451	0.3
149.04565	1.2
153.01993	0.4
157.05107	0.4
161.04572	6.5
164.88254	0.3
167.03548	0.8
169.05089	0.7
179.04160	0.5
179.05638	6.5
181.05148	0.4
185.04622	0.7
199.06181	0.3
203.05560	0.5
217.07217	1.5
221.06720	2.1
235.08255	13.7
236.08661	0.6
245.06622	0.8
253.09355	3.0
261.22235	0.6
263.07748	1.5
277.09378	0.5
279.23309	100.0
280.23663	8.6
287.07745	2.8
293.25034	0.4
305.08807	3.6
323.09940	1.7
339.12527	0.4
379.12439	0.9
397.13525	74.6
398.13885	5.0
407.18927	0.3
415.14612	31.2
416.14969	2.6
456.42593	0.3
677.24365	1.0
677.36206	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68990	1.7
55.09412	1.6
55.86107	1.9
59.01393	20.1
59.79609	2.5
61.98835	14.4
69.97510	1.8
71.01387	10.9
71.54327	2.9
73.02959	3.8
73.66902	2.0
82.31332	1.7
83.05038	2.1
85.02965	5.2
87.00869	1.7
89.02465	3.4
96.96027	10.1
101.02424	4.5
102.18911	2.0
103.67044	1.5
113.02468	2.9
127.00381	3.1
161.28116	2.0
163.11314	2.3
165.12860	3.3
169.12381	4.3
171.10289	100.0
172.10648	4.2
185.11891	3.0
197.11861	3.8
199.09764	2.9
209.11856	85.6
210.12180	6.5
211.13423	2.3
227.12929	12.8
228.13164	2.2
235.08260	3.0
249.10898	2.1
253.09332	7.5
450.84665	2.1
677.34766	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	677.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
65.07175	0.1
71.54467	0.1
79.95746	3.2
82.60458	0.1
85.02983	0.2
96.96024	100.0
97.95950	0.4
125.02448	0.2
127.70593	0.1
143.65541	0.1
161.94495	0.1
245.00334	0.1
307.81403	0.1
312.06381	0.2
313.07104	0.2
341.07159	0.1
353.07095	0.1
369.06155	0.7
399.07144	0.7
410.73492	0.1
429.08380	0.2
434.27933	0.1
444.58572	0.1
459.09274	0.2
489.10464	0.3
570.98981	0.2
579.13599	2.7
580.13672	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75776	0.1
54.26439	0.1
59.01371	0.1
75.26165	0.2
79.95751	3.0
96.16839	0.1
96.96024	100.0
97.95982	0.3
98.19854	0.3
125.02457	0.2
140.10614	0.1
155.96381	0.1
189.07834	0.1
190.43298	0.1
195.24326	0.1
311.05774	0.2
313.07257	0.1
327.05124	0.2
339.05334	0.2
341.06818	0.2
369.06094	0.7
399.07214	0.7
411.07434	0.2
489.10330	0.2
519.11310	0.1
579.04608	0.2
579.13617	2.9
580.13867	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	8.1
59.01378	5.5
59.78115	2.7
69.66033	19.2
71.01376	5.6
85.02968	60.5
87.00926	3.4
87.24911	3.7
89.02432	5.5
96.96024	23.0
114.44405	3.5
147.03026	6.7
165.04178	3.0
167.44215	3.1
191.02031	19.5
201.48547	3.0
209.03047	100.0
217.04895	3.4
242.93130	3.0
371.06061	8.2
649.62177	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	677.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44546	1.6
59.01373	3.9
61.98828	1.8
67.15627	1.7
84.46862	1.7
97.77198	1.6
98.20685	3.8
130.23372	1.4
161.62910	1.5
269.87741	1.7
285.57855	1.5
287.51132	1.5
292.53763	1.5
293.21274	6.1
337.14386	2.0
338.14908	4.0
372.61795	1.5
409.82443	2.1
426.35834	1.6
437.12512	1.6
481.15286	18.1
482.14890	2.5
495.16815	4.4
540.16534	3.0
555.19116	25.8
556.19263	3.7
572.15448	6.0
627.21411	2.2
641.22662	31.5
642.22711	8.5
677.20251	100.0
678.20618	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65028	0.2
59.01390	1.9
61.98837	100.0
62.98542	0.2
70.09122	0.6
103.51062	0.2
121.33316	0.2
139.85916	0.2
143.72571	0.2
197.19118	0.2
255.23322	0.4
297.24295	0.3
315.25446	2.8
316.25842	0.5
354.16635	0.2
466.74973	0.2
613.50543	1.8
614.51678	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.7
57.03447	1.1
58.00607	2.0
59.01386	47.6
60.01718	0.4
61.98834	0.8
68.99815	0.6
69.03465	3.1
71.01390	42.7
72.01731	0.6
72.99316	3.2
73.02954	7.4
75.00896	1.3
78.95921	2.5
81.03468	2.4
83.01395	4.9
83.05032	0.9
84.02206	0.4
85.02959	10.3
85.03478	0.6
86.00122	0.4
87.00887	11.5
87.04501	0.5
89.02454	38.1
90.02783	0.5
91.04024	0.9
93.03483	0.3
95.01402	3.0
97.02970	6.7
99.00885	2.7
99.04543	0.5
101.02453	36.5
102.02791	0.8
103.00391	0.4
103.04002	0.5
109.02983	0.6
109.06596	0.3
111.00883	0.5
111.04524	1.2
112.01633	0.4
113.02464	17.1
115.04012	0.8
116.93961	0.3
119.03513	12.9
121.02988	1.0
123.00858	0.4
123.04519	0.3
124.01691	0.4
125.02457	15.3
126.02807	0.5
127.04018	0.8
127.07706	0.3
129.01894	0.3
131.03555	1.7
133.05063	0.7
137.02451	0.4
139.04021	1.1
141.01933	0.8
143.02428	0.6
143.03511	7.7
149.02432	0.3
149.04578	1.2
151.04048	0.3
152.99591	1.0
157.05096	0.4
159.03008	0.3
161.03267	0.5
161.04579	8.4
167.03502	1.1
169.05099	0.6
179.03888	0.3
179.05626	7.3
185.04544	0.8
199.06180	0.6
203.05594	0.3
217.07195	1.7
219.04953	0.3
221.06664	2.8
235.08237	15.8
236.08533	1.0
244.13695	0.3
245.06596	1.0
253.09320	3.7
259.20593	0.5
263.07745	1.8
275.20035	0.5
277.09601	1.3
277.21735	100.0
278.22061	9.1
287.07751	3.9
291.23291	0.6
305.08771	4.5
323.09802	1.9
361.11429	0.4
379.12341	1.2
397.13528	87.1
398.09091	0.4
398.13898	6.3
415.14594	39.0
416.14957	2.5
593.26892	0.3
675.35468	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	18.1
61.98824	10.0
69.86397	24.1
71.01386	9.7
83.05043	5.1
85.02966	5.6
89.02459	7.3
93.29447	4.1
96.96014	20.6
97.48105	4.7
109.06595	5.7
119.03528	5.3
134.06149	6.0
163.11310	7.0
165.12839	5.5
169.12364	8.7
171.10312	23.4
176.07162	7.8
183.13824	10.4
188.03574	15.2
197.11847	100.0
198.12221	9.6
207.10263	13.8
209.11865	93.2
210.12184	14.4
211.13425	16.1
214.01419	8.2
220.06154	16.2
225.11328	9.7
227.12930	25.6
235.08261	5.6
246.04063	14.2
253.09326	14.7
257.12991	6.6
313.95770	4.8
318.52939	5.2
342.14673	8.7
345.96323	4.8
372.19226	6.2
428.21790	22.7
537.67322	5.2
581.24274	7.7
615.29987	6.5
621.32813	12.7
625.22736	12.6
626.22845	4.8
639.33960	10.1
657.34668	5.9
675.32306	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55793	0.3
54.33160	0.2
55.01888	1.8
57.03454	1.1
58.00601	2.3
59.01388	50.9
60.01711	0.6
61.63823	0.2
68.99831	0.6
69.03463	2.7
71.01391	42.6
72.01732	0.3
72.99314	3.4
73.02956	8.2
75.00877	0.8
78.95911	1.7
81.03463	2.3
83.01394	4.9
83.05058	0.8
85.02961	9.5
86.00114	0.7
87.00341	0.5
87.00883	10.5
88.01252	0.3
89.02455	37.4
90.02786	0.5
91.04024	1.2
93.03491	0.4
93.70850	0.3
95.01396	3.5
95.05043	0.6
97.02967	8.3
97.03588	0.5
99.00886	2.8
99.04517	0.7
101.02456	33.4
102.02793	0.6
103.00420	0.5
109.02990	0.8
111.00899	0.6
111.04532	1.2
113.02464	16.6
115.04018	0.7
119.03513	12.5
121.02945	0.8
123.00940	0.3
124.01685	0.6
125.02464	14.1
126.02822	0.4
127.04041	0.6
127.07634	0.4
129.01917	0.3
131.03505	2.2
133.05067	1.0
137.02449	0.4
139.04070	0.9
141.01978	0.8
143.03514	6.5
144.03867	0.4
149.04565	1.4
152.99623	0.6
161.04564	7.6
167.03511	1.0
169.05066	0.9
171.03003	0.6
179.05634	7.1
179.07227	0.4
185.04619	1.0
199.06113	0.8
203.05573	0.6
217.07170	1.6
217.09135	0.2
219.05035	0.4
221.06706	3.0
229.98544	0.5
233.22672	0.5
235.08249	14.6
236.08482	0.5
240.34534	0.3
240.79868	0.3
245.06651	1.2
253.09322	3.8
254.09756	0.4
259.20581	0.4
263.07706	1.4
275.20184	0.4
277.09607	1.2
277.21741	100.0
278.22076	8.9
287.07828	3.3
291.23346	0.5
305.08813	3.7
323.09766	1.9
361.11404	0.9
379.12372	1.3
397.13535	82.8
398.09030	0.5
398.13852	6.6
415.14600	36.4
416.14874	2.5
456.18326	0.3
675.36261	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84577	2.6
59.01382	10.9
61.98821	3.4
70.37658	11.0
71.01385	4.4
78.95959	3.2
96.96015	9.6
101.02419	3.7
106.06585	3.4
108.04556	5.5
114.03487	3.6
116.05070	10.3
118.03094	3.0
118.06646	6.0
120.08220	8.9
121.02940	5.4
122.06187	5.4
124.07706	14.8
130.02994	3.3
132.04483	3.7
134.06134	35.8
135.04575	3.1
136.04099	3.3
142.02979	6.4
144.04567	16.6
145.07712	5.6
151.11279	7.5
152.07137	5.9
156.08197	8.1
158.09799	12.6
160.04088	12.8
162.05611	13.3
168.06650	8.2
169.12343	36.9
170.02420	8.6
171.10298	3.4
174.05650	12.9
176.07178	34.9
186.01993	6.6
188.03551	55.8
201.10310	25.4
202.05093	25.0
209.11850	11.5
210.12164	3.2
211.13441	40.5
212.13618	3.8
213.11444	5.2
214.01456	46.3
214.12395	6.5
220.06171	50.9
221.06529	4.3
227.12869	6.6
228.13683	3.0
228.71571	2.7
229.13451	3.0
239.11928	3.5
240.09038	3.7
243.11313	3.6
246.04077	54.1
247.04425	4.5
251.11925	5.5
253.09521	3.4
253.13391	7.6
254.13934	3.6
255.11389	6.4
255.15036	11.6
257.12982	36.7
258.13504	3.7
264.09109	4.0
279.11313	6.5
281.09354	4.6
297.12332	3.9
299.13947	7.8
306.12582	5.8
310.19403	6.0
315.13571	5.5
317.15024	9.9
323.10452	16.8
324.13571	6.9
336.17322	3.9
342.14697	25.9
349.19510	3.6
354.18347	4.9
372.19330	21.3
385.45639	3.5
392.19571	6.8
410.20996	8.9
428.16537	5.1
428.21896	100.0
429.22195	11.8
436.18832	5.6
454.19864	11.1
460.18796	5.5
537.25116	3.4
557.24390	12.8
581.24176	38.8
582.24438	4.6
599.25208	8.8
607.21783	5.9
625.23053	81.8
626.23419	15.0
643.24023	32.1
643.33514	46.7
644.24188	4.6
644.33606	7.6
657.25702	12.4
675.25604	4.4
675.35571	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	675.103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.2
60.29273	0.2
61.12025	0.2
71.53838	0.2
71.54211	0.3
79.95746	3.6
85.02972	0.2
96.96021	100.0
97.02979	0.2
97.95940	0.4
111.53780	0.2
125.02426	1.0
137.02467	0.2
161.02570	0.3
164.94870	0.2
209.89635	0.2
285.03726	0.2
289.07196	0.5
368.43869	0.2
407.07199	0.2
425.08917	0.5
451.09955	0.2
463.03622	0.2
529.93195	0.2
577.13495	0.2
577.26007	0.2
589.16187	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50354	0.5
54.30946	0.5
59.01393	1.0
65.00320	1.3
69.23763	4.6
69.24166	1.2
71.01405	0.5
82.84657	0.5
83.01372	0.9
98.19820	1.1
107.01401	2.1
124.05418	0.6
133.02971	13.4
140.68188	0.6
149.02394	3.0
151.00374	5.0
165.12869	2.4
168.49838	0.6
175.04002	3.9
180.47220	0.6
183.13901	10.6
184.14267	0.7
198.03210	0.6
199.04022	2.0
201.01967	1.3
207.13994	0.7
216.79121	0.5
217.05013	1.7
227.12892	21.9
228.13242	1.6
241.05136	1.0
285.04089	100.0
286.04489	7.4
389.18283	5.3
678.14642	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20741	0.1
57.03449	0.2
63.64403	0.1
71.54021	0.1
71.54423	0.2
72.87952	0.1
75.00879	0.1
79.48045	0.1
79.95744	3.7
85.02972	0.7
93.03400	0.2
96.96022	100.0
97.95940	0.3
98.95581	0.2
105.34211	0.1
109.02950	0.5
119.05032	0.3
123.04547	0.3
125.02451	1.8
137.02449	0.4
151.03952	0.1
161.02441	0.5
163.04031	0.2
165.01938	0.2
175.03984	0.3
177.01910	0.3
187.04025	0.2
191.01947	0.4
191.05576	0.2
245.08144	0.3
255.02904	0.3
255.34311	0.2
289.07083	1.2
407.07816	0.9
425.08936	1.0
426.09073	0.2
440.08682	0.1
451.10266	0.4
463.03543	0.2
466.06421	0.1
577.13922	0.7
593.15295	0.5
652.10748	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	673.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01889	0.8
57.03451	1.4
58.00601	1.1
59.01385	5.4
61.94555	0.8
61.98850	1.1
64.68858	0.8
65.90369	0.8
69.33215	7.3
71.01394	9.2
73.02948	1.2
76.50691	0.8
77.47621	0.8
83.01398	1.4
83.05019	1.8
85.02966	1.5
87.00895	2.1
89.02460	2.4
97.06541	0.9
101.02459	6.0
103.10900	0.9
109.06580	1.8
111.08170	2.0
113.02471	2.9
123.20965	0.8
125.02478	2.4
129.39168	0.9
139.04027	0.9
161.04558	1.2
163.11287	2.7
165.12872	14.7
171.10278	3.7
179.10695	0.8
181.12358	1.5
183.13927	100.0
184.14265	5.8
197.11748	1.6
199.09775	1.5
199.13390	3.2
201.11353	2.1
207.10268	3.5
209.11855	30.5
210.12161	2.9
211.13422	15.4
225.11246	4.5
227.12921	16.0
228.13176	1.8
235.08224	2.4
253.09410	4.5
288.88562	0.8
301.16653	1.2
358.13208	0.8
419.23907	0.9
443.19446	0.9
445.20630	1.9
463.21951	4.4
493.27921	1.7
511.29028	9.8
512.29749	1.8
517.65942	0.9
629.35272	5.1
630.35681	1.2
637.32794	1.6
655.32880	5.3
656.33801	2.0
673.34387	61.1
674.34625	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	673.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.4
58.00607	0.2
59.01387	2.2
71.01389	1.9
73.02941	0.3
76.39145	0.2
80.02700	1.0
81.03454	0.9
83.01390	0.3
83.05031	4.2
84.02175	0.7
85.02964	0.6
87.00866	0.3
89.02441	1.1
93.03441	0.4
95.01349	0.2
95.05025	0.7
97.06567	0.2
98.20659	0.6
101.02456	1.7
109.06636	0.2
113.02441	1.0
119.03495	0.3
125.06098	0.3
125.09723	0.4
135.08171	0.8
145.71013	0.2
147.11871	0.3
161.04538	0.7
163.11314	3.6
165.12836	2.0
171.10289	2.5
181.12387	0.6
191.10822	1.0
199.13434	0.4
209.11841	100.0
210.12172	6.3
221.11800	0.3
225.11307	0.3
227.12901	12.5
228.13278	0.7
235.08235	1.5
236.08772	0.2
247.13435	0.9
253.09309	5.4
254.10046	0.3
263.44998	0.2
366.65543	0.2
419.24472	0.3
437.25165	0.3
445.20685	0.5
463.22000	0.4
474.80692	0.2
611.31171	0.3
637.32245	0.8
655.33618	0.5
673.34351	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57233	0.2
59.01384	1.8
63.19300	0.2
71.01389	1.7
73.02943	0.4
80.02672	1.1
81.03466	1.3
83.01402	0.2
83.05038	4.2
84.02174	0.8
85.02958	0.5
89.02477	1.1
93.03460	0.2
95.05058	0.4
101.02449	1.8
113.02451	0.8
119.03495	0.3
121.04008	0.2
125.06077	0.4
127.43538	0.2
131.94614	0.2
135.08179	0.7
155.00569	0.2
161.04558	0.6
163.11298	3.6
164.11655	0.3
165.12845	2.0
171.10278	2.0
179.05624	0.4
181.12410	0.5
191.10818	0.6
209.11842	100.0
210.12198	6.4
227.12910	12.2
228.13234	1.0
235.08228	1.3
243.08603	0.2
247.13403	1.0
253.09296	5.4
265.14526	0.4
300.01828	0.2
308.46591	0.2
419.24417	0.4
426.06360	0.2
445.20859	0.7
522.65845	0.2
637.32452	0.8
645.14862	0.2
655.33527	0.3
673.34131	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56941	0.2
59.01392	2.1
70.84516	0.5
71.01395	1.8
73.02949	0.2
80.02684	0.9
81.03487	1.3
83.01382	0.4
83.05038	4.3
84.02175	0.9
85.02953	0.6
86.66045	0.2
87.00891	0.3
89.02458	1.6
93.03464	0.3
95.05029	0.6
97.06595	0.3
101.02451	1.6
113.02480	0.8
119.03546	0.3
125.06094	0.5
125.09751	0.4
135.08192	0.5
139.89432	0.2
145.05046	0.3
161.04543	0.6
163.11314	3.3
165.12872	2.1
169.69186	0.2
171.10303	2.4
181.12340	0.8
191.10796	0.9
192.16672	0.2
199.13342	0.3
209.11856	100.0
210.12193	6.5
227.12926	12.3
228.13271	0.8
235.08228	1.4
239.66127	0.3
247.13437	1.4
253.09322	5.3
264.00128	0.2
265.14423	0.4
375.21594	0.3
401.23392	0.3
445.20844	0.7
463.22403	0.2
611.31171	0.4
637.32123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
60.20052	0.1
61.98842	0.4
67.02717	0.1
71.01392	0.4
75.00874	0.2
79.95750	3.4
83.01418	0.2
85.02959	1.2
87.00883	0.2
89.02479	0.3
91.49270	0.1
96.96023	100.0
97.21421	0.2
97.95943	0.3
101.02435	0.2
102.63136	0.1
104.87307	0.1
113.02485	0.4
113.60027	0.1
123.00902	0.2
124.01677	0.2
125.02483	0.4
150.03293	0.2
154.97891	0.2
157.92210	0.2
167.03474	0.2
168.00642	0.2
191.02013	0.5
209.02972	0.2
223.10065	0.1
267.07178	0.4
283.04559	0.2
353.06845	0.3
473.78131	0.2
511.15927	0.3
575.14044	1.0
576.14362	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44316	1.0
69.73495	2.7
69.73908	3.2
71.01397	1.1
77.03995	1.1
77.22279	0.9
83.54752	1.0
85.02931	1.3
98.78336	0.9
109.02956	2.2
121.02988	1.6
125.02500	1.3
133.02957	11.6
149.02493	1.0
161.02426	1.7
163.00462	2.1
163.04027	2.4
165.01900	2.2
175.03984	2.1
177.01904	1.6
186.69389	1.0
191.03531	1.3
193.01416	1.8
199.04030	1.5
201.01973	1.1
213.05617	1.0
223.03136	1.1
224.92027	1.5
225.05737	1.0
284.03323	10.4
285.03983	7.0
297.04089	15.7
298.04846	9.1
299.05643	17.4
300.06091	1.3
306.00482	1.0
311.05640	2.6
327.05130	100.0
328.05466	8.3
339.05069	3.6
341.06833	1.2
357.06174	26.7
358.06552	2.3
369.06094	2.2
447.09341	82.6
448.09616	7.2
643.06982	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87576	1.1
57.03465	1.4
58.00594	2.3
59.01386	11.2
61.98839	5.4
71.01393	47.6
71.05037	1.6
71.53999	1.6
72.99300	1.2
73.02966	4.4
75.00883	1.5
78.95917	21.6
79.91817	1.2
80.02688	1.8
81.03468	2.7
83.01440	1.6
83.05050	4.3
85.02954	2.7
87.00896	3.5
89.02457	5.1
95.01408	1.3
95.05045	1.9
95.45320	1.2
96.96017	1.6
96.96941	2.1
97.02966	4.7
99.00925	3.2
101.02460	10.2
109.06614	8.7
110.03761	1.3
111.28187	1.3
113.02476	5.7
116.36395	1.2
119.03507	1.5
121.06618	1.5
125.02519	1.5
125.09734	4.4
127.11279	1.2
135.08234	1.4
145.05077	1.7
152.99638	10.3
155.10788	2.3
161.04640	3.4
161.09752	1.9
163.11261	9.4
165.12888	3.7
169.12437	1.3
171.10309	8.8
174.41057	1.2
181.12360	5.0
183.13919	11.8
185.11838	2.8
189.09244	1.4
191.10829	2.2
193.12331	3.4
199.09804	2.1
199.13411	21.5
201.11362	8.8
207.10294	32.1
208.10635	3.3
209.11867	68.1
210.12215	3.8
211.13423	100.0
212.13782	5.9
215.12906	2.2
225.11345	23.7
227.12929	62.0
228.13268	3.0
233.11942	1.6
235.08298	6.6
235.36452	1.3
245.14043	1.5
247.13409	2.6
249.15001	1.5
253.09283	14.3
254.09787	1.7
293.21304	1.9
295.22903	2.7
344.49002	1.8
350.62848	1.3
361.10806	1.8
377.10129	1.8
383.22348	1.7
391.25006	1.5
401.23450	6.9
419.24539	5.6
447.22131	2.3
461.20343	5.3
463.22043	8.4
637.32263	7.8
655.33276	12.2
656.33405	2.7
673.34216	25.0
674.22522	1.5
674.34216	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	672.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79060	1.0
69.48723	7.0
71.01389	2.3
75.00879	1.2
85.02953	2.9
94.08178	1.1
109.02929	1.9
125.02399	1.5
133.02934	5.0
158.71039	1.1
175.53178	1.0
177.01938	2.5
194.95251	0.9
228.17648	1.1
235.88646	1.2
254.12085	1.2
298.04776	6.4
299.05576	2.8
311.05557	4.2
312.06451	5.7
313.07172	6.5
323.05844	1.3
327.05130	3.6
339.05017	10.8
341.06699	4.2
353.06827	2.2
369.06168	34.2
369.10870	1.9
370.06500	3.3
381.06116	3.8
399.07184	24.2
400.07407	3.6
411.07202	3.3
429.08139	4.3
441.08221	2.2
465.08151	1.2
489.10318	14.4
490.11026	2.4
519.11151	2.9
609.14661	100.0
610.14923	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	671.3294
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
55.89105	0.5
57.03469	0.9
59.01388	9.2
59.01656	0.7
61.98864	0.4
64.31677	0.4
65.03973	0.6
68.31243	0.5
69.03491	0.7
71.01385	7.3
71.01724	0.5
71.05045	0.9
73.02980	1.3
78.95931	1.8
80.02708	1.1
81.03460	2.3
83.01424	1.3
83.05041	8.0
84.02204	1.3
85.02956	2.2
87.00916	1.5
89.02472	3.1
93.03478	1.0
95.01425	0.9
95.05071	1.5
96.32175	0.5
96.36707	0.4
96.96043	0.8
97.02966	6.1
97.06604	1.2
99.00872	3.2
101.02462	5.7
107.05050	0.9
109.06606	15.3
110.03794	1.3
113.02486	2.6
119.03568	0.8
121.03056	0.6
121.06583	1.1
125.02516	1.1
125.06133	0.8
125.09740	4.0
135.08162	3.5
135.95293	0.5
136.05298	0.9
137.18190	0.4
142.02783	1.3
143.03461	0.5
145.05101	1.1
145.10225	0.6
151.07698	0.7
152.99646	0.8
161.04604	1.9
161.09726	1.5
163.11311	15.0
164.11661	0.8
165.09247	0.8
165.12892	3.2
171.10297	4.8
177.12888	0.7
179.10757	0.9
181.12343	7.3
185.11804	2.3
189.09207	1.1
191.10765	1.0
197.11848	0.8
199.13469	1.4
201.11324	3.2
207.10286	54.9
208.10657	3.0
209.11852	100.0
210.12158	4.8
211.13310	0.8
221.11920	0.8
221.15515	0.6
223.09698	0.8
223.13448	1.8
225.11349	44.7
226.11682	3.7
227.12892	13.9
227.15134	0.6
228.13194	0.6
235.08255	3.0
235.13438	0.6
243.12445	3.0
245.11702	0.6
247.13431	0.8
249.11237	0.9
251.12935	1.0
253.09320	9.3
263.12878	1.6
265.14462	0.8
299.15024	0.6
311.23538	0.6
355.22650	1.0
373.23801	1.8
381.20694	0.6
389.23163	0.5
391.24988	0.5
399.21814	3.0
417.22806	4.0
418.22598	0.5
435.23730	0.8
443.19333	2.7
461.20325	11.7
462.20462	1.4
609.32245	0.7
627.29926	0.9
629.39191	0.7
635.21759	0.6
635.30823	7.1
636.30670	1.1
653.31848	16.8
654.32159	2.9
671.32526	24.2
672.32800	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	671.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
57.03461	0.6
59.01385	10.9
60.12018	0.5
66.20260	0.4
68.89625	0.4
69.03477	0.6
70.94586	0.7
70.94922	0.6
71.01392	5.7
71.05052	0.7
72.99329	0.9
73.02973	1.7
80.00285	0.4
80.02688	2.4
81.03458	3.2
83.01382	0.8
83.05036	6.9
84.02178	1.4
85.02965	1.7
85.92754	0.4
87.00898	1.2
88.55064	0.4
89.02457	3.8
89.74299	0.4
89.75108	0.5
93.03500	1.7
95.01421	0.7
95.05056	1.9
96.96031	1.0
97.02970	5.3
97.06633	1.5
99.00908	1.7
101.02456	6.1
102.77079	0.5
106.04227	0.7
107.05048	0.7
109.06602	19.4
110.03755	1.4
110.06973	0.5
111.00919	0.5
111.04529	1.2
113.02464	3.5
119.03545	0.6
121.06635	1.1
123.04571	0.5
123.08192	0.6
125.02465	0.7
125.06104	1.2
125.09748	3.2
135.08197	3.1
136.05296	0.8
142.02745	1.5
145.05113	0.7
145.10255	0.7
151.07678	0.8
161.04582	1.9
161.09767	1.9
163.11307	16.3
164.11653	0.9
165.09232	0.7
165.12877	2.6
171.10271	5.5
179.05667	0.7
179.10823	1.0
181.12338	4.2
185.11867	2.9
189.09238	1.4
191.10811	1.2
197.11890	0.6
199.13458	0.9
201.11337	1.7
205.08884	0.5
207.10278	55.4
208.10657	2.6
209.11847	100.0
210.12190	5.6
211.13356	0.9
217.12299	0.7
221.11787	0.7
223.13416	0.8
225.11337	33.6
226.11653	1.9
227.12892	13.0
228.13274	0.8
229.12204	0.7
231.10309	1.2
235.08293	3.9
235.13457	1.2
243.12444	1.1
245.11841	0.5
247.13419	1.3
249.11356	1.3
253.09305	10.5
263.12869	1.2
265.14560	0.9
267.00113	0.5
281.13855	0.7
289.48505	0.6
299.15094	1.2
355.22906	0.7
373.23856	0.9
389.23502	0.8
399.21896	5.5
400.22385	0.6
405.17899	0.8
407.24582	0.5
417.22885	6.5
418.23267	0.7
435.23926	1.3
443.19305	3.0
445.20987	0.6
461.20325	10.4
462.20712	1.2
485.20593	0.6
627.30103	0.5
635.30817	10.9
636.31049	2.0
653.31830	15.2
654.32300	3.2
671.32751	24.3
672.33234	4.4
699.62598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.5
70.80356	0.4
70.80702	0.6
71.01012	0.7
71.01386	8.6
73.02958	2.2
78.95908	0.4
83.01393	1.1
84.94571	0.3
85.02956	3.9
87.00926	0.7
89.02451	0.9
91.94400	0.3
93.03454	0.5
95.01411	0.8
96.64832	0.3
96.96058	0.3
97.02974	0.4
99.00900	1.2
99.04538	1.0
99.05218	0.3
101.02451	4.9
108.02203	1.7
109.02980	2.4
113.02458	3.9
119.05033	0.4
121.02997	2.1
121.06610	0.4
122.03754	100.0
123.04607	9.5
127.04045	0.3
135.04559	1.9
136.05232	0.5
137.02457	2.1
137.06058	1.6
143.03513	0.8
147.04530	1.6
148.05341	0.4
149.06058	0.7
150.03201	0.7
150.90681	0.4
152.01147	0.5
159.03044	1.6
161.04573	11.9
165.05591	6.3
167.03532	1.0
177.05565	2.1
191.03535	0.4
205.03476	0.4
243.39281	0.3
285.09805	4.6
286.10077	0.5
329.08801	56.1
330.09149	3.3
439.22931	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2683
Annotation	Kamalachalcone A
Peak:m/z	Relative Intensity
52.63564	5.0
52.88096	4.9
55.37208	5.0
56.09179	5.6
59.01381	24.9
62.72338	5.4
71.54453	12.9
78.95888	12.2
96.96027	92.0
114.93449	7.4
137.09267	5.6
138.29626	5.6
145.08960	5.7
152.99529	7.3
255.23419	9.8
355.34024	6.1
470.55072	6.5
518.69763	5.8
671.26947	100.0
671.49451	9.9
672.27246	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	671.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42928	1.1
57.03466	1.2
59.01388	8.2
61.98837	5.7
70.14647	1.1
71.01376	5.1
75.27276	1.5
78.95905	4.9
79.60059	1.1
81.03457	3.1
83.01381	1.6
83.05041	8.2
84.02154	1.9
85.02953	2.8
87.00892	3.1
89.02435	2.8
93.03460	2.3
95.05039	1.2
96.96017	4.1
97.02962	6.5
97.06660	1.2
99.00877	1.4
101.02479	5.6
104.47596	1.0
107.05051	1.7
109.06606	18.0
110.03672	1.6
111.04603	1.7
113.02431	2.4
119.05066	1.6
121.06595	1.4
125.09721	3.7
135.08167	2.4
136.05272	1.3
142.02678	1.2
142.94131	1.1
152.99561	2.5
161.04524	2.2
163.11295	18.4
165.12860	2.6
171.10275	7.3
181.12369	3.4
185.11855	2.3
189.09097	1.9
201.11320	4.5
207.10291	59.9
208.10634	2.6
209.11844	100.0
210.12137	5.1
211.13425	1.7
223.13298	1.3
225.11362	36.6
226.11626	2.5
227.12852	13.1
231.10271	1.7
235.08304	2.9
249.11121	1.7
251.12910	1.6
253.09264	10.2
255.23392	1.3
345.04834	1.2
399.21744	3.9
417.22739	5.0
435.23856	2.0
443.18915	4.6
461.20370	12.6
462.20786	1.3
635.30823	11.3
653.31866	14.9
654.32788	2.4
671.32813	32.4
672.32874	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	669.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.2
56.93532	0.4
57.03448	3.2
58.00595	1.1
59.01386	20.2
61.98838	2.8
67.77851	0.4
68.99829	0.5
69.03472	0.7
71.01391	24.4
71.54897	0.5
72.01727	0.5
72.99326	3.5
73.02956	7.3
74.03285	0.4
75.00880	2.5
78.04276	0.5
78.95908	1.4
83.01396	6.1
85.02961	17.2
86.00103	0.7
86.03304	0.8
87.00887	2.6
88.98801	1.7
89.02464	7.8
94.09171	0.5
95.01394	2.8
96.96012	1.7
97.02995	0.9
99.00893	4.0
101.02454	20.2
102.02803	0.6
111.00896	4.1
113.02461	9.3
119.03515	1.8
119.05009	0.7
125.02433	1.3
129.01936	1.9
137.02402	0.8
141.01915	0.6
143.03430	0.8
147.02991	0.5
150.06879	0.5
159.02963	1.5
161.04555	2.5
163.03957	1.0
191.02017	1.8
225.11349	0.5
254.09996	0.4
298.05042	0.5
299.25885	0.8
307.48511	0.5
345.30057	1.9
507.35406	10.4
508.35461	1.3
521.33600	0.7
565.32672	0.6
669.40723	100.0
670.41132	17.2
686.13647	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57425	0.9
57.03439	2.7
59.01382	13.0
67.01881	1.2
68.99828	2.0
69.03452	1.9
69.82059	1.4
69.82464	4.1
71.01389	15.9
72.99310	6.9
73.02960	1.7
73.93324	0.9
75.00877	16.8
81.03452	1.1
82.05138	0.8
85.02959	19.4
87.00874	5.1
89.02462	3.1
93.03474	2.1
95.01407	4.8
96.96008	3.6
99.00891	9.8
109.02946	1.3
111.00862	1.9
113.02463	16.1
115.00364	1.8
117.01975	1.8
121.02986	6.6
122.03764	6.0
123.04488	1.3
129.01945	2.3
133.02902	1.5
135.04504	2.5
137.02460	1.6
140.68593	1.0
146.03784	2.4
147.04497	1.0
149.02464	27.3
150.03249	49.8
151.04015	4.9
152.01241	1.2
163.04016	6.1
164.03535	1.4
164.04819	19.4
165.05588	41.8
166.05954	1.6
169.05023	1.0
175.00392	2.1
175.02478	2.3
176.01164	1.4
177.01889	1.1
178.06371	2.4
179.07173	11.2
180.04347	4.4
181.05049	3.4
190.02734	3.7
191.01907	1.2
191.03500	2.8
192.07993	1.0
193.01443	3.8
194.01913	0.9
195.06648	8.0
205.05128	5.5
207.02988	3.0
208.03815	6.7
209.04494	2.4
223.06158	16.6
231.05058	1.9
236.71576	0.9
249.06163	25.9
250.06583	1.4
260.93915	1.0
267.07297	5.9
267.36438	1.0
281.06619	2.1
282.07623	1.3
283.08286	1.8
297.09808	3.2
381.25812	1.0
411.12979	2.8
429.13553	1.1
439.08746	1.3
453.09863	0.9
454.11069	1.1
455.11771	2.5
471.11450	3.4
472.12128	12.0
473.12973	12.2
487.14676	1.6
489.79343	1.1
651.19324	3.0
669.20392	100.0
670.20660	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	669.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98904	0.3
57.03449	0.4
59.01385	2.3
61.98822	1.2
64.76949	0.3
65.00319	0.3
65.08851	0.3
68.14400	0.3
70.99804	0.8
71.01380	1.1
72.98183	0.3
73.02956	0.3
81.03471	4.0
83.01382	0.9
85.02985	0.7
89.02438	0.5
99.08199	0.8
101.02464	0.4
101.06077	0.8
107.01360	0.5
113.02425	0.5
123.08212	1.9
125.02479	5.1
125.06092	3.5
136.05289	0.6
141.09236	0.6
147.08194	0.7
149.02489	0.4
151.00381	1.1
152.01114	0.5
154.76471	0.3
165.09216	23.2
166.09587	1.4
171.10248	0.7
191.07190	1.4
207.10463	0.5
209.08209	100.0
210.08539	5.3
225.11366	0.8
233.08211	0.9
251.09328	0.5
253.09410	0.4
358.49124	0.3
372.03369	0.4
408.72928	0.3
423.16483	0.9
633.25537	27.6
634.26117	5.1
669.39636	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01432	1.1
59.01360	1.2
70.54520	1.2
78.95911	46.0
87.88640	1.3
94.93617	3.5
140.45464	1.6
149.00105	29.4
169.15454	1.2
194.98871	40.1
195.99071	1.5
205.15991	16.6
216.65231	1.2
251.12329	1.3
285.12549	5.1
355.16589	6.2
401.15585	100.0
402.15933	8.5
669.27924	72.0
670.28082	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	669.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.8
59.01384	4.5
59.34596	0.3
61.98829	0.3
69.03445	1.4
69.27222	2.6
71.01385	3.8
71.05030	0.5
73.02946	0.8
73.88103	0.3
78.95922	0.4
79.60693	0.3
80.02663	1.0
81.03461	1.5
83.04576	0.4
83.05037	4.7
84.02132	0.5
85.02971	1.0
85.67716	0.3
87.00879	0.9
88.42371	0.3
89.02462	2.2
93.03439	0.4
93.46410	0.3
95.05022	0.7
96.96009	0.4
97.02956	0.3
97.06587	0.4
101.02468	2.9
104.33439	0.2
109.06607	0.6
111.04585	0.3
111.08158	0.4
113.02442	1.6
119.03486	0.5
125.09768	0.8
135.08134	0.6
143.03575	0.3
145.05130	0.3
161.04578	1.2
161.13292	0.3
163.10027	0.5
163.11287	4.1
165.12801	1.8
167.10796	2.4
171.10263	2.8
177.12849	0.5
179.05609	0.6
179.10805	1.1
179.14413	2.2
181.12331	0.8
186.53380	0.3
191.10706	0.7
195.13914	6.7
196.14270	0.3
197.11916	0.4
205.12328	6.7
206.12646	0.3
207.10297	0.6
209.11838	100.0
210.12172	5.9
223.13406	72.2
224.13785	3.7
225.11263	0.9
227.12894	14.1
228.13329	0.6
235.08244	3.2
249.71434	0.3
253.09305	9.4
254.09708	0.5
258.39932	0.3
261.14948	2.3
308.74759	0.3
339.16013	0.6
397.23993	0.4
409.36490	0.3
441.20828	0.6
445.20831	1.0
459.22498	5.1
633.33148	0.8
651.33661	0.9
669.31525	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	669.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28188	1.0
57.03427	2.4
59.01392	12.1
68.89645	1.0
68.99820	2.2
69.03435	1.2
69.63501	5.7
71.01390	17.4
72.99303	6.2
73.02917	1.4
74.59742	1.0
75.00886	15.3
83.01372	1.5
85.02959	15.9
87.00877	4.6
89.02440	2.6
90.98908	1.0
93.03487	3.0
95.01408	4.0
99.00888	8.3
103.00315	1.1
111.00903	1.4
113.02473	14.2
115.00390	1.4
117.01968	1.9
121.02945	5.2
122.03769	5.2
123.04539	2.1
129.01958	1.7
134.03705	1.2
135.04565	1.9
141.79568	1.2
147.04501	1.9
149.02460	24.8
150.03242	37.8
151.04053	5.9
163.03987	3.3
164.04796	17.8
165.05585	35.8
175.00319	2.3
175.02455	2.4
176.01146	1.2
178.06340	1.6
179.07126	6.5
180.04288	3.0
181.05063	4.4
189.04027	1.1
190.02744	3.4
191.03529	1.3
193.01401	3.5
195.06572	6.2
205.05074	3.5
207.02977	1.3
208.03833	5.5
209.04567	2.0
223.06104	15.8
231.05005	1.8
246.98929	1.1
249.06166	27.0
267.07181	4.7
281.06750	1.3
282.07394	1.8
285.04129	1.2
286.71793	1.0
297.09775	3.3
335.03030	1.0
371.11279	1.5
411.13110	4.5
428.29254	1.1
429.14035	1.1
455.11807	2.0
471.11319	2.2
472.12372	9.3
473.12991	9.5
487.14383	1.4
511.84088	1.1
527.13995	2.0
548.07288	1.2
579.13635	2.4
644.98334	1.1
651.19025	3.8
669.20392	100.0
670.20801	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	667.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.2
60.08952	0.2
61.98831	0.3
69.74275	1.0
71.01383	1.8
83.01440	0.2
85.02977	0.3
87.00898	0.3
89.02464	0.8
101.02457	1.4
107.17851	0.2
113.02479	0.9
113.85720	0.2
119.03544	0.2
121.58818	0.2
125.09747	1.1
127.11302	2.1
137.26767	0.2
153.09248	0.8
161.04568	0.6
162.67494	0.2
171.10287	100.0
172.10617	4.5
235.08212	1.4
249.70644	0.2
253.09291	4.6
254.09457	0.3
261.67056	0.2
270.98355	0.2
277.21744	48.2
278.22061	3.9
407.19086	0.7
429.34567	0.2
437.45218	0.2
569.54993	0.2
655.48602	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.9
57.04308	0.9
59.01386	8.0
61.98820	1.9
69.03466	2.8
69.74557	5.6
71.01398	5.1
73.02974	1.6
75.00903	1.6
78.95918	2.3
79.01905	1.6
81.03463	1.5
83.05001	1.0
83.19734	0.9
85.02968	6.5
85.03387	0.9
87.00906	1.9
89.02454	1.7
92.84591	0.8
93.03437	1.8
95.01402	3.2
96.40648	0.9
96.96021	3.6
97.02972	1.6
98.19954	1.2
101.02451	2.6
101.41578	0.8
107.01417	2.2
108.02190	86.2
109.02980	28.4
113.02464	2.6
121.02984	1.5
123.00859	2.1
123.04532	2.3
125.02452	2.2
133.02950	1.0
135.00916	1.1
135.04529	2.4
145.02911	1.3
146.25522	1.0
148.05281	1.3
151.00455	1.5
152.01169	100.0
153.01965	51.4
154.02376	1.2
163.04042	1.6
165.01871	1.0
167.03488	1.5
171.04291	1.0
173.02431	1.6
174.03223	4.7
191.01997	1.3
191.03485	1.0
202.02705	2.1
203.03557	1.9
215.03500	1.1
217.05099	2.8
221.06186	1.6
222.07022	1.1
237.05544	2.3
249.05551	1.9
250.06328	1.9
251.07202	1.9
261.97440	1.2
263.07123	2.6
264.07928	1.2
265.05029	2.9
266.05878	1.5
267.06567	5.9
277.05008	2.6
278.05872	2.7
279.06650	5.2
279.09927	1.5
280.07443	1.3
282.08939	1.6
283.09796	1.1
289.04971	1.2
293.04675	3.4
293.07968	1.2
294.05344	3.3
294.08887	2.3
295.06009	1.7
297.06213	3.4
305.04599	2.4
306.05286	3.1
308.06769	4.5
309.07651	8.9
310.08115	1.8
315.07217	2.5
320.06934	2.7
321.07523	5.6
322.08041	1.9
323.05560	3.5
323.09250	7.4
324.06079	1.5
326.08005	2.0
335.09460	1.3
338.08060	3.5
339.08774	4.5
341.10449	1.2
342.25082	1.1
353.10376	5.8
359.03299	0.9
379.10031	1.0
393.48969	0.9
463.25473	1.6
468.11029	1.1
471.12735	2.0
481.88388	1.0
483.12988	5.3
493.30624	1.0
533.13147	9.1
534.13049	1.2
562.03448	1.0
619.14606	1.2
639.17273	39.8
640.17975	6.1
651.17261	48.8
652.17316	8.7
669.18304	72.3
669.36420	3.2
670.18640	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	667.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76665	0.6
55.01892	0.7
57.03448	2.0
59.01387	30.4
61.98830	1.4
65.12151	0.7
68.99822	0.8
69.03458	1.0
71.01019	1.3
71.01393	20.8
72.01767	0.6
72.99301	1.5
73.02953	3.8
75.00893	1.8
78.95905	0.9
83.01396	2.8
85.02959	10.1
87.00887	3.2
88.98791	0.8
89.02454	5.8
95.01418	1.7
96.96027	2.4
97.02955	1.4
99.00874	1.7
100.69243	0.7
101.02464	8.4
111.00888	1.6
113.02480	5.5
119.03520	2.5
124.01624	1.3
125.02473	2.4
129.01985	1.1
143.03511	1.4
161.04538	1.9
163.03989	1.5
173.00871	0.8
177.01979	0.8
191.02019	1.3
209.11778	0.9
211.20705	1.6
221.84772	0.7
229.64043	0.8
239.20164	1.6
246.48135	0.7
257.21228	15.3
258.21378	1.2
337.10880	2.5
345.96777	0.7
350.29871	0.7
401.25558	8.7
402.26053	1.3
419.26532	33.0
420.26926	3.9
425.25656	0.9
437.87347	0.8
443.26703	1.5
461.27621	100.0
462.27985	10.9
505.33780	3.2
607.36957	4.3
625.38239	2.8
657.89380	0.9
667.39392	15.8
668.39301	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63287	0.4
55.01883	3.6
57.03457	2.5
58.00592	0.5
59.01385	19.0
61.98851	0.9
69.03470	0.7
71.01388	23.4
72.99313	1.9
73.02949	8.4
73.08537	0.4
75.00863	1.1
83.01398	6.4
85.02957	15.3
85.25256	0.5
86.00099	0.7
87.00887	1.8
89.02451	6.3
90.04905	0.4
95.01389	2.2
96.96001	0.6
97.02951	0.5
98.19855	0.9
99.00904	3.6
101.02457	20.9
111.00894	5.3
111.82995	0.5
113.02457	9.4
119.03566	2.1
125.02418	0.9
125.09741	0.4
127.57492	0.4
129.01982	1.0
133.05090	1.0
141.01939	0.9
143.03580	0.8
159.02983	1.6
161.04564	2.1
179.05566	0.5
187.09807	0.4
191.01921	0.6
195.63628	0.4
219.15810	0.4
247.24303	0.5
313.27557	0.5
336.04556	0.4
343.28543	1.7
422.51361	0.5
429.35071	0.4
487.33066	0.5
491.28494	0.6
505.33844	14.9
506.33951	1.9
631.33527	0.5
649.37866	0.7
667.39191	100.0
668.39526	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	667.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59204	0.5
55.01872	2.1
57.03448	2.1
58.00589	1.6
59.01388	41.9
61.98823	1.5
69.03458	0.8
71.01390	36.8
71.55379	0.8
72.01743	1.0
72.99316	3.2
73.02955	7.6
74.54676	0.6
75.00883	1.3
83.01402	5.7
84.02171	0.6
85.02457	1.0
85.02961	15.4
86.00064	0.5
86.03247	0.5
87.00903	2.9
87.04475	0.5
88.83947	0.5
89.02451	18.0
95.01392	3.0
96.96024	2.4
97.02953	1.0
97.06622	0.4
99.00882	3.2
101.02458	30.1
111.00880	2.5
113.02462	14.9
119.03513	7.0
121.09479	0.5
124.01679	0.6
125.02443	2.3
125.09723	0.9
129.01942	1.7
131.03494	0.9
133.05161	0.7
142.00591	0.5
143.03525	1.9
159.02998	1.4
161.04585	3.0
163.03978	0.8
179.05629	1.8
185.11801	0.6
187.09779	1.1
188.10068	0.6
191.02013	0.7
201.42259	0.5
204.06705	0.5
209.11732	1.2
333.98199	0.5
336.41452	0.5
343.28537	1.2
445.31720	0.7
463.32852	1.2
464.33319	0.5
505.33890	15.0
506.34036	1.7
519.33618	0.7
607.36877	12.7
608.37665	1.6
625.38116	7.8
626.38519	1.8
635.31573	2.6
667.39227	100.0
668.39587	18.1
694.97681	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.2
69.12220	0.7
69.22962	3.8
69.23392	2.9
71.01392	1.1
85.02953	1.9
96.96013	1.1
99.30143	0.8
101.02450	0.7
101.77659	0.8
107.79795	0.7
110.20068	0.7
111.08202	1.1
115.98680	0.8
119.69881	0.7
165.12878	16.4
166.13145	0.9
167.33139	0.7
183.13927	86.0
184.14204	4.6
209.11739	1.1
227.12915	100.0
228.13271	5.4
242.68159	0.8
249.93440	0.7
267.69397	0.8
366.83374	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19846	2.5
59.01371	4.6
71.01382	6.0
78.44440	2.3
85.02952	18.3
91.85203	2.2
93.74574	2.4
96.96024	5.9
97.20851	2.4
113.02459	2.9
119.05046	78.7
125.02467	6.4
129.01961	7.3
135.04544	75.4
137.02396	2.8
163.04030	100.0
164.04364	3.7
167.03564	6.4
179.03517	84.8
191.01930	7.2
199.53055	2.3
248.82516	2.3
279.45325	2.7
325.09222	11.5
337.05746	2.7
341.08090	20.5
360.36099	3.0
428.14175	3.0
456.63120	2.6
495.44662	3.9
505.18903	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	667.283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	2.0
57.03446	3.9
59.01384	23.3
69.03458	2.5
69.38322	9.5
71.01386	23.8
72.99322	2.5
73.02952	5.2
75.00895	1.8
83.01392	4.1
85.02952	11.4
87.00891	7.1
88.98840	2.5
89.02451	14.2
93.03442	3.4
95.01386	1.9
96.96024	21.9
97.02969	4.0
99.00877	2.3
101.02460	13.2
111.08172	3.2
113.02460	10.8
119.03512	2.8
121.02956	1.4
122.06046	1.3
123.22371	1.2
125.02427	6.2
129.01918	1.9
133.05113	2.2
136.50584	1.3
137.02425	6.6
137.14703	1.0
143.03493	1.2
151.00354	1.3
156.89484	1.2
161.04547	3.2
163.04007	1.7
164.88278	1.1
165.11453	1.2
165.12848	23.1
167.03519	1.9
173.97408	1.1
179.05667	1.3
183.13918	61.8
184.14297	2.2
191.01933	1.4
209.11771	3.2
221.06786	1.4
227.12895	15.1
235.08098	2.8
243.83522	1.0
301.16412	1.7
353.10141	1.4
397.13712	6.3
443.70010	1.6
491.28027	3.2
505.34073	3.6
569.06964	2.4
587.25421	1.1
595.27716	1.3
607.26117	100.0
608.26495	15.8
623.33362	1.4
667.19757	1.3
667.39459	20.2
668.39215	2.0
697.22638	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22380	1.0
55.01884	1.4
57.03456	2.6
59.01387	21.6
69.03437	1.4
69.44915	6.7
71.01394	23.2
72.99321	2.4
73.02956	3.5
75.00862	2.7
75.89598	1.0
77.75611	1.2
78.95918	1.1
83.01392	3.6
83.05022	1.6
85.02975	10.3
87.00887	6.1
88.98820	2.6
89.02448	12.8
93.03472	3.8
95.01370	2.5
96.86508	1.1
96.96019	19.8
97.02946	3.7
99.00906	1.9
101.02472	12.3
111.00862	1.5
111.08116	1.4
113.02462	8.4
119.03531	2.2
119.04962	1.2
125.02473	8.6
133.05116	2.2
137.02477	4.1
143.03487	1.8
159.01427	1.0
161.04539	3.4
165.12862	16.3
175.02461	1.3
179.05553	2.4
181.12360	1.7
183.13925	51.9
184.14186	2.8
209.11957	2.4
210.12225	2.0
217.13382	1.2
227.12921	12.6
235.08290	2.6
236.86748	1.5
271.11188	1.4
308.15408	1.1
397.13602	7.1
445.21146	1.7
491.28384	2.2
505.33990	3.9
519.31696	1.2
569.07196	2.9
595.26721	1.2
607.26117	100.0
608.26331	13.0
667.21222	1.4
667.39459	20.4
668.39679	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	665.304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61231	1.6
55.01879	2.6
57.03442	4.0
58.00587	4.1
58.05775	1.7
59.01387	100.0
66.50238	1.8
69.36208	12.6
71.01388	56.5
72.99316	3.6
73.02952	12.8
75.00878	2.4
81.16450	1.8
83.01372	7.2
85.02964	26.1
87.00872	5.3
89.02455	42.2
95.01404	5.9
96.96017	6.1
98.20631	3.6
101.02446	30.0
106.11176	2.0
113.02459	38.5
119.03517	19.0
120.08250	1.5
125.02459	3.7
129.01952	2.3
143.03479	5.6
161.04576	11.2
176.26387	1.7
178.72130	1.8
179.05659	9.1
189.35263	1.8
201.11458	4.1
205.49805	1.7
209.11758	2.2
222.01405	1.7
256.34113	1.7
306.86432	1.9
321.14447	2.2
399.23819	3.2
417.25162	4.4
561.29254	66.4
562.29681	10.8
579.30298	58.0
579.39484	3.4
580.30920	8.6
580.39008	2.1
621.31470	9.1
633.24194	2.7
665.27429	13.9
665.37494	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15131	1.1
55.01882	2.3
57.03450	7.2
59.01389	34.8
61.98839	6.7
63.97073	1.1
69.03452	1.4
69.59321	3.4
69.59733	4.2
71.01392	25.5
72.99323	2.4
73.02961	7.0
75.00871	2.2
78.99126	1.1
80.02689	1.5
83.01389	6.6
83.05022	4.4
84.02220	1.2
85.02964	17.6
86.00100	1.2
87.00881	5.3
89.02464	5.7
95.01397	1.9
95.05054	2.3
96.96018	4.9
97.02995	1.5
97.06604	9.3
99.00874	2.8
101.02462	17.4
101.68059	1.2
111.00908	2.6
113.02465	13.5
119.03486	2.1
123.08167	8.9
124.01691	1.3
125.02455	6.2
125.09744	92.3
125.70770	1.3
126.10057	3.3
129.01901	2.0
143.03510	2.9
160.01436	1.1
161.04562	4.0
163.04007	1.4
163.11311	3.2
165.12903	2.2
167.03650	1.2
169.08682	2.2
187.09793	53.6
188.10126	3.0
191.01895	2.6
191.10866	1.6
206.11880	1.6
207.10254	1.6
209.11864	44.2
210.12135	3.3
227.12872	3.0
235.08163	1.6
253.09355	4.0
299.25848	3.2
310.18051	4.9
405.17715	4.5
417.24902	2.8
423.18759	11.4
424.18744	1.4
443.30063	2.3
459.25980	8.2
461.30881	4.7
471.02808	1.3
503.32114	2.3
605.35492	31.1
606.36023	4.3
615.30066	7.3
623.36511	25.3
624.36377	2.5
629.38861	2.7
633.31335	100.0
634.31659	18.2
665.37140	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	665.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89731	2.9
55.31727	2.4
57.03454	6.1
59.01398	18.0
60.86322	3.0
64.23273	2.4
65.69690	2.6
71.01385	7.9
71.54749	6.1
73.02940	3.5
76.27285	2.3
82.02977	6.6
83.01379	5.0
85.02959	10.1
87.61741	2.4
89.02451	4.3
94.02997	81.0
96.04546	3.6
96.96021	24.7
98.95609	5.0
101.02454	2.6
105.05853	3.0
107.03799	3.2
108.04572	5.3
109.02979	2.6
110.06145	16.7
111.43684	3.1
113.02450	8.7
113.50410	2.5
120.08203	42.3
121.02929	2.8
122.06132	28.4
125.02435	6.1
126.27714	2.7
133.02979	4.9
134.06100	3.5
136.04016	2.7
138.05623	36.3
139.05937	3.6
139.07671	15.4
144.04575	6.6
151.00435	5.1
152.07065	2.8
162.05649	3.4
164.07117	4.3
167.03459	4.4
173.04816	2.6
174.05618	8.9
176.13449	2.9
177.01895	4.4
179.10713	3.0
180.00879	2.8
183.42473	3.1
188.03545	2.8
191.02005	4.8
201.11194	2.6
203.05849	5.9
205.12375	5.2
209.08215	3.0
215.11946	6.9
223.08752	8.0
236.09602	8.2
237.10324	10.4
239.11736	4.0
250.11162	4.1
251.09235	6.0
251.11900	64.2
252.12361	8.5
253.09839	4.3
261.12512	5.2
263.08228	7.7
263.11978	6.7
264.09048	9.5
265.09900	4.8
265.13483	7.6
266.10706	5.5
267.11377	3.2
276.09329	5.3
277.09814	23.5
278.10590	11.5
279.11816	11.7
281.09262	3.4
283.10870	6.9
284.03265	38.1
285.04050	74.6
286.04367	7.6
291.11389	31.7
292.12247	31.3
293.10284	4.3
293.13025	34.8
294.13406	5.2
303.13370	3.3
313.11850	3.2
323.11130	5.1
324.11218	6.7
325.11789	4.9
335.10281	6.1
336.11044	13.7
337.11880	10.8
346.15665	3.2
348.17249	4.3
353.10141	3.2
355.13004	3.0
360.17227	11.7
362.18985	3.9
372.17310	24.7
374.18646	9.6
388.16705	4.2
390.18359	30.7
391.18631	4.4
400.16983	2.9
402.18228	6.7
406.17929	5.4
414.18393	16.0
418.17691	19.8
432.19302	17.8
436.18832	18.0
446.16846	3.8
458.17188	4.4
459.18121	9.1
469.22476	3.5
476.18085	22.0
477.19031	8.1
478.19794	5.4
487.23346	5.5
489.10446	3.7
490.19897	4.4
508.20950	58.6
509.21213	5.8
511.23785	4.5
529.24567	16.6
555.22632	4.8
571.25342	3.9
573.23547	29.7
574.24133	8.1
587.25189	11.8
597.23798	6.5
605.26215	100.0
606.26337	17.5
615.24512	28.5
616.24524	4.4
621.14655	68.0
622.15198	11.7
629.26294	7.2
633.25800	45.7
634.26208	9.1
647.27325	50.1
648.27759	10.0
665.28381	77.0
666.29193	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	665.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.8
70.15952	2.8
70.16306	4.5
71.01382	3.3
82.02992	5.5
85.02969	1.6
94.02995	74.9
95.05020	2.0
95.83724	1.5
96.04554	3.7
96.96021	17.0
98.20567	2.5
101.02488	1.9
105.05826	2.8
108.04551	5.1
110.06127	13.2
113.02431	2.2
118.27148	1.4
120.08208	57.1
121.08546	3.1
122.06141	19.5
136.04077	2.1
137.04854	2.8
138.05626	29.0
144.04562	11.2
150.05615	2.4
152.07201	2.8
160.04071	2.0
161.04855	1.8
162.05630	2.1
164.07199	5.8
172.07649	2.1
174.05615	8.0
185.64278	1.8
187.06447	1.7
200.07233	2.1
201.39214	1.7
203.05884	13.6
203.11868	2.0
213.10405	1.5
215.11946	6.8
222.07756	1.6
223.08748	3.2
225.10371	1.9
225.13849	2.1
236.09520	9.0
237.10381	9.3
238.10945	3.2
239.08301	1.8
239.11931	3.8
249.10373	4.8
249.14014	3.4
250.11032	6.3
251.11897	34.2
252.12546	3.9
254.10680	2.4
261.12369	3.1
263.08240	9.6
263.11972	8.6
264.08972	7.5
264.12445	2.2
265.09683	4.3
265.13464	8.8
266.10486	1.9
268.08423	3.0
269.09277	1.9
276.09042	7.4
277.09833	35.6
278.10495	12.0
279.11487	7.8
280.12219	2.8
281.09293	2.0
282.10098	3.4
283.11029	2.8
285.12152	2.1
291.11401	40.9
292.12152	52.3
293.10352	1.6
293.12973	39.6
294.10147	1.6
294.13458	4.9
295.10837	2.0
295.13925	1.7
296.08160	1.8
296.11615	1.9
301.12064	2.1
303.13626	4.2
313.11835	5.1
319.10843	4.1
324.11057	8.1
325.11844	3.9
332.14050	1.9
335.10422	15.2
336.11105	18.4
337.11884	12.0
343.13019	2.7
344.14114	2.3
346.15533	4.9
353.11163	1.8
358.15671	1.7
360.17294	9.4
372.17184	12.2
373.13791	2.1
374.14740	3.2
374.18814	5.8
386.14917	2.8
388.16629	4.8
389.17514	2.5
390.18088	6.2
402.18314	5.8
406.17715	2.1
411.28174	1.6
414.18362	13.8
415.18829	4.8
418.17953	9.6
432.19601	8.7
433.19611	3.3
436.18585	3.9
441.16962	2.3
446.16959	2.8
447.17993	2.8
450.20584	2.7
458.17200	6.7
459.18112	8.8
460.18329	1.9
476.18250	31.3
477.18945	15.1
478.19678	6.9
490.19955	12.9
508.20901	100.0
509.21362	14.5
511.23511	5.5
529.24597	11.4
553.24353	3.4
555.22400	4.9
571.25385	9.3
572.26031	2.4
573.23578	34.3
574.23767	7.3
575.25757	2.4
587.25366	11.9
597.23584	8.5
603.24377	3.2
605.26239	69.1
606.26556	10.3
615.24628	47.1
616.24634	7.5
617.26617	2.1
629.26147	9.1
633.25635	72.1
634.26111	14.6
635.26788	3.0
647.27246	39.4
648.27441	5.4
665.28265	51.0
666.29108	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	665.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02723	0.9
59.01389	8.2
60.59181	0.8
62.54024	1.0
71.01405	1.8
71.24401	1.9
74.93747	0.8
85.02958	2.7
85.06599	3.1
85.87784	0.8
89.02419	2.0
95.01824	1.0
96.95993	1.5
99.03688	0.8
101.02449	1.1
105.03522	0.8
109.02966	1.3
113.02496	1.0
113.06088	3.1
115.00341	1.2
117.03459	1.2
119.05068	0.9
121.02934	1.3
131.07162	23.6
132.07513	1.1
133.02974	10.4
135.04523	1.3
137.02502	0.9
149.02328	1.3
161.02466	1.7
162.88708	0.7
163.03998	3.2
165.01944	3.1
173.08180	10.4
175.02582	0.8
175.04013	3.3
177.01920	1.5
191.01929	1.1
191.03519	1.6
193.01402	1.3
195.06606	1.4
199.04050	1.7
201.01891	1.4
203.38885	0.8
213.05536	1.2
269.04736	1.0
271.06128	1.3
284.03281	8.4
285.04044	8.0
297.04083	15.4
298.04886	9.7
299.05661	17.8
309.04099	1.8
311.05466	2.0
327.05133	100.0
328.05487	8.6
339.05170	3.9
341.06723	1.4
353.06732	3.0
357.06195	26.3
358.06555	2.8
365.06744	1.7
369.06186	3.2
383.07690	1.0
393.06204	1.1
447.09366	88.0
448.09708	8.9
455.10120	1.5
473.10602	1.3
575.14008	3.7
665.16522	8.9
665.27319	1.0
666.17401	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.8
59.01386	4.8
62.87657	0.8
69.03454	0.9
69.59047	5.1
71.01395	3.1
73.02959	1.0
73.42360	0.7
81.03476	4.2
83.01383	4.1
83.05057	1.1
85.02961	2.9
89.72041	0.8
93.03494	1.0
95.01418	2.2
95.05035	2.3
96.96042	1.2
97.02962	2.6
99.04572	1.5
99.08173	1.1
99.46575	0.8
101.02419	1.1
101.06101	3.1
107.05044	1.2
109.02939	2.3
109.06623	0.9
111.04522	1.9
113.02477	2.7
121.02977	2.5
123.04535	4.3
123.08171	1.0
124.19044	0.9
125.02491	7.1
125.06082	8.8
135.04526	1.6
137.02470	3.2
137.06078	1.6
139.04028	6.5
149.02448	1.1
149.06119	1.2
151.04063	2.3
164.04803	0.9
165.01941	1.9
165.05539	1.2
165.09245	7.3
166.02724	0.9
167.03534	14.0
172.74405	0.7
175.03972	1.2
175.20897	0.9
177.09222	1.6
179.03563	1.9
179.10773	3.5
181.08693	3.7
195.10178	1.0
197.04579	3.3
203.10803	1.0
205.08742	2.1
207.06613	1.8
207.10347	2.3
209.04628	10.2
209.08217	11.9
219.06769	1.0
219.10258	1.6
221.08189	4.3
223.09671	1.0
227.05688	1.2
231.10269	1.3
233.08363	0.9
235.09831	2.5
239.05692	4.9
239.12946	2.0
247.09850	1.3
249.11368	1.2
251.09267	21.4
252.09521	1.5
263.09235	7.9
265.10828	1.7
269.06964	0.8
277.10959	2.4
281.10321	6.9
290.07965	0.9
293.10349	100.0
294.10767	7.0
305.10455	5.3
306.10709	0.9
307.11841	1.4
323.11383	77.0
324.11761	6.5
335.11258	4.2
353.12430	23.1
354.12827	2.5
362.77725	0.8
365.12463	1.3
377.12512	2.6
378.12741	1.0
395.13373	4.4
407.13388	1.3
413.14529	12.8
414.15027	1.4
425.14487	4.1
443.15756	2.0
527.17804	2.7
528.18091	0.8
545.18915	8.4
546.18970	1.3
555.42462	0.8
557.18713	1.0
571.97040	0.8
575.20215	2.0
647.22766	1.3
665.23102	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	665.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	0.9
57.03451	1.0
59.01381	4.5
62.21880	0.7
62.49894	0.9
65.65233	0.8
68.99817	1.0
69.03460	2.0
70.23306	3.5
71.01382	3.3
73.02926	0.9
75.00881	1.5
79.05463	0.9
81.03467	4.2
83.01395	6.5
85.02981	4.5
87.00880	0.9
89.02445	1.0
93.03456	1.3
95.01389	2.8
95.05035	3.6
96.96003	0.9
97.02957	4.8
98.20016	1.1
99.00876	1.3
99.08130	2.0
101.02434	1.0
101.06069	3.6
105.16873	0.8
107.01455	1.1
109.02958	2.4
111.04514	3.0
113.02457	3.8
116.92845	1.4
117.01875	0.9
119.05023	1.2
121.02931	2.2
123.04542	4.2
123.08186	1.5
125.02467	9.9
125.06079	10.0
135.04570	1.1
135.08203	1.1
136.05351	1.2
137.02454	2.8
137.06082	1.3
137.09703	1.1
139.04028	5.8
147.04471	1.2
149.02475	0.9
151.04033	2.1
155.03484	1.2
163.04056	2.4
164.04848	1.1
164.08371	0.9
165.02065	1.5
165.05521	0.9
165.09236	7.6
167.03529	15.3
177.09241	1.5
179.03510	1.4
179.10806	4.9
181.08673	3.0
191.01797	0.8
195.10301	1.0
197.04529	3.6
203.10817	1.7
205.08722	1.9
207.06650	1.9
207.10306	1.9
209.02757	1.1
209.04633	8.5
209.08206	14.6
221.04488	1.0
221.08186	4.5
221.11923	0.9
223.09705	1.3
225.15961	0.8
231.10266	1.3
233.07986	1.8
235.09760	2.4
239.05577	4.3
240.11626	0.9
247.09573	1.2
249.11336	1.1
251.09290	20.1
252.09621	1.1
263.09241	7.9
275.09363	1.0
277.10724	2.6
280.46780	0.9
281.10300	6.5
291.08893	1.0
293.10339	100.0
294.10706	7.8
305.10333	4.3
307.12009	0.9
317.10266	1.0
323.11374	78.6
324.11734	6.5
335.11371	3.4
353.12436	24.4
353.16830	1.0
354.12616	1.1
365.12418	1.4
377.12262	2.9
395.13440	4.8
407.13467	2.0
413.14493	11.8
414.14789	1.3
425.14450	3.9
443.15485	3.2
502.91623	0.9
527.17493	2.5
545.18872	8.7
546.18890	1.3
557.18597	2.3
575.20081	1.9
647.22040	2.2
665.23279	9.3
666.24707	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	6.7
61.98837	100.0
67.74909	0.6
68.84184	0.5
71.33652	0.9
101.06119	1.8
109.65764	0.5
227.20142	0.6
275.74649	0.5
287.22336	1.3
303.21820	0.6
314.20251	0.6
315.25571	0.7
329.23477	1.5
331.24811	1.1
539.39130	0.8
545.61621	0.5
583.46259	2.2
601.46899	15.8
602.47223	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	664.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.5
61.98837	100.0
69.03440	0.2
71.40845	0.5
72.83234	0.2
73.80771	0.2
84.14886	0.2
101.06112	0.7
137.50911	0.2
255.23325	0.3
285.20834	1.0
287.22318	0.9
288.22476	0.2
303.21866	1.0
313.23993	0.4
315.25424	2.6
316.25656	0.3
331.24716	1.2
342.67889	0.3
345.22900	1.2
380.34158	0.3
396.54681	0.3
446.67096	0.3
583.45941	2.0
601.46887	9.0
602.47272	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	663.268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	14.7
61.69666	1.2
61.98820	1.6
68.99836	1.3
71.00867	1.4
71.01390	7.6
73.02958	1.3
75.78873	1.2
77.02937	1.2
78.24655	1.2
82.95890	1.2
83.01385	2.0
83.05019	2.4
85.02958	3.7
89.02425	3.4
92.48729	1.0
94.02969	1.9
94.06632	1.5
96.96019	6.7
98.02479	3.2
101.02458	2.9
104.45890	1.0
108.04583	2.5
109.02953	1.2
110.02498	8.6
110.06118	6.0
111.04550	11.0
113.02460	2.6
120.08213	9.1
121.05316	1.9
121.85639	1.1
122.06143	9.6
124.04073	1.6
130.06647	1.8
136.04051	4.5
138.01976	1.8
138.05637	3.1
144.04561	1.7
147.05670	2.7
150.05641	6.0
151.02699	1.1
152.03557	9.8
154.05132	2.8
160.04137	1.5
161.04807	1.4
162.05688	2.1
168.06667	2.5
174.05600	8.8
175.05223	1.3
187.06320	1.6
197.07378	1.4
200.18817	1.3
201.10320	9.5
203.05858	3.4
213.10323	4.4
225.10217	1.4
227.11909	5.0
229.09846	11.5
229.13412	4.8
236.09410	1.6
237.10301	4.2
239.11903	2.9
241.09854	1.8
251.11719	2.4
255.11400	10.0
257.09201	1.8
257.12921	3.7
265.09668	1.4
267.07614	1.7
267.11249	1.9
273.12402	4.7
277.09683	1.6
279.11295	2.8
282.09927	2.3
283.10883	4.3
293.12756	2.4
301.08603	1.1
301.11957	29.3
302.12207	2.3
309.12396	1.4
311.10538	8.2
312.11050	3.2
313.11942	3.5
317.11508	1.8
319.13037	35.9
320.13397	2.5
325.11591	1.3
330.12323	2.1
341.11920	1.3
343.13220	6.2
343.16592	1.2
344.13840	1.4
346.15469	2.2
358.15594	2.5
360.17313	1.4
361.17932	1.8
370.11765	2.0
370.15833	2.3
371.12454	1.5
372.13422	2.2
376.16550	3.6
386.15237	8.7
387.15591	2.9
388.16623	3.1
397.14224	1.3
400.12759	2.0
404.16168	1.9
406.17566	1.6
413.13644	1.4
414.14520	9.8
419.14877	1.5
428.16071	5.1
429.16846	3.7
432.15506	2.7
446.17178	3.1
447.17792	1.6
457.23837	1.8
519.26453	1.5
525.25525	1.6
527.22980	5.1
539.23047	1.4
545.24133	8.3
546.24652	1.6
551.22614	2.9
557.23755	1.3
569.24030	12.7
570.24438	2.4
587.25061	18.8
588.25592	2.8
590.23755	2.5
613.23083	7.5
614.23444	1.4
619.27759	2.2
631.24091	22.1
632.24390	3.0
645.25787	6.5
645.35803	1.3
663.26654	100.0
664.26965	21.2
664.37238	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75739	0.7
59.01116	1.1
59.01393	13.4
68.99807	0.9
70.36056	1.7
71.01395	3.5
71.41183	0.7
73.02943	1.0
78.95925	0.8
79.07366	0.8
81.03446	0.9
83.05034	0.9
85.02972	2.0
87.29336	0.7
89.02449	2.6
94.02981	3.5
94.06621	1.5
96.04568	0.9
96.96017	1.7
98.20026	1.2
99.00918	1.0
100.51353	0.8
101.02464	2.2
105.76916	0.9
106.06644	1.3
108.04573	2.8
110.06104	5.1
112.14924	0.7
113.02455	1.4
119.03632	0.9
120.04510	0.8
120.08219	1.4
121.05363	2.0
122.06136	13.0
123.03242	1.1
124.04048	3.3
130.06702	1.2
132.04601	0.9
136.04073	5.2
137.04796	2.2
138.05637	4.9
144.04559	3.0
147.05678	2.6
147.27672	0.8
150.05650	6.3
150.60719	0.7
158.09764	1.2
161.03598	1.1
161.04808	2.7
162.05574	1.3
168.06793	1.7
173.04756	0.9
174.05602	4.9
175.05109	2.8
176.05986	1.0
184.11374	0.9
184.53458	0.8
186.12836	1.4
187.06328	0.9
188.03497	0.9
192.06717	0.9
199.08643	1.1
201.10342	19.1
202.10686	1.6
203.05902	2.9
211.08784	1.4
213.10361	7.7
215.11911	2.9
217.09842	1.3
225.10345	1.5
227.08258	1.3
227.11902	5.4
228.12666	1.0
229.09856	19.0
229.13405	8.2
231.05058	1.0
235.08820	1.0
236.09575	1.3
237.10313	1.8
239.11925	9.6
241.09821	3.2
243.11330	1.1
245.13031	2.0
247.10852	3.3
251.12111	1.1
255.11353	4.5
257.12933	5.5
263.12003	0.9
267.11432	2.8
271.11041	0.9
273.09766	0.8
273.12518	4.8
275.14105	1.4
282.10233	0.8
283.10876	5.1
287.10486	0.8
289.12033	6.9
291.11542	1.5
293.12976	0.9
301.11954	25.9
302.12360	2.9
309.12558	1.5
311.10287	2.3
313.12067	1.3
316.10538	1.3
319.13013	100.0
320.13385	8.3
325.12000	1.2
327.13391	4.2
328.11032	1.3
329.11667	1.2
330.12671	1.0
342.12598	1.7
343.13135	4.5
344.10358	0.9
344.14108	1.9
346.15613	1.6
356.14056	1.1
357.11160	1.1
357.15088	1.1
358.15762	2.1
359.12845	2.3
360.13361	1.0
370.15704	2.1
371.12701	1.1
372.13309	4.2
372.17477	1.0
373.14536	0.9
376.16693	1.3
377.13672	1.3
384.17398	1.0
386.15213	7.3
387.16019	1.6
388.16733	4.2
390.14548	1.8
391.15308	1.2
400.16696	3.2
403.15292	2.8
404.16022	9.8
405.16983	4.1
406.17584	2.3
414.14633	2.5
416.15915	1.3
418.14117	2.1
419.14798	2.8
428.16238	2.9
429.16983	1.9
432.15524	5.0
433.15948	1.1
437.15771	4.7
446.17242	5.4
447.17844	2.4
450.16748	1.3
497.21957	0.8
509.21985	2.0
515.22974	1.9
519.26392	2.3
527.23065	6.9
528.23419	1.5
539.22870	1.2
545.24121	19.0
545.32104	1.5
546.24463	2.5
547.90460	0.8
551.22961	2.4
552.23828	1.4
553.20715	1.1
557.24005	2.2
563.24939	0.9
569.24048	13.7
570.24213	2.6
571.22534	1.6
587.25153	60.2
588.25549	10.5
590.23578	3.5
591.24554	2.0
601.22961	1.6
613.23224	7.5
619.38348	1.3
631.24139	74.8
632.24365	13.9
633.26447	1.1
645.25830	5.7
663.26776	44.7
664.27051	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	663.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79511	1.2
59.01162	1.1
59.01389	12.6
61.98820	1.3
66.02570	1.0
70.09113	3.5
71.01407	5.0
71.38316	1.0
73.02945	1.5
74.05348	1.0
81.03448	1.2
83.01392	1.1
83.05035	1.5
83.19373	0.9
85.02958	3.5
88.98849	1.1
89.02454	4.0
90.95472	1.0
94.02985	1.9
96.59138	1.0
96.96014	4.2
98.02485	3.8
98.19935	1.0
99.04567	1.0
101.02441	2.9
104.19110	0.9
106.06615	1.8
108.04572	2.3
110.02480	9.1
110.06136	6.8
111.04538	11.5
113.02471	3.0
115.75600	1.0
119.03509	1.0
120.08201	8.9
121.05391	1.6
122.06120	10.2
124.04040	2.2
125.02428	1.3
126.05663	1.1
130.06654	1.3
132.04640	1.2
136.04041	4.0
137.04884	1.6
138.05629	3.5
144.04536	2.2
147.05635	2.4
150.05634	7.5
152.03534	8.1
154.05089	3.2
160.04028	1.7
161.04706	2.8
162.05627	2.3
168.06628	2.6
169.98706	1.2
171.10280	1.1
173.04774	2.1
174.05617	7.7
175.05128	2.5
188.07278	2.3
189.10213	1.2
201.10254	8.5
203.05875	4.3
211.08777	1.8
213.10316	4.8
227.11948	3.1
229.09837	14.7
229.13451	4.8
237.10341	3.3
239.11894	1.5
241.09927	1.7
251.11862	2.3
253.09869	1.5
253.13550	1.4
255.11411	9.3
257.09366	1.5
257.12970	3.1
267.07529	1.5
267.11380	1.5
271.11066	1.3
273.12442	3.9
278.10605	2.0
279.11285	2.1
281.09442	1.8
283.10999	5.5
291.11255	1.6
293.13000	4.5
301.11978	28.0
302.12375	1.8
309.12476	1.6
311.10492	8.8
312.11148	3.1
313.12042	5.0
317.11459	1.4
319.13007	32.6
320.13510	3.8
325.12054	1.3
342.12454	1.8
343.13019	5.8
345.14786	1.1
346.15497	1.7
358.15646	2.1
360.16980	1.3
372.13403	1.5
373.13562	1.3
376.16687	3.5
386.15033	7.9
387.15823	2.5
388.16922	2.3
398.11313	1.2
400.12622	1.3
404.16000	1.2
405.16858	1.5
413.13541	1.3
414.14563	9.9
419.14746	1.4
428.16129	3.7
429.16769	2.4
432.15460	2.3
434.20844	1.6
444.16190	1.2
446.17154	3.6
478.19458	1.1
501.24573	1.4
519.25549	1.3
525.24719	1.3
527.23242	6.4
543.25879	2.0
545.24121	10.5
546.24042	2.1
551.22864	3.1
569.24152	16.6
570.24506	2.3
587.25220	20.8
588.25464	2.4
589.23059	1.8
590.23438	1.1
613.22955	6.8
614.22772	1.3
619.27441	1.2
631.24158	26.6
632.24426	3.9
645.25739	5.2
663.26727	100.0
664.27161	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	3.8
63.02402	0.9
65.00331	9.6
65.03973	1.6
66.00686	0.7
68.53686	0.8
68.99807	1.1
69.65306	1.7
69.65717	2.9
70.42688	0.7
70.98506	0.7
83.01396	2.2
84.63039	0.7
91.01906	20.0
93.03468	3.2
98.20713	0.8
107.05032	2.3
108.02187	1.5
109.02959	2.4
109.06593	3.9
117.03473	1.6
119.05046	49.7
120.05388	1.8
121.02978	5.0
122.03719	2.3
124.01676	5.9
125.02449	2.4
125.09716	2.3
131.08698	0.8
132.05852	12.2
133.06618	15.4
135.00911	27.2
142.74503	0.7
143.05084	1.3
145.02982	1.7
149.99609	0.9
151.00406	1.2
151.04041	4.6
151.07655	5.3
153.01968	15.6
157.06609	1.8
159.04538	1.4
159.08188	3.8
164.04825	9.9
166.02614	1.0
171.04524	1.0
175.07680	6.6
176.01218	4.4
177.01862	1.9
177.09238	3.2
185.06125	0.7
187.04070	1.5
187.11304	42.6
188.11655	2.2
189.01932	0.8
191.07150	1.2
193.08742	18.3
194.09009	0.8
201.05643	1.1
203.07167	15.1
213.09192	1.9
219.06644	47.3
220.07068	2.4
221.08203	26.8
222.08516	1.5
227.07156	0.8
233.08177	3.1
235.09737	1.5
236.08377	1.1
237.09271	3.3
245.08273	1.4
253.12326	0.8
255.06587	8.3
263.07114	0.8
282.16873	0.8
291.13947	3.3
295.13461	1.2
301.40286	0.8
319.13348	3.0
320.13611	0.9
323.12924	50.9
324.13159	3.8
335.12952	2.3
337.10846	0.9
337.14539	0.8
339.12405	100.0
340.12711	8.0
361.59372	0.9
363.12454	3.4
407.18634	13.3
408.19058	1.9
419.81998	0.7
435.18317	2.1
441.17178	2.5
509.22849	1.1
511.21249	2.6
541.22430	5.2
542.22797	1.4
625.07532	0.8
663.25653	5.0
664.25891	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.2
61.98816	1.3
71.01383	3.6
71.02110	2.8
73.75491	1.4
80.05038	1.4
81.03428	1.2
85.02944	3.5
86.45705	1.5
89.02412	1.2
94.02993	3.6
96.96008	6.9
98.02478	4.0
100.35499	1.2
101.02450	1.8
103.09515	1.3
108.04523	1.4
110.02469	9.5
110.06123	6.9
111.04534	12.3
113.02406	1.3
120.08202	8.8
122.06123	8.3
122.12154	1.3
124.04088	2.1
125.02484	1.8
125.50928	1.2
136.04039	3.7
138.05580	2.9
147.05664	1.4
150.05603	5.2
152.03593	7.4
154.05162	2.0
155.10745	2.0
168.06705	3.1
173.04890	1.6
174.05606	9.1
175.05121	1.5
199.09837	2.2
201.10199	6.2
203.05911	2.2
213.10284	4.6
227.11917	5.0
229.09813	10.5
229.13486	4.6
235.08324	1.5
237.10327	3.1
239.11813	2.4
255.11409	6.4
257.13104	3.0
267.11340	2.6
273.12411	3.1
279.11487	2.9
281.09445	1.9
283.10809	3.6
293.12939	2.3
295.10916	1.8
301.11926	22.1
302.12479	1.7
311.10394	7.6
312.11166	2.0
313.11832	3.3
317.11694	1.8
319.13031	31.1
320.13324	3.9
325.11948	2.1
342.12097	1.8
343.13129	3.9
344.13797	2.2
358.15518	1.8
372.13443	2.0
376.16708	2.7
386.15103	5.5
387.15582	2.3
388.16617	3.3
400.17023	2.0
404.16025	2.7
412.16696	1.7
414.14456	10.6
428.16132	5.0
429.16220	1.7
432.15591	3.1
446.17197	4.2
457.78040	1.3
491.16660	1.3
527.23053	4.4
543.26239	3.1
545.24158	11.3
551.23138	1.7
569.24207	11.7
570.24109	2.3
587.25146	22.1
588.25574	2.7
590.23517	1.6
613.22998	5.0
619.27966	2.2
631.24121	26.8
633.15753	1.5
645.26007	4.8
663.26697	100.0
664.27258	17.4
674.59753	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.9
61.98846	0.8
63.02402	3.0
63.40668	0.9
65.00334	15.4
65.03967	0.8
65.30317	0.7
70.09468	2.3
70.09821	1.6
78.95925	1.1
83.01406	7.0
91.01328	1.2
91.01905	20.8
96.35664	1.1
96.96010	1.0
104.29309	0.8
107.01407	19.3
109.02969	1.9
119.05045	2.9
125.02465	23.3
127.14874	0.9
132.05826	22.6
135.00905	25.9
151.00386	71.0
151.04030	3.0
152.00720	1.9
153.01967	14.5
161.09734	2.0
164.04810	14.8
165.01947	1.1
165.05136	1.0
167.03537	2.3
167.96112	0.8
169.01411	1.7
177.01952	2.6
185.09790	1.0
187.11304	80.1
188.11658	4.3
199.03958	0.9
213.09233	1.7
233.11588	1.1
254.85678	2.5
255.10197	1.9
323.12909	52.8
324.13275	4.7
339.12390	100.0
340.12701	9.6
407.18616	1.1
434.42657	0.9
447.59671	0.9
511.21051	2.0
538.06494	0.9
555.99554	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14726	1.5
56.60585	1.6
59.01391	6.0
61.98827	3.8
69.42126	1.4
71.08382	1.8
71.08705	2.1
72.04498	1.4
73.72449	1.5
85.02956	2.5
91.01900	23.3
96.96043	5.0
102.43440	1.5
106.04221	1.7
108.51881	1.4
117.03456	2.9
119.05041	87.5
120.05379	2.2
125.02475	2.2
130.04271	2.9
132.05844	22.3
135.00893	38.9
145.02945	2.6
145.06628	5.9
147.08151	1.9
153.01942	19.0
164.04819	13.6
175.07671	3.5
187.11308	66.5
188.11653	3.1
189.05569	4.4
194.18204	1.9
201.11353	2.8
207.06628	3.3
219.06639	30.9
220.07066	2.0
221.91942	1.7
233.11458	2.3
237.07768	10.2
255.06787	3.7
309.11563	1.9
323.12924	70.1
324.13245	7.9
331.41266	1.7
339.12411	100.0
340.12634	9.4
407.18753	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	661.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67110	0.7
54.68776	0.8
59.01384	2.7
78.95927	2.9
82.98196	0.7
91.01905	20.1
96.73657	0.8
119.05042	33.5
120.05402	0.8
132.05833	24.2
132.06812	1.9
135.00903	26.3
136.01195	0.8
150.88115	0.8
152.99638	0.9
153.01956	15.7
159.08162	3.5
164.04817	15.1
187.11308	76.7
188.11600	5.1
200.85446	0.8
203.07153	9.7
221.08217	5.8
267.06619	1.4
269.08279	1.2
279.06592	1.7
301.52734	0.9
323.12915	100.0
324.13245	9.3
337.14481	28.0
338.14871	1.6
391.19116	7.5
392.19693	1.1
416.98853	0.9
486.43213	0.9
661.49695	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59004	1.3
57.03007	1.5
59.01387	10.4
61.61665	1.5
61.98828	2.4
62.49719	1.5
69.44926	9.3
71.01409	3.8
85.02958	6.7
94.06630	1.8
96.96026	27.5
98.19928	2.4
106.06668	2.5
107.03690	1.7
110.06136	6.1
110.32471	1.3
119.05000	2.1
120.04524	2.4
120.08184	1.7
120.88432	1.4
122.06139	34.3
125.02451	2.0
134.06177	8.0
136.07669	2.6
144.04553	2.3
146.06181	2.6
160.06413	4.1
161.04707	2.4
174.05577	5.5
180.06660	5.4
186.05611	2.0
188.03465	2.2
188.07224	2.4
203.05862	1.9
213.10371	19.1
215.11798	2.2
223.08672	2.4
225.10318	2.6
226.11102	2.4
227.11902	1.8
237.10495	3.7
239.11932	20.9
240.12285	1.9
241.13487	17.8
251.08221	3.2
251.11855	6.0
255.02953	8.4
263.08237	4.5
263.11826	2.7
264.09003	8.5
265.09830	8.0
266.10461	2.0
267.11340	3.4
277.09805	3.6
278.10477	3.0
279.08246	3.0
279.11310	14.6
280.12204	3.7
281.12833	2.8
283.02487	12.1
284.03162	5.6
285.04126	3.1
285.12479	46.4
286.12842	4.2
291.08017	2.9
291.11377	8.7
292.08551	12.7
293.09259	8.1
293.12915	7.0
301.11871	3.4
305.09369	2.1
306.10098	3.5
307.10919	40.6
308.11642	16.0
311.10294	5.7
320.09106	2.6
322.13519	1.7
339.13235	2.3
340.10687	4.4
343.13104	4.2
350.09070	10.5
351.09860	30.6
352.10461	5.1
354.16159	1.9
356.14035	3.9
357.14743	1.9
365.11255	3.0
370.15622	11.0
371.16086	2.4
372.17239	3.8
383.12457	2.3
387.15988	2.2
398.15176	11.7
403.15280	3.6
412.16470	7.4
413.17230	7.2
418.17899	2.5
430.17688	10.2
433.16391	2.1
446.08426	2.7
447.17926	3.4
448.18787	4.9
456.15759	3.2
462.20358	3.1
474.16681	6.8
479.84641	1.8
491.16986	3.9
492.17764	14.3
506.19409	25.6
507.19604	2.3
511.23425	5.2
512.23523	1.7
520.20782	3.0
523.23694	1.9
524.20264	4.0
535.23694	17.2
538.22015	52.0
539.22333	8.3
553.24622	51.5
554.24835	7.0
556.22821	1.9
567.26270	2.5
579.22443	4.4
585.27124	8.5
586.27612	2.2
597.23663	46.5
598.24109	8.2
611.24933	6.0
617.28412	2.2
625.15265	1.9
629.26276	100.0
630.26611	11.5
643.27399	2.6
661.28815	36.4
662.28845	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	661.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.9
57.03452	4.9
58.00599	1.7
59.01389	32.5
60.52087	1.4
67.01878	1.2
68.99825	2.5
69.03465	3.7
71.01392	46.8
72.46892	1.2
72.99319	10.0
73.02960	3.2
75.00886	39.1
79.95765	1.2
83.01396	2.3
83.05064	2.2
85.02963	41.1
87.00891	16.8
89.02458	13.5
89.60091	1.2
93.03497	1.6
95.01399	10.6
96.96023	15.1
98.33516	1.2
99.00898	35.7
101.02452	3.9
103.00387	4.6
109.02971	3.3
111.00910	3.3
112.01674	2.0
113.02473	53.9
114.02820	2.1
115.00404	2.5
117.01973	5.5
119.03519	2.6
123.44392	1.3
125.02484	2.7
129.01958	4.1
131.03484	1.4
137.02452	1.7
153.01915	3.1
154.99939	1.5
157.01457	9.2
161.13387	47.1
162.13684	2.6
165.01955	2.1
175.02531	4.0
187.11331	14.2
192.16039	1.5
205.07204	11.9
205.12367	43.2
206.07555	1.3
206.12714	2.7
207.05084	1.9
231.05145	4.0
233.11925	1.5
234.54762	1.3
249.06178	49.0
250.06485	3.4
251.54175	1.3
267.07239	100.0
268.07614	4.4
283.06113	3.2
297.07767	2.2
311.05536	1.9
351.05096	2.0
353.06775	5.3
369.06003	2.9
375.38293	1.3
383.07245	1.4
393.19290	2.9
437.18170	14.0
438.18329	2.5
455.19305	61.2
456.19855	7.2
481.17285	20.0
482.17215	2.0
499.18246	66.3
500.18732	8.8
531.11407	2.4
541.18713	2.9
575.14001	6.8
601.22015	1.6
617.15137	7.3
618.15979	2.3
661.23523	27.2
662.23846	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	661.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.52465	0.1
70.98415	0.3
73.44382	0.1
79.95750	3.0
85.02969	0.1
91.80936	0.2
96.96023	100.0
97.95964	0.3
107.45982	0.1
117.03503	0.1
128.36409	0.1
137.39571	0.2
139.59816	0.1
160.57951	0.1
192.02281	0.1
215.43132	0.1
220.59373	0.1
242.94223	0.1
353.06741	0.2
383.07327	0.1
532.13910	0.1
545.29358	0.2
563.13983	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52469	4.5
57.03447	10.4
59.01384	5.0
70.84755	7.3
70.85076	4.4
83.48425	4.2
85.02961	100.0
96.96049	5.4
119.05024	6.3
128.52325	4.1
129.01933	6.7
129.22580	5.1
147.02980	12.6
152.01237	4.4
163.03999	6.0
165.47363	4.2
167.03479	10.8
191.01981	44.6
209.03024	31.2
355.06735	22.0
540.05261	4.6
578.39203	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	661.142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	12.7
60.75989	1.7
66.03042	1.6
69.53293	12.1
71.01394	9.9
75.00866	5.5
85.02969	13.3
87.00892	3.2
89.02452	3.5
93.03455	6.4
95.01402	2.2
96.96022	19.3
99.00887	3.1
101.02420	3.0
103.00368	2.8
109.02956	1.8
113.02451	10.3
117.03503	13.1
119.05074	2.6
120.87932	1.9
121.02905	2.1
125.02463	2.1
128.02408	1.7
131.44238	2.0
135.04538	6.7
137.02480	1.9
138.03334	2.5
148.05338	2.4
149.02498	3.3
151.03909	2.2
152.06372	1.8
156.02434	1.9
161.02437	8.4
163.04048	4.0
165.01979	9.6
167.03601	2.4
174.12363	1.8
175.03865	3.0
177.01982	5.4
177.05557	3.9
179.03503	6.6
184.32599	1.8
185.02470	2.1
189.01915	2.6
191.03519	4.0
201.01933	2.4
203.03476	3.2
205.12294	3.3
207.02988	7.1
219.03003	4.0
221.04626	2.8
225.05385	1.7
225.07587	2.3
231.03110	2.6
237.03931	2.9
245.88837	1.8
249.03865	3.2
249.06163	4.1
251.07196	2.7
267.07205	25.8
281.04541	6.7
282.05371	5.9
283.06180	24.3
291.07062	2.4
293.04584	2.8
293.08209	2.1
294.05212	2.7
295.06146	15.2
296.06909	5.9
297.04404	3.7
297.07669	33.7
298.07837	2.5
307.06155	8.6
309.04279	2.0
309.07648	3.9
310.04965	2.3
311.05661	26.0
312.05884	3.0
323.05679	22.3
324.06268	2.2
325.07156	13.8
328.05826	9.3
335.05945	8.2
335.58237	2.3
337.07117	6.5
339.05090	3.3
341.06607	8.0
351.04919	13.9
353.06717	60.6
354.06934	6.5
355.08102	2.7
356.05417	3.6
363.05197	3.0
365.06580	7.2
367.04327	3.8
369.06165	46.3
370.06238	3.1
381.06158	7.7
383.07794	30.0
391.77728	1.9
397.05807	2.4
399.07303	17.4
411.07037	3.8
437.18277	2.4
455.09906	15.9
455.19562	3.9
471.09387	3.9
473.10867	9.5
485.10809	5.7
489.10474	7.5
499.18076	5.9
515.11841	29.6
516.12128	2.8
529.09729	4.4
531.11523	36.2
532.11816	4.2
539.11981	2.5
557.12994	4.8
575.14111	100.0
576.14478	15.2
617.15204	92.1
618.15576	15.3
661.29004	16.9
672.66821	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03257	0.2
54.39499	0.2
54.92823	0.2
55.67428	0.3
59.01386	36.3
59.51264	0.2
60.01729	0.3
69.23293	2.0
71.01391	0.3
72.99319	4.3
85.02959	0.6
91.05534	0.3
96.96030	0.3
103.05537	1.7
119.05043	6.1
120.05415	0.2
129.01929	0.2
147.04541	100.0
148.04871	4.1
160.89632	0.2
165.05588	84.7
166.05927	3.1
191.02048	0.3
204.87608	0.3
207.06645	57.1
208.06999	2.8
221.51062	0.2
422.67331	0.2
451.32748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27388	0.6
59.01387	100.0
60.63128	0.6
61.93409	0.6
61.98828	2.5
70.03748	2.5
78.95918	7.7
90.09949	0.6
96.97008	0.7
124.00819	0.7
126.46023	0.6
129.50851	0.7
152.99582	5.5
171.10280	1.0
187.11232	0.9
201.14998	0.8
203.27008	0.7
225.11452	2.1
255.23434	0.9
269.64746	0.8
279.23434	3.5
296.49628	0.7
334.16220	0.9
379.11993	0.8
512.19409	0.7
541.37140	1.1
659.36377	4.0
659.48145	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
60.01708	1.0
61.98843	5.5
66.43810	1.1
78.95914	5.7
84.95143	2.6
101.06139	0.9
126.03322	1.0
152.99602	2.7
166.31522	1.0
200.18697	1.0
225.11215	1.3
279.23340	2.2
395.80267	1.4
641.34949	1.3
659.35114	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87848	0.8
55.17282	0.8
59.01371	2.6
60.60036	0.8
61.98815	1.6
70.60132	2.7
99.92600	24.7
100.93311	1.1
114.94984	0.9
115.92088	26.1
116.92873	100.0
117.92891	4.9
143.86006	0.8
147.34995	0.7
158.93919	1.8
215.41800	0.9
325.11121	1.6
325.14713	1.9
353.14078	3.0
369.13791	2.1
497.31604	0.9
577.35583	6.9
578.36133	1.4
621.34637	6.3
622.34204	1.2
657.36737	27.6
658.37024	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	657.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.1
61.98836	3.6
65.62343	0.9
66.02772	0.9
67.57043	0.8
68.99819	3.2
69.72374	5.0
74.47166	0.9
78.95924	2.9
82.95422	8.1
95.01376	1.0
106.01862	0.9
119.05041	9.3
158.86658	1.0
159.10103	0.9
163.00432	1.4
173.06075	1.0
175.00323	1.6
176.66594	0.8
177.01913	1.3
185.06151	0.8
189.02020	1.3
189.05623	3.0
190.06343	2.7
199.07634	1.3
201.05537	2.5
203.03537	1.7
203.07115	2.5
215.07123	2.2
217.05046	1.5
218.05847	2.7
227.10808	1.5
231.06604	5.2
233.08224	1.6
241.05109	1.8
243.06638	15.0
243.09138	1.1
243.10246	1.7
244.06841	1.0
245.08052	1.0
271.09744	2.0
285.11249	2.0
286.12015	1.9
297.07593	1.3
299.13055	1.9
309.07776	5.0
334.43866	0.9
337.10663	1.0
352.13126	1.7
365.14230	4.8
367.15527	1.9
369.25937	0.9
377.13965	19.7
378.14368	2.0
405.17102	4.5
406.17349	1.2
420.19089	1.2
449.19247	1.3
545.25488	2.5
657.38019	100.0
658.38379	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	659.22
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
57.03447	4.2
58.00594	1.6
59.01387	47.6
61.98825	2.3
68.99825	2.9
69.03440	1.6
71.01388	40.6
71.55289	1.2
72.99310	6.3
73.02954	6.4
75.00883	25.1
79.05545	3.4
83.01419	6.7
85.02961	36.5
87.00880	10.7
89.02452	13.5
93.03461	1.6
95.01392	7.3
96.96029	8.3
99.00892	26.5
101.02456	11.7
102.11856	0.9
103.00385	3.0
109.02962	2.0
111.00898	3.5
111.04578	1.3
113.02463	43.3
114.02766	1.3
115.00407	1.7
117.01949	3.1
119.03515	3.5
120.01263	6.8
125.02456	2.6
126.59534	0.9
127.00381	2.3
129.01947	6.4
129.07164	1.4
131.03510	2.3
137.02498	1.7
139.00400	1.0
139.88156	1.1
142.07822	1.0
143.03500	2.8
143.08736	2.6
144.56697	1.1
149.04646	1.8
157.01427	4.4
157.10257	2.3
159.11812	42.6
160.12120	2.4
161.04575	5.5
167.03506	1.3
170.07393	1.4
175.02486	2.2
179.05550	1.2
185.09734	6.2
191.01956	2.4
200.24290	1.1
203.10803	12.1
204.11096	1.3
205.03578	2.1
205.07132	3.0
207.05273	1.2
221.06793	2.0
223.04576	1.9
231.05159	2.2
247.04546	1.2
249.06184	29.5
250.06500	1.8
267.07230	53.9
268.07669	2.5
290.79132	1.2
315.05087	1.8
435.16602	4.9
453.08420	1.5
453.17636	13.7
459.22516	1.3
479.15634	12.0
480.15784	2.2
483.22217	4.2
497.16711	100.0
498.17062	10.3
539.17480	4.9
604.57684	1.2
610.04443	1.3
659.21973	24.0
660.22540	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	659.329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62328	0.8
55.01865	0.9
57.03448	2.0
59.01391	12.0
61.98823	3.1
68.99571	1.9
71.01396	7.1
73.02950	3.0
80.02701	1.9
81.03460	1.3
83.01376	1.9
83.05030	5.2
84.02196	1.1
84.50101	1.0
85.02959	3.3
87.00879	1.3
88.85125	0.8
89.02455	6.2
95.05015	1.9
96.96026	7.5
97.06606	4.9
98.19954	2.5
101.02458	8.2
105.41802	0.8
107.05061	1.4
112.98589	1.1
113.02474	4.3
119.03540	1.5
125.06123	0.9
125.09698	1.1
135.04584	1.5
135.08182	1.0
140.53442	0.9
142.49657	0.8
143.03513	1.2
149.09683	1.2
151.11308	17.4
161.04564	1.8
163.11322	4.2
165.12796	2.2
168.46779	0.9
169.12357	88.0
170.12737	5.2
171.10277	2.4
185.11824	2.9
195.10265	2.7
197.11815	3.3
199.13387	1.7
209.11852	65.0
210.12196	7.0
211.13329	2.6
212.13779	2.6
213.11351	16.5
226.24704	1.0
227.12944	8.7
229.52463	0.9
235.08218	4.1
253.09349	5.7
255.02928	2.5
279.20377	1.0
283.02490	2.8
284.03253	1.5
293.21265	1.3
316.25360	1.0
431.18970	3.1
449.20251	12.0
497.27866	5.4
546.23328	0.9
615.35968	1.2
641.32062	3.4
659.32892	100.0
660.33234	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	655.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98841	19.3
71.54607	1.8
72.35741	1.2
74.05292	1.1
78.95919	2.6
97.02975	1.2
117.99624	1.1
141.01727	66.1
142.01981	1.7
142.05046	2.0
144.48727	1.3
149.26283	1.3
165.22429	1.1
207.10242	3.8
209.11742	2.3
211.13391	3.6
225.11342	2.4
243.16190	1.4
275.06238	4.5
277.21756	2.5
335.97705	1.3
336.02267	1.2
359.21518	2.1
391.19647	3.1
494.41156	1.6
535.27734	6.2
536.27783	2.1
595.29620	1.7
646.13245	1.4
655.33331	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	656.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
59.01377	1.3
61.98837	0.7
69.37453	2.6
71.01394	1.5
71.39507	0.5
73.02940	0.5
75.00877	0.7
78.95920	0.8
85.02966	3.9
86.03288	0.7
96.96036	2.1
98.19907	0.8
99.04547	0.5
116.92889	0.5
119.05055	0.8
120.01271	100.0
121.01623	1.3
125.02457	1.8
129.01935	0.9
137.02449	0.5
145.03041	0.6
150.03232	0.5
151.04073	0.6
163.04042	0.8
167.03546	0.9
175.06445	0.5
177.01982	0.8
181.05106	0.7
190.08810	1.0
191.01988	2.2
193.13541	0.4
209.02992	0.4
211.04384	0.5
211.09717	0.9
212.10057	0.6
220.09770	0.7
249.20627	0.5
344.31534	0.5
385.67487	0.5
535.19946	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.3
59.01384	3.3
66.82408	0.3
69.03468	0.6
70.88562	0.7
71.01382	2.6
73.02959	0.4
73.68994	0.3
78.76244	0.3
80.02687	0.7
81.03460	0.8
83.01393	0.6
83.05045	3.3
84.02184	0.5
84.47908	0.3
85.02966	1.1
87.00869	0.7
89.02454	2.0
95.01385	0.4
95.05052	0.6
96.96040	0.4
101.02470	2.8
109.06641	0.3
113.02474	1.5
119.03491	0.3
125.02400	0.3
125.06100	0.5
125.09796	0.4
127.20147	0.3
135.08151	0.5
143.03531	0.3
145.05106	0.5
161.04568	1.1
163.11333	3.3
165.12862	2.2
167.14394	0.3
171.10359	1.7
181.12451	0.7
183.13918	7.5
183.15410	0.6
184.14258	0.6
191.10800	0.7
192.69595	0.3
193.12360	1.8
199.13412	0.6
209.11855	83.4
210.12212	4.8
211.13414	100.0
212.13750	6.3
212.15469	0.2
227.12917	13.2
228.13199	0.7
235.08220	3.3
241.54689	0.4
249.14989	0.9
253.09312	9.3
254.09698	0.4
403.24701	1.0
421.26035	0.3
445.20764	0.9
447.22455	4.3
448.23212	0.3
463.21558	0.3
496.79926	0.3
621.32861	1.1
639.33704	0.9
657.33862	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	0.4
59.01390	3.1
61.35900	0.3
71.01389	3.3
73.02950	0.7
80.02691	0.8
81.03459	1.3
83.01396	0.6
83.05037	4.3
84.02174	0.6
85.02965	0.5
87.00871	0.9
89.02452	2.0
95.05023	0.5
96.96052	0.4
97.02967	0.3
98.89041	0.3
101.02461	2.0
105.23032	0.3
107.32823	0.3
109.06589	0.4
113.02467	1.8
114.77244	0.3
119.03493	0.6
125.06061	0.4
135.08165	0.8
135.39549	0.4
145.05057	0.3
147.11807	0.5
158.74916	0.3
161.04579	1.0
163.11287	3.2
164.11409	0.3
165.12866	2.5
167.14336	0.4
171.10313	1.6
179.05675	0.5
181.12329	0.8
183.13905	6.3
191.10727	0.9
193.12357	1.8
207.10338	0.4
209.11847	100.0
210.12172	5.7
211.13409	96.1
212.13759	6.4
227.12920	13.9
228.13361	0.6
229.36708	0.5
235.08272	2.9
249.14989	1.3
253.09294	9.3
403.24777	0.7
421.25580	0.4
429.21344	0.4
445.20761	1.0
446.21393	0.4
447.22339	3.2
479.54498	0.3
505.31967	0.4
598.27692	0.4
621.32458	0.7
639.33899	0.8
657.34247	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87385	1.1
57.03445	1.8
59.01377	5.9
60.64022	1.1
69.53014	8.5
70.07004	1.3
71.01388	5.9
80.20690	1.1
80.86688	1.2
81.49467	1.1
82.10142	1.2
83.05040	1.4
85.02948	2.5
87.00876	1.9
89.02433	3.5
96.56548	1.2
96.95986	1.6
101.02461	3.2
104.56110	1.4
113.02480	1.5
136.41624	1.7
161.04630	1.5
165.12854	9.0
183.13921	71.9
184.14235	2.7
193.12306	2.4
199.13608	1.7
209.11841	26.9
210.12152	2.4
211.13419	100.0
212.13809	6.6
227.12897	8.5
235.08488	1.7
253.09366	6.9
443.88333	1.5
445.20935	2.9
447.22366	3.9
463.21857	5.0
657.34918	65.8
658.35480	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	655.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46848	1.4
59.01387	100.0
61.98837	10.5
66.30767	1.4
71.54779	2.0
78.95914	2.6
96.95969	1.6
103.62322	1.6
106.55296	1.5
141.01723	70.3
144.93434	1.4
152.99638	1.5
161.04347	1.6
163.11256	1.6
207.10226	2.7
211.13417	4.5
225.11420	2.3
275.06036	3.8
277.21783	2.4
535.28149	1.7
655.33496	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	655.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
57.03454	3.0
59.01384	13.5
61.98819	1.7
67.01878	0.5
68.71307	0.4
68.99839	0.8
69.03432	0.8
71.01392	17.1
72.99316	5.3
73.02946	2.0
75.00883	11.5
78.95914	0.6
83.01395	2.3
85.02957	15.8
87.00880	5.5
88.98768	0.6
89.02454	3.9
95.01396	3.1
96.96009	1.6
98.19878	1.3
99.00892	7.1
101.02460	4.5
103.00384	1.0
104.90244	0.5
109.42297	0.5
111.00840	1.4
113.02469	13.1
115.00342	1.5
117.01904	1.4
119.03489	0.6
119.30673	0.5
125.02441	1.1
129.01930	1.7
155.88327	0.6
156.62158	0.5
175.02478	1.2
191.02014	1.7
209.11876	9.1
225.18564	1.8
227.12979	1.3
243.19681	22.3
244.19939	1.9
247.13344	0.8
249.06140	4.1
255.19571	0.6
267.07260	1.0
309.04105	0.6
310.04745	0.7
387.23782	1.8
405.24991	18.6
406.25275	1.4
493.23557	0.8
584.84161	0.6
628.24518	0.6
637.31555	2.5
655.31860	100.0
656.32324	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	655.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.3
58.00592	0.2
59.01384	2.2
59.54692	0.1
59.59717	0.2
61.98840	0.2
69.03460	0.3
71.01385	1.9
71.05022	0.2
72.99326	0.3
73.02953	0.5
75.12492	0.1
78.95911	12.8
80.02689	1.0
81.03461	1.1
83.01392	0.3
83.05035	5.1
83.47929	0.1
84.02185	0.4
84.05384	0.1
85.02962	1.0
87.00892	0.4
89.02458	1.1
93.03475	0.1
95.01405	0.1
95.05040	0.8
96.96018	0.4
96.96969	1.1
97.02950	0.2
97.06585	0.3
99.00902	0.2
101.02448	1.4
103.78757	0.1
109.06616	0.8
111.08162	0.2
113.02472	1.0
119.03532	0.4
125.06100	0.5
125.09717	0.7
134.98538	0.1
135.08185	0.6
143.03528	0.2
145.05086	0.2
147.11899	0.2
150.06859	0.2
152.99603	7.4
156.27069	0.1
161.04594	0.6
163.11314	4.1
164.11613	0.3
165.11610	0.2
165.12874	2.4
171.00633	0.2
171.10301	1.8
179.05565	0.1
181.12349	0.7
185.11823	0.7
191.10799	1.1
203.14482	0.2
207.10280	1.0
209.11842	100.0
210.12178	5.1
211.13385	1.5
223.13388	0.3
225.11336	0.6
227.12906	6.4
228.13116	0.2
235.08235	1.5
247.13402	1.1
248.13777	0.1
249.14922	0.7
251.12984	0.3
253.09314	4.0
265.14505	0.3
357.24454	0.2
363.12177	2.4
375.21649	0.1
381.13272	0.7
383.22464	0.7
395.14819	2.2
396.15369	0.2
401.23334	1.7
402.23929	0.2
413.15881	0.5
419.24365	0.9
445.20587	1.1
483.22339	0.1
493.35321	0.5
591.25854	4.2
592.26196	0.5
619.31323	0.2
623.28461	5.7
624.28607	0.9
637.32306	3.9
638.32843	0.4
655.31897	3.5
656.32593	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
57.03460	3.1
58.00599	0.5
59.01385	13.9
61.98849	2.5
68.99808	1.2
69.03448	1.4
71.01388	15.0
72.99319	5.2
73.02949	2.9
75.00877	10.6
78.95903	0.7
83.01395	2.4
83.05023	0.9
84.02161	0.4
85.02959	18.3
86.03256	0.5
87.00890	4.3
88.98795	0.9
89.02444	4.6
93.03437	0.6
95.01376	3.6
95.05005	0.5
96.96007	2.0
97.02950	0.5
99.00285	0.6
99.00893	6.7
99.08157	0.5
101.02441	4.2
103.00372	1.3
111.00893	1.3
113.01738	0.8
113.02467	12.7
115.00346	0.7
117.01926	1.3
121.02879	0.5
123.04488	0.5
125.02428	1.9
129.01941	1.5
135.04515	0.5
150.06818	0.7
163.11250	0.8
175.02419	0.9
177.01865	0.5
191.01999	3.0
207.10263	0.7
209.03017	0.6
209.11845	15.8
210.12146	0.7
211.13408	1.2
225.11322	0.6
225.18607	1.5
227.12961	2.7
243.19667	20.4
244.20010	1.3
247.13449	0.8
249.06128	4.5
253.09373	1.1
265.19394	0.4
267.07101	0.7
287.05783	0.6
311.04532	0.5
378.07260	0.5
387.23782	1.7
401.23251	0.8
405.24988	19.1
406.25195	1.8
443.66269	0.5
493.23602	0.9
493.31238	0.6
637.31464	3.0
638.31567	0.7
655.31860	100.0
656.32184	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	653.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	100.0
59.23055	9.8
61.98839	13.7
71.53912	9.5
78.95924	22.8
123.61415	10.6
152.99608	18.8
232.50121	9.9
237.60068	11.6
255.23277	31.2
264.82126	10.9
267.29514	10.2
286.07108	10.9
315.25397	60.3
337.14526	38.2
386.48608	13.5
571.28857	30.0
653.49786	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.3
57.03448	1.0
58.00601	1.8
59.01386	42.6
61.98829	0.4
67.11504	0.4
68.99831	0.4
69.03465	2.8
69.21535	2.0
69.21960	1.5
71.01388	36.9
72.99321	2.4
73.02958	6.5
75.00894	0.9
80.83994	0.4
81.03461	1.6
83.01389	4.3
85.02957	8.1
86.00091	0.5
87.00359	0.4
87.00888	9.4
89.02454	31.7
91.04018	0.8
91.94056	0.3
93.03485	0.5
95.01382	3.1
97.02962	6.7
98.20599	0.8
99.00889	2.4
99.04520	0.5
101.02454	31.0
102.02803	0.4
103.00387	0.6
103.04025	0.6
109.02919	0.4
111.00920	0.5
111.04522	1.0
111.71916	0.4
113.02463	15.2
115.03999	0.8
119.03513	10.7
121.02964	0.5
124.01654	0.5
125.02464	13.6
131.03506	1.6
133.05090	1.3
139.04008	1.2
143.03517	6.7
149.04512	1.0
160.35207	0.3
161.04581	8.7
167.03502	0.7
169.05138	0.5
179.05614	6.2
185.04514	0.7
199.06142	0.7
203.05615	0.7
217.07207	0.9
219.05222	0.5
221.06642	2.4
235.08257	14.7
236.08702	0.6
237.22171	0.4
245.06654	0.8
253.09335	3.8
255.23320	100.0
256.23651	6.9
259.08362	0.4
263.07703	1.5
269.24890	0.6
277.09247	1.1
287.07700	3.1
305.08807	3.7
323.10040	1.9
364.05243	0.4
379.12466	1.2
397.13531	90.8
398.13834	5.7
415.14603	33.1
416.14951	2.4
595.28223	0.5
623.71472	0.4
653.38287	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	29.3
61.98820	6.4
69.18356	2.4
69.71384	12.5
71.01389	15.8
73.02942	4.5
73.87495	2.1
74.89933	2.2
75.00851	2.7
78.95903	4.7
83.01412	3.4
83.05034	8.5
85.02946	7.2
87.00898	2.7
89.02447	8.8
93.03478	3.9
95.01353	2.7
96.96026	7.6
97.06612	3.3
99.00921	3.7
99.67569	2.4
101.02449	10.8
109.06602	11.3
113.02491	5.8
121.06560	4.7
125.09722	11.4
133.82277	2.8
142.46582	2.8
145.05170	2.5
150.06459	2.6
152.99579	2.7
157.08728	3.7
161.04533	4.5
163.11287	10.3
171.10300	62.4
182.63609	2.5
185.11861	7.6
201.12822	2.8
207.10316	32.6
209.11855	100.0
209.13824	4.9
210.12172	5.0
213.09219	2.6
217.12383	4.0
225.11340	18.0
227.12918	12.4
231.10110	4.4
235.08128	5.9
235.13493	4.2
245.11813	5.0
247.13400	5.3
249.11220	2.7
253.09283	10.7
263.12851	4.0
307.69702	2.4
373.23953	3.4
389.93262	2.4
390.63486	2.6
399.21896	11.8
407.19028	7.3
417.22800	13.4
455.26633	12.8
635.30634	28.2
636.31049	3.6
653.31415	78.9
654.31873	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	653.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	32.5
62.23874	4.8
66.62359	4.6
69.99280	11.9
69.99674	11.6
70.79966	5.2
71.01385	24.1
81.88681	4.7
83.05013	7.4
85.02963	12.6
89.02435	8.9
96.96021	25.4
97.03001	6.1
98.19891	7.7
101.02461	13.4
109.06587	10.9
111.28342	5.7
113.02458	12.8
123.82673	5.2
125.09695	11.3
131.24571	5.2
161.04550	6.7
163.11275	11.6
171.10306	81.9
177.12941	5.7
185.11813	8.3
207.10345	37.9
209.11842	100.0
210.12215	9.6
211.13318	8.1
225.11267	17.3
227.12900	17.6
235.08057	6.1
245.11929	9.6
247.13426	10.4
253.09218	10.5
263.12747	8.0
265.14374	5.0
285.04105	11.4
389.23279	5.6
399.21710	12.2
417.22928	15.3
445.20789	6.0
455.26566	11.3
461.20453	9.1
635.30896	36.6
636.30682	8.0
653.31531	86.3
654.31671	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	653.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.4
62.96421	0.7
69.81257	1.4
73.25399	0.3
78.95911	100.0
96.96011	1.0
97.09219	0.3
149.00105	4.7
152.99649	0.5
179.01208	0.3
205.15959	2.2
209.11836	0.9
212.32623	0.3
255.23340	1.2
277.21777	1.4
284.45700	0.3
285.12607	3.9
355.16635	2.1
382.08914	0.4
385.17883	1.1
417.12335	0.3
447.13458	5.9
448.13602	1.0
653.30157	60.9
654.20087	0.6
654.30524	8.8
654.41595	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	5.7
58.00570	1.9
59.01385	62.9
68.99832	3.0
71.01388	23.6
71.54634	2.8
72.99327	6.6
73.02978	1.7
75.00885	23.2
83.01405	2.7
85.02962	31.7
87.00880	8.9
89.02443	9.1
91.01953	1.9
95.01394	5.4
96.96049	6.3
99.00884	21.9
101.02466	3.0
108.02196	4.4
109.02998	3.7
111.00897	2.4
113.01704	3.8
113.02449	30.7
113.03168	2.4
115.00371	3.6
117.01985	3.6
121.02982	3.5
130.83946	1.8
134.03781	3.2
135.00916	3.0
137.09767	3.1
149.02512	2.3
152.01202	3.6
153.01935	5.4
157.01462	4.3
161.09775	3.0
175.02538	3.5
179.10840	7.9
181.08778	6.4
189.07805	3.1
191.02011	4.7
193.05110	2.4
197.11900	11.4
223.09845	2.4
231.05164	2.6
241.10994	6.0
249.06165	35.3
250.06731	2.8
267.07230	16.4
287.09174	2.5
291.07236	2.9
309.08578	4.0
343.04510	2.8
366.83597	1.9
373.05902	2.7
429.17670	3.3
447.18692	5.0
449.14777	2.4
455.15775	3.1
463.08829	3.8
473.16693	35.1
491.12289	5.9
491.17862	100.0
492.18353	10.4
533.19000	7.1
652.40912	2.0
653.23444	62.3
654.24390	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	653.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12554	1.0
56.47493	1.1
56.81042	1.3
57.03447	5.0
59.01389	61.5
67.01891	1.1
68.99817	2.1
69.03445	1.7
69.28371	8.7
71.01019	1.3
71.01392	24.6
71.48448	1.1
72.99327	5.7
73.02943	3.0
75.00883	24.6
83.05022	2.2
85.02963	27.5
85.79536	1.3
86.03322	1.7
87.00867	10.1
89.02454	8.8
95.01396	6.3
96.96024	4.2
97.02906	1.6
99.00898	25.6
99.04543	3.2
101.02445	2.7
103.00373	2.0
109.02956	2.2
111.00899	2.5
113.02464	31.7
115.00367	2.9
117.01934	2.2
126.42093	1.3
129.01971	2.5
129.05582	1.1
134.03778	1.2
135.04530	1.2
135.11806	1.3
137.09709	3.0
139.00368	1.2
147.02985	1.3
153.01981	2.9
157.01439	3.3
161.09744	2.7
163.07687	1.6
175.02487	2.6
179.10782	7.3
181.08690	5.3
191.01945	3.3
197.11884	13.6
198.12183	1.1
205.07126	2.0
209.03038	1.9
209.13553	1.2
223.09779	1.7
231.05080	2.9
241.10712	5.7
249.06174	34.2
256.46304	1.5
267.07230	18.3
291.07214	2.3
309.08395	5.7
315.14322	1.1
323.07629	2.1
367.28720	1.3
429.17694	3.2
447.18674	3.2
449.15012	2.0
473.16708	35.4
474.17017	3.5
491.17755	100.0
492.11514	1.7
492.17877	9.1
533.18768	5.2
653.23199	47.3
654.23615	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	653.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94922	0.4
57.03450	0.9
59.01387	3.9
61.88040	0.4
61.98828	1.9
62.09272	0.5
65.03983	0.8
71.01385	3.8
71.55236	0.5
72.99315	0.8
73.02961	0.9
75.00870	0.9
79.95750	0.6
85.02961	4.3
87.00887	0.8
88.98801	0.8
89.02442	1.5
93.03467	100.0
94.03811	1.6
95.69772	0.5
96.96024	5.3
99.00887	0.8
101.02443	1.7
108.02166	2.1
109.02991	0.5
113.02460	1.8
116.92864	1.0
119.05027	0.6
121.02978	0.8
123.04553	0.9
125.02496	0.7
129.01956	0.6
133.06612	0.6
137.02458	79.1
138.02785	2.2
142.14865	0.5
146.03758	0.5
147.04562	1.3
148.05359	0.5
151.04028	0.7
152.01169	1.9
157.06340	0.5
158.03790	0.5
159.04538	0.9
163.04037	1.0
163.07716	0.5
165.01851	0.5
167.03513	1.2
173.02473	1.7
174.03252	5.9
179.05760	0.6
188.04745	0.7
189.05568	0.7
191.02013	1.4
191.03558	1.2
191.07150	0.5
193.05032	0.6
201.01898	0.9
202.02742	2.1
205.05067	0.6
206.02258	1.2
207.10248	0.4
214.02791	1.4
215.03572	2.1
217.05104	1.1
218.05605	0.5
220.03763	0.8
229.05090	1.7
235.06067	0.7
237.05528	0.7
249.05667	0.7
251.07162	1.5
261.05518	0.8
265.05176	0.7
267.06772	1.4
274.43280	0.5
277.05063	1.0
279.06638	2.1
280.07358	0.7
281.06781	1.8
282.09076	0.8
293.04700	1.7
293.07962	0.6
294.09137	1.1
295.06052	0.7
304.07431	1.2
305.04681	1.5
307.06415	0.5
308.07031	2.8
309.03967	0.6
309.07635	1.1
320.06918	1.4
321.07663	0.8
322.08755	0.7
323.05664	1.4
323.09363	4.6
326.07666	0.5
327.05240	1.6
335.09384	1.6
337.06757	0.6
338.07974	2.1
339.08658	0.6
341.10318	1.6
353.10318	27.6
354.10522	2.3
364.08255	0.6
371.11359	2.6
379.10492	1.4
395.11584	0.8
398.27844	0.5
437.12640	0.7
470.12408	0.8
482.12259	0.5
483.13101	1.7
485.14603	7.5
486.14987	1.3
497.14606	6.6
498.15240	0.7
515.15588	25.7
516.16357	3.4
538.26373	0.7
623.17578	4.2
624.18384	0.6
635.17560	4.1
636.18329	0.5
653.19165	4.9
653.31750	2.0
654.19830	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.1
71.01394	6.3
71.53983	2.4
72.99324	2.3
73.54794	1.7
75.00887	3.7
85.02953	9.2
89.02464	2.9
93.03482	4.5
96.96010	4.9
98.96517	1.6
99.00926	3.2
105.02312	1.6
113.02445	2.8
121.02988	8.9
137.02452	6.7
167.47726	1.6
200.04761	1.7
205.07230	2.7
228.04317	2.2
231.38168	1.7
240.04294	4.8
249.06238	1.8
267.07297	1.9
283.02628	2.6
283.10971	3.2
284.03296	70.1
285.03699	6.9
285.21002	1.6
296.08075	1.9
299.05643	100.0
300.05865	8.6
309.08807	2.6
371.10065	2.1
491.11945	8.6
498.51175	1.9
551.35052	1.5
577.16492	4.5
621.15613	8.6
653.17505	5.0
653.30640	4.9
654.17804	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	651.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.3
57.03447	3.5
59.01387	71.2
61.10486	0.9
61.98840	1.7
68.99842	1.1
69.03479	1.4
69.67706	5.5
71.01392	26.9
72.99325	6.6
73.02952	3.7
75.00889	13.5
75.14568	1.3
83.01396	3.1
84.77306	0.9
85.02966	22.0
87.00898	6.4
88.98849	1.2
89.02463	13.3
90.41509	1.0
95.01395	4.5
96.96040	5.9
97.06596	3.0
99.00887	7.0
101.02465	10.2
103.00374	1.6
108.03209	1.2
111.00877	1.9
113.02470	20.7
117.01993	1.5
119.03484	3.7
125.02450	1.1
125.09715	1.5
126.90418	2.8
126.95727	1.2
129.01926	3.3
137.02379	1.4
169.12277	2.3
175.02496	2.3
191.01950	1.5
195.06635	1.5
212.68539	1.0
221.15430	4.4
229.14471	63.4
230.14806	1.9
239.16714	1.2
249.06157	9.0
267.07211	2.5
401.21451	4.9
421.20822	1.7
633.27765	1.7
651.28705	100.0
652.29016	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	651.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96887	0.5
56.23338	0.4
57.03466	0.7
59.01382	0.8
69.37736	4.3
85.02957	1.0
93.03468	0.8
96.96009	1.3
109.02956	0.7
119.05042	93.2
120.05391	3.1
125.02425	1.3
125.04589	0.5
134.06578	0.7
156.30580	0.5
163.04024	100.0
164.04355	3.8
177.01859	0.8
191.01923	0.6
200.05673	0.5
243.02823	0.6
289.07199	1.8
325.09344	12.1
326.09695	0.6
358.47742	0.6
363.81567	0.5
369.06128	1.0
489.10446	0.8
593.14618	1.0
651.15210	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.5
61.22745	1.1
61.98841	1.7
65.00330	6.2
70.16609	3.7
78.95899	1.8
83.01388	1.9
84.79459	1.0
104.29816	1.1
108.99335	1.1
117.03484	3.0
119.05045	64.9
120.05353	2.7
125.02464	3.1
130.04266	3.3
134.03745	10.0
135.04504	2.2
143.05051	31.5
144.05444	1.0
145.06575	1.8
149.06119	5.3
155.05014	1.1
157.06552	2.6
158.03757	38.4
159.04390	3.2
159.08157	2.0
160.48012	1.1
161.02415	1.7
167.04889	1.4
171.04565	1.1
172.05281	5.4
173.06091	40.7
174.06470	2.4
175.03996	3.0
182.03828	1.9
183.04492	2.4
185.06102	12.9
187.04057	2.0
189.83545	1.1
199.03972	8.6
200.04800	19.9
201.05316	1.9
202.02724	1.5
215.07147	41.6
216.07463	3.3
217.05026	2.2
227.14386	1.7
229.05095	23.8
244.03853	1.0
259.06134	100.0
260.06445	6.6
266.12988	1.2
271.13461	14.1
272.13580	1.2
277.21573	1.4
289.14474	12.6
294.14777	1.0
391.19196	75.3
392.19614	9.3
421.20157	10.5
422.20770	1.6
651.29388	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.2
57.03451	3.8
58.00596	3.5
59.01386	100.0
61.98840	2.4
63.85364	1.8
69.03488	2.9
70.53044	2.7
70.53373	2.9
71.01389	61.7
72.99322	4.3
73.02951	12.6
75.00912	2.7
81.55600	1.7
83.01414	9.0
83.05007	2.3
85.02963	26.2
87.00854	4.9
89.02457	33.2
95.01399	9.4
96.96025	7.5
98.20567	2.7
99.00855	2.4
101.02451	28.5
104.03562	2.1
110.06125	2.2
111.00924	2.4
113.02468	39.3
119.03532	11.5
119.05018	4.1
124.01678	2.2
125.02466	11.1
125.09711	4.0
131.03468	2.3
137.02443	3.0
143.03534	6.9
148.18127	1.6
161.04568	9.5
163.04013	2.8
163.11237	1.9
166.43503	2.2
171.10260	1.9
179.05646	4.0
199.13344	1.9
201.11389	15.4
202.11674	10.4
203.05920	2.0
203.11899	4.5
209.11818	16.7
210.12231	12.7
211.12386	3.1
253.09166	2.7
346.15945	1.9
505.33926	2.7
545.29718	59.4
546.30029	6.9
563.30780	56.0
564.30896	6.0
573.26874	3.6
605.32153	9.0
617.25897	4.1
625.39972	2.0
649.28497	21.0
649.39612	16.2
650.28589	3.4
650.38837	2.4
674.16168	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	649.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.7
61.70666	1.4
71.01385	4.5
75.00903	1.6
80.30858	1.5
82.03005	4.3
85.02960	6.6
88.01141	1.4
89.02487	2.3
94.02997	42.4
96.04547	3.3
96.96021	9.8
98.19749	1.3
101.02451	3.3
105.05860	1.8
108.04581	2.3
113.02479	4.8
115.55064	1.4
120.08205	37.3
122.06143	3.1
124.07701	3.3
125.02431	4.1
125.09761	1.9
138.05624	20.4
144.04578	6.2
160.04073	2.2
164.07237	3.0
171.10336	2.1
174.05696	2.9
188.03534	4.2
191.01974	1.5
201.11372	3.8
203.05884	7.3
217.13553	1.8
223.08707	2.4
225.13910	1.9
236.09581	3.7
237.10278	2.8
238.36789	1.7
249.14087	1.6
250.08145	1.4
250.11069	2.4
251.11932	30.1
252.12486	3.3
263.08282	5.9
263.11847	6.0
264.09030	5.0
264.12772	1.7
265.10040	1.9
265.13535	5.5
267.07648	1.7
276.09100	3.0
277.09869	24.9
278.10428	8.9
279.11404	3.6
285.12534	3.4
291.11429	30.3
292.12167	36.8
293.12936	22.2
294.13522	4.0
295.34598	1.5
296.11557	2.8
303.13684	1.4
319.10837	3.5
324.11090	8.2
327.13474	4.3
335.10400	12.2
336.11160	10.9
337.11887	6.5
338.08276	1.5
369.14874	1.8
374.18948	8.4
375.19412	3.2
376.20297	2.1
388.16827	4.2
414.18546	2.6
416.19818	15.6
417.20441	3.5
420.19284	7.6
434.20709	4.2
443.18237	3.0
451.18274	3.6
460.18820	32.2
461.19501	14.1
480.21945	2.1
492.21469	100.0
493.21765	13.5
513.25153	6.1
531.26172	2.6
555.25952	5.5
557.24402	10.4
573.27240	4.6
589.26703	13.0
590.27448	2.6
599.25122	16.9
600.25720	3.3
605.16541	1.9
617.26160	58.7
618.26465	10.1
631.27917	14.2
632.28534	4.1
649.29236	43.7
650.29059	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	649.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81788	0.9
54.89980	1.2
56.61605	0.9
59.01383	2.5
64.71816	1.0
65.03963	1.3
71.54406	1.4
90.30196	1.0
91.01900	25.9
95.01379	1.3
96.96051	1.3
107.05112	1.1
109.02984	1.4
112.18176	0.9
119.05027	4.6
124.28634	1.0
132.05827	16.5
135.00903	34.6
137.02347	1.4
151.04015	5.9
153.01959	18.7
155.94012	1.0
164.03519	1.2
164.04810	13.6
165.09216	2.5
167.64340	1.0
170.02190	2.5
186.03239	1.2
187.11304	62.7
188.11607	3.9
207.10257	8.2
213.05562	1.3
213.09137	1.4
221.08044	1.2
241.05067	2.5
253.04909	1.5
269.08093	1.3
310.12280	3.2
323.12897	100.0
324.13187	7.3
325.14453	22.3
326.14749	3.0
379.19080	1.2
383.51523	1.2
412.96414	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04136	0.1
59.01404	0.7
71.01391	0.4
78.95490	0.3
78.95918	3.7
79.95751	3.1
80.75603	0.1
85.02959	0.6
96.96027	100.0
96.96915	5.0
97.95959	0.2
99.00900	0.2
105.56503	0.1
113.02479	0.5
137.76309	0.1
168.04190	0.1
191.02069	0.2
217.21216	0.1
227.13046	0.2
236.68550	0.1
267.07172	0.3
345.46405	0.2
389.18219	0.2
429.80209	0.2
517.19299	1.0
649.23102	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75477	1.2
56.31898	1.3
58.00206	1.3
59.01379	2.4
69.56907	8.7
71.01415	1.7
85.02972	2.7
87.00910	1.6
93.03457	2.7
95.01447	1.3
96.96015	5.3
99.47980	1.5
103.00380	1.4
113.02438	1.4
117.03494	10.1
125.02472	2.9
135.04503	3.1
143.57742	1.3
147.04530	2.6
149.02498	2.8
154.14900	1.3
159.04538	1.3
161.02463	5.0
163.04051	3.1
175.04050	1.9
177.02005	1.4
177.05513	2.0
191.03503	2.8
203.03522	1.8
205.05092	1.9
221.04510	2.3
268.07428	1.8
281.04453	1.9
282.05432	2.4
283.06125	5.9
295.06104	6.8
296.06845	5.0
297.07709	24.1
298.08051	1.3
307.06259	2.5
309.07733	3.0
311.05688	7.3
323.05606	5.9
325.07230	12.6
325.92807	1.5
328.05853	3.7
335.05304	1.6
337.07104	4.6
341.06735	1.8
353.06702	46.2
354.07040	3.7
355.08301	2.0
365.06577	11.9
383.07751	41.4
384.07980	3.2
395.07709	5.3
413.08841	5.0
425.08820	5.4
443.09924	35.4
444.10083	3.6
455.09671	3.2
473.10742	10.3
515.12103	5.7
518.31384	1.4
527.11847	2.6
545.12750	8.6
563.14178	36.4
564.14600	3.4
587.14752	1.9
605.15143	100.0
606.07397	1.9
606.15686	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	649.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96852	1.0
57.03465	1.1
58.99564	0.9
59.01382	3.2
63.85757	0.9
71.01380	2.0
71.55128	1.2
71.86843	1.1
77.16879	0.8
78.95903	0.9
85.02960	2.2
89.02433	1.1
93.03468	1.8
96.96013	7.5
105.42326	0.9
113.02489	1.6
117.03490	7.2
117.71668	1.1
119.05044	3.1
125.02519	1.5
135.04550	3.7
137.02505	1.3
137.87305	0.9
145.02940	1.3
147.04550	2.1
149.02477	1.8
161.02440	4.0
163.04051	4.1
175.04001	3.1
177.01967	1.3
177.05623	1.5
179.03510	2.4
184.59201	1.0
188.27800	1.0
189.01999	1.6
191.03561	2.6
203.03531	2.8
237.22832	0.9
244.03894	1.0
245.04449	1.8
252.30289	1.3
267.06848	1.9
281.04547	2.0
282.05249	2.4
283.06094	5.6
285.28116	1.1
295.06116	9.0
296.06882	4.1
297.07690	25.3
298.07993	1.3
307.05988	2.0
309.07611	3.1
311.05679	4.1
323.05615	6.8
324.05960	1.2
325.07138	11.4
328.05984	3.9
335.05664	3.9
336.05499	1.2
337.07242	6.0
341.06528	1.2
353.06680	49.4
354.06967	5.4
355.08298	1.6
356.05402	1.2
365.06607	9.2
383.07727	30.0
384.08051	3.1
395.07745	3.3
396.07898	1.1
407.07816	1.5
413.09088	4.8
414.09454	1.1
425.08734	2.4
443.09869	25.4
444.10049	3.0
455.09518	1.9
473.10910	9.8
485.11166	1.2
515.11572	1.1
527.12018	1.8
545.12878	5.1
552.23529	1.3
563.05188	2.0
563.14069	52.8
564.14233	7.6
605.15167	100.0
606.15540	11.8
649.23242	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48635	0.2
59.01385	2.0
61.98840	100.0
70.83731	0.3
70.84055	0.2
84.46747	0.2
84.48035	0.2
92.53197	0.1
96.96034	0.3
136.40198	0.2
197.19171	0.2
216.44287	0.2
243.28662	0.2
255.23419	0.2
269.21124	0.2
287.22415	0.4
315.25458	0.7
329.23428	0.3
496.98825	0.2
567.46649	0.7
585.47491	3.8
586.48328	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.3
61.73903	0.4
61.98837	100.0
71.22267	0.4
71.53682	0.5
79.80801	0.4
90.81971	0.3
93.66995	0.3
96.96050	0.4
105.77209	0.4
157.71855	0.4
159.68343	0.5
212.82069	0.4
214.99261	0.4
215.55910	0.4
217.89984	0.4
221.91278	0.4
257.79086	0.4
302.09991	0.4
315.90192	0.5
329.23376	0.5
371.46347	0.4
567.46753	0.6
585.47449	3.3
586.48047	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.5
60.44007	0.2
61.98835	100.0
62.98543	0.2
69.83205	0.2
71.16311	0.2
71.16658	0.4
149.11610	0.2
161.87698	0.2
169.16052	0.3
218.85243	0.2
248.35605	0.2
269.21439	0.2
287.22256	1.4
315.25482	1.3
331.03629	0.2
566.16412	0.2
585.47418	1.6
586.47620	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17578	0.5
59.01371	1.5
61.98823	1.3
65.00336	0.8
71.01376	0.6
71.54675	0.7
83.01395	0.7
85.02943	1.3
96.96034	3.5
107.01398	1.3
109.02965	0.8
113.02446	0.5
125.02358	0.6
132.45926	0.5
133.02936	1.9
151.00362	2.2
157.74294	0.5
165.17532	0.5
171.04492	1.7
175.03990	1.4
187.03996	1.0
199.04013	5.6
199.13367	0.9
200.04340	0.6
201.01967	1.8
201.11304	0.6
209.11838	1.2
215.03560	1.9
226.02679	0.5
227.03555	2.4
243.03027	2.8
250.99014	0.5
255.03043	2.1
259.28238	0.7
271.02496	35.2
272.02780	2.2
283.02481	1.0
285.04062	5.5
299.01981	100.0
300.02332	6.4
451.07452	0.5
672.00677	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41912	1.5
55.01887	1.6
56.28577	1.4
57.03439	1.4
58.00608	2.2
59.01389	100.0
61.98830	2.5
68.09021	1.3
70.49117	3.0
70.49446	3.2
71.01395	61.4
71.01790	3.0
72.01709	1.5
72.99339	3.4
73.02953	16.5
73.87873	1.4
83.01385	7.1
85.02974	16.1
85.04086	1.5
87.00902	6.0
89.02457	45.8
95.01409	5.6
96.96021	20.7
97.02965	1.9
99.00896	2.9
101.02454	31.3
113.02473	36.0
117.62174	1.5
119.03521	16.9
122.06115	5.4
125.02409	3.0
128.03586	2.0
131.03548	2.7
134.06128	1.7
136.07687	1.8
143.03517	4.8
149.04565	2.7
152.07210	2.4
156.39464	1.7
161.04610	14.3
174.05614	1.6
179.05644	13.6
180.06723	4.8
188.07225	3.6
201.11371	2.9
207.10301	4.4
208.92792	1.5
239.11938	3.4
265.10031	1.8
267.11417	2.0
279.11606	1.8
286.10501	2.3
291.11581	1.8
293.09421	2.3
303.13501	2.2
307.10925	4.7
308.11627	7.8
309.12158	3.3
321.59769	1.5
340.10672	4.3
430.17706	7.3
448.18805	7.6
457.56342	1.6
474.16833	2.1
492.17795	25.7
493.17996	3.4
506.19318	2.1
511.04382	1.6
524.20447	30.2
525.20880	3.5
540.15613	1.6
543.28040	22.7
544.28357	2.7
553.24579	1.5
561.29218	31.7
562.29303	4.4
571.26172	1.8
603.30286	3.4
615.24823	2.6
647.26801	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	647.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24206	0.5
53.12085	0.5
69.37849	0.5
70.12906	1.1
70.13299	1.1
77.69188	0.5
78.57320	0.5
85.02955	0.6
91.01906	20.4
96.96021	9.1
109.02959	2.2
119.05038	45.0
120.05385	1.0
132.05827	18.8
133.05081	0.7
135.00902	35.1
136.01224	1.1
145.02965	1.8
149.02307	0.5
151.04031	0.6
153.01950	11.9
157.06616	1.6
159.08183	3.9
164.04816	10.6
187.11298	54.6
188.11578	2.9
189.01961	1.0
203.07156	15.0
204.07455	0.6
218.76468	0.5
221.08218	6.5
235.12013	0.5
235.30086	0.6
255.06647	6.5
277.21982	0.7
299.05548	2.7
323.12903	100.0
324.13235	9.3
391.19186	10.3
392.19431	1.0
509.06436	0.5
527.28558	3.0
647.23566	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	647.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59225	0.5
54.31337	0.5
62.54165	0.5
65.00323	0.6
65.90128	0.5
69.84540	1.9
75.91969	0.5
91.01907	27.2
92.02245	0.6
98.20667	0.7
109.02966	1.2
132.05826	23.6
133.06175	0.8
135.00903	49.8
136.01289	1.2
145.38858	0.6
147.22162	0.6
153.00764	0.9
153.01958	11.9
164.04822	13.6
187.11302	71.3
188.11664	4.1
197.75995	0.6
323.12918	100.0
324.13306	8.5
359.20282	0.7
445.05536	0.6
563.68384	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72058	0.1
57.03447	0.1
59.01381	0.2
63.61094	0.1
70.57034	0.3
78.95914	4.5
79.95750	3.5
85.02970	0.6
96.96024	100.0
96.96917	6.6
97.95965	0.3
106.25459	0.1
125.02461	0.2
130.95007	0.1
135.04529	0.1
138.62573	0.1
154.99902	0.1
162.24905	0.1
162.49928	0.1
167.03471	0.2
169.01627	0.1
191.02077	0.3
209.03026	0.2
235.04077	0.1
256.53275	0.1
298.04810	0.2
299.05399	0.2
327.05209	0.6
357.06363	0.2
447.09470	0.2
609.14539	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98819	0.6
54.26713	0.6
57.03444	2.9
58.00606	1.2
59.01387	100.0
60.01718	0.7
61.98846	4.6
69.03454	1.8
69.81705	3.3
71.05018	3.8
73.15291	0.6
83.05025	2.1
85.02959	4.4
87.04532	2.6
99.04559	0.6
101.06094	11.3
121.32224	0.6
155.14397	1.0
164.27574	0.6
169.15971	1.9
171.10306	2.1
178.68317	0.7
181.16020	1.0
183.17543	13.9
184.17853	0.7
185.15469	1.4
195.17549	1.6
197.19151	3.0
199.17053	1.2
211.17058	1.4
211.20683	1.1
213.18614	19.8
214.18942	1.2
223.20706	2.7
225.18581	1.4
226.84315	0.6
227.19919	0.8
233.22708	2.2
235.20697	2.0
241.21788	2.4
243.19826	0.6
251.23871	5.7
253.21709	1.8
255.23280	2.5
271.22769	6.2
285.20798	2.3
285.24048	0.9
295.23108	0.8
303.21774	9.0
313.23886	24.2
314.24271	1.9
315.25482	6.9
329.23358	2.2
331.24933	80.2
332.25226	6.8
341.26941	2.0
345.22800	2.1
347.24088	0.9
357.26425	0.9
358.19540	0.7
359.27979	5.1
373.25925	13.3
374.26260	1.4
389.25201	1.0
401.29129	1.0
440.41751	0.7
609.35876	0.7
627.48523	10.7
628.48944	1.0
645.49518	39.1
646.49750	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	645.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.5
59.01385	14.7
61.98844	0.5
67.01912	0.9
71.01392	6.6
71.54908	0.5
72.01711	0.5
73.02961	1.4
79.05531	0.6
83.01409	1.1
85.02964	4.4
85.04102	0.6
87.00900	0.8
89.02435	3.4
94.03043	0.4
95.01432	0.6
95.05038	0.8
96.96028	4.7
99.00872	0.8
99.66910	0.4
101.02451	4.4
103.26416	0.4
107.03773	0.5
108.04631	0.6
113.02459	4.4
119.02773	0.5
119.03533	1.5
120.04585	3.0
121.05349	1.9
122.06140	5.7
122.98636	0.5
123.04551	0.5
123.85303	0.5
125.02428	0.4
128.03542	1.4
129.01961	0.5
134.06175	2.1
135.06906	1.1
135.08200	0.9
136.05379	0.6
136.07697	11.7
136.08667	0.8
137.02522	0.4
143.03554	0.6
144.04561	1.5
146.06052	0.4
149.04492	0.5
149.60954	0.4
151.07657	2.6
157.06288	1.0
161.04587	1.5
161.07237	1.0
162.05667	1.0
165.02003	0.9
171.11792	1.9
176.57516	0.4
179.05624	1.2
189.10422	0.6
189.12953	0.7
191.01985	1.0
191.05113	0.7
195.06670	0.6
198.09203	2.3
199.10056	1.5
203.05890	2.1
209.03075	0.5
209.11795	0.6
214.07437	1.2
214.12387	11.1
215.12769	0.7
227.08226	2.7
228.09067	0.8
229.09837	5.5
230.11935	3.1
241.09862	8.6
242.10620	16.2
243.11000	0.6
256.12122	1.1
257.12973	83.1
258.13315	5.2
274.09811	0.5
283.10855	1.1
285.04153	0.6
293.04697	0.5
300.11261	0.7
301.11951	100.0
302.12311	6.7
316.36615	0.5
320.09210	2.9
325.12018	1.0
343.13019	4.7
541.20483	0.5
543.28131	1.3
613.22571	0.8
627.37897	0.9
645.31189	0.7
645.39600	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	1.3
61.98842	4.5
69.71203	5.6
70.76674	0.9
71.01389	0.9
74.31355	0.9
85.02962	3.0
96.96032	2.8
96.96971	1.0
98.20627	1.8
109.02972	1.5
125.02443	1.2
129.01999	1.0
133.02977	6.6
135.04575	1.2
147.04398	0.9
163.00322	1.3
163.04005	3.1
175.03958	2.0
191.01941	2.0
191.03511	2.3
193.01489	1.5
198.16386	0.9
201.02032	1.5
209.02931	1.5
253.04948	1.2
255.03128	1.1
255.06664	1.6
284.03293	8.4
285.04129	5.2
288.77408	1.0
297.04050	13.1
298.04803	9.1
299.05600	15.2
309.03687	1.1
311.05658	2.0
327.05124	100.0
328.05374	8.2
339.05182	2.3
357.06155	21.5
369.06097	2.1
447.09384	96.7
448.09763	9.7
489.10498	16.9
490.10913	1.9
519.11438	1.3
609.14600	13.9
610.15125	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.5
59.01371	1.9
71.01382	1.3
72.22858	0.9
75.00864	1.1
85.02968	5.5
88.37054	0.9
96.96028	5.3
125.02467	2.0
132.04550	0.9
133.02936	6.3
147.04552	1.1
149.02452	2.0
155.17175	1.1
163.00394	1.0
163.04010	2.2
165.01939	1.9
175.04033	2.1
191.02026	5.5
193.01591	1.1
209.03038	1.5
225.05424	1.5
240.04634	1.1
241.05054	1.3
253.04971	1.1
269.21933	1.1
284.03391	6.2
285.04095	7.1
297.01028	1.6
297.04099	17.2
298.04874	18.8
299.05655	16.5
311.05496	2.1
325.03625	1.4
327.05130	100.0
328.05566	8.0
357.06201	27.1
358.06677	1.1
369.06265	2.6
447.09381	72.4
448.09637	5.9
489.10468	9.0
519.11487	2.5
609.14679	52.1
610.14954	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	645.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73371	0.5
55.01875	1.6
57.03460	10.6
59.01383	9.9
61.10315	0.6
61.98811	1.3
64.46024	0.4
68.99821	1.0
69.70493	3.1
71.01389	8.0
72.99312	2.3
75.00882	2.9
75.16948	0.5
78.95911	0.7
79.95747	0.6
81.03465	0.6
81.99837	0.5
83.01408	2.1
84.02177	2.6
85.02962	100.0
86.03300	2.3
87.00890	2.8
89.02443	2.6
96.96027	8.5
96.96970	0.7
99.00924	0.6
99.04532	1.0
101.02485	0.8
103.00391	1.7
110.98786	0.6
111.00821	0.6
113.02435	0.9
114.57333	0.5
115.00399	1.2
121.02963	0.7
125.02449	3.7
129.01964	13.7
133.01466	3.4
135.04552	0.6
137.02440	3.9
147.03012	9.8
150.03384	0.5
163.04135	0.6
165.01892	2.8
167.03564	3.6
167.04881	0.7
169.85829	0.6
172.81505	0.5
173.00932	1.5
173.06166	0.7
175.12173	0.5
187.07622	0.6
191.02000	80.9
192.02301	2.7
193.01456	0.6
193.05124	0.7
197.06085	2.4
199.04031	1.2
200.04625	0.9
201.05757	0.8
208.03819	0.7
209.01060	1.3
209.03047	22.9
210.03374	0.9
213.05609	1.7
214.06421	1.0
215.07182	7.4
217.05040	3.1
223.06206	1.6
225.05551	5.1
226.06107	0.8
227.03568	2.2
229.05006	0.7
241.05096	3.3
243.06622	11.2
243.08922	0.9
255.06729	1.4
263.03473	0.7
265.05020	0.6
267.02957	0.6
269.04739	1.0
271.06186	1.7
283.06223	1.1
287.05685	3.1
297.07773	0.7
315.05051	4.9
323.09323	1.6
327.05035	1.0
347.09247	0.6
348.74570	0.7
367.08218	1.2
391.08337	2.3
409.09271	5.5
417.05896	0.6
435.07086	2.4
453.08301	16.3
454.08548	2.6
474.66449	0.5
542.74231	0.6
547.72040	0.6
627.10114	2.2
645.10834	4.5
645.26526	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85321	0.5
55.01879	2.1
57.03456	13.1
57.33698	0.5
59.01385	9.1
68.99797	0.5
69.18786	3.3
69.19201	1.6
71.01386	7.5
71.68244	0.6
72.99318	1.4
73.02940	0.5
75.00876	1.9
76.06474	0.5
81.01127	0.5
81.03458	1.1
83.01398	2.5
84.02175	2.8
84.72186	0.5
85.02959	100.0
86.03294	1.6
87.00872	2.3
89.02469	3.1
95.05045	0.6
96.96018	6.5
98.19849	1.0
99.00897	0.6
99.04490	0.6
101.02446	0.8
103.00369	2.1
111.00889	0.6
115.00383	2.0
125.02450	3.4
129.01958	13.7
130.02213	0.6
133.01434	3.6
137.02431	2.5
147.03008	9.1
149.02504	0.6
165.01971	2.5
167.03474	4.6
173.00935	1.2
173.06087	0.6
185.06055	0.7
191.01994	77.0
192.02344	2.1
196.05228	0.7
197.06114	2.6
199.03990	0.7
199.07629	0.6
201.05515	1.1
209.03041	25.3
210.03419	0.8
212.04893	0.6
213.05592	2.1
214.06332	1.1
215.07143	9.5
216.07434	0.7
217.05057	3.1
225.05589	3.7
227.03427	2.5
228.04221	0.9
241.05103	4.2
243.06619	13.0
244.06969	0.8
251.06860	0.6
253.05000	0.7
255.06496	1.1
259.06201	0.8
265.05148	0.7
266.05658	0.7
267.02887	0.9
269.04510	1.2
271.06125	2.2
283.06140	1.4
287.05609	4.5
292.07657	0.5
297.03943	0.7
305.08316	0.7
311.80170	0.5
315.05215	5.8
327.05173	1.2
345.07755	0.6
347.09418	1.0
349.07181	0.7
363.08612	0.5
367.08102	1.4
374.94000	0.6
391.08350	1.8
409.09277	5.7
435.07410	1.8
453.08334	16.6
454.08588	1.5
605.39429	0.6
627.10101	2.5
645.10730	4.4
646.12384	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	13.5
62.14605	3.5
70.15079	3.1
81.03457	3.7
83.01382	5.4
85.02958	11.9
96.95994	4.0
99.70865	3.2
109.02980	13.7
113.02468	5.9
121.02964	8.3
122.03752	15.0
123.00944	4.0
125.02460	100.0
137.02463	24.4
139.04030	14.4
140.15643	3.2
149.02469	8.9
161.02420	3.6
164.01230	7.2
165.01945	11.2
167.03545	11.1
175.03999	9.1
177.01947	74.4
179.03502	5.9
191.01952	3.7
199.03949	3.6
209.03076	3.8
219.06616	8.4
221.04565	5.7
237.02490	4.4
243.03073	6.2
254.36893	3.3
255.02980	16.3
282.01788	3.7
283.02463	13.3
297.04150	6.4
303.05029	9.5
305.06717	52.7
315.07193	10.0
369.06012	4.7
423.07214	70.4
424.07535	9.4
424.13486	4.1
441.08322	42.6
442.08734	4.2
483.09390	10.7
609.13092	36.7
610.13348	6.6
645.18506	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	643.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	0.4
59.01395	4.2
69.03470	0.6
70.99116	0.6
70.99436	0.5
71.01395	3.1
73.02975	1.1
80.02710	1.3
81.03495	1.3
83.01392	0.7
83.05037	5.0
84.02171	1.0
85.02978	1.0
87.00898	0.5
89.02461	2.8
94.15441	0.4
95.05038	1.0
96.96025	1.4
101.02460	3.0
101.16385	0.3
103.01404	0.3
109.06662	0.8
113.02456	1.8
119.03527	0.8
125.06152	0.5
127.63484	0.3
139.04012	0.4
147.11752	0.4
153.12880	1.6
161.04605	1.5
163.11290	2.8
165.12874	1.9
169.12367	5.3
171.10315	1.5
179.05592	0.5
179.10887	0.5
181.12378	0.8
191.10773	0.7
197.11861	92.6
198.12187	4.6
199.13414	0.5
201.11401	1.2
209.11855	100.0
210.12190	4.5
223.13492	1.3
226.70764	0.4
227.12915	15.8
228.13206	0.8
235.08269	2.9
235.13370	1.0
246.31062	0.3
253.09309	9.9
254.09689	0.6
364.27811	0.4
389.23398	1.0
415.19897	0.6
424.64975	0.4
433.20767	2.8
445.20883	1.2
529.65637	0.3
597.10620	0.3
607.31641	0.8
625.32471	0.9
643.31616	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81086	0.3
59.01386	4.0
60.22186	0.3
61.98848	0.8
69.03476	0.7
71.01393	3.9
71.67464	0.3
73.02961	0.9
75.00925	0.3
78.95912	0.5
80.02702	1.3
81.03484	1.2
83.01382	0.6
83.05035	4.3
83.05489	0.4
84.02190	0.6
85.02979	1.5
87.00908	0.9
89.02454	2.8
89.54409	0.3
93.03516	0.3
95.05073	0.9
96.96028	7.4
96.96968	0.5
97.02992	0.4
97.06618	0.4
101.02470	3.5
103.03996	0.3
109.06635	0.3
113.02467	2.1
119.03535	1.0
125.06098	0.6
125.09747	0.7
133.05109	0.4
135.08179	0.7
139.04013	0.4
141.09300	0.5
145.05051	0.4
147.11804	0.3
151.11249	0.5
153.09221	0.5
153.12880	1.4
161.04573	1.3
163.11307	3.5
165.12851	2.0
167.10788	0.3
169.12354	6.1
169.13693	0.5
171.10283	1.8
179.10771	0.7
181.12364	1.0
191.10815	0.7
197.11848	100.0
198.12184	4.8
199.13417	1.2
201.11351	2.6
209.11845	94.8
210.12186	4.5
211.13376	0.5
223.13428	1.9
225.11632	0.4
227.12903	15.5
228.13226	0.8
235.08252	3.2
235.13383	1.1
253.09297	10.5
254.09520	0.4
345.24387	0.3
389.23108	1.1
407.24197	0.4
415.19836	0.3
433.20724	2.9
434.21054	0.4
445.20551	1.4
463.21674	0.7
607.31073	1.2
611.24689	0.4
625.32043	1.1
643.32990	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	6.1
59.01381	11.4
59.16380	2.9
69.03468	6.8
69.66197	2.6
70.87014	6.4
71.01385	19.6
72.99322	9.8
73.02962	13.4
75.00887	6.3
78.95913	39.3
83.01408	7.0
84.41933	2.8
85.02961	74.8
87.00884	100.0
92.92818	59.2
94.92520	35.6
95.01380	8.7
96.04551	3.6
96.92229	4.5
96.96979	5.0
97.02960	26.9
103.04041	8.6
105.01940	3.4
108.90209	29.4
110.89935	26.0
112.89607	3.7
113.02454	43.5
115.00374	12.4
118.22396	2.9
127.49075	3.0
131.03566	3.5
131.04610	4.5
135.03067	3.6
135.35384	2.6
143.07774	2.7
149.04590	18.6
157.01428	11.0
165.04147	2.8
175.02499	64.6
191.01956	13.7
195.05122	4.7
209.06738	2.8
217.03552	25.8
226.17079	3.1
283.72507	2.9
303.07257	32.3
321.08270	11.3
479.10284	8.1
497.11731	4.3
539.12927	15.4
625.16345	14.4
643.17334	36.5
644.17456	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	643.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.4
57.03455	5.7
59.01376	7.5
60.86678	0.7
67.01891	0.8
68.99825	1.1
69.03465	5.6
70.80898	1.5
71.01386	18.5
72.99325	2.3
73.02563	0.9
73.02955	15.2
75.00924	0.7
78.95905	1.4
81.03478	1.3
83.01391	5.1
83.05019	1.1
84.02174	0.9
84.46181	0.7
85.02960	62.7
87.00888	100.0
88.01220	1.3
95.01398	9.6
97.02962	29.1
99.00892	1.7
99.04538	0.9
99.72202	0.6
101.02454	1.4
103.04022	10.5
105.42009	0.7
109.02949	1.9
110.17561	0.6
111.00917	1.9
113.02464	46.8
114.02760	0.9
115.00388	11.4
115.04007	2.3
127.04005	0.9
129.01965	2.6
131.03535	0.7
139.00392	1.9
157.01439	10.6
173.04512	3.2
175.02499	73.0
176.02850	1.6
191.05666	0.8
217.03549	26.6
218.03813	1.1
235.04646	1.3
303.03781	1.6
303.07236	32.2
304.07553	1.9
309.65079	0.7
321.08313	12.8
326.74307	0.7
360.50940	0.6
381.10034	1.0
400.75226	0.7
434.94000	0.6
447.77173	0.8
475.65430	0.8
479.10464	12.7
480.10867	1.3
484.22726	0.7
485.15103	0.7
497.11493	2.2
539.12543	19.6
540.13300	1.7
544.93384	0.7
625.16266	15.9
626.16516	1.5
643.17322	42.7
644.17725	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	642.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24449	1.5
59.01372	1.3
61.29005	1.2
69.21210	1.2
71.01396	1.3
81.67146	1.3
85.02962	2.7
88.98803	1.6
102.88902	1.6
109.02952	1.8
125.02423	1.8
133.02972	5.0
139.04021	1.4
153.01920	1.4
167.03508	1.5
175.04019	2.7
177.01872	2.1
179.03401	1.7
191.03471	1.5
213.05267	1.7
230.40742	1.8
297.04056	1.9
298.04919	6.2
299.05573	2.2
311.05621	4.0
312.06357	5.8
313.07022	5.2
323.05063	1.6
325.07419	1.7
327.05054	3.2
339.05051	6.8
341.06628	2.1
353.06259	2.9
369.01752	2.4
369.06183	31.4
369.10812	1.9
370.06586	3.0
381.06229	3.7
399.07193	28.2
400.07758	1.8
411.07034	3.9
429.08252	5.1
449.12491	1.5
459.09232	5.4
471.09021	2.5
489.10382	11.4
505.10468	1.8
519.11194	1.6
579.13586	100.0
580.13916	13.8
642.18982	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	642.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24449	1.5
59.01372	1.3
61.29005	1.2
69.21210	1.2
71.01396	1.3
81.67146	1.3
85.02962	2.7
88.98803	1.6
102.88902	1.6
109.02952	1.8
125.02423	1.8
133.02972	5.0
139.04021	1.4
153.01920	1.4
167.03508	1.5
175.04019	2.7
177.01872	2.1
179.03401	1.7
191.03471	1.5
213.05267	1.7
230.40742	1.8
297.04056	1.9
298.04919	6.2
299.05573	2.2
311.05621	4.0
312.06357	5.8
313.07022	5.2
323.05063	1.6
325.07419	1.7
327.05054	3.2
339.05051	6.8
341.06628	2.1
353.06259	2.9
369.01752	2.4
369.06183	31.4
369.10812	1.9
370.06586	3.0
381.06229	3.7
399.07193	28.2
400.07758	1.8
411.07034	3.9
429.08252	5.1
449.12491	1.5
459.09232	5.4
471.09021	2.5
489.10382	11.4
505.10468	1.8
519.11194	1.6
579.13586	100.0
580.13916	13.8
642.18982	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	641.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21579	1.1
59.01378	3.8
61.98837	5.6
68.34780	1.4
68.99856	1.7
71.45098	1.3
75.19453	1.2
77.33227	1.2
82.95421	21.4
103.21471	1.1
119.05029	10.7
133.06581	1.4
175.00377	1.6
185.06143	1.3
186.03256	1.4
188.04736	1.7
189.05536	1.8
190.06314	1.6
196.43666	1.3
199.07677	1.4
201.05638	2.9
203.07135	1.8
207.06709	1.4
215.07175	1.9
218.05850	3.0
221.36124	1.4
229.04945	2.1
229.08746	1.4
229.12294	1.6
231.06702	2.9
243.06602	11.4
243.10202	2.3
244.07150	2.0
271.09875	2.1
273.54025	1.2
297.07645	1.5
301.10828	2.8
309.07651	4.6
353.13766	3.8
363.12216	2.0
365.13931	2.2
377.13983	14.8
378.14261	1.9
405.17108	3.0
420.19473	1.8
421.19958	2.3
435.18228	12.4
503.24210	3.9
555.32300	1.4
641.38507	100.0
642.38794	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	2.7
57.03456	15.2
58.00611	0.8
59.01384	10.2
59.02039	0.6
60.77784	0.5
61.98586	0.6
61.98845	6.2
65.11861	0.5
65.39494	0.5
66.94028	0.6
68.99818	0.8
71.01393	7.9
72.99308	1.2
73.02959	1.4
75.00882	3.5
77.43967	0.6
83.01397	1.7
84.02177	2.7
85.02963	100.0
86.03287	1.8
87.00885	2.6
88.98838	0.9
89.02459	2.3
90.00294	0.6
90.88806	0.5
96.96021	2.6
99.00928	1.2
101.02451	3.2
103.00385	1.8
111.00888	0.9
113.02470	1.7
116.92883	1.5
119.05041	0.7
125.02471	1.6
129.01961	10.4
135.04582	0.6
143.86592	0.6
147.03017	10.1
151.00439	0.7
163.04010	1.0
167.03569	0.7
173.00948	0.9
178.50993	0.6
191.01997	63.4
192.02357	2.3
199.88599	0.8
209.03056	2.0
214.86009	0.6
223.53168	0.5
231.16083	1.7
287.22168	1.8
311.05533	1.0
314.04337	0.7
431.26587	1.5
449.27612	8.0
450.28207	0.8
500.84454	0.7
537.32739	1.0
579.29962	1.0
623.29236	5.7
641.30157	10.4
642.31055	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.3
60.99316	15.5
61.98833	2.9
62.39541	0.3
71.01393	2.1
72.99306	0.4
73.02952	0.6
75.00893	1.7
81.03472	0.5
83.05044	0.8
85.02953	2.3
87.00898	0.7
88.98820	100.0
89.02458	1.1
89.99155	0.9
95.01370	0.4
96.96053	0.5
99.00894	0.7
101.02474	0.8
113.02448	1.5
119.03545	0.4
120.01276	0.4
152.15994	0.3
152.78781	0.3
165.12798	0.3
174.80336	0.3
183.13846	0.4
191.02002	0.4
199.13434	0.8
225.16048	0.3
227.12985	1.3
249.06255	0.8
267.07306	0.4
301.61124	0.3
389.18198	0.5
391.26962	0.6
630.59094	0.3
641.26221	5.5
641.34082	0.7
641.41339	1.4
642.27014	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.5
55.76924	0.8
57.03457	12.9
59.01380	9.8
61.98833	3.1
63.94029	0.9
71.01407	5.8
72.99325	2.0
73.02940	1.2
75.00878	5.4
78.95940	0.9
83.01391	3.0
84.02168	2.8
85.02961	100.0
86.03294	1.4
87.00845	1.8
89.02469	1.2
94.27319	1.1
96.96017	8.6
97.06681	1.0
98.19901	3.2
99.00873	1.1
99.22651	1.0
101.02437	1.2
103.00400	1.7
106.04259	1.0
109.75120	0.8
111.00870	2.3
113.02454	1.4
125.02453	3.8
129.01950	9.0
135.04584	5.6
135.90553	1.0
136.05327	14.2
137.05847	1.0
147.03004	8.7
149.06096	2.2
150.06863	1.0
151.00427	1.1
164.08466	1.6
165.02155	1.0
165.09268	6.7
167.03392	0.9
173.00937	2.1
179.03545	2.7
179.05450	1.0
191.01996	83.0
192.02309	1.3
195.10271	0.9
197.11835	1.2
201.71643	0.9
209.02963	1.5
209.11891	3.3
209.85210	0.9
211.13431	1.2
218.68671	0.9
255.03351	1.2
257.04742	1.1
267.07074	1.0
283.02237	1.2
287.22302	2.9
353.05106	3.7
417.24921	5.0
461.24118	3.5
461.32742	1.6
479.24976	39.5
479.33752	23.6
480.25156	3.4
480.33798	2.7
641.28333	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	639.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.9
57.03445	2.8
58.00593	1.9
59.01387	19.9
61.98842	7.0
62.94684	0.8
65.03966	2.6
71.01389	19.5
71.54581	0.9
71.54992	1.1
72.99316	1.4
73.02947	4.7
78.95917	21.7
81.03457	1.0
83.01409	2.2
83.05042	6.8
85.02964	5.3
87.00874	7.8
89.02467	8.3
95.01400	2.1
95.05016	1.0
96.96039	2.4
96.96970	1.3
97.02930	1.3
97.06595	2.8
99.00875	1.7
101.02458	11.1
102.84090	1.0
107.08706	1.1
109.06613	2.3
111.04531	1.0
111.08159	3.2
112.19324	1.0
113.02469	8.3
113.69547	1.0
119.03477	1.3
119.05035	1.0
123.08175	2.4
125.02445	2.2
125.09736	10.8
131.03551	1.0
135.08173	1.9
137.09743	2.7
143.03516	1.9
145.05103	4.5
152.99608	14.3
158.91203	0.9
159.11748	0.9
161.04562	4.2
163.11307	1.6
171.10294	41.7
172.10574	2.3
179.05617	1.9
183.13960	2.3
185.11852	2.0
187.14906	2.2
189.16493	1.6
193.12354	1.3
204.87234	1.0
205.15996	3.6
207.13901	1.9
209.11847	34.1
210.12167	2.1
211.13428	37.9
211.15465	2.0
212.13788	1.9
215.14410	12.5
216.14732	1.7
221.15524	2.5
227.12898	2.4
231.13965	3.7
233.15483	43.7
234.15840	2.6
235.08253	8.7
249.14996	22.1
250.15221	2.2
251.16510	2.9
253.09279	4.8
281.17676	1.5
294.51974	1.2
309.20859	1.1
313.25296	1.4
323.23746	2.4
331.26480	2.9
341.24896	4.5
347.12573	1.9
359.25803	2.1
363.12091	3.0
367.22635	4.0
375.25238	6.0
379.15338	3.0
385.23868	26.3
386.24039	2.6
393.26151	2.4
395.14697	2.7
403.24930	37.4
404.25589	5.1
421.26065	10.2
422.04620	1.1
422.26492	1.4
477.29291	1.4
485.23593	1.9
563.22876	2.2
564.22906	1.2
575.26343	6.2
576.26276	1.3
607.29504	5.8
611.34058	2.3
621.32837	100.0
622.33209	19.1
639.08331	2.1
639.33856	39.0
640.34143	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	639.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.7
59.01385	9.9
61.51778	0.5
61.98842	2.8
67.01897	0.8
68.99821	0.9
69.03451	0.9
71.01391	11.8
71.54968	0.8
72.99300	3.8
73.02950	2.2
75.00880	11.6
83.01397	1.2
85.02956	18.9
87.00880	3.6
87.04508	1.0
88.98832	1.2
89.02467	2.5
93.03451	0.5
95.01411	3.3
96.96012	2.5
97.02954	0.6
97.06606	0.9
98.95579	0.6
99.00887	8.1
101.02449	1.5
103.00353	0.6
107.05009	0.5
111.00867	0.6
111.08138	0.8
113.02455	9.4
115.00388	1.6
117.01945	1.5
119.03505	0.7
120.01238	0.7
123.04547	0.8
125.02421	1.1
125.09724	1.8
125.22273	0.6
125.78041	0.6
126.18188	0.5
129.01932	1.7
129.25163	0.5
135.08229	0.5
137.09668	0.8
139.11273	1.1
147.02968	0.8
157.01492	0.6
157.12328	0.7
171.10278	2.6
175.02495	1.0
185.11855	3.6
186.16689	0.5
191.01999	4.5
201.11343	2.0
209.02950	1.1
213.11259	0.9
215.12895	20.6
216.13159	0.6
231.05072	0.8
239.05467	0.6
243.16031	1.1
249.06157	7.9
250.06732	0.7
267.07211	0.6
267.54373	0.6
273.11282	0.7
283.19144	0.5
293.21164	0.5
301.20273	3.6
327.21896	0.7
329.23282	1.7
341.23267	1.9
353.05115	0.5
357.10043	0.7
371.24298	2.3
387.10825	0.7
389.25464	18.4
390.25888	0.7
417.12134	0.8
451.18033	1.6
465.19565	0.7
477.16391	1.7
507.28580	0.6
579.29730	0.7
595.32361	0.7
621.31311	1.4
639.32349	100.0
640.32617	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	639.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.7
59.01385	9.9
61.51778	0.5
61.98842	2.8
67.01897	0.8
68.99821	0.9
69.03451	0.9
71.01391	11.8
71.54968	0.8
72.99300	3.8
73.02950	2.2
75.00880	11.6
83.01397	1.2
85.02956	18.9
87.00880	3.6
87.04508	1.0
88.98832	1.2
89.02467	2.5
93.03451	0.5
95.01411	3.3
96.96012	2.5
97.02954	0.6
97.06606	0.9
98.95579	0.6
99.00887	8.1
101.02449	1.5
103.00353	0.6
107.05009	0.5
111.00867	0.6
111.08138	0.8
113.02455	9.4
115.00388	1.6
117.01945	1.5
119.03505	0.7
120.01238	0.7
123.04547	0.8
125.02421	1.1
125.09724	1.8
125.22273	0.6
125.78041	0.6
126.18188	0.5
129.01932	1.7
129.25163	0.5
135.08229	0.5
137.09668	0.8
139.11273	1.1
147.02968	0.8
157.01492	0.6
157.12328	0.7
171.10278	2.6
175.02495	1.0
185.11855	3.6
186.16689	0.5
191.01999	4.5
201.11343	2.0
209.02950	1.1
213.11259	0.9
215.12895	20.6
216.13159	0.6
231.05072	0.8
239.05467	0.6
243.16031	1.1
249.06157	7.9
250.06732	0.7
267.07211	0.6
267.54373	0.6
273.11282	0.7
283.19144	0.5
293.21164	0.5
301.20273	3.6
327.21896	0.7
329.23282	1.7
341.23267	1.9
353.05115	0.5
357.10043	0.7
371.24298	2.3
387.10825	0.7
389.25464	18.4
390.25888	0.7
417.12134	0.8
451.18033	1.6
465.19565	0.7
477.16391	1.7
507.28580	0.6
579.29730	0.7
595.32361	0.7
621.31311	1.4
639.32349	100.0
640.32617	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	639.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03556	2.4
59.01162	2.6
59.01494	10.0
61.98936	0.8
67.02010	0.8
68.99924	1.0
69.03570	1.5
71.01080	3.2
71.01518	12.7
72.00041	0.6
72.99441	4.0
73.03052	1.4
75.00545	2.5
75.01015	13.9
83.01083	0.7
83.01517	1.5
85.02544	2.3
85.03107	15.5
87.00446	0.9
87.01036	7.0
89.02604	4.2
93.03547	0.9
95.01545	3.2
99.00327	2.8
99.01048	21.4
99.04664	0.7
101.02561	1.2
103.00487	1.2
109.03102	1.0
111.01005	1.3
111.08332	2.5
113.02630	18.4
115.00519	1.4
117.02131	2.2
129.02110	1.3
139.00514	0.6
156.11681	0.7
157.01422	3.5
165.12866	22.7
166.13393	1.2
175.02701	2.3
183.12430	2.0
183.13914	56.3
184.14357	1.6
191.02193	0.6
205.07166	0.9
207.05266	0.9
209.12016	2.6
227.12880	9.7
229.41647	0.8
231.05280	0.7
249.06186	14.5
267.07220	17.5
268.07690	1.1
301.16702	2.7
389.25558	1.2
415.19705	8.4
459.18790	30.1
460.19147	2.4
477.19806	100.0
478.20117	7.2
519.20929	4.1
579.30469	1.3
639.24835	31.7
640.24951	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	639.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.6
58.00594	1.1
59.01391	23.0
60.99321	2.4
67.01914	1.1
68.99823	1.1
69.03462	0.7
71.01392	20.8
72.99314	5.3
73.02953	1.1
75.00880	12.6
81.03487	0.6
83.01408	1.2
85.02967	16.3
87.00899	5.8
88.22201	0.6
88.98819	12.8
89.02457	8.7
93.03501	1.0
95.01400	3.5
96.96054	1.1
98.66539	0.6
99.00896	7.5
101.02465	6.0
103.00426	1.5
113.02467	18.0
115.00359	1.5
117.01979	1.8
119.03538	2.6
121.03046	1.1
121.07781	0.6
123.04550	0.7
129.01982	0.9
134.03770	4.5
147.11850	1.0
149.02513	1.7
149.06158	0.8
150.03232	4.8
151.04089	1.2
160.01767	0.9
161.02429	0.7
162.23096	0.5
165.05565	3.3
175.02547	1.2
175.03973	0.9
178.02840	0.7
181.05106	1.2
191.01939	0.6
193.05095	2.9
195.06656	0.7
205.07170	0.6
209.11865	5.4
227.13022	0.8
231.05118	1.0
249.06161	10.3
253.70520	0.6
267.07135	5.0
282.09225	0.9
371.17398	1.1
389.18198	6.5
390.18799	0.9
442.11584	1.0
443.11938	0.9
621.24683	1.3
639.25537	100.0
640.25989	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	639.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40289	1.7
56.03527	1.6
57.03453	2.2
59.01394	17.3
66.19759	1.6
67.81660	2.0
68.40031	1.8
68.99814	3.7
69.46269	8.8
69.46669	3.7
71.01389	22.6
72.99304	7.7
73.02934	2.1
74.73000	1.7
75.00887	18.7
79.82404	1.7
85.02962	22.6
87.00870	7.6
89.02444	3.9
93.03467	3.0
95.01399	3.8
99.00898	10.8
101.02446	2.2
103.00402	4.6
113.02473	18.2
115.00412	2.4
117.01925	2.2
120.99179	1.9
121.02953	5.6
122.03773	4.5
128.95239	1.9
129.01971	3.0
133.02893	2.9
134.03746	35.3
135.04439	3.4
137.02396	2.8
149.02449	11.3
149.06041	8.6
149.07153	1.7
150.03246	41.2
151.04054	11.8
156.02661	1.9
157.01358	2.4
160.01653	7.2
161.02411	4.9
165.05592	28.8
174.12408	2.3
175.02554	2.1
175.03935	7.5
178.02684	6.1
179.03467	2.8
179.07080	4.7
180.04274	2.6
181.05020	6.1
189.04057	2.0
191.01981	2.5
193.05107	23.1
195.06586	7.8
201.48193	1.9
206.67509	2.5
249.06198	24.3
250.06554	2.2
252.06436	1.8
267.07004	5.8
282.09198	2.3
285.03998	2.0
341.10220	3.8
381.11649	5.5
442.11169	7.6
443.12073	13.1
457.13361	3.0
607.16962	2.4
621.17981	4.0
639.19049	100.0
640.19733	11.7
662.91376	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	639.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92441	0.8
53.02348	0.7
55.01872	1.0
57.03436	3.0
59.01382	13.8
62.31934	0.7
62.52423	0.7
64.63036	0.7
65.53005	0.7
67.01884	1.0
68.99824	2.2
69.03451	2.3
69.25346	8.0
71.01386	17.6
72.99323	6.3
73.02940	1.7
75.00482	1.1
75.00879	16.7
83.01385	1.0
85.02471	1.2
85.02964	22.3
87.00880	5.9
89.02437	4.9
93.03459	2.0
95.01405	5.5
96.96006	0.8
99.00894	9.8
100.01162	0.8
101.02464	1.6
103.00365	2.3
108.02003	0.8
109.02911	1.1
111.00854	2.4
113.02464	19.5
115.00378	1.6
117.01936	2.8
117.03427	1.7
121.02950	2.5
122.03751	5.0
123.04526	3.0
129.01952	1.3
133.02975	4.9
134.03761	32.6
135.04626	3.9
137.02423	2.3
148.05159	0.7
149.02454	9.0
149.06084	6.8
150.03241	42.5
151.04053	6.9
157.01408	0.8
158.57170	0.9
160.01680	5.3
160.93394	0.7
161.02406	2.9
161.06143	1.0
163.65916	0.8
164.04779	1.8
165.05588	34.2
175.02425	2.2
175.03967	7.8
177.01884	0.9
178.02718	5.9
179.03429	1.7
179.07246	1.7
180.04254	2.6
181.05087	7.7
191.01924	2.9
193.03398	1.3
193.05069	23.4
194.05380	1.4
195.06642	7.3
207.05063	1.0
231.05061	2.0
249.06163	27.6
250.06528	1.3
252.06364	1.3
253.07137	1.2
267.07214	7.3
313.03329	1.8
327.04767	0.9
381.11826	3.4
399.12766	1.0
425.10895	1.4
441.10217	1.3
442.05765	0.9
442.11255	12.7
443.11945	12.3
444.12061	1.5
457.13345	3.0
530.86090	0.8
557.46692	1.1
621.18188	3.5
639.19092	100.0
640.19537	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	639.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.1
59.01125	1.0
59.01387	16.8
67.01881	1.8
68.99802	3.3
69.03458	2.6
69.94792	2.0
69.95197	4.3
71.01397	22.8
72.99324	6.5
73.02956	2.1
74.07613	1.2
75.00883	18.2
81.03458	1.7
83.01390	1.8
85.02960	22.2
87.00900	6.7
87.83859	1.2
89.02462	4.0
93.03476	3.4
95.01394	6.4
96.95956	1.2
99.00894	11.5
101.02396	1.3
103.00404	2.3
109.02913	1.5
111.00929	2.1
113.02461	16.7
115.00360	2.4
116.06617	1.2
117.01945	2.1
119.05001	1.1
121.02969	3.6
122.03741	3.3
122.16200	1.4
123.04516	3.2
129.01959	2.4
133.03017	6.6
134.03764	49.1
135.04568	7.9
137.02435	1.9
147.04550	1.5
148.05246	1.4
149.02466	9.2
149.06093	10.2
150.03258	22.2
151.04047	7.4
157.01469	1.5
160.01660	6.9
161.02385	2.5
165.05595	15.6
167.51743	1.1
175.02470	2.7
175.04008	10.5
178.02719	8.4
179.03479	2.6
179.07089	1.6
180.04340	1.3
181.05000	3.0
191.01996	3.3
192.04399	1.3
193.05089	26.5
194.05376	1.5
195.06650	3.1
231.05112	2.9
247.06090	1.6
249.06180	44.8
250.06425	2.4
252.06429	2.4
253.07179	1.6
267.06915	3.6
267.09146	2.0
267.11624	1.4
282.09079	4.2
341.10324	7.9
366.17371	1.2
371.11234	1.5
381.11786	3.0
389.12521	3.4
399.13141	1.3
425.10764	1.9
442.11371	9.0
443.11951	6.7
497.12836	2.3
591.16901	2.4
603.16718	2.0
607.17188	1.8
621.18304	13.9
639.19293	100.0
640.19751	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	637.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29895	2.6
55.71819	2.8
59.01385	100.0
61.98844	24.5
65.22197	2.6
69.23643	15.6
69.24046	8.1
78.07929	2.3
78.91885	6.6
78.95909	3.3
81.06176	2.4
82.95439	14.8
96.96024	25.3
101.06099	3.7
151.66669	2.6
155.14410	3.0
197.19041	3.5
207.67020	2.8
225.22433	3.5
227.20100	4.1
255.23332	6.8
285.20691	8.5
287.22092	6.7
303.21811	6.4
312.04227	2.7
315.25391	33.7
316.25751	5.2
331.24838	3.2
345.22678	9.2
359.59357	2.9
583.45630	15.0
601.46857	60.4
602.47845	13.8
602.56628	3.0
637.39618	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	639.177
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02989	0.8
59.01395	1.1
66.17856	0.8
71.01395	6.4
71.53285	1.1
73.97068	2.1
78.95898	1.5
82.02993	3.6
85.02985	2.2
85.04086	26.3
86.02489	1.2
87.05656	8.4
87.33039	0.6
88.04052	5.2
96.96032	0.8
101.02457	0.8
102.00195	4.2
104.96872	0.9
108.84949	0.7
109.04116	1.7
113.03600	0.9
117.01296	2.2
119.02874	3.0
120.01256	0.8
122.03718	1.0
125.02516	1.7
127.05159	6.1
128.03558	62.9
129.03911	0.9
135.05681	4.4
136.04022	0.7
145.06209	1.6
152.08321	5.2
153.06696	3.8
157.06206	37.8
159.07756	3.7
166.06206	2.3
168.07838	0.8
169.06158	1.9
174.02316	11.1
177.01978	0.9
178.06155	1.8
179.04631	7.7
184.04970	1.7
184.07323	1.7
189.03409	1.7
191.04961	2.8
196.07327	9.9
197.05704	3.0
214.08296	2.3
224.10414	1.6
242.11491	1.1
248.07159	0.8
256.09354	0.8
268.09399	5.5
286.07217	0.8
286.10458	17.5
286.13370	1.4
287.10663	1.2
300.06689	0.9
302.08179	4.6
302.11588	0.7
318.07700	10.4
320.09235	100.0
321.09457	5.3
344.68973	0.8
352.06519	6.3
397.85519	0.8
510.13577	2.9
572.12903	0.8
619.94666	0.8
621.16681	2.7
622.91437	0.9
639.17615	25.9
640.17804	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.0
57.03414	1.5
58.00583	0.4
59.01387	13.3
59.01658	0.7
61.98790	1.2
68.99576	0.4
69.03447	0.9
71.01392	18.0
71.55009	0.4
72.99279	1.4
73.02958	7.2
75.00839	1.2
76.17748	0.4
78.95868	0.9
80.02673	0.8
81.03466	1.7
83.00935	0.4
83.01392	2.9
83.04587	0.3
83.05035	4.3
85.02969	8.0
86.00058	0.4
87.00873	2.2
89.01955	0.6
89.02456	8.6
95.01408	1.9
95.05006	0.7
96.96018	3.2
97.02918	1.5
99.00350	0.4
99.00888	3.8
101.02457	14.7
109.06560	0.4
109.33476	0.3
111.00886	1.8
112.98573	0.6
113.01758	0.5
113.02460	5.5
115.04019	0.5
118.67992	0.3
119.03561	1.7
121.02920	0.5
125.02460	2.3
125.06059	0.7
125.09741	0.9
127.11282	0.9
129.01895	0.7
131.03462	1.2
135.08162	0.7
143.03484	0.5
149.04515	1.5
159.03003	0.6
161.04568	2.7
163.11319	3.2
165.12967	1.7
171.10309	0.5
177.01901	0.6
179.05556	0.5
181.12317	0.6
191.05614	0.6
191.10779	1.2
205.12796	0.3
209.11850	100.0
210.12202	5.9
211.13416	0.4
233.06664	1.3
235.08321	0.9
247.13463	0.7
249.15063	0.7
253.09293	2.7
277.25345	0.9
293.04669	1.3
293.08887	0.5
313.27573	0.5
320.93604	0.3
339.23346	0.8
343.28552	0.9
344.67880	0.3
357.24796	0.4
373.23944	0.4
383.22437	1.3
401.23257	3.8
413.09082	0.9
419.24506	1.7
431.17636	0.4
445.21027	1.2
505.33868	14.7
505.40915	0.7
506.34464	1.4
557.27954	0.4
637.38654	46.4
638.38971	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	637.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74371	1.0
52.28542	0.9
57.03445	1.5
58.00590	1.8
59.01389	100.0
60.01707	1.0
69.03438	1.7
69.58143	6.4
71.01394	38.2
72.99325	2.4
73.02956	21.4
75.00883	1.1
83.01396	5.0
83.42107	0.9
85.02962	13.8
87.00858	1.6
88.98814	4.6
89.02453	26.8
95.01402	3.1
96.96017	0.9
99.00888	2.0
101.02457	25.0
113.02466	27.2
119.03524	10.1
131.03490	3.6
143.03488	4.8
147.04517	1.7
149.04564	2.8
161.04552	8.5
179.05643	7.5
205.01317	1.1
207.06703	1.8
221.06628	1.4
267.07040	1.3
336.61362	0.9
355.21072	1.1
368.05127	1.0
517.26630	50.6
518.26910	6.4
535.27649	27.0
536.27832	4.8
577.28680	19.3
578.28815	2.7
648.14758	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
57.03449	1.3
59.01389	11.5
61.98836	2.9
65.03965	2.8
68.99563	0.7
69.03448	2.1
71.01392	11.1
72.99287	1.1
73.02953	2.0
78.08722	0.5
78.95878	0.5
80.26890	0.5
81.03468	0.6
83.01406	1.2
83.05016	1.3
85.02965	3.5
87.00897	3.3
89.02451	4.4
91.05531	1.7
92.86028	0.4
93.03457	0.7
95.01389	0.8
95.05011	1.5
96.95988	0.9
97.02987	0.5
97.06595	2.0
99.00879	1.0
101.02450	7.2
105.07130	0.6
107.05009	0.9
109.06593	1.2
111.04467	0.5
111.08195	0.7
113.02456	4.3
115.05558	2.6
115.79377	0.5
117.07106	0.7
119.03515	0.6
119.04997	1.0
121.06584	0.5
123.08158	1.3
125.02444	0.8
125.09731	10.1
129.07091	0.5
132.05786	0.7
133.10229	0.5
135.08151	2.0
145.05070	1.9
161.04532	1.4
163.11266	1.2
171.10323	1.6
185.11873	3.3
185.13351	0.8
187.09735	1.5
187.14932	3.6
191.10779	1.4
195.11836	0.9
201.12880	0.9
203.14406	0.7
205.12267	1.0
207.10292	0.9
209.11835	12.1
210.12259	0.5
211.13406	1.0
213.12885	6.1
214.13300	0.6
215.10719	1.1
221.15515	0.7
227.14522	0.7
231.13927	12.1
233.11856	0.7
235.08247	1.9
235.13391	1.5
245.15424	0.7
247.13408	1.0
249.14919	2.3
253.09261	0.7
261.14981	1.1
273.15024	0.5
285.14816	0.6
329.24820	1.1
339.23218	2.2
355.22867	0.9
357.24295	1.5
365.21149	1.9
373.23788	2.0
383.17334	0.8
383.22293	14.2
384.22696	1.1
391.24924	1.2
401.06500	0.6
401.23337	14.3
402.23630	1.4
419.24435	4.0
445.20963	0.8
457.25812	1.0
494.17563	0.6
609.32635	0.8
619.31274	100.0
620.31708	13.6
637.32233	19.6
638.32605	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	637.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.5
59.01386	100.0
69.79612	4.8
69.80020	8.9
71.01391	51.4
72.99313	2.5
73.02961	12.0
75.00893	2.2
78.79684	2.1
83.01388	5.9
85.02959	26.8
87.00891	5.9
89.02451	35.7
92.85706	1.9
95.01418	3.4
96.96049	3.1
98.20634	4.1
99.00883	5.4
101.02465	30.7
113.02457	25.0
116.92869	5.5
119.03521	11.5
119.05030	4.3
124.29324	2.0
138.18861	1.9
143.03485	5.7
145.02982	8.2
146.03375	2.5
161.04544	11.3
179.05626	6.2
191.02081	2.7
206.08182	4.1
261.51495	2.4
267.07169	2.3
292.57669	2.6
372.53186	2.2
389.21921	5.4
415.23257	3.6
476.63931	2.4
533.25989	76.0
534.26312	7.7
551.27161	49.1
552.27350	7.2
593.28156	17.7
594.27917	2.8
639.04126	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	637.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.4
59.01126	2.0
59.01385	27.8
63.33814	1.5
69.03456	2.1
71.01385	21.2
72.99311	7.1
73.02968	1.9
75.00875	23.2
81.03439	1.7
83.01384	3.1
85.02467	1.7
85.02962	24.7
87.00862	6.6
89.02434	5.4
93.03450	2.3
95.01366	5.0
96.96011	1.9
99.00889	20.1
101.02417	2.0
109.02963	1.5
111.00896	3.2
111.04470	1.7
113.01879	1.5
113.02477	18.6
117.01925	2.9
129.01971	2.3
134.03737	1.9
137.02444	2.2
139.00345	2.6
149.05998	2.1
151.04033	25.6
157.01395	4.5
158.59267	1.7
163.03844	1.9
165.01891	3.0
165.05605	14.4
166.06358	9.7
171.03088	1.8
175.02434	2.6
175.72527	1.3
181.05029	2.7
181.08630	2.1
185.02170	6.4
207.06577	2.4
211.06094	7.0
225.07701	84.6
226.07967	3.0
231.05084	3.2
249.06186	22.6
267.07166	5.2
285.09784	2.7
294.53937	1.6
419.97980	1.6
443.11972	5.0
457.13629	20.2
458.14087	2.5
475.14594	49.0
476.14944	4.2
484.67328	2.2
637.19824	100.0
638.20148	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	637.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.7
59.01388	3.1
61.98824	1.4
64.92222	0.4
68.99574	0.8
69.43829	0.8
69.44241	2.2
70.37434	0.4
71.01386	1.7
73.02962	0.6
75.00872	0.9
77.03970	0.7
83.08916	0.5
85.02971	2.4
87.00863	0.4
88.47372	0.4
88.98780	0.5
89.02433	1.4
93.03455	1.4
95.01379	0.6
96.96013	3.1
99.00892	0.5
101.02448	1.0
110.27063	0.5
112.98594	1.4
113.02444	1.1
114.93427	0.5
116.92870	0.5
117.03478	16.7
119.05035	0.7
121.02972	2.1
131.01419	2.3
135.04521	1.2
137.02415	0.5
141.40837	0.4
149.02481	4.2
159.04576	0.8
161.02419	1.3
161.04649	0.4
163.04059	3.1
164.04784	1.7
165.01907	0.6
173.00980	0.6
173.02441	6.5
175.00397	8.9
179.07092	0.4
191.01912	0.7
191.03510	1.2
193.06575	0.5
209.06174	0.4
223.06152	0.8
224.04781	0.4
237.05666	0.6
239.07132	0.8
249.05580	1.2
265.05002	0.8
268.03894	1.0
269.04529	1.6
280.99518	0.4
281.04602	1.5
283.06146	21.2
284.06451	1.4
293.04590	100.0
294.04913	8.1
311.05640	36.3
312.05905	2.7
323.05655	1.6
335.05731	0.6
341.06772	2.7
373.26047	0.8
413.08817	58.7
414.09158	5.5
431.09857	39.7
431.16016	0.9
432.10233	3.8
637.23279	0.5
637.33527	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	636.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.4
61.01765	0.3
61.98837	100.0
71.01505	0.9
78.95905	1.8
96.96889	0.4
152.99666	1.0
185.15480	0.3
255.23380	1.3
274.67526	0.3
285.20743	0.9
287.22327	5.9
302.40659	0.3
303.21866	1.5
331.25024	0.9
345.22803	0.5
467.51953	0.3
555.42499	1.0
573.43774	5.5
574.44244	1.0
604.96838	0.4
619.36969	0.6
637.37195	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84731	0.4
51.85431	0.4
52.53438	0.4
59.01389	9.8
61.98838	100.0
64.68271	0.5
71.53963	0.7
78.95947	0.8
101.06117	1.5
117.68223	0.5
130.03711	0.5
132.44482	0.5
152.99603	1.2
218.35555	0.5
253.62889	0.6
269.21274	0.8
287.22583	0.8
303.21799	2.2
329.23499	2.0
365.81610	0.6
456.35550	0.6
555.42773	3.3
573.43713	23.3
574.43738	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	635.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73165	0.2
57.03453	0.3
59.01382	1.9
63.12007	0.1
64.21358	0.1
65.00314	0.4
66.49483	0.1
69.25370	1.5
71.01378	0.8
71.05016	0.1
74.18897	0.1
75.00906	0.3
80.89835	0.2
81.03466	3.7
83.01409	0.8
85.02957	0.8
87.00916	0.2
89.02455	0.4
95.01408	0.2
95.05028	0.2
96.96024	2.5
99.00889	0.2
99.08154	0.5
101.02431	0.4
101.06074	0.5
105.07098	0.2
107.01393	0.4
111.51807	0.1
113.02444	0.4
119.03543	0.2
121.02934	0.2
121.06547	0.2
123.08182	2.4
125.02461	3.3
125.05240	0.3
125.06099	3.5
136.05292	0.5
137.02478	0.2
137.06154	0.2
141.09198	0.2
147.08168	0.6
149.02429	0.4
150.06902	0.2
151.00424	0.8
152.01100	0.3
165.09224	20.0
166.09572	0.7
167.03436	0.2
171.10269	1.5
191.07147	1.5
201.11447	0.4
205.08813	0.2
209.08206	100.0
210.08540	4.1
213.01285	0.2
233.08180	0.4
251.09265	0.5
353.12582	0.4
371.13510	0.5
374.14310	0.2
385.25873	0.2
411.62985	0.2
423.22003	0.2
455.26257	0.2
531.32013	0.2
567.33899	0.2
591.31653	0.2
635.26642	5.1
636.27563	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.5
61.98799	1.1
63.58646	0.9
71.54300	1.0
71.54698	1.3
78.95892	1.1
91.01909	19.6
95.01411	2.2
110.14796	0.9
116.92896	1.2
119.05043	100.0
120.05347	3.1
121.02943	3.8
125.02547	0.9
132.05827	12.9
133.83171	0.9
135.00900	32.1
136.01167	1.3
137.02458	1.6
138.14377	0.9
145.02957	3.4
151.04005	3.6
153.01956	17.7
164.04813	11.4
165.09200	2.2
170.02177	1.6
187.11310	50.8
188.11690	2.9
206.99541	1.2
207.10297	6.7
213.14456	1.0
235.07837	1.4
236.08600	1.7
255.06587	3.4
273.35419	1.0
273.38925	1.1
291.13931	15.8
311.12924	59.0
312.13171	4.4
323.12924	56.6
324.13239	4.9
336.13327	0.9
379.19070	3.5
394.42435	1.0
634.37860	1.6
635.39032	2.0
656.85681	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	3.2
57.03452	3.1
58.00601	2.4
59.01389	100.0
70.98560	2.0
71.01393	66.9
72.99313	4.5
73.02956	21.2
75.00883	1.5
83.01397	8.4
85.02964	27.5
87.00897	4.7
89.02456	38.3
95.01405	8.2
96.96023	1.5
97.02993	1.9
99.00922	4.2
101.02454	35.4
111.00906	1.6
113.02466	49.5
114.02769	1.3
119.03516	12.8
123.82024	1.1
125.02455	2.0
131.03493	2.7
137.09744	1.7
143.03542	6.3
143.16391	1.1
147.30075	1.1
149.04604	2.1
159.03020	2.2
161.04570	18.1
165.05592	1.1
179.05653	7.5
189.12775	1.4
191.02026	3.1
195.06552	1.4
209.02965	1.1
225.14963	1.4
297.07745	1.8
353.06644	3.3
369.19208	4.0
383.07434	2.1
387.20264	2.5
423.38077	1.2
423.44040	1.3
459.09604	1.4
473.10788	1.2
531.24524	73.6
532.24890	7.9
549.25562	47.3
550.25800	5.3
575.13269	1.5
591.26642	12.0
592.27521	1.4
635.15350	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	635.2202
Annotation	Coelovirin C
Peak:m/z	Relative Intensity
55.01864	1.2
57.03451	2.8
58.00611	0.9
59.01385	15.7
68.99836	1.4
69.03448	1.8
71.01018	1.2
71.01393	19.9
72.99314	4.9
73.02948	1.7
75.00881	21.4
75.01518	0.9
78.95889	0.9
83.01382	1.9
85.02962	23.1
87.00899	7.2
89.02458	6.0
91.04018	0.9
95.01399	3.9
96.96016	9.6
98.19855	1.9
98.95595	0.9
99.00277	1.5
99.00898	19.9
101.02477	1.9
103.00381	2.6
111.00865	1.1
113.02464	26.5
115.00406	2.0
117.01945	2.4
119.05036	1.1
129.01920	1.9
133.10225	1.4
135.11818	6.3
149.04515	0.8
153.12320	0.9
157.01401	2.8
159.08148	3.5
159.46487	0.8
161.09749	8.5
175.02478	2.1
179.10791	17.7
191.01967	2.1
205.08858	1.1
207.05188	2.0
214.05980	0.9
223.09827	1.0
231.05034	2.3
249.06160	23.2
267.04333	1.8
267.07257	35.7
268.07578	1.1
352.30835	0.9
374.99231	1.0
411.16525	5.2
429.17688	16.3
430.18253	1.4
455.15610	17.4
473.16681	100.0
474.17059	9.9
515.17291	4.2
545.19116	1.8
575.20337	2.4
617.14783	1.1
635.21973	29.9
636.22186	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06054	0.9
50.32219	1.0
57.03448	3.1
58.00623	1.1
59.01385	21.3
64.47544	1.0
67.01868	1.2
68.99850	2.4
69.03459	2.6
70.46309	1.7
70.46658	3.0
71.01389	21.0
72.99322	6.0
73.02962	1.8
75.00883	22.2
76.01173	1.1
78.72287	1.2
81.03500	1.7
83.01408	1.2
85.02959	21.6
87.00883	7.8
89.02455	7.8
95.01401	4.4
96.96030	2.9
99.00887	27.5
101.02458	2.5
103.00397	2.2
109.02955	2.0
111.00883	1.6
113.02464	28.4
114.02773	1.4
115.00441	1.7
117.01985	2.0
125.79544	0.9
129.01985	2.5
133.10280	1.1
135.11824	8.2
139.00395	1.0
141.01981	1.3
153.01932	1.1
157.01416	6.1
159.08142	1.4
161.09715	7.3
162.61383	1.1
168.19946	1.2
173.79987	1.1
175.02493	2.1
179.10815	30.3
180.11099	1.4
186.71251	1.1
187.79588	1.0
207.28445	1.0
216.15073	1.2
227.08336	1.7
231.05148	4.7
241.09929	1.1
242.10576	1.4
244.81575	1.3
248.12590	1.1
249.06178	31.1
255.11171	1.6
267.07227	22.6
269.13083	1.8
411.16656	8.4
429.17624	20.1
430.17944	1.6
455.15616	19.6
456.16113	2.4
465.86227	1.0
473.16660	100.0
474.16983	11.7
484.90524	1.2
515.17719	6.3
516.18463	1.5
545.12573	1.4
556.51947	1.4
617.26581	5.5
618.26721	1.1
635.21942	31.2
636.22040	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	635.22
Annotation	Coelovirin C
Peak:m/z	Relative Intensity
55.01872	1.6
57.03453	4.2
58.00572	1.1
59.01385	22.0
67.01875	0.9
68.99810	2.5
69.03451	2.0
69.18797	4.1
69.19224	3.1
71.01389	30.8
72.99317	7.5
73.02926	2.3
75.00877	29.0
81.03425	1.3
83.01357	2.4
85.02960	30.3
87.00422	0.8
87.00893	10.3
89.02455	9.0
93.03437	2.4
95.01389	7.7
96.95986	2.3
97.02943	1.8
98.19932	1.4
99.00893	32.2
99.04511	1.5
101.02423	2.8
103.00346	2.8
109.02944	2.4
111.00861	2.5
113.02462	41.3
114.02755	0.8
115.00365	2.2
116.24304	0.7
117.01923	2.7
119.03517	1.0
129.01956	3.7
131.03471	1.0
133.10211	2.4
135.11842	10.2
139.00374	1.1
141.01898	1.3
146.07410	0.8
148.40750	0.7
150.67355	0.7
153.01909	2.2
157.01451	6.8
161.09735	6.4
169.05063	0.8
175.02464	3.7
179.10788	28.6
180.11037	1.5
199.02448	0.8
205.07196	4.0
205.08774	1.3
207.05093	1.0
214.73277	0.8
222.55081	0.8
223.09721	2.5
223.29657	0.7
231.05136	5.5
249.06174	32.7
250.06648	1.1
267.07245	61.5
268.07477	2.5
297.13397	1.1
350.43530	0.8
411.16611	11.9
412.16989	0.9
429.17673	36.4
430.18039	3.1
455.15643	22.2
456.15903	3.0
473.16678	100.0
474.17026	10.3
515.17731	4.9
575.20026	0.9
594.21002	0.9
618.70184	1.0
635.22070	30.7
636.22058	4.5
662.67029	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	9.4
59.01389	100.0
60.25233	10.1
69.30795	28.0
69.31196	68.7
71.01384	52.7
73.02940	13.7
85.02949	40.0
87.00887	12.0
88.98794	19.4
89.02468	18.8
96.96031	81.8
101.02438	19.3
113.02414	12.9
118.96957	11.2
125.09679	12.1
163.03983	14.4
171.10268	16.6
191.01929	14.7
207.10335	11.2
209.11795	11.4
249.06340	10.7
284.03418	52.9
299.05722	78.3
309.08929	11.6
443.65250	11.3
583.79675	10.8
610.30341	11.2
634.31561	42.6
635.32239	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03464	3.6
58.00571	0.6
59.01386	21.1
60.67021	0.5
69.29614	5.5
70.90281	0.6
71.01012	1.1
71.01390	17.8
72.99310	2.6
73.02944	2.6
75.00880	20.1
83.01390	2.7
85.02963	22.4
85.04056	1.3
87.00887	5.9
89.02452	2.4
95.01389	2.3
96.96024	7.2
97.02930	1.0
99.00882	7.3
101.02457	4.5
113.02461	22.4
113.18710	0.6
115.00362	1.9
117.01974	0.8
118.55857	0.5
119.05820	0.6
125.02441	1.5
128.03534	3.6
129.01952	1.4
157.06175	1.8
159.02927	0.8
161.04556	2.7
174.02409	0.6
175.02438	1.7
191.01968	0.7
194.59375	0.7
196.07320	1.3
209.02943	0.6
225.18286	0.7
320.09265	7.6
371.20840	1.2
479.81421	0.7
539.65686	0.6
589.25049	100.0
590.25385	9.2
633.27759	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.7
69.27010	12.7
69.27424	6.3
71.01395	3.5
73.02967	4.0
75.12357	2.2
95.81226	2.0
96.96032	12.2
107.03769	5.6
110.06133	12.0
113.02455	3.1
116.43073	2.5
117.35397	2.1
120.07407	2.7
120.08202	27.8
121.05367	4.0
122.06142	89.5
123.47717	2.1
125.02457	2.6
131.04388	2.3
135.08208	2.6
144.04584	3.8
174.05621	8.6
200.07063	2.5
203.05893	4.3
223.08815	4.6
225.14066	2.8
229.72337	2.7
236.09579	8.4
237.10388	10.5
239.12080	3.2
241.13518	4.6
249.10420	5.0
249.13956	5.3
250.07547	3.4
250.11134	7.1
251.11943	73.9
252.12439	11.1
263.08261	6.8
263.11880	7.3
264.09012	7.0
265.09937	4.3
265.13486	9.4
266.10611	3.5
268.08514	5.4
277.09860	23.7
278.10498	14.9
279.11295	5.6
281.09201	3.4
282.10086	7.1
283.10870	6.6
291.11444	27.8
292.12210	37.0
293.12994	34.0
294.13251	4.2
295.10889	2.9
295.71826	2.6
296.11517	3.6
301.11893	2.9
310.09036	2.4
313.11963	3.5
324.11209	10.4
335.10376	7.7
336.11169	9.9
337.11786	7.4
344.13821	3.9
345.14963	3.1
359.16370	2.6
360.17331	10.4
362.18625	4.0
370.19281	4.4
372.13818	2.3
372.17316	25.6
373.17685	4.9
374.18951	10.5
386.14990	3.2
390.18286	24.0
391.18524	3.2
392.20001	3.0
400.16360	2.7
402.18381	4.8
405.16711	3.6
406.17831	9.1
414.18369	19.9
415.18805	5.8
418.17908	19.6
419.18213	3.1
432.19406	23.0
433.19821	3.5
436.18793	24.7
446.21149	2.9
447.18304	2.3
458.17648	4.3
459.18039	7.4
476.18210	30.1
477.18869	13.9
478.19653	8.7
483.24191	3.0
490.19751	9.0
493.25922	4.4
495.23978	7.1
508.20969	58.8
509.21298	13.8
513.24884	13.1
525.25702	2.9
537.25226	14.2
555.26038	12.6
556.47815	2.5
558.25177	5.3
569.24103	4.0
581.24127	16.0
599.25159	56.1
600.25568	8.3
601.26782	4.4
613.26691	22.7
614.27234	3.9
631.27759	100.0
632.27972	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	631.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
66.68861	2.0
68.67188	2.1
70.81280	4.4
70.81621	2.8
77.15644	2.1
84.91357	2.4
88.22815	2.2
96.96024	2.6
97.02933	3.0
109.02973	5.7
123.04514	6.4
125.02467	5.4
135.04550	77.8
136.04919	3.2
151.03992	3.3
154.27785	2.4
179.03519	100.0
180.03894	5.2
203.07115	3.9
245.08041	3.9
289.07266	31.5
341.08783	27.7
341.37210	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	631.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38678	1.1
52.92711	1.3
59.01390	6.0
61.98843	5.9
71.53992	1.8
85.78921	1.5
96.96020	2.8
121.03007	1.1
125.02461	1.9
133.06613	2.2
148.01669	1.8
150.77367	1.1
161.02438	1.3
161.78874	1.2
163.04092	2.8
185.11818	4.8
189.01859	1.4
189.05594	1.8
205.05009	2.9
209.11880	4.8
211.13496	2.2
232.03746	4.0
233.04504	3.3
234.05324	1.8
243.53186	1.3
245.04352	1.3
247.06088	4.9
253.08949	1.4
263.07199	1.3
269.04376	1.3
271.02365	1.4
281.08154	1.9
283.02435	4.6
292.84714	1.3
298.01208	1.4
299.01947	2.6
304.68732	1.4
309.07715	10.9
310.01111	2.3
311.02039	4.0
313.03741	1.8
324.09952	3.1
325.03448	6.0
325.06985	2.6
326.07965	2.4
337.07452	2.4
339.12445	1.8
341.06622	1.7
346.19479	1.5
353.06635	4.9
354.07303	6.0
365.10132	1.6
368.09103	6.2
369.09784	28.1
381.06161	6.2
382.06839	2.4
383.07288	1.7
383.11423	13.3
396.08548	9.6
397.09256	20.8
398.09900	2.8
411.10849	35.5
412.11664	24.0
413.12421	5.9
425.12103	1.4
426.13266	9.8
427.13995	59.1
428.14276	6.3
506.13391	1.2
575.61090	1.2
616.17590	3.3
631.20313	100.0
632.20862	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	631.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71752	3.2
59.01387	100.0
68.02847	3.5
71.01385	23.7
71.54955	6.1
73.02960	6.1
73.14864	3.5
78.95893	3.5
83.26289	3.4
85.02945	25.3
87.00923	7.8
89.02471	4.6
96.96020	61.4
101.02445	9.0
106.43159	3.9
108.52958	3.6
113.02454	10.2
113.06087	4.6
115.00363	9.8
123.04590	4.4
125.02445	5.6
127.23246	3.7
131.07170	5.6
137.50574	3.3
147.03038	4.0
161.04533	4.6
175.02470	17.1
191.01936	6.5
209.03047	13.2
223.06238	3.8
247.09805	5.1
251.11952	3.6
269.10217	9.9
291.11487	11.0
496.79700	4.3
569.24646	4.4
599.25049	9.0
631.27283	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	631.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.7
80.05045	1.0
94.06594	2.2
95.05059	1.0
96.95993	1.5
105.05836	2.0
107.03796	5.9
110.06118	9.4
120.08205	45.9
121.05343	3.4
121.08556	2.0
122.06140	81.4
123.06487	2.1
130.06613	1.5
132.24957	0.9
134.06140	3.7
136.07651	2.2
137.04858	1.1
144.04552	9.3
152.07156	1.6
160.03992	2.5
161.04846	1.0
162.05589	1.7
164.07137	4.0
172.04051	1.2
173.04872	1.3
174.05595	8.0
185.04730	0.8
188.03572	2.7
188.07265	0.9
199.08815	2.0
200.07254	1.4
203.05920	7.2
203.11847	1.8
204.06618	1.4
209.10979	1.2
213.10323	1.3
215.11980	1.8
222.07973	1.2
223.08742	4.1
223.12373	1.3
224.09621	0.9
225.13974	2.6
229.02499	1.0
235.12413	1.4
236.09517	7.3
237.10320	9.0
238.11023	1.5
239.08257	1.6
239.11879	3.0
241.13503	2.8
243.14920	1.4
246.78778	0.9
247.08794	0.9
249.06462	0.9
249.10313	4.8
249.13950	3.7
250.07455	1.9
250.11113	3.6
251.11900	36.1
252.09132	0.9
252.12421	3.6
253.09816	2.7
253.13503	1.2
262.07498	1.5
262.10883	1.5
263.08322	6.6
263.11798	6.0
264.08990	9.0
264.12109	1.7
265.09717	3.4
265.13455	8.6
266.10519	2.9
267.07614	1.5
267.11563	1.0
268.08472	2.9
269.09167	1.5
275.12070	0.9
276.08997	9.2
277.09827	33.2
278.10541	14.7
279.11325	6.5
280.12064	2.0
281.09290	2.9
281.12689	1.1
282.10175	2.1
283.10806	3.8
287.14078	3.0
291.11423	37.7
292.12170	50.1
293.12946	35.9
293.77328	0.9
294.13370	4.2
295.10904	2.1
295.14401	2.1
296.11526	1.6
301.11829	1.6
309.12512	1.8
310.09674	1.5
311.10324	2.5
312.11179	1.2
313.11938	3.5
319.10828	3.5
324.11267	8.5
324.14578	1.7
325.11795	3.8
325.15424	1.4
326.12576	1.4
328.10663	1.1
335.10434	12.0
336.11133	16.3
337.11884	9.1
343.12900	3.0
344.13998	2.1
345.14459	1.0
346.15631	2.0
356.13937	1.0
358.15674	2.8
360.17093	6.1
361.17606	1.3
370.19250	1.5
372.13574	1.4
372.17261	10.4
373.17816	3.2
374.18808	4.9
386.15054	2.6
387.15466	1.1
390.18307	5.8
391.18817	1.2
397.56042	0.9
400.16742	5.1
401.16943	1.3
402.18393	5.3
403.18997	1.9
404.16446	1.0
405.16898	1.6
406.17816	4.1
407.18030	1.0
412.16818	1.2
414.18350	15.2
415.18716	6.3
418.17831	7.9
432.14188	1.2
432.19455	14.4
433.19867	3.3
436.18848	4.5
446.16638	1.6
447.17868	2.2
458.17331	6.6
459.17801	6.9
464.22583	1.4
476.18307	39.4
477.18967	21.4
478.19727	6.2
479.19977	1.3
490.19934	14.4
491.20438	2.1
493.26077	1.3
495.23917	3.7
508.20920	88.7
509.21362	16.4
513.24768	3.2
525.24847	5.2
526.24976	1.0
537.25153	20.3
538.25482	2.2
555.26123	22.6
556.26239	3.7
558.25531	1.1
566.33258	1.5
569.24115	4.3
581.24188	22.0
582.24274	3.8
599.25140	100.0
600.25464	16.4
601.26929	4.2
613.26654	12.6
614.27130	2.2
631.27722	57.5
632.28058	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	629.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.2
59.01385	100.0
60.01730	0.8
61.98850	0.7
68.83732	0.6
69.03467	0.6
71.05028	4.1
71.24316	0.6
81.03465	0.8
83.05033	1.6
85.02980	1.9
91.58786	0.5
99.04551	1.0
101.06089	16.7
155.14484	0.6
169.15987	1.8
183.17542	4.9
195.17570	1.4
197.19138	3.1
213.18674	3.1
223.20724	0.7
227.20151	0.8
233.22810	1.0
251.23674	1.2
253.21701	1.0
255.23413	5.0
269.21399	0.8
271.22690	1.8
279.23337	0.8
287.22449	1.0
292.46683	0.6
294.61255	0.5
295.22672	0.7
297.24399	7.9
303.21790	2.3
313.23871	9.2
314.24139	1.1
315.25409	20.1
316.25668	0.9
329.23410	2.5
331.24936	19.6
332.25259	1.2
339.00879	0.7
339.25348	0.9
341.26981	0.7
343.28577	1.8
357.26480	21.1
357.30875	1.2
358.26871	1.8
359.27963	1.7
373.25998	2.2
385.29733	0.9
582.26105	0.7
593.48297	0.9
611.48950	21.8
612.49310	3.9
629.50012	69.6
630.50458	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	629.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.3
59.01387	100.0
62.83628	0.8
67.50098	0.9
70.20630	3.4
71.05042	4.8
75.12679	0.7
78.95908	2.0
81.03451	1.6
83.05016	1.9
85.02972	1.8
87.04498	0.8
101.06090	14.5
122.26176	0.8
158.42746	0.9
169.15996	2.4
178.01900	1.0
183.17564	5.2
185.81239	0.9
195.17575	1.2
197.19077	1.5
213.18570	1.5
223.20595	1.8
233.71255	0.8
253.21814	1.4
255.23250	4.0
271.22745	1.9
287.22409	1.9
297.24423	6.6
303.21655	1.3
313.23892	2.7
315.25391	7.3
329.23297	3.9
331.24951	12.0
357.26489	21.6
358.26987	1.7
359.28125	1.8
546.95239	1.0
551.46167	1.1
593.47742	1.2
611.48901	22.3
612.49524	3.4
629.50031	89.0
630.50354	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	629.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.3
59.01389	100.0
59.34476	0.6
61.98840	3.3
67.25890	0.7
69.03467	1.1
70.83718	1.2
70.84041	1.2
71.05014	3.4
83.05059	2.3
85.02984	2.8
99.04567	1.4
101.06094	18.9
169.16035	2.8
183.17543	3.3
195.17502	0.9
197.19139	5.8
211.31529	0.8
213.18633	3.8
213.81340	0.7
223.20604	0.9
225.18854	0.7
225.22285	1.5
253.21652	1.4
255.23262	5.1
269.21420	1.1
271.22775	2.2
283.26480	0.7
285.20752	1.2
287.22284	2.0
297.24393	7.0
303.21826	6.0
313.23877	12.2
315.25412	33.2
316.25784	3.5
329.23630	0.9
331.24942	37.6
332.25238	2.9
339.25928	0.8
343.28674	2.4
357.26447	6.8
373.25970	7.0
374.17307	0.7
374.26218	0.7
385.29868	1.4
496.86954	0.6
520.79541	0.7
611.48962	12.2
612.49158	1.8
629.50061	39.9
630.50427	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29185	3.1
50.99422	3.3
52.84336	2.7
57.03471	3.3
58.96392	3.2
59.01386	29.9
61.98837	17.3
71.01379	9.1
71.54443	3.0
71.54826	3.5
79.15264	3.4
79.34049	3.6
82.46415	3.6
85.02959	11.9
88.98787	5.0
89.02444	9.0
96.96032	29.1
101.02435	7.2
110.06118	6.5
112.98588	6.6
113.02461	5.5
118.19471	3.0
121.02986	5.9
122.06154	32.3
125.02463	5.5
134.06123	13.1
138.84850	3.2
151.00356	3.4
151.07661	17.9
160.06395	8.9
161.04774	5.4
167.03459	3.7
171.10187	5.2
174.05600	8.3
179.67569	3.9
193.03792	3.9
206.42352	3.1
213.10353	37.2
225.10463	4.5
239.11842	21.6
241.13576	17.2
251.11815	4.4
283.10983	7.4
285.12463	100.0
286.12704	6.4
293.12845	5.3
301.11908	10.2
311.10455	4.2
314.13330	4.3
328.10977	7.0
329.76617	3.5
340.11172	3.5
341.11816	4.3
343.13016	13.9
344.17307	3.9
353.06491	3.7
354.16064	7.4
356.14078	12.9
370.15564	26.6
371.16309	7.9
372.17096	14.0
396.13608	4.3
398.14865	15.1
403.15332	8.3
412.16550	15.3
413.17328	9.0
481.22339	3.8
485.25925	6.5
493.22446	6.3
511.23465	23.0
513.55774	3.6
523.23572	4.9
535.23529	31.9
536.23566	4.8
553.24683	70.2
554.24530	10.6
556.23291	11.7
579.22412	9.8
597.07672	16.8
597.23535	87.5
598.24243	8.2
609.95575	3.6
629.26312	52.4
629.38794	13.8
630.26556	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	629.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08916	0.8
50.40557	0.8
50.48471	0.7
50.62508	0.8
53.92221	0.7
57.03455	2.3
59.01387	100.0
61.98852	1.0
70.59790	1.9
70.60126	1.5
71.05037	1.0
81.03446	1.3
83.05025	0.9
87.04543	0.9
88.26659	0.8
101.06092	4.9
128.66382	0.8
183.17555	9.3
197.19113	5.9
199.13414	3.2
211.16913	1.0
213.18631	12.3
223.20670	1.5
225.22261	2.3
233.22824	1.8
235.20714	1.4
250.36562	1.0
251.23811	3.4
253.21922	1.0
255.23344	6.3
271.22800	2.9
279.23334	1.2
285.20557	0.9
287.22324	2.2
297.24368	7.2
303.21909	1.9
313.23859	15.7
315.25415	50.2
316.25644	2.9
331.24954	24.5
332.25064	2.0
343.28625	2.6
357.26456	9.7
373.25821	5.3
379.01740	0.9
385.29749	1.6
593.47144	0.8
611.48938	13.0
612.49817	1.6
629.50012	40.7
630.50604	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	629.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08007	0.9
57.44675	1.0
59.01383	10.4
69.69250	2.0
69.69656	3.9
72.18936	1.0
80.05067	0.9
85.02956	1.4
90.50730	0.9
94.06638	1.3
96.96032	4.3
101.44113	1.0
102.29575	0.9
110.06154	7.2
110.06857	1.2
115.35400	0.8
119.05061	1.1
120.08219	2.1
121.05353	3.7
122.06142	24.2
123.06516	1.9
128.03020	1.0
134.06186	7.8
136.59615	1.0
144.04579	2.2
147.06931	1.7
148.07649	1.0
151.07613	1.5
160.04153	1.8
160.06461	8.4
161.04825	2.4
162.05551	1.2
174.05632	8.5
193.03856	1.7
198.12823	1.7
199.09830	0.9
203.05939	2.9
203.11853	2.0
207.00633	1.1
211.08980	1.8
213.10347	37.7
214.10670	1.9
215.11897	2.0
223.08789	1.4
225.10390	3.2
226.11067	5.7
227.11803	1.1
236.17453	1.1
237.10320	1.5
239.09709	1.5
239.11937	17.3
240.12268	1.2
241.13516	19.2
249.10356	1.2
251.11903	4.1
277.09811	1.1
281.09424	1.4
283.10986	3.8
285.12485	100.0
286.12869	7.8
291.11539	1.5
293.12955	7.1
301.12027	5.3
311.10437	3.0
313.12231	1.4
328.10956	4.4
328.14545	2.0
329.15546	1.3
330.16129	2.4
340.10931	1.5
341.11731	2.6
342.12463	1.5
342.16364	1.9
343.13019	6.9
344.13995	1.2
344.17752	2.6
345.18204	1.3
354.12430	1.4
354.16183	3.9
355.13217	1.3
356.14078	10.0
356.18018	1.7
357.14725	3.3
358.15448	1.3
359.15927	1.1
368.17764	1.6
369.14597	2.1
370.15631	22.0
371.16483	4.6
372.17273	7.6
382.11548	2.1
384.13385	2.9
397.14337	2.0
398.15195	15.2
399.15378	2.2
403.15515	4.6
412.16696	11.2
413.17343	7.3
416.16696	1.8
425.20099	1.9
429.41766	1.0
445.16724	1.3
461.19067	1.1
467.24539	1.3
481.22437	2.2
485.25583	3.1
491.24646	1.0
493.22501	7.0
494.22794	1.2
509.25589	2.4
511.23557	14.3
512.24054	3.5
520.20282	1.1
523.23828	5.2
529.24420	1.2
535.23596	27.1
536.23901	4.7
553.24628	67.1
554.24890	8.8
556.23248	3.6
579.22485	10.3
585.27625	1.5
597.23596	68.2
598.23834	11.3
611.25146	3.4
629.26239	27.4
629.37354	1.8
630.26410	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	627.3698
Annotation	2,2'-dihydroxyastaxanthin
Peak:m/z	Relative Intensity
54.59615	0.8
56.74091	1.0
59.01386	7.2
65.00329	8.8
70.47168	1.8
70.47539	1.9
78.95898	1.1
83.01381	1.6
98.20590	1.3
107.01400	4.0
107.04998	1.0
119.05078	5.6
124.01660	1.1
149.99603	23.9
151.00389	15.8
161.61560	1.0
164.01192	1.9
165.02013	1.4
177.01939	2.3
187.11375	2.2
196.00134	1.8
200.12077	5.6
232.11064	11.8
255.17578	61.1
256.17929	4.6
268.14975	1.0
281.15485	1.7
286.04309	0.9
311.22473	1.3
313.23810	1.1
315.25339	1.5
351.12491	1.2
363.12225	7.9
371.18613	14.2
371.23087	1.6
372.19031	1.5
389.17511	1.2
405.17065	2.6
406.17804	3.8
407.18332	1.0
554.23755	1.0
609.47150	1.3
627.37006	100.0
627.46765	3.9
628.37280	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	629.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59134	13.8
57.03453	17.3
71.53466	19.4
109.03032	18.3
125.02454	100.0
133.99800	14.7
137.02493	25.2
161.02432	17.8
177.01874	34.9
305.06625	52.6
423.07242	71.5
441.08347	18.9
555.10352	18.0
581.12189	15.5
593.13147	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18480	0.3
56.11751	0.4
59.01379	1.5
59.65838	0.4
61.98835	0.8
62.84985	0.3
69.40940	1.0
69.41365	1.8
71.53388	0.3
82.81578	0.3
85.02966	1.0
87.61454	0.3
88.98820	0.6
89.02419	0.4
96.96025	1.7
109.58854	0.4
113.02491	0.5
125.02406	0.4
133.02942	0.7
135.04543	0.8
163.00438	0.4
190.99873	1.5
200.04857	1.0
211.04048	0.7
227.03505	1.9
228.04283	1.7
239.03606	0.5
240.04332	4.5
255.03062	1.6
256.03827	1.0
267.12402	0.4
283.02380	2.0
284.03287	60.9
285.03668	4.5
299.05630	100.0
299.38297	0.4
300.02509	0.4
300.05933	7.2
328.05292	0.3
629.12689	0.6
629.32190	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	627.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	34.0
61.98809	0.9
65.03972	1.4
65.48579	0.8
68.99863	1.0
69.44366	7.1
71.01382	2.2
75.00876	2.3
82.13762	0.9
85.02962	3.1
88.30613	0.9
89.02448	1.1
91.01902	26.2
96.96025	1.9
108.02187	1.3
109.02242	1.9
109.02966	34.0
113.02439	1.6
121.02989	1.6
125.02409	1.4
134.41969	0.9
135.00900	100.0
136.01262	1.8
137.02455	4.6
149.02455	1.8
151.04004	1.3
153.01953	95.4
154.02283	3.1
161.02489	1.5
165.01953	1.6
175.04024	2.2
177.01987	5.3
179.03539	2.0
180.04189	1.4
195.06651	1.3
197.06004	1.5
243.06598	8.8
244.07066	1.1
297.06168	68.7
298.06516	3.8
403.09244	1.1
405.11923	75.2
406.12207	6.3
445.91428	1.0
465.10959	2.1
478.23297	0.9
554.49634	1.0
627.17279	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72031	1.3
57.03435	2.6
59.01380	3.1
60.99326	1.4
67.01894	1.6
68.99820	1.7
69.03465	2.3
69.40675	4.9
69.41102	7.1
70.00871	1.4
71.01393	3.4
73.02944	2.3
81.03461	17.7
83.01400	16.2
85.02963	3.6
93.03471	3.2
93.93128	1.4
95.01411	4.9
95.05045	7.8
96.96026	15.6
97.02953	10.1
98.19868	2.9
99.04527	10.3
101.02463	1.6
102.73608	1.3
107.01432	1.9
107.05045	3.5
109.02947	8.7
109.06552	1.5
111.04533	3.6
113.02456	2.3
121.02971	5.4
121.06589	2.0
123.04547	35.2
124.01602	1.6
125.02464	44.7
131.62038	1.4
133.02963	27.4
135.00870	1.8
135.04510	4.2
137.02449	15.6
137.06055	5.0
139.04002	5.8
147.04561	4.3
149.02414	3.2
149.06001	1.9
151.04019	11.8
153.01949	1.8
153.05528	2.9
155.03479	2.6
163.04025	4.1
164.01125	1.9
165.01939	5.9
165.05547	4.3
166.02744	1.5
167.03513	81.9
168.03864	2.8
175.04022	1.6
177.01968	9.3
177.05562	2.8
178.92786	1.5
179.03520	16.1
181.05147	2.3
183.54774	1.4
189.05519	1.8
191.03497	4.1
193.01401	3.0
193.05154	2.5
197.04590	20.8
206.02040	2.2
209.04575	100.0
210.04933	4.5
221.04544	6.3
235.02458	6.3
239.05637	70.4
240.05992	3.4
251.05629	6.5
259.87625	1.9
265.03589	3.8
269.06699	25.9
276.98764	1.7
277.03540	19.1
281.06583	2.6
285.03897	2.1
287.07645	3.1
307.04712	9.9
311.07733	7.5
312.08200	1.9
329.08768	21.6
337.05518	2.6
341.08698	2.6
345.06198	2.2
359.09875	5.8
369.06293	2.1
379.06866	1.8
387.07275	68.0
388.07553	5.5
397.07657	3.0
417.08307	34.8
418.08508	2.3
429.08182	1.7
447.09363	8.4
448.09644	2.0
449.12860	7.6
489.10358	9.8
507.11539	26.6
508.11758	2.9
519.11414	4.0
537.12579	5.8
627.15741	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	627.1574
Annotation	Taxifolin 3-galactosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
55.14162	1.2
56.73753	1.2
57.03441	5.4
59.01390	2.1
64.30355	1.3
69.03457	1.2
71.01376	2.6
71.54284	1.3
81.03455	1.7
83.01397	6.3
85.02951	4.0
85.35401	1.2
90.84698	1.1
93.03448	2.1
94.43623	1.2
94.62667	1.3
95.01402	1.9
96.96035	3.9
97.02970	2.4
101.02441	2.4
107.01379	3.5
109.02955	6.0
111.00903	4.2
111.04557	2.5
121.02962	2.9
123.04523	4.2
124.01675	2.3
125.02464	76.2
126.02779	2.0
133.02975	1.6
135.00885	3.5
135.04555	2.2
137.02483	8.9
139.04024	3.7
149.02428	7.3
150.03186	1.6
151.00374	13.8
151.04033	7.6
152.01170	4.7
152.41679	1.3
153.01932	17.1
161.02461	1.3
163.00407	2.2
165.01897	4.4
167.03548	6.6
174.03282	1.5
175.00394	2.0
175.04004	12.0
176.30370	1.2
177.01958	18.2
178.99881	13.5
179.03513	4.0
181.01439	5.4
189.05566	3.7
191.03542	2.3
193.01411	3.1
195.02939	3.8
199.04022	5.5
201.01945	1.6
209.04544	4.3
216.04289	1.4
217.05043	8.4
219.02901	1.8
221.04453	2.0
235.02356	1.8
237.04224	1.6
239.05688	2.7
241.05067	5.8
247.02568	1.8
259.06116	5.0
265.66513	1.4
275.05646	8.7
285.04092	45.8
286.04385	3.1
297.06201	2.7
299.05762	2.3
303.05075	40.2
304.05481	3.8
341.31964	1.7
345.08209	3.4
387.07336	3.7
403.06805	3.3
405.11783	2.3
417.08255	2.9
419.09872	1.6
433.07614	1.6
447.09421	1.8
465.10403	100.0
466.10773	8.8
489.10782	1.6
507.11282	8.2
567.85968	1.5
607.87537	1.7
627.15442	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	627.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	3.5
59.01385	3.6
69.72551	11.3
71.01393	7.1
72.99316	4.8
80.89448	2.1
85.02962	37.0
95.01433	2.3
99.04488	2.2
103.03972	2.0
123.04543	7.4
125.02466	4.8
132.35277	2.1
132.66029	2.1
133.01436	3.3
135.04529	2.1
137.02406	5.1
147.03047	3.3
149.05983	2.3
156.22412	2.3
165.05568	10.4
167.03494	3.3
177.01950	3.7
179.03511	5.9
191.01973	9.8
191.03581	2.4
193.04990	3.1
209.03038	100.0
209.04602	4.5
239.05608	4.1
244.69891	2.7
255.05197	15.7
265.03632	4.7
295.04581	4.9
371.06329	5.3
387.07169	8.8
417.08163	7.9
507.11575	5.1
627.15350	2.7
635.37604	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.9
59.01373	7.7
71.01379	4.4
71.53310	3.8
72.99308	9.2
74.76076	2.7
81.03464	2.8
82.32938	3.2
85.02966	43.6
87.33614	3.4
107.05007	2.7
109.02947	3.1
123.04523	4.1
125.02476	13.1
133.01486	3.7
137.02469	3.8
147.02977	4.2
149.46230	2.7
153.01949	4.1
163.03966	3.4
165.05583	16.6
167.03491	9.9
172.75067	2.7
177.01952	5.9
179.03445	7.1
191.02032	14.6
191.03502	2.9
193.05064	3.4
194.90634	2.7
197.09210	2.8
208.89835	2.5
209.01053	5.9
209.03043	100.0
214.21959	2.6
229.03419	2.5
235.02382	3.2
239.05766	6.6
255.05095	32.3
265.03491	5.6
371.06161	8.4
387.07257	6.2
417.08234	6.5
627.14258	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	625.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.1
59.01390	14.7
59.43020	0.7
59.96528	0.7
61.98841	27.2
69.25673	1.3
69.26077	6.0
71.01392	14.9
72.99318	3.3
73.02959	4.0
74.74479	0.6
75.00883	13.1
78.95926	0.9
83.01421	1.4
85.02961	14.2
87.00883	3.7
88.98812	1.9
89.02455	5.3
95.01408	3.8
96.96031	2.3
97.02954	1.3
99.00876	4.1
101.02456	4.0
103.00409	1.6
109.02966	0.9
111.00906	0.8
111.08273	0.8
113.02470	11.7
115.00397	1.3
117.01990	1.2
119.03515	0.8
122.02517	2.4
123.08177	1.1
125.02481	1.6
129.01968	1.5
133.03017	0.9
137.02478	1.1
139.11409	0.9
139.88113	0.7
147.02995	0.6
147.42143	0.7
153.09334	0.8
161.04535	1.2
165.12926	1.5
183.13911	12.7
185.11830	1.3
191.02039	1.6
209.12086	0.8
221.15376	1.0
225.58575	0.8
227.12936	2.3
231.05168	1.3
249.06178	7.8
287.22272	0.9
299.04962	0.8
309.04156	1.5
310.04529	1.1
311.04712	1.3
328.05490	1.5
329.05875	1.7
329.23413	1.9
341.10406	0.9
357.26666	2.3
373.26138	2.2
375.27548	44.2
376.27979	3.3
397.13254	0.9
427.19775	0.9
430.08585	1.8
431.09009	3.0
448.09668	1.2
449.09726	1.6
493.29517	0.9
607.33105	1.1
625.27197	9.9
625.34863	100.0
626.26556	1.4
626.35150	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	625.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87622	0.8
55.01900	1.3
55.11082	0.8
57.03443	4.9
59.01387	16.3
61.98838	8.2
69.03457	1.1
69.20627	6.4
69.21038	1.4
71.01394	14.7
72.99306	4.6
73.02959	2.4
74.02488	1.0
75.00875	13.6
76.36385	0.7
78.95916	1.0
83.01424	1.9
85.02959	18.9
87.00900	3.9
88.98809	6.7
89.02460	6.0
93.03487	0.9
95.01412	3.4
96.96028	5.2
98.19883	1.6
98.95638	1.4
99.00891	8.8
99.04568	0.8
101.02465	3.6
103.00360	1.1
113.02461	15.3
115.00354	1.1
119.03525	1.1
122.55585	0.8
122.56597	0.8
125.02459	1.3
125.09707	0.8
129.01971	2.0
133.03024	0.9
137.09703	1.0
150.72121	0.8
151.04022	1.0
162.00659	0.8
163.03954	0.9
165.05597	1.0
175.02499	2.0
177.01959	0.9
183.13870	1.2
191.01994	3.2
207.54797	0.7
209.03015	1.7
219.40260	0.7
231.05179	1.1
249.06197	10.7
255.03053	5.5
256.03641	1.4
258.26743	0.7
267.07318	1.6
276.35382	0.9
283.02521	9.2
284.03156	3.9
285.04187	1.0
329.23450	3.9
339.25662	0.8
357.26630	2.2
369.78912	1.0
373.25864	1.3
375.20163	2.2
375.27536	45.6
376.27893	4.3
409.05478	1.1
411.07178	1.3
441.08707	1.4
445.09451	1.0
463.11029	1.1
464.35242	0.8
473.08734	1.1
505.11856	1.1
521.33319	5.5
531.11560	2.2
535.12085	0.9
581.35541	1.8
593.12689	0.8
607.34546	1.1
625.17194	2.3
625.34735	100.0
626.34882	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	625.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87622	0.8
55.01900	1.3
55.11082	0.8
57.03443	4.9
59.01387	16.3
61.98838	8.2
69.03457	1.1
69.20627	6.4
69.21038	1.4
71.01394	14.7
72.99306	4.6
73.02959	2.4
74.02488	1.0
75.00875	13.6
76.36385	0.7
78.95916	1.0
83.01424	1.9
85.02959	18.9
87.00900	3.9
88.98809	6.7
89.02460	6.0
93.03487	0.9
95.01412	3.4
96.96028	5.2
98.19883	1.6
98.95638	1.4
99.00891	8.8
99.04568	0.8
101.02465	3.6
103.00360	1.1
113.02461	15.3
115.00354	1.1
119.03525	1.1
122.55585	0.8
122.56597	0.8
125.02459	1.3
125.09707	0.8
129.01971	2.0
133.03024	0.9
137.09703	1.0
150.72121	0.8
151.04022	1.0
162.00659	0.8
163.03954	0.9
165.05597	1.0
175.02499	2.0
177.01959	0.9
183.13870	1.2
191.01994	3.2
207.54797	0.7
209.03015	1.7
219.40260	0.7
231.05179	1.1
249.06197	10.7
255.03053	5.5
256.03641	1.4
258.26743	0.7
267.07318	1.6
276.35382	0.9
283.02521	9.2
284.03156	3.9
285.04187	1.0
329.23450	3.9
339.25662	0.8
357.26630	2.2
369.78912	1.0
373.25864	1.3
375.20163	2.2
375.27536	45.6
376.27893	4.3
409.05478	1.1
411.07178	1.3
441.08707	1.4
445.09451	1.0
463.11029	1.1
464.35242	0.8
473.08734	1.1
505.11856	1.1
521.33319	5.5
531.11560	2.2
535.12085	0.9
581.35541	1.8
593.12689	0.8
607.34546	1.1
625.17194	2.3
625.34735	100.0
626.34882	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	625.272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26489	3.0
54.02259	2.3
57.03440	8.7
59.01388	60.3
60.01667	2.5
60.99306	3.2
61.98829	6.3
71.01390	45.2
72.99310	8.7
73.02933	5.2
75.00861	10.7
83.01380	7.3
85.02962	30.6
87.00876	9.6
88.98831	13.8
89.02454	33.4
93.03484	2.8
95.01414	6.1
96.96028	8.3
97.02901	2.9
99.00877	6.1
101.02462	25.2
108.02214	2.9
111.04164	2.7
113.02465	26.8
114.82165	2.6
119.03464	9.1
119.97524	2.4
125.02434	5.7
129.01973	3.5
129.84341	3.2
159.01721	2.6
161.04555	3.7
165.12906	14.5
165.14027	2.6
167.03429	3.0
175.04044	2.9
179.05582	6.5
183.13921	100.0
186.15273	2.7
191.01961	9.1
191.03493	2.8
203.60631	2.8
207.14023	3.4
227.12886	10.9
237.14978	5.0
249.06140	7.2
251.12883	6.9
253.09317	8.6
283.05939	3.7
287.05579	4.4
307.05960	5.1
308.06885	5.6
323.05511	3.6
337.07281	14.1
367.08185	8.8
375.27512	18.5
445.20624	16.9
461.12439	9.8
463.21918	98.3
464.22070	7.5
487.21866	5.2
505.11346	5.5
521.33472	15.2
539.33698	3.5
581.16425	3.7
625.15887	30.4
625.26855	7.7
625.35229	41.5
626.15643	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	625.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.0
57.03446	1.6
58.00599	1.2
59.01387	24.9
60.01732	0.2
61.98843	0.8
68.99839	0.4
69.03448	1.1
69.48601	0.5
69.73695	0.9
69.74107	0.3
71.01391	17.6
72.01748	0.4
72.99306	2.1
73.02962	2.7
75.00887	1.8
81.03478	0.6
83.01395	2.1
83.05083	0.3
85.02959	6.2
87.00893	3.6
87.01392	0.4
88.98803	0.4
89.02456	14.5
91.04032	0.5
93.03423	0.3
94.13515	0.2
95.01389	2.2
96.96027	0.5
97.02964	2.2
97.06608	0.5
98.20675	0.3
99.00881	2.0
101.02456	12.9
103.00390	0.5
109.02947	0.3
111.00935	0.3
111.04553	0.3
111.08210	1.2
113.02468	6.8
114.02863	0.2
119.03522	3.2
121.03004	0.3
125.02460	3.4
129.01973	0.4
131.03571	0.6
137.02490	0.4
139.04012	0.4
143.03549	1.2
147.32840	0.2
149.04640	0.3
151.04054	0.3
161.04601	1.8
165.12863	9.4
166.13220	0.4
179.05644	1.6
183.13919	74.4
184.14252	3.5
185.04555	0.3
185.11801	0.4
191.01984	0.5
195.06581	0.2
209.11829	1.2
217.07115	0.3
221.06647	1.1
227.12910	10.3
228.13196	0.4
235.08223	1.9
249.06110	1.0
253.09232	0.9
259.06268	0.3
263.07712	0.6
301.16693	0.3
305.08737	0.4
329.23102	0.4
357.26581	0.3
373.26059	0.3
375.27533	6.6
376.27725	0.5
395.07697	0.3
397.13541	6.3
398.13895	0.4
415.14600	4.3
437.21640	0.2
515.12280	0.3
521.33514	1.3
607.25781	0.9
625.26868	100.0
626.27197	12.5
626.34442	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01155	0.4
52.16405	0.4
52.51592	0.4
55.01878	0.6
57.03459	1.1
58.00592	1.1
58.35965	0.3
59.01389	20.1
61.98834	0.5
65.20614	0.4
69.03462	0.8
69.31324	2.9
71.01390	15.0
71.01788	0.8
72.99319	1.0
73.02951	3.4
75.00888	1.0
81.03484	0.8
83.01398	1.7
85.02960	3.5
87.00887	2.5
89.02455	12.4
95.01414	1.0
97.02967	2.3
99.00896	1.2
101.02456	10.0
111.04514	0.5
111.08164	1.1
113.02460	5.7
119.03545	2.7
121.02979	0.4
123.89113	0.4
125.02477	3.2
131.03571	0.4
139.04010	0.4
143.03519	1.3
161.04558	1.3
165.12866	10.2
179.05644	1.8
183.13925	82.7
184.14243	3.9
185.67145	0.3
193.02829	0.4
209.11801	1.2
221.06744	1.1
227.12915	11.8
227.15147	0.7
228.13251	0.9
235.08134	1.7
253.09529	0.4
277.09085	0.5
375.27621	0.9
397.13550	6.2
398.13879	0.7
415.14505	3.6
493.30289	0.4
607.26062	0.9
625.27130	100.0
626.27441	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	625.272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44839	0.4
55.01876	0.8
57.03461	1.1
57.46187	0.4
58.00597	0.8
59.01388	23.0
60.10527	0.4
61.98839	0.4
69.03468	1.3
69.32246	2.5
71.01390	14.9
72.99327	1.6
73.02959	2.5
75.00884	1.0
77.00539	0.4
81.03474	1.0
83.01399	2.0
83.05035	0.5
85.02955	5.1
87.00886	2.9
89.02460	13.1
95.01440	0.8
96.96004	0.5
97.02959	2.5
97.06622	0.4
99.00912	1.4
101.02452	11.8
105.07296	0.4
111.08170	1.0
113.02464	5.9
114.60205	0.4
119.03508	2.9
125.02469	3.2
131.79808	0.4
139.04012	0.4
141.01964	0.5
143.03517	1.5
161.04591	1.9
161.60376	0.4
164.23405	0.4
165.12883	8.6
179.05614	1.3
183.13931	67.1
184.14305	2.3
185.04510	0.4
185.11913	0.5
191.02016	0.5
209.11856	1.6
221.06618	1.1
227.12920	8.8
235.08203	1.7
249.06174	0.7
263.07736	0.6
301.16589	0.4
375.27505	3.9
397.13583	7.5
415.14624	4.7
568.07800	0.5
607.25848	0.9
625.26978	100.0
626.27228	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	625.1414
Annotation	Gossypetin 3-rutinoside
Peak:m/z	Relative Intensity
50.85272	0.4
51.91280	0.4
57.03473	0.4
57.42009	0.4
59.01393	1.1
63.02425	0.4
65.00342	1.0
68.91042	0.4
70.46796	0.4
71.01362	0.8
71.54754	0.4
72.99351	0.4
75.00916	0.4
82.75875	0.4
83.01401	0.7
85.02970	1.3
89.02480	0.4
91.01900	0.5
107.01425	2.8
108.02197	0.4
109.02930	1.1
117.69169	0.4
124.01696	3.0
125.02448	1.3
132.04439	0.5
135.00908	0.6
136.01613	1.0
137.02460	2.1
148.01671	0.5
149.02495	0.4
151.00392	8.0
152.01112	1.3
152.09732	0.4
156.41547	0.4
163.00372	2.1
164.01183	2.8
165.01962	0.8
169.01430	0.7
178.99881	8.9
179.03387	0.5
187.03981	0.6
191.01959	0.8
192.00731	0.6
193.01311	0.5
199.04089	0.5
203.03488	1.0
204.04239	0.4
214.02750	7.5
215.03438	0.9
219.03053	0.5
227.03601	1.0
231.03015	0.6
232.03696	1.0
242.02238	6.7
243.02948	4.5
255.02956	1.0
259.02496	7.0
260.02939	0.6
270.01697	7.8
271.02502	46.6
272.02881	2.4
287.02002	24.5
288.02530	3.2
289.03485	0.5
299.02045	2.0
300.02820	2.8
301.03473	1.3
315.01624	0.7
316.02261	100.0
317.02905	18.4
318.03174	0.5
463.08798	1.4
615.21899	0.4
625.14142	95.2
626.14508	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	624.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12828	2.3
56.16455	2.3
58.25787	1.9
59.01388	16.9
61.98839	100.0
63.81945	2.6
64.85324	2.2
69.16018	23.9
73.90027	2.2
76.97118	2.0
94.43649	2.0
100.62440	2.3
151.65730	2.4
196.33533	2.2
300.08029	2.7
311.22366	2.6
313.23907	4.4
329.23080	4.5
334.06693	2.4
372.31754	2.5
510.55890	2.4
625.46796	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	625.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	13.4
59.01379	10.5
70.30383	5.7
71.01374	15.2
71.53916	6.2
72.99310	10.3
75.00873	8.0
75.47509	6.5
85.02969	57.5
96.96025	28.7
107.05112	6.6
125.02481	9.8
146.66780	6.3
149.06116	29.5
163.04051	12.1
177.05591	20.4
179.03493	24.4
185.07765	6.2
190.49014	6.6
191.01976	31.1
226.86687	6.4
239.05615	100.0
247.64580	5.9
354.82541	6.4
420.36832	6.1
464.20233	7.9
505.10110	8.8
625.14252	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	625.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	4.8
70.23370	2.7
70.23727	3.5
71.01365	3.6
72.72440	1.2
75.00877	1.7
79.01897	1.7
81.03461	2.4
83.01409	1.4
85.02950	5.5
89.02466	1.3
93.03474	2.1
95.01393	1.8
95.04983	1.4
96.95988	4.4
97.02956	2.3
98.20002	1.8
99.00897	1.9
107.01381	4.7
109.02929	3.1
111.00842	1.7
113.02448	2.2
119.05055	7.0
121.02937	5.9
123.04534	3.6
125.02462	8.3
133.02940	3.0
135.04532	3.2
137.02475	7.1
139.04062	2.3
147.04568	2.9
149.02461	27.3
150.03220	2.9
151.00383	7.2
151.04019	7.3
161.02444	1.4
163.00333	4.8
163.04022	9.7
165.01889	6.0
167.03513	3.7
171.04396	1.5
175.00383	2.7
175.03922	2.3
177.01955	10.4
179.03500	6.6
189.01855	2.0
189.05597	1.6
191.01964	2.8
191.03493	7.5
193.01451	14.4
193.05106	2.4
199.04005	2.9
203.03522	2.8
205.01411	4.7
205.04950	2.3
207.02962	3.9
215.03502	1.5
217.01440	3.0
218.52409	1.3
218.54544	1.4
219.02943	2.9
221.04520	3.3
227.03328	1.8
229.04959	1.9
233.04517	3.0
235.02422	4.7
243.02931	4.7
245.04623	1.5
247.02493	2.0
251.05649	2.4
255.03069	2.5
257.04517	1.8
259.02487	1.4
271.02496	45.3
272.02756	2.4
283.06131	1.6
285.03934	2.6
299.02011	74.9
299.05167	2.4
300.02728	11.8
301.03540	36.3
302.03827	1.9
313.03543	2.6
314.04382	4.3
326.77237	1.3
327.05020	3.0
328.05884	4.6
329.06400	1.4
339.05103	3.1
342.03592	1.6
343.04605	11.7
347.23636	1.4
355.04605	11.1
356.05234	1.5
357.06210	3.4
367.04721	1.5
369.06146	2.6
373.05612	3.4
385.05676	37.1
386.05853	1.7
397.05478	3.8
415.01721	2.2
415.06744	29.4
416.07407	2.8
427.06683	3.8
445.07639	6.9
457.07593	1.6
460.09317	2.7
462.08084	19.1
463.08780	32.9
464.09186	3.1
469.07358	1.6
475.08463	1.8
487.08826	4.9
505.09915	100.0
506.10162	8.6
517.09875	2.3
535.11066	28.7
536.11591	2.1
547.11353	1.5
571.11371	1.8
589.11847	3.0
607.13092	3.8
625.14111	84.2
626.14337	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
57.03453	3.8
58.00615	0.6
59.01382	16.4
61.98827	2.1
68.99870	1.0
69.03461	1.0
69.92283	2.8
71.01014	0.9
71.01389	10.6
72.99314	4.2
73.02939	2.6
75.00873	11.7
83.01399	1.2
85.02957	16.7
87.00905	3.7
89.02447	2.9
93.03460	2.3
95.01418	3.1
96.96019	10.3
96.96957	0.8
97.06582	0.7
98.19979	1.1
98.95599	7.3
98.96291	0.8
98.96476	0.8
99.00900	5.1
101.02453	3.0
103.00380	1.2
109.02956	0.7
111.00855	0.9
113.02464	13.3
115.00393	1.2
117.01952	1.1
120.01302	0.8
122.02521	0.9
123.08192	0.8
125.02402	0.8
125.09651	0.7
127.11333	0.8
129.01944	1.0
135.03004	1.4
137.02419	2.3
141.12848	0.7
146.36087	0.6
157.12274	1.3
171.10205	1.9
175.02516	1.1
182.76642	0.7
184.38387	0.7
185.11768	2.4
191.01978	1.1
215.12929	5.2
231.05038	0.8
249.06157	6.6
253.28046	0.6
267.07135	0.8
284.03098	2.1
285.03979	4.3
299.05655	1.2
313.23712	0.7
325.23935	0.8
329.00940	0.7
343.24777	4.9
355.24924	2.2
373.25946	32.4
374.26404	3.0
375.27335	1.9
379.66943	0.7
416.87555	0.6
419.34656	0.7
481.14484	0.7
519.31830	1.1
563.30389	1.2
579.34106	5.0
605.31989	1.9
623.14917	3.1
623.32831	100.0
624.33197	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3441
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
55.01869	1.0
57.03441	1.9
59.01389	15.2
61.98840	0.9
65.91711	0.6
69.03456	1.6
69.29467	0.6
71.01019	1.3
71.01391	22.6
71.05029	1.3
71.54699	1.3
72.99322	2.0
73.02970	5.1
81.03456	1.3
81.85715	0.7
83.01372	3.0
83.05022	3.3
85.02976	7.2
87.00899	8.6
87.04529	0.8
89.02451	10.8
93.03554	0.8
95.01393	2.5
95.44115	0.8
97.02949	1.6
97.06582	1.7
99.00903	1.0
101.02454	14.1
107.05005	0.7
107.17844	0.7
109.06607	3.0
110.43690	0.7
111.08163	1.9
113.02471	6.9
115.03951	0.9
119.03526	1.8
123.08156	0.9
125.02423	2.1
133.05057	1.0
135.08148	1.8
135.13705	0.7
137.09712	3.4
143.03435	1.0
145.05109	4.6
152.25278	0.8
161.04591	4.9
177.12895	0.9
179.05652	1.2
203.14478	1.9
213.14998	2.0
231.17473	1.6
235.08240	15.0
237.14995	1.7
239.16484	2.7
247.13397	1.4
265.18045	2.5
270.49731	0.8
275.16611	1.9
277.18060	1.2
297.21918	0.8
313.25348	1.4
315.27045	4.1
325.25403	7.0
341.24933	5.4
343.26453	7.6
351.23273	4.0
357.49466	0.7
359.25958	11.7
360.26208	1.1
361.27493	1.8
369.19955	1.2
369.24344	17.2
370.24701	1.3
377.27313	1.8
387.25436	64.2
388.25711	6.5
394.89191	0.8
405.26465	51.5
406.27042	5.8
461.28882	1.1
472.75809	0.7
479.30173	3.1
595.34979	2.4
605.33246	2.3
623.34412	100.0
624.34650	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
56.72600	0.4
57.03452	3.9
58.00578	0.4
59.01385	13.2
61.98548	0.5
61.98837	7.6
67.01900	0.5
67.35365	0.4
68.99822	1.2
69.03456	0.8
69.62324	1.4
69.62721	1.3
70.85072	0.6
71.01391	11.4
72.99313	4.0
73.02953	2.9
75.00480	0.6
75.00880	10.9
83.01369	1.0
83.05051	0.7
85.02959	16.5
86.03273	0.6
87.00876	3.9
88.98811	0.5
89.02464	2.9
93.03458	1.0
95.01406	3.0
96.96027	3.0
97.02952	0.4
97.06617	0.7
98.19945	1.0
98.95610	1.1
99.00896	6.0
101.02439	2.1
103.00354	1.3
109.02944	0.6
111.00856	0.7
113.02460	11.2
115.00384	1.2
117.01948	1.7
119.05083	0.5
123.08122	0.7
125.02470	1.2
125.09700	1.5
127.11257	0.9
129.01947	1.2
131.01428	0.5
133.02960	5.1
134.03722	1.3
135.02869	0.5
135.04489	0.8
137.02457	0.8
137.09724	1.3
139.00340	0.6
144.61569	0.5
148.64023	0.5
151.03941	0.4
153.09236	0.7
155.10785	0.9
159.90317	0.5
161.02425	0.7
163.04050	0.8
165.01942	0.6
171.10271	5.9
175.00388	1.5
175.02438	1.3
175.03937	0.6
185.11842	0.6
191.01964	2.5
191.03503	0.6
196.91229	0.5
207.10898	0.5
209.03004	1.0
231.05208	0.7
237.05533	0.7
249.06190	8.7
267.07257	0.9
284.03201	1.3
285.04053	1.9
285.20709	1.3
297.04028	3.4
298.04724	1.8
299.05658	3.4
300.06082	0.6
309.04068	19.7
310.04428	2.4
311.05484	0.6
315.04950	0.5
325.23837	1.2
327.05133	16.5
328.05432	1.4
339.05246	0.9
341.06741	0.7
355.24893	1.1
357.06152	3.7
371.24438	0.6
373.25983	35.7
374.26318	2.6
375.27603	0.7
429.08307	19.3
430.08548	1.4
447.09375	8.5
448.09885	1.0
461.16263	0.7
519.32245	1.0
579.33380	2.0
605.31750	1.9
623.32855	100.0
624.33179	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	623.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.2
57.03447	2.4
58.00595	1.2
58.60856	0.5
59.01386	25.5
67.01913	0.8
68.99810	1.0
69.03441	1.0
69.42005	3.1
69.42433	1.3
71.01392	22.3
72.00764	0.6
72.99317	4.3
73.02957	1.8
75.00887	9.7
79.34811	0.5
83.01386	1.9
85.02962	17.5
87.00890	5.7
88.98827	1.2
89.02451	14.5
93.03469	1.0
93.77312	0.5
94.31619	0.6
95.01408	4.4
96.96019	1.4
97.02908	1.2
99.00896	7.5
101.02451	7.9
103.00406	1.6
109.02978	0.9
111.00871	0.9
112.28025	0.6
113.01726	1.3
113.02460	16.1
115.00391	1.2
117.01961	1.6
119.03523	3.5
119.04948	0.7
129.01985	1.2
157.01405	0.7
163.04079	0.6
175.02470	1.5
181.12402	1.1
191.01961	1.9
193.12325	1.2
207.10234	3.9
211.13531	0.8
223.06169	0.8
225.11371	4.8
231.05019	0.9
243.12399	1.4
249.06171	8.1
250.06497	0.7
266.37772	0.6
267.07208	4.7
271.02570	0.8
284.03305	1.1
299.05493	0.9
313.66412	0.6
341.10620	0.7
353.06741	0.7
373.18741	2.4
397.13467	1.0
443.23123	0.7
605.24677	2.8
621.66718	0.7
623.25641	100.0
624.26050	12.4
627.36169	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
59.01395	2.8
60.62555	0.5
68.99837	0.6
69.03461	0.6
69.58762	2.5
71.01402	2.0
72.99384	0.6
73.02962	0.9
75.00898	0.5
81.03461	6.0
83.01392	8.2
85.02974	3.1
89.02457	0.9
93.03479	2.0
93.62733	0.5
95.01408	1.6
95.05044	4.3
96.96017	4.8
96.96973	0.7
97.02961	3.0
97.03522	0.5
99.00895	0.6
99.04540	2.0
101.02468	0.6
107.05066	1.9
109.02916	3.0
111.00890	0.7
111.04527	1.4
113.02454	1.4
119.05024	1.3
121.02958	3.3
121.06612	1.1
123.04537	14.1
125.02467	7.5
135.04543	4.0
137.02443	4.2
137.06100	7.5
139.04024	6.0
140.12978	0.5
141.05602	1.0
141.49413	0.5
147.04550	1.6
149.02475	1.2
149.06059	1.1
151.04036	2.9
151.07651	0.6
153.05623	1.1
155.03506	0.7
159.04500	0.9
161.02499	0.5
161.06126	1.4
163.04010	3.1
164.04791	1.2
165.01978	2.9
165.05595	4.3
167.03510	24.6
168.03864	1.0
175.04030	0.9
177.01932	1.4
177.05611	1.6
179.03519	5.6
179.07133	1.1
180.04300	1.0
181.05101	2.7
189.05582	1.3
191.01999	1.1
191.03520	1.8
193.05046	4.0
194.05719	0.6
197.04550	2.5
203.03407	0.5
205.05136	1.2
207.06708	1.0
209.04568	41.7
210.04903	1.8
219.02954	1.3
219.06429	0.5
220.03909	0.5
221.04556	8.8
223.06195	1.6
233.04532	1.7
235.06158	2.6
239.05637	14.6
240.05933	0.6
248.03236	0.7
249.04002	0.8
251.05626	100.0
252.06078	4.4
263.05612	5.4
269.06674	1.1
275.05438	0.6
278.04346	0.6
281.06689	73.4
282.07022	3.6
292.15378	0.5
293.06671	4.2
297.04297	0.5
305.06726	0.6
311.07794	24.0
312.08072	0.8
323.07788	2.1
335.07709	2.1
353.08850	4.4
365.08701	0.9
371.09854	12.4
372.10202	0.7
383.09641	2.3
390.54733	0.5
401.10880	2.1
413.09369	0.8
431.13632	0.8
485.13013	1.9
498.60538	0.5
503.14218	5.3
515.14014	1.5
521.12573	0.5
533.15350	1.2
605.17255	1.6
623.18372	6.6
624.17822	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16365	1.1
57.03455	1.7
59.01374	9.7
64.21014	1.2
71.01395	4.1
71.55051	1.7
71.55526	1.8
85.02969	9.7
87.00922	1.2
88.98817	2.7
89.02448	1.9
96.96017	2.2
99.00896	1.4
101.02455	1.5
109.12922	1.4
113.02458	2.5
119.53318	1.1
129.01952	1.6
133.02985	2.1
135.04556	1.7
147.03041	1.4
163.04041	1.9
191.02086	5.6
191.03491	1.4
191.07230	1.3
205.08542	1.2
208.07317	1.2
249.06308	1.5
266.62854	1.2
269.04581	100.0
270.04971	5.9
297.07675	3.3
311.05875	1.5
329.14038	1.6
341.06735	3.0
353.06766	5.9
365.06729	1.4
369.06238	2.9
383.07935	3.4
389.16080	7.1
471.09552	1.3
473.10822	9.1
503.11975	2.0
565.12189	1.3
579.42218	1.4
591.13812	4.2
623.16302	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72986	0.6
57.03459	0.7
58.94027	0.5
59.01390	1.5
60.39732	0.5
65.00330	0.7
68.86179	0.4
69.98194	2.3
71.01386	1.9
75.16326	0.5
83.01398	0.6
85.02946	2.9
96.96003	1.0
99.00895	0.8
102.92554	0.5
107.01393	1.4
108.02234	1.0
109.02982	0.5
113.02452	0.8
125.02503	0.9
129.01959	0.8
135.00906	0.7
138.23489	0.5
145.02979	1.4
147.04440	0.7
148.01729	0.8
151.00417	4.9
151.04036	1.2
153.02025	0.6
155.04976	0.5
161.02487	0.7
163.00427	0.9
163.04054	1.0
166.02769	0.6
171.04466	0.8
174.03334	0.8
175.04039	3.1
176.04753	1.0
178.63892	0.6
179.00009	0.5
180.04356	1.8
183.04529	1.2
186.03412	0.7
187.04054	1.0
189.01964	0.8
189.05611	1.4
190.06337	3.8
191.01945	1.0
191.07132	2.4
193.05074	1.9
194.05798	1.1
199.03998	5.0
203.03539	1.0
205.08755	2.4
207.06673	1.0
208.07434	2.3
211.04007	1.2
215.03557	2.2
216.04193	0.7
225.11308	0.7
227.03522	4.2
228.03961	0.7
242.02232	2.4
243.03011	25.9
244.03642	1.8
254.02138	1.0
255.03009	17.4
256.03439	1.5
257.04510	2.5
259.06143	1.0
270.01740	3.7
271.02499	42.2
272.03113	5.5
285.04123	6.1
286.04889	1.5
287.05679	1.9
297.07767	1.1
299.01990	40.2
300.02756	37.0
301.03140	2.3
314.04358	35.9
315.05124	100.0
316.05402	6.0
325.07224	0.8
329.06607	4.1
353.06586	3.3
357.06232	0.7
373.18674	0.7
379.32465	0.5
383.07761	1.2
389.16098	19.6
390.16440	1.4
473.10928	8.2
474.11606	0.6
503.11414	0.5
590.24963	0.6
601.53479	0.6
623.16229	77.5
623.25201	4.3
624.16473	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	623.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95232	0.5
59.01381	0.6
69.26585	2.1
71.01398	1.0
83.30518	0.7
85.02962	1.8
87.00900	0.8
95.01441	0.6
96.96001	1.7
101.02427	0.8
118.44016	0.6
127.66969	0.7
132.16611	0.6
133.02979	2.6
134.03740	1.8
145.02914	0.6
147.04561	0.6
149.02432	1.2
150.03188	1.0
163.03996	0.7
169.50294	0.6
175.04018	0.7
177.01947	2.7
179.03516	1.0
191.01912	0.8
191.03453	1.4
265.05286	0.8
269.04459	0.7
283.06183	2.5
297.04019	0.8
298.04742	3.8
299.05615	2.1
311.05679	17.4
312.06415	48.5
313.06821	4.2
323.05566	3.5
324.06348	1.6
325.07300	0.8
326.08084	1.1
327.05017	1.6
327.08740	1.3
338.04294	1.1
339.05127	4.5
340.05743	1.4
341.06723	2.2
342.07068	0.7
344.05328	2.5
351.05014	1.0
353.06671	1.9
355.08316	3.9
358.06775	1.0
367.08612	0.9
368.05112	1.0
369.06042	1.3
383.07730	34.2
384.08237	3.3
386.06494	1.0
395.07779	2.7
397.09094	0.7
413.08780	19.2
414.09503	1.1
425.08908	2.8
443.09622	1.5
461.11029	1.3
503.12012	20.7
504.12332	2.2
533.13116	2.8
596.41809	0.8
623.16199	100.0
624.16516	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	621.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05422	1.5
55.01878	3.9
55.48285	1.5
57.03448	3.5
58.00562	1.8
58.85740	1.4
59.01387	100.0
60.13507	1.3
71.01392	36.0
71.31633	2.2
72.99307	2.6
73.02947	14.0
75.00883	2.1
83.01401	7.0
85.02954	22.7
87.00893	4.2
89.02455	13.5
90.21693	1.5
95.01405	5.5
96.96020	5.4
97.02945	1.9
99.00879	5.7
101.02456	27.8
106.66895	1.3
111.00887	3.2
113.02464	20.2
119.03523	3.6
120.01173	1.4
125.02415	3.4
127.47508	1.5
129.01923	1.6
143.03593	1.8
152.09187	1.6
159.02994	2.4
161.04573	8.4
241.01067	1.4
255.61305	1.5
267.07416	1.9
318.96027	1.4
319.53220	1.7
373.22382	2.4
415.19882	6.4
483.22180	4.8
517.26544	92.3
518.26691	12.2
535.27594	34.7
536.27612	4.0
577.28333	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	621.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93506	4.7
51.65006	6.2
57.80684	4.8
59.01388	100.0
61.99696	5.1
65.59193	5.7
69.18584	59.1
69.18922	10.9
70.45501	5.4
71.01395	48.2
73.02957	21.6
83.01391	9.0
85.02949	15.2
87.41975	5.4
89.02454	30.9
98.19867	10.7
101.02450	28.6
113.02467	27.5
116.02194	4.6
119.03528	7.7
132.38574	6.0
161.04604	12.4
179.05673	8.0
221.95412	6.3
275.31216	4.9
285.22128	5.7
313.74298	6.2
434.45068	6.2
501.42142	6.2
517.26428	36.3
535.27625	24.1
577.29401	7.8
637.48938	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	621.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69429	1.4
57.03463	2.3
58.00594	3.6
59.01388	100.0
70.91042	3.9
71.01392	49.0
72.99309	1.9
73.02957	28.5
83.01389	7.2
83.47454	1.7
85.02964	18.8
87.00889	2.4
89.02460	30.0
95.01379	2.9
96.59447	1.5
96.96017	5.3
98.20766	1.5
99.00899	1.9
101.02457	28.8
102.02797	1.7
113.02460	32.1
119.03517	11.0
119.05013	2.8
131.03494	2.7
143.03522	4.2
149.04581	2.1
155.05397	1.6
157.06154	1.7
161.04587	9.9
163.03972	3.2
179.05588	10.3
227.12993	2.4
236.39253	1.5
251.05521	2.2
262.40613	1.7
267.07101	1.7
517.26617	39.3
518.27222	3.4
535.27692	25.4
536.27985	2.9
549.42438	1.9
577.28473	7.8
627.00720	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09306	1.6
55.01867	2.0
57.03437	4.6
58.00621	1.9
59.01387	58.3
67.20859	1.6
67.56631	1.6
69.39496	5.6
69.39915	7.9
71.01392	31.5
72.06020	2.0
72.99300	1.9
73.02959	36.5
83.01401	12.0
85.02962	35.9
87.00854	2.8
89.02454	13.0
96.96020	18.7
98.95605	10.3
101.02445	34.8
112.94269	2.1
113.02483	13.3
116.92858	19.0
119.03530	5.1
129.01974	3.7
132.99457	1.9
143.03513	2.1
147.02957	4.3
149.04552	2.9
161.04559	7.0
165.04042	3.0
191.01982	11.7
193.12292	5.2
209.02950	3.5
211.13341	2.8
298.90186	1.9
373.18741	3.2
415.19778	100.0
416.20151	6.3
419.71439	2.0
453.13342	2.0
457.20807	2.8
531.10413	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	621.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90738	1.1
53.44555	1.3
55.01865	1.8
57.03452	4.6
57.38610	1.1
59.01387	29.6
61.98837	2.3
69.27451	7.2
69.27865	3.1
71.01382	14.2
72.99327	2.3
73.02948	3.6
75.00868	2.9
83.01377	1.9
85.02959	23.7
87.00887	2.2
89.02456	7.7
95.01364	2.4
96.96030	12.5
99.00903	3.2
101.02451	8.1
108.57600	1.2
109.02951	2.7
111.00868	2.2
113.02457	8.3
119.03515	2.4
121.02981	1.5
123.00882	3.3
125.02468	4.9
126.85622	1.2
129.01875	1.4
129.30713	1.2
135.04555	1.4
136.01694	1.7
137.02467	11.2
138.93536	1.2
145.09842	1.3
147.03024	1.7
151.00369	17.8
151.04012	3.0
152.01120	2.7
152.04826	2.2
153.02002	1.5
165.05466	1.5
166.02731	59.2
167.03421	3.7
176.17940	1.2
177.01974	2.5
179.05603	1.9
181.05081	72.2
182.05400	2.7
190.06242	1.7
191.02039	10.0
192.04399	1.6
193.05078	1.2
205.08646	1.8
207.06615	1.4
209.02986	2.2
223.05988	1.1
223.38889	1.2
249.06198	1.7
267.07251	1.8
319.95264	1.2
357.13461	2.4
359.11279	2.8
387.10913	16.5
402.13211	5.1
417.15585	100.0
418.15884	9.4
459.15112	4.0
459.34320	1.6
503.25528	1.4
517.30103	4.1
561.29102	7.2
579.30402	3.9
621.39453	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	621.183
Annotation	Afrormosin 7-O-laminaribioside
Peak:m/z	Relative Intensity
52.05978	3.2
57.03451	6.1
59.01386	31.4
59.20569	3.6
62.63408	3.1
69.24709	14.2
69.25145	19.7
71.01392	37.3
72.99308	10.7
73.02967	3.5
75.00883	29.9
85.02953	46.7
87.00873	14.3
89.02431	12.6
95.01353	8.3
97.32668	3.5
99.00888	21.9
99.48530	3.4
99.79302	3.1
113.02459	48.9
116.92852	12.2
117.01954	5.3
123.04509	3.4
125.02596	3.7
129.02026	3.6
137.02440	5.7
149.06024	4.9
151.00349	13.0
151.04097	3.6
166.02713	25.7
174.03194	6.5
175.02490	4.7
181.05095	39.3
206.71600	3.8
223.07755	3.9
235.06097	4.1
249.06177	43.0
251.07106	10.7
267.07175	100.0
268.07330	7.9
277.05264	4.5
279.06693	9.8
279.10196	5.6
294.08987	9.4
295.06046	8.6
308.06732	4.5
309.07590	6.7
323.05682	11.3
323.09268	14.7
338.07986	10.2
341.10370	8.2
353.10370	45.8
354.10770	6.1
354.18359	4.6
383.54257	4.2
401.79730	3.5
417.15564	41.2
418.16025	6.4
485.12988	9.7
571.14819	4.4
585.15540	6.3
591.17291	47.1
592.16742	5.7
603.17218	75.3
604.17249	12.3
621.18201	89.3
622.18573	14.2
645.51038	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	621.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.5
59.01392	13.3
60.99337	1.1
65.99477	0.9
67.01849	1.0
71.01389	7.7
73.02958	1.8
84.02261	1.1
85.02962	8.4
87.00896	1.5
89.02456	4.0
95.01393	1.7
96.96017	3.8
109.02984	2.3
111.00901	1.1
113.02467	4.4
123.00924	2.5
125.02453	2.2
136.01633	1.8
137.02483	9.1
148.59473	1.1
151.00394	17.8
151.04021	3.8
152.01178	1.1
152.04819	2.2
152.08371	1.0
161.04596	1.9
163.03952	1.5
166.02730	58.0
167.03400	4.1
175.03920	1.1
177.01985	2.9
177.05624	1.0
179.03503	1.3
181.05095	71.1
182.05421	3.2
184.03745	1.3
190.06339	1.6
191.01988	1.9
191.03528	2.0
192.04327	1.1
193.04991	1.7
225.33586	0.9
249.06142	1.5
267.07199	3.4
272.32211	1.1
295.62717	1.0
297.43814	1.2
357.13657	1.3
365.61105	1.4
387.10846	15.8
402.13321	8.4
417.15573	100.0
418.16013	9.8
517.30170	1.4
561.29071	2.4
579.30841	2.7
603.17365	1.9
621.17633	1.9
621.39758	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	620.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.1
59.92100	0.3
61.98837	100.0
75.25459	0.3
78.95909	0.5
80.96631	0.3
94.28882	0.3
97.39690	0.3
104.67261	0.2
108.32755	0.3
112.51408	0.3
127.69425	0.3
168.93954	0.3
169.63466	0.3
177.45921	0.3
218.87294	0.3
223.60374	0.3
239.57668	0.3
269.21521	0.3
287.22314	0.7
445.63504	0.3
539.43341	0.8
557.44281	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	620.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13158	0.3
59.01382	1.5
61.98836	100.0
71.08485	0.4
71.08810	0.6
131.66046	0.3
134.50969	0.3
145.68817	0.3
188.95569	0.3
212.32071	0.3
293.38431	0.3
316.67603	0.3
329.23337	0.5
447.47910	0.3
539.43365	0.6
551.90393	0.3
557.44244	3.1
585.77112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.8
61.98839	100.0
98.19862	1.6
259.97250	0.8
402.95398	0.8
411.14569	0.8
496.38831	0.9
507.70438	0.9
557.44244	2.5
598.47949	0.8
606.51233	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.0
59.41388	0.4
61.98840	100.0
64.36740	0.4
69.19616	3.6
78.95928	1.2
80.96493	0.3
88.76912	0.4
95.90577	0.4
98.20709	0.6
102.59309	0.3
152.99657	0.6
167.88271	0.3
168.03516	0.3
227.20204	0.5
255.23364	0.7
287.22324	2.0
557.44482	1.3
583.69305	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65381	0.8
53.88095	0.7
53.88400	0.8
55.01896	2.4
57.03458	13.3
58.00578	0.8
59.01390	25.8
61.98840	1.2
62.31262	0.9
71.01393	14.1
72.99325	3.1
73.02959	3.8
73.72583	0.7
75.00897	4.2
78.95947	1.0
79.95766	1.7
81.03487	1.3
82.95438	2.1
83.01402	4.6
83.70534	0.8
84.02193	2.4
84.95186	0.7
85.02964	100.0
86.03287	1.4
87.00891	3.8
89.02448	6.2
95.01411	1.6
96.48283	0.7
96.96024	44.2
96.97007	1.7
97.06634	0.8
98.20757	1.4
98.95642	2.6
99.00899	2.0
99.04535	5.4
101.02464	6.7
101.37326	0.7
103.00392	1.8
111.00861	1.3
113.02446	3.8
119.03556	0.9
121.03012	1.8
125.02476	23.1
129.01985	6.5
133.01447	1.3
134.03807	2.4
135.04573	3.5
147.03035	8.6
155.10898	0.8
161.74567	0.9
169.13379	0.8
173.00984	1.1
179.03374	1.2
191.02003	48.1
193.05066	0.9
201.11400	3.5
209.03053	17.9
223.13429	1.3
249.06192	1.1
267.12314	1.1
327.05383	1.1
353.05502	2.1
371.24463	1.3
373.25934	1.3
383.08392	0.9
441.13681	4.1
459.15103	29.7
460.15845	2.3
489.27353	0.8
561.29846	1.1
577.36377	4.5
603.33466	1.2
620.34222	1.1
621.18591	3.1
621.35083	35.4
622.35278	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	619.2565
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.44200	0.9
57.86973	0.8
59.01374	2.9
61.98833	1.4
70.67611	1.2
70.67933	1.1
88.98825	1.3
99.31824	0.7
137.27950	0.8
307.99948	0.8
401.14178	2.3
415.15741	2.5
416.16422	14.0
417.16776	2.0
429.17331	1.5
430.18051	2.9
431.18936	2.3
444.15781	1.3
458.17416	1.4
459.18274	100.0
460.18692	12.8
473.19867	15.6
474.20526	6.5
487.17181	1.0
501.19232	2.0
503.17191	2.7
517.18756	1.6
518.11713	1.8
518.19598	46.6
519.19879	6.9
532.21301	8.8
533.21954	90.1
534.22247	10.8
587.23267	6.2
619.25635	73.4
620.26001	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	619.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07592	1.0
53.62267	1.3
57.03454	2.1
58.00600	3.9
59.01387	100.0
69.52247	3.3
69.52676	4.0
70.81754	0.9
71.01392	52.9
72.99325	3.0
73.02956	23.2
78.95911	1.3
83.01401	8.0
85.02960	11.2
87.00887	3.7
89.02456	61.8
91.77279	1.0
95.01393	2.6
95.63546	1.0
96.96028	19.6
96.96977	1.7
97.95545	1.0
99.00883	1.2
101.02462	39.6
113.02469	26.0
115.00385	4.3
115.38752	1.2
116.54807	1.2
116.63850	1.0
117.03526	1.4
119.03519	22.9
125.02487	1.7
131.03542	4.3
143.03563	7.3
149.04584	4.4
161.04594	11.6
163.97595	1.2
166.19125	1.3
175.02489	8.9
179.05606	12.6
221.06679	2.5
244.77806	1.1
283.60968	1.1
295.06165	1.4
323.05637	4.1
443.09891	13.8
444.10059	2.0
552.94598	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.5
59.01386	100.0
69.21564	14.8
69.21968	5.0
71.01392	44.9
73.02950	10.0
78.46938	1.6
80.51862	1.9
83.01408	2.4
85.02959	11.5
87.00860	3.6
89.02463	38.1
95.01403	4.4
101.02453	25.2
113.01732	2.6
113.02470	33.5
113.50995	2.8
114.78288	2.1
119.03520	15.3
131.03539	2.7
143.03516	6.2
161.04565	8.9
179.05661	14.9
255.20157	2.1
293.74579	2.3
515.24957	30.2
516.25861	3.1
533.26233	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	620.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.9
61.98838	100.0
68.01733	0.3
70.28613	1.0
92.09673	0.3
111.36298	0.3
170.93102	0.3
178.28302	0.3
287.22385	0.3
329.23358	0.4
539.43457	0.9
557.44183	2.5
581.87659	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.3
58.79935	0.6
59.01385	11.1
59.61449	0.6
69.03466	1.0
69.45981	0.9
69.75872	1.4
69.76289	3.2
71.01385	5.8
73.02952	1.9
75.00885	1.3
77.77517	0.7
80.91699	1.4
81.03477	5.2
83.01396	6.8
83.05051	0.9
84.95161	0.7
85.02950	7.7
89.02447	3.6
91.29768	0.7
93.03465	1.9
95.01393	2.1
95.05030	4.6
96.96016	6.3
97.02957	3.8
99.00871	1.6
99.04495	1.6
99.08170	2.1
101.02453	3.3
101.06093	3.9
107.05039	1.9
108.02177	1.3
109.02952	3.6
109.06615	1.7
111.00893	1.2
111.04523	3.2
112.01579	0.8
113.02483	5.0
119.03517	1.3
119.04958	0.7
120.64335	0.7
121.02958	2.5
122.03789	0.7
123.00971	1.0
123.04539	6.7
123.08189	1.3
124.01684	0.9
125.02460	9.0
125.06093	11.0
127.07615	0.8
129.01939	1.5
135.04564	1.9
137.02469	5.5
137.06111	2.2
137.09703	1.1
138.03319	0.7
139.04015	7.2
139.07680	0.9
147.03003	1.3
147.04517	1.1
149.02426	1.9
151.04010	2.0
161.04518	1.1
163.03992	1.7
163.07605	1.1
164.04796	0.9
165.01938	2.8
165.05557	1.6
165.09239	10.1
166.02710	0.9
167.03510	15.3
173.05971	0.8
177.09178	1.5
179.03528	2.0
179.05603	1.1
179.10847	4.0
181.05069	0.8
181.08725	4.6
183.10301	0.9
189.13025	0.8
191.01988	2.7
191.03534	1.4
193.05003	1.1
197.04567	4.5
205.08760	2.3
206.09447	0.7
207.06671	1.9
207.10165	1.0
209.02946	1.1
209.04610	8.7
209.08200	11.5
219.10249	1.5
221.08253	4.5
221.11812	1.1
223.09808	2.3
231.10336	1.0
233.08177	1.1
235.09769	2.5
239.05693	3.7
249.11218	1.6
251.09267	21.3
263.09274	9.6
265.10944	1.7
267.07166	0.8
269.04480	1.6
275.09219	1.1
277.10812	1.8
281.10388	7.0
290.07993	1.7
293.10342	100.0
294.10733	5.2
295.04419	0.7
305.10345	5.4
307.11981	1.0
317.10413	0.9
320.08698	0.8
323.11383	69.8
324.11652	3.3
335.11429	3.7
353.12488	26.8
353.16849	1.1
354.13028	1.5
365.12555	1.6
377.12527	2.1
395.13571	3.8
407.13364	1.6
413.14563	22.1
414.15112	1.4
425.14566	2.7
437.14417	2.1
443.15549	1.3
455.10208	1.1
455.15598	5.7
473.16428	0.9
485.16415	1.2
515.17999	1.1
515.24957	1.4
533.19037	4.4
559.27802	1.2
575.19904	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	619.1675
Annotation	Sutchuenoside A
Peak:m/z	Relative Intensity
52.10310	0.4
57.03450	0.4
59.01384	4.3
61.70546	0.4
61.98835	0.7
63.02430	0.5
65.00368	0.8
69.50127	0.6
69.50534	2.4
71.01395	2.5
73.02956	0.8
77.46970	0.4
78.95928	1.3
79.95744	1.4
83.01397	0.8
85.02948	1.2
87.00896	0.7
89.02449	1.3
93.03490	1.3
96.96023	39.8
96.96906	1.9
98.20636	0.7
99.00929	0.5
101.02448	1.0
107.01414	1.2
113.02473	1.1
117.03473	1.1
119.03491	0.7
125.02447	0.6
130.04305	0.4
143.04953	0.6
147.06367	0.4
151.00374	2.1
154.04282	1.1
155.05043	1.1
155.88368	0.5
157.06613	0.5
159.04550	1.5
161.02477	0.5
161.04567	0.5
163.00430	0.6
165.01999	0.5
167.03528	0.4
167.05049	0.7
169.06654	2.9
171.04526	0.6
173.02452	0.8
173.06091	0.4
182.03642	0.4
183.04604	2.8
185.02515	0.4
185.06068	2.2
187.03983	1.3
189.05666	2.3
189.07123	0.4
191.02061	0.4
195.04468	0.5
199.03860	0.5
201.05563	0.6
206.29703	0.4
208.24629	0.4
211.04021	3.3
212.04562	0.6
213.05560	3.1
214.02762	1.1
215.03537	1.2
227.03529	5.7
229.05058	1.4
239.03531	1.1
241.05092	1.3
243.03035	1.1
255.03011	42.5
256.03336	3.3
257.04623	2.3
283.02505	83.7
284.03018	9.0
285.04071	100.0
286.04391	6.1
336.29785	0.4
348.10275	0.4
353.10513	0.5
430.09073	20.1
431.09845	56.1
432.10141	4.9
457.27887	0.6
473.10806	3.6
501.22858	0.6
601.55786	0.5
619.16681	42.8
620.16791	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	617.464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	2.9
58.00602	0.9
58.08246	0.5
59.01386	100.0
60.01705	0.9
69.03445	1.5
70.99143	0.6
70.99440	0.8
71.05028	5.6
74.82316	0.5
80.65022	0.5
81.03456	0.7
83.05038	2.6
85.02957	1.7
85.78569	0.5
87.04525	1.4
99.04521	0.9
101.06091	23.4
129.05373	0.5
141.12856	1.3
149.77321	0.6
149.83652	0.7
153.12859	0.9
155.14435	8.1
167.14394	1.2
169.16006	2.4
181.15939	0.6
183.13942	1.3
183.17558	7.3
185.15482	15.6
188.26810	0.5
195.17532	2.0
205.19698	2.7
207.17577	1.1
213.18634	8.9
223.20662	5.3
224.20891	0.6
225.18591	0.9
233.22729	1.3
235.20580	0.9
243.19698	3.6
251.23830	1.7
253.21736	1.0
257.21252	0.7
267.19565	0.8
269.21692	0.6
271.22842	3.2
285.20721	20.0
286.21228	1.3
287.22308	1.6
295.22510	0.6
301.20490	0.6
303.21805	35.9
304.22025	1.8
313.23868	12.5
315.25278	0.8
329.23340	1.7
331.24921	55.8
332.25336	3.8
345.22839	10.7
352.93295	0.7
373.25983	4.0
421.88629	0.6
581.44580	1.0
599.45374	8.7
600.45203	1.3
617.46338	36.3
618.46899	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	617.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	3.2
58.00610	0.8
59.01387	100.0
60.01707	1.0
61.56074	0.6
65.17886	0.5
68.76016	0.5
69.03472	0.8
69.87817	3.0
69.91902	0.5
71.05028	4.1
74.50069	0.5
80.71304	0.6
81.03497	0.7
83.05033	2.8
85.02966	2.0
87.04534	2.2
96.46038	0.5
101.06097	16.5
141.12875	1.9
155.14426	5.0
169.16017	1.8
181.16055	1.2
183.17563	6.6
185.15498	8.2
195.17618	1.4
197.19159	1.3
205.19603	1.3
207.17456	0.8
211.17055	0.9
213.18629	11.1
214.19012	1.0
223.20735	3.5
233.22729	1.2
235.20825	1.3
241.21629	0.7
243.19684	2.1
251.23845	2.4
253.21822	0.8
271.22882	3.9
285.20743	17.0
285.23938	0.9
286.21140	1.7
287.22369	1.6
303.21805	32.7
304.22131	2.0
313.23944	8.0
329.23459	0.7
331.24930	52.8
332.25363	4.1
345.22803	9.2
346.23041	0.7
373.25992	2.0
455.35559	0.8
579.97302	0.7
581.43896	0.7
599.45410	9.1
600.45825	1.2
617.46381	29.8
618.46771	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	617.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35170	0.3
57.03492	0.4
59.01386	4.0
61.98835	1.1
69.03500	0.4
71.01395	3.6
73.02961	1.0
74.81834	0.3
78.95948	0.3
80.02693	0.7
81.03487	0.9
83.01404	0.6
83.05036	3.4
84.02180	0.6
85.02954	1.4
87.00872	0.7
89.02454	3.1
92.25588	0.3
95.01404	0.4
95.05042	0.4
96.96014	1.3
99.00877	0.6
101.02451	2.9
113.02457	1.5
113.06120	0.4
119.03528	0.7
125.02463	0.9
125.09713	1.0
127.11292	1.8
131.03601	0.4
132.25499	0.3
135.08209	0.5
137.02422	0.4
143.03491	0.4
149.04556	0.9
153.09242	0.7
161.04584	1.1
163.11311	3.2
165.12869	2.0
171.10280	100.0
172.10614	3.0
179.05600	0.7
181.12346	0.5
191.10820	0.8
199.13412	0.5
201.11365	0.4
205.05000	0.4
209.11835	87.4
210.12177	4.0
226.03703	0.3
227.12895	11.5
227.15167	0.7
228.13283	0.7
235.08272	3.2
253.09286	8.5
283.02600	0.4
311.02298	0.4
327.04904	0.4
355.08344	0.3
363.21896	0.4
369.09720	0.5
379.64911	0.4
382.06870	0.7
397.09305	2.4
398.09851	1.3
407.14423	0.3
407.19162	1.3
412.11627	1.4
413.12473	5.0
414.12488	0.4
445.20676	0.8
455.26590	0.6
463.21771	0.4
553.52594	0.3
581.35809	0.4
617.17957	1.7
617.34546	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83484	0.2
59.01390	0.4
71.54458	0.4
78.95915	1.8
79.95744	2.2
82.28454	0.2
85.56754	0.2
96.96024	100.0
96.97015	2.5
112.09196	0.2
152.99608	0.5
185.70380	0.2
287.93890	0.2
491.50479	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58042	0.9
57.17900	1.0
59.01388	11.1
65.00324	5.8
71.05038	1.0
72.22315	0.9
78.95918	1.3
83.01384	2.3
93.03442	1.4
97.02971	1.2
98.20683	2.3
107.01408	3.1
109.06296	1.0
119.04959	0.9
121.02970	2.2
123.00871	2.4
135.00931	2.2
137.02461	1.1
138.03241	4.2
139.03993	3.1
145.02959	3.2
147.04559	1.0
147.22977	0.8
149.02415	1.1
151.00375	7.7
153.05556	2.8
161.02396	1.0
163.00388	12.8
163.03966	1.1
165.01915	3.3
165.13321	1.0
171.10291	1.3
173.02246	1.2
173.44797	0.8
177.01884	4.6
177.05498	1.0
183.17670	1.0
187.11243	1.4
189.01953	6.1
191.03542	2.7
192.07762	1.1
199.04007	1.3
200.12111	2.6
201.05522	1.1
203.03529	2.8
207.02963	4.7
207.06717	2.1
215.03487	1.2
218.05711	1.6
231.06590	1.7
232.11066	13.2
255.17564	51.4
256.17896	4.2
257.08212	2.5
258.01724	1.6
259.02371	1.1
269.04587	1.2
273.04031	1.6
275.09225	1.6
279.17657	1.2
281.15359	1.5
285.04138	2.8
286.01337	1.9
287.02020	1.5
287.05621	2.0
287.22150	1.1
299.09290	1.3
301.03552	8.9
302.04236	1.9
313.03366	1.2
317.06705	2.2
323.16647	1.6
328.05869	1.9
343.08276	8.0
345.22876	1.3
361.09351	5.9
407.18710	10.0
419.18646	1.8
445.20062	3.3
463.21320	12.9
482.23666	1.0
557.22748	1.0
565.52545	1.0
573.24713	3.2
599.26495	26.4
599.45349	1.3
600.26727	4.4
617.27588	100.0
617.46100	7.0
618.28021	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	615.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30302	1.5
58.66523	1.5
59.01386	38.2
60.54340	1.5
71.01387	5.2
71.55124	2.2
79.95749	1.4
81.03453	1.7
83.01402	2.7
85.02999	2.4
89.02459	4.3
96.96017	10.0
101.02431	2.1
106.10987	1.6
113.02462	4.2
113.99608	1.5
119.03531	2.4
123.08157	1.6
125.02465	3.5
125.06081	2.2
139.11305	9.1
165.09218	10.9
178.82158	1.5
181.12390	11.9
183.10297	7.1
190.13077	1.5
199.13463	3.3
209.08221	43.9
225.11362	3.2
243.12396	100.0
244.12653	4.9
331.08255	1.9
371.13391	2.4
525.13831	1.9
538.29150	1.6
579.30243	14.1
615.27618	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	616.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86344	0.2
56.97537	0.2
59.01412	0.2
60.45054	0.2
61.98813	0.2
65.02975	0.2
71.54272	0.4
78.95905	1.6
79.95757	2.1
96.96023	100.0
97.95937	0.4
98.39806	0.2
132.41914	0.2
149.59636	0.2
152.99612	0.4
153.42749	0.2
222.13872	0.2
259.98822	0.3
338.92010	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75515	1.3
59.01387	31.3
61.98839	13.9
69.33450	13.2
71.01388	17.0
72.99303	2.4
73.02946	17.4
75.00860	2.6
83.01388	7.0
85.02950	8.4
87.00854	3.6
89.02449	4.7
96.84781	1.5
96.96024	13.3
99.00885	5.5
101.02449	11.1
111.00876	11.3
113.02438	5.4
113.99597	46.7
115.00380	17.8
119.03513	3.2
125.02452	2.1
128.01205	2.4
131.03535	1.8
134.03754	2.9
137.02498	2.6
139.00381	3.9
149.04665	1.8
155.03477	1.6
155.99382	2.8
156.00668	51.9
157.01277	2.7
160.04002	3.4
161.04543	4.8
174.01712	100.0
175.02335	7.2
191.01897	1.7
193.05084	4.8
231.13890	2.2
242.65645	1.7
285.04041	3.6
287.16504	5.9
415.19644	4.4
417.20770	2.5
509.23611	2.3
511.21808	11.7
512.21912	2.1
527.16913	1.6
615.26031	3.2
626.30920	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.3
69.76451	15.1
78.90610	2.7
81.52604	2.3
95.05055	4.5
97.02949	5.4
109.02979	23.9
110.03175	2.5
115.30740	2.3
119.05032	26.5
123.04520	17.7
125.02478	15.9
135.04510	2.7
137.02409	10.7
138.03195	3.2
139.04025	3.3
149.02425	5.6
151.04010	9.9
163.04036	29.1
164.01016	5.3
164.04346	2.9
165.01985	3.8
175.03905	3.4
179.03481	5.0
187.03949	5.3
188.04834	4.6
203.07152	14.0
205.05052	8.4
221.08139	4.4
245.08188	17.6
289.07230	100.0
290.07571	4.7
325.09204	3.2
517.47559	3.0
523.00110	2.9
595.68066	2.9
629.34711	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	615.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.6
61.98841	29.1
65.00352	0.9
69.53212	3.1
69.53627	3.0
76.62807	0.8
85.02954	3.5
96.96011	4.4
98.19994	1.2
105.73181	0.9
109.02953	1.2
121.02991	2.5
125.02438	1.0
126.48564	1.1
133.02977	10.0
134.03726	1.6
135.04541	2.8
147.04541	1.2
149.02493	1.0
151.99248	0.9
161.02406	1.4
163.04048	2.6
165.01955	2.0
175.04008	3.2
191.01981	1.1
191.03542	1.9
193.01431	1.1
193.05035	1.9
199.04135	1.6
213.05724	1.8
225.05624	1.5
253.04855	1.7
269.04382	1.6
284.03247	7.6
285.04099	9.8
297.04092	12.9
298.04776	8.2
299.05640	19.6
311.05655	1.6
325.03461	1.1
327.05127	100.0
328.05334	4.8
339.05252	2.5
357.06192	36.0
358.06683	1.7
369.06168	3.9
393.06274	2.1
411.07278	1.1
424.93335	1.0
579.13605	66.1
580.13818	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	615.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.1
61.98832	4.0
71.31599	2.0
73.36445	1.0
78.73200	1.2
85.02985	1.3
89.02470	1.0
89.17784	0.9
96.96031	1.2
109.02949	1.5
110.25345	0.9
121.02942	1.0
133.02969	6.2
135.04501	1.4
142.49821	1.0
175.04088	1.7
191.03650	1.2
201.01949	0.9
285.03903	1.2
290.94885	1.1
297.04132	2.4
298.04913	5.7
299.05695	2.0
311.05594	3.5
312.06509	4.7
313.07108	6.5
323.05615	1.2
327.05054	5.1
339.05154	8.7
340.05426	1.3
341.06653	4.0
353.06699	1.5
369.06174	31.9
370.06375	1.9
381.06293	2.8
399.07214	22.4
400.07755	2.2
411.07275	2.8
417.17673	1.4
423.06918	1.1
429.08099	5.9
441.08173	1.6
459.09332	3.0
471.09518	1.6
489.10403	10.1
519.11694	1.5
579.13611	100.0
580.13879	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	613.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64022	0.4
57.03462	0.9
59.01389	98.6
60.01691	0.6
62.57077	0.4
70.08290	1.5
70.78968	0.4
71.05058	0.5
77.68500	0.4
84.02155	0.4
98.20008	0.5
99.30563	0.4
99.97528	0.4
103.45483	0.4
169.15965	1.0
197.19130	13.8
198.19536	0.9
225.22282	3.3
235.20731	0.7
237.22195	2.4
253.21782	0.9
255.23309	14.1
256.23770	0.8
287.22299	5.7
287.91391	0.5
297.24377	19.7
298.24734	1.4
315.25424	100.0
316.25769	6.8
325.27536	0.8
339.25558	0.4
343.28391	1.2
349.10388	0.4
354.15515	0.4
357.26501	7.5
588.74188	0.4
595.49634	5.0
613.50543	16.6
614.50983	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	614.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
70.50201	0.5
85.02967	0.5
87.00880	0.2
96.96038	0.6
106.14839	0.2
183.13927	0.3
191.02034	0.2
227.12866	0.9
245.23589	0.2
283.00662	0.2
378.38602	0.2
389.18271	0.5
417.61780	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56736	1.6
58.17744	1.5
59.01343	1.9
69.21488	4.1
69.21886	10.5
81.03466	6.5
82.42986	1.5
83.01384	7.9
92.03016	1.5
93.03471	2.4
95.05019	3.9
97.02954	5.4
99.04536	3.5
105.37202	2.0
109.02969	12.0
111.04515	3.5
113.02482	2.1
119.05016	2.1
121.02979	8.2
123.04552	15.5
125.02470	14.0
133.02957	7.1
135.04541	16.8
137.02454	7.8
137.06139	4.6
139.04044	8.8
147.04498	3.8
149.02460	2.7
151.04037	4.1
153.05659	2.0
156.97166	1.6
163.03993	2.4
165.01945	3.9
165.05551	5.8
167.03516	30.6
173.06161	1.7
175.04048	1.8
177.01926	2.0
179.03473	10.1
180.04088	1.9
181.04987	3.1
191.03409	2.1
193.01370	2.0
193.05031	4.2
197.04558	4.5
205.04999	2.3
207.06624	2.7
209.04579	38.0
221.04596	9.6
239.05627	18.0
251.05611	20.4
259.06042	2.0
263.05646	5.6
269.06744	2.6
281.06717	7.3
284.03217	6.4
285.04086	5.2
289.48227	1.7
297.03958	9.6
298.04965	4.6
299.05695	9.6
311.07800	2.4
327.05103	53.4
328.05515	2.5
331.08270	8.1
335.07782	1.6
357.06256	12.2
361.09146	4.6
369.06015	2.1
373.09311	100.0
374.09564	7.6
385.09103	2.5
403.10382	68.1
404.10928	4.5
415.10291	3.2
433.11450	25.3
445.10989	2.7
447.09375	37.1
448.09619	5.5
457.11285	2.2
475.12799	10.5
493.13593	23.4
494.13971	3.0
497.52271	1.7
505.13315	5.8
523.14136	3.1
613.17657	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	613.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68987	0.8
59.01387	100.0
62.47548	0.7
63.46123	0.8
71.08607	1.0
81.03474	0.9
98.97653	1.0
118.06850	0.8
120.99271	0.8
129.55263	0.8
183.17513	2.0
197.19156	9.1
225.22285	2.6
227.20221	1.0
235.60539	0.9
237.22240	1.2
253.21980	1.0
255.23317	9.3
269.21313	1.5
279.23471	1.7
287.22260	3.9
297.24390	15.5
298.24823	1.0
315.25415	34.7
316.25793	2.4
325.27448	1.6
329.23334	2.0
343.28540	2.0
357.26477	19.8
358.26730	1.0
385.29425	1.8
595.49506	24.1
596.49512	3.3
613.50574	43.9
614.50989	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	613.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44341	2.4
59.01381	3.3
64.60281	2.3
71.01385	3.9
73.02930	2.8
75.00884	3.9
81.03460	6.2
82.04786	2.1
83.01403	11.3
85.02950	4.5
88.82133	2.8
89.13057	2.6
90.82256	2.5
91.64947	2.2
91.77869	2.6
95.01421	3.4
95.05038	4.8
96.96001	4.3
97.02977	5.6
98.19874	5.2
99.04528	3.8
107.05003	2.9
109.02966	12.6
113.02437	4.4
121.02978	7.8
121.06557	3.0
123.04561	15.8
125.02471	13.6
133.02948	7.3
135.04549	18.0
137.02452	4.7
137.06102	6.9
139.04015	7.1
147.04539	4.6
149.02411	5.0
151.03978	3.0
161.06061	3.0
163.04034	5.3
165.01898	3.7
165.05534	5.5
167.03497	31.1
175.04041	6.0
177.05595	4.1
179.03561	12.1
181.05119	3.7
191.03391	4.3
193.05038	5.6
193.90346	3.1
197.04585	6.1
199.04172	2.9
209.04575	35.3
221.04623	7.8
239.05649	12.4
251.05647	17.9
263.05603	2.9
281.06674	8.1
284.03278	5.5
285.04166	4.2
297.03946	8.8
298.04865	8.6
299.05643	11.5
327.05103	79.4
328.05359	5.7
331.08310	5.3
357.06201	20.3
363.23914	4.5
373.09323	100.0
374.09534	8.6
403.10364	70.8
404.10599	4.6
415.10422	3.4
433.11356	23.6
447.09406	62.1
448.09665	3.4
457.11447	2.8
475.12488	6.5
493.13486	22.4
505.13611	6.9
523.14728	3.2
613.17578	8.0
613.30713	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	1.5
59.01397	2.7
61.98819	2.7
62.59892	1.1
66.03469	1.6
69.21214	1.5
69.21532	11.9
71.01391	10.8
72.97544	2.7
73.97057	1.8
74.00697	2.1
82.02981	8.8
85.02971	1.9
85.04082	55.0
86.02496	1.9
87.05653	13.4
88.04054	12.8
93.50641	1.2
96.96014	2.7
98.19959	2.8
102.05635	1.2
109.04070	2.6
110.02446	1.2
110.40280	1.1
111.02013	3.2
113.03558	4.4
117.01347	1.5
125.07221	1.4
127.05149	5.0
128.03551	98.1
129.03976	1.4
135.05649	6.6
150.06740	1.9
152.08327	8.4
153.06723	6.2
157.06194	79.8
158.06532	2.0
159.07739	3.9
165.12802	1.6
169.06224	1.5
178.06229	7.6
179.04630	14.1
184.04860	5.1
185.04005	1.4
185.05688	1.2
196.07272	21.9
197.05658	2.6
197.11867	1.5
203.04932	1.6
211.20735	1.3
212.87184	1.6
214.08321	3.4
224.10414	5.2
236.27774	1.2
242.11423	2.8
256.11346	2.6
262.73782	1.2
268.06479	1.5
268.09396	30.3
269.09784	1.4
286.10464	100.0
287.10706	4.8
291.19632	3.1
293.21262	1.5
300.06564	1.5
318.07596	2.6
320.09308	1.7
325.18271	3.7
451.34531	1.6
464.77118	1.3
483.25415	6.0
594.28827	10.7
612.29633	83.9
613.30048	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	612.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	0.6
59.01368	1.3
61.98824	1.8
66.03493	0.6
66.14891	0.4
70.03014	0.4
70.86004	0.4
71.01388	5.9
71.54739	0.5
72.99282	0.5
82.02995	3.5
84.04536	0.8
85.04082	28.0
86.02486	1.2
87.05646	7.1
88.04053	4.6
96.96029	0.7
97.04102	1.0
101.02456	0.4
102.00194	4.2
109.04070	1.6
111.01987	0.8
112.02798	0.4
113.03595	1.3
119.02882	3.4
121.04183	0.4
123.05647	0.7
125.09810	0.5
127.04250	0.7
127.05151	8.0
128.03554	53.8
129.03885	0.5
135.05676	4.9
139.05164	0.7
145.06219	2.2
150.06679	0.7
152.08336	5.1
153.06703	2.5
157.06203	34.9
159.07796	2.1
166.06247	3.3
167.04652	0.9
174.02306	10.4
178.06235	2.7
179.04640	5.9
184.04935	1.6
184.07285	1.9
185.05727	0.6
185.11832	0.4
191.04958	3.4
196.07283	9.3
197.05675	1.5
197.07515	0.6
209.11905	0.7
214.08417	1.3
223.13440	0.9
224.10356	1.4
224.13676	0.5
231.04552	0.4
242.11476	0.9
248.07118	1.5
268.09387	4.5
286.07175	0.6
286.10464	18.0
302.08121	6.2
320.09229	100.0
321.09479	4.5
376.22223	0.5
612.29773	11.7
613.30011	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.9
61.98839	100.0
71.01393	1.7
71.54810	0.5
72.99334	0.3
74.80841	0.3
75.00871	0.4
83.01443	0.4
85.02969	1.3
86.03276	0.3
87.00928	0.3
89.02472	1.1
93.34177	0.3
95.05100	0.3
96.96035	0.5
101.02468	0.7
109.03027	0.7
111.00932	0.5
113.02480	0.6
121.02968	0.6
123.04556	0.5
125.02434	0.3
135.04567	0.5
149.02545	0.5
150.03285	0.5
151.00438	0.5
151.04150	0.3
165.05592	0.6
167.03526	1.3
188.18005	0.3
191.02002	0.5
249.06386	0.8
252.22725	0.3
288.06161	0.4
298.04926	0.4
306.06979	0.4
316.31955	0.3
328.05338	0.4
329.05676	0.5
370.06741	0.4
373.79324	0.3
404.11319	0.4
450.10391	0.5
492.11224	0.4
551.26819	0.4
552.27167	1.2
612.15149	1.6
613.17267	2.0
638.09204	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.0
67.14636	1.0
68.25450	1.0
91.01942	2.1
93.03462	1.0
119.05043	33.6
120.05422	1.3
129.63716	1.0
135.00882	7.6
145.02980	2.6
153.01926	1.7
159.04408	1.1
161.02412	0.9
185.09714	6.6
186.96603	1.1
199.07684	1.9
215.07132	1.8
227.07253	6.2
227.10800	6.0
253.05150	1.9
255.17432	1.6
267.06625	6.0
268.06854	1.3
269.11896	1.6
270.12610	2.4
271.13129	1.3
279.06638	3.8
301.02466	0.9
321.11414	7.6
335.12851	2.3
347.12888	12.1
348.13095	1.7
389.17691	5.2
390.18311	5.4
391.19281	6.7
465.93018	0.9
470.73358	1.0
611.37445	100.0
612.37933	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	611.3751
Annotation	2-hydroxyastaxanthin
Peak:m/z	Relative Intensity
54.42027	0.9
55.30116	1.1
62.40305	0.9
69.25230	8.6
81.69322	1.1
91.01906	1.0
96.96024	2.1
110.00127	2.1
117.03472	1.3
119.05039	94.5
120.05386	2.6
145.02991	5.2
151.00519	1.0
157.06622	11.5
161.02524	1.1
163.00339	1.5
163.04024	2.0
175.07536	0.9
177.05565	1.0
178.06296	1.3
187.11261	1.2
201.05563	17.3
205.05063	1.2
207.06706	2.4
210.90253	1.1
215.07265	1.1
219.06595	3.3
220.07379	1.3
234.05307	4.8
235.06122	4.9
248.06924	3.5
253.05060	4.4
254.05797	2.3
267.06619	1.7
271.13480	2.8
279.06613	3.5
289.14542	1.1
319.80966	1.0
321.11334	44.7
322.11746	4.3
389.17786	1.3
391.19119	9.1
422.17426	17.0
423.17783	2.1
471.60757	1.0
491.24615	15.2
492.24832	2.8
542.12286	3.2
611.37500	100.0
612.37738	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	611.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	56.7
61.98839	52.6
70.03587	100.0
85.02973	23.7
85.53931	23.9
94.98110	24.3
96.96011	63.9
98.58701	21.1
103.77287	19.6
117.03457	25.2
118.74860	20.2
118.87411	20.5
119.05042	25.3
161.02501	36.0
184.28355	22.9
209.11795	25.0
227.13106	26.9
232.98654	22.8
247.26961	22.2
283.02740	28.2
407.18842	25.7
508.34622	29.6
611.30011	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3744
Annotation	2-hydroxyastaxanthin
Peak:m/z	Relative Intensity
51.65897	1.6
57.03444	2.2
57.14190	1.6
62.51624	1.4
65.00337	2.5
74.38514	1.9
78.37392	2.0
83.01384	4.6
95.01408	10.1
107.01447	1.9
110.30302	1.7
111.00913	2.8
121.52955	1.6
123.00906	7.5
123.04540	6.7
124.01662	24.8
125.02470	23.0
128.67734	2.0
139.00392	2.7
151.00414	11.4
152.01205	8.1
167.03522	13.6
229.15997	3.0
243.06631	2.9
295.20651	3.4
396.02734	2.1
611.37439	100.0
612.37689	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	611.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68365	1.0
68.73450	1.1
71.01385	1.5
78.95920	22.3
79.95747	4.0
86.43050	1.1
96.96027	100.0
96.96957	30.9
98.20662	3.0
118.96721	1.3
147.57452	1.1
169.12492	1.2
194.39050	1.1
206.83759	1.2
229.59546	1.7
277.21838	2.8
295.29391	1.3
351.05991	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	611.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48297	1.0
55.20796	1.0
56.32343	1.0
56.44877	0.9
59.01379	2.9
62.06357	1.1
71.24829	1.6
71.25154	1.4
78.54395	1.1
78.95909	15.1
79.95737	4.0
80.89030	1.1
82.52927	1.0
94.63881	1.1
96.96025	100.0
96.96947	21.8
135.60049	1.1
136.18512	1.1
180.05640	1.0
277.21719	2.9
336.30841	1.1
351.06061	3.2
611.38977	1.2
637.98914	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62160	0.8
54.98187	0.7
57.03449	2.6
59.01378	2.9
61.41814	0.6
61.98832	1.1
67.01903	1.4
69.03479	2.0
69.90096	0.7
71.01389	3.7
71.53410	1.1
73.02957	1.2
81.03467	14.2
83.01393	11.9
85.02962	5.0
93.03471	2.9
95.01392	4.2
95.05038	7.6
97.02954	9.3
99.04524	5.9
101.02457	1.7
107.05042	1.9
108.02227	0.9
109.02973	4.5
111.00931	1.3
111.04540	4.1
113.02443	4.3
117.03517	3.7
119.05059	1.7
121.02988	6.2
122.03737	1.1
123.00921	1.8
123.04546	29.7
124.04851	1.1
125.02464	37.5
125.06082	1.4
133.02974	1.4
135.04543	6.1
137.02461	11.2
137.06085	2.5
138.03275	1.6
139.04041	4.7
147.04567	2.3
149.02448	2.3
149.06087	1.5
151.04054	6.7
153.05573	4.1
155.03490	2.1
161.02512	1.4
163.00514	0.9
163.04062	3.0
164.01323	0.8
165.01947	2.3
165.05530	3.9
166.02747	1.1
167.03513	52.9
168.03764	1.1
177.02022	2.2
177.05603	1.5
178.02686	1.2
179.03528	13.3
180.04149	1.0
181.05046	1.8
189.05492	0.7
191.02011	0.8
191.03535	3.1
193.01494	0.8
193.05087	2.5
197.00981	0.7
197.04584	14.1
205.05048	1.0
206.02197	0.8
207.03030	1.7
209.04573	100.0
210.04927	3.2
221.04590	6.0
225.07666	0.9
235.02354	1.2
239.05627	79.5
240.05948	3.5
250.99088	0.8
251.05618	5.6
263.05765	0.9
269.06686	32.7
270.07001	1.5
277.03586	1.2
281.06723	1.6
307.04672	1.3
311.07852	6.6
329.05463	1.3
329.08923	19.4
330.09210	1.3
340.05469	0.9
341.08926	5.9
353.06876	1.1
359.10165	5.8
370.06216	1.4
371.07706	41.7
372.08136	2.4
383.07724	2.2
399.52298	0.8
401.08789	30.1
402.09167	2.9
413.08771	1.2
431.09756	8.5
449.13245	5.7
473.10837	4.5
474.11105	1.0
485.11203	1.2
491.11859	20.5
492.12561	2.0
503.11862	2.6
521.12903	3.6
536.28491	0.8
551.27594	1.3
593.15057	1.8
611.15521	17.5
612.16626	2.5
624.87073	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98834	32.0
69.39754	10.8
71.54528	13.6
74.42290	9.5
78.95920	23.2
79.27399	10.1
79.41692	11.6
90.13413	10.5
96.12962	9.9
96.96020	24.1
99.42471	13.7
111.29586	10.3
118.04631	10.3
151.44635	12.2
169.16049	15.0
177.70068	12.0
227.20212	13.0
240.00426	11.6
285.20703	14.7
287.22205	76.3
315.25479	13.7
329.56378	12.6
573.43787	31.3
609.22211	16.9
609.35913	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	609.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	25.2
70.26512	17.2
91.32014	14.4
98.19928	34.7
105.66587	13.4
109.89558	14.8
122.37933	16.4
130.10335	15.2
147.35689	15.4
191.31554	13.9
229.57765	19.1
229.69341	20.7
279.23270	100.0
310.35611	15.8
386.55692	19.3
594.75385	20.6
609.36133	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98838	19.6
69.56237	27.1
69.56659	22.1
71.01379	59.1
73.02935	13.1
75.00891	26.7
77.89580	6.8
85.02956	74.1
87.00899	20.0
89.02477	22.3
90.11231	10.7
95.01322	9.7
96.96025	32.6
101.02441	17.9
106.58519	8.5
113.02454	41.8
120.29532	7.4
124.04058	12.6
125.02437	11.1
128.68225	8.4
134.03754	11.0
135.04552	16.5
137.02489	9.6
149.19760	8.6
151.03973	10.7
163.04076	14.4
165.04050	27.4
165.05470	16.4
175.02481	11.9
175.03973	10.4
181.04968	12.1
181.88521	8.3
184.06297	10.2
191.01996	19.3
193.05145	16.9
207.10274	14.2
221.73410	9.8
247.07310	7.8
249.06229	13.7
255.02928	11.7
267.07205	17.6
271.02457	18.9
300.02863	28.1
301.03369	13.8
327.04974	14.1
347.14893	9.6
361.16553	27.6
376.65741	10.1
387.14603	20.5
411.16141	9.8
420.35669	8.8
434.13190	25.4
443.11981	12.3
489.10422	10.6
505.20972	71.3
523.21735	32.2
609.13879	51.3
609.30872	32.1
610.17578	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.2
55.92239	1.3
57.03446	3.9
59.01387	57.1
61.98828	2.2
69.03457	1.5
71.01389	19.6
71.31614	2.5
73.02959	6.2
78.95909	2.3
82.45142	1.5
83.01406	3.8
85.02957	16.0
87.00888	2.3
88.98821	5.2
89.02461	3.0
95.01412	2.7
95.35159	1.4
95.48497	1.2
96.95971	2.6
97.02955	1.6
99.00889	2.7
101.02450	11.0
111.00910	2.2
111.50443	1.5
113.02438	7.8
125.02498	3.7
143.03499	2.7
152.99649	1.8
161.04582	2.2
177.22455	1.5
187.13373	1.6
201.14980	2.9
209.03223	1.6
218.45586	1.4
293.04666	2.3
294.04965	3.0
295.05072	1.8
300.02792	1.6
359.28091	2.9
361.29633	10.5
415.09354	2.4
429.16769	1.7
432.10178	2.2
467.10678	1.4
488.34979	1.4
489.10403	2.4
505.33865	100.0
506.34311	8.7
523.34808	23.3
524.35199	2.8
565.35828	4.5
609.14923	2.8
609.25433	1.9
609.35657	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	609.1467
Annotation	Lucenin 2
Peak:m/z	Relative Intensity
57.03447	2.6
59.52332	1.2
62.35620	1.1
69.23403	12.1
83.01369	2.1
98.45647	1.1
109.02952	5.6
111.04562	1.5
121.02988	1.8
125.02464	27.0
133.02960	12.3
135.04486	1.3
137.02449	5.6
139.04005	3.4
143.05025	1.5
149.02451	3.8
163.04028	2.5
165.01910	3.8
167.03467	2.9
175.03993	5.4
177.01939	20.9
177.05589	2.9
179.03494	3.0
187.04131	1.4
203.03552	2.4
205.01379	1.4
215.03596	2.0
217.05031	1.9
219.06656	2.7
225.05608	1.3
229.05095	1.3
233.04596	1.5
239.07132	1.6
243.02966	1.9
253.05046	2.3
254.05864	1.4
255.03023	5.0
257.04489	1.2
267.06693	1.4
283.02444	1.6
283.06055	1.9
297.04059	5.4
298.04846	11.0
299.05630	4.3
303.05142	1.5
305.06638	17.4
311.05652	8.0
312.06436	11.3
313.07092	10.6
323.05652	2.3
325.07245	1.5
327.05081	9.1
339.05176	17.2
340.05463	1.5
341.06683	6.8
342.07248	1.5
344.05246	1.8
351.04987	2.2
353.06833	3.5
357.06058	3.9
369.06177	57.4
370.06580	4.3
381.06143	6.5
383.08014	1.8
388.80942	1.2
399.07224	37.0
400.07541	2.1
411.07275	4.4
423.07236	20.4
429.08344	8.2
441.08350	5.2
471.09229	3.1
489.10376	50.3
490.10687	5.3
501.10382	2.3
519.11530	14.6
520.11932	2.5
591.13586	2.3
603.63654	1.3
609.14618	100.0
610.14795	13.0
614.72595	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66499	0.4
53.86412	0.5
56.35342	0.5
57.01724	0.5
63.02388	0.8
64.11524	0.4
65.00330	1.7
69.29399	4.4
78.32735	0.5
83.01405	0.7
103.75675	0.5
107.01397	3.6
108.02209	2.0
109.02948	0.9
119.01360	0.7
121.02977	2.7
121.42772	0.5
135.00906	1.1
148.01707	1.7
151.00389	14.4
152.00974	0.5
163.00430	2.6
164.01178	0.8
178.99904	6.6
192.00661	0.6
198.03149	0.5
199.04007	0.9
211.03972	1.2
215.03423	0.8
216.04279	0.7
226.02734	1.6
227.03456	3.5
229.04984	0.5
238.16940	0.5
243.03001	11.5
243.05357	0.8
244.03482	0.8
245.04626	1.1
254.02213	2.3
255.03011	30.7
256.03427	1.8
271.02505	63.1
272.02975	4.0
273.03976	0.9
281.54651	0.5
283.02493	1.8
299.01898	1.3
300.02774	100.0
301.03497	39.1
302.03894	1.8
321.01190	0.5
343.04517	1.0
355.62415	0.5
392.86118	0.6
458.10629	0.6
609.14636	88.4
610.14893	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	609.1465
Annotation	Lucenin 2
Peak:m/z	Relative Intensity
60.60978	1.0
69.98939	3.5
93.88471	1.2
98.20061	1.9
109.02979	2.6
133.02994	11.7
135.04488	1.5
149.05986	1.2
175.04021	3.9
177.01982	2.3
177.05638	1.7
187.03943	1.3
191.03535	1.7
241.05112	1.1
260.01477	1.3
297.04105	4.4
298.04803	10.8
299.05637	4.1
311.05643	8.1
312.06317	9.2
313.07138	9.4
323.05603	1.7
325.07230	2.6
327.05020	6.4
339.05096	14.6
341.06671	7.4
351.05109	1.9
353.06689	4.7
357.06213	1.9
369.06186	52.9
370.06473	4.2
381.06104	5.7
399.07245	34.5
400.07794	2.8
411.07422	5.2
429.08218	7.9
441.08322	2.0
471.09213	2.1
489.10391	41.4
490.10916	2.3
501.10342	1.5
519.11133	14.9
591.13324	2.5
592.13104	1.3
609.14630	100.0
610.14960	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
62.86703	2.3
71.01400	2.6
77.20219	2.4
85.02967	2.6
85.27757	2.7
90.43427	2.4
98.19785	4.8
109.02953	7.1
115.18039	2.3
121.02934	3.5
133.02971	30.3
135.04541	4.2
137.02464	3.2
161.02449	4.2
163.04022	5.4
175.03952	3.9
177.01933	9.2
191.03571	4.1
201.01942	5.6
203.03429	2.9
205.01459	4.6
227.03458	4.5
267.06665	5.0
281.04449	2.9
283.06174	3.9
297.04089	5.6
298.04697	18.0
299.05490	13.5
309.03995	4.9
310.04999	3.4
311.05652	24.3
312.06345	23.2
313.07047	19.6
323.05725	6.3
325.07132	3.4
327.05112	22.7
338.04575	2.8
339.05133	40.7
340.05573	4.8
341.06793	16.0
344.05212	3.5
351.05325	5.2
353.06775	4.3
355.04562	11.2
357.06189	4.3
367.04556	24.5
369.06165	89.0
370.06635	5.8
379.04605	3.7
381.06003	4.9
385.05640	31.7
397.05447	12.5
399.07281	38.6
411.07242	3.5
415.06723	13.2
429.08655	3.8
453.08038	3.7
471.09259	31.2
472.10117	3.2
487.09024	13.3
489.10486	49.9
490.10617	4.6
501.10410	11.1
505.09982	82.5
506.10580	4.9
508.12769	2.9
519.11481	4.4
573.12842	7.2
591.13617	100.0
592.14014	9.0
609.14557	60.7
609.24084	4.5
610.15137	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	609.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01564	1.2
57.03460	10.5
67.42684	1.2
69.85193	4.1
78.85775	1.0
81.03455	1.4
83.01401	3.2
85.02951	2.0
85.21600	1.1
85.58633	1.2
92.44846	1.2
93.03480	2.8
95.05044	1.8
97.02986	2.4
107.05041	1.4
109.02983	12.2
109.34367	1.2
111.04530	2.3
121.02972	6.2
123.00862	2.6
123.04519	1.8
124.01690	2.1
125.02463	100.0
126.02778	2.5
133.02979	3.6
135.04488	1.5
137.01468	2.1
137.02463	26.0
139.04037	10.8
149.02449	8.6
151.03987	5.2
161.02469	2.0
162.03256	1.2
163.04054	2.8
164.01192	5.8
165.01961	12.3
167.03508	10.0
175.04057	7.9
176.01183	1.5
177.01949	75.3
177.05484	2.7
178.02446	3.6
179.03539	8.5
187.04062	4.0
191.03485	2.7
199.04065	2.2
201.05641	1.8
203.03554	2.8
204.04283	2.2
205.01401	1.3
215.03468	1.7
217.04910	2.7
219.06602	6.4
221.04593	4.8
227.03394	2.2
228.04247	1.9
229.05061	5.5
243.02902	6.6
252.41785	1.3
255.02982	18.4
256.03754	4.4
257.04556	2.5
261.04007	3.8
266.09561	1.4
269.04602	2.7
273.04004	4.8
283.02444	9.7
285.03973	3.6
297.04129	6.7
298.04907	1.8
299.05331	1.6
303.05066	8.0
305.06699	59.0
306.07111	3.9
311.05386	1.8
315.04962	2.4
339.04929	1.5
355.08206	1.4
369.06146	5.1
397.09225	2.2
399.07047	4.3
423.07275	75.7
424.07553	6.2
429.08139	1.3
441.08350	17.2
442.08954	2.6
483.09448	4.4
489.10233	6.2
591.12054	1.8
609.14020	12.2
610.13452	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	9.3
70.83681	2.5
71.78631	1.2
73.49940	1.0
81.03471	1.3
83.01380	2.3
93.03479	3.3
95.01387	2.0
95.05067	1.5
97.01894	1.1
97.02934	1.7
105.03455	1.3
107.05029	2.0
109.02974	12.4
111.04511	3.7
121.02956	7.9
123.00896	4.1
123.04523	1.5
124.01678	2.4
125.02464	100.0
133.02986	2.2
135.04530	2.6
137.02461	25.4
138.03259	1.3
139.04037	10.2
149.02431	7.5
149.06076	1.3
151.04015	4.7
159.04523	1.5
161.02480	2.4
163.04085	2.8
164.01144	5.7
165.01915	11.7
167.03517	12.4
173.06104	1.3
175.04041	8.6
177.01949	73.1
177.05414	2.4
178.02412	3.5
179.03549	8.8
187.04027	3.8
189.05492	1.5
193.05161	2.1
193.57150	1.3
199.04048	2.3
203.03548	2.6
204.04387	1.7
205.01512	1.3
211.04056	2.8
213.05318	1.2
215.03503	2.4
216.04124	1.3
217.05034	3.3
219.06635	8.3
221.04575	4.1
222.12685	1.1
227.03526	1.3
228.04254	2.0
229.05028	4.5
235.21397	1.2
243.02989	6.9
255.03035	20.7
256.03687	6.7
257.04596	2.6
260.32321	1.2
261.04044	3.3
261.07733	2.2
269.04581	2.6
273.04025	5.2
282.01663	2.1
283.02487	13.5
285.03976	3.4
297.04044	6.6
298.04761	1.3
303.05096	6.9
305.06696	66.6
306.06970	3.9
315.05081	1.5
355.08258	3.5
397.09268	2.1
399.06989	1.5
423.07254	85.6
424.07700	7.9
441.08286	18.5
442.08817	2.1
483.09308	6.3
504.13632	1.4
517.92401	1.2
542.33185	1.4
609.12579	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	607.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33883	2.1
56.35591	2.0
57.03462	3.1
59.01388	100.0
61.98837	34.3
65.32290	2.1
69.06106	1.8
69.42850	16.3
71.01391	23.0
73.02950	5.6
78.95922	10.1
79.55637	2.2
80.96483	2.1
83.01404	3.1
83.36973	2.1
85.02975	16.6
87.00888	3.1
89.02470	6.4
95.01402	4.6
96.96032	5.7
99.00870	3.1
101.02475	14.2
113.02449	21.8
118.96941	3.4
125.02459	6.1
143.03519	4.4
150.33760	2.0
152.99562	6.7
161.04654	5.4
179.05704	2.0
197.11816	3.4
209.11931	5.0
211.82593	2.0
219.13950	3.0
235.99702	2.2
241.35001	2.1
245.30011	2.5
256.86353	2.4
271.02478	5.7
285.04034	5.6
299.02148	10.1
300.02689	2.2
343.28259	3.0
371.22269	8.2
389.23373	5.1
397.13483	3.0
487.32745	59.1
488.33276	4.2
505.33881	12.5
541.68079	2.3
607.30042	14.4
608.32385	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25183	0.9
57.03457	10.1
57.24569	0.8
63.09508	0.8
64.98227	0.9
65.00314	0.8
69.03478	1.5
69.19521	0.8
69.76274	0.9
70.70992	2.2
76.04016	0.9
78.63630	1.0
81.03476	1.4
81.10466	0.9
83.01402	3.4
93.03458	2.5
95.01402	1.5
97.02952	2.3
107.05047	1.4
109.02962	11.4
111.04541	2.8
121.02985	5.3
122.03708	1.0
123.00914	4.6
123.76801	0.8
124.01666	2.3
125.02463	100.0
126.02805	2.8
128.15573	1.1
133.02945	3.3
135.04494	1.8
137.02464	22.6
139.04024	11.9
149.02473	7.3
149.06084	1.9
151.04016	5.6
153.80409	1.0
159.04541	2.0
161.02460	2.0
163.04036	2.4
164.01193	3.0
165.01941	13.2
167.03497	12.2
173.06038	1.3
175.04013	8.1
177.01945	76.0
177.05556	2.7
178.02422	2.9
179.03484	7.6
185.06230	1.0
187.04007	3.7
191.03481	2.2
191.07185	1.2
199.03949	1.6
200.04689	1.0
201.05617	1.3
203.03514	3.3
204.04254	2.2
205.01419	1.9
207.37830	1.1
211.03999	1.3
214.02820	1.2
215.03510	2.4
217.01666	1.1
217.05055	1.6
219.03107	1.2
219.06628	7.2
221.04572	4.9
227.03659	1.2
228.04242	1.4
229.05043	4.4
233.04538	1.3
243.03003	6.1
243.06615	1.7
245.04559	0.9
255.03026	17.6
256.03702	5.3
257.04572	2.6
261.04062	3.4
261.07867	1.6
269.04541	2.9
273.04147	4.9
282.01556	1.6
283.02444	11.8
285.03964	4.7
288.02728	1.1
297.04025	6.3
298.04822	1.8
299.05862	1.2
303.05167	7.0
305.06683	71.2
306.07101	3.5
312.06491	1.8
313.07281	1.4
315.05121	1.5
339.05206	2.1
355.08020	2.7
369.06168	6.1
397.09457	1.6
399.07126	4.2
419.14502	0.9
423.07257	80.8
424.07599	8.3
441.08282	16.1
442.08563	1.5
483.09076	5.1
489.10764	4.3
519.11389	2.1
591.11554	1.4
609.14233	15.2
610.14374	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
57.03448	3.0
59.01384	57.1
61.98827	5.1
67.43875	2.1
69.24667	8.5
69.25100	6.8
71.01395	19.1
71.82644	1.8
73.02945	5.9
77.88089	1.6
78.95927	2.6
83.01411	5.4
85.02953	14.4
87.00883	3.8
89.02453	5.5
89.68501	1.7
95.01408	3.1
96.96024	3.3
97.02922	2.1
98.19865	3.4
99.00886	2.7
101.02450	12.2
111.00883	2.7
113.02473	11.0
121.10249	4.1
125.02457	3.8
127.66068	1.7
128.03427	1.5
159.03093	2.2
161.04567	3.5
165.12778	3.6
171.13937	3.4
177.01897	1.9
183.13940	10.9
201.14920	10.4
211.03993	2.0
227.03522	4.6
227.12790	4.8
239.03600	3.5
255.02972	7.1
269.04599	2.7
283.02560	16.8
298.04868	53.4
299.05078	4.0
306.05640	2.0
311.05508	3.2
313.07208	61.6
314.07507	5.1
335.00238	1.9
345.19153	5.1
359.27997	3.8
485.31506	2.5
503.32288	100.0
504.32874	10.4
521.33313	23.2
522.33508	3.9
523.77307	1.7
563.34973	3.2
607.25793	14.8
608.26410	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	607.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.2
57.03450	6.5
59.01387	100.0
61.39757	2.2
61.98829	3.4
65.17936	1.9
71.01391	36.9
72.99295	2.3
73.02948	10.4
75.00880	5.7
82.95428	8.2
83.01415	6.2
84.95139	3.0
85.02961	28.1
87.00877	4.8
88.98837	3.2
89.02454	16.3
95.01421	3.5
96.96035	6.3
97.03013	2.2
99.00928	2.9
99.04510	2.4
101.02461	23.0
111.00897	3.0
113.02467	19.9
119.03506	4.8
125.02440	3.1
129.01964	3.9
143.03506	2.7
155.11058	2.0
156.66495	2.5
161.04602	4.9
165.04033	3.1
171.10332	6.4
191.01930	4.2
199.23235	2.1
229.18124	6.8
296.64978	2.2
359.28122	5.0
373.22388	3.8
391.23639	3.4
427.23380	39.6
428.23822	3.8
503.32321	67.1
504.32816	10.1
521.33362	21.2
522.33331	2.1
541.42853	2.1
563.34686	10.3
569.33685	2.2
607.29626	19.6
619.71729	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	607.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.9
59.01383	30.9
61.80831	2.5
61.98825	6.8
63.70238	2.2
69.31841	16.8
71.01398	14.8
74.02483	3.2
75.00851	7.7
82.43829	2.5
85.02956	21.6
85.88899	2.7
87.00913	3.4
89.02448	7.3
93.03474	4.1
96.96021	16.7
98.19813	4.3
99.00864	5.4
101.02453	4.8
113.02454	10.0
114.37456	2.4
116.18564	2.6
121.02955	5.4
127.49671	2.8
128.03572	3.3
147.04462	4.2
150.03181	5.8
159.04498	8.8
160.04347	2.5
160.05338	28.6
161.06065	10.3
163.04024	5.1
164.04803	5.4
165.04054	3.6
173.06064	4.0
175.07654	22.9
177.01932	5.0
177.05556	7.4
178.06389	8.0
179.10695	5.5
191.01970	2.6
193.08751	3.1
193.87004	2.6
219.13852	3.0
247.09708	3.8
267.07181	6.4
280.55887	2.6
320.02560	3.0
329.13989	100.0
330.14246	6.0
359.14972	4.5
401.16010	3.2
409.15106	3.8
442.86679	2.8
443.23785	2.5
485.28680	3.1
557.13220	5.1
563.29993	3.2
607.14142	3.0
607.22174	19.4
613.28009	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	607.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54614	5.2
59.01383	40.8
60.03882	4.8
60.30616	5.1
61.55134	6.6
69.03452	4.5
69.61398	34.6
71.01397	28.7
73.02949	5.8
75.00886	6.3
83.01388	6.4
85.02939	31.3
87.00881	6.8
89.02452	17.9
96.96020	13.8
98.19956	6.3
101.02464	14.6
113.02470	13.6
117.03529	5.6
119.08109	5.9
125.02486	7.3
159.04561	11.1
160.05331	25.5
161.06071	11.2
163.04010	6.6
164.04819	9.1
175.07693	17.7
177.02034	6.2
177.05589	10.2
178.06377	6.6
191.02045	15.0
209.11913	45.1
247.09518	5.3
267.11411	9.6
283.06305	11.4
295.06033	7.3
297.07700	25.5
307.06155	6.0
311.05692	11.1
323.05563	5.5
325.07153	11.4
329.13980	98.4
330.14267	5.2
353.06683	39.6
359.15274	7.0
369.06290	18.8
383.07697	19.3
388.74426	5.6
397.13644	13.8
399.07144	10.6
415.14703	12.5
455.09741	6.8
471.09247	7.2
473.10764	23.6
489.10495	16.3
575.14008	100.0
576.14728	13.9
607.15393	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.3
59.01391	4.1
71.01387	3.7
71.54090	1.1
73.02934	1.3
75.00880	2.4
79.01862	1.1
82.95403	0.7
83.01390	1.1
85.02962	12.7
87.00874	1.4
89.02444	1.8
93.03466	2.4
96.96017	3.3
99.00879	1.6
99.98349	0.8
101.02464	1.1
109.03001	1.1
111.00887	1.1
112.33760	0.7
113.02473	2.0
117.03485	9.2
119.05037	2.7
125.02456	1.3
125.29681	0.7
129.02002	0.9
135.04538	3.9
137.02370	0.9
147.03006	0.8
147.04503	1.3
149.02472	1.3
159.04526	1.3
161.02452	6.4
163.04025	2.3
173.02525	1.0
175.04031	2.3
177.01910	3.5
177.05612	2.1
179.03436	1.2
179.10793	3.1
189.01941	4.3
191.01965	4.3
191.03558	2.1
193.05032	1.5
201.01877	0.9
203.03516	2.9
207.03047	1.1
207.08064	0.9
209.03009	0.7
209.11720	1.4
213.05508	1.0
217.01335	0.9
219.02956	1.1
221.04573	0.9
223.07634	1.0
231.02982	2.1
233.04587	1.1
235.07457	0.9
239.07195	1.0
249.06291	1.6
251.07162	2.7
253.08701	1.2
267.07037	3.5
268.07321	1.2
277.05582	0.8
281.04581	2.0
282.05341	3.0
283.06161	8.8
293.04782	1.1
294.05460	1.3
295.06165	14.5
296.06833	4.6
297.04535	0.7
297.07700	20.3
298.07999	1.4
307.06152	6.2
309.07553	1.7
311.05685	15.4
323.05594	14.3
324.06284	2.8
325.07184	9.7
328.05847	3.4
335.05576	3.0
337.07498	1.7
339.05130	2.2
349.07260	1.9
351.05090	17.1
352.05490	1.9
353.06674	51.9
354.07065	2.2
356.05341	2.9
363.05045	1.9
365.06543	3.8
367.93655	1.0
369.06204	12.3
381.06485	1.1
383.07703	9.4
393.06326	1.1
399.07080	1.1
409.09290	1.5
419.07626	1.7
437.08810	2.4
443.09875	1.2
455.09866	6.0
471.09354	8.9
472.10275	4.4
473.10913	37.6
474.11276	3.2
489.10425	18.7
490.10791	2.3
503.12170	2.5
513.10590	1.2
557.13098	14.9
558.13544	1.5
575.14105	100.0
576.14465	9.3
607.16840	10.8
607.24518	2.7
608.17084	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77677	1.0
53.87296	1.2
57.03465	2.1
59.01391	3.6
69.38555	9.9
85.02956	4.1
89.02450	1.9
93.03493	1.7
97.15223	1.5
98.19910	2.6
101.02506	1.8
113.02476	1.5
116.05364	1.5
117.03505	5.9
119.05082	1.5
125.02438	1.5
129.01958	1.3
135.04533	2.1
161.02446	4.3
163.04018	2.2
175.04086	1.4
176.01045	1.3
177.01935	2.8
189.01999	3.6
203.03534	2.7
209.11777	6.6
229.04883	1.5
231.03033	1.9
243.35577	1.3
251.07153	1.7
281.04501	1.4
282.05362	2.2
283.06213	7.4
295.06134	12.4
296.06628	2.2
297.07660	10.5
307.06177	5.6
309.07883	1.9
309.76056	1.4
311.05621	14.7
312.06604	1.8
323.05655	11.5
324.06433	2.4
325.07089	4.7
328.05829	3.3
335.05737	2.2
337.07251	5.9
339.05109	5.5
349.07358	3.0
351.05054	15.6
353.06653	25.1
354.07217	2.3
356.05487	2.6
363.05377	2.7
365.06610	3.1
369.06146	5.3
381.06134	4.7
383.07635	8.3
409.09204	2.0
437.08792	4.3
455.09958	3.3
459.09277	3.8
471.09305	14.0
472.10059	5.4
473.10959	25.0
475.09180	2.4
482.07730	1.7
489.10342	7.9
501.10620	1.8
503.11942	3.1
557.13104	18.0
558.13525	2.0
575.14069	100.0
576.14282	11.5
607.16571	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	605.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.9
57.03451	21.1
58.00583	2.9
59.01387	100.0
61.98820	8.3
68.99570	4.0
69.37739	21.3
71.01386	38.4
72.87637	3.1
72.99296	4.7
73.02953	12.9
75.00855	5.6
78.95952	3.8
82.95413	11.0
83.01400	10.7
85.02956	58.3
87.00874	4.0
89.02452	12.0
90.91347	2.3
93.00383	2.7
95.01392	6.5
96.96012	7.4
97.02945	3.5
99.00888	6.9
99.04500	5.0
101.02446	25.8
111.00896	3.3
112.98580	6.4
113.02450	18.7
115.04039	2.8
117.49235	2.4
119.03582	3.3
119.05045	3.7
125.02492	6.1
129.01962	7.3
137.02396	2.9
143.03490	4.8
147.02962	3.9
157.12306	2.5
157.97186	3.0
161.04593	6.3
163.04013	3.2
173.00966	2.9
191.02022	22.5
297.09821	2.5
383.24301	5.8
501.30743	72.4
502.30792	5.2
519.31879	23.2
545.29358	24.3
563.30518	26.9
605.32959	11.3
606.36969	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	606.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.4
61.98837	100.0
78.95908	1.3
80.81133	0.4
89.02443	0.6
97.83311	0.4
101.02428	0.6
152.99600	0.9
209.11874	0.8
211.13412	0.5
229.49379	0.4
607.29840	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83244	0.4
55.35106	0.5
57.03445	1.0
59.01393	5.8
71.01395	2.2
73.02984	0.6
75.00864	0.9
77.03949	0.8
78.10934	0.4
78.95916	1.0
82.98888	0.5
83.01397	0.5
85.02962	3.6
87.00896	0.6
89.02425	0.9
93.03462	1.5
95.01402	0.7
96.96027	0.6
101.02401	0.7
104.14896	0.5
105.03474	0.6
113.02414	0.7
117.03480	16.5
121.02969	1.3
124.36649	0.4
125.02457	0.8
131.01402	2.3
134.03761	3.7
135.04558	0.9
149.02457	0.9
149.06059	0.8
159.04567	0.6
161.02455	1.8
161.04562	0.5
163.04039	2.9
173.02455	5.8
175.00378	10.5
177.02025	0.5
191.01967	0.8
191.03502	0.9
193.05035	0.6
193.06581	0.5
203.03358	0.6
209.11887	0.5
237.05588	0.6
239.07246	0.8
249.05637	1.1
265.05154	0.9
268.03735	1.1
269.04541	1.3
281.04532	1.3
282.05350	0.7
283.06158	23.2
284.06458	0.9
293.04593	100.0
294.05005	5.9
311.05640	37.3
312.05902	2.0
313.07245	1.2
323.05734	1.6
330.99603	0.4
335.05524	1.0
341.06583	2.8
359.28101	0.7
413.08807	55.9
414.09201	5.9
431.09848	38.7
432.10327	3.8
503.32370	2.6
521.33673	0.7
547.31708	0.7
607.13562	0.6
607.33728	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22701	0.5
53.41408	0.5
57.03456	100.0
58.03782	1.0
59.01388	6.4
61.98840	0.6
71.01405	1.8
71.54173	0.7
75.00902	1.7
80.91711	0.8
81.03461	3.4
82.95451	2.5
83.01394	1.3
85.02959	11.7
87.00877	0.7
96.96053	1.6
99.04532	27.1
101.02458	20.5
111.00887	1.3
113.02504	0.9
113.06150	0.5
118.90226	0.5
119.05061	1.7
121.03026	0.6
125.02458	4.3
125.80231	0.5
127.08567	0.5
129.01927	2.8
147.03050	2.1
163.04012	3.1
165.04112	2.4
166.02760	0.6
173.01036	1.0
177.05574	1.0
181.05096	1.5
191.02005	3.7
223.13361	0.6
255.06740	1.2
263.00436	0.5
267.03073	0.9
268.07495	0.6
283.06265	2.6
294.05469	1.0
296.06894	0.9
298.08945	0.6
300.10074	0.9
308.06894	0.7
309.04364	0.6
309.07941	2.1
310.08676	1.0
311.05765	8.2
311.09454	1.8
312.06317	1.0
322.08493	0.7
323.09421	2.0
324.10159	1.6
326.07977	13.9
326.11554	0.9
327.08624	2.2
327.12582	1.6
337.00015	0.6
338.11655	1.6
339.08914	2.0
339.12589	2.8
341.10324	24.3
342.10950	3.0
356.12659	19.7
356.17010	0.9
357.13400	6.6
369.13483	6.2
387.14545	0.7
397.14865	1.1
431.17267	1.3
455.17017	2.7
459.15302	0.7
461.18347	1.3
473.18207	19.2
474.18677	1.5
495.20541	2.7
503.19489	1.2
513.21338	27.7
514.21863	3.7
527.17395	0.7
543.22858	2.3
605.22375	4.2
605.31769	0.9
606.22943	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2411
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
59.01361	1.7
71.54465	0.9
78.95928	1.3
145.28835	1.0
388.27148	0.9
430.17737	1.1
457.20041	1.8
459.18253	1.7
471.18298	2.6
473.19833	3.6
485.19586	1.5
486.20468	3.2
496.19345	1.2
499.17642	1.3
501.22961	3.2
511.21341	3.0
513.18988	2.9
514.20007	8.7
518.19769	1.9
529.22498	100.0
530.22833	11.6
533.22198	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	605.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
57.03204	1.1
57.03458	14.3
59.01388	22.0
59.01688	1.2
61.98827	1.4
71.01381	11.3
71.55101	1.2
72.99317	1.4
73.02951	1.7
74.00337	0.8
75.00887	2.3
76.12785	0.8
78.95921	1.2
83.01402	3.4
84.02174	3.1
85.02958	100.0
86.03285	1.3
87.00867	2.3
87.04479	0.8
89.02460	3.7
93.03455	1.5
95.01405	1.6
95.51373	0.8
96.96017	11.2
99.00890	2.3
101.02456	4.1
103.00401	1.2
103.98927	0.8
107.05063	0.8
111.00885	2.8
113.02464	6.1
119.03610	1.1
119.05040	10.2
121.02966	1.8
125.02412	1.4
129.01944	16.0
133.01405	1.1
137.02505	1.1
143.03528	0.9
145.02940	1.8
147.03015	17.2
159.10257	1.8
161.04584	1.4
163.04007	19.2
173.00923	5.8
187.11327	1.2
191.01993	66.7
192.02339	1.7
193.05066	1.6
209.03033	8.7
223.13362	1.4
235.60040	0.8
238.74623	0.8
267.12360	2.7
273.38647	0.9
299.01935	3.1
313.03680	1.3
314.04379	4.0
315.05023	1.3
329.06631	3.6
329.13992	1.5
337.05698	6.0
356.05212	1.7
357.06131	6.1
358.07028	1.2
371.07709	2.4
372.08542	1.4
397.14743	4.5
415.43292	0.9
441.13931	3.8
443.13223	1.1
459.15036	10.5
460.14575	0.9
501.30643	1.8
519.31610	1.2
545.29700	5.3
563.30768	5.0
605.18842	19.3
605.33392	3.0
606.19061	1.2
620.65759	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36394	1.3
57.03439	3.7
59.01389	17.1
60.16342	1.4
67.01879	1.6
68.99828	4.2
69.03465	3.7
71.01385	29.3
71.54407	2.2
71.54759	1.6
72.99309	9.1
73.02951	3.7
75.00882	22.2
83.01395	3.7
85.02962	28.7
85.96142	1.5
86.03333	1.5
87.00884	9.0
88.11831	1.5
89.02457	9.4
95.01403	6.2
96.96008	6.5
99.00897	30.8
101.02457	2.2
103.00430	2.5
109.02997	2.7
111.00871	4.2
113.01721	2.7
113.02460	29.7
115.00423	2.1
117.01952	2.5
117.03483	2.1
119.05000	1.6
122.34635	1.6
125.02434	2.2
129.01950	3.8
133.02948	5.7
134.03758	86.0
135.04497	6.8
135.94835	1.4
137.02493	3.7
149.06117	15.5
157.01465	6.7
160.01668	13.9
161.02460	5.6
163.03990	1.8
175.02570	3.7
175.03996	21.5
177.01901	1.9
178.02730	14.8
179.03506	2.0
193.05074	74.7
194.05460	1.9
215.37764	1.9
221.04480	1.9
231.05077	4.3
249.06140	29.5
252.06497	2.2
253.07231	3.1
267.07065	43.7
325.53143	1.7
336.27014	1.7
340.24908	1.5
349.09119	3.4
381.11899	3.5
392.95773	1.7
411.08920	1.6
425.10986	43.6
426.11319	4.0
443.11957	100.0
444.12219	7.2
467.12366	1.9
485.13010	2.7
519.36914	1.6
605.17273	99.1
606.17792	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	605.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	12.4
59.01387	19.3
60.98315	2.3
61.98824	3.9
69.26128	9.8
69.26550	9.2
71.01403	13.7
72.11165	2.1
72.99324	3.4
73.02944	2.6
75.00883	6.4
80.91697	4.1
83.01392	4.8
85.02959	17.1
89.02431	8.4
95.01395	2.5
96.96022	22.1
99.04536	4.9
101.02451	8.1
102.64213	2.1
113.02456	6.6
117.03435	2.8
119.03580	2.8
123.67358	2.4
125.02435	3.7
129.01918	4.5
134.03738	7.4
134.16643	2.4
135.03065	2.2
136.01701	19.7
137.02490	2.4
142.40131	2.1
149.04572	2.4
149.06093	4.2
151.04034	19.9
159.04520	3.2
165.04068	6.1
171.40926	2.5
178.02724	3.2
179.15891	2.1
191.01974	3.8
193.05113	7.6
243.03152	2.4
249.06207	3.7
268.03909	11.4
269.04581	100.0
270.04901	3.8
283.02545	5.8
285.04092	4.2
296.03171	4.4
311.05646	10.1
341.10434	3.0
357.13461	25.2
383.11203	2.6
427.00562	2.7
457.11887	3.2
473.16748	5.2
513.21387	3.0
563.14069	2.8
605.14752	37.5
605.31976	3.5
606.15320	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	603.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	41.5
61.98820	4.2
70.53392	6.4
78.95936	2.5
78.98686	1.8
83.05029	4.4
85.02934	2.4
96.96004	4.6
142.27463	1.7
163.11201	1.8
165.12907	3.3
171.10324	11.4
172.10629	2.3
207.10225	2.5
209.11848	100.0
210.12193	4.3
227.13014	9.8
231.15874	3.3
307.86542	1.9
366.61414	1.9
485.61035	2.6
493.27621	3.3
603.31262	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	605.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.8
57.03455	12.4
59.01383	14.0
59.12249	1.0
61.94842	1.1
68.99824	1.5
71.01389	15.8
72.99317	3.8
73.02957	2.0
75.00885	36.2
82.07334	1.0
82.30070	1.2
82.95419	2.1
83.01405	2.6
84.02170	2.0
85.02962	100.0
86.03336	1.0
87.00906	5.7
89.02465	3.4
95.01415	2.2
96.96031	2.0
99.00901	3.4
103.00397	3.0
111.00908	3.6
113.02459	8.2
115.00407	1.5
119.05022	9.2
129.01950	23.1
134.03752	6.4
135.11888	1.5
145.02985	2.1
147.02998	10.2
149.04588	2.5
149.06111	4.8
149.31285	1.2
160.01685	3.1
161.02423	4.6
161.09947	1.3
163.04025	13.6
164.73041	1.0
165.04066	35.4
165.05470	1.8
165.65320	1.4
173.00839	5.4
175.04015	2.5
179.10770	5.0
191.01993	84.0
192.02454	1.6
193.05000	3.4
198.25473	1.1
229.40079	1.6
235.06270	3.2
249.06172	6.4
267.06842	11.1
335.11551	1.4
337.05725	6.7
397.11371	14.6
429.17731	8.4
441.10269	3.1
459.11426	6.9
473.16690	21.9
474.17285	2.8
605.21112	10.4
607.37616	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84598	1.7
56.56759	1.6
57.03435	4.8
59.01387	16.6
63.77680	1.8
68.99820	4.7
69.31129	14.8
71.01393	22.9
72.99306	7.1
73.02943	1.9
75.00879	18.1
83.01434	2.0
85.02954	25.4
87.00871	6.6
89.02461	7.2
95.01395	7.5
96.96009	7.3
99.00893	15.7
101.02480	1.7
103.00392	1.8
109.02958	2.0
111.00932	2.3
113.02450	24.3
114.02729	1.9
115.00390	2.9
117.02016	3.7
117.03460	3.0
121.02914	2.4
125.02416	3.7
129.01973	2.6
132.02209	1.7
134.03764	64.0
135.04550	5.4
137.02428	5.2
145.50925	2.0
149.06076	14.3
153.94495	1.7
157.01378	2.5
160.01646	6.5
161.02449	6.4
168.92697	1.8
175.02644	2.6
175.03995	11.0
177.52695	1.7
178.02727	12.8
179.03423	4.6
191.29080	1.9
193.03357	3.4
193.05061	49.0
205.42964	2.0
231.05022	2.3
249.06158	31.5
267.07156	30.3
278.51941	1.7
381.11938	3.3
425.10846	16.2
443.11963	100.0
444.12286	7.0
485.12885	2.9
594.80029	2.1
605.17242	86.3
606.17529	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	603.303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.2
56.99820	0.5
57.03454	1.8
58.00602	2.7
59.01387	100.0
60.01722	0.8
69.03451	0.8
69.74880	1.3
71.01391	57.9
72.01731	0.7
72.99316	3.8
73.02956	15.1
74.02468	0.3
75.00902	0.7
78.91901	0.4
78.95916	0.4
80.91697	1.6
81.03465	0.4
82.95403	0.3
83.01400	5.4
85.02964	15.5
87.00890	3.6
89.02456	47.0
90.02787	0.3
95.01395	5.5
96.96032	1.0
97.02964	0.9
98.19973	0.5
99.00895	1.8
101.02457	36.0
102.02814	0.5
111.00925	0.4
112.01696	0.4
113.02464	37.9
114.02798	0.7
115.03986	0.3
119.03519	22.3
124.01727	0.5
125.02454	2.2
125.04968	0.2
131.03526	3.3
139.00400	0.2
143.03519	5.7
149.04602	2.2
156.03387	0.2
161.04572	8.3
179.05641	10.0
188.89381	0.3
194.52112	0.3
399.23727	0.3
521.33081	0.4
543.28204	11.1
544.28552	1.3
561.29230	19.5
562.29456	2.4
603.29999	1.1
603.39392	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00199	0.6
59.01387	5.9
61.98836	4.8
63.56289	0.5
64.79605	0.5
71.01387	2.8
71.54622	0.6
73.02941	0.6
78.95918	3.2
79.95750	2.4
79.97039	0.5
83.01390	1.0
83.05019	0.6
83.05858	0.5
85.02960	2.5
89.02455	1.2
95.01413	0.8
96.96026	100.0
96.96918	6.2
98.66161	0.5
101.02444	1.2
112.98553	0.8
113.02461	1.5
115.98649	0.5
117.03503	0.8
118.54393	0.5
120.42881	0.5
121.02939	0.5
125.02463	1.8
145.09952	0.8
151.00343	0.6
157.08694	2.4
171.10249	1.1
207.10257	1.5
209.11873	2.6
232.66374	0.5
243.03214	0.6
262.20605	0.5
269.04407	0.5
271.02469	4.2
293.04678	1.9
299.02002	10.2
300.02402	1.5
323.05746	0.9
455.09744	1.1
523.75232	0.6
543.28961	0.8
559.32550	0.9
561.37732	0.7
603.31708	0.8
603.38312	2.9
604.32434	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4692
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
59.01385	100.0
60.01719	0.9
63.12017	0.3
64.24828	0.4
70.98973	1.0
71.05021	3.1
76.28594	0.4
81.03468	1.3
83.05038	2.0
85.02959	1.3
87.04539	0.4
99.04537	1.1
101.06091	12.2
115.07669	0.8
141.12862	1.1
155.14427	0.9
167.14378	1.2
167.30560	0.4
169.16002	2.9
183.17509	0.9
195.17548	1.3
197.19121	4.4
207.17580	0.5
213.18680	1.3
223.20601	0.6
225.18669	1.5
225.22081	0.8
227.20172	1.5
229.62589	0.4
237.22202	0.5
241.21767	0.8
243.19659	0.5
253.21770	0.6
255.23297	3.2
267.19650	0.8
267.22604	0.5
269.21185	2.8
271.22806	0.5
279.23312	0.6
285.20746	13.1
286.21133	0.6
287.22305	10.2
297.24374	4.1
303.18301	0.8
303.21777	14.9
304.22174	0.7
313.23853	5.1
315.25412	24.4
316.25714	1.3
329.23462	2.9
331.24911	14.1
331.28082	0.3
332.25314	1.1
345.22821	10.4
357.26514	1.6
373.26065	1.8
565.44543	0.9
583.36285	0.6
583.45789	14.0
584.46515	2.0
601.46893	33.0
602.47235	4.3
607.78125	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.8
59.01387	100.0
60.01717	1.2
65.03988	0.8
70.76276	2.2
71.05025	3.3
71.56093	0.8
71.72691	0.8
81.03463	2.4
83.05030	2.0
99.04531	1.6
101.06095	13.2
114.74433	0.9
116.29278	0.8
125.06115	0.9
137.25208	0.7
155.14427	1.6
169.15988	1.9
183.17548	2.5
195.17599	1.4
212.37123	0.9
221.77615	0.8
227.20100	2.0
255.23352	1.6
269.21225	4.3
271.22766	1.2
285.20871	1.6
287.22351	6.2
297.24292	1.9
303.21786	1.4
313.23941	1.6
315.25290	5.2
329.23358	22.0
330.23682	1.3
331.24899	5.9
357.26508	7.1
488.83914	0.8
516.90509	0.9
522.43390	0.9
565.44806	1.4
583.45837	30.8
584.45978	3.4
601.46912	90.2
602.47205	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	601.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53434	0.7
57.03457	1.7
59.01387	100.0
60.99321	0.7
70.99603	1.5
71.05038	2.8
81.03465	1.1
83.05029	1.7
85.02940	0.8
87.04530	1.0
97.52215	0.6
99.04541	1.5
101.06097	11.9
141.12848	0.9
153.55782	0.6
155.14442	2.3
167.28427	0.7
169.16005	1.3
183.17549	3.1
195.17496	0.8
197.19174	1.8
213.18658	2.0
223.20708	1.9
227.20178	2.8
235.20715	0.8
243.19669	0.7
247.40446	0.7
253.21713	0.8
255.23282	1.9
269.21259	6.0
271.22781	1.7
285.20804	3.3
286.21091	0.7
287.22281	5.9
297.24417	3.3
303.21805	4.3
313.23929	1.4
315.25455	5.3
329.23361	21.2
330.23721	1.8
331.24908	10.9
345.22949	2.3
357.26456	5.9
405.20291	0.6
435.76550	0.6
565.44580	2.6
583.45795	28.1
584.46344	3.6
601.46869	78.8
602.47278	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	601.469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.4
59.01386	100.0
71.05026	5.4
71.27321	1.4
73.06592	0.8
73.59692	0.6
77.24790	0.6
83.05043	1.5
99.04516	0.9
101.06091	17.2
101.06769	0.9
137.93021	0.6
141.12819	0.8
153.74599	0.7
155.14398	1.4
161.79303	0.7
169.15974	2.8
183.17609	1.4
195.17543	1.5
197.19107	2.5
223.20749	1.5
227.20181	3.3
255.23274	1.2
258.72543	0.6
267.19992	0.5
269.21259	8.3
269.24164	1.0
271.22754	2.1
285.20700	6.9
287.22287	8.1
297.24255	2.6
303.21759	5.4
311.22659	0.8
313.23849	2.9
315.25427	8.6
325.05170	0.7
329.23355	21.4
330.23972	1.1
331.24927	14.3
332.25000	1.0
345.23013	2.2
357.26517	3.3
495.82108	0.7
523.43628	1.3
583.45831	28.2
584.46545	3.3
601.46869	69.3
602.47144	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	603.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.1
60.99314	7.5
69.20644	16.1
87.00892	4.1
88.00410	9.0
88.95087	1.5
88.98819	41.9
89.02454	100.0
97.35951	1.5
148.90982	1.9
170.37903	1.5
210.24962	1.8
270.56985	1.5
277.21725	1.8
309.74518	1.6
347.43613	1.7
603.19745	2.0
615.13251	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	65.7
59.08287	4.2
61.98830	7.8
64.03977	3.4
71.01408	11.6
89.02447	9.0
98.20663	11.1
101.02477	15.9
113.02459	6.9
123.04564	6.1
125.09711	4.5
137.02402	4.3
143.41878	4.5
160.81377	3.8
161.04597	6.1
163.11296	8.8
171.10284	7.1
191.14441	10.4
209.11856	100.0
210.12053	4.7
211.13335	6.6
227.12965	9.0
240.25797	4.1
245.19171	16.0
253.09293	27.7
289.18170	74.4
290.18301	5.5
307.19180	67.7
398.86597	3.7
536.69543	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	599.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94256	1.0
57.03451	1.6
59.01382	13.4
61.98840	16.6
68.01556	1.0
71.01396	7.5
71.55365	1.0
72.99320	1.6
73.02956	1.7
75.00882	3.4
78.95893	1.1
83.05049	1.1
85.02957	10.8
87.00870	1.5
89.02453	4.7
95.01384	1.4
96.96021	14.7
98.20604	1.0
98.95554	1.2
101.02442	3.8
109.03031	1.7
111.00840	0.9
113.02461	6.2
116.92869	2.4
118.68734	0.9
119.03540	1.5
125.02431	1.9
128.03548	1.4
129.01990	1.5
137.02559	1.0
138.22096	0.9
161.04535	2.3
165.05585	1.2
177.12881	4.1
179.05621	1.3
190.42458	1.1
191.01988	4.8
195.13922	74.7
196.14206	3.5
203.10811	1.5
221.11859	1.8
239.12918	100.0
240.13235	5.9
263.12943	2.4
281.13666	1.7
290.86948	1.1
301.34384	1.2
401.18182	53.8
402.18649	3.1
564.30853	1.2
579.47784	1.0
599.21686	3.9
599.30072	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99340	1.0
57.03452	3.3
58.26958	1.1
58.83699	1.1
59.01385	100.0
67.30686	0.9
71.05030	4.7
72.11327	1.0
73.02969	1.2
81.03421	1.2
83.05063	2.2
85.02943	1.5
87.04565	1.6
96.96974	1.3
98.20665	3.3
101.06094	19.5
124.19211	1.0
137.08424	1.1
141.12854	2.4
155.14470	4.3
167.14407	1.9
181.16093	1.1
195.17546	3.6
227.20207	1.6
241.21709	1.1
243.19554	1.7
253.21721	1.4
257.39505	1.4
269.21213	4.3
285.20731	5.4
287.22189	6.8
295.22812	9.9
301.20267	1.8
303.21793	37.6
304.22186	3.1
311.22180	3.1
313.23837	10.2
315.25470	2.8
329.23343	16.3
355.24936	8.4
355.61926	1.1
581.44360	17.7
582.44476	2.9
599.45367	49.2
600.45520	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	600.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03485	0.3
58.34242	0.2
59.01379	0.9
61.98838	100.0
63.45393	0.2
69.26640	2.1
69.45240	0.2
71.01400	0.6
75.00863	0.3
78.95969	0.2
82.17272	0.2
85.02959	2.0
89.02483	0.4
96.96028	2.0
97.76624	0.2
113.02425	0.3
119.05020	0.2
125.02492	0.4
128.03607	0.3
129.01952	0.4
142.41982	0.3
150.03206	0.2
153.02011	0.4
162.03224	0.3
165.05518	0.4
170.86691	0.2
191.02019	1.1
193.05077	0.2
195.06635	0.5
196.07430	0.2
227.40910	0.2
433.81479	0.2
600.32532	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34930	0.6
56.96838	0.7
59.01384	100.0
60.01717	0.9
61.98831	0.8
65.51381	0.7
69.15125	6.8
72.33932	0.8
75.11571	0.6
90.97166	0.9
98.19888	1.7
114.98914	0.9
115.02538	6.7
115.43413	0.7
117.00460	6.6
132.74683	0.8
132.98230	2.3
132.99164	0.9
141.00470	0.8
156.99890	1.5
157.03641	2.7
159.01509	70.6
160.01617	3.0
168.39145	0.6
174.99252	16.8
176.96562	1.0
176.98123	19.4
177.98296	1.5
201.00688	1.4
201.02570	26.9
201.44714	0.6
202.02852	1.2
203.02318	0.6
217.00319	47.9
218.00679	1.7
222.06140	0.7
232.98280	1.0
241.00801	0.6
259.01666	3.0
274.99500	2.7
275.99619	0.8
301.02686	56.8
302.02850	7.1
317.00436	38.6
318.00677	2.7
332.98407	1.8
359.01468	19.3
360.01843	1.4
374.99503	2.4
401.02713	0.7
459.01584	14.2
460.02066	1.9
498.99515	1.3
512.15326	1.0
541.00665	34.4
542.00806	6.2
559.00269	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
61.98841	3.7
63.13147	0.1
69.89834	0.6
71.01374	0.4
78.95923	0.3
79.95750	3.0
85.02948	0.4
96.96022	100.0
97.95954	0.3
98.19952	0.2
101.02451	0.3
102.50938	0.1
125.02447	0.3
154.54489	0.2
165.09213	0.4
171.34418	0.1
209.03085	0.2
209.08224	2.4
255.11261	0.2
283.06744	0.1
363.42694	0.1
383.07852	0.1
462.62848	0.2
503.17737	1.0
583.22815	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
59.01387	1.5
61.98841	19.2
67.79327	0.4
69.82053	0.3
71.01378	0.7
71.54343	0.6
72.99305	0.4
73.02948	0.4
75.00883	1.9
77.66550	0.3
81.03469	12.6
81.03946	0.7
83.05039	36.4
84.05371	0.9
85.02960	3.7
96.96017	1.6
99.00971	0.4
100.07701	5.6
112.02766	0.4
125.02471	0.4
126.05632	0.8
127.04057	0.6
133.03024	0.5
141.63779	0.4
147.67000	0.4
177.01912	0.9
191.01970	2.4
195.06615	0.4
199.18195	6.6
209.04628	0.7
224.17659	0.7
225.07639	0.6
225.16103	9.7
226.14516	0.5
231.10268	0.6
243.17155	19.4
244.17401	0.7
269.15054	1.7
309.21970	1.3
341.06546	0.5
353.20831	6.9
354.21515	0.5
425.34811	0.4
435.15247	1.3
451.32901	1.9
465.27240	0.7
469.33990	13.0
470.34244	1.4
579.37738	2.9
580.38226	0.5
597.38794	100.0
598.39063	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	597.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82656	0.6
55.01808	7.4
57.03395	1.7
57.03644	0.6
57.93447	0.7
58.00551	0.7
59.01310	9.3
61.98756	12.8
71.01305	13.2
71.54770	0.7
71.55149	1.1
72.99262	1.5
73.02878	2.4
75.00799	9.7
83.01341	1.5
85.02951	7.9
87.00793	2.0
89.02457	4.4
95.01335	1.2
96.96013	5.0
99.00817	1.7
101.02448	7.5
105.68740	0.9
111.00838	1.5
113.02341	3.2
124.01647	0.9
129.01854	2.3
147.02994	4.5
150.03162	0.7
162.03116	0.8
165.03973	1.9
180.03915	0.7
183.13828	1.0
221.18932	2.4
265.18127	0.8
269.21243	3.6
283.19025	1.4
287.22293	37.0
288.22647	2.4
301.20181	4.7
301.23233	0.9
375.27771	1.1
399.23886	5.4
431.26740	3.4
449.27618	100.0
450.27942	7.5
519.19855	1.2
597.31500	63.3
598.31854	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	597.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.1
57.03443	2.0
59.01389	42.7
60.01721	1.3
61.98846	6.7
71.01384	22.4
73.02939	8.1
75.00883	1.4
82.53063	1.5
83.01404	5.9
85.02964	15.5
87.00884	2.6
87.98586	1.3
89.02459	3.7
89.45927	1.7
95.01388	1.9
99.00919	2.2
101.02455	17.6
111.00948	2.3
113.02474	9.8
125.02436	11.2
130.85982	1.5
133.02972	8.4
159.03038	2.0
161.04575	5.4
177.01944	3.9
193.01494	2.4
197.74429	1.5
270.05164	1.4
285.04044	4.1
327.05112	1.8
377.26398	1.6
419.11789	2.2
440.84717	1.6
447.09241	1.9
537.29205	100.0
538.29553	13.4
562.16431	1.4
597.23914	8.1
625.55988	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59008	1.0
54.37868	1.0
57.03451	4.2
58.82361	1.1
59.01377	5.5
61.98836	5.1
68.99833	1.8
71.01389	5.8
71.54870	1.2
72.99318	1.5
73.01064	1.1
73.02954	1.5
75.00880	1.9
81.03468	8.4
83.01390	5.1
83.05025	2.9
85.02958	11.3
88.98828	1.3
93.03465	6.4
95.01385	3.4
95.05026	5.3
96.96035	11.1
97.02972	4.5
97.06625	1.2
99.00818	1.6
99.04546	2.8
101.02457	2.0
107.05042	2.2
109.02943	4.3
111.04517	3.9
113.02470	2.9
119.05045	7.6
121.02944	4.7
121.06543	1.7
123.00883	2.3
123.04527	17.3
125.02450	16.4
129.01990	2.0
133.02945	2.9
135.04533	4.6
137.02441	4.5
137.06100	7.0
139.04028	10.5
140.82458	1.2
147.03047	1.2
147.04553	2.9
149.02399	1.9
149.06027	1.7
151.04018	2.6
151.07602	1.1
155.03520	1.5
161.06093	3.0
163.00406	1.2
163.04027	5.2
164.04723	1.6
165.01895	3.1
165.05527	7.1
166.02711	1.7
167.03519	27.7
177.01917	1.9
177.05568	2.5
179.03516	6.9
179.07123	1.4
180.04210	1.7
181.05072	3.2
189.05650	7.6
191.01973	3.4
191.03502	2.0
193.05063	4.3
197.04552	5.0
207.06648	1.9
209.02765	2.2
209.04579	27.1
217.01302	1.4
219.03093	1.5
221.04564	4.7
223.06169	2.1
233.04561	1.5
237.07312	1.2
239.05659	10.6
243.17172	1.8
251.05632	4.6
263.05438	1.6
263.12970	1.7
269.06586	2.0
273.07703	4.6
275.86197	1.3
285.04138	1.4
315.08783	19.2
327.08707	8.2
341.06577	1.2
341.10391	2.8
345.09824	5.7
356.07849	1.3
357.09818	100.0
358.10306	5.7
369.05908	1.6
369.09891	3.1
387.10892	84.9
388.10938	7.1
399.10901	3.6
417.06378	1.6
417.11902	26.2
418.12201	1.5
419.12375	1.6
435.10434	1.4
459.13058	8.3
465.26984	1.9
477.14047	25.3
478.14182	1.7
489.14948	6.7
492.10870	1.5
507.15079	4.1
579.15521	6.6
596.31232	2.4
596.39935	6.0
597.18341	13.2
597.31622	6.2
597.40424	2.8
598.18842	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	597.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
59.01374	2.4
61.98830	2.9
64.45914	0.6
68.99805	1.3
69.03458	1.1
69.25307	6.0
71.01378	2.7
73.02948	0.9
73.35858	0.6
73.36275	0.6
75.00881	2.4
81.03469	6.7
83.01388	6.2
83.05028	1.0
85.02962	2.7
93.03484	5.2
95.01397	1.9
95.05035	5.0
97.02965	4.6
98.19953	1.5
99.00875	0.6
99.04520	2.0
101.02469	1.1
105.03497	0.7
107.05016	1.4
108.02191	1.0
109.02952	2.9
109.06625	0.7
111.04543	3.3
113.02463	2.0
119.05040	9.0
121.02973	3.7
121.06614	1.5
122.03764	0.9
123.04543	15.2
125.02464	12.6
131.05055	1.2
132.66479	0.6
135.04573	4.0
137.02441	5.8
137.06116	7.8
139.04016	10.8
141.05568	1.6
145.02989	0.7
145.06621	0.9
147.04527	3.3
149.02435	2.0
149.06024	1.6
151.04063	3.4
153.05623	1.8
155.03491	1.1
161.06058	2.1
163.04027	3.7
163.07675	1.5
164.04733	0.7
165.01945	2.5
165.05595	5.7
166.02670	1.5
167.03511	27.2
168.03876	0.7
175.04002	0.8
177.05597	2.6
179.03522	8.6
179.07164	1.2
180.04216	1.3
181.05072	2.7
189.05608	6.8
191.03500	2.8
193.05095	4.1
197.04607	4.3
205.05000	1.1
207.03070	1.3
207.06607	2.6
209.04590	26.6
210.04964	1.1
219.03040	1.3
219.06677	0.9
221.04619	5.0
223.06168	1.3
229.08780	1.2
233.04449	2.4
235.06050	1.1
239.03424	1.0
239.05637	9.4
247.06213	0.7
251.05624	3.7
263.05734	1.6
269.06668	2.5
273.07657	3.0
281.06769	0.7
285.07761	1.5
313.10587	0.6
315.08786	16.6
327.08807	7.1
341.10141	1.6
345.09760	6.0
346.10181	1.0
357.09824	100.0
358.10156	5.9
369.09756	5.0
371.11395	1.9
387.10895	75.0
388.11285	6.7
399.11081	4.2
417.11911	24.1
418.12372	2.5
429.12003	2.3
435.13000	0.8
441.11728	1.1
459.13013	10.5
471.13113	1.8
477.14066	17.1
478.14111	1.5
489.14084	6.6
490.14413	1.0
507.14957	2.9
579.16797	1.7
597.18292	7.9
597.78851	0.8
598.18762	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.3
67.75677	4.1
69.03457	11.4
69.72703	25.9
71.01376	14.8
81.03465	24.8
83.01387	24.5
85.02953	16.6
85.49860	3.9
93.03458	29.1
95.01395	12.1
95.05040	11.1
96.96025	32.5
97.02986	31.3
98.19876	4.9
99.00883	7.4
99.04517	8.1
107.01407	13.2
107.04977	9.1
108.02135	6.3
109.02969	25.1
111.00898	5.7
111.04518	14.6
113.02464	7.1
117.03426	5.5
119.05040	9.1
121.02953	18.6
123.00861	6.7
123.04530	40.7
125.02466	88.0
128.31194	4.0
135.04518	19.6
137.02451	51.0
139.04042	17.7
145.03020	4.7
147.04491	10.7
149.02435	28.2
149.06143	5.7
150.03194	4.9
151.00368	7.9
151.03961	17.7
153.01956	10.7
155.03441	9.1
158.07379	4.4
159.04489	6.2
161.02425	7.3
163.00356	8.0
163.03996	12.2
165.01904	18.2
165.05573	15.0
167.03511	70.4
176.01155	5.7
177.01982	41.9
177.05513	7.3
179.03522	37.6
180.04163	7.4
181.04922	6.4
189.01974	4.6
189.05510	6.1
191.02019	6.1
191.03523	27.6
193.01430	19.9
193.05058	7.2
195.03030	8.0
197.04601	32.3
203.03500	9.1
205.01407	19.0
205.05063	5.9
206.01944	5.1
207.02946	25.6
209.04572	63.0
219.02943	21.4
221.04478	18.7
223.02473	14.6
225.04134	5.3
233.04448	8.0
235.02509	35.6
237.04008	17.9
239.05630	73.0
247.02466	20.8
249.03946	16.3
251.05605	10.7
253.03429	8.3
255.05278	6.0
261.04102	7.6
265.03552	60.4
267.05142	12.9
269.06723	44.1
277.03433	16.0
279.05090	15.9
281.06702	7.4
291.04987	6.3
293.02847	7.2
295.04578	74.6
297.06125	12.4
299.07700	8.9
307.04611	6.1
309.06149	6.3
311.07654	7.4
325.05731	30.7
327.07343	5.3
328.82657	4.5
337.05771	14.9
339.07330	10.4
355.06879	15.4
357.08746	5.3
367.06647	8.6
385.07764	8.7
387.07239	85.1
388.08417	7.5
399.07156	16.6
417.08289	100.0
419.11923	7.3
429.08133	11.3
445.10291	6.4
447.09317	43.6
448.09290	5.7
453.82834	5.5
457.10193	4.8
459.09512	14.5
477.10400	56.7
489.10245	24.6
507.11395	48.5
519.11200	9.6
537.12915	7.6
579.13269	12.3
597.14655	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2891
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
57.99424	1.0
59.01395	1.3
78.91891	3.2
78.95915	73.8
91.32229	1.0
96.96973	16.2
98.28614	0.9
99.53515	0.9
103.69578	1.0
148.45389	1.0
149.42743	0.8
150.98074	1.3
152.99603	62.4
167.28181	0.8
174.20470	1.0
184.17368	0.9
223.00206	1.7
241.01202	35.4
242.01465	1.2
279.23315	70.4
280.23483	4.6
315.04831	11.1
325.66141	1.0
415.22443	5.2
478.35986	1.1
595.28949	100.0
596.29114	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	595.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.0
57.03446	5.1
58.00592	1.5
58.73138	1.1
59.01390	43.3
60.85344	0.9
61.45242	1.0
61.98841	8.9
62.58707	1.1
66.94855	1.1
70.67704	1.1
71.01391	25.9
72.99326	1.4
73.02954	9.9
75.00897	3.0
75.87848	1.2
81.03470	1.2
83.01411	3.8
85.02960	36.3
87.00896	3.4
88.98797	2.4
89.02455	8.5
89.03386	1.1
95.01379	2.4
96.96030	3.8
99.00899	6.7
101.02456	19.3
111.00906	2.7
113.02467	14.0
115.12196	1.0
117.03488	1.9
118.11426	1.0
119.03568	1.9
124.06134	1.3
129.01956	2.8
147.03001	2.4
159.02980	2.5
161.02419	1.4
161.04561	5.5
189.63048	1.2
191.01979	10.8
191.03450	1.6
209.03085	3.6
227.03503	4.8
228.03873	1.9
229.04071	1.4
253.18184	1.6
255.03021	6.1
256.03394	6.4
257.03705	3.4
271.19092	1.7
283.06204	1.6
284.03265	7.6
284.06308	2.4
285.03937	14.8
286.04037	13.3
287.04776	8.0
297.07703	2.1
298.07965	1.6
299.05728	3.1
300.06174	1.6
301.06204	2.8
312.06052	1.6
323.05771	1.4
325.06436	1.9
345.22845	2.4
353.06464	2.3
354.07016	2.5
355.07230	4.3
371.06137	1.3
373.18381	1.6
373.22321	5.6
383.07480	1.4
385.08356	1.6
433.13531	7.5
464.19983	1.5
473.10901	1.3
475.11475	2.7
491.10837	5.6
535.27631	100.0
536.27881	10.9
551.23456	1.8
551.32196	1.5
559.14081	1.6
577.14789	27.8
578.15112	1.8
595.15717	26.7
595.29614	18.2
596.16406	1.4
596.31281	1.9
596.40497	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	595.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66185	1.1
55.01885	1.9
55.65643	1.2
58.00597	2.5
59.01388	100.0
61.98828	2.9
67.34317	1.1
69.28954	9.3
71.01015	2.4
71.01392	45.7
72.99328	3.5
73.02948	3.0
75.00875	3.7
78.97018	1.2
83.01398	2.0
85.02962	14.4
87.00872	3.2
89.02457	54.4
95.01403	4.5
98.46114	1.2
99.00887	3.8
101.02455	30.4
111.82867	1.3
113.01722	2.4
113.02466	24.3
113.03251	1.5
117.03442	2.6
119.03522	23.8
119.05049	2.0
121.03049	1.6
121.10215	2.3
125.02474	2.2
127.62426	1.3
128.59056	1.3
129.01910	1.3
129.73361	1.3
131.03506	2.2
133.02979	2.1
143.03471	4.9
147.04367	1.2
149.04573	3.3
150.67221	1.2
161.04539	6.4
167.03493	2.5
177.01982	1.8
179.05629	15.5
191.01929	1.4
209.04555	4.7
209.32333	1.3
216.56094	1.3
239.05675	4.2
249.06277	2.4
267.06918	1.7
269.06497	1.4
298.04889	1.6
299.08432	1.3
313.06689	2.4
325.06943	2.3
341.05664	1.7
351.07788	1.3
353.06424	2.6
354.07043	2.8
355.07523	5.7
369.06198	2.2
371.07007	4.2
385.08905	4.0
401.08005	3.8
457.10867	1.5
461.09927	4.7
473.11096	1.6
475.11795	7.7
500.53790	1.5
505.12503	3.1
535.27643	79.5
536.27972	8.0
551.19360	2.2
553.28571	2.6
595.15527	27.4
595.22778	14.3
596.15131	2.8
596.23511	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.2
59.01362	3.0
64.13938	1.9
67.42226	1.6
69.03487	4.0
70.94019	4.4
71.01375	4.7
73.02943	2.0
81.03471	15.8
83.01390	20.1
85.02962	6.9
93.03438	4.6
95.01418	4.1
95.05025	8.0
96.96025	5.7
97.02955	10.8
99.04525	8.3
107.05059	3.5
109.02979	11.5
111.00880	3.1
111.04491	4.8
113.02467	5.1
119.05004	2.3
121.02956	8.5
121.06686	2.2
122.03710	3.1
123.00854	2.3
123.04536	37.4
125.02464	53.6
133.02985	23.4
135.04527	6.0
137.02455	18.2
137.06091	2.6
139.04010	6.5
147.04561	3.2
149.02441	5.8
149.06145	2.2
150.03198	6.5
151.04027	11.1
153.05630	3.6
155.03532	2.8
160.05914	1.8
163.00487	2.4
163.04001	4.2
165.02025	2.8
165.05568	10.9
166.02663	2.3
167.03516	55.7
168.03877	2.2
175.04068	2.1
177.01945	15.1
177.05547	2.9
179.03528	17.2
181.05110	4.5
191.01918	2.7
191.03488	5.1
193.01440	2.1
195.06532	4.0
197.04614	18.2
203.03590	2.2
209.04578	100.0
210.05011	3.6
217.05087	2.2
219.06665	2.4
220.03644	2.6
221.04556	5.8
235.02504	7.8
239.05635	85.2
240.05859	2.8
247.02385	4.0
251.05565	7.7
269.06702	38.2
277.03598	18.7
281.06720	10.7
289.07306	3.5
298.07913	2.5
299.07797	23.1
300.08316	2.8
302.09747	2.0
307.04575	11.9
311.07736	6.5
329.08844	19.2
337.05585	4.0
337.09293	2.5
341.08710	4.2
355.07001	4.1
356.07596	3.1
357.07669	2.7
359.09943	2.3
367.06808	4.6
386.09140	2.0
387.07211	60.9
388.07428	4.1
397.07852	5.4
399.07144	2.1
401.10727	3.5
411.07736	2.2
417.08316	37.2
419.12094	13.1
447.09207	6.6
459.09222	5.1
477.10382	24.9
489.10416	4.2
507.11240	14.0
597.16052	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
57.03445	2.7
59.00549	0.7
59.01387	30.9
61.98818	1.3
65.03982	0.8
68.99815	1.4
69.03439	1.3
71.01013	1.6
71.01390	23.4
71.55015	1.0
72.99317	5.5
73.02951	2.8
73.13678	0.8
73.95052	0.8
75.00884	8.8
76.58022	0.9
81.03437	0.9
83.01406	3.2
84.72325	0.8
85.02962	19.3
86.03246	0.8
87.00894	4.1
89.02464	10.2
93.03445	1.7
95.01397	4.0
96.96024	1.7
97.02966	0.8
99.00886	7.8
101.02454	7.3
103.00384	1.0
111.00867	1.0
113.02469	17.7
117.01940	1.9
117.03464	1.1
119.03500	3.6
119.05024	1.2
121.02961	3.4
121.10217	2.4
123.04523	1.5
125.02457	2.2
129.01933	1.3
135.04504	1.6
137.02492	1.0
143.03397	0.9
145.02908	1.0
147.04578	0.9
149.02446	1.7
151.00421	1.2
157.01494	1.0
161.02451	0.8
163.04089	0.9
165.09189	1.4
167.03500	2.3
177.01915	1.1
177.05643	0.9
179.03497	2.3
191.01974	1.7
191.03571	1.3
197.04590	1.2
205.01385	1.0
209.04608	3.9
219.03064	1.1
239.05699	2.3
249.03909	1.1
249.06241	8.7
267.06985	1.8
269.06787	1.4
283.06168	1.1
285.06848	0.9
293.03104	0.9
297.07629	1.0
300.02603	1.5
301.03656	3.6
325.06613	1.0
330.47455	1.0
341.06024	2.6
345.15369	3.9
353.06415	2.0
355.08005	2.4
357.06134	0.9
368.51016	1.0
369.05817	1.1
371.07361	1.5
387.06931	0.9
401.08777	1.9
415.06311	1.5
459.09100	1.7
460.09766	1.4
461.09888	4.0
475.11026	1.9
491.10938	2.4
505.09964	1.7
519.12524	1.0
535.27533	4.6
577.21399	2.4
580.88080	0.9
595.14178	11.5
595.22589	100.0
596.15356	1.1
596.22961	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	595.2892
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
51.00206	1.0
51.85495	0.8
51.93155	0.8
61.69887	0.9
69.50764	5.9
69.60415	1.0
75.83511	0.8
78.95910	67.8
96.96973	13.7
152.99599	99.0
171.00621	3.5
181.32358	0.9
223.00108	10.1
241.01196	24.6
259.02240	1.6
266.42630	1.0
279.23297	68.9
280.23703	3.7
315.04877	17.0
358.89066	0.8
594.12347	1.2
595.28906	100.0
596.29321	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	595.1676
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
56.27041	1.8
61.48716	1.5
71.01371	2.6
71.12703	2.9
75.01685	1.4
79.01876	3.0
81.03467	2.6
83.01380	2.9
85.02961	1.6
93.03453	7.5
93.86182	1.7
95.01393	2.8
97.02950	5.1
107.01378	8.9
109.02934	3.4
111.04538	2.7
117.03480	1.8
119.05041	46.9
121.02936	6.4
123.04497	3.0
125.02468	8.7
135.04517	3.9
137.02469	5.3
139.04025	7.6
143.05016	5.4
145.02965	8.6
147.04524	4.4
149.02441	5.3
150.03282	1.9
151.00394	6.2
163.00403	2.9
163.04001	3.0
165.01935	8.1
167.03487	9.6
177.01909	4.6
179.03450	2.6
185.06123	1.9
187.04016	7.5
191.03497	5.8
193.01433	9.6
197.04498	3.3
199.07655	3.5
205.01437	5.7
207.02991	3.9
209.04523	4.5
211.07639	2.1
219.03056	4.1
221.04509	2.6
223.02539	2.3
227.07170	2.2
233.04538	2.7
235.02486	12.0
239.05569	2.2
249.04033	2.9
261.04037	2.7
265.03552	5.2
268.13693	1.8
271.05997	3.5
277.03146	1.8
313.07233	18.3
325.07104	8.6
343.08099	8.3
355.08261	94.2
356.08472	7.8
367.08206	6.4
385.09363	76.8
386.09613	7.3
397.09286	4.6
415.10406	21.8
416.10974	2.8
427.10107	1.8
457.11301	7.4
469.11050	1.9
475.12543	38.0
476.12982	2.8
481.43161	1.6
487.12479	6.4
505.13483	12.0
552.30743	1.6
577.15643	3.8
595.16675	100.0
596.17059	9.0
602.96832	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	595.1693
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
57.03450	2.9
59.01375	4.0
68.99825	2.4
71.01379	3.9
71.54447	1.7
79.01873	1.4
81.03480	2.6
83.01387	2.6
85.02969	8.5
88.98820	7.1
89.80459	1.5
93.03465	7.2
94.82392	1.2
95.01393	2.8
96.96022	10.1
97.02965	3.4
98.19885	1.3
106.98504	1.3
107.01376	5.3
109.02957	4.7
111.04490	2.4
117.03483	2.3
119.05040	32.9
120.05366	1.5
121.02956	4.1
122.37601	1.6
123.00848	2.8
123.04504	3.6
123.50174	1.4
125.02457	15.0
126.02821	3.9
135.04538	4.4
135.05461	1.5
137.02446	6.9
139.04012	6.0
143.05035	3.1
145.02939	5.6
147.04541	2.3
149.02443	5.4
150.84636	1.6
151.00369	2.9
151.04039	2.5
155.03532	1.2
161.02414	3.4
161.06038	1.9
163.00362	4.3
163.03981	3.8
164.01147	1.7
165.01921	6.2
167.03462	7.1
175.04080	1.6
177.01944	8.1
177.05556	1.5
178.02333	2.6
179.03568	3.7
185.06093	1.8
187.03995	6.3
191.01933	3.4
191.03479	4.1
193.01425	8.4
197.04590	3.2
199.07625	2.4
203.03424	1.7
205.01479	6.8
207.02979	3.3
209.03003	6.3
209.04662	3.3
219.02951	2.8
221.04578	2.3
227.07181	2.6
235.02463	7.7
249.03952	2.2
261.04007	1.7
265.03604	2.9
267.06754	1.6
269.08139	1.7
271.06091	4.6
283.05994	1.9
287.05722	2.0
289.07224	1.9
291.08118	1.7
297.07532	5.3
298.07910	1.9
299.08258	3.1
305.06796	3.1
306.06940	2.1
312.06189	1.5
313.07181	16.5
325.07129	9.0
337.06897	1.8
343.08176	5.9
353.06512	6.6
354.07077	5.4
355.08206	71.6
356.08505	5.1
367.07892	2.2
383.07809	3.0
384.07990	3.6
385.09290	60.7
386.09692	5.0
397.08975	3.4
409.08987	3.2
415.10477	17.8
425.07825	2.6
427.09900	2.9
433.13269	4.8
457.11819	7.6
475.12350	35.8
476.12967	3.6
487.12643	3.6
505.13370	9.2
550.68835	1.4
577.15839	2.3
595.16357	100.0
596.16815	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	5.7
59.01387	100.0
61.98836	34.3
62.67947	2.8
71.01388	29.3
71.54628	4.6
73.02950	11.2
75.00879	7.0
78.95919	11.0
82.80206	2.9
83.01408	7.3
85.02979	28.4
87.00896	15.6
89.02477	14.4
93.03479	3.3
96.33823	3.0
96.96018	8.2
99.00901	5.3
101.02455	21.0
113.02464	12.5
117.03522	3.7
125.02448	4.0
129.01875	3.1
147.02968	3.2
147.64764	2.9
161.02452	3.4
161.04579	5.9
163.04070	4.1
170.84618	2.8
177.01974	4.3
179.03487	3.2
184.43045	3.0
191.01917	5.7
207.10258	9.6
295.06116	4.4
297.07654	19.2
311.05524	5.6
323.05551	4.2
325.07025	7.5
351.05368	3.4
353.06689	39.9
354.07101	5.6
371.28094	6.3
379.22919	3.7
383.07846	23.7
424.92004	3.3
473.10971	14.3
477.74905	3.2
489.34311	28.7
490.34296	3.5
503.11853	6.5
507.35370	11.2
533.33490	51.5
534.33679	9.8
575.14258	9.5
593.15167	86.2
593.25519	4.5
593.28284	3.9
593.36090	5.7
594.15601	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	593.355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	4.4
59.01385	100.0
61.98838	11.0
67.46586	2.4
69.53317	18.2
71.01394	14.5
73.02946	3.1
78.95901	14.5
81.03463	2.6
83.01369	3.5
85.02946	14.8
87.00901	5.8
89.02441	4.9
93.03462	4.5
95.01437	2.8
96.96018	3.7
101.02454	6.1
104.90527	2.8
113.02471	7.1
117.03517	3.2
125.02557	2.7
134.58603	2.8
137.02480	6.8
144.85660	2.7
152.99609	6.6
164.85440	2.5
177.01956	3.9
209.11865	4.9
211.13420	4.6
282.05405	4.2
283.06107	3.4
297.07846	14.4
335.05722	3.4
345.30203	8.2
353.06699	24.0
354.07065	5.6
363.12082	3.0
365.06567	4.2
383.07874	12.9
437.26031	3.7
473.10721	10.6
474.11774	3.0
489.34464	34.6
490.34796	4.5
507.35239	6.4
536.45654	2.9
549.32910	3.1
575.14056	8.8
575.25354	2.8
593.07013	11.2
593.15228	48.4
594.15497	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16314	0.4
50.36761	0.5
59.01380	1.0
64.37396	0.5
69.19154	3.9
69.19543	0.9
78.95915	71.9
79.69910	0.4
85.20196	0.5
90.55047	0.4
96.96979	13.1
107.89252	0.5
127.07691	0.5
150.98050	1.4
152.99606	100.0
153.99994	1.0
171.00710	2.4
223.00174	9.8
233.86240	0.4
241.01218	26.9
259.02271	1.8
277.21753	48.9
278.22028	2.8
315.04910	19.9
316.05197	0.8
333.06131	1.4
353.06427	0.5
383.07721	0.5
429.74695	0.5
473.10648	0.5
593.27380	84.6
594.27856	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	593.274
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63503	0.9
59.01383	1.7
61.98830	1.2
66.05840	1.0
77.08547	0.9
78.95914	73.9
83.04990	1.4
92.92844	1.2
96.96973	15.4
97.06539	1.2
119.05074	1.5
121.02932	1.9
125.02401	1.1
134.99867	1.1
138.25418	1.1
150.98053	1.2
152.99603	61.1
209.11841	10.9
223.00095	2.9
227.13020	1.0
241.01208	30.6
242.01614	1.1
243.39760	1.1
259.02338	1.4
270.55679	1.1
277.21744	49.8
278.22012	2.4
297.07617	2.0
315.04904	10.0
353.06967	4.7
383.07755	2.0
413.21109	7.8
572.38739	1.0
575.13965	1.2
593.15527	10.2
593.27325	100.0
594.27490	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	593.173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92712	0.9
54.92961	0.8
57.03466	5.8
59.01112	1.1
59.01382	11.8
69.03470	0.9
69.28461	7.2
71.01386	5.2
72.43243	1.0
72.99304	2.8
75.00878	5.1
77.12179	0.9
81.03479	1.0
83.01410	2.4
85.02950	5.8
87.00871	2.1
92.00336	0.9
93.03475	3.1
95.01395	1.6
95.05066	1.4
97.02959	1.2
99.00903	7.0
109.02968	7.7
109.06622	1.6
111.00937	0.8
113.02461	2.7
117.03445	3.7
119.05005	3.8
121.02969	7.8
123.04494	3.8
125.02467	39.4
126.02830	1.2
135.04480	4.9
137.02457	9.9
137.06104	13.4
139.04008	1.1
145.02960	1.4
149.02454	4.2
149.06088	1.2
151.04005	3.9
157.01492	1.5
161.02420	3.4
163.04030	4.4
165.01910	1.4
167.03500	1.4
173.06142	0.9
175.03957	4.2
177.01959	37.5
177.05470	1.3
178.02458	1.2
179.03497	2.7
181.05090	25.6
187.04005	2.3
191.03505	1.9
203.03447	2.0
203.07144	3.3
205.05055	2.3
213.05638	0.9
239.05647	2.0
243.03123	1.9
245.08266	3.5
249.06097	3.4
253.08934	1.0
255.02965	2.2
255.08801	4.3
256.03778	1.5
257.04443	0.9
261.04031	1.1
267.07013	1.0
273.04196	1.9
281.04599	1.9
282.05490	2.0
283.02411	0.9
283.06168	2.9
283.90317	0.9
289.07220	21.6
290.07626	1.0
295.06219	3.6
296.06937	2.2
297.07617	14.3
303.05124	3.8
307.06171	1.1
309.07700	1.6
311.05695	2.2
323.05630	2.8
325.07220	6.0
328.05734	1.6
335.05685	1.4
337.07202	2.5
353.06693	28.8
354.07181	1.0
365.06656	2.8
369.11795	1.0
383.07709	20.0
395.07770	2.2
407.07745	14.8
408.08157	1.0
413.11075	5.0
425.08823	7.8
431.11990	12.5
432.12375	1.2
467.09818	3.3
473.10889	9.4
503.11945	3.4
575.15527	1.1
593.15900	100.0
594.16211	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	593.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.7
59.01381	5.6
60.99313	16.2
71.01393	5.1
71.55092	1.6
73.02940	1.5
75.00885	2.2
75.13650	1.1
81.03450	1.8
83.01390	2.2
85.02963	11.2
87.00877	1.3
87.24864	1.1
88.98813	100.0
89.02457	2.5
96.96012	3.5
101.02449	1.3
113.02450	3.8
119.05060	2.8
125.02434	6.3
125.06030	1.9
129.01941	3.7
145.85257	1.5
161.02499	1.6
163.04001	3.3
165.09178	8.8
175.03983	1.3
191.01971	2.9
209.03078	1.3
209.08206	48.9
210.08649	1.5
266.55847	1.3
283.06091	2.4
284.03397	2.8
285.04163	1.3
295.06171	3.5
297.07620	7.7
299.05536	3.4
309.07217	1.4
311.05563	3.2
323.05493	2.9
325.07022	2.5
351.05325	2.6
353.06705	13.9
365.06714	2.0
369.05930	4.4
381.06247	1.6
383.07736	7.6
395.07858	1.2
399.06976	1.9
455.10327	1.7
473.11008	7.1
489.10364	4.3
503.17758	35.6
504.18149	2.2
575.14148	23.5
576.14355	1.5
593.15057	27.2
593.27563	7.2
594.15930	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1521
Annotation	CHEBI:68348
Peak:m/z	Relative Intensity
57.03440	0.9
59.01126	0.9
59.01389	13.2
61.98818	1.8
65.00331	7.9
69.84067	2.5
71.01389	8.3
72.99314	0.8
73.02946	2.2
75.00868	1.9
78.71992	0.6
83.01388	1.1
85.02971	6.1
87.00880	0.6
89.00345	2.0
89.02459	7.8
89.03969	1.7
91.01905	1.9
93.03452	2.3
95.01388	0.8
96.96015	2.5
97.02958	6.1
99.00879	2.4
101.02467	4.7
112.05412	0.6
113.02431	2.3
117.03507	1.3
119.03510	1.0
119.05006	1.0
121.02960	4.2
123.04503	0.7
125.02418	2.5
131.03493	0.9
133.02965	9.2
135.02998	0.9
135.04558	1.0
145.02974	2.5
149.02452	0.8
149.04533	2.2
149.99570	3.3
151.00340	0.9
163.00325	1.1
163.04031	1.0
165.01950	43.2
166.02271	1.4
171.10249	2.1
177.01909	0.9
179.05583	0.7
191.01935	1.0
196.05292	1.0
199.03828	0.9
201.01855	0.9
201.11118	0.6
210.01669	0.6
211.04062	1.1
212.04808	2.4
213.05548	0.9
213.95233	0.5
214.02762	5.2
223.04065	0.6
227.03413	0.7
228.04247	1.0
229.05072	8.0
231.06577	1.3
233.06683	1.6
239.03487	0.9
240.04349	5.4
241.04665	0.7
242.02208	1.7
243.06586	0.9
252.08818	0.6
255.03024	1.3
255.06522	2.7
256.03806	3.1
257.04578	1.0
267.03064	0.5
271.06143	7.4
272.06631	0.6
283.02518	2.4
283.05954	1.1
284.03284	9.1
285.04083	16.0
286.04376	1.3
293.08734	1.3
297.07718	3.3
298.04898	0.9
299.05640	100.0
300.05997	5.3
309.07721	0.8
311.05533	1.1
325.07339	1.5
343.21417	0.7
353.06604	6.4
356.12830	0.7
365.06644	0.9
369.06049	0.7
371.14951	1.0
383.07742	3.5
413.25436	0.7
421.20776	6.3
440.33490	0.6
473.11026	1.8
489.10617	0.6
533.29834	1.1
549.33405	0.7
575.13983	4.0
593.14990	59.7
593.31561	4.0
594.15234	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	593.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
71.24364	2.2
93.03485	2.0
93.67442	0.9
112.86559	1.0
117.03478	7.1
135.04541	2.9
149.02431	1.6
159.04533	1.3
161.02446	4.9
163.04109	1.3
175.04018	1.5
177.01912	2.8
177.05576	1.9
185.02382	1.2
189.01924	2.3
191.03600	2.1
197.06172	1.6
203.03413	2.5
205.01515	1.8
207.02940	2.4
219.02951	1.5
231.02785	1.8
233.04646	1.2
249.04056	1.3
251.07106	2.1
253.04875	1.4
266.05804	1.5
267.06543	2.4
269.04532	1.3
279.06781	1.4
281.04657	1.5
282.05307	2.9
283.06177	13.4
284.06741	1.0
290.46024	1.0
294.05270	1.3
295.06155	14.1
296.06747	3.8
297.07697	17.5
298.07944	2.1
307.06085	2.6
309.07574	2.3
311.05655	9.5
314.04242	1.4
322.04810	1.3
323.05606	9.4
324.06226	2.0
325.07275	5.6
328.06058	1.3
335.05621	1.9
337.07062	2.5
339.04910	1.6
341.06766	1.6
351.05170	4.7
353.02713	1.5
353.06735	19.9
363.05151	1.7
365.06665	1.9
369.06085	10.5
370.06522	1.2
381.05649	2.0
383.07681	6.1
399.07138	4.1
431.09915	1.4
455.09973	3.4
471.09216	2.9
473.11057	12.3
485.10602	1.4
487.08707	2.5
489.10403	22.3
490.10852	2.5
557.13214	3.0
575.14087	100.0
576.14508	11.9
593.14978	8.5
594.15472	1.2
596.79608	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11441	0.5
61.76329	0.4
76.91431	0.5
93.03494	0.7
117.03474	3.2
117.76025	0.6
119.05031	0.7
132.90030	0.7
135.04539	1.6
147.04547	0.8
153.27299	0.4
161.02458	1.4
163.04083	1.1
175.04050	0.9
177.05563	1.0
179.03687	0.6
185.45569	0.5
191.03511	0.8
203.03409	1.1
205.05190	0.5
221.04601	0.8
233.04610	0.9
252.19907	0.6
273.52774	0.5
282.05270	1.2
283.06192	1.7
295.06091	2.7
296.06885	2.4
297.07697	15.2
307.06055	2.1
309.07730	1.5
311.05676	2.8
323.05621	3.0
324.06363	1.2
325.07211	8.4
328.05936	1.4
335.05661	1.5
337.07263	1.7
341.06741	0.7
353.06680	47.5
354.06998	2.6
355.08331	1.7
356.05411	1.3
365.06674	4.7
383.07739	28.5
384.08047	1.7
395.07745	3.0
397.09393	0.9
413.08713	2.3
425.08759	1.5
455.10065	0.7
473.10956	15.2
474.11499	1.1
503.11807	4.2
575.14240	0.8
593.15161	100.0
594.15509	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	593.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74185	0.8
59.01386	7.9
60.41802	0.8
69.38228	3.3
69.38662	3.2
71.01397	5.4
72.51522	0.8
73.02946	1.1
83.01400	1.0
85.02953	3.8
89.02448	3.1
93.03499	1.2
98.83366	0.9
101.02455	2.6
109.02982	1.4
113.02462	1.8
117.03474	6.3
119.03512	1.5
119.05043	1.3
125.02398	1.0
133.02937	4.1
135.04547	3.3
145.02850	0.9
147.04498	0.8
149.02426	2.3
149.06088	1.1
151.04025	1.6
153.01807	0.9
161.02467	2.9
161.04546	1.2
163.04015	2.6
165.01878	1.1
167.03569	0.8
175.03996	3.3
177.01970	4.6
177.05580	2.7
179.03476	1.6
185.02435	1.1
188.60744	0.9
189.01924	1.6
191.01888	1.0
191.03488	3.0
201.01935	1.0
203.03551	1.7
205.01459	1.7
205.05194	1.1
207.02986	1.8
219.02979	1.9
233.04541	1.0
237.05498	1.0
265.05188	1.2
267.06677	2.5
269.04581	1.0
270.05048	1.0
282.05371	2.8
283.06094	8.7
293.04324	1.1
295.06168	7.5
296.06882	3.7
297.04135	2.7
297.07663	20.8
298.04755	3.1
298.07867	1.4
299.05457	1.2
307.06189	2.4
309.04211	1.5
309.07751	2.3
310.05048	1.0
311.05600	10.7
312.06308	3.8
313.07159	2.9
321.04160	1.3
322.05136	0.8
323.05667	6.1
324.06287	2.2
325.07132	10.7
327.05072	2.5
328.05927	2.8
335.05640	1.9
337.07233	2.7
339.05078	14.9
340.05530	2.0
341.06573	3.1
351.05182	3.9
353.06686	41.8
354.06949	2.3
356.05350	1.2
357.05893	1.0
365.06686	5.8
369.06140	19.8
370.06293	2.0
371.06976	1.7
381.06183	3.2
383.07700	21.8
383.11966	0.9
384.08047	1.4
395.07739	2.4
399.07260	10.6
413.08878	2.4
425.08899	1.2
429.08020	2.1
431.09888	3.1
437.08768	1.5
441.08273	1.1
455.09833	3.1
459.02921	1.4
459.09351	23.4
460.09805	2.3
470.51242	0.9
471.09509	1.1
473.10907	34.5
474.11191	3.7
485.11200	1.7
489.10495	9.5
490.11426	0.9
503.12186	7.9
504.12210	1.0
507.10654	1.6
519.11310	1.1
519.77722	0.9
533.25952	3.0
549.23376	0.8
551.27026	2.6
557.13135	1.4
575.13611	2.9
593.15125	100.0
594.15436	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	593.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55707	0.8
57.03451	12.2
61.69201	0.9
69.03432	1.0
71.45271	1.6
80.42544	0.9
81.03468	1.2
83.01392	2.9
93.03462	2.6
95.01411	1.2
95.05014	1.8
97.02962	2.0
107.05061	1.6
109.02966	11.6
111.04519	3.7
119.05038	1.2
121.02944	3.4
123.00864	3.0
123.04517	3.1
124.01649	1.6
125.02458	100.0
126.02793	2.1
133.02962	3.9
135.04526	1.8
137.02449	26.9
138.03229	1.7
139.04015	12.2
147.04466	0.9
149.02411	3.2
150.03036	0.9
151.03993	5.7
159.04501	2.1
161.02454	18.5
162.03104	1.8
163.00359	1.2
163.04062	2.0
164.01125	5.4
165.01945	14.0
167.03531	11.5
173.06046	1.0
175.03981	6.0
177.01942	12.7
177.05583	3.8
178.02725	1.5
179.03499	9.7
183.04503	1.1
187.03989	3.6
189.05487	1.4
191.03616	1.0
193.05087	1.0
199.03963	1.4
201.05559	2.3
203.03497	3.2
204.04227	1.8
205.01433	3.5
211.03963	1.7
213.05598	0.9
215.03474	2.8
217.05049	2.2
219.06636	7.7
221.04506	5.5
227.03502	2.3
228.04163	1.4
229.05003	3.5
231.06677	1.0
241.05045	1.1
243.02979	5.4
243.06648	1.5
245.04553	6.0
247.02437	1.1
255.03012	13.1
255.05661	1.4
256.03769	4.5
257.04483	2.3
261.07654	2.1
269.04672	4.2
273.03967	2.8
282.01721	1.3
283.02487	8.9
285.04062	2.7
287.05624	5.7
289.07242	5.5
297.03989	3.9
298.04633	0.9
299.05643	2.1
305.06680	57.9
306.07013	3.0
345.06143	1.0
355.08182	2.4
407.07767	2.1
423.07214	57.9
424.07571	5.6
425.08844	3.6
441.08334	6.3
449.07718	1.1
467.09790	11.0
468.10123	1.3
575.11774	1.8
593.12823	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	593.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05974	0.6
53.07467	0.5
57.03455	7.4
58.67585	0.5
58.96388	0.5
59.01387	3.6
64.81207	0.5
65.13146	0.5
65.60303	0.5
66.81675	0.5
69.44933	1.6
69.45355	2.3
71.01389	1.7
71.35519	0.5
72.99316	1.0
75.00875	1.1
79.01917	0.6
81.03438	1.3
83.01387	2.3
85.02948	1.4
87.00853	0.6
89.37981	0.5
91.05518	0.7
93.03474	3.6
95.01365	0.9
95.05037	1.6
97.02969	1.8
99.00899	2.1
105.02726	0.5
105.03457	1.4
107.05029	1.1
107.85500	0.5
108.44703	0.5
109.02958	9.7
109.06611	0.8
113.02455	0.9
116.86182	0.5
117.03490	4.8
119.05048	1.7
121.02962	5.7
123.04545	4.5
123.28259	0.5
124.01600	0.8
125.02460	53.6
126.02786	1.2
131.05040	1.1
133.02934	1.2
133.06560	1.0
135.04555	3.8
137.01476	0.8
137.02458	11.4
137.06097	3.6
139.04025	1.3
143.23708	0.6
145.02933	0.7
147.04509	0.9
149.02472	6.8
149.06013	0.9
151.04037	5.2
153.98859	0.7
158.03812	0.6
159.04507	2.1
160.05295	0.7
161.02437	3.8
161.06075	2.1
162.03166	0.7
163.00397	1.4
163.04042	3.7
164.01135	1.8
165.01959	3.5
167.03477	2.1
175.04015	5.4
177.01949	54.0
177.05341	2.7
178.02341	1.7
179.03537	3.1
181.05077	7.0
187.04015	3.7
188.04738	1.4
189.01950	1.1
189.05617	0.9
191.03554	2.7
197.06146	1.0
199.04007	0.5
202.06241	0.8
203.03491	2.3
203.07141	4.0
205.01459	0.8
205.05042	4.8
211.04108	0.7
215.03503	1.3
217.05019	1.2
219.06479	0.7
221.04556	1.2
221.08028	0.8
225.05486	0.7
225.09436	0.6
227.07137	1.0
229.04918	1.3
231.02997	1.0
231.06567	0.7
233.04544	1.0
239.05638	2.4
243.02972	1.2
245.04538	1.1
245.08157	5.9
247.05994	0.6
249.06143	1.1
251.07239	0.6
253.05151	0.7
255.03004	3.1
255.08488	0.7
256.03751	2.2
261.03976	1.2
267.06808	0.7
268.07126	0.7
268.62164	0.5
273.04099	3.3
281.04675	3.0
282.05368	2.3
283.02817	0.8
283.05963	2.8
285.04071	1.6
289.07208	32.2
290.07599	1.7
295.06168	4.2
296.06866	3.0
297.04443	0.8
297.07666	18.7
298.07990	1.0
303.05078	4.9
305.06784	1.8
307.06125	1.7
309.07697	2.0
311.05606	3.2
315.05099	2.3
315.38647	0.6
323.05618	3.5
324.06366	1.3
325.07193	9.6
328.05951	2.4
335.05609	1.3
337.07181	2.4
339.08731	1.7
353.06677	40.3
354.06949	2.4
355.08279	1.4
365.06735	4.1
381.09937	1.5
383.07776	23.3
384.07758	1.0
395.07806	3.1
407.07758	22.9
408.07983	1.2
413.08997	1.3
423.07382	0.8
425.08810	9.9
426.09180	0.7
431.11935	3.8
441.08359	0.9
455.09958	0.7
467.09827	4.7
473.10916	12.5
474.11136	1.5
503.11862	3.7
575.12994	0.8
593.15216	100.0
594.15521	9.3
607.14709	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	14.0
57.43834	1.4
71.20219	1.3
71.20560	1.8
77.21497	1.2
81.03487	3.5
83.01398	4.1
90.42158	1.4
93.03457	3.5
95.05055	1.7
97.02965	2.6
107.05032	3.8
108.02134	1.5
109.02957	15.3
111.04517	1.6
121.02970	6.6
123.00915	2.3
123.04526	11.3
125.02460	100.0
126.02821	2.4
131.05069	1.4
133.02953	3.3
135.04518	1.7
137.02463	22.2
139.04018	7.8
149.02496	7.6
151.04019	12.0
159.04556	2.4
161.02483	9.1
161.06050	3.3
163.04019	2.2
163.45822	1.4
164.01160	3.5
165.01970	8.4
167.03548	6.8
173.06075	1.4
175.04016	11.8
177.01950	61.8
178.02483	1.9
179.03523	6.8
187.03999	7.8
188.04744	1.9
199.03987	1.6
201.05540	2.1
203.07115	4.1
204.04298	2.3
205.05040	3.9
211.04037	2.3
215.03619	1.9
217.05031	2.6
219.06613	3.9
221.04651	1.9
221.08232	1.5
227.03525	1.5
228.04321	1.8
229.05017	5.2
243.03017	4.9
243.06526	1.8
245.04535	3.1
245.08243	6.2
255.02986	14.1
256.03766	6.4
257.04617	2.6
259.06091	1.4
269.04553	2.6
273.04047	4.8
281.04572	3.6
283.02533	4.5
285.04111	2.9
287.05673	2.6
289.07208	38.2
290.07370	2.7
297.04129	2.5
297.07620	1.5
303.05032	5.1
305.06671	33.0
315.05280	2.8
339.08682	3.7
399.13828	1.3
407.07776	45.5
408.08133	3.7
423.02582	1.3
423.07275	28.1
424.07672	1.9
425.08810	20.3
441.08350	5.0
467.09998	7.7
575.12268	2.3
593.13269	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	592.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.6
59.69798	0.5
61.98836	100.0
69.18761	5.3
83.52403	0.5
103.66061	0.5
138.55588	0.5
259.19141	1.1
287.22400	2.0
400.37659	0.6
444.23254	0.6
501.22443	1.6
515.24756	1.2
516.24799	11.3
516.31641	0.9
529.41296	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1305
Annotation	CHEBI:75667
Peak:m/z	Relative Intensity
57.03453	13.0
69.53167	3.4
69.53579	3.7
70.58479	1.1
73.39739	1.0
75.78628	1.0
81.03487	2.5
83.01411	5.0
93.03471	3.8
95.01410	1.1
95.05035	1.6
97.02974	3.5
98.20550	1.7
107.05056	1.9
108.02178	1.1
109.02969	16.3
121.02986	6.2
122.03779	1.2
123.00880	2.4
123.04535	10.7
124.01656	2.1
125.02465	100.0
126.02783	2.1
133.02948	3.7
135.04578	2.5
137.02470	21.4
139.04010	8.5
149.02484	8.6
151.04024	12.6
159.04521	2.5
160.05260	1.7
161.02478	11.8
161.06082	3.0
162.03238	2.1
163.00359	1.9
163.04059	2.2
164.01161	3.9
165.01965	10.5
167.03511	8.1
175.04053	10.1
175.07736	1.3
177.01950	63.6
177.05473	2.1
178.02388	2.6
179.00020	1.1
179.03531	7.7
181.05008	1.2
187.04015	5.9
188.04778	1.7
193.05029	1.8
193.59154	1.1
199.04037	1.1
201.05647	1.7
202.06320	1.4
203.03473	2.4
203.07137	4.8
205.01437	1.9
205.05099	5.3
211.04070	1.8
213.05464	1.6
215.03522	2.5
217.05142	3.2
219.06609	4.5
221.04507	2.3
225.05396	1.2
227.03651	2.1
228.04250	1.5
229.05023	3.9
230.05762	1.3
243.03065	3.1
245.04626	2.4
245.08189	6.5
255.02998	15.3
256.03769	8.2
257.04642	2.9
261.04056	1.3
269.04453	2.6
271.05856	1.3
273.04095	5.4
281.04449	3.4
282.01627	1.6
283.02402	5.3
285.04114	3.1
287.05634	4.3
289.07196	40.4
290.07703	1.4
297.04163	3.7
298.04752	1.3
303.05167	5.2
305.06668	31.0
306.07013	1.8
315.05206	2.5
339.08749	2.1
341.06662	1.2
347.07941	1.3
381.09711	2.8
407.07755	44.3
408.08072	4.2
423.07236	28.9
424.07477	1.9
425.08841	20.9
426.09027	2.1
441.08374	5.8
467.10022	10.5
468.10239	1.3
575.12372	2.3
593.12219	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	591.339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17809	5.6
54.51047	5.5
55.01915	6.3
59.01387	100.0
61.98842	19.1
66.56992	5.4
68.93004	5.7
71.01394	25.7
71.54491	6.6
71.54890	8.1
73.02924	8.5
78.95921	8.8
83.01412	10.9
85.02966	24.3
89.02460	6.0
96.96028	7.9
101.02460	14.7
113.02484	8.0
116.92854	10.6
119.61238	5.3
487.32755	58.9
488.33090	8.4
505.34076	24.6
598.78094	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	592.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07161	0.6
59.01381	1.8
61.98836	100.0
64.75163	0.5
66.63335	0.6
71.53648	0.7
86.32216	0.6
119.74026	0.6
127.36780	0.6
130.63219	0.5
138.38306	0.7
142.50351	0.6
250.12000	0.7
266.16296	0.5
380.78723	0.6
393.02411	0.6
511.39874	0.7
529.41272	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	591.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.8
58.00593	2.6
59.01387	67.8
61.94001	1.0
69.03460	1.2
69.58942	5.5
71.01389	36.1
72.99306	3.3
73.02943	1.4
79.75463	1.0
83.01407	1.0
85.02952	9.7
87.00896	2.3
89.02457	39.0
95.01381	3.8
99.04532	6.4
100.87270	1.0
101.02451	20.0
101.87846	1.0
104.43445	0.9
111.04502	2.2
113.02458	18.2
114.17805	1.3
119.03516	15.8
131.03496	2.1
143.03497	4.6
161.04602	5.5
161.13380	14.4
179.05620	13.8
187.11299	25.3
205.12352	37.8
206.12633	2.1
229.12320	7.9
231.10298	1.9
237.80746	1.1
247.13376	2.9
249.11334	64.3
250.11710	5.0
253.67786	1.1
291.12244	3.5
351.14313	1.8
385.18790	6.0
411.16693	14.5
429.17685	100.0
430.18045	9.6
430.46011	1.1
591.22717	9.0
592.23560	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36306	2.7
59.01390	100.0
61.98829	16.3
66.12101	2.4
69.26079	23.7
71.01386	17.1
72.92498	2.2
73.02930	4.6
73.47789	2.2
78.95896	8.7
83.01429	2.7
85.02975	11.9
89.02444	4.8
95.01406	2.9
96.96019	5.8
99.00855	3.7
101.02459	7.9
113.02470	19.3
124.66058	2.4
124.86977	3.2
125.02496	3.5
161.04546	3.0
209.12033	4.1
211.13423	2.9
343.28503	3.3
487.32791	53.0
488.33221	4.8
505.33707	10.0
536.98920	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	590.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95192	2.3
54.66351	2.6
58.00595	5.2
59.01387	100.0
61.98843	7.7
66.89040	2.9
71.01389	61.0
71.01780	4.4
72.99313	4.8
79.25908	2.4
83.05023	3.2
85.02939	9.6
86.92357	2.8
87.00867	3.4
89.01945	5.8
89.02457	78.8
95.01382	3.1
95.05029	2.9
101.02457	42.0
108.08260	3.5
113.02455	28.3
119.03512	45.1
119.04940	4.0
125.28179	2.6
126.09262	9.3
131.03516	3.3
143.03467	8.3
179.05647	18.5
218.28064	3.1
225.22223	13.5
271.22742	9.4
296.25919	3.3
392.31787	4.1
410.32773	48.5
411.33115	7.5
428.33765	18.3
586.87579	2.8
590.39063	74.2
591.39453	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	591.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	2.2
57.66660	1.3
69.84978	5.1
83.01477	1.3
88.84823	1.2
90.10992	1.2
108.02182	63.5
109.02998	12.7
125.02464	9.0
130.09880	1.2
133.02975	1.4
151.04086	2.7
152.01173	51.0
152.02422	2.9
153.01950	25.3
163.04117	1.4
166.22562	1.4
167.03506	2.3
177.01947	3.7
203.03531	1.4
243.02956	1.5
285.06189	100.0
286.06512	4.9
305.06882	2.9
423.07068	2.1
469.16699	1.8
561.11719	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26374	0.8
57.03454	1.9
57.37089	0.7
59.01387	100.0
60.01720	1.3
64.73247	0.7
69.03457	0.8
71.05023	4.0
81.03487	1.1
83.05035	2.3
85.02979	1.1
87.04566	0.8
99.04530	1.3
101.06095	19.9
101.35363	0.7
141.12883	3.4
155.14497	3.5
157.12384	1.7
167.14404	2.3
185.15526	1.8
195.17525	2.0
200.90292	0.7
207.17564	0.9
213.18562	1.4
215.27948	0.9
216.61534	0.7
225.18616	1.8
229.61707	0.8
243.19722	3.9
257.17517	1.7
267.19809	1.7
275.18661	4.2
285.20776	14.5
287.22266	1.3
301.19833	0.8
303.21793	23.2
304.21994	1.7
313.24011	1.0
317.19641	1.0
327.21841	1.1
331.25018	4.8
345.22821	17.6
346.23050	1.6
553.40259	1.0
571.33856	1.3
571.42206	17.9
572.42944	1.7
589.43225	39.0
590.43500	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.2
58.00595	1.5
59.01386	100.0
59.41825	1.1
69.03470	1.7
71.05025	5.7
81.88035	1.0
83.05014	3.8
85.02976	1.5
87.04509	1.2
101.05463	2.1
101.06092	29.0
134.40935	1.1
141.12886	3.4
143.87022	1.2
155.14447	15.9
157.12271	1.3
169.16011	2.5
176.46159	1.2
183.13904	2.6
185.15486	25.2
205.19600	5.1
207.17569	1.4
223.20680	5.8
243.19646	8.0
255.70135	1.2
275.18713	1.4
285.20737	36.5
287.22409	1.6
293.24658	1.3
303.21796	93.1
304.22141	5.6
331.24829	1.5
345.22873	12.3
571.42200	8.1
589.33008	1.8
589.43219	26.3
590.43494	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	589.323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	29.3
61.98825	5.7
62.00259	5.3
62.58773	4.6
71.33324	4.8
78.95885	4.5
91.30544	5.4
96.96067	6.1
108.36432	5.3
171.10240	14.3
180.77534	4.8
253.09227	19.6
275.20166	12.5
293.21249	100.0
294.21597	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	589.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48960	1.7
59.01382	30.2
61.98839	9.2
68.09064	1.8
71.01392	5.0
71.05011	2.5
71.53846	1.9
78.95920	2.1
83.05039	2.2
89.02466	3.6
96.96014	1.9
101.02426	4.3
113.02471	3.0
143.10811	8.7
158.04733	1.9
161.04565	3.4
171.10252	2.0
209.11778	9.2
227.12944	2.4
235.17050	21.1
239.26443	2.1
253.09341	28.4
275.20197	23.4
276.20407	3.1
293.21274	100.0
294.21597	9.3
531.99274	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	589.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97722	1.7
58.98748	2.0
59.01374	2.3
60.77916	1.8
61.98824	2.1
62.58654	1.7
68.99815	3.9
69.19224	15.2
69.19628	4.1
69.70348	1.7
83.01398	2.8
98.19888	3.9
110.00131	2.7
119.05019	16.4
137.99608	6.2
157.02895	2.0
157.06691	1.9
163.03954	2.2
165.05501	2.0
186.03270	3.3
188.04898	4.6
191.07164	3.7
201.05586	3.0
203.07166	5.3
205.05078	2.8
217.12273	4.5
219.06659	9.6
222.21182	1.9
245.11885	4.7
258.19730	1.8
259.06067	3.3
262.12119	5.8
267.59180	2.4
273.11310	4.7
289.10944	4.9
290.11426	3.8
303.12418	6.1
327.12408	7.3
335.12781	2.9
339.12317	12.2
340.13123	5.9
367.11646	10.1
379.19159	6.1
387.25589	11.0
407.18747	4.2
421.20517	3.2
423.18088	7.7
424.18915	12.0
451.17868	10.4
475.24902	8.6
493.26038	100.0
494.26273	10.8
501.05829	2.0
520.24695	6.8
528.21222	2.0
571.30518	5.1
589.31769	50.8
590.32104	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	589.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54169	0.3
58.00116	0.2
59.01394	1.5
61.98824	0.7
65.47210	0.2
72.99322	2.3
75.00880	100.0
76.01208	0.8
85.02995	0.4
123.71768	0.3
204.29138	0.3
277.21744	0.5
287.22418	0.5
408.41577	0.3
527.28833	0.9
589.42108	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.4
59.01386	100.0
69.03474	1.1
71.05022	4.5
71.53991	1.8
73.32822	1.0
83.05041	2.3
99.04553	1.2
101.06088	20.4
141.12859	2.1
169.15955	1.8
176.33478	1.0
183.17439	1.3
207.48441	1.1
213.18579	2.9
226.97836	1.0
229.18141	1.3
245.33441	1.1
253.17685	1.2
255.19708	7.3
269.21246	2.2
271.19339	1.4
271.22745	1.9
273.20682	6.6
287.22293	1.9
289.20303	4.5
301.23776	1.9
303.21713	1.9
313.23792	1.2
315.21841	19.5
315.25394	2.5
317.23401	2.6
329.23291	4.3
331.24860	11.1
339.12347	2.0
343.24835	2.5
509.41318	1.2
551.41650	1.3
569.44269	23.8
570.44702	3.2
587.45313	73.2
588.45734	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	589.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75658	4.7
59.01401	7.8
61.98061	3.9
69.16091	47.0
75.73752	4.2
78.60794	4.6
81.59119	4.6
113.06075	5.7
119.05039	16.9
137.57121	4.9
137.99652	6.0
148.44716	5.3
152.99565	8.3
173.11980	5.8
205.05034	6.1
217.12448	9.3
219.06624	8.7
245.11812	6.2
258.27295	6.0
289.10873	7.6
290.11533	6.4
303.12476	7.9
327.12268	7.3
339.12314	9.4
340.13220	6.2
367.11627	5.9
379.19223	7.8
387.25314	17.9
423.18011	10.4
424.19150	9.3
451.17563	8.9
475.24893	9.1
493.26010	100.0
494.26517	12.7
589.31586	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	587.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09919	2.3
52.41495	2.5
59.01378	6.3
61.98832	5.4
71.01395	8.7
72.01198	2.5
73.02944	2.7
78.08978	2.4
78.95922	4.7
85.02945	7.5
88.98814	3.4
96.96015	44.2
96.96977	5.0
109.03017	3.0
113.02466	6.5
117.34685	2.9
121.02962	9.2
122.03756	3.0
127.04059	2.8
128.10136	2.3
133.02927	6.4
134.03746	23.1
137.02419	6.5
149.02444	10.2
149.06087	9.4
150.03271	32.1
160.01627	5.8
161.02481	5.3
164.04822	4.2
165.05577	47.2
175.04044	9.6
178.02734	20.3
191.01953	3.9
191.07184	2.7
193.05061	100.0
194.05394	5.5
195.06639	41.8
235.06126	3.9
256.23483	2.7
282.08975	7.4
282.28000	2.6
341.10382	30.4
342.10443	3.8
349.07648	2.7
355.10263	3.1
360.03339	2.6
389.12482	79.1
389.17511	3.7
390.12442	5.4
426.63153	2.5
468.29514	2.6
551.27899	2.9
569.10626	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	587.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20673	2.6
59.01377	8.9
59.65644	2.7
71.01373	4.8
71.54928	4.1
76.67944	2.9
78.20321	2.9
81.27460	2.6
85.02953	9.8
89.02448	3.8
96.96030	33.2
101.02486	3.3
110.06848	3.1
110.09685	2.9
113.02448	7.0
121.02964	11.2
133.02939	6.3
134.03777	35.2
149.02425	13.5
149.06065	12.7
150.03247	42.5
160.01617	5.9
161.02472	5.3
165.05606	56.3
169.84119	3.3
175.04039	11.0
178.02798	15.8
191.07005	3.1
193.05081	100.0
194.05376	5.8
195.06635	52.5
213.62973	3.5
282.08905	11.3
295.16330	3.3
295.40543	3.3
341.06638	5.5
341.10303	50.5
355.11066	4.1
389.12500	84.7
389.17465	3.3
390.12973	5.1
520.13531	3.5
569.08923	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	587.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91320	1.1
59.01382	17.6
59.08031	1.2
61.06948	1.1
61.85516	1.3
61.98822	2.0
67.82207	1.1
70.72064	3.8
71.01384	6.9
71.45925	1.0
78.95901	1.3
85.02969	3.2
89.02443	4.2
96.96026	1.9
98.19966	1.3
99.61092	1.5
101.02444	4.2
113.02446	2.7
117.13463	1.1
117.98199	1.2
120.20113	1.3
157.08684	1.2
159.35941	1.2
161.04568	1.6
165.12869	11.0
165.76218	1.3
171.10289	10.0
197.11839	9.6
213.74207	1.1
213.81331	1.1
234.31404	1.1
246.47754	1.2
247.20721	5.7
253.09314	16.0
273.18530	3.8
291.19693	100.0
292.19934	6.0
428.05038	1.5
521.47589	1.4
587.30817	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	587.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87661	2.1
58.00581	2.5
64.00819	2.1
70.81425	4.5
72.99320	20.8
75.00828	2.0
77.63625	2.3
90.43626	2.0
93.03474	6.5
96.96010	3.7
101.45766	2.2
107.05035	4.7
119.05095	2.9
131.05075	2.5
133.02936	3.2
140.67244	2.0
145.82397	2.1
147.04582	2.6
149.06073	7.6
150.06500	2.1
165.05603	47.9
179.03555	16.5
193.05040	9.9
227.97923	2.2
228.08005	2.4
255.05133	100.0
256.05386	4.3
327.19183	2.5
479.66638	2.4
518.45367	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	587.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20673	2.6
59.01377	8.9
59.65644	2.7
71.01373	4.8
71.54928	4.1
76.67944	2.9
78.20321	2.9
81.27460	2.6
85.02953	9.8
89.02448	3.8
96.96030	33.2
101.02486	3.3
110.06848	3.1
110.09685	2.9
113.02448	7.0
121.02964	11.2
133.02939	6.3
134.03777	35.2
149.02425	13.5
149.06065	12.7
150.03247	42.5
160.01617	5.9
161.02472	5.3
165.05606	56.3
169.84119	3.3
175.04039	11.0
178.02798	15.8
191.07005	3.1
193.05081	100.0
194.05376	5.8
195.06635	52.5
213.62973	3.5
282.08905	11.3
295.16330	3.3
295.40543	3.3
341.06638	5.5
341.10303	50.5
355.11066	4.1
389.12500	84.7
389.17465	3.3
390.12973	5.1
520.13531	3.5
569.08923	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	586.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58247	0.2
59.01388	0.9
61.98839	100.0
63.99277	0.6
70.19760	0.4
70.20148	0.4
71.01411	0.7
73.02966	0.2
79.09345	0.2
84.49024	0.2
85.02982	0.5
85.04094	0.2
87.00922	0.2
96.96033	0.4
109.57930	0.2
113.02460	0.3
115.00435	0.3
121.02953	0.3
128.03601	0.4
157.01479	0.2
165.02007	0.3
175.02492	0.4
209.11966	0.3
241.67380	0.2
304.39236	0.2
320.09329	0.4
366.61960	0.2
375.62302	0.2
391.33667	0.2
430.55823	0.2
447.27487	0.2
568.08960	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35047	0.4
57.03455	1.0
58.67273	0.6
59.01385	100.0
59.86021	0.4
60.01723	1.0
61.20165	0.5
71.05042	0.5
71.34763	0.8
77.42541	0.5
81.03472	1.2
106.01466	0.5
155.14421	1.3
162.62704	0.4
169.16000	2.9
195.39371	0.6
197.19115	8.4
198.19455	0.7
202.10014	0.4
209.19131	0.5
225.22273	1.5
227.20212	4.6
235.20482	0.5
237.22327	1.1
251.20169	0.6
253.21689	0.6
255.23302	7.2
269.21219	15.1
270.21600	1.1
279.23373	0.7
285.20587	0.6
287.22305	14.6
288.22687	0.7
297.24390	5.9
299.25861	0.6
311.22235	1.1
315.25424	24.5
316.25708	1.7
329.23355	19.6
330.23669	2.0
357.26501	3.9
549.45599	0.7
567.37231	0.6
567.46295	21.2
568.46735	2.7
585.47394	37.6
586.47919	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	585.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50839	0.3
57.03456	0.7
59.01386	100.0
59.95201	0.3
60.01719	0.5
64.20924	0.3
65.70089	0.2
70.26937	1.0
71.05049	0.3
73.38468	0.3
79.73161	0.3
82.46181	0.3
104.41016	0.3
105.19154	0.3
169.16003	5.9
197.19122	7.8
198.19498	0.5
209.19107	1.2
223.84801	0.3
224.66287	0.3
225.18602	0.4
225.22278	1.6
227.20204	7.1
235.20705	0.4
237.22264	1.2
253.21710	0.5
255.23312	7.3
256.23694	0.6
269.18332	0.7
269.21249	12.2
270.21646	1.0
287.22311	48.1
288.22598	3.0
296.99612	0.3
297.24393	10.6
298.24634	0.5
315.25418	56.4
316.25726	3.5
329.23349	4.6
357.26529	3.4
550.20636	0.3
567.37378	0.4
567.46259	4.7
568.46704	0.7
585.47406	15.0
586.47925	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	585.4742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87065	0.7
53.24196	0.7
59.01387	100.0
65.67025	0.7
68.90308	0.8
81.17532	0.7
84.56384	0.7
88.25748	0.8
98.19859	1.4
141.12936	1.2
155.14389	1.0
169.15982	1.2
183.17484	1.3
197.19167	1.1
225.22346	0.9
227.20082	4.6
230.81381	0.8
255.23233	5.5
269.21207	6.3
287.22299	18.8
288.22467	1.2
297.24417	5.9
315.25391	18.3
329.23404	6.4
349.95618	0.8
357.26456	6.4
425.19254	0.9
567.46344	20.0
568.46747	3.4
585.47363	56.6
586.47876	6.5
588.02545	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29016	0.3
57.03450	0.7
59.01386	100.0
60.01715	0.5
60.99324	0.4
67.00034	0.3
68.05510	0.4
68.94813	0.3
77.22868	0.3
81.03480	1.9
81.03940	0.3
83.05044	0.7
99.04521	0.4
116.72063	0.3
141.12872	0.8
155.14436	1.3
169.16020	0.9
180.41263	0.4
197.19131	5.6
214.49040	0.3
225.22272	1.3
227.20209	3.8
237.22304	0.7
251.20187	0.5
255.23332	5.9
269.21240	9.7
270.21634	0.6
279.23270	1.7
285.20651	0.5
287.22296	11.4
288.22754	0.8
297.24405	2.9
299.25842	0.8
311.22403	1.0
315.25424	11.9
316.25757	0.9
329.23346	28.3
330.23672	2.1
357.26520	2.5
383.57709	0.4
549.45367	0.8
567.46338	35.3
568.46521	3.9
585.47375	44.8
586.47717	6.2
587.64465	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	585.2328
Annotation	Lancifodilactone J
Peak:m/z	Relative Intensity
54.06599	2.5
59.01366	7.8
67.12611	2.2
69.59805	2.5
69.86512	7.7
69.86922	5.4
70.55532	2.6
71.01392	8.8
78.95906	4.2
83.01389	3.0
85.02956	9.3
89.02456	3.9
93.67353	2.5
96.96038	6.9
101.02447	3.4
108.13803	2.5
113.02440	5.0
125.02428	11.1
151.03905	3.3
171.00764	3.2
191.01988	3.4
193.05064	3.1
209.02948	3.6
227.42189	2.5
354.67865	2.6
387.16235	3.7
549.25360	36.2
585.23212	100.0
586.23438	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	585.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.4
59.01389	100.0
60.01723	0.8
60.99328	0.4
64.24974	0.3
68.36279	0.3
70.03497	1.7
81.03464	2.0
83.05043	0.9
134.07091	0.4
141.12938	0.8
155.14415	0.6
169.15907	0.7
197.19130	5.5
197.61772	0.4
198.19571	0.5
208.23735	0.4
225.22290	1.4
227.20209	3.4
237.22272	1.1
251.20137	0.7
255.23332	5.5
269.21259	8.4
270.21652	0.6
279.23358	1.3
287.22311	9.9
288.22720	0.5
297.24472	2.3
315.25421	11.5
316.25635	0.5
329.23361	22.4
330.23700	1.3
357.26419	1.6
549.45502	0.8
567.46362	38.7
568.46747	5.4
585.47412	37.1
586.47711	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	585.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60198	1.2
53.84419	1.0
56.07893	1.1
57.03455	24.6
59.01386	35.3
69.03476	2.0
69.70222	4.0
69.70633	1.9
70.31892	1.2
71.01392	7.2
73.02990	1.4
81.03454	1.9
83.05022	1.7
85.02956	5.8
89.02465	4.1
93.03457	1.8
95.01426	2.6
95.05069	2.3
95.71003	1.1
96.39306	1.0
97.02982	8.8
99.04534	25.3
101.02476	8.1
107.05011	2.9
109.02976	6.2
109.06578	5.5
111.04536	5.2
113.02479	7.9
119.03485	2.1
119.08713	2.8
121.06601	4.8
122.03757	10.0
123.04542	2.4
124.05294	5.7
125.02468	33.1
125.06078	3.7
133.06592	2.0
135.04550	1.8
135.08148	1.3
136.05316	2.0
137.06102	11.8
137.09700	1.4
139.07671	43.4
140.08002	1.5
143.03519	2.6
147.08173	2.6
149.06076	3.6
151.04053	3.7
151.07664	2.1
161.04614	6.8
161.09712	1.8
163.07672	3.3
163.11243	1.6
165.05194	1.2
168.07932	8.6
169.08722	3.6
171.08122	1.6
177.12834	3.6
179.05608	1.3
181.08636	1.3
187.11307	23.8
189.05623	3.1
189.09242	2.0
190.09964	4.2
205.12350	53.8
206.12761	2.2
217.12335	5.4
229.12428	2.0
231.10271	4.8
235.13416	12.1
243.10210	1.4
249.11333	4.8
259.13324	1.2
261.11404	7.7
273.11411	4.4
279.12405	100.0
280.12741	8.2
285.11258	1.4
291.12500	1.4
303.12482	12.1
321.13474	20.5
327.05350	2.3
361.16412	5.5
363.14676	2.7
423.16614	14.5
428.74493	1.2
441.17615	2.1
447.09207	1.3
571.81372	1.7
585.21753	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	585.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	25.5
59.01387	47.3
61.98838	20.9
69.03447	0.8
69.37535	6.7
71.01393	6.2
73.02961	1.5
75.16183	0.8
81.03461	1.1
83.01417	2.1
83.05042	1.9
83.53425	0.9
85.02966	6.0
87.89053	0.9
88.98785	1.1
89.02446	4.4
93.03542	0.8
95.05031	1.7
97.02964	4.4
99.04526	17.9
101.02459	8.0
106.13828	0.9
107.05061	1.8
108.82393	0.9
109.02961	2.2
109.06588	4.2
111.04533	4.1
113.02470	3.7
119.03519	1.3
119.08658	1.1
121.06612	3.4
122.03738	6.7
123.04501	2.7
124.05317	11.1
125.02456	6.6
125.06137	4.6
133.06622	4.6
134.03775	5.1
135.04485	1.1
137.06116	7.9
139.07664	89.8
140.08060	3.0
146.33418	0.8
147.08173	1.9
149.05003	0.8
149.06065	4.7
150.03194	1.1
151.04054	4.4
153.05589	1.2
161.04565	10.8
162.07027	1.0
163.07587	1.7
163.11099	0.9
165.05566	1.6
168.07948	18.3
169.08722	8.3
171.08261	2.1
175.11324	0.9
177.12920	1.3
178.02724	3.0
179.05624	0.9
181.08727	4.4
185.09782	1.0
187.11284	10.6
189.05591	1.6
190.09999	1.3
191.02025	1.7
193.05070	6.7
195.06712	1.0
205.12343	22.2
210.08926	2.1
211.09749	3.4
217.12323	2.0
223.98241	0.9
229.12311	2.1
231.10300	2.7
235.13512	4.1
243.10181	1.0
249.11256	4.8
261.11328	2.4
273.11377	3.6
279.12396	100.0
280.12744	7.3
285.11523	1.0
291.12369	0.9
303.12347	10.3
321.13467	9.9
322.13654	1.2
361.16418	0.9
363.14417	1.4
387.23920	1.6
423.16629	36.8
424.16843	3.0
441.17670	2.9
473.83817	1.0
522.16901	1.2
585.21539	4.5
590.84900	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.3
59.01393	2.7
61.98837	100.0
71.01396	1.5
71.55105	0.5
72.62817	0.4
82.08588	0.4
85.02975	1.5
89.02440	0.7
96.96011	0.3
97.10236	0.3
99.04522	0.4
101.02457	0.5
113.02451	0.8
125.02471	0.8
135.11804	0.4
139.07698	1.5
152.19557	0.4
161.04616	0.4
161.09775	0.5
179.10782	4.2
180.11176	1.5
187.11336	0.7
193.05136	0.5
199.49852	0.3
205.12331	0.9
208.15207	0.4
223.09799	4.7
224.10098	2.0
229.43936	0.4
251.11780	0.7
264.09021	1.1
279.11655	4.7
376.89798	0.4
385.15143	2.7
386.15463	3.0
387.15668	0.4
423.16696	1.0
446.17252	0.9
472.15616	0.5
490.16541	0.9
534.15167	0.7
566.18372	0.4
585.21594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57577	0.2
57.00809	0.2
57.03431	0.3
59.01378	0.9
61.98838	100.0
69.41553	1.3
69.41961	0.4
71.01386	0.6
73.02979	0.3
75.00883	0.2
76.75624	0.3
83.11255	0.2
85.02958	1.1
89.02471	0.4
93.03488	0.3
96.96033	1.0
101.02498	0.3
115.38703	0.2
119.05061	0.4
122.03764	0.9
125.02432	0.3
129.01968	0.3
135.04512	0.2
149.02469	1.3
150.03250	4.7
151.03537	1.4
163.04170	0.4
165.05602	5.6
166.05923	2.2
167.03551	0.3
181.04654	0.3
188.74507	0.2
191.02065	0.3
195.06653	3.6
196.07027	1.5
263.81140	0.2
299.05487	0.2
320.09424	0.3
340.09409	0.4
357.13550	0.6
358.13864	1.1
359.14951	0.3
369.13501	0.6
370.13965	0.8
371.14920	0.3
584.76532	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
61.98838	100.0
69.24599	0.6
69.25027	0.9
71.01393	0.2
74.26589	0.2
85.02975	0.4
96.96018	0.4
167.32097	0.2
170.54210	0.2
196.61217	0.2
394.93622	0.2
524.35144	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17894	0.4
53.60973	0.4
55.38500	0.4
57.95846	0.4
59.01377	1.7
61.98837	1.0
63.02406	1.1
65.00334	1.3
83.01390	0.5
83.70768	0.4
83.71349	0.4
85.02915	0.5
85.21831	0.4
91.66931	0.4
96.96043	0.6
98.20728	0.7
101.02438	0.6
107.01385	1.8
109.02947	1.6
131.05087	0.6
133.02960	5.3
135.00871	0.6
143.04993	1.4
145.02980	0.8
149.02380	0.6
150.99371	0.4
151.00365	2.6
155.05106	0.9
157.02913	1.1
159.04503	0.5
171.04526	3.9
173.02463	0.9
175.03981	2.1
183.04510	0.6
187.04045	1.7
197.02449	1.0
198.03224	0.8
199.04028	8.4
201.01964	2.6
203.03505	0.5
210.95459	0.4
215.03487	2.4
226.02704	1.6
227.03535	4.5
229.50444	0.5
242.02234	1.3
243.02992	6.1
255.03035	4.2
271.02499	51.9
272.02823	2.4
282.01715	0.7
283.02463	0.9
285.04074	11.8
297.04691	0.5
299.01990	100.0
300.02374	4.3
301.03592	0.9
332.50458	0.4
353.77707	0.4
446.09921	0.5
503.88644	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28576	0.9
57.03455	21.1
59.01385	28.8
60.93187	1.0
61.83065	0.9
68.97463	1.0
71.01404	1.7
85.02959	1.1
89.02460	1.8
95.05038	2.0
97.02961	3.6
97.06571	1.2
98.14044	0.9
98.19762	1.8
99.04538	12.0
101.02435	3.7
105.44758	1.0
107.05017	2.3
109.02964	3.9
109.06609	2.7
111.04529	2.7
113.02505	2.4
114.02504	1.2
121.06589	2.9
122.03701	5.0
122.54013	1.1
123.04525	2.7
124.05339	7.9
125.02473	2.7
125.06094	2.5
133.06599	3.2
135.04485	1.2
137.06105	7.6
139.07668	73.9
140.07977	1.3
145.06598	1.8
147.08182	1.7
149.06104	1.7
151.03973	2.2
161.04597	9.4
168.07950	12.4
169.08716	6.3
171.82040	0.9
177.12769	1.2
181.08641	2.1
185.09758	1.2
187.11337	9.9
189.05591	1.6
189.09140	1.2
190.10043	1.5
205.12355	20.3
211.09793	2.3
217.12288	2.3
231.10287	3.2
235.13516	2.3
249.11275	3.4
261.11285	3.2
273.11395	2.1
279.12411	100.0
280.12750	6.7
303.12436	4.4
321.13477	10.2
361.16571	2.2
393.56305	1.1
423.11206	1.6
423.16669	21.9
424.16678	2.5
441.17865	6.3
585.21783	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	583.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03703	3.7
59.01387	9.5
65.00333	8.7
69.75303	24.0
83.01395	4.8
87.15210	4.8
91.01912	34.7
96.96015	8.2
98.00047	3.7
98.19809	5.5
101.23392	3.6
111.73739	3.9
119.05087	7.3
121.93207	3.9
128.11012	6.0
132.05841	29.7
134.03760	23.5
135.00885	42.3
149.06129	10.7
153.01955	25.7
156.05823	9.0
156.23918	4.0
158.03763	29.9
164.04771	19.8
172.05269	4.9
173.06100	31.5
175.04028	3.9
187.11305	77.9
198.06842	6.4
199.03973	14.0
200.04788	24.3
211.11298	62.4
215.07144	43.9
235.11304	6.6
235.32449	4.0
253.12393	29.7
259.06122	100.0
285.07700	30.1
297.11334	65.9
298.11505	6.9
323.12900	98.8
324.13419	7.4
329.58850	5.1
365.23572	5.8
593.70374	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	583.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00645	0.3
54.02141	0.3
57.03445	0.4
57.14289	0.3
57.34324	0.3
59.01385	6.2
61.98839	13.4
71.01392	1.8
72.99310	0.4
73.02953	0.5
75.00887	1.9
78.95904	2.5
79.95750	2.7
83.01408	0.4
85.02967	2.0
87.04507	0.8
89.02462	0.5
91.14642	0.3
94.90776	0.3
95.01400	0.3
96.83453	0.3
96.96024	100.0
96.97015	2.5
97.95966	0.3
99.00899	0.3
99.92545	0.3
101.02465	1.2
106.87727	0.2
109.02941	0.3
109.70341	0.3
109.77330	0.3
113.02464	0.9
114.93440	0.4
115.92112	0.4
116.87519	0.3
116.92937	0.6
137.02376	0.3
149.02432	0.4
150.03246	1.8
151.00386	0.3
161.04634	0.3
163.03938	0.3
165.05568	2.4
175.28943	0.3
175.62410	0.3
179.03819	0.3
190.79874	0.3
191.02058	0.5
195.06619	1.8
198.99257	0.3
259.01318	0.3
283.02023	0.3
385.25961	0.4
391.04727	0.5
399.23642	0.3
421.08243	0.6
441.24966	0.7
451.66342	0.3
495.81781	0.3
497.20770	1.0
505.44897	0.3
523.34888	0.4
583.08881	2.6
583.22247	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.24
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86247	0.7
59.01383	8.5
61.98834	3.8
62.06677	0.6
67.02790	0.7
71.01392	4.8
71.54588	0.6
73.02927	1.1
75.00910	0.6
75.59352	0.8
85.02948	2.8
89.02440	2.0
93.03461	0.7
96.96024	14.3
99.00879	2.8
101.02433	2.5
107.05043	1.7
108.02179	1.7
109.02980	1.5
113.02434	1.7
117.64603	0.6
121.02960	6.5
122.03079	0.6
122.03775	8.2
123.04518	1.7
130.04231	1.5
135.04515	1.7
143.05063	1.2
145.06578	2.2
152.01158	2.1
157.06586	2.9
159.08163	2.0
161.02425	1.1
165.01932	3.5
175.07623	3.0
177.01959	2.9
177.12866	1.9
201.05591	6.2
219.06664	12.5
221.08276	1.9
227.14401	2.4
245.15482	37.2
246.15781	2.4
271.13434	20.1
272.13663	1.1
289.11432	1.3
289.14514	22.5
290.14920	1.1
307.98495	0.8
308.37982	0.7
329.29501	0.7
377.02502	0.8
392.54343	0.7
455.46576	0.7
568.10046	1.7
583.13135	3.8
583.23981	100.0
584.14319	0.8
584.24286	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	582.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	18.7
66.05125	0.6
69.65663	3.7
78.95915	18.6
96.96030	0.9
98.20001	1.2
106.32723	0.6
122.98526	0.7
147.33160	0.6
152.99593	2.7
168.04355	3.1
224.06906	7.8
242.07994	2.2
265.12427	0.6
283.26453	100.0
284.26797	6.0
375.96216	0.7
421.16010	0.7
508.34097	68.4
509.34357	6.4
582.30530	0.7
598.32849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.0888
Annotation	Philonotisflavone-4'''-methyl ether
Peak:m/z	Relative Intensity
57.03449	0.7
59.01392	6.9
61.98838	19.0
63.02386	0.6
65.00327	6.2
68.99564	2.1
69.63386	4.0
71.01386	3.0
75.00875	1.2
83.01380	2.6
84.72925	0.5
85.02969	5.7
88.00607	0.5
88.98811	0.9
89.02449	1.8
93.03484	1.0
95.01433	0.7
96.96017	9.3
98.19978	0.7
99.00892	1.0
101.02438	1.6
107.01403	9.1
108.02171	1.8
109.02963	1.4
112.98572	1.2
113.02446	1.6
113.58910	0.6
116.92879	0.7
120.59454	0.6
121.02970	2.2
122.03743	1.7
123.04557	1.6
125.02470	1.7
129.01952	0.7
132.02182	0.6
133.02972	2.7
135.04539	1.7
136.01654	1.6
147.04506	0.6
149.02448	4.1
150.03246	10.4
151.00383	16.7
151.04045	1.7
165.05589	10.2
166.02756	1.2
175.04100	0.6
180.04196	1.1
181.05168	1.0
189.05573	1.8
189.07159	0.6
190.06293	0.9
191.01952	1.8
193.01454	3.1
195.04768	1.2
195.06631	4.8
199.01297	0.7
211.03990	2.8
215.03458	0.9
217.67796	0.6
235.03984	0.7
237.05470	0.9
239.03535	8.4
241.30530	0.6
245.15382	0.7
249.05797	0.7
251.03635	0.8
253.05054	1.1
255.03053	1.3
255.06757	0.8
257.04596	1.4
261.05551	0.9
263.03494	1.4
265.01535	1.1
277.05011	1.4
279.06668	1.4
281.04678	2.9
283.02484	1.3
284.03110	0.7
291.59930	0.7
293.04800	0.8
303.06461	0.7
305.04623	3.0
307.02429	2.8
317.04489	1.0
319.06293	1.5
319.10181	0.6
321.03879	1.0
323.05655	6.1
346.04718	1.5
347.05566	6.9
349.03430	3.3
357.13562	1.1
359.05582	1.4
361.03397	2.2
373.03531	1.3
385.25861	3.0
387.14603	2.8
388.05905	1.4
389.02939	1.2
390.03903	3.7
391.04630	40.4
392.05051	3.6
405.06265	3.2
415.04550	3.1
416.05527	3.2
417.02377	4.6
421.17133	1.2
431.07819	2.4
432.04788	0.8
433.05722	6.9
447.07178	1.4
447.15936	0.8
459.03687	2.7
498.45166	0.6
535.19781	6.0
536.20300	0.7
583.08862	100.0
584.09265	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	581.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42445	14.4
60.90489	16.1
62.36645	15.5
69.58881	13.1
71.01389	15.5
74.21211	14.1
80.96521	81.1
85.57186	14.9
94.98090	19.1
95.07774	17.8
229.63054	19.3
253.31027	15.1
388.64874	13.9
581.30042	100.0
582.81152	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	581.383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13496	79.7
50.92207	100.0
54.08207	71.0
84.02021	66.9
103.76802	78.8
110.05256	70.5
110.23061	72.9
136.21317	79.2
459.23026	87.2
573.06445	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	0.8
59.01386	6.0
59.47760	0.4
61.09771	0.4
61.98837	100.0
62.09652	0.5
71.01385	2.6
71.55576	0.6
73.02962	1.1
75.00868	0.5
78.45234	0.4
83.01397	0.7
84.28735	0.4
85.02959	4.6
85.64122	0.4
86.03308	0.7
87.00911	0.5
89.02471	1.5
96.96037	1.3
101.02465	1.5
113.02485	1.6
116.92897	0.7
125.02454	0.5
148.04085	1.1
169.52245	0.5
177.09248	0.5
190.05165	0.6
191.02014	1.1
204.67433	0.4
211.08812	0.5
225.10458	1.0
237.77744	0.4
299.19174	0.5
375.23810	0.7
384.13904	0.9
444.15964	1.8
488.15271	0.7
521.33051	1.0
522.33447	1.9
539.34515	0.6
564.17004	0.8
583.20599	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
55.38398	0.7
57.03458	1.1
59.01386	5.7
61.36489	0.9
69.28663	6.9
70.66570	0.6
71.01394	5.7
73.02942	2.8
75.00885	0.8
77.93558	0.7
83.01385	1.3
85.02959	8.1
89.02454	2.0
90.38076	0.7
98.20650	1.5
99.00857	1.0
101.02444	3.7
113.02440	2.0
115.00389	0.8
119.46614	0.7
125.02457	1.2
125.07727	0.8
131.13905	0.7
133.01454	1.1
137.02478	3.9
145.02928	2.1
147.04538	1.5
149.02493	2.0
150.03226	3.8
151.04030	3.2
152.04811	1.1
153.01981	1.1
155.10844	0.8
161.04636	1.6
163.04022	4.0
164.04826	1.4
165.05550	3.5
167.03499	0.9
174.03291	3.8
175.04028	16.3
176.04832	3.5
177.05611	1.9
179.03455	0.8
180.04300	6.2
188.04765	3.4
189.05594	4.2
190.02812	1.6
190.06371	19.5
191.01935	1.4
191.07144	11.7
192.04222	1.1
193.01410	1.1
193.05043	5.4
194.05901	5.6
195.06673	3.9
203.07210	2.2
205.05128	0.9
205.08696	15.0
206.09158	0.8
207.06627	5.2
208.03822	1.6
208.07422	12.5
210.02473	0.7
221.08344	0.9
222.08931	2.9
223.06093	7.5
223.09656	1.1
227.16653	1.0
265.07193	0.8
285.04007	0.9
327.05338	1.4
335.94705	0.7
374.13754	3.0
389.16113	100.0
390.16443	7.1
419.17365	2.3
447.09106	0.9
521.26086	17.4
521.33618	1.8
522.26276	0.9
581.15131	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28693	0.6
57.03454	1.9
59.01391	6.5
69.35424	5.1
71.01399	8.7
73.02967	3.6
83.01389	1.4
85.02958	6.9
87.00899	1.2
89.02472	2.5
93.02170	0.6
93.03409	0.9
99.00879	1.1
101.02442	5.9
102.34680	0.6
109.02993	1.1
113.02457	2.9
116.92846	1.1
119.05066	1.1
121.02945	1.8
122.03767	1.0
125.02447	1.2
133.01436	1.4
135.04530	1.1
136.01637	0.7
137.02467	4.2
145.02911	1.5
147.04568	2.2
149.02434	3.1
150.03244	6.8
151.00330	0.8
151.04062	4.3
152.04794	1.5
155.10770	0.9
161.04590	2.4
161.06013	0.7
163.04074	4.3
164.04785	2.4
165.01903	0.9
165.05571	7.7
166.02693	0.7
174.03209	2.4
175.04042	14.7
176.04694	2.7
177.05565	1.6
179.03487	1.0
179.07182	1.5
180.04289	7.9
181.05081	1.5
188.04820	3.1
189.05609	7.3
190.02682	1.2
190.06381	18.4
191.01996	2.1
191.07156	14.8
193.01469	1.4
193.05090	7.2
194.05844	5.5
195.06662	6.9
203.07101	1.6
205.05238	1.1
205.08694	14.7
206.05780	1.1
206.09071	1.0
207.06659	5.1
208.03764	2.8
208.07425	12.6
219.03314	0.8
222.09001	2.9
223.06157	14.1
223.09653	2.0
227.16493	1.3
247.79704	0.7
286.46509	1.0
327.05206	1.1
359.11505	0.8
374.13327	1.3
377.16309	0.8
389.16113	100.0
390.16479	7.6
396.52057	0.7
419.12726	1.0
419.17230	2.2
447.09659	0.9
449.16626	1.3
521.26172	24.9
521.33099	1.7
522.26691	2.5
581.13147	0.8
583.89166	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88128	1.0
59.01112	0.8
59.01379	5.8
61.98828	5.5
62.71802	0.9
65.00314	5.0
68.99820	2.3
69.96320	4.3
71.01385	2.8
72.99314	3.3
75.00880	41.6
89.02445	6.5
98.20568	1.3
99.00883	1.7
106.04246	1.2
112.87466	0.9
117.01961	2.3
129.07123	1.4
132.05827	25.8
133.06596	10.6
134.00102	1.9
135.03009	66.8
147.00964	0.9
151.00449	1.0
157.06572	3.2
159.04541	1.8
159.08189	1.9
161.02477	1.3
161.06020	1.5
161.09698	2.5
164.04810	14.4
174.03482	0.9
175.00409	1.9
175.07697	1.1
176.01143	1.7
185.06062	2.7
185.09734	0.9
186.03172	1.3
186.51108	1.0
187.03993	3.5
187.07703	2.8
187.11298	87.6
188.11662	4.0
199.04036	2.3
201.05569	2.7
202.06480	1.9
203.03523	1.2
213.09279	1.1
215.03586	1.9
219.06677	2.1
229.05072	12.6
230.05777	2.8
231.06647	9.5
243.06729	3.2
245.04605	10.0
245.08244	2.5
247.06168	11.4
255.10274	4.4
257.04572	20.2
257.11929	1.3
258.05353	29.0
259.06140	5.8
261.07666	5.0
271.06152	3.8
273.07568	3.0
275.05762	2.4
303.05139	1.7
328.83875	1.0
407.18665	2.4
417.17007	3.1
433.16522	40.8
434.17023	4.5
435.18134	18.7
436.18564	1.9
445.16580	100.0
446.16879	12.7
447.18222	5.3
459.18015	2.7
461.15823	5.6
463.17633	23.6
464.18347	1.6
477.19174	1.3
489.19266	5.1
491.17032	14.1
492.17560	1.2
499.74908	1.2
519.20105	1.7
521.12903	1.4
524.16064	1.0
535.19672	2.3
537.21552	3.2
553.20807	1.1
581.19763	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
55.38398	0.7
57.03458	1.1
59.01386	5.7
61.36489	0.9
69.28663	6.9
70.66570	0.6
71.01394	5.7
73.02942	2.8
75.00885	0.8
77.93558	0.7
83.01385	1.3
85.02959	8.1
89.02454	2.0
90.38076	0.7
98.20650	1.5
99.00857	1.0
101.02444	3.7
113.02440	2.0
115.00389	0.8
119.46614	0.7
125.02457	1.2
125.07727	0.8
131.13905	0.7
133.01454	1.1
137.02478	3.9
145.02928	2.1
147.04538	1.5
149.02493	2.0
150.03226	3.8
151.04030	3.2
152.04811	1.1
153.01981	1.1
155.10844	0.8
161.04636	1.6
163.04022	4.0
164.04826	1.4
165.05550	3.5
167.03499	0.9
174.03291	3.8
175.04028	16.3
176.04832	3.5
177.05611	1.9
179.03455	0.8
180.04300	6.2
188.04765	3.4
189.05594	4.2
190.02812	1.6
190.06371	19.5
191.01935	1.4
191.07144	11.7
192.04222	1.1
193.01410	1.1
193.05043	5.4
194.05901	5.6
195.06673	3.9
203.07210	2.2
205.05128	0.9
205.08696	15.0
206.09158	0.8
207.06627	5.2
208.03822	1.6
208.07422	12.5
210.02473	0.7
221.08344	0.9
222.08931	2.9
223.06093	7.5
223.09656	1.1
227.16653	1.0
265.07193	0.8
285.04007	0.9
327.05338	1.4
335.94705	0.7
374.13754	3.0
389.16113	100.0
390.16443	7.1
419.17365	2.3
447.09106	0.9
521.26086	17.4
521.33618	1.8
522.26276	0.9
581.15131	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65742	14.4
59.01389	18.7
61.98840	30.9
64.08202	12.3
66.69382	15.3
69.18454	40.5
69.18874	100.0
74.44736	13.1
92.68565	11.9
95.11875	12.0
103.81957	13.0
104.85677	11.5
128.03719	13.6
130.47685	12.5
209.11856	14.5
219.01750	15.3
369.06198	21.5
389.52219	13.4
437.99976	13.6
552.23810	17.0
563.99591	16.5
577.06262	13.7
579.13263	25.1
579.29236	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
57.03452	3.4
57.67616	0.5
58.00611	0.7
59.01386	17.2
61.98843	3.6
64.50713	0.5
66.48135	0.6
67.01894	1.0
68.99809	1.3
69.75189	2.1
71.01020	0.9
71.01390	17.4
71.05013	0.8
72.99327	4.4
73.02947	2.1
75.00883	16.3
83.01376	1.4
85.02467	1.2
85.02962	19.6
87.00881	6.1
89.02460	4.1
91.86651	0.5
93.03472	0.5
95.01392	5.0
96.96038	3.2
97.06601	0.6
98.19985	0.9
99.00891	10.5
99.08170	4.3
101.02439	3.6
103.00365	1.7
109.02969	0.8
111.00893	0.9
112.01688	0.6
113.02462	17.0
114.05614	0.7
114.45249	0.5
115.00379	1.4
115.04021	0.7
117.01922	1.6
119.41484	0.5
123.73776	0.5
125.02448	0.6
125.09782	0.8
127.11284	1.7
127.25172	0.5
129.01970	3.7
129.09210	1.3
131.03566	0.5
137.09625	0.6
139.00334	0.8
139.11311	6.2
147.03030	1.1
155.10713	0.7
157.01453	1.3
157.12321	0.9
171.10284	24.8
175.02452	2.0
191.01941	1.4
199.13391	3.5
205.07109	0.9
211.13441	3.2
229.14439	1.9
231.05058	0.9
249.06174	8.2
267.07239	21.4
285.04153	1.1
285.99725	0.6
287.22211	1.4
293.21143	0.9
311.22250	1.6
329.23361	24.6
330.23508	0.9
331.24765	1.2
369.06174	1.5
399.07208	1.0
402.55478	0.6
449.27615	12.0
450.27612	0.8
459.09134	0.6
489.10730	1.0
535.33173	5.3
561.29309	1.8
579.14209	3.2
579.30151	100.0
580.30524	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	581.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.7
59.01380	2.2
69.03450	1.9
69.19770	4.3
69.20193	6.7
71.01388	3.8
73.02946	2.4
78.51488	1.1
79.01880	1.7
80.91321	1.0
81.03461	14.7
83.01399	13.2
85.02944	6.1
93.03465	3.2
95.01408	5.4
95.05042	6.4
97.02962	12.3
99.04517	7.0
101.02439	1.4
107.05035	2.8
108.02180	1.3
109.02975	5.6
111.00886	1.5
111.04512	6.0
113.02454	3.8
115.72378	1.1
117.03476	3.8
119.05029	1.5
121.02946	4.3
121.06544	1.5
123.00913	1.7
123.04539	33.0
125.02462	44.1
126.02755	1.6
135.04552	5.2
137.02455	13.9
137.06081	3.9
138.03194	1.7
139.03996	4.6
147.04482	1.7
149.02444	3.1
149.06041	1.2
151.03998	7.5
153.05595	5.1
155.03548	2.0
163.00435	2.4
163.04034	4.2
165.01933	3.6
165.05540	4.0
167.03511	56.3
168.03879	1.6
175.04019	1.8
177.01953	1.7
177.05626	2.2
179.03513	16.3
181.05066	3.7
191.01941	1.2
191.03528	4.2
193.05042	3.1
197.04572	19.9
207.06613	1.2
209.04576	100.0
210.04900	3.9
221.04611	5.4
239.05632	94.5
240.05923	2.1
251.05614	7.7
263.05630	1.3
269.06696	43.1
270.06876	2.6
277.03543	1.8
281.06726	11.9
299.05020	1.6
299.07782	17.0
302.49042	1.3
307.04694	1.5
311.07803	9.5
329.08804	16.6
332.97784	1.2
341.08844	4.1
341.90512	1.2
353.06699	3.5
359.09964	4.0
364.01224	1.2
369.06232	1.5
370.06500	1.7
371.07709	36.5
372.08127	2.6
383.07718	4.1
400.07858	1.8
401.08682	32.3
402.09195	2.0
415.09564	1.1
419.11926	9.9
420.12387	1.1
431.09857	7.2
443.09836	3.5
449.87640	1.3
461.10825	17.9
473.11047	6.1
491.11798	13.0
503.11551	1.7
526.58600	1.2
563.13989	2.5
581.14697	23.5
582.15271	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23385	25.5
59.01384	57.8
61.98826	79.4
68.69303	23.9
70.54481	62.3
70.54875	50.2
75.94404	24.9
78.95904	45.4
85.02956	48.8
85.52842	29.9
86.23554	29.7
117.10556	24.3
117.93205	25.0
191.01942	27.6
233.67865	29.2
339.72775	32.4
477.44284	27.6
579.13654	100.0
579.25482	45.5
580.12970	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	579.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66488	0.7
59.01370	1.1
61.46550	0.9
65.74502	0.7
69.03461	1.1
71.01394	8.6
71.53521	0.8
73.02950	1.4
78.95919	0.7
78.98598	6.0
79.95747	10.3
80.96529	59.8
81.03413	1.0
85.02952	2.4
87.00881	1.8
94.98101	13.8
96.96021	5.6
97.02992	0.7
99.04546	0.7
101.02447	1.7
106.98100	2.7
117.42015	0.7
120.15514	0.7
122.97616	2.0
125.02473	1.8
125.46871	0.7
127.04036	1.0
134.68849	0.6
134.97597	4.0
148.99146	4.9
152.98640	5.9
164.98657	10.9
167.00192	0.8
206.99672	2.2
209.11810	2.9
214.81625	0.7
225.00795	12.2
233.78049	0.6
279.23340	1.9
295.22833	1.2
299.04474	1.8
336.89935	0.8
406.13879	0.8
579.28503	100.0
580.28839	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	579.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	28.0
61.98827	27.2
71.25409	18.8
78.50568	20.7
85.03001	31.7
88.95869	22.7
106.25136	21.0
108.69894	20.5
118.59035	21.2
149.83583	22.2
307.19241	30.7
369.06393	22.7
399.06900	24.2
448.66769	24.7
489.10599	25.2
579.13770	100.0
579.26080	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01909	0.9
57.03447	3.6
59.01386	19.2
59.67004	0.6
60.82972	0.6
61.98842	3.0
69.53857	1.1
69.54266	2.7
71.01393	6.5
71.05025	0.7
71.92102	0.6
72.99326	0.8
73.02953	3.0
75.00877	2.0
83.01392	1.7
83.05009	0.6
85.02953	12.2
87.00880	4.3
89.02457	3.8
95.01396	1.1
96.96003	1.7
97.06605	1.7
99.00896	1.3
101.02462	4.4
102.87592	0.6
107.05026	4.6
108.02182	33.5
109.02999	0.8
111.17138	0.6
113.02464	4.5
119.03512	1.2
119.05030	2.3
120.05843	1.9
121.03043	0.8
122.03743	0.7
123.04545	15.3
129.01955	2.6
131.03517	0.6
135.04541	2.9
137.02480	0.8
137.09712	0.7
140.94342	0.6
147.03004	1.6
151.04021	1.1
152.01167	59.9
153.01775	1.8
159.11792	0.8
161.04594	1.4
161.09746	9.9
161.13367	5.1
163.04008	3.0
167.03514	100.0
168.03883	3.0
187.11310	17.3
189.09219	8.1
191.02031	4.9
203.10698	1.2
205.12360	5.6
207.10229	1.1
209.02962	1.1
223.13469	3.8
249.11356	10.9
267.12442	5.6
282.05112	0.8
283.05884	0.9
285.04160	1.1
311.07635	0.9
325.07278	1.2
326.07532	1.4
327.07770	2.6
329.08838	7.9
329.23343	0.7
357.09900	0.6
369.06094	0.7
399.07053	0.8
399.23560	0.7
399.35202	0.6
411.16589	5.1
519.31964	4.0
537.33044	1.0
552.37140	0.7
579.20880	19.4
579.30920	8.5
580.21246	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.9
55.32079	0.7
57.03459	3.8
59.01386	50.5
59.21213	0.8
60.01694	1.0
61.98824	3.0
63.57904	0.7
70.74794	0.8
71.01393	12.1
72.14278	0.8
72.99294	1.1
73.02941	2.5
75.00871	1.7
79.95749	1.1
83.01417	1.8
85.02961	21.5
87.00882	1.9
89.02455	4.2
93.03484	1.4
95.01376	2.2
96.95389	1.3
96.96025	25.6
99.00897	1.1
101.02464	7.8
108.02208	1.1
109.02990	1.0
111.00855	0.8
113.02473	6.5
114.02837	0.8
119.03510	2.5
119.05028	2.6
121.02966	4.1
122.02467	1.9
122.03735	2.0
123.00867	1.1
123.04543	1.2
125.02444	0.8
129.01965	3.0
134.03729	0.9
135.02998	0.9
136.01678	42.4
137.02435	2.5
143.03481	1.2
147.02977	1.8
149.02463	0.9
151.04027	61.1
152.01163	2.5
152.04353	1.3
153.01886	0.9
159.03044	1.1
161.04538	4.3
163.04034	4.1
164.04796	1.0
166.02664	1.4
167.03484	4.4
175.04022	1.0
177.05612	1.5
179.03487	1.5
179.05719	0.8
181.05096	0.9
191.01962	7.5
209.03041	1.8
267.11542	1.0
269.34586	0.8
279.67813	0.8
285.04025	9.5
342.11136	11.9
357.13458	100.0
358.13858	6.8
372.09412	1.3
373.09674	1.3
375.27713	1.0
417.15454	2.4
464.34933	0.9
519.32184	12.1
535.21185	0.8
537.32776	3.3
579.13507	5.7
579.29858	3.2
580.15411	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
55.75602	1.1
57.03452	6.2
59.01391	9.1
69.91872	1.2
70.35532	1.1
70.99381	2.2
71.01391	7.1
72.63475	1.0
75.00873	2.3
83.01380	2.1
84.02164	2.3
85.02963	49.0
89.02444	3.2
89.08698	1.2
93.03452	1.7
95.01346	1.7
96.96001	2.7
101.02427	3.2
109.02954	2.5
111.00842	1.7
117.03466	1.6
119.05047	8.5
121.02966	1.5
123.00891	3.1
125.02429	2.5
129.01962	7.5
131.45184	1.1
133.02979	7.5
135.04550	2.1
137.02467	10.6
147.03035	6.2
149.02415	3.7
150.03180	2.3
151.00388	23.3
151.03983	1.3
152.01134	2.8
152.04880	1.3
163.04018	10.5
166.02733	53.8
167.03418	4.0
173.00902	2.5
175.04004	3.8
177.01949	4.8
179.03442	1.2
180.04260	1.3
181.05084	65.4
182.05421	2.6
191.01999	18.5
191.03569	2.2
199.03966	1.8
201.01883	1.3
207.02904	2.3
207.06822	1.3
209.02975	3.7
217.05165	1.1
241.05035	1.4
256.03864	1.3
284.03333	3.8
285.04080	100.0
286.04333	5.2
286.07184	1.5
289.16489	1.2
297.06976	1.3
299.08289	2.4
339.04956	1.3
343.21597	1.4
354.06567	2.2
355.07214	2.9
356.07480	1.4
359.11435	2.2
369.06244	1.9
371.06787	1.7
373.07730	1.3
386.08496	1.2
387.10815	14.5
388.11563	1.5
399.07071	2.0
402.13165	4.8
417.15610	98.1
418.16022	8.2
433.13461	2.5
444.39032	1.2
477.12186	2.3
493.11255	3.5
503.07544	1.3
519.31909	2.7
549.40588	1.7
579.14282	47.4
580.14294	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	579.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25264	0.5
55.01872	1.0
57.03460	3.0
59.01385	24.0
61.98544	0.7
61.98840	8.2
71.01395	9.9
71.05022	1.0
71.55064	0.7
72.99326	1.3
73.02964	3.5
75.00874	2.8
77.58379	0.5
78.84430	0.6
81.03458	1.3
83.01402	2.1
83.05008	0.7
85.02959	14.9
87.00890	4.9
89.02451	3.7
95.01394	1.7
96.96012	3.2
97.06622	1.6
99.00885	3.2
101.02449	5.5
105.43876	0.6
107.05049	3.8
108.02187	31.6
109.02983	1.0
111.00861	0.8
113.02453	5.3
119.03514	1.2
120.05804	1.6
121.02901	0.6
122.02468	0.8
123.04543	14.6
125.02494	1.5
129.01976	1.4
135.04546	2.2
139.89870	0.6
147.03029	0.8
149.06114	0.8
152.01172	59.3
153.01822	2.0
159.02998	0.9
161.04568	1.7
161.09724	8.2
161.13390	5.3
162.67633	0.6
163.04028	0.7
163.11188	1.0
167.03514	100.0
167.98177	0.7
168.03816	2.9
169.10391	0.6
187.11302	14.6
189.09224	8.0
191.02010	5.3
193.05106	0.8
201.11453	0.7
203.10765	0.7
205.12343	5.6
207.10188	0.9
209.03058	1.4
209.11827	2.0
216.50604	0.6
223.13452	2.2
231.10159	0.6
249.06126	1.3
249.11360	7.9
250.11845	0.6
253.14540	0.6
267.07083	1.1
267.12363	5.9
283.06042	0.7
284.06552	1.4
285.04007	1.2
311.07883	1.2
329.08810	6.8
329.23380	2.6
369.06161	1.2
411.16602	4.8
412.17435	0.9
417.15060	0.6
447.25858	0.7
459.09488	0.6
519.31329	2.6
537.28802	1.0
547.16241	0.6
579.13788	1.3
579.20959	12.8
579.33563	25.5
580.21021	1.6
580.34045	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59805	0.7
55.01880	2.9
57.03455	16.1
59.01389	14.6
59.26181	0.7
61.98830	1.8
71.01389	11.1
71.54283	1.2
72.99318	1.7
73.02958	1.7
75.00879	3.2
81.98045	0.7
83.01392	2.4
84.02186	1.7
85.02962	100.0
86.03325	0.7
87.00897	4.4
89.02422	3.4
93.03470	0.9
95.01382	1.0
96.96031	2.5
99.00945	1.0
101.02456	3.6
111.00913	2.8
113.02441	2.9
115.00382	1.0
119.03612	0.8
119.05049	10.3
122.03765	1.6
123.04509	1.4
125.02454	1.0
129.01971	15.4
133.02951	0.7
145.02969	1.1
147.03020	14.8
161.09743	1.6
163.04024	13.8
167.03516	1.5
168.77730	0.8
173.00935	6.1
179.10727	1.0
180.15067	0.8
187.11232	1.0
191.01994	47.3
193.05057	1.0
197.11818	1.8
209.03041	9.8
223.09688	1.4
225.52824	0.7
241.10893	2.4
269.04630	2.0
285.04001	1.0
291.92789	0.8
325.25919	0.8
337.05655	5.4
342.69016	0.8
369.06039	1.1
371.13522	10.2
399.07059	1.2
415.12790	1.7
433.13596	13.0
434.13934	1.7
486.56357	0.9
489.10156	0.9
519.32007	3.7
537.32892	1.1
578.29291	2.5
579.12451	4.3
579.21027	4.1
579.28821	7.0
581.58551	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1362
Annotation	Isoorientin 6''-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
51.18938	1.4
57.03458	9.1
59.01389	10.3
63.32613	1.3
69.34223	10.9
71.01394	7.8
72.99300	1.9
73.02953	1.8
75.00882	1.7
83.01393	3.2
83.54900	1.7
84.02151	1.8
85.02960	56.8
85.74634	1.3
87.00849	2.1
89.02422	4.6
96.96031	8.7
96.99275	1.4
98.20695	3.0
101.02460	3.6
103.00343	2.8
107.01369	1.8
109.02949	4.8
111.00860	1.7
113.02421	2.8
115.00426	1.7
117.03449	2.1
119.05030	3.1
121.02930	3.0
123.04541	1.9
125.02447	3.0
129.01926	6.7
133.02977	14.6
134.03729	2.8
135.04495	2.4
137.02406	1.6
145.02933	2.6
146.03792	1.8
147.02997	6.9
147.04382	1.4
149.02437	3.9
149.04443	2.1
149.06062	1.5
150.03188	1.8
151.00307	1.8
151.04089	1.7
151.96521	1.5
161.02388	2.4
163.00339	3.5
163.03969	3.0
164.01282	1.9
165.01907	1.7
167.03400	1.6
173.02400	2.0
175.02609	1.7
175.03926	8.7
177.01906	3.5
185.06046	2.0
187.04027	1.8
187.05595	1.5
189.05429	1.9
191.01996	25.0
191.03560	1.9
199.04010	2.2
203.03479	1.6
209.03125	9.3
213.05508	2.9
215.03455	1.8
217.05116	6.8
221.06779	1.6
229.04974	3.0
240.04282	1.6
241.04973	3.1
241.08488	1.7
241.38878	1.5
242.05820	2.2
253.05219	1.8
255.06689	1.6
257.04556	4.7
257.08197	3.3
267.06824	2.3
269.04544	2.4
271.17746	1.6
283.06088	2.8
284.03195	8.0
285.04074	100.0
286.04385	5.8
297.04074	11.1
297.07062	2.3
298.04749	10.7
299.05569	16.0
311.05554	5.6
312.06427	1.7
313.03552	4.0
313.07126	5.6
325.07138	3.6
327.05103	73.2
327.11621	2.7
328.05389	5.0
339.05151	8.8
341.06671	4.3
353.06650	5.5
355.08087	3.0
357.06165	25.6
358.06335	2.2
369.06143	23.2
370.06580	2.5
381.06180	4.2
387.10864	7.7
393.06244	3.9
399.07275	15.5
411.07150	5.4
429.08322	3.4
459.09131	18.1
473.10986	3.2
489.10358	14.6
519.11554	2.6
519.24500	4.2
561.12598	6.4
579.13513	74.3
580.13684	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	579.136
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77240	0.9
62.01399	1.0
69.54446	4.2
69.54858	2.1
70.93394	1.1
85.02938	1.5
109.02948	2.3
123.72964	1.1
133.02975	12.2
134.03703	1.8
135.04526	2.2
147.04466	1.5
149.02414	1.3
150.03255	1.0
151.04008	1.2
155.27560	1.0
163.04005	1.7
175.04002	3.7
177.01915	3.8
177.05487	1.1
191.01947	1.7
191.03506	1.4
201.02008	1.2
203.03624	2.2
205.01273	1.2
213.05504	1.5
217.05038	1.1
245.04237	0.9
253.05028	1.3
267.06619	1.9
269.04581	1.6
283.06018	1.6
295.06192	1.6
297.04053	4.3
297.07446	1.2
298.04819	10.4
299.05621	5.2
309.04153	1.9
310.04855	1.7
311.05588	10.9
312.06390	12.9
313.07184	8.8
323.05499	2.3
325.07187	1.7
327.05060	10.7
339.05133	19.9
341.06683	8.1
351.05319	1.3
353.06720	4.1
357.06223	4.2
369.06174	54.3
370.06360	3.9
371.07727	2.3
381.06213	8.7
387.11176	1.4
399.07227	47.9
400.07550	4.4
411.07199	6.2
423.07062	1.7
429.08340	10.7
441.08304	8.7
459.09387	44.2
460.09641	4.6
471.09128	2.1
489.10422	19.7
490.10504	1.0
519.11707	2.9
561.12598	3.8
579.13599	100.0
580.13892	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	579.136
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84743	2.2
85.02949	1.7
109.02940	3.5
133.02972	10.3
134.03775	0.9
135.04500	1.6
149.02431	1.2
149.06064	0.8
160.79602	0.8
161.02452	1.4
163.04060	0.9
175.04013	2.5
177.01958	2.8
177.05597	1.1
179.03491	0.9
187.04042	1.3
189.01973	0.8
189.05533	1.1
189.88759	0.8
191.03494	1.7
199.03940	0.8
201.01958	2.0
203.03468	1.7
205.01357	1.2
205.05159	1.0
209.63266	0.9
213.05626	0.9
217.05045	1.2
221.04494	0.8
223.07814	0.7
227.03476	1.3
233.04623	1.1
253.04909	1.3
267.06747	0.8
269.04559	1.5
283.05954	1.5
285.03897	1.3
295.06198	1.1
297.04037	4.0
298.04871	8.4
299.05609	5.0
309.03961	1.4
310.04831	1.0
311.05673	8.9
312.06415	9.4
312.09967	1.1
313.07181	11.3
314.07434	0.8
323.05566	1.9
325.07181	1.0
327.05176	9.3
339.05142	16.2
340.05569	1.4
341.06641	8.4
344.05536	1.0
351.05078	1.5
353.06754	4.6
357.06009	1.8
367.04556	0.9
369.06165	51.4
370.06345	3.9
371.07748	1.6
381.06201	7.9
383.07690	1.0
397.23328	0.8
399.07245	35.8
400.07635	2.4
411.07288	5.5
423.07196	1.5
429.08307	9.5
441.08258	3.0
453.08569	1.1
459.09396	16.3
460.09607	1.0
471.09290	2.5
489.10419	30.2
490.10767	2.6
519.11554	7.7
543.11560	0.9
561.12683	3.6
579.13580	100.0
580.13800	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	579.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
60.11175	0.7
69.42235	4.7
71.01388	1.0
73.02912	0.6
76.06935	0.6
79.01887	0.8
83.01397	1.1
85.02984	0.7
109.02956	3.3
109.58150	0.6
119.05135	0.9
121.18843	0.6
127.11452	0.7
133.02969	11.6
134.03694	1.1
135.04549	1.5
142.27574	0.6
149.02495	1.1
149.06055	1.1
151.04060	0.9
159.04475	0.9
161.02409	0.9
162.03072	0.7
163.04028	1.5
175.04027	3.5
177.01955	2.2
177.05669	1.7
191.03561	1.1
201.01973	1.5
203.03548	2.1
205.01506	1.0
205.05087	1.6
213.05566	1.2
217.05069	1.0
222.58942	0.7
239.07234	0.7
241.05069	1.0
250.75793	0.7
253.04906	0.9
255.06487	0.9
267.06769	0.9
271.02573	0.6
281.04654	0.9
283.06161	1.6
287.95648	0.7
293.04599	0.7
297.04327	3.4
297.07285	0.7
298.04843	9.6
299.05460	3.6
309.04025	1.8
310.04843	1.5
311.05597	7.4
312.06375	9.1
313.07178	10.2
323.05582	2.4
325.07242	1.8
327.05194	6.0
328.05695	0.7
339.05045	12.6
340.05588	1.2
341.06726	7.1
344.05276	1.2
351.04971	1.1
353.06693	2.7
357.06119	2.1
367.04700	0.7
369.06177	47.7
370.06534	2.7
371.07599	1.0
381.06165	7.4
382.06403	1.0
383.08099	1.1
397.06009	0.9
399.07254	37.5
400.07660	2.9
411.07199	5.4
423.07135	1.1
429.08359	6.3
432.64496	0.7
441.08304	2.4
453.08319	1.3
459.09302	7.8
460.09921	1.4
471.09192	3.2
489.10449	33.8
490.10718	3.4
501.10739	1.0
519.11395	8.3
561.12286	3.5
579.13599	100.0
580.13934	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1358
Annotation	Luteolin 7-arabinofuranosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
55.01901	0.7
57.03482	1.2
59.01388	11.8
63.02439	1.2
65.00346	0.6
67.21528	0.4
69.57401	1.4
69.57822	1.0
71.01388	3.7
73.02618	0.4
73.02988	1.8
83.01422	1.7
85.02964	6.7
85.44074	0.4
87.00932	0.5
89.02470	0.5
95.01407	0.4
96.96021	0.4
98.20634	0.8
99.00930	0.7
101.02464	2.5
107.01390	2.1
109.03003	1.2
113.02512	1.1
117.03516	0.4
119.03508	0.4
121.03025	0.7
125.02473	0.4
129.02014	0.8
130.25993	0.5
133.02957	4.8
135.04585	0.4
147.03000	0.7
149.02472	1.3
151.00400	3.1
161.04619	0.6
171.04539	0.6
175.03996	2.0
191.02002	3.2
198.03238	0.8
199.04100	2.0
217.05081	0.9
223.08118	0.4
227.03490	0.5
229.05087	0.6
241.05017	1.0
243.02994	0.7
284.03336	6.8
285.04071	100.0
286.04507	4.6
286.07471	0.6
297.07510	1.2
298.07999	0.7
299.08133	0.5
353.06445	1.1
354.07117	0.9
355.07126	1.7
385.08142	1.1
459.11896	0.9
519.28009	7.2
537.29175	3.4
579.13666	56.4
580.13849	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	579.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70589	0.5
55.01897	1.0
57.03230	0.5
57.03479	1.9
59.01387	12.6
61.00486	0.5
63.02435	0.6
65.00386	0.5
68.99820	0.6
69.21152	4.3
71.01387	3.5
72.99357	0.5
73.02973	1.2
75.00932	0.9
83.01439	1.0
85.02956	11.6
87.00981	0.6
89.02496	0.8
93.11721	0.5
99.00924	0.6
101.02467	2.5
107.01443	1.1
108.02221	0.7
109.03010	0.6
113.02509	1.7
133.02989	5.2
134.03883	0.5
147.00749	0.6
147.03033	1.1
149.02463	1.5
151.00423	2.8
161.04630	1.2
173.08983	0.5
175.04068	1.7
177.02029	0.5
191.01979	7.2
199.04037	1.9
209.03230	0.5
215.03615	0.6
217.05034	0.9
241.05070	1.0
243.02829	0.9
256.03885	1.1
284.03299	7.3
285.04074	100.0
286.04456	6.2
297.07489	1.1
298.08041	0.6
299.08426	0.6
325.06949	0.6
353.06458	0.7
354.06961	1.4
355.07053	2.1
385.08264	1.5
417.10156	0.7
448.12259	0.7
459.11960	1.2
519.28052	7.3
537.28961	3.3
566.57867	0.6
579.13666	53.1
580.13879	5.9
598.09912	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.136
Annotation	Lucenin 3
Peak:m/z	Relative Intensity
52.34210	1.1
57.03449	1.5
59.01380	2.0
70.70876	2.7
71.01368	1.6
77.45829	1.4
83.01410	1.1
85.02946	7.3
96.96017	5.0
97.02969	1.3
97.15594	1.1
109.02945	9.5
114.22729	1.3
123.04509	3.9
125.02457	4.2
130.33430	1.3
133.02977	13.4
135.04527	2.5
137.02440	3.7
149.02448	2.6
151.04010	3.7
159.04518	2.8
161.06076	1.5
162.03186	1.2
163.04045	1.5
163.82819	1.2
164.01208	2.1
173.02596	1.4
174.03168	1.4
175.04010	5.0
177.01898	2.5
177.05612	2.4
179.03545	2.6
187.04068	1.5
188.04800	1.1
189.01984	1.6
189.05421	1.4
191.02007	3.4
201.02025	2.5
203.03496	1.8
203.07207	2.3
205.01566	1.3
205.05067	3.1
209.03018	4.7
222.88966	1.1
245.08299	4.4
255.52792	1.1
264.04178	1.3
269.04584	1.3
283.06223	2.2
289.07214	21.8
290.07297	1.3
297.04065	4.6
298.04926	10.9
299.05609	4.1
310.05054	1.4
311.05667	7.9
312.06403	13.5
313.07187	8.3
323.05594	2.1
325.07443	2.3
327.05179	8.4
339.05115	15.5
340.05438	1.7
341.06738	9.3
353.06635	4.1
357.05997	2.9
367.04520	2.3
369.06174	57.3
369.10861	2.9
370.06525	4.0
371.07761	1.4
381.06104	6.7
383.07874	1.8
387.10971	2.3
397.05801	1.5
399.07233	41.7
400.07602	2.5
411.07352	6.3
418.76288	1.4
423.06824	1.3
429.08182	7.7
441.08435	4.2
459.09338	30.2
471.09821	2.2
489.10428	30.9
490.10870	3.9
492.31372	1.4
519.11591	4.8
561.12695	5.1
579.13586	100.0
580.13892	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	578.347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	20.4
66.04111	0.5
69.24943	0.9
69.25354	3.9
78.95914	20.3
79.95743	0.7
80.96523	4.7
91.79788	0.4
94.98093	1.4
103.03589	0.4
122.98491	0.6
152.99611	3.8
164.98697	0.5
168.04338	3.2
169.31538	0.5
205.62125	0.5
224.06960	9.2
225.00748	0.8
242.08116	2.4
261.22223	0.5
279.23318	100.0
280.23666	6.1
382.66272	0.6
504.31021	61.1
505.31329	5.9
578.27136	6.7
579.13702	0.6
579.27509	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	14.5
70.76665	0.8
70.77010	0.4
71.01392	1.4
73.97676	0.3
78.95922	4.9
78.98606	0.9
79.95745	1.6
80.96525	9.3
82.45967	0.3
82.96130	0.6
94.98093	2.3
101.02462	0.5
104.50351	0.3
106.98114	0.5
122.97576	0.4
125.02395	0.5
134.97594	0.8
140.16479	0.4
141.56532	0.4
148.99194	0.9
152.98676	1.1
152.99710	0.6
164.98582	1.7
168.04283	1.4
192.26978	0.3
212.27205	0.4
224.06883	0.9
225.00768	1.5
226.01006	0.7
242.08015	2.5
279.23322	100.0
279.79309	0.3
280.23648	6.1
331.57401	0.4
504.31024	29.8
505.31247	2.5
535.21136	0.4
578.27216	17.5
579.26971	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	578.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92233	0.6
59.01363	0.7
61.98840	100.0
69.50650	4.0
71.01407	1.1
78.98617	0.9
79.95750	1.6
80.96526	8.2
85.04248	0.6
94.98080	1.4
100.16164	0.6
101.02473	0.6
105.32932	0.8
106.98103	0.7
111.54511	0.7
128.25537	0.6
140.57759	0.7
152.98633	0.9
164.98671	0.9
174.67174	0.7
176.27609	0.7
195.40446	0.6
225.00697	1.9
279.23337	1.6
280.23648	1.7
281.24002	1.5
325.74133	0.8
334.17798	0.7
385.46555	0.6
512.13086	0.7
566.83356	0.7
579.28522	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	577.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71780	0.7
51.38646	0.6
55.01877	1.6
57.03460	7.0
59.01120	0.9
59.01389	15.3
61.98838	6.4
67.01883	0.7
68.99818	1.1
69.03454	1.0
71.01395	14.7
71.54414	0.8
72.99318	4.6
73.02954	2.0
75.00475	1.1
75.00876	13.7
83.01382	1.8
83.05045	0.8
84.02169	1.7
85.02963	60.9
86.03297	1.6
87.00896	6.0
89.02441	3.3
95.01379	4.1
95.05039	1.0
96.96025	7.6
97.06590	1.9
99.00901	7.7
101.02484	1.9
103.00371	2.0
105.02309	0.7
109.02939	2.3
111.00912	1.3
111.04531	0.8
113.02478	15.6
115.00367	1.5
117.01959	1.6
117.03532	4.1
119.03501	0.7
119.05008	1.7
121.02982	0.9
125.02457	2.0
129.01947	6.1
131.01419	0.8
135.04527	1.7
137.09734	1.2
139.00462	0.8
147.03033	4.7
149.02388	1.1
153.01924	4.1
161.02495	0.8
163.04060	1.1
171.10320	7.7
173.02383	1.1
175.00258	1.2
175.02466	2.9
179.03529	1.3
183.13904	1.7
185.11674	0.8
191.02003	27.2
201.11336	1.1
205.07088	0.9
209.03047	8.7
209.11803	1.6
211.13429	9.6
212.13681	0.9
215.06967	0.7
219.87265	0.7
221.11736	1.1
223.09761	1.1
229.14511	5.6
247.20659	0.7
249.06172	7.9
267.07266	1.7
283.06165	5.9
291.19421	1.6
293.04617	15.6
294.04858	1.8
296.11414	0.7
300.77255	0.7
310.11111	0.8
311.05640	8.5
312.05710	0.8
327.18216	1.1
327.21811	14.7
341.06552	0.7
346.45950	0.8
355.24835	1.4
390.59012	0.8
397.11389	1.4
413.08817	7.3
414.09082	1.7
415.12543	9.8
431.09839	10.1
517.29712	0.8
533.19788	1.0
559.27594	2.6
577.28607	100.0
578.28979	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	577.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03455	7.5
58.00601	0.9
59.01387	20.8
61.98821	1.9
67.01891	1.3
68.99556	0.7
69.03466	1.3
69.29892	3.6
71.01015	1.0
71.01392	16.7
71.05037	0.7
72.99313	4.7
73.02958	4.2
74.68462	0.6
75.00880	14.0
81.03455	1.1
83.01384	2.5
83.05025	1.7
84.02201	0.7
85.02961	27.6
85.03478	1.3
87.00889	5.8
89.02458	5.8
95.01404	4.0
96.96021	1.5
97.02953	0.8
97.06573	0.8
98.20618	0.8
99.00883	8.7
99.04520	2.7
101.02457	6.3
103.00368	1.9
109.02956	0.6
111.00890	2.2
111.08186	3.2
112.98587	1.3
113.02470	17.5
115.00349	1.3
116.75328	0.5
116.92810	0.5
117.01937	1.6
117.03450	0.7
119.03499	0.9
119.08644	1.2
121.02998	0.8
123.00894	1.3
125.02436	1.6
125.09712	1.5
127.11309	0.9
128.03590	0.6
129.01935	2.4
131.03548	0.6
135.03015	2.0
135.04504	1.6
137.02429	1.3
137.09688	2.4
143.03532	0.8
147.03015	1.5
157.01462	1.2
160.05305	0.6
161.04619	0.8
171.10286	12.4
175.02463	2.1
175.72017	0.6
191.01994	6.2
199.09741	0.8
200.17946	0.6
201.11357	6.0
205.07143	1.2
209.03027	1.8
209.11909	0.7
217.70229	0.5
223.09862	1.2
229.14415	0.7
231.05040	1.4
237.18704	1.1
247.17200	0.7
249.06157	6.8
255.19800	0.7
265.18192	4.3
267.07074	2.6
273.18521	2.6
282.05334	0.8
283.19202	8.6
291.19656	2.4
309.20663	2.4
320.09259	1.3
323.05630	0.9
325.07074	1.3
327.21771	16.6
328.22012	1.1
329.13962	2.1
371.20984	0.6
373.13028	1.0
373.25974	0.7
377.21674	0.6
415.12259	1.6
431.26208	0.8
433.18591	1.4
475.19824	0.8
515.22681	0.9
517.25562	2.6
533.21027	0.9
535.27246	0.9
559.27606	1.8
577.15839	3.4
577.28644	100.0
578.28790	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2873
Annotation	Atractyloside G 2-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.54980	0.8
55.01879	1.9
57.03455	4.8
58.00603	5.2
59.01385	100.0
61.98827	3.8
69.57237	0.8
70.08334	3.0
71.01392	67.2
72.14463	1.0
72.99310	6.0
73.02967	7.4
75.00904	2.4
83.01389	3.5
83.05038	1.0
85.02958	23.5
87.00900	7.4
87.04483	0.9
89.02455	67.0
95.01398	5.0
95.05013	1.0
96.96027	7.8
97.06590	6.9
99.00825	1.5
101.02455	38.7
111.00839	1.3
113.02464	26.0
117.03445	1.0
118.49968	0.9
119.03517	30.1
123.08158	0.9
125.02451	2.8
125.06075	6.5
125.09687	1.6
127.07660	2.0
129.01956	1.8
131.03493	3.2
131.06799	0.8
135.04567	1.3
137.02461	1.5
139.07640	3.7
143.03500	6.4
145.09811	2.5
147.03023	1.3
149.04544	2.2
149.08029	1.0
151.04065	1.3
151.07640	1.1
152.01141	1.2
157.08728	9.0
161.04584	5.3
167.03499	1.6
169.08711	3.9
170.02153	1.0
179.05626	11.5
185.08170	1.5
187.09778	4.1
187.13281	0.9
191.01979	4.1
191.14420	1.1
193.05200	1.0
215.12869	1.2
223.09755	3.4
227.12941	1.5
248.80368	0.9
257.13934	1.8
283.06009	1.6
285.03964	1.2
297.07596	1.0
311.05579	1.7
325.06915	1.0
328.01248	1.0
353.06528	1.8
355.07764	1.0
373.26193	1.1
397.22253	7.6
408.69162	0.9
415.10983	1.4
415.23486	4.5
415.31924	1.4
457.11343	1.0
517.31030	7.6
533.20496	8.0
534.20575	1.1
535.27112	2.5
539.34381	1.4
577.15912	4.2
577.28668	84.3
577.36359	4.1
578.29187	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	577.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.4
57.03454	1.7
58.00606	1.8
59.01386	100.0
60.01720	0.9
67.56392	0.3
69.03462	0.7
71.01389	48.2
72.01741	0.4
72.99326	2.3
73.02954	21.8
75.00881	1.3
81.03458	0.5
83.01396	6.5
85.02961	14.3
86.03284	0.4
87.00905	2.3
89.02454	33.2
90.02802	0.3
95.01399	4.9
96.96036	0.8
97.02948	0.7
99.00895	1.0
101.02456	28.7
102.02789	0.7
107.05058	0.5
111.00929	0.3
111.20827	0.3
113.02465	29.9
117.03469	3.4
118.03890	0.4
119.03516	14.2
119.04948	0.5
125.02472	1.8
131.03537	3.0
135.04543	1.2
143.03510	4.5
147.02998	0.8
149.02568	0.4
149.04568	1.8
159.04495	0.5
161.02429	1.1
161.04570	9.0
161.05925	0.7
162.02907	0.4
163.03989	0.5
165.04073	0.4
171.06018	0.3
173.02419	0.3
175.03987	0.5
177.01942	0.5
177.05678	0.5
178.02402	0.4
179.03531	0.6
179.05623	7.7
189.02023	0.8
191.01990	1.4
191.03595	0.8
203.03525	0.5
204.04001	0.3
205.05072	0.5
209.02939	0.3
220.37247	0.3
223.13409	1.5
224.08487	0.3
233.04652	0.3
267.12497	1.7
281.04645	0.7
282.05301	1.3
282.08197	0.4
283.06119	2.3
284.06433	0.5
285.06766	0.6
293.04584	3.8
294.04956	0.7
295.06158	2.4
296.06827	2.1
297.07648	6.0
298.07944	1.2
299.08191	0.5
307.06171	1.0
308.06482	0.6
309.07452	0.7
311.05481	2.1
311.08630	0.3
312.05817	0.4
313.06216	0.6
323.05399	2.0
324.05942	1.0
325.07159	3.0
327.08002	0.4
328.05862	0.6
330.93079	0.4
335.05737	0.9
335.26834	0.3
337.07047	1.4
339.08081	0.4
341.06470	0.8
351.04901	0.9
352.05447	1.4
353.06638	12.1
354.07056	1.7
355.07355	2.0
355.21344	1.3
365.06445	1.5
367.07895	0.4
371.06830	0.5
373.22617	0.5
381.06003	0.4
383.07693	8.3
384.08081	0.8
385.08368	0.9
395.07632	1.2
413.08685	3.3
425.09158	0.4
427.10327	0.5
429.17346	0.9
439.09769	0.6
457.11337	4.8
458.11667	0.7
461.09665	0.5
469.11511	0.3
472.10065	0.5
473.09985	2.5
474.10968	0.9
475.11411	1.3
487.12607	1.5
488.12152	0.4
489.09924	0.4
491.10999	1.3
503.11111	1.0
505.12698	0.5
517.26581	22.6
518.26514	2.3
535.27643	18.2
536.28156	1.5
550.73492	0.3
559.13684	1.9
577.15295	45.3
577.27917	1.7
578.15894	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	577.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09915	0.6
55.16003	0.5
57.03458	4.6
58.00594	0.7
58.14471	0.6
59.01387	22.9
61.98848	0.7
62.32262	0.5
68.99837	0.6
70.07019	1.2
70.07407	1.5
71.01015	0.8
71.01391	17.0
72.01713	0.5
72.99318	3.9
73.02967	3.0
75.00885	10.8
75.44807	0.6
81.03449	1.0
83.01392	1.1
85.02473	1.1
85.02962	15.9
87.00880	3.8
89.02454	6.3
93.03451	0.8
95.01396	3.4
96.96003	2.0
97.02939	0.7
98.19946	0.6
99.00889	6.2
99.04509	2.4
101.02455	4.1
103.00350	1.1
111.00897	0.8
113.01730	1.0
113.02462	15.5
115.00336	1.3
117.01919	1.0
119.03510	1.6
119.05098	0.7
125.02465	1.2
129.01923	1.7
131.02121	0.7
137.06000	0.6
143.03490	0.7
149.04608	0.8
151.11249	1.2
161.04608	0.7
166.60599	0.6
175.02466	1.9
185.11723	0.7
191.01941	1.4
197.15569	1.2
200.36929	0.6
207.14078	0.6
225.15005	6.5
226.15196	0.8
231.05318	0.6
233.15610	1.0
237.18608	1.7
247.17078	1.2
249.06174	6.6
251.16562	1.8
265.18063	6.2
267.07086	1.7
267.99280	0.5
273.18527	1.1
283.16119	1.1
283.19171	15.6
284.19376	0.8
291.19720	1.2
309.20718	2.1
327.18204	1.0
327.21780	10.0
329.13885	1.2
445.18625	0.9
485.22025	1.2
485.54764	0.6
517.26007	5.1
533.20227	1.2
535.27386	3.0
536.27893	0.7
559.27643	2.3
577.28650	100.0
578.28918	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	577.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.4
57.03452	2.7
58.00600	1.0
59.01388	100.0
60.01727	0.6
65.55965	0.3
69.03468	0.8
69.48105	1.8
69.48513	0.8
69.59040	0.3
70.28944	0.3
71.01393	32.9
72.99332	1.5
73.02959	10.7
75.00894	1.2
81.03477	0.5
83.01396	6.1
84.02178	0.4
85.02965	18.4
86.00130	1.2
86.03303	0.4
86.31400	0.3
87.00882	2.0
89.02456	7.2
90.45238	0.3
93.03455	0.6
95.01402	3.7
96.96023	0.7
97.02971	1.7
99.00889	4.3
99.04488	0.4
100.07133	0.3
101.02460	22.4
102.02798	0.6
106.77210	0.4
111.00897	2.1
112.01700	1.3
113.02464	17.9
115.04057	0.5
117.03463	1.7
119.03510	2.8
119.05054	0.6
124.01691	0.7
125.02477	3.7
129.01962	1.3
135.02986	0.6
135.04568	0.8
137.02460	0.7
141.01970	0.7
143.03494	3.1
149.02458	0.4
159.03014	2.5
161.02478	0.8
161.04578	10.0
161.05910	0.7
163.04080	0.4
165.01878	0.4
167.03542	0.8
175.03992	0.5
177.05475	0.4
179.03511	0.5
179.05644	0.3
189.02022	0.5
190.02371	0.4
191.01990	0.7
191.03529	0.6
204.04204	0.5
207.03017	0.9
219.02853	0.4
223.09741	1.0
250.04312	0.4
268.03940	0.5
269.04605	2.7
281.04434	0.4
283.05948	1.8
284.06409	1.6
285.06808	1.2
295.06027	0.9
296.06613	1.1
297.07446	2.4
298.08112	1.8
299.08224	1.9
309.07196	0.5
310.04651	0.4
311.05615	1.4
312.06003	1.3
313.06277	1.1
323.05557	1.3
324.05969	1.1
325.06595	1.1
326.07465	1.1
327.07730	1.2
328.05753	0.5
341.06119	0.8
351.05176	0.8
353.06616	3.7
354.07211	3.1
355.07266	5.0
355.21271	1.7
365.06223	0.7
367.07758	0.7
369.05829	1.7
370.06546	1.4
371.06702	2.7
373.22339	4.6
382.06161	0.7
383.07220	0.8
384.08170	1.4
385.08432	2.2
395.11346	1.3
397.08954	0.7
400.07867	0.7
401.07794	1.8
411.10626	0.8
425.12650	0.5
439.09933	0.8
457.10706	1.6
469.24512	1.0
473.10526	1.3
474.11179	1.0
475.11398	4.9
476.11771	0.4
481.24454	0.7
487.12564	0.4
487.25620	0.9
489.09869	1.1
490.10889	1.1
491.11011	7.0
515.15656	1.2
517.26587	80.4
518.26886	7.7
533.09186	0.4
533.20184	1.8
535.27643	34.6
536.28125	2.7
559.14612	2.7
577.14813	34.5
577.29260	1.9
578.14990	2.7
578.29932	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92745	0.3
56.37549	0.4
59.01379	0.7
61.86390	0.4
63.96248	1.2
69.03461	0.5
69.36034	3.3
71.01390	7.6
72.99306	0.5
73.02956	1.6
74.96225	0.4
78.98598	5.2
79.95748	11.1
80.96526	68.1
81.03485	0.7
83.01418	0.7
85.02956	2.8
87.00900	3.1
94.98100	16.1
96.96014	1.5
97.02968	1.3
99.00916	0.7
99.96505	0.5
101.02466	2.1
106.98099	4.3
107.01421	0.6
119.05038	0.5
122.97595	3.6
125.02455	2.5
127.04032	1.0
134.97600	4.9
136.99136	1.3
146.15082	0.4
146.97578	0.4
148.99158	6.7
151.00397	1.2
152.98640	4.7
164.98647	10.7
167.00253	0.4
184.48691	0.4
206.99663	1.8
225.00761	13.5
255.17639	0.5
273.46259	0.5
277.21774	1.5
279.23318	0.5
299.04324	3.0
407.18500	0.9
577.26904	100.0
578.27118	10.9
580.99902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31382	1.8
54.41479	1.8
57.03453	12.3
59.01392	29.5
69.17184	1.8
69.17661	1.7
70.67988	4.8
71.01379	5.5
81.03458	2.5
83.01399	5.0
85.02940	3.7
85.33132	2.2
89.02430	3.1
96.95995	7.4
97.02938	3.4
101.02444	2.5
106.39879	1.9
108.02270	2.1
109.02966	17.2
113.02449	3.3
113.76114	1.6
121.02982	4.1
122.03735	2.3
123.04530	16.3
125.02459	88.4
126.02763	2.8
132.02168	7.1
133.02959	5.2
134.03772	36.2
137.02443	19.8
139.04086	2.9
147.04549	3.3
149.02452	5.5
149.06088	11.6
151.04039	14.3
155.96689	2.4
156.69740	2.1
159.04510	3.3
160.01685	50.0
161.02458	23.5
163.00296	3.7
163.04030	3.3
164.01202	2.6
165.01941	4.1
175.04018	82.7
176.04594	2.8
177.01944	6.7
178.02773	11.2
179.03467	3.0
187.03989	6.3
188.04684	3.2
191.07205	5.0
193.05074	100.0
194.05455	2.6
201.05563	3.2
203.03323	2.2
203.07104	6.1
205.01265	2.0
205.05054	6.4
217.05006	8.6
227.07133	2.5
229.05104	2.3
235.06125	18.3
245.04620	2.7
245.08255	10.6
255.02913	7.9
256.03680	3.6
265.07196	2.4
269.04303	2.8
273.03979	4.0
281.04593	3.7
285.04120	2.3
287.05606	8.9
288.02667	2.3
289.07193	58.6
290.07550	2.4
295.08206	7.8
299.05560	6.6
305.06509	3.1
323.15063	2.2
339.08813	3.4
355.10373	67.5
356.10477	3.0
407.07700	52.2
408.08038	5.0
425.08838	18.1
451.10226	11.1
577.13348	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	577.157
Annotation	Isoswertisin 2''-O-xyloside
Peak:m/z	Relative Intensity
55.01874	2.3
57.03452	12.1
59.01388	11.7
61.98835	0.7
68.99564	0.6
69.42382	1.0
69.42790	3.4
70.82555	0.6
71.01385	7.4
72.99314	0.9
73.02940	1.2
73.25223	0.6
75.00879	2.1
83.01395	2.0
84.02172	2.5
85.02959	100.0
86.03299	1.4
87.00894	2.4
89.02429	2.5
95.01405	0.9
95.07640	0.5
96.96034	2.5
99.00891	1.1
101.02460	2.1
103.00392	1.8
111.00884	1.3
112.98585	0.8
113.02455	2.6
115.07674	3.0
118.76704	0.5
120.08777	0.5
125.02479	0.6
127.86482	0.6
129.01950	6.4
132.02177	1.2
133.01440	0.7
134.03722	1.2
135.04515	3.7
147.01859	0.7
147.03020	10.7
161.02548	0.7
167.03537	0.8
173.00914	1.7
179.03516	2.1
191.01996	61.2
192.02248	1.1
200.91914	0.6
201.11392	1.2
209.03044	20.8
223.09927	1.1
237.05457	0.8
238.06410	1.1
239.03514	0.9
245.08720	0.7
249.06140	0.8
253.05113	2.0
254.05847	1.4
267.07346	0.9
268.03879	1.2
280.03824	0.7
281.04611	4.6
282.05359	22.6
283.05881	3.1
293.04712	1.0
294.05331	1.3
295.06226	1.7
296.06873	1.1
297.07666	5.6
309.07584	0.9
310.04797	8.3
311.05283	0.9
322.04736	1.5
323.05722	1.3
325.07193	48.5
326.07510	2.8
327.21710	1.6
328.05963	0.9
337.07178	2.8
340.05850	0.8
353.05450	1.7
353.12360	1.3
355.08261	13.6
355.24957	0.7
356.08603	0.9
373.32141	0.5
376.28015	0.6
397.11377	3.9
409.09146	0.9
415.12457	20.4
416.12689	1.1
517.30261	1.3
533.20258	0.7
547.53784	0.6
576.70740	0.6
577.15704	24.1
577.28406	4.8
578.16016	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.9
57.03456	11.8
58.00595	0.7
59.01386	17.1
61.98829	4.4
65.03928	0.5
65.90430	0.4
67.01907	0.6
67.42014	0.5
68.99843	0.7
69.30468	1.7
69.30895	2.3
71.01390	11.6
72.99326	1.8
73.02953	2.9
75.00887	5.8
78.95903	0.9
83.01400	2.4
83.05055	0.6
84.02170	2.1
85.02961	100.0
86.03294	1.1
87.00881	4.4
89.02470	3.1
95.01397	1.6
96.96030	3.2
99.00888	3.2
101.02459	3.7
103.00368	1.7
106.14238	0.5
109.02943	1.7
111.00893	2.2
113.02462	7.6
115.00400	0.8
117.01911	0.6
119.03540	0.6
119.04993	0.5
122.02486	0.6
125.02416	1.1
125.06062	0.7
129.01950	7.2
135.04535	3.6
137.02434	0.7
147.03024	10.5
153.01950	3.1
153.02951	0.6
161.02478	0.6
161.04623	0.7
165.05426	0.6
165.09282	0.6
171.10167	0.9
173.00838	1.3
175.02475	0.6
179.03438	1.6
179.10713	1.4
191.01991	53.9
192.02301	1.1
202.88629	0.5
209.03050	14.4
209.08022	0.7
209.11714	0.6
211.13297	1.3
223.09660	0.9
225.14955	0.5
234.83159	0.6
249.06178	2.6
265.17932	0.9
267.07214	2.9
293.04333	1.2
311.05563	0.6
320.09140	0.5
327.21802	4.5
353.05011	0.9
355.24582	1.3
373.12891	0.6
373.25543	1.4
397.11526	3.6
413.08282	0.6
415.12476	23.1
416.12280	2.0
517.29352	1.5
533.20471	1.8
533.29004	0.5
539.33630	1.3
577.14233	2.2
577.28168	24.1
578.28479	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.0
69.47326	4.9
71.01382	1.4
79.56523	0.8
85.02962	0.8
86.70405	0.6
89.02419	0.8
93.03484	1.0
97.84952	0.7
98.20584	1.6
101.02441	1.2
113.10031	0.6
117.03472	5.3
119.05029	1.2
135.04524	2.5
145.02962	1.1
147.04462	1.0
149.02458	0.7
159.04451	0.8
161.02444	2.8
163.04042	1.5
175.04066	1.7
177.01965	1.4
177.05533	1.5
189.01991	0.9
191.03584	1.2
203.03603	1.6
215.03549	1.1
221.04532	0.8
253.08682	0.8
255.03000	2.8
267.06683	0.8
268.07532	0.7
282.05307	2.4
283.02493	5.5
283.06125	4.0
285.04150	5.7
286.04520	0.8
295.06137	4.5
296.06949	2.0
297.07709	20.1
298.08118	1.3
307.06119	0.8
309.07532	1.6
311.05585	3.2
312.06143	0.8
321.04370	0.8
323.05676	4.6
324.06284	1.2
325.07193	9.4
328.05948	2.6
335.05585	2.1
337.07147	2.4
349.87186	0.8
353.06686	39.3
354.07001	3.4
355.07788	1.7
356.05118	1.0
365.06564	4.5
383.07770	21.2
384.07962	0.9
395.07755	2.5
413.08725	2.0
430.08936	1.6
431.09933	4.5
457.11426	14.0
458.11829	1.5
460.77625	0.7
469.11404	0.9
473.10941	2.0
487.12579	6.0
517.26843	0.9
559.13849	1.3
577.15601	100.0
578.15875	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	577.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.0
69.47326	4.9
71.01382	1.4
79.56523	0.8
85.02962	0.8
86.70405	0.6
89.02419	0.8
93.03484	1.0
97.84952	0.7
98.20584	1.6
101.02441	1.2
113.10031	0.6
117.03472	5.3
119.05029	1.2
135.04524	2.5
145.02962	1.1
147.04462	1.0
149.02458	0.7
159.04451	0.8
161.02444	2.8
163.04042	1.5
175.04066	1.7
177.01965	1.4
177.05533	1.5
189.01991	0.9
191.03584	1.2
203.03603	1.6
215.03549	1.1
221.04532	0.8
253.08682	0.8
255.03000	2.8
267.06683	0.8
268.07532	0.7
282.05307	2.4
283.02493	5.5
283.06125	4.0
285.04150	5.7
286.04520	0.8
295.06137	4.5
296.06949	2.0
297.07709	20.1
298.08118	1.3
307.06119	0.8
309.07532	1.6
311.05585	3.2
312.06143	0.8
321.04370	0.8
323.05676	4.6
324.06284	1.2
325.07193	9.4
328.05948	2.6
335.05585	2.1
337.07147	2.4
349.87186	0.8
353.06686	39.3
354.07001	3.4
355.07788	1.7
356.05118	1.0
365.06564	4.5
383.07770	21.2
384.07962	0.9
395.07755	2.5
413.08725	2.0
430.08936	1.6
431.09933	4.5
457.11426	14.0
458.11829	1.5
460.77625	0.7
469.11404	0.9
473.10941	2.0
487.12579	6.0
517.26843	0.9
559.13849	1.3
577.15601	100.0
578.15875	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	577.1571
Annotation	Eriosemaside C
Peak:m/z	Relative Intensity
52.56625	0.2
55.01859	0.2
57.03450	0.4
59.01392	2.4
59.85602	0.2
61.98831	0.8
64.02377	0.2
69.18473	1.5
71.01388	1.5
72.99312	0.2
73.02950	0.3
75.00872	0.6
81.03493	0.2
83.01388	0.3
85.02959	3.0
87.00898	0.2
89.02451	0.7
95.01398	0.3
96.96011	2.0
96.96970	0.3
99.00906	0.5
101.02442	1.0
113.02462	0.8
125.02445	0.2
129.01947	0.7
132.02159	1.4
134.03726	0.3
135.00874	0.7
147.03032	0.2
151.00400	0.3
179.03430	0.2
184.05371	0.2
191.02028	1.2
195.04494	0.3
196.05325	0.5
202.14626	0.2
211.04019	1.7
212.04692	0.9
223.04037	1.2
224.04788	1.4
226.02702	0.8
239.03503	4.7
240.04265	1.9
267.02994	6.0
268.03790	51.8
269.04123	2.8
283.06140	100.0
284.06470	5.7
300.52927	0.2
355.24692	0.3
415.22888	0.8
457.10117	0.2
507.90173	0.2
517.30157	0.3
533.22253	0.7
533.48975	0.2
577.15118	0.2
577.32483	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	577.1569
Annotation	Swertisin 2''-O-xyloside
Peak:m/z	Relative Intensity
59.01376	2.4
70.53616	1.0
70.53988	1.2
71.01382	1.1
79.01892	0.7
79.05465	0.5
85.02964	2.9
93.03461	2.2
95.01418	0.7
101.02415	0.8
107.01385	0.6
115.05473	0.6
117.03501	5.0
119.05037	1.2
133.06577	0.8
135.04512	2.3
149.02452	1.3
155.72015	0.5
157.90808	0.5
161.02478	1.5
161.06123	0.5
163.04047	1.4
173.06082	0.6
175.04041	1.2
177.05563	1.4
185.02556	0.6
189.01962	1.2
191.02011	1.7
191.03534	1.2
203.03568	1.5
209.03021	0.6
213.99472	0.6
221.04614	0.9
251.07146	0.8
267.06516	1.0
268.07321	0.8
279.06589	0.7
281.04568	1.2
281.08121	1.9
282.05350	1.9
283.06107	3.2
295.06104	5.0
296.06900	2.8
297.07715	17.8
298.08035	1.5
307.06158	2.0
309.07620	2.2
310.08252	0.6
311.05597	2.7
323.05634	3.6
324.06531	1.4
325.07184	8.5
328.05905	3.1
328.19919	0.6
335.05743	1.3
337.07205	5.6
341.06555	0.6
353.06699	34.0
354.07043	2.3
355.08069	1.6
356.05356	1.2
365.06726	4.3
366.06915	0.6
367.08310	1.2
383.07764	22.0
384.08261	1.7
395.07599	3.3
399.88004	0.5
413.08777	2.3
421.09283	1.0
439.10416	2.2
457.11441	9.8
458.12100	0.8
473.10898	8.0
474.11188	0.7
487.12277	1.2
503.11990	3.4
517.26770	0.8
534.75659	0.5
559.14252	2.1
577.15668	100.0
578.16010	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	577.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	14.8
60.80246	0.9
81.03484	3.2
83.01420	4.5
86.75824	0.9
93.03475	1.4
95.01447	1.0
95.05029	2.5
97.02957	4.2
97.95986	0.9
98.19957	2.6
101.56914	0.9
101.88844	1.0
102.79033	0.8
105.03526	0.8
107.05048	1.7
108.19708	0.9
109.02960	22.5
121.02949	3.1
122.03756	2.2
123.04520	15.3
125.02460	100.0
126.02824	2.3
133.02982	4.4
135.04526	2.1
137.02469	21.1
139.04025	3.8
145.02992	1.3
149.02455	6.8
150.03203	1.0
151.04012	12.2
159.04530	3.3
160.05351	1.2
161.02472	26.8
161.06160	5.3
162.03218	3.0
163.00340	2.3
163.04030	4.4
164.01157	5.3
165.01918	4.0
167.03505	1.5
175.04013	11.0
175.07648	1.6
177.01985	5.4
178.81062	1.0
179.03546	4.2
185.06082	1.7
187.04012	7.9
188.04819	3.0
189.05539	1.1
199.04100	1.3
201.05606	1.5
202.06299	1.3
203.03697	0.9
203.07140	9.1
205.01442	3.3
205.05121	8.0
211.04028	1.7
213.05547	1.7
221.08163	1.8
227.03598	1.4
227.07066	1.6
228.04370	1.5
229.05034	3.4
231.03047	1.9
243.02983	3.3
243.06781	1.6
245.04539	3.8
245.08191	12.2
247.06207	1.6
255.03036	8.0
255.07053	1.2
256.03787	4.5
257.04691	1.8
269.04565	3.0
273.04065	4.0
281.04532	3.1
283.02582	2.5
284.03479	1.0
285.03958	1.5
287.05719	7.8
288.02716	1.1
289.07199	69.2
290.07483	4.2
297.04352	1.3
299.05630	5.8
314.81998	1.0
329.06616	1.5
339.08728	2.8
381.09735	3.1
407.07736	54.9
408.08032	5.5
425.08813	14.5
426.09195	1.4
451.10321	12.3
559.12408	1.7
577.13824	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	576.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.7
59.41548	0.2
61.98837	100.0
65.20335	0.2
66.00700	0.2
71.01392	0.8
73.02965	0.4
78.98618	0.7
79.95760	1.3
80.96527	7.8
85.02954	0.4
87.00873	0.4
94.98108	1.9
97.03005	0.3
101.02482	0.4
105.84536	0.2
106.98124	0.4
110.33577	0.2
112.50941	0.3
122.97626	0.8
125.02514	0.3
134.97624	0.4
148.99168	0.6
152.98689	1.0
164.98622	1.3
198.69124	0.3
207.79807	0.3
225.00786	2.0
243.01805	0.3
277.21890	1.2
278.22079	2.2
279.22495	1.1
280.22748	0.5
377.09363	0.3
577.26929	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	576.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.8
61.98838	100.0
69.75726	1.3
71.01398	0.3
72.21289	0.3
80.96539	1.3
93.21769	0.3
94.98096	0.3
98.20667	0.3
110.16911	0.3
124.11893	0.3
134.93074	0.3
142.78130	0.3
225.00731	0.7
277.21713	1.4
278.22107	1.7
279.22537	0.9
280.22711	0.8
287.16666	1.4
288.16934	1.3
459.00137	0.3
462.66769	0.3
480.78491	0.4
577.26691	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62667	0.3
54.21456	0.3
59.01385	18.0
60.58740	0.2
61.98831	0.4
71.01421	0.3
78.95908	8.4
83.05028	0.4
95.11896	0.3
100.69491	0.3
107.40931	0.2
112.71243	0.3
118.53433	0.3
152.99641	1.3
168.04327	1.4
179.52464	0.3
205.19734	0.3
224.06927	1.2
233.23003	0.3
242.08034	3.5
246.03128	0.3
259.20563	0.5
277.21735	100.0
278.22064	6.0
444.55542	0.3
502.29449	30.8
503.29681	2.2
517.25446	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35480	0.4
51.89234	0.4
59.01387	26.8
65.05370	0.4
65.69541	0.4
69.51108	2.7
71.01382	0.7
75.80350	0.5
78.95914	26.8
94.07204	0.4
96.96996	0.5
103.53957	0.5
122.98524	0.6
134.80553	0.4
152.99608	4.9
155.57747	0.5
168.04367	4.2
209.17191	0.6
224.06952	11.0
233.22812	0.6
242.08069	2.7
259.20718	0.4
275.20096	0.8
277.21750	100.0
278.22049	5.1
483.83780	0.5
502.29468	73.2
503.29797	5.8
507.15991	0.5
576.15643	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	15.5
59.60654	1.0
59.60955	0.9
63.40697	1.0
78.99411	0.9
81.03457	2.6
83.01398	4.3
93.03476	1.8
95.05048	2.5
97.02959	3.5
98.19919	3.4
107.05053	1.7
109.02959	17.0
121.02965	3.4
122.03770	1.8
123.04542	13.9
125.02464	100.0
126.02800	2.7
133.02945	3.5
135.04514	2.8
137.02452	18.6
138.27780	0.9
139.04048	2.6
145.03009	1.7
147.04501	1.1
149.02451	4.4
149.06110	1.0
151.04036	15.3
159.04518	3.1
160.05386	1.5
161.02464	25.7
161.06068	3.3
162.03195	2.3
163.00409	2.3
163.04062	3.2
164.01190	4.1
165.01901	4.4
175.04044	11.0
175.07559	1.6
177.01935	5.5
178.02649	1.2
179.03491	4.2
185.06032	2.1
187.03989	6.8
188.04822	3.3
201.05560	3.0
202.06316	1.6
203.03503	1.2
203.07109	10.2
205.01521	2.2
205.05087	7.3
211.04015	2.4
213.05589	1.4
215.03505	1.9
216.86665	0.9
217.05037	2.0
221.08165	2.6
227.03503	1.9
227.07193	2.3
228.04155	1.1
229.05099	3.5
231.02917	1.4
241.04990	1.1
243.03069	2.1
243.06827	0.9
245.04501	5.4
245.08221	10.8
247.05972	1.3
253.05229	1.2
255.03073	7.5
256.03665	5.2
257.04547	2.4
269.04605	2.3
273.04044	4.3
281.04608	3.4
283.02472	1.5
285.04025	3.4
287.05612	7.4
289.07211	65.8
290.07584	3.2
299.05658	6.4
329.06644	2.1
339.08728	4.6
381.09897	2.8
407.07745	64.2
408.08057	5.1
425.08789	20.0
426.09152	1.9
451.10382	14.9
577.13586	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	576.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.5
60.49663	1.0
65.00331	1.7
66.26643	1.1
67.01935	1.1
68.99815	3.6
69.25775	10.1
83.01384	2.3
91.01892	4.3
95.01370	1.2
104.18084	1.3
110.00103	7.4
119.05003	1.7
123.00881	3.6
123.43463	1.1
124.01678	2.1
132.05876	2.0
133.06604	3.8
135.08182	1.9
136.01636	1.5
136.98805	1.9
137.02446	1.4
137.99605	9.5
149.02412	1.4
151.00366	5.1
152.01192	6.4
157.06631	1.7
163.00397	9.1
163.04030	11.1
163.07562	1.6
165.01962	4.1
177.01903	1.2
177.05595	6.1
178.06319	9.2
178.99849	1.7
179.07114	3.0
182.05991	1.3
187.11320	11.8
190.99902	3.6
191.03552	7.0
191.07150	6.3
192.07899	2.7
205.01266	2.2
205.05074	9.7
206.05875	6.8
207.06668	14.4
208.07237	1.5
219.03105	1.4
219.06642	10.2
220.07402	8.4
221.08141	3.8
229.51314	1.1
233.04602	1.9
234.05357	29.5
235.06120	32.6
236.06425	2.5
247.06142	2.5
248.06958	22.5
249.07332	1.4
250.08517	1.2
261.07452	1.2
277.21753	11.2
347.76819	1.2
358.33859	1.3
379.11856	3.0
394.17764	1.6
404.16364	1.4
420.82831	1.4
422.17392	100.0
423.17749	9.9
491.24435	96.8
492.24780	11.6
507.15167	17.3
508.15744	1.3
576.30560	2.5
577.42316	4.6
604.59485	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	11.3
62.58744	0.7
71.01389	2.5
71.54375	0.8
71.54750	0.7
73.02944	1.1
78.95914	0.8
89.02417	1.6
95.92108	0.6
101.02437	2.4
112.13374	0.6
113.02480	1.4
146.32889	0.6
161.04572	1.6
178.09087	0.6
204.29440	0.7
226.56606	0.6
235.08197	1.3
253.09312	14.4
261.72983	0.9
279.23309	100.0
280.23694	5.7
396.25763	0.7
406.17685	1.0
451.00873	0.7
536.36591	0.7
575.14069	1.4
575.29669	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	16.7
60.57038	0.5
70.76447	1.4
71.01386	2.1
73.02939	0.7
76.36314	0.5
83.01387	0.6
86.56239	0.5
89.02446	2.2
99.66144	0.5
101.02438	2.8
113.02441	1.4
119.05057	0.7
161.04549	1.3
235.08250	1.0
253.09329	13.5
279.23312	100.0
280.23703	5.8
336.26218	0.6
575.30005	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53960	0.5
57.03452	1.7
59.01377	2.6
60.58990	0.6
69.36521	1.3
69.36929	3.2
71.01387	1.3
73.02948	1.3
83.01380	0.7
85.02964	3.2
109.02946	1.3
117.19668	0.6
120.01266	100.0
121.01644	0.7
122.27882	0.6
123.04491	1.1
125.02464	9.3
133.03035	0.8
137.02467	1.5
151.04005	1.0
159.60793	0.5
161.02441	2.5
165.44096	0.8
175.04022	1.1
191.02017	1.6
203.07201	0.7
209.03001	0.7
243.03058	0.8
245.04601	0.7
247.68692	0.6
267.51431	0.6
271.05914	0.7
287.05478	0.7
289.07333	3.8
299.05856	0.7
407.07675	2.4
425.08643	1.2
576.14880	1.2
577.12219	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	575.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51714	4.8
71.01389	1.4
77.34656	0.8
79.67838	0.8
79.89977	0.9
84.65024	0.9
90.72689	0.9
93.03509	1.9
94.97413	1.0
117.03467	6.9
119.05034	1.9
135.04530	3.0
147.04619	1.2
149.02432	2.6
151.04002	1.1
159.75328	0.9
161.02431	3.9
163.03998	1.8
165.02049	1.3
175.03987	1.7
177.01862	1.5
177.05617	2.4
179.03481	2.1
187.04108	1.6
189.01906	2.0
189.05693	1.1
191.03526	1.8
203.03494	1.8
207.02991	3.3
207.08104	1.5
231.03023	1.2
249.04103	1.8
251.07300	1.9
267.06638	1.4
269.04568	1.8
279.25198	0.9
281.04514	3.0
282.05243	2.6
283.06168	13.1
295.06128	10.8
296.06891	3.1
297.04361	1.9
297.07706	18.7
298.07898	1.2
307.06223	3.2
308.03281	1.3
309.04230	1.4
309.07785	1.1
311.05646	10.4
314.04361	1.1
323.05652	10.7
324.06097	1.8
325.07269	11.2
328.05927	3.6
335.05646	2.6
337.07327	2.0
339.05103	3.6
341.06744	4.5
351.05032	8.2
353.06696	36.9
354.06967	2.6
355.08121	1.2
356.05179	1.2
363.05093	2.2
365.06683	4.2
367.04636	2.6
369.06177	24.0
370.06546	1.1
381.06235	4.2
383.07736	16.8
395.07822	1.3
399.07141	11.8
411.07697	1.2
431.09903	1.6
455.09760	4.6
471.09320	1.9
473.10928	21.6
474.11258	1.6
487.08908	4.8
488.09241	1.5
489.03662	2.0
489.10370	27.5
490.10797	1.8
575.14081	100.0
576.14490	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02335	0.7
59.01371	2.4
63.84285	0.7
69.18594	6.3
69.19008	1.9
71.01394	1.4
77.03981	0.7
85.02969	1.6
89.02441	1.6
93.03448	2.0
98.65414	0.9
102.92578	0.7
112.99209	0.6
117.03468	7.8
119.05006	1.4
135.04535	2.5
136.11575	0.7
149.02437	0.9
159.04543	0.8
161.02449	5.0
163.04005	1.5
165.01823	1.1
173.02512	0.9
175.04008	1.7
177.01970	2.5
177.05511	0.9
179.03404	1.1
189.01926	3.0
191.03531	1.4
197.06197	1.1
197.63629	0.7
201.01942	1.2
203.03441	1.8
207.02995	1.7
223.07639	1.1
231.03008	1.9
237.05864	0.7
239.07158	1.1
251.06912	1.1
261.04068	0.7
267.06732	2.3
267.52017	0.8
268.07449	1.1
272.83057	0.8
279.06723	0.9
281.04611	1.9
282.05298	2.2
283.06171	11.5
293.04568	1.2
295.06155	9.5
296.06918	2.9
297.04437	1.5
297.07721	16.5
307.06076	4.8
309.04376	1.2
309.07764	2.1
310.43088	0.9
311.05673	12.0
314.04428	0.8
321.04218	1.2
321.07712	0.8
323.05597	11.1
324.06311	2.0
325.07187	7.3
328.05862	2.6
335.05612	1.3
337.03616	1.0
337.06937	3.7
339.05148	3.9
341.06693	2.8
348.06754	0.8
349.07263	1.3
351.05154	11.3
353.06699	26.3
354.07230	1.5
356.05237	1.7
363.05200	2.7
365.06656	3.7
369.06204	10.5
381.06155	4.2
383.07803	7.7
384.27628	0.7
393.06430	1.0
395.07880	0.9
399.07364	2.7
411.07272	1.6
419.07666	0.9
428.48114	0.8
431.09680	1.5
437.08908	2.2
455.09891	5.3
459.09406	5.5
471.09387	8.0
472.09918	2.1
473.10928	14.3
474.11435	1.5
483.09503	1.5
489.10535	12.8
490.10913	1.3
501.10458	1.9
503.12280	1.4
513.10522	0.8
531.11456	2.4
557.13110	10.0
575.14111	100.0
576.14471	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	575.141
Annotation	Maysin
Peak:m/z	Relative Intensity
51.80615	0.6
58.51546	0.6
59.10410	0.6
69.63815	2.7
69.64222	1.3
71.01387	2.0
79.01891	1.2
93.03465	2.5
95.01435	0.8
100.75401	0.6
117.03475	11.4
118.86774	0.6
119.05035	2.1
121.02949	1.1
131.05002	0.8
133.06569	0.6
134.03821	0.7
135.04535	4.2
136.01756	0.7
145.02974	1.0
147.04514	1.0
149.02493	1.5
151.04054	0.9
158.68503	0.8
159.04524	1.4
161.02487	5.1
163.04019	1.7
165.01941	1.5
175.04037	2.5
176.25858	0.6
177.01944	3.0
177.05563	2.0
179.03491	2.2
189.01965	2.9
191.03525	2.9
197.06114	1.2
201.01892	0.7
203.03532	2.2
205.01416	0.8
205.05020	1.4
207.02924	3.1
217.01530	0.9
219.02953	1.4
231.02986	1.1
238.06357	1.3
239.07111	2.0
249.03836	1.4
250.06439	0.9
251.07150	2.8
265.05002	0.8
267.06650	2.7
268.07422	1.3
269.04584	1.8
277.05072	1.0
281.04553	3.0
282.05328	2.4
283.06171	17.1
293.04626	1.7
294.05328	0.8
295.06122	11.9
296.06815	3.0
297.07687	24.5
298.08221	1.1
307.06134	3.7
309.04382	0.9
309.07639	2.9
311.05667	11.3
314.04398	0.9
321.04108	0.9
322.04782	1.6
323.05579	9.8
324.06201	1.1
325.07205	7.9
326.04074	0.8
328.05807	3.6
335.05566	1.6
337.07193	3.0
339.05090	2.1
341.06668	2.8
351.05084	6.0
353.06693	31.2
354.07126	1.8
355.08243	0.8
356.05472	0.9
363.05219	1.1
365.06436	3.2
367.04562	2.1
369.06149	16.7
381.06131	3.6
383.07785	11.0
395.07703	1.2
397.05609	1.1
399.07260	7.4
400.07635	0.7
411.07114	1.1
413.08899	1.1
455.09714	4.2
471.09320	1.9
472.09644	1.3
473.10910	22.4
473.17477	1.4
474.11108	2.2
485.10867	1.5
487.08862	3.7
489.10440	29.1
490.10684	2.6
557.12958	1.6
575.14099	100.0
576.14380	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	575.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46639	1.1
63.85948	1.3
65.84693	1.2
69.24651	10.5
69.25052	2.6
85.02943	1.6
90.88894	1.1
93.03449	2.3
98.20670	2.9
114.54146	1.5
117.03458	11.5
125.07854	1.1
135.04556	2.8
137.02496	1.6
151.04073	1.2
159.04504	2.3
161.02434	4.6
163.04019	2.0
165.01862	1.4
165.83064	1.7
175.04004	3.5
177.02007	2.2
177.05611	2.1
185.69141	1.7
189.01982	3.8
191.03485	1.8
201.01949	1.4
203.03532	5.2
207.02974	4.0
219.02972	2.8
223.07625	2.0
231.03093	2.3
237.05719	1.8
245.00963	1.3
251.07127	3.0
267.06592	2.8
269.04739	2.0
275.05609	4.4
279.06732	3.4
281.04495	4.0
282.05438	4.4
282.82184	1.4
283.06149	18.2
293.04486	3.3
294.05206	1.9
295.06110	13.5
296.06830	3.2
297.07739	14.1
307.06110	10.0
308.03357	1.8
308.06851	1.9
309.04230	1.9
309.07736	4.4
311.05649	20.5
314.04358	1.8
321.04172	2.0
321.07681	2.8
322.04874	3.0
323.05585	17.5
324.06076	2.0
325.07291	7.2
328.05908	1.9
335.05573	4.9
337.03586	1.8
337.07150	11.2
339.05103	13.9
339.08691	2.1
340.05716	1.9
341.06744	8.0
349.07187	4.0
351.05038	17.5
352.05154	1.6
353.06708	24.6
354.07343	2.5
355.08078	2.0
363.05206	3.4
365.06659	6.2
367.08273	3.6
369.06229	13.7
381.06137	10.7
383.07693	14.5
399.07263	3.3
411.07269	4.2
413.03540	1.3
413.08817	3.5
423.07349	1.8
427.10489	1.8
431.09784	4.7
437.08981	1.9
455.09561	2.8
457.11679	2.1
459.09354	25.1
471.09399	25.5
471.15921	2.3
472.09561	3.6
473.11047	20.2
483.09421	3.5
485.11084	5.4
489.10159	8.2
501.10403	16.7
503.11963	13.1
531.11334	13.0
532.12097	2.1
557.13062	21.0
558.13269	2.2
575.14117	100.0
576.14349	9.7
577.79865	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35196	0.1
58.42516	0.1
59.01383	0.4
61.98837	100.0
64.24406	0.2
65.61558	0.1
66.56335	0.2
68.78697	0.1
69.98933	0.7
76.40112	0.1
78.95920	0.4
142.51118	0.1
154.41866	0.2
209.11884	0.2
254.16216	0.1
575.14368	0.4
593.33026	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44145	0.6
67.95663	0.7
71.01389	0.6
73.02982	0.6
85.02956	0.8
89.02464	0.9
93.03477	1.8
96.07056	0.6
117.03487	5.7
119.05035	1.5
133.06680	0.7
135.04550	2.3
147.04526	0.7
149.02481	2.0
161.02434	3.9
163.03989	1.0
175.04034	2.2
177.01932	1.5
177.05666	1.1
189.01967	2.1
191.03590	1.2
200.20154	0.7
201.01990	0.6
203.03600	1.8
206.07191	0.6
207.03062	1.1
218.99879	0.7
231.03000	1.5
233.04596	0.8
251.07222	1.3
267.06696	1.3
268.07523	1.1
281.04602	1.5
282.05276	2.0
282.50162	0.6
283.06198	8.3
293.04526	0.8
295.06146	9.1
296.06839	2.8
297.07718	15.0
307.06210	5.2
308.03165	0.7
309.04309	0.7
309.07663	1.3
311.05655	12.7
312.06140	0.6
321.07718	1.0
322.04706	0.9
323.05609	9.7
324.06302	1.9
325.07181	6.8
328.06030	3.5
335.05688	2.7
337.07239	2.2
339.05154	2.9
341.06699	1.3
347.08853	0.7
349.07315	1.5
351.05099	11.3
352.05396	0.7
353.06711	37.2
354.07004	1.7
356.05304	2.1
363.05096	1.7
365.06613	2.2
369.06168	10.5
381.06177	2.6
383.07718	7.0
395.08148	1.2
399.07288	2.1
405.97760	0.7
409.09320	1.7
419.07733	1.8
437.08505	1.6
455.09885	5.7
471.09586	3.6
472.10254	3.4
473.10965	15.8
474.11389	0.8
487.09430	0.8
489.10403	12.9
501.10416	1.1
557.12994	7.0
575.14130	100.0
576.14465	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	573.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43023	0.8
57.03442	1.7
59.01388	100.0
65.25497	0.9
69.56940	5.5
71.05024	4.5
71.08560	0.9
72.08327	0.8
72.08758	1.0
72.50697	0.7
79.45259	1.0
83.05034	3.3
98.19942	0.9
99.04512	1.9
101.05463	1.5
101.06091	22.1
113.81883	0.7
119.05022	2.9
132.05806	0.9
133.06590	1.4
141.12836	2.4
155.14413	2.1
167.14395	1.1
169.15965	1.3
183.17529	1.2
185.15431	0.9
187.11263	3.6
195.17613	1.3
199.17050	1.2
225.18257	0.9
227.20151	2.7
241.18036	4.7
243.06613	2.9
243.19751	1.8
259.19125	3.5
269.21173	7.5
275.18628	2.5
285.20792	4.7
287.22238	9.1
301.20285	7.1
303.21826	11.3
304.21970	1.3
327.12491	1.0
329.23346	16.3
331.24875	4.4
351.15887	0.9
353.17563	2.7
377.13779	2.4
461.19937	4.1
487.24710	1.9
537.41425	1.0
555.42664	22.1
556.43011	2.5
573.32233	31.9
573.43695	67.2
574.32977	6.3
574.43860	8.3
578.86896	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.8
59.01386	100.0
60.01733	1.0
69.03465	0.5
69.62560	1.9
69.62966	1.1
71.05028	3.9
74.87671	0.5
81.03480	1.3
83.05048	2.3
85.02975	0.9
87.04549	0.8
99.04553	0.9
101.06095	15.3
107.05030	0.6
141.12878	2.2
141.80246	0.4
148.20401	0.5
155.14441	4.6
167.14435	1.3
169.16025	1.3
171.83647	0.6
187.11348	0.8
195.17546	1.1
197.19095	0.7
220.71461	0.5
222.64961	0.5
225.18704	0.8
227.20204	3.1
234.05327	1.7
235.06055	1.2
241.18146	1.8
243.19684	1.5
251.20125	0.6
259.19214	1.9
268.08847	0.5
269.21213	8.4
285.20721	3.7
287.22314	9.0
288.22522	0.8
301.20248	4.3
303.21808	12.5
304.22217	1.1
311.22385	1.0
313.23798	0.6
327.21680	0.6
329.23364	20.0
331.24915	1.6
345.22961	1.7
384.36044	0.5
422.17163	3.5
490.11356	0.5
491.24268	3.1
492.24478	0.7
494.41049	0.7
495.40701	0.9
537.41516	1.1
555.42706	20.3
556.43018	2.5
573.43744	60.8
574.43976	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	573.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02568	2.1
52.24189	2.4
57.03450	2.7
59.01387	100.0
65.17076	1.8
72.63589	1.9
76.30075	2.1
78.95929	4.3
79.03793	2.0
98.19765	3.6
109.32808	1.9
152.99588	4.0
157.08745	12.3
169.12210	3.6
193.24901	2.2
195.13893	19.5
197.11859	30.2
197.19112	11.2
213.14989	33.9
215.10950	3.6
215.12901	60.2
216.13300	2.2
239.12836	3.1
255.23305	14.8
256.23584	4.7
257.13959	42.1
257.23853	2.7
259.19113	2.1
275.15042	40.1
297.24307	5.7
304.77563	2.3
315.21933	4.0
315.25391	54.5
315.28961	2.6
316.25665	4.1
317.16040	8.3
357.26535	2.2
377.78561	2.4
555.39032	15.7
573.29718	11.0
573.39960	89.7
574.40179	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	573.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.5
59.01387	100.0
69.16850	3.6
69.17282	4.0
71.05051	4.3
75.68998	0.7
81.03464	1.4
82.06426	0.8
83.05040	1.8
85.31908	0.8
95.01373	0.8
95.30096	0.8
95.84554	0.8
99.04581	1.3
101.06087	12.7
101.79472	0.7
107.05019	1.3
107.81504	0.7
107.96874	0.7
118.77319	0.7
125.06152	1.3
134.04169	0.7
141.12897	2.1
150.35518	0.7
155.14427	4.0
195.17532	1.8
198.80554	0.7
205.36697	0.9
223.13614	0.9
225.18597	1.1
227.20197	2.8
233.16496	0.7
237.60777	0.9
243.19598	2.8
269.21194	6.7
285.20694	1.3
287.22205	8.3
301.20218	2.0
303.21841	6.4
304.22128	0.8
311.22418	1.4
329.23334	26.2
330.23621	1.4
368.12646	1.5
504.92682	0.9
537.41553	2.4
555.42694	32.0
556.43048	2.8
573.43750	74.1
574.44116	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	573.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68306	1.1
57.03426	1.2
59.01387	79.7
59.81795	1.0
65.00316	2.0
68.99815	4.5
71.05017	2.5
71.54038	2.2
74.21336	1.0
83.01399	1.8
85.02945	1.4
91.01897	5.1
92.35012	1.1
98.26436	1.3
101.06102	6.6
110.00094	4.9
117.92489	1.1
123.00916	3.0
124.01604	1.8
132.05743	2.1
133.06613	3.2
134.94907	1.3
136.01614	1.6
137.99585	6.4
139.00337	1.7
149.02446	2.5
151.00339	3.9
152.01158	5.4
155.14453	1.9
157.06560	1.5
163.00392	7.6
163.04033	9.2
164.04805	1.8
165.01828	1.7
169.16002	2.1
171.06709	1.4
177.05531	5.9
178.06378	6.0
178.99834	2.5
179.07095	1.5
185.04576	1.3
187.11288	10.0
190.99881	3.5
191.03459	6.3
191.07133	5.2
192.07875	4.0
205.01443	1.6
205.05032	8.1
206.05751	5.1
207.06644	12.7
216.04298	1.6
219.06680	8.7
220.07452	9.2
221.08179	5.4
227.20219	3.2
233.04549	2.1
234.05351	25.5
235.06122	30.4
248.06891	19.0
250.08318	1.8
255.48470	1.2
257.17609	3.0
259.19083	2.2
269.21173	5.3
275.18698	1.7
283.06360	1.6
285.20752	6.2
287.22278	10.1
301.20145	2.4
303.21655	6.8
315.25409	7.9
317.19629	1.4
329.23416	8.2
331.25122	1.9
345.22882	3.0
379.11816	2.9
394.17847	1.3
422.17374	81.3
423.17661	7.3
491.24432	100.0
492.24725	10.6
537.41522	2.0
555.42578	14.8
573.43738	42.6
574.44281	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	41.6
61.98841	5.8
69.33777	1.9
71.01375	3.2
71.53994	2.4
73.02961	1.8
75.02326	1.8
76.23116	1.5
80.99551	1.8
83.05033	3.6
85.24641	1.7
88.79681	1.8
89.02450	3.4
92.14146	1.8
107.99978	1.9
113.02480	2.3
117.38486	1.8
119.05099	2.6
125.02446	1.6
131.05235	1.7
171.10277	3.4
209.11845	100.0
210.12271	3.2
223.28502	1.8
227.12904	9.4
276.59268	1.8
277.31784	2.1
364.80237	2.6
423.09995	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	573.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.8
61.98842	0.5
71.01389	1.7
73.02952	0.4
78.95906	2.8
79.95748	3.6
85.02977	1.3
89.02432	0.5
96.96022	100.0
96.97012	3.0
98.95621	0.7
101.02437	0.9
101.40013	0.3
113.02473	0.7
114.93442	0.8
116.92937	0.7
119.05009	0.3
161.04628	0.5
206.38135	0.4
249.46190	0.4
279.15359	0.4
373.26102	1.3
375.27551	1.7
431.22626	2.0
473.15695	0.4
487.18610	1.1
537.32721	0.6
539.37012	0.4
573.29285	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35717	0.6
57.03449	2.2
58.98798	0.7
59.01387	10.5
61.98821	2.9
66.85400	0.7
69.39793	3.4
69.40221	2.4
71.01398	5.7
72.99326	1.1
73.02948	3.5
75.00868	1.7
78.95906	1.4
83.01423	1.0
85.02957	5.7
87.00866	1.8
88.98837	0.7
89.02454	1.9
96.96024	5.1
99.00879	1.8
101.02450	2.1
113.02444	2.6
117.03490	0.9
125.02428	1.1
129.02040	0.7
132.97586	0.7
150.53206	0.7
161.04539	0.9
167.03540	0.8
171.10266	2.5
265.80008	0.7
285.20810	1.1
313.23798	0.8
346.31058	0.6
349.07132	1.5
355.24951	0.8
371.24240	3.7
373.25961	100.0
374.26337	5.9
471.09064	1.0
475.41287	0.7
508.89148	0.7
511.24878	1.0
535.31158	1.1
553.09979	2.7
571.10309	5.4
571.29132	10.4
572.11121	1.0
572.28882	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99889	0.6
59.01379	1.6
64.89089	0.6
78.95913	57.2
85.21358	0.6
85.77584	0.6
96.96972	12.2
139.80927	0.7
150.98007	0.7
152.99602	52.6
153.99959	0.8
178.12239	0.8
223.00171	2.0
224.42445	0.6
241.01205	28.6
246.62874	0.7
255.23312	69.2
256.23746	3.4
288.15506	0.6
315.04868	10.0
343.95129	0.6
370.30249	0.7
391.22629	4.4
542.27454	0.7
571.28931	100.0
572.29199	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	571.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67522	0.6
55.85761	0.6
59.01358	0.6
61.54576	0.6
62.96423	0.7
68.14831	0.6
69.37754	4.5
77.41479	0.6
78.95914	64.4
92.30114	0.6
96.96971	13.7
100.44491	0.6
131.38742	0.6
134.98547	0.6
142.16875	0.5
150.98004	0.9
152.99609	55.8
153.99872	0.8
155.21158	0.6
223.00102	1.7
241.01218	30.8
255.23318	70.8
256.23611	3.6
259.02225	0.8
315.04904	9.8
316.49530	0.6
320.28784	0.6
346.17062	0.6
391.22586	6.3
397.06702	0.6
518.26270	0.7
571.28937	100.0
572.29279	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	571.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26839	3.0
59.01386	19.9
61.98832	8.3
70.10670	13.2
70.44025	3.1
71.01389	13.8
73.02959	8.2
85.02956	9.7
86.87946	3.0
89.02458	12.6
93.42706	3.4
96.96040	31.6
101.02451	11.1
113.02470	4.0
119.03500	3.4
121.02948	4.6
124.58284	3.3
148.22945	3.1
161.04709	10.9
205.03831	10.6
209.08076	4.0
323.19376	3.4
325.41122	3.7
345.10818	9.4
377.13580	5.3
385.09964	3.6
480.57083	4.1
523.19647	5.2
535.27368	27.9
540.16339	15.0
571.25037	100.0
572.25391	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	571.11
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
59.01388	4.6
61.07267	0.6
61.98818	3.3
70.71819	1.5
71.01374	2.2
73.02958	0.7
75.00889	0.9
78.95908	1.4
80.25955	0.7
85.02941	2.1
93.03473	2.0
96.96027	9.4
96.97012	0.8
98.20605	0.7
101.02446	1.3
113.02460	1.0
116.92856	1.1
117.03457	6.2
127.00381	1.0
137.02486	0.8
145.02945	1.2
149.02544	1.2
159.04408	0.7
161.02435	4.4
163.03940	0.9
171.04591	0.9
173.02371	0.9
175.03926	1.6
177.01981	1.5
185.02397	1.0
187.03922	1.7
188.01147	0.8
189.01953	4.4
189.03419	0.8
189.05493	0.8
201.01892	1.0
203.03459	3.0
205.01564	1.0
209.08080	1.0
215.03548	3.7
217.01462	0.9
231.03101	4.3
243.03046	1.5
251.07161	1.2
259.02582	1.8
259.14828	0.7
267.07010	1.2
268.07312	0.8
279.06595	1.1
281.04684	0.9
283.06119	2.7
293.04565	1.1
294.05411	0.9
295.06140	11.9
296.06696	1.1
297.07718	0.9
305.04657	1.0
305.08060	1.0
306.05502	0.8
307.06161	9.4
308.03278	1.2
309.04129	0.9
309.07501	1.0
311.05618	2.9
321.04404	1.4
321.07806	2.9
322.04694	1.5
323.05637	10.5
323.09009	1.4
324.06351	1.6
328.05890	1.6
333.07742	3.4
335.05502	3.2
337.07285	1.6
339.09003	1.1
348.05984	0.9
349.07257	9.3
350.04120	1.1
351.05148	19.1
351.09052	1.0
352.05402	1.3
353.06723	1.1
361.07126	6.2
363.04999	1.7
367.08450	1.5
373.26065	2.0
377.06693	17.5
379.08182	1.5
381.06229	1.5
395.07773	6.6
405.06165	14.6
406.06912	1.2
407.07684	1.8
423.07156	2.7
433.05688	1.4
443.09631	1.6
451.06854	4.8
469.11487	1.4
471.09375	21.4
472.09775	1.4
497.82773	0.7
515.11694	1.4
525.10608	8.9
543.11511	8.1
543.95734	0.8
553.01434	1.2
553.09937	18.5
571.10974	100.0
572.11096	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	570.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
61.98837	100.0
64.96276	0.2
68.32442	0.2
69.43404	0.5
69.43832	0.7
71.01403	0.5
85.02964	0.5
89.02467	0.2
93.36025	0.2
98.19897	0.2
101.02477	0.3
104.01560	0.2
113.02493	0.3
119.05107	0.2
123.46952	0.2
125.02477	0.2
128.03568	0.2
217.06712	0.4
296.30365	0.2
303.16187	0.4
315.35129	0.2
409.20370	0.3
549.69916	0.2
570.31738	0.4
571.11163	0.2
571.27490	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.3
59.01369	3.1
61.98824	1.0
70.17635	3.5
71.01387	2.3
73.02924	0.8
75.00877	1.0
77.44870	0.8
83.01321	1.1
85.02919	0.9
88.98808	1.2
90.55916	0.8
93.03461	1.1
96.96017	9.3
98.19978	0.9
101.02432	1.2
117.03468	9.0
117.07100	1.0
118.49157	0.7
120.20276	0.8
127.00406	1.2
133.03056	0.7
133.74785	0.8
149.02469	0.9
159.04515	1.8
161.02438	2.6
173.02316	1.3
173.06158	0.9
175.04030	2.7
176.01160	0.8
177.01939	1.8
181.01070	0.7
187.04034	0.9
189.01918	2.0
189.05562	1.7
191.03511	1.6
199.03973	1.3
201.02005	1.5
201.05603	1.7
203.03513	2.9
205.01489	1.2
215.03642	1.2
217.01389	1.2
217.05089	1.8
219.03171	1.0
227.03572	0.9
231.02962	1.9
233.04536	1.6
245.04544	2.1
251.07162	2.5
257.04514	1.1
261.04013	1.0
263.07257	1.3
266.05719	1.2
267.06693	1.5
268.07294	1.1
274.06238	0.9
276.07983	0.9
277.05170	1.5
277.08676	1.4
277.64389	0.8
278.05908	1.2
279.06537	1.4
281.04681	1.6
283.06082	3.1
293.04544	1.4
293.08054	1.3
294.05362	1.9
295.06134	7.8
296.06714	1.2
297.07712	1.5
305.04672	2.3
305.08008	1.1
306.05344	1.0
306.66177	1.0
307.06192	9.2
309.07703	3.2
311.05521	1.4
319.06079	3.2
320.07004	1.1
321.04160	1.4
321.07645	14.0
322.04840	2.5
323.05597	8.6
323.09235	2.0
328.05887	1.1
333.07791	1.9
335.05643	5.5
335.09210	1.4
337.07153	4.4
339.08508	1.1
341.06482	0.9
343.67957	0.9
347.05545	1.4
349.07187	49.9
350.07666	2.2
351.05121	12.5
351.08807	2.1
352.05737	1.7
353.06543	1.3
361.07016	3.9
363.05005	4.1
367.08316	1.4
370.54880	0.9
377.06622	11.3
379.08240	20.6
380.09073	1.1
381.06235	4.1
391.08270	2.2
395.07730	5.2
405.06262	2.9
407.07751	9.5
409.09326	1.2
423.07611	1.6
425.08792	3.7
433.05576	3.5
443.09869	4.0
451.06891	2.4
453.08038	1.7
463.06668	2.5
469.11514	14.4
470.11957	1.3
471.09326	20.9
472.09811	1.4
481.07693	1.2
493.49469	0.8
497.11111	6.2
515.12085	3.2
525.10516	6.7
527.11884	1.4
543.11493	9.9
553.09949	64.9
554.10187	5.1
571.10968	100.0
572.11292	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	569.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73655	0.3
55.12548	0.3
59.01379	0.5
66.58395	0.3
68.22951	0.3
71.01388	0.7
71.54058	0.4
75.00878	0.4
81.03457	2.7
83.01398	0.6
85.02956	0.9
95.05042	0.4
99.08193	0.3
99.92604	0.7
104.53931	0.4
113.02495	0.4
116.92883	5.8
121.02893	0.4
123.08167	1.0
125.02462	4.8
125.06100	2.7
129.01949	0.4
131.80952	0.3
141.09262	0.4
147.03026	0.4
147.08208	0.5
149.02440	1.3
150.03224	0.6
151.00362	0.6
151.04051	0.6
152.01186	0.4
165.01981	0.8
165.05534	1.2
165.09227	24.3
166.09587	0.8
167.07219	0.4
179.07053	0.4
180.04279	0.5
181.05067	0.3
191.07190	1.3
193.08833	0.4
195.06636	0.9
205.08644	0.7
209.08212	100.0
210.08476	3.7
215.07193	0.5
223.09779	1.8
225.07747	1.1
233.08206	17.5
234.08513	0.8
251.09273	7.3
263.09277	1.5
272.85535	0.4
289.62860	0.4
306.55911	0.3
311.11392	0.6
371.13495	69.1
372.13879	3.9
421.15192	0.5
451.16379	0.4
463.53738	0.3
533.18860	1.5
569.16278	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	569.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66684	1.3
55.00256	1.6
59.01388	100.0
61.98843	22.0
62.79094	1.3
71.01385	21.9
73.02959	5.2
74.04666	1.4
75.90074	1.4
83.01396	3.4
85.02964	6.3
89.02456	15.3
94.42493	1.7
96.96023	4.0
98.19840	3.0
101.02450	11.5
113.02458	19.9
119.03528	7.4
161.04578	4.5
179.05637	3.1
183.13858	3.2
227.12877	4.9
229.41208	2.1
370.32407	1.4
465.28729	16.7
483.29578	20.2
484.29483	2.5
525.31042	8.6
569.06744	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	567.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
71.54124	51.0
71.54498	100.0
79.46436	56.1
90.60439	47.0
120.37382	47.3
145.94762	60.8
165.44034	51.8
179.56766	75.7
268.03864	57.5
297.34995	50.5
378.49310	54.5
404.25513	61.5
475.20490	55.2
588.14667	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09771	2.2
55.01894	2.9
57.03455	4.9
59.01387	54.2
61.98833	100.0
65.48631	1.8
69.23277	19.5
71.01394	30.5
73.02960	10.0
76.65776	2.0
79.15556	2.2
83.01389	5.0
85.02957	23.0
89.02443	6.9
95.01401	2.5
96.96026	9.2
99.00888	4.4
101.02451	24.9
111.00916	3.2
113.02474	12.4
125.02451	2.7
129.01993	3.2
141.01712	4.8
159.03020	3.0
161.04536	6.0
178.60951	2.5
191.01935	2.3
345.30124	7.2
436.18268	3.3
507.35431	100.0
508.35721	11.1
509.19186	3.0
567.29553	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	568.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.2
61.98837	100.0
62.98532	0.2
71.01403	0.7
71.54723	0.3
74.72588	0.2
85.02976	0.6
89.02466	0.3
96.96025	0.9
101.02487	0.3
119.05074	0.8
129.09966	0.2
130.60266	0.2
407.18835	0.7
508.36014	0.7
569.07440	0.7
569.24103	0.7
569.31549	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97283	0.3
54.92651	0.3
57.03454	0.4
59.01389	3.8
59.84540	0.3
61.98838	100.0
71.01385	2.0
71.54520	0.5
75.00872	0.4
78.95902	0.5
83.01421	0.4
85.02959	2.3
85.59183	0.3
86.03302	0.4
86.17725	0.3
87.04536	1.2
89.02454	0.6
96.96041	0.8
101.02475	1.1
113.02490	0.7
114.30252	0.3
119.05057	0.4
129.01971	0.3
130.66170	0.3
145.97742	0.3
161.04651	0.4
163.04094	0.4
315.17029	0.3
504.16553	0.3
507.35693	0.8
508.35785	4.2
509.26273	0.8
554.88574	0.4
569.07532	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.8
57.03452	8.1
59.01388	37.5
61.98838	50.1
62.67751	2.1
69.29420	7.5
69.29855	9.2
71.01391	46.7
72.99323	4.3
73.02953	24.4
75.00884	8.5
83.01403	8.5
85.02960	37.2
87.00887	5.6
89.02460	11.4
95.01387	4.6
96.96008	4.9
99.00886	11.9
101.02453	38.6
103.98250	1.8
113.02486	18.9
116.69687	1.6
119.03515	2.5
125.02476	3.4
129.01950	2.2
149.04590	3.2
151.04025	5.5
161.04559	10.5
167.03400	1.8
191.01993	5.3
191.05760	1.8
209.03133	3.0
213.90904	2.0
267.07321	2.4
317.19562	2.1
375.23880	30.0
405.25037	6.8
475.95990	1.9
507.28088	100.0
508.28345	7.1
549.33258	2.2
560.74603	2.1
567.26556	8.7
567.33679	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	566.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
59.01385	1.8
61.98837	55.2
65.00317	0.6
69.30138	3.7
71.01393	1.3
73.02978	0.4
81.03468	3.6
83.01409	0.8
85.02981	1.0
96.96031	1.1
98.20730	0.7
99.08181	0.5
101.02391	0.5
107.01459	0.6
115.50566	0.4
123.08181	2.2
125.02466	9.0
125.06071	3.0
136.05363	0.7
147.04605	0.4
147.08186	0.7
149.02460	1.0
151.00375	1.2
165.09224	22.5
166.09511	0.6
167.03516	2.0
167.07138	0.5
191.01996	0.5
191.07152	1.4
209.08214	100.0
210.08540	4.3
233.08214	2.6
237.59621	0.4
273.07758	1.8
279.22162	0.4
293.04602	1.2
413.08838	0.9
423.79315	0.4
460.44827	0.4
503.17743	56.0
504.18103	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	567.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.4
59.01379	7.6
61.98840	11.7
65.00336	2.2
71.01408	6.0
71.33046	1.3
71.54156	1.3
73.02971	2.9
75.00890	2.9
81.03461	11.1
83.01397	9.8
83.05037	1.6
85.02973	11.3
89.02459	3.0
93.03479	5.3
95.01402	2.1
95.05044	6.6
96.96070	1.9
97.02958	5.5
99.00896	1.8
99.04546	3.8
101.02438	1.8
107.01404	4.0
107.05022	2.1
109.02971	5.7
109.06596	1.6
111.04514	2.3
113.02460	4.0
119.05048	14.8
120.05340	1.7
121.02945	2.3
121.06542	1.5
122.03790	1.2
123.00952	1.3
123.04536	19.8
124.04798	1.2
125.02461	20.7
135.04530	6.2
137.02467	9.4
137.06097	7.1
139.04047	10.7
145.02940	2.5
147.04553	3.4
148.04089	1.9
149.02444	2.9
149.06070	2.1
150.03246	2.5
151.00362	11.1
151.04024	4.1
152.00697	4.8
153.00818	2.2
153.01923	1.7
153.05652	1.8
155.03477	1.3
161.05995	1.3
163.04030	5.2
165.01894	4.4
165.05588	9.8
166.02750	1.4
167.03514	39.6
177.01883	1.4
177.05592	2.7
179.03534	8.5
179.07101	2.1
180.04295	2.3
181.05092	3.7
189.05592	8.9
191.02028	1.7
191.03615	3.2
191.07072	1.6
193.05107	6.3
195.06552	2.1
197.04601	5.5
207.06613	1.3
209.02722	2.4
209.04568	27.5
219.06282	1.4
221.04550	5.7
233.04541	2.4
239.05614	15.7
250.96025	1.1
251.05635	5.0
263.05627	2.3
269.06699	3.1
271.06137	5.0
272.06509	3.8
273.07739	10.6
285.07632	2.9
315.08786	18.7
327.08838	7.8
341.10141	2.2
345.09833	7.6
351.05966	1.4
357.09824	100.0
358.10196	7.0
369.09705	6.0
379.39838	1.6
387.10883	93.2
388.11298	6.6
396.64304	1.5
399.10809	2.2
407.29337	1.5
411.11334	2.8
417.11954	35.8
418.12036	2.7
429.11871	10.3
446.09665	1.8
447.13214	12.8
459.12979	9.4
477.14047	9.6
489.14102	4.1
491.16589	2.0
507.14850	1.8
549.16400	1.9
567.16608	25.9
567.24597	2.4
567.35065	2.3
568.17340	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.0
58.00589	3.9
59.01386	86.0
61.98822	8.9
68.49064	2.1
69.99660	10.2
71.01389	66.3
72.99300	5.0
73.02962	19.6
75.00874	5.2
84.48997	1.9
85.02963	25.9
87.00886	2.9
88.98802	3.5
89.02458	100.0
90.02792	2.8
91.10667	2.3
96.96019	21.5
99.00888	34.8
99.92595	4.7
101.02454	41.7
113.02462	12.5
115.07604	2.0
116.92881	71.2
119.03506	7.3
121.02969	4.3
122.03716	2.2
125.02455	8.6
129.01967	2.5
131.02852	1.6
131.03532	16.3
135.04567	2.1
138.03278	2.0
143.03482	2.4
147.03009	2.7
148.09410	2.0
149.04573	75.0
152.01076	2.2
153.05516	2.9
160.05225	3.8
161.04494	4.0
161.05724	2.6
165.05476	2.4
167.03436	2.3
174.01772	2.6
175.07619	6.4
179.07118	2.5
191.02013	6.6
191.05664	17.0
209.03040	4.0
221.06708	5.2
251.07703	6.8
255.02933	8.8
271.02505	12.8
283.10986	3.1
300.02744	23.6
301.03125	3.3
309.08939	4.4
311.09897	3.3
329.13889	9.2
330.14236	10.4
331.14618	16.7
353.07834	3.5
361.16599	14.0
371.08679	4.2
401.15836	3.7
403.11441	6.8
503.47736	2.5
505.26703	61.7
506.26886	4.9
565.15149	17.4
565.23749	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	565.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16430	2.2
55.01891	2.4
57.03447	7.2
58.54154	2.0
59.01387	100.0
61.98837	32.2
71.01392	47.4
72.99324	4.1
73.02951	14.9
75.00871	4.9
75.31157	2.5
78.95906	3.0
83.01401	7.5
85.02968	35.7
85.03464	2.7
86.03333	2.1
87.00882	5.3
89.02451	11.3
92.48789	2.3
95.01407	3.5
96.78743	2.3
96.96040	4.9
97.02982	2.1
99.00890	4.9
101.02456	30.6
108.24686	2.3
113.02448	16.7
116.92867	2.8
117.05891	2.0
121.02941	2.5
121.74960	2.5
123.00890	2.0
125.02470	4.8
131.03589	2.7
147.02975	2.3
161.04582	7.7
185.15543	2.7
191.02022	7.3
308.23544	2.3
314.80899	2.2
317.27032	4.0
369.27975	2.7
386.10532	2.4
433.28101	20.8
461.31268	44.5
462.31653	5.4
479.32166	16.4
505.33524	13.3
521.33289	2.5
565.14886	7.4
565.35657	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.8
57.03436	2.3
59.01386	44.0
60.01714	0.9
61.98835	4.6
71.01392	30.0
72.85347	0.8
72.99311	2.3
73.02957	9.6
83.01407	4.9
85.02964	19.9
87.00870	2.4
88.41847	0.8
89.02458	9.8
95.01376	2.3
96.96001	1.7
99.00922	4.1
101.02460	24.3
111.00875	3.2
113.02473	11.5
119.03519	4.3
125.02455	0.9
127.11360	0.9
129.01942	2.2
143.03499	1.1
149.13316	0.8
159.02986	2.4
161.04588	10.7
179.05580	2.2
255.03174	0.8
318.62030	0.7
343.28546	5.0
400.85406	0.8
452.99570	1.0
505.33899	100.0
506.34140	9.5
565.13550	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	565.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.3
57.03468	3.8
59.01387	62.1
61.98832	18.7
69.80295	3.8
69.80703	8.4
71.01394	39.2
72.99303	2.2
73.02955	12.4
78.95929	4.8
83.01400	5.8
83.74247	2.0
85.02965	31.1
87.00904	2.5
89.02464	11.6
95.01443	2.5
95.68881	2.3
96.96040	11.1
99.00901	5.4
101.02457	26.1
111.00937	2.3
113.02447	19.4
116.92845	3.9
117.97568	1.9
119.03519	4.1
147.03030	2.1
149.04469	2.2
159.02969	2.9
161.04565	6.9
179.05666	2.9
191.01945	4.4
250.30257	2.0
343.28531	4.9
390.30652	2.4
505.33865	100.0
506.34293	9.8
565.14679	4.8
565.35748	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	565.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05046	11.9
59.01388	29.1
61.98847	25.4
69.45025	100.0
72.83183	10.5
119.05042	24.2
132.35764	12.6
161.02510	23.6
196.66423	12.4
505.39230	13.7
505.67276	12.7
507.17514	12.8
553.86603	13.7
556.98303	15.3
565.14496	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2296
Annotation	Excavatolide C
Peak:m/z	Relative Intensity
55.01876	1.7
57.03449	2.0
58.00593	0.8
59.01390	27.6
61.98851	3.8
65.00317	0.9
68.99829	0.6
69.03462	0.7
69.33864	4.8
71.01392	16.0
72.99301	2.1
73.02953	4.7
83.01407	3.1
85.02967	10.1
86.00102	0.6
87.00904	2.9
89.02467	3.4
93.03446	1.3
93.20662	0.5
94.73901	0.5
95.01400	3.1
96.96032	0.9
97.02962	1.0
98.20645	1.1
99.00880	1.7
101.02453	7.5
107.01409	1.5
108.02174	0.8
109.02975	4.9
111.61395	0.5
113.02467	6.5
116.92847	0.8
119.03554	0.9
119.05033	2.1
120.38403	0.5
121.02969	12.0
122.03761	10.0
123.04529	1.9
124.01688	1.2
124.72420	0.5
125.02437	2.5
129.03482	0.8
134.03781	1.1
135.04527	1.7
136.05307	0.7
137.02415	1.9
143.03574	0.6
145.02963	1.1
146.03693	0.6
147.04556	6.9
149.06096	0.8
150.03236	0.6
151.00397	5.9
151.28201	0.5
153.01834	0.7
154.02724	1.9
160.05327	0.9
161.06081	4.1
162.06848	1.8
163.04060	0.7
164.04825	0.9
165.05592	16.5
165.09186	0.6
166.05986	1.0
168.04288	0.6
173.06120	1.3
175.07677	1.5
177.01997	0.7
177.05620	0.7
178.06313	1.2
179.07205	4.9
188.04309	0.6
190.06470	0.8
191.07130	1.4
209.08157	4.3
223.09659	0.6
235.02179	0.5
246.61353	0.5
271.06180	3.9
279.11380	0.6
298.12082	2.2
299.12671	0.7
310.27359	0.6
311.12720	0.7
313.14413	4.4
315.12314	1.1
328.13077	3.3
329.13931	1.9
343.15552	8.7
346.14233	6.1
347.14819	1.8
361.16614	47.8
362.16901	4.0
403.18060	1.0
417.18988	1.3
445.10306	1.0
467.07840	0.6
475.19739	1.3
503.17548	1.5
505.20847	100.0
506.21228	9.4
523.21887	39.5
524.22272	4.1
565.15479	4.6
565.23517	3.3
566.15881	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29107	1.1
54.90696	1.1
57.03448	1.8
59.01109	1.8
59.01388	22.2
61.98831	4.5
71.01376	7.6
71.54364	1.6
73.02955	4.2
75.00877	1.2
83.01406	1.3
85.02966	9.9
87.00871	1.4
89.02472	3.4
93.03494	6.0
95.01424	1.6
95.05051	1.2
96.96046	2.3
99.00923	1.7
99.92575	1.5
101.02470	3.5
108.02213	3.3
109.02945	3.6
113.02483	3.8
116.92849	8.6
117.01949	2.2
117.03493	1.2
119.05043	2.7
121.02979	31.1
122.03748	6.5
123.00874	2.7
123.04565	3.1
124.01682	2.4
125.02407	2.1
128.03545	1.3
129.01944	1.5
132.02174	1.7
133.03021	3.2
134.03761	2.2
135.04550	24.8
136.01683	16.4
137.02446	5.3
138.03262	1.6
145.02969	8.7
146.03729	5.4
147.03027	1.1
147.04558	6.8
148.01672	3.3
149.02467	43.6
149.06099	3.6
150.03235	13.6
151.00371	6.3
151.04027	16.6
152.01173	9.4
153.01935	4.0
153.05612	3.5
154.02734	2.5
157.37166	1.1
159.04530	2.2
160.05280	2.6
161.02467	4.6
161.06093	6.0
162.03229	7.1
163.04012	8.5
164.04816	10.5
165.05597	2.9
166.02750	18.3
167.03516	7.8
168.04239	1.7
171.10289	1.1
172.05322	3.3
173.06085	1.5
174.03299	1.4
175.04041	17.2
177.05586	6.6
178.02596	1.5
179.03458	5.9
179.07195	2.1
181.05064	17.3
187.04025	1.6
189.05603	8.8
190.06383	14.2
191.02000	2.9
191.03534	3.0
191.07062	1.8
192.04411	1.5
193.05107	1.3
201.11334	1.8
203.17433	1.2
205.05162	2.0
205.08754	5.5
206.05676	2.0
207.06723	1.6
209.02948	1.5
221.08266	2.1
233.08235	1.6
241.05045	1.6
281.04529	1.6
282.05243	2.2
295.09775	1.4
297.07877	1.3
311.09259	1.1
315.08597	3.7
325.07343	1.8
325.11044	2.1
326.11536	2.0
328.22015	2.0
329.10376	8.2
329.23016	2.4
341.10181	2.0
343.12027	1.4
355.11868	3.4
356.12704	4.5
357.09680	4.7
357.13623	4.1
359.11453	1.5
361.29633	2.7
369.13489	4.9
372.12259	2.6
373.12769	2.2
386.13754	3.9
387.14481	21.1
490.16309	1.9
496.00195	1.1
505.18704	18.3
505.33740	14.6
506.18759	2.5
517.18817	4.3
520.17358	3.0
523.34698	3.8
535.19806	100.0
536.20056	13.2
547.19720	3.0
565.21198	9.7
565.34320	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.6
59.01163	1.5
59.01388	18.1
61.26167	1.5
61.98824	2.6
71.01377	5.8
73.02947	2.1
83.01424	2.2
85.02962	8.4
89.02466	1.7
93.03462	6.6
95.01383	3.2
96.96012	3.3
98.95573	1.5
99.00875	1.8
99.92593	2.0
101.02451	5.0
108.02175	5.0
108.29033	1.8
109.02922	2.3
113.02443	3.7
116.92877	12.4
117.01961	2.1
119.03484	2.1
119.05017	2.3
121.02975	36.0
122.03763	9.8
123.00887	2.6
123.04529	2.4
124.01661	1.9
125.02489	3.0
132.02176	2.1
133.02951	3.8
134.03728	3.3
135.04539	25.3
136.01666	19.1
137.02423	6.1
139.03981	1.7
145.02980	8.3
146.03737	6.4
147.04514	6.8
149.01315	3.0
149.02461	41.8
149.06078	4.1
150.03271	14.1
151.00380	6.6
151.04012	18.5
152.01123	8.1
153.01953	2.8
153.05595	4.1
154.02701	1.9
159.04556	1.8
160.05264	2.9
161.02432	5.7
161.06097	6.4
162.03238	8.9
163.04016	12.7
164.04796	9.9
165.05531	2.5
166.02701	17.2
167.03552	7.6
168.04198	1.8
172.05298	3.4
173.06088	1.8
174.03177	2.0
175.04008	19.9
176.01344	1.7
176.04674	1.8
177.05530	6.5
179.03459	5.3
179.07153	2.7
181.05078	18.0
187.07811	1.5
189.05618	9.1
190.02972	1.4
190.06364	16.9
191.01973	3.3
191.07010	1.8
192.04330	1.8
193.05017	1.8
201.11481	2.5
205.05057	2.1
205.08682	4.7
206.05887	2.5
297.07486	2.9
311.09219	2.0
315.08649	5.0
323.09018	2.0
325.07150	2.7
325.10535	3.0
326.11600	1.6
328.22107	2.9
329.10303	10.8
329.23132	3.4
339.08551	1.6
341.10132	3.0
355.11865	2.7
356.12772	3.9
357.09711	3.8
357.13461	4.0
359.11237	3.6
369.13437	5.2
372.11890	2.0
385.12891	1.8
386.13608	6.1
387.14514	26.2
443.40598	1.5
490.16272	2.5
504.32574	1.6
505.18909	16.2
505.26642	2.0
505.33624	11.2
517.18530	6.1
520.17010	1.9
535.19769	100.0
536.20135	10.3
547.19806	3.3
565.20721	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39733	1.4
63.02390	5.1
65.00336	15.8
83.01418	7.4
107.01402	21.0
121.10393	1.8
132.98257	3.8
138.60991	1.7
151.00391	70.2
151.39824	1.8
152.00687	2.0
158.84689	4.5
170.99651	1.6
187.11205	1.7
220.97725	2.4
222.99190	4.8
229.16019	3.4
232.10992	2.1
242.32732	1.7
255.17586	16.3
262.98669	3.8
266.98212	2.0
407.18683	31.1
408.19153	3.6
445.13562	2.1
463.14243	4.1
505.15518	100.0
506.15976	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	565.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02282	2.8
71.54276	3.5
71.54696	4.9
87.83379	3.5
108.02139	4.7
119.05054	40.7
121.02972	7.4
122.03743	4.3
137.09955	3.2
145.02940	6.3
158.84674	7.9
161.02364	3.9
203.07196	16.1
243.47861	3.2
245.15486	16.2
255.06601	4.9
269.11755	5.4
311.02219	9.2
325.04059	4.0
337.03909	4.0
338.00974	9.0
356.01813	4.7
361.17868	4.8
366.04117	4.3
377.07034	3.6
379.08835	16.9
379.19052	34.8
380.20120	3.3
405.10269	21.3
407.18674	90.2
408.19058	4.9
421.09747	9.9
429.10083	15.2
445.13382	100.0
446.13773	10.6
473.09750	3.9
487.14160	5.9
505.15424	66.0
506.15585	5.1
565.08270	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	565.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92935	3.7
55.01872	3.7
56.37671	4.0
57.03445	11.9
59.01379	12.1
59.42015	3.5
60.36079	3.3
69.69002	3.9
71.01387	11.2
71.53277	8.2
77.52802	3.4
78.95910	34.5
83.01396	7.1
85.02956	100.0
85.40042	3.5
89.02460	6.8
96.96980	17.7
116.49284	4.5
149.04556	10.9
156.82454	3.9
158.92561	4.9
189.02173	3.6
191.02020	45.4
196.26740	4.8
196.98932	3.8
223.04591	67.6
323.02963	25.1
467.56204	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	5.3
55.99310	3.5
56.44513	3.0
57.03448	11.7
58.55895	3.6
59.01374	13.3
66.98408	3.4
67.30106	3.7
71.01377	13.2
75.00875	7.2
77.14220	3.9
78.95914	35.9
83.01401	8.9
85.02965	100.0
89.02442	6.8
90.13740	3.6
96.96981	15.3
100.94867	3.1
129.01930	4.6
143.03578	4.8
147.02992	4.6
147.24704	4.0
149.04539	13.1
158.92503	7.8
182.13641	3.6
191.01996	40.3
212.72095	3.8
222.97786	4.0
223.04630	63.9
323.02951	19.4
562.15314	4.1
565.04529	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1572
Annotation	5,7,4'-Trihydroxyflavonone 4'-O-xylosylglucoside
Peak:m/z	Relative Intensity
57.03443	2.2
59.01383	11.3
61.98836	9.7
63.02391	2.5
65.00333	15.2
70.96750	0.7
71.01389	7.8
71.55003	0.9
72.99308	1.8
73.02939	2.8
75.00895	0.8
78.95907	1.1
83.01388	9.1
85.02959	7.3
87.00887	1.8
89.02460	2.9
93.03477	5.6
95.01411	1.6
96.96031	4.4
97.02988	1.2
99.00883	2.8
101.02460	2.8
107.01398	25.3
107.71104	0.8
108.02191	1.3
109.02958	1.7
113.02438	3.7
116.92835	2.3
117.03490	2.4
119.05035	46.9
120.05362	1.1
121.02939	4.6
122.03755	3.1
123.00900	1.0
123.04559	1.1
125.02457	18.4
135.04530	1.4
137.02443	1.5
139.04002	0.8
143.04988	1.5
144.69971	0.8
145.02971	16.4
147.04510	2.9
149.06157	1.0
151.00380	100.0
152.00732	2.5
161.06117	2.9
163.04008	2.2
165.01947	5.0
165.05606	6.3
167.03531	1.7
168.00768	1.1
169.01454	1.2
173.05931	0.8
175.00369	1.6
177.01886	5.5
179.03400	0.9
179.07167	2.5
185.06082	3.4
187.03984	3.0
191.02008	1.1
193.01393	1.8
203.07129	1.2
217.78723	0.8
227.07111	3.6
235.02452	1.8
269.04440	1.3
270.04794	1.0
271.06143	72.0
272.06378	3.8
279.11530	1.1
299.08011	0.9
313.07083	3.5
313.10797	1.0
313.14337	1.9
343.15494	3.5
346.14114	2.0
361.16559	17.2
395.29388	0.9
403.10266	1.6
419.11957	3.8
427.08795	2.3
445.10019	21.9
446.10535	1.5
505.20798	33.3
506.21103	3.1
523.21887	14.7
524.22284	1.1
565.15631	98.1
565.23895	4.7
566.15778	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	565.048
Annotation	Unknow
Peak:m/z	Relative Intensity
61.30655	0.4
62.96407	0.9
71.01400	0.6
78.95910	100.0
81.38030	0.5
85.02956	2.5
96.96971	34.3
109.35509	0.4
111.02010	7.9
120.97015	2.3
120.97745	0.4
136.04100	0.7
138.98076	2.3
150.98027	3.4
158.92551	15.0
169.67458	0.5
174.98074	1.4
176.93562	1.4
191.02014	1.1
192.99065	1.7
207.26971	0.4
209.03099	0.6
211.00159	5.3
223.04544	0.7
241.01175	9.1
272.95755	4.2
274.53256	0.5
280.02267	1.7
305.01596	1.1
320.97827	2.2
323.02856	64.6
324.02979	2.3
384.98370	4.5
402.99673	2.0
565.04718	19.1
566.04858	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0482
Annotation	UDP-D-galactose
Peak:m/z	Relative Intensity
62.96403	0.5
63.44621	0.2
69.47039	1.5
71.20561	0.2
78.95910	100.0
96.96967	36.6
98.19904	0.5
111.02009	8.6
120.96983	2.0
138.98036	3.4
143.57042	0.2
150.98041	3.0
158.92552	15.1
161.91655	0.3
164.03683	0.4
168.99191	0.4
173.52179	0.3
174.98021	0.8
176.93573	1.3
179.64499	0.2
192.99072	1.6
211.00151	4.9
223.00108	0.4
223.59343	0.3
241.01196	8.0
263.04083	0.3
272.95755	4.9
280.02225	2.0
305.01801	1.2
308.88605	0.3
320.97931	2.0
323.02853	62.8
324.03201	2.3
384.98471	5.0
402.99387	1.8
420.81982	0.3
422.82242	0.4
440.93533	0.3
504.94724	0.3
565.04767	21.3
566.05280	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48348	0.9
53.78463	1.0
55.01881	1.9
57.03447	9.9
59.01387	17.4
61.98848	1.1
67.17055	1.0
68.99854	1.0
71.01390	16.7
71.14648	1.0
71.54601	1.4
72.99312	3.1
73.02980	1.7
75.00882	4.4
78.95913	2.2
81.08202	1.0
83.01409	2.9
84.02195	2.6
85.02959	100.0
86.03326	1.2
87.00866	4.7
89.02439	7.9
93.03505	1.8
95.01386	2.1
96.96027	17.9
96.96979	1.6
97.02972	1.3
98.95628	1.3
99.00901	1.6
101.02470	3.3
103.00362	1.7
108.02193	1.4
109.02953	4.8
111.00927	2.4
113.02469	4.0
115.00389	3.7
117.03467	1.9
119.03522	1.3
119.05122	1.5
122.03744	6.6
123.04546	1.9
124.01671	3.6
127.03992	1.4
129.01988	10.5
133.01443	7.1
133.02968	7.6
134.03711	1.6
135.04552	11.0
137.02444	2.7
147.03015	10.1
147.04526	3.5
148.05275	1.4
149.04523	1.1
151.04111	1.4
154.02728	1.5
157.45390	0.9
161.02435	1.8
161.06096	3.3
163.04012	1.8
173.01028	1.4
175.02495	1.0
179.03534	3.4
187.03987	1.1
191.02000	54.4
192.02348	1.3
193.05049	1.3
205.03604	1.3
209.03043	49.3
223.04616	2.1
242.05933	5.2
251.72331	1.1
257.08231	2.0
269.07904	1.3
270.09088	6.6
283.06143	4.4
283.09372	1.4
285.11353	20.8
286.11523	1.7
297.07739	4.7
311.05719	6.2
323.02805	1.3
325.07132	3.3
341.06656	1.8
353.06732	13.0
355.08005	1.8
364.89642	1.0
365.06500	1.3
373.09286	19.7
373.13702	2.0
383.07779	5.4
384.76724	1.1
385.09155	1.3
403.16150	2.4
431.09845	8.7
432.33383	1.2
473.10938	21.7
474.11407	1.4
503.11798	2.0
552.22375	1.0
565.13818	8.6
565.24701	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	564.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	0.3
57.03447	0.8
59.01387	2.3
61.98837	100.0
71.01387	1.5
71.55477	0.4
72.05190	0.2
73.02944	0.5
76.88990	0.3
85.02967	4.5
85.04094	0.7
86.03310	0.5
89.02455	1.3
96.96037	1.2
99.00898	0.7
101.02480	0.9
109.02985	0.3
113.02484	0.8
125.02472	0.3
128.03546	1.3
131.03502	0.3
135.04539	0.3
147.03058	0.3
149.04613	0.6
151.05058	0.3
157.06245	0.7
159.04553	0.4
160.05283	0.8
161.05795	0.4
163.04152	0.4
175.07635	0.4
176.08090	0.4
191.02025	2.9
192.02412	0.6
196.07306	0.4
226.11702	0.3
269.04456	0.7
270.04922	1.4
270.10748	0.4
286.10577	0.3
297.07626	0.3
298.08228	0.6
320.09238	2.6
325.07193	0.4
329.14120	1.1
330.14337	2.6
335.36206	0.3
346.11102	0.4
353.06796	0.6
354.07144	1.0
383.07925	0.3
384.08194	0.8
438.62143	0.3
444.10284	0.5
504.25385	0.3
564.14301	5.1
565.15106	0.4
565.24023	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04275	0.3
55.01889	2.8
57.03458	4.2
58.00597	2.2
58.29865	0.4
59.01389	100.0
60.01705	0.6
61.98838	5.1
67.01915	0.4
68.99837	0.9
69.03464	1.0
69.55308	2.5
71.01392	36.3
71.05030	0.5
72.01743	0.5
72.99320	2.7
73.02956	10.6
75.00891	1.6
76.77180	0.4
81.03464	0.5
83.01400	8.6
83.05044	0.4
85.02962	30.7
86.00110	1.4
87.00890	4.0
87.04523	1.1
89.02459	14.2
95.01410	4.1
96.96025	0.9
97.02966	2.1
97.06602	0.7
99.00904	4.9
101.02457	25.9
111.00900	3.6
112.01708	0.8
113.02468	17.4
115.03986	0.7
117.03450	0.7
119.03519	6.4
119.04980	0.9
121.10244	4.6
123.63089	0.4
124.01691	1.1
125.02460	2.8
125.09716	0.5
129.01968	3.0
131.03517	1.0
133.01466	0.7
135.04550	0.5
137.09665	0.7
139.11313	0.7
141.12885	2.5
143.03499	3.0
147.03017	1.2
149.04536	0.6
154.86133	0.4
155.10800	1.0
157.12303	0.6
159.03008	2.6
161.02507	0.7
161.04559	6.6
163.03987	1.5
165.12955	0.4
169.12355	0.9
171.13928	3.2
177.05516	0.6
179.05644	2.7
183.13829	0.6
185.11862	0.7
187.13428	1.1
191.01988	4.9
199.13387	1.2
200.14195	0.7
201.15009	10.9
209.03046	8.6
248.13194	0.4
297.07663	2.6
299.25647	0.6
307.05984	0.5
308.19485	0.4
315.17975	0.5
323.05698	0.6
325.07080	1.0
327.21625	0.8
329.26996	0.7
331.17361	0.4
333.19006	1.1
337.05994	0.4
341.26910	3.4
345.19269	5.4
353.06790	4.3
354.06702	0.4
355.14017	0.6
357.26236	0.5
359.28061	6.8
363.20218	4.5
383.07697	2.1
391.24112	0.4
401.25134	1.0
433.28055	0.6
443.09732	0.9
443.29904	0.9
455.30145	1.2
473.10709	0.9
473.30991	1.5
485.30945	1.7
501.30072	0.5
503.32321	100.0
504.25601	0.6
504.32715	9.8
521.33362	24.3
522.33789	2.6
563.05206	0.6
563.14178	11.8
563.30005	15.9
564.14130	1.7
564.30743	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77637	0.4
55.01884	2.3
57.03458	5.1
58.00604	0.9
59.01387	98.2
60.01734	1.0
61.98845	3.8
64.79092	0.4
68.99845	0.4
69.03476	1.2
71.01392	24.2
71.05028	0.5
72.99327	1.6
73.02956	7.5
75.00896	1.2
77.57156	0.5
81.03489	0.5
83.01392	6.7
84.02170	0.6
85.02962	19.1
86.00119	0.8
86.03310	0.7
87.00903	2.6
87.04543	0.5
89.02464	5.5
93.03456	0.5
93.07145	0.7
95.01408	3.0
96.96033	1.5
97.02980	1.9
99.00877	3.8
101.02458	16.9
101.03120	0.9
109.03011	0.5
111.00888	2.8
111.08178	1.2
112.01697	0.8
113.02473	11.3
117.03453	0.9
119.03545	1.5
124.01668	0.9
125.02459	2.2
127.11335	1.6
128.53391	0.4
129.01958	2.5
134.35179	0.4
137.09732	2.8
143.03520	2.7
143.50087	0.5
146.83575	0.5
147.02991	0.6
149.04657	0.5
153.12894	1.1
155.10789	4.5
157.12398	1.6
159.03006	1.4
161.02440	0.6
161.04555	3.6
163.04132	0.6
169.12323	0.5
171.13937	0.5
179.05614	0.9
183.13887	1.9
191.02060	1.8
201.14980	5.2
209.03040	1.3
227.12862	0.7
229.14455	0.8
230.15175	2.2
277.39487	0.5
282.05545	0.6
283.06168	0.5
295.06207	0.5
297.07742	2.6
301.16626	0.7
311.05533	0.7
325.07141	1.3
333.19168	1.1
335.17157	0.6
337.06949	0.5
341.27148	1.7
353.06696	4.6
354.07388	0.6
357.26483	1.0
359.28055	16.7
360.28467	1.3
365.06781	0.6
383.07709	3.5
401.25540	0.8
413.29190	0.5
423.17795	0.5
433.28305	1.4
443.09698	1.2
455.30142	1.6
473.10950	1.4
473.31216	1.7
485.31259	1.4
503.32318	100.0
504.32712	8.1
521.33325	33.9
522.33533	3.6
545.33868	2.2
563.14130	15.7
563.29822	6.0
564.14209	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80370	1.5
56.03801	1.6
56.18744	1.6
57.03466	7.9
59.01390	48.4
61.98845	27.0
71.01395	39.5
71.55344	2.4
72.99305	2.2
73.02962	11.1
75.00887	3.6
83.01391	5.1
85.02466	2.4
85.02962	33.9
87.00884	3.2
89.01949	2.6
89.02461	41.6
93.03466	3.6
95.01392	2.3
96.96034	14.9
97.02944	1.5
99.00893	13.8
101.02461	27.5
107.32568	1.5
107.65247	1.4
109.02924	1.8
113.02454	11.8
117.01912	1.4
117.03465	6.6
119.03519	5.1
119.05009	6.5
121.02969	5.4
122.03726	2.1
123.00797	1.8
124.01714	2.0
125.02449	4.7
129.01982	9.9
131.03557	9.0
133.02933	2.5
135.04535	2.9
137.02403	2.3
143.03539	2.1
147.03026	3.6
147.04543	3.3
149.02585	2.2
149.04572	39.1
150.03226	4.3
159.04556	7.6
160.05321	23.0
160.87318	1.7
161.02484	3.5
161.04543	5.2
161.06023	6.7
163.03998	9.2
164.04765	5.0
173.06085	4.9
175.04164	1.7
175.07675	19.4
177.05566	7.3
178.06361	5.9
179.03555	1.8
181.63150	1.5
191.02008	9.3
191.05612	7.3
209.03088	3.4
221.06693	4.8
222.62662	1.7
225.11278	4.0
227.03537	1.5
251.07780	3.8
267.06918	2.3
269.04453	4.6
269.10239	4.4
282.05472	2.7
283.06091	4.5
295.06113	3.6
296.06799	4.8
297.07672	20.1
298.08099	1.9
307.06113	2.5
311.05624	4.5
323.05743	3.5
325.07098	8.2
328.05838	3.4
329.14001	85.5
330.14294	4.5
335.05505	1.9
337.07205	2.9
353.06729	33.4
354.06909	4.5
355.08136	1.8
359.14972	4.7
365.06598	6.0
371.20715	6.3
383.07736	22.6
384.07767	1.7
395.07898	4.0
413.08890	3.4
443.10004	10.7
473.10861	8.4
503.18958	6.9
503.25061	34.9
504.25616	2.1
521.20264	3.0
545.12439	2.3
563.14032	100.0
563.21143	5.0
564.14600	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	563.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.9
55.42489	1.2
56.08490	1.1
57.03446	5.5
59.01387	45.3
60.14681	1.4
61.98835	22.6
69.29777	8.0
69.30186	2.9
71.01012	2.4
71.01390	39.8
72.01710	1.3
72.99316	2.4
73.02960	7.8
75.00890	3.0
83.01398	4.5
85.02963	37.0
86.03272	1.6
87.00867	1.7
88.98815	2.0
89.02455	51.1
91.02871	1.2
93.03466	3.6
93.56181	1.1
94.51369	1.2
95.01351	2.4
96.96027	16.8
96.96960	2.0
99.00894	14.0
101.02448	26.8
101.03108	2.0
102.02837	1.3
111.00867	1.9
113.02470	8.6
115.00317	1.6
117.03467	4.4
119.03519	4.1
119.05015	4.5
121.02939	2.5
123.04464	1.8
124.80318	1.2
125.02447	3.4
129.01944	5.5
131.03517	9.0
135.04512	2.6
137.02461	3.4
143.03525	1.4
145.02931	1.8
147.02988	3.6
147.04485	2.3
149.02534	2.5
149.04567	46.8
150.03226	3.0
150.04929	1.5
151.04039	2.9
159.04547	3.8
160.05341	12.6
161.02467	2.5
161.04581	4.2
161.06088	3.7
163.04056	11.1
164.04735	2.6
173.06123	2.7
175.02600	2.1
175.04033	3.5
175.07661	12.3
177.05557	4.6
178.06360	4.2
191.02002	8.0
191.03523	1.4
191.05621	7.0
193.05070	2.0
193.08675	1.7
209.03006	2.4
221.06725	3.2
225.11324	1.5
251.07820	3.7
269.04657	2.3
281.04617	2.1
282.05234	2.4
283.06235	3.2
285.04205	2.2
293.04434	1.5
293.08798	3.8
295.06149	4.9
296.06674	2.5
297.07693	16.1
307.06149	2.7
309.07709	1.7
311.05634	4.9
311.09204	1.3
323.05600	3.8
325.07196	7.6
328.05710	2.5
329.10001	2.2
329.13971	44.6
330.14267	3.1
335.05368	1.6
337.07101	2.1
341.06561	1.5
344.77094	1.5
353.06699	39.6
354.06967	2.8
359.15039	3.1
365.06729	4.5
371.20819	3.0
383.07648	23.5
383.12015	1.9
384.08173	2.6
395.07715	2.3
413.08838	4.0
443.09616	10.8
473.10806	9.4
503.18958	4.6
503.25146	17.6
545.13202	2.0
563.14105	100.0
564.14331	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	563.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.9
57.03458	11.8
58.00583	1.8
59.01388	100.0
61.98821	3.8
69.03460	1.7
69.35992	6.3
69.36409	2.0
71.01392	54.2
71.54807	0.9
72.99298	4.0
73.02953	16.7
73.12692	1.0
73.22169	1.0
75.00878	3.2
83.01406	8.4
84.02132	1.8
85.02965	74.0
86.03271	1.5
86.05692	0.9
87.00894	6.8
88.98797	2.8
89.02454	19.0
93.03436	1.3
95.01394	4.4
96.60323	1.0
96.96024	13.5
97.02952	2.7
98.19884	2.1
99.00886	8.9
99.04536	1.1
101.02459	31.5
103.00392	1.2
111.00861	2.3
113.02463	25.8
115.04002	1.2
117.03467	4.6
119.03523	6.1
119.05035	2.5
123.04536	2.3
125.02437	4.7
126.90364	3.3
129.01974	5.8
131.03477	2.4
131.39590	1.0
135.04527	2.3
137.02428	1.3
143.03468	3.8
143.10751	4.7
147.03020	5.5
147.04314	1.1
149.02419	1.4
149.04578	2.5
159.02960	3.1
161.02454	1.9
161.04578	15.2
163.03952	1.6
167.03551	1.3
175.04030	1.2
189.01857	1.4
191.02000	18.6
191.03642	1.8
192.02333	1.3
203.03424	1.2
205.05135	1.3
209.03000	6.1
232.13356	1.6
233.13730	1.5
240.53703	1.0
267.06976	1.8
268.06955	1.0
269.04456	1.7
274.84885	1.1
283.06137	2.2
295.06180	2.5
296.06741	1.6
297.07755	11.2
299.05585	1.7
311.05569	2.2
314.08447	1.2
323.05670	3.2
325.07272	5.0
328.05743	1.3
337.07217	2.0
341.06232	1.3
353.02679	1.6
353.06720	21.3
354.06921	1.5
359.27969	4.0
363.20361	2.5
365.06668	4.7
371.20782	34.6
372.20798	2.4
383.07703	14.7
384.07874	1.6
395.07553	1.4
413.08789	1.7
443.09460	5.8
444.10257	1.4
473.10846	3.4
503.24893	65.6
503.32230	40.2
504.25146	4.8
504.32608	3.7
521.33850	7.0
545.12988	2.5
563.14032	60.9
563.30280	8.0
564.14337	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	563.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.6
57.03447	12.6
59.01385	100.0
61.98821	4.0
69.03458	1.5
71.01390	53.7
72.99314	3.7
73.02950	13.9
75.00873	3.3
83.01397	8.3
84.02209	1.3
85.02958	71.1
86.03282	1.8
87.00875	7.4
88.98808	2.5
89.02456	20.4
93.03490	1.7
95.01387	5.9
96.96021	12.3
96.96992	1.2
97.02963	1.8
99.00915	8.7
101.01817	2.0
101.02457	34.4
102.02771	1.3
112.13688	1.1
113.02463	29.3
113.06117	1.8
117.03465	4.5
119.03523	7.1
123.04512	1.6
125.02444	4.1
126.90431	3.2
127.96397	1.2
129.01924	6.5
131.03481	2.3
134.03755	1.8
135.04509	2.5
143.03508	4.2
143.10751	3.7
147.03014	5.6
149.04552	3.0
159.02989	3.9
159.78601	1.2
161.02510	2.4
161.04565	15.3
161.13277	1.7
163.04031	2.3
179.03694	1.3
179.05568	1.4
191.01994	20.9
193.04961	1.6
209.03017	4.6
209.06702	1.5
232.13402	3.5
233.13797	2.2
267.06876	1.8
282.05484	1.6
283.06277	1.5
295.06152	3.8
296.06998	1.3
297.07648	12.1
299.05563	2.3
309.07813	1.4
311.05630	2.4
313.83609	1.3
325.07199	5.4
328.05789	2.1
335.05563	1.8
353.06717	19.6
359.27985	4.4
363.20154	2.4
365.06668	3.4
371.20773	31.0
383.07657	11.2
383.24393	1.5
384.07947	1.5
395.07715	1.8
425.08804	1.4
443.10016	6.0
444.29031	1.3
473.10818	4.3
503.24905	54.6
503.32233	32.1
504.25339	4.2
504.32303	2.8
509.17410	1.4
521.33887	8.0
563.14008	56.2
563.30371	7.9
564.14404	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	563.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.4
57.03449	3.9
59.01388	2.2
69.54443	2.1
71.01396	2.4
72.99313	0.7
75.00883	0.6
83.01401	0.8
84.02169	0.8
85.02962	28.2
86.03287	0.5
88.98778	0.5
89.02464	0.4
93.03491	0.7
93.07413	0.4
96.96040	2.4
103.00432	0.5
107.01430	0.5
108.02168	0.4
109.02912	0.4
111.00903	0.7
117.03468	2.4
119.05046	2.6
121.02961	3.7
122.03749	1.7
123.00888	0.8
123.04565	0.6
125.02419	0.5
129.01956	3.5
134.03694	0.5
135.04539	1.2
136.01671	0.6
136.05275	0.9
137.02495	0.9
137.06116	0.8
143.05035	0.9
145.02962	0.9
147.03053	3.4
147.04535	2.8
149.02411	2.0
150.03229	4.7
151.04027	1.4
153.05630	0.6
158.03714	2.4
159.04520	9.6
160.05318	26.3
161.02464	1.4
161.06099	8.0
162.06471	0.5
163.04021	8.1
164.04800	5.6
166.06339	0.4
166.96037	0.4
173.00911	0.8
173.06122	3.3
174.06677	0.5
175.07663	25.2
176.04808	0.5
176.07967	0.9
177.01991	0.5
177.05586	7.2
178.06372	8.2
179.03474	0.6
191.01993	16.4
191.03435	0.7
192.02322	0.5
192.07951	1.5
193.05174	0.6
193.08694	2.5
203.03499	0.6
209.08235	0.9
225.07751	0.9
250.00917	0.4
267.06680	0.4
268.03748	0.9
269.04559	15.2
270.04868	0.8
281.04724	0.5
282.05392	0.6
283.06097	1.4
294.05063	0.5
295.06122	1.8
296.06934	1.1
297.07681	5.3
307.06067	0.9
311.05649	1.9
311.08817	0.4
314.11542	0.8
323.05740	2.2
324.06110	0.5
325.07278	2.2
328.05948	0.7
329.13965	100.0
330.14310	6.9
335.05719	0.7
337.06903	0.7
341.06821	0.5
351.04984	0.8
353.06708	9.9
354.06961	0.9
355.10303	1.2
359.14893	1.2
365.06757	1.4
369.06100	0.7
377.06531	0.4
379.08044	0.5
383.07675	5.4
383.12039	0.6
384.07843	0.7
395.07654	0.8
413.08881	2.2
417.10547	0.8
443.09891	3.4
459.09457	0.8
473.10846	2.2
489.80490	0.4
527.12579	0.5
545.13043	6.7
546.13336	0.5
563.14099	27.2
564.14551	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	563.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60778	0.3
57.03447	0.3
59.01378	1.1
61.98825	0.3
63.68204	0.3
71.01377	1.1
85.02960	1.9
88.98797	0.5
90.64774	0.3
93.03441	0.5
96.36475	0.3
96.96033	0.9
98.20674	0.6
103.45052	0.3
108.02161	0.4
109.02937	0.3
113.50320	0.3
121.02958	3.7
122.03744	1.3
123.00895	1.2
123.04548	0.4
124.01630	0.6
131.05035	0.4
135.04408	0.3
136.05309	1.1
137.02452	0.7
137.06128	0.6
143.05000	1.0
145.03061	0.4
146.03685	0.4
147.04539	2.9
149.02496	1.7
150.03250	5.0
151.04031	0.4
158.03773	3.1
159.04526	9.1
160.05318	27.5
161.06096	8.1
162.03369	0.3
163.04037	5.2
164.04807	5.3
168.04266	0.4
173.06093	3.6
174.06804	0.4
175.07664	25.4
176.04785	0.7
176.08025	1.0
177.05589	6.4
178.06367	10.1
179.06741	0.4
191.02031	0.5
192.07962	2.4
193.05096	0.4
193.08696	2.6
194.91710	0.3
217.45660	0.3
231.77046	0.3
297.07681	0.8
298.26663	0.3
299.12894	0.4
302.44800	0.3
314.11609	1.0
325.07269	0.4
329.13965	100.0
330.14316	6.9
337.07034	0.4
344.12814	0.4
348.32999	0.3
353.06625	2.1
359.14951	2.0
383.07825	1.5
401.16025	0.5
443.10028	0.7
473.18405	0.7
503.19107	0.8
521.20001	0.6
563.13940	5.0
563.20740	0.3
564.14929	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
57.03444	3.7
58.00598	1.2
59.01387	100.0
61.98820	1.1
63.71824	0.9
69.03474	1.9
71.01391	52.2
71.55718	1.0
72.99302	2.5
73.02955	56.7
75.00877	1.7
83.01396	15.2
85.02957	23.6
87.00867	2.4
88.98802	2.5
89.02452	18.4
93.03471	2.2
95.01411	4.1
96.96009	2.7
97.32125	1.0
99.00894	2.0
101.02455	51.3
108.02195	1.8
109.02953	3.4
113.02457	28.3
117.03442	1.7
119.03532	7.3
119.05025	1.2
119.89709	1.0
121.02954	2.4
122.03725	2.6
123.04528	3.2
125.02447	2.6
126.08001	1.2
129.01942	3.0
131.03578	5.0
135.04546	1.0
137.02498	1.5
143.03537	6.3
143.04498	0.8
143.05017	0.9
147.03047	1.3
149.02415	1.2
149.04623	5.0
149.05940	1.1
158.03830	1.3
159.04471	3.6
160.05324	8.2
160.73807	0.9
161.02409	2.6
161.04581	15.3
161.06078	2.7
163.04039	2.4
172.05333	5.3
173.06055	4.2
175.03958	2.1
175.07611	3.7
179.05574	2.9
187.07654	2.1
189.05626	11.5
190.06393	12.5
191.02007	2.5
191.03629	1.1
202.06429	1.3
203.05678	1.2
205.08691	11.2
209.02983	2.5
221.06659	1.1
269.04587	3.8
281.08109	2.6
295.06186	1.6
295.09766	1.2
296.07288	1.3
296.10394	4.8
297.07800	6.5
311.05588	1.8
311.12875	7.8
312.13385	1.2
323.05591	1.8
325.07205	3.6
329.14072	2.3
337.07074	1.3
341.13971	47.7
342.14349	4.5
353.06711	11.5
365.06601	1.6
371.20792	1.4
383.07639	6.8
443.09799	3.1
473.10825	2.3
503.19138	14.7
503.25665	1.2
504.19592	1.9
521.20044	2.3
545.12909	2.5
563.14093	32.4
563.21881	2.0
564.14423	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1411
Annotation	apiin
Peak:m/z	Relative Intensity
52.71315	0.3
55.03642	0.3
57.03445	0.7
59.01384	2.4
60.87413	0.3
63.02397	0.9
65.00345	1.1
70.37754	0.7
71.01379	1.6
75.00887	0.3
83.01373	0.6
85.02964	4.6
88.98825	0.6
89.00323	0.4
89.02454	0.9
93.03451	1.2
96.96047	1.6
98.95658	0.3
99.00898	0.5
101.02446	0.6
107.01411	1.3
109.02937	0.4
113.02451	0.7
117.03484	1.0
119.03648	0.3
119.05012	0.4
121.02983	0.5
121.42295	0.3
129.01949	0.4
133.02975	2.6
135.00932	0.4
135.04541	1.0
137.02484	1.1
143.05058	0.4
147.04443	0.6
149.04582	0.4
150.03236	0.4
151.00380	0.7
157.03076	0.3
159.04559	2.2
160.05278	0.9
161.02466	0.8
164.04684	0.3
164.82896	0.4
169.06599	1.0
173.02467	0.4
173.06004	0.5
174.24210	0.4
175.07646	0.4
180.05823	0.4
181.06607	1.3
183.04568	1.8
185.06213	0.7
187.03825	0.6
191.02028	2.1
191.05762	0.3
196.05244	0.8
197.06087	0.6
199.04039	0.5
201.05577	1.0
204.14282	0.3
211.04135	0.4
213.05623	1.4
215.03534	0.4
216.07304	0.3
224.04807	1.2
225.05618	0.7
227.03468	1.5
229.05141	0.3
241.05188	0.7
245.04921	0.3
255.03021	10.4
256.03500	0.5
257.04584	0.4
267.06598	0.4
269.04572	100.0
270.04919	4.7
281.04498	0.4
283.02509	22.6
284.03107	2.0
285.04086	19.7
286.04346	1.1
295.06067	0.6
297.07721	2.2
311.05750	0.4
323.05487	1.0
325.06915	1.6
329.13953	3.0
337.07385	0.5
353.06711	6.1
354.07318	0.5
359.15109	0.4
365.06693	0.7
383.07581	3.9
383.11893	0.3
395.07999	0.5
396.00354	0.3
401.14957	0.4
413.08539	0.6
417.08423	0.6
425.09067	0.6
430.09079	5.2
431.09827	18.6
432.10165	1.3
443.09814	1.3
472.10602	0.3
473.10928	1.7
473.17648	0.7
503.12079	0.4
503.19202	1.1
521.19684	0.5
563.14099	26.6
564.14417	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	563.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89609	0.6
55.25264	0.6
66.03099	0.7
70.50854	1.9
71.01420	0.7
73.02956	0.7
84.56773	0.6
88.52557	0.7
93.03463	1.8
111.09039	0.6
117.03493	5.8
119.05044	1.0
124.42242	0.7
131.05119	0.7
133.06607	0.7
135.04520	3.5
143.94843	0.6
147.04485	0.9
149.02457	0.8
159.04549	0.9
161.02480	2.9
162.20314	0.7
163.04016	1.9
175.04021	1.8
177.05566	1.7
179.03481	0.6
189.01953	0.8
189.05479	1.0
191.03520	2.2
203.03564	1.7
205.05124	1.0
224.08527	0.9
225.09152	0.7
233.04544	1.3
236.51961	0.6
267.06516	1.3
268.07224	1.5
281.04764	1.1
282.05386	2.3
283.06033	4.2
295.06140	7.6
296.06924	3.1
297.07706	23.0
298.08105	1.2
305.04852	0.7
307.06046	2.7
309.07700	2.8
311.05740	4.0
320.12064	0.7
323.05594	4.7
324.06198	1.1
325.07230	10.7
327.47565	0.7
328.05859	2.5
335.05676	2.0
337.07196	2.9
351.04691	0.8
353.06689	45.1
354.07010	3.4
355.08148	1.1
356.05310	0.8
365.06760	6.8
377.06509	0.7
383.07745	25.5
384.08261	1.5
395.07809	3.2
397.09186	0.8
413.08835	2.5
425.08774	0.9
443.09921	12.4
455.09689	1.2
473.11038	8.0
474.11234	0.8
495.09265	0.7
563.14093	100.0
564.14478	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.141
Annotation	Unknow
Peak:m/z	Relative Intensity
63.26316	0.4
69.88824	0.4
70.60021	1.3
71.01370	1.0
79.01947	0.4
84.52412	0.4
93.03457	1.1
97.64254	0.4
111.80766	0.4
117.03484	5.5
119.05102	1.0
135.04530	1.7
147.04552	0.7
149.02455	0.8
149.05997	0.6
159.04510	0.5
161.02435	2.2
163.04013	1.1
171.04526	0.5
175.04018	1.6
177.01898	0.6
177.05598	0.9
179.03532	0.5
189.05588	0.6
191.03535	1.2
193.05064	0.4
203.03529	1.5
215.03510	0.6
221.04536	0.6
233.04524	1.0
238.06300	0.7
253.05046	0.5
267.06628	0.9
268.07416	1.1
276.74817	0.5
281.04520	1.0
282.05322	1.7
283.06158	3.7
295.06122	4.9
296.06656	2.2
297.07724	16.1
298.08115	1.0
307.06177	1.6
308.81705	0.4
309.07635	2.8
311.05634	3.5
315.23306	0.4
322.04999	0.5
323.05548	3.6
325.07214	7.4
328.05960	2.8
335.05609	1.5
337.07202	3.4
341.06635	1.1
351.05209	0.5
353.06693	36.5
354.06995	2.9
355.08270	1.6
356.05289	0.6
365.06662	5.4
366.07068	0.6
381.06308	0.6
383.07739	22.1
384.08115	2.0
395.07770	2.7
407.07898	0.6
413.08859	3.7
425.08783	1.5
437.08743	0.6
443.09897	11.7
444.09888	1.1
455.09933	1.1
473.10999	6.3
474.11316	1.2
503.12112	0.7
545.12994	1.2
563.14117	100.0
564.14514	14.2
564.21259	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.38
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73125	0.7
59.01391	0.8
60.42102	0.5
70.11484	1.2
83.05071	0.7
94.68500	0.4
97.06575	0.7
98.20699	0.4
111.81285	0.6
165.12848	10.9
183.13914	100.0
184.14244	3.5
209.11853	7.8
227.12907	6.2
267.78088	0.5
277.21744	75.7
278.22031	3.9
283.15552	2.0
301.16562	8.4
303.97067	0.5
420.49219	0.5
476.92703	0.6
513.83862	0.5
561.38086	8.5
562.37860	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	8.2
59.01377	7.6
64.59949	4.2
68.07322	4.4
69.13420	3.8
71.01389	10.3
71.53172	5.4
78.95914	4.8
85.02962	61.7
87.00871	20.1
89.02404	4.4
93.03468	5.0
95.09876	4.2
96.96024	14.7
108.15942	3.7
111.00898	36.1
117.34280	4.1
131.88251	4.1
133.01457	3.7
137.02443	5.2
191.01971	54.1
208.10474	3.7
209.03032	100.0
228.77052	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.09459	0.6
66.13723	0.6
70.95090	1.0
93.03473	1.1
117.03486	3.8
119.05002	0.7
135.04520	1.9
149.02504	0.7
161.02441	1.5
163.03970	1.2
173.06161	0.6
175.04019	1.1
177.05563	0.8
191.03481	1.3
203.03526	1.2
205.04927	0.5
225.09171	0.6
238.06444	0.7
278.42728	0.6
281.04556	0.7
282.05353	1.7
283.06161	2.8
295.06180	2.7
296.06821	1.8
297.07690	12.2
298.08151	0.7
307.06088	1.9
309.07617	1.3
311.05576	2.0
323.05545	3.0
325.07144	7.7
328.06006	2.0
335.05801	1.2
337.07297	3.3
342.96094	0.6
353.06680	29.9
354.07047	2.2
355.08115	1.2
356.05591	1.0
365.06729	3.9
383.07733	22.0
384.08102	1.1
395.07745	1.7
413.08856	2.4
423.29086	0.6
425.08871	2.0
443.09833	10.0
444.10089	0.9
473.10950	12.8
474.11127	0.9
503.11972	4.0
545.13147	2.2
563.14093	100.0
564.14410	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	561.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.3
59.01387	84.8
61.98837	4.3
69.03455	3.8
71.05038	2.4
83.05016	12.2
85.02967	10.7
89.52560	1.3
89.68407	1.4
99.04524	4.0
101.06116	9.3
115.04010	2.2
123.08198	5.4
132.46738	1.3
139.07664	1.5
141.09236	4.2
167.07166	2.3
173.57222	1.3
183.10301	6.2
185.08171	11.4
189.09122	2.3
197.19055	2.3
201.11337	23.0
203.09261	5.6
227.09305	5.1
245.10327	100.0
246.10664	3.7
255.23257	4.1
263.11371	7.1
275.18597	3.8
279.23331	5.9
303.21753	2.1
305.12329	4.8
313.99103	1.4
315.25436	30.7
316.25717	2.6
369.09818	1.5
371.22330	1.4
443.02219	2.3
501.06323	5.6
561.36346	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	561.38
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11829	1.7
52.61206	1.6
59.75118	1.6
70.11769	5.4
83.71864	1.6
87.33228	1.9
93.15825	1.9
94.87816	1.8
97.06630	1.9
97.68391	1.7
98.20570	3.1
124.95565	1.8
139.17221	1.8
142.35472	1.9
158.76219	1.8
165.12849	12.9
167.49281	1.8
170.39359	1.7
171.59576	1.8
183.13916	100.0
209.11868	6.3
227.12985	5.6
264.02283	1.8
277.21756	72.2
278.22043	2.9
301.16589	4.8
561.38245	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	4.6
58.00587	3.5
59.01384	80.8
69.47018	7.8
69.47431	5.0
71.01389	52.7
71.01784	2.7
72.99317	2.3
73.02959	15.3
73.04984	1.6
74.48469	2.0
75.96985	1.8
83.01369	2.1
85.02959	30.5
86.84677	2.5
87.00883	3.5
89.02456	100.0
96.96010	5.6
98.20643	3.6
99.00897	26.8
99.04533	4.1
101.02453	39.0
111.00860	1.9
113.02456	9.8
119.03521	5.5
119.05038	3.7
123.08101	2.2
125.02465	21.4
129.01978	9.8
131.03514	17.7
134.03755	4.4
143.03532	5.2
147.02991	5.0
149.04584	79.5
150.04825	2.4
151.07657	3.7
161.04558	2.5
161.13368	2.4
163.04019	3.4
169.08757	2.0
175.04005	2.1
186.56743	1.8
187.02480	9.0
191.01981	6.0
191.05647	15.0
193.05035	5.4
205.12332	3.7
221.06656	7.1
249.11292	3.9
251.07671	4.4
293.08704	2.3
311.09631	2.0
361.16223	2.9
429.17651	5.2
471.74271	2.6
517.33740	8.9
523.21753	6.5
525.22797	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2922
Annotation	Atractyloside D
Peak:m/z	Relative Intensity
55.89782	0.6
57.03450	3.1
58.00595	0.8
59.01387	26.6
61.42462	0.5
61.98822	2.4
68.99555	1.6
71.01022	1.1
71.01389	16.0
71.05010	0.7
72.99315	13.0
73.02959	5.7
75.00856	1.2
81.03487	0.7
83.01396	2.2
83.05020	1.1
85.02959	17.0
87.00869	2.9
89.02462	8.8
95.01399	1.1
96.95996	1.4
97.02919	0.9
97.06606	0.7
99.00873	2.3
99.04524	1.3
101.02454	7.9
108.24417	0.6
111.00937	0.7
112.98547	2.6
113.02446	5.1
116.97256	0.7
119.03488	2.0
119.05020	2.0
123.08116	0.9
125.02465	1.0
125.09711	2.6
127.07631	1.0
129.01933	2.4
131.03471	1.0
134.03731	1.0
137.09691	1.0
147.03044	1.7
149.04553	4.8
149.05652	0.8
151.00336	1.2
152.01108	0.7
153.09264	4.0
154.05104	0.6
154.42574	0.7
161.04492	1.7
163.04062	3.6
167.03540	1.3
171.10287	10.0
173.00870	0.6
178.99818	0.9
185.11803	2.8
191.01982	5.5
191.05774	0.6
193.05023	2.0
197.11823	1.3
209.02907	0.8
209.11845	8.4
253.09247	3.3
272.17062	0.7
289.18060	2.0
295.05328	0.6
307.19159	9.6
319.22702	1.1
325.20102	6.0
325.23816	1.6
327.21674	2.5
337.23868	4.9
341.05014	1.1
353.12366	1.0
353.23508	4.4
355.24817	1.4
357.26358	1.6
381.22772	4.3
399.23935	13.0
400.23898	0.8
489.26660	1.0
501.23984	0.9
501.30743	7.1
515.28400	1.1
519.31927	3.5
543.28088	4.3
561.29071	100.0
562.29510	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	561.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	5.6
59.01385	78.5
69.28437	9.8
69.28854	5.8
71.01388	43.8
72.99322	2.9
73.02951	17.5
81.03464	2.1
85.02957	33.2
87.00882	2.8
89.02454	100.0
96.96013	5.6
99.00894	24.1
99.04573	2.4
101.02454	41.2
113.02464	7.1
115.04000	2.3
119.03489	6.1
119.04996	3.3
125.02470	17.2
129.01927	6.8
131.03500	20.3
134.03754	5.5
143.03441	4.1
145.01428	2.7
147.02998	6.2
149.04568	83.3
151.07631	2.2
161.04474	3.2
161.13324	2.5
163.03987	3.7
173.01056	2.1
187.02541	8.6
191.01990	6.7
191.05643	18.5
193.05025	3.7
193.80827	1.8
221.06653	5.5
223.13376	2.5
251.07678	4.4
311.09763	3.6
429.17624	2.9
499.33060	2.1
517.34229	4.1
523.21875	5.4
561.22211	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	561.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69745	0.7
57.03459	3.5
59.01384	2.0
69.51675	1.2
69.52070	4.0
71.01394	1.4
81.83026	0.7
85.02958	23.2
93.03493	0.8
94.49411	0.8
96.40033	0.6
96.95985	1.5
108.02191	1.4
109.02981	1.1
119.05035	1.2
121.02959	5.3
122.03765	3.7
128.47063	0.7
129.01990	4.2
134.03755	2.6
136.01672	77.4
137.02321	2.4
147.03021	4.4
149.06119	0.8
151.04021	100.0
152.04341	3.3
159.04454	1.0
160.05350	2.1
162.03244	1.0
163.04013	4.1
173.00893	0.9
175.00342	1.0
175.07712	1.1
177.05576	1.2
191.01994	14.5
193.05038	1.8
209.03072	2.7
248.85828	0.7
283.06042	0.8
305.97800	0.8
308.61420	0.7
310.59949	0.8
311.05542	1.4
313.36386	0.6
319.78683	0.8
337.03574	0.9
342.11038	5.2
357.13455	91.9
358.13803	7.3
415.08771	0.8
475.08743	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	561.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50847	0.7
59.01385	5.0
61.98830	1.0
68.99800	0.7
69.75185	4.0
71.01375	1.7
75.41218	0.7
83.01390	2.2
85.02997	1.0
95.01353	1.7
96.96085	1.0
98.20590	0.8
109.02928	1.4
119.05037	2.5
123.00883	3.3
137.01472	1.4
137.02451	19.9
138.03242	7.1
139.04016	1.7
151.03963	1.2
153.01933	1.5
165.09235	6.5
167.23009	0.7
169.24344	0.8
170.02228	37.6
171.02512	1.6
171.10233	1.5
191.06975	0.9
197.62524	0.8
206.09393	0.9
207.10280	86.0
208.10571	3.8
219.10268	1.9
238.08423	1.4
312.13702	2.8
313.14432	9.1
377.27408	0.9
427.80008	0.9
475.19775	4.6
517.20807	100.0
518.21252	10.7
535.24725	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	26.4
61.98835	6.0
71.01387	4.4
71.54102	3.8
78.95893	4.1
89.02419	3.2
101.02445	4.7
113.02445	3.7
180.79497	2.7
253.09331	16.3
263.20200	100.0
263.23019	5.5
264.20453	4.9
277.21869	3.6
345.70691	2.5
382.71063	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3261
Annotation	Montanin
Peak:m/z	Relative Intensity
55.40430	3.1
57.88736	2.7
59.01385	16.8
61.98842	5.0
62.36879	2.8
69.02931	2.9
69.03440	2.8
69.55975	17.7
71.01360	8.8
78.95905	5.2
81.25817	3.4
84.60030	2.8
85.02953	10.1
89.02445	3.5
96.96012	3.3
101.02443	5.3
110.98492	3.2
118.44681	3.3
125.71938	2.7
135.10086	3.3
137.02457	4.1
181.12375	3.8
199.13380	3.1
311.79163	3.4
521.33667	4.1
523.34991	36.0
559.14099	7.3
559.32562	100.0
560.32910	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	559.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.3
59.01389	3.8
61.98831	0.8
68.99585	0.2
71.01386	1.8
71.54847	0.3
73.02947	0.4
73.44818	0.2
75.00865	0.4
78.95917	5.3
79.95754	3.2
83.01412	0.3
85.02953	1.1
89.02464	0.8
95.01369	0.3
96.96026	100.0
96.96925	7.7
99.00880	0.4
101.02448	0.8
112.98603	0.3
113.02464	0.6
125.02408	0.3
145.09950	0.2
161.04657	0.3
164.42215	0.2
243.06541	0.4
267.64682	0.3
272.48203	0.2
298.07504	0.3
299.17468	0.2
499.29205	0.9
517.30005	0.4
559.30902	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	559.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28657	2.4
55.59036	2.2
57.03446	4.4
59.01389	100.0
61.98833	8.0
65.83535	2.3
71.01392	18.1
73.02948	5.5
74.02515	2.0
75.00876	3.8
83.01391	5.1
85.02961	10.4
87.00877	2.9
89.02461	5.3
93.39033	2.1
96.96025	5.1
99.00896	2.3
101.02451	12.3
108.79961	2.7
113.02467	8.4
119.05015	2.9
141.85196	2.3
161.04620	2.7
497.27579	4.8
499.29260	3.4
515.20978	5.0
515.28644	84.3
516.29199	6.7
551.34875	2.4
559.30688	5.4
560.30658	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75236	0.8
59.01387	44.3
60.01719	4.8
61.01796	2.5
61.98843	6.2
65.00306	1.1
68.99841	3.7
81.03416	1.0
83.01418	1.8
108.61954	0.7
110.00119	1.6
115.81387	0.7
123.00935	0.8
130.25966	0.9
131.05025	2.3
132.05820	5.1
133.06598	1.7
150.35846	0.7
151.00450	0.9
152.01176	1.9
157.06621	0.9
159.08192	2.1
161.09790	1.6
164.04829	3.9
165.99086	1.3
169.15982	2.6
170.16359	1.3
175.04036	2.2
176.04771	1.5
178.99907	1.1
181.01561	0.8
187.07664	1.1
187.11316	22.8
188.11665	0.8
189.01814	0.9
189.05655	1.7
189.70540	0.8
191.07159	1.5
203.03445	1.3
203.07111	1.9
204.04324	1.5
205.05046	2.5
213.05623	0.8
215.07007	0.7
216.07823	1.2
217.08566	0.9
218.05936	1.5
219.06648	0.9
220.07590	0.9
227.20146	2.0
228.20549	2.1
229.05109	2.3
229.28011	0.9
231.06659	8.4
232.03941	1.6
233.04453	1.7
234.05310	1.1
243.06645	2.1
245.08185	14.6
246.05331	0.7
255.10049	1.0
257.11880	1.7
258.05368	1.2
259.06134	23.8
259.13303	1.1
260.06610	2.2
269.21262	2.3
270.21570	3.3
271.22131	1.2
272.07047	0.9
273.07700	20.0
275.10382	0.7
275.12927	4.9
285.07770	1.3
287.22357	4.3
288.22635	5.8
289.14383	1.6
289.22949	2.4
301.10898	2.7
302.11703	4.9
303.12366	12.5
315.12421	2.2
316.13187	5.0
329.14166	1.1
329.23380	3.6
330.23563	6.2
331.23959	2.9
419.18845	1.2
421.16962	0.9
422.17627	4.5
447.18179	12.1
448.18683	1.7
463.25146	1.1
489.22864	1.1
490.23642	100.0
491.24072	10.0
540.43628	8.0
541.30505	4.0
541.43848	14.1
558.44299	5.3
559.30737	58.1
559.44189	13.4
560.30908	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	557.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
59.01385	100.0
60.01720	0.7
70.68221	0.3
71.05053	0.3
77.39932	0.2
83.05049	0.2
84.02171	0.4
90.43964	0.2
126.25418	0.2
154.13535	0.2
155.64803	0.2
167.14476	0.5
169.16005	11.9
178.95944	0.2
195.17500	0.2
197.19112	4.2
199.16995	0.4
207.17601	0.2
209.19154	2.2
224.92972	0.2
225.18573	0.8
227.20195	14.0
228.20573	0.5
241.18117	1.5
255.23289	1.4
259.19135	2.0
269.21243	16.9
270.21622	0.9
276.57581	0.2
287.22299	78.7
288.22644	4.2
297.24435	0.3
301.20200	0.7
315.25391	6.7
316.25964	0.4
316.44708	0.2
329.23370	5.1
330.23746	0.4
539.43250	3.9
540.43024	0.3
557.44220	11.9
558.44476	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54469	0.4
57.03454	0.9
59.01388	100.0
60.01732	0.6
66.75155	0.4
67.76640	0.4
70.99303	1.0
81.03470	1.1
83.14687	0.4
88.68936	0.5
118.43013	0.4
126.21534	0.4
127.11382	0.5
141.12917	0.8
155.14478	0.7
169.16034	6.2
194.87456	0.5
197.19138	4.6
199.17012	1.9
209.19142	1.1
225.22246	0.7
227.20193	6.8
229.48456	0.4
241.18135	7.5
241.21698	0.6
251.20135	0.6
255.23373	4.1
259.19186	6.1
267.51578	0.4
269.18359	0.7
269.21246	12.6
270.10547	0.4
270.21667	0.6
287.22336	24.2
288.22638	1.6
297.24454	2.4
301.20258	9.4
302.20679	0.7
311.22351	0.6
315.25455	10.4
329.23410	13.6
330.23767	0.7
357.26517	0.7
479.41031	0.9
519.05481	0.5
539.43280	22.7
540.43475	2.2
557.44281	34.0
558.44763	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	557.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
59.01385	100.0
60.01722	0.5
60.99302	0.6
65.52347	0.3
78.57153	0.3
83.05048	0.6
97.36954	0.3
98.19944	0.9
111.08211	0.4
115.25965	0.4
117.60191	0.4
141.12894	2.8
155.14427	2.3
169.16010	1.4
197.19095	1.0
207.17551	0.5
208.03531	0.4
227.20189	9.9
227.22346	0.8
229.55832	0.5
241.18167	0.5
241.21693	0.5
243.05383	0.3
251.20168	0.8
269.21225	19.4
270.21509	0.9
287.22302	40.1
288.22693	2.2
301.20172	0.6
311.22107	0.5
315.25638	0.5
329.23370	15.9
330.23615	1.2
539.43213	21.6
540.43457	2.0
557.44257	47.9
558.44586	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	557.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
59.01387	100.0
60.01722	0.5
61.86250	0.4
61.98835	1.4
66.63360	0.4
67.06828	0.3
70.98638	0.7
70.98961	0.4
77.88405	0.4
81.03473	1.8
83.05045	0.7
104.05537	0.4
111.08232	0.4
114.84115	0.4
134.17827	0.5
141.12846	0.9
155.14444	0.8
167.14403	0.4
169.15981	6.1
181.48112	0.4
183.41119	0.4
197.19073	1.8
207.17610	0.4
209.19196	0.9
225.18617	0.9
227.20192	8.8
251.20302	1.8
259.19144	0.9
268.75031	0.4
269.21255	12.2
270.21481	0.6
271.22989	0.4
287.22308	19.5
288.22742	1.4
297.24353	0.4
311.22330	0.9
329.23349	25.9
330.23718	1.5
357.26346	0.5
460.29794	0.4
525.60077	0.4
539.43225	32.4
540.43646	4.2
557.44263	48.2
558.44678	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12582	0.4
57.03461	0.7
59.01386	100.0
60.01703	0.7
60.99310	0.6
61.98834	1.4
62.89527	0.4
71.05022	0.6
81.03459	2.0
83.05033	0.4
97.96070	0.4
99.04553	0.5
126.80493	0.4
155.14488	0.7
169.15993	6.0
197.19106	2.8
199.17149	0.8
209.19144	0.9
223.20784	0.4
227.20200	7.8
228.20410	0.5
229.48232	0.4
241.18103	1.1
251.20253	0.9
255.23244	1.1
259.19110	1.3
269.21231	10.4
270.21570	0.7
279.22952	0.4
287.22299	19.5
288.22675	1.1
297.24258	0.5
301.20181	3.6
311.22415	0.5
315.25473	1.2
329.23343	16.1
330.23831	1.4
331.24878	0.4
344.65988	0.4
521.41931	0.9
539.43207	35.1
540.43585	2.9
557.44269	36.0
558.44629	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	557.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98195	0.4
50.99338	0.4
57.03455	0.7
59.01386	100.0
60.01727	0.9
61.29512	0.4
70.19279	1.8
83.05030	0.7
109.06640	1.6
141.12897	2.2
155.14441	2.0
178.48212	0.6
197.19186	0.5
225.18649	0.9
227.20192	7.3
227.22295	0.6
229.14349	0.6
251.20261	1.1
253.21770	0.7
254.66191	0.4
269.21246	10.6
287.22305	17.3
288.22522	0.9
311.22086	0.6
329.23361	15.7
330.23929	1.0
364.52127	0.5
539.34833	1.1
539.43188	27.0
540.43646	3.2
557.44250	44.7
558.44556	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	557.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.1
57.03445	1.2
58.23880	0.7
59.01389	5.8
61.98819	1.2
67.01875	0.8
69.03461	7.0
69.96835	3.5
71.01392	1.5
71.05019	2.3
80.02685	1.7
81.03464	2.7
83.01429	0.9
83.05030	6.1
84.02184	1.5
95.05020	1.8
97.06589	1.8
109.06628	1.0
119.03412	0.8
123.08177	2.7
124.32343	0.7
125.09753	3.7
135.08195	1.2
135.87009	0.7
137.09773	0.8
149.09770	1.2
151.11293	5.6
153.12891	1.8
161.09734	8.5
162.10019	1.0
163.11322	5.5
165.12845	2.8
179.10797	25.0
180.11156	1.1
181.12358	1.3
185.11830	1.4
191.10791	1.0
197.11845	77.8
198.12186	3.6
207.10007	0.9
209.11841	67.3
210.12166	2.3
223.09799	2.7
227.12898	7.8
241.10857	10.6
297.13467	5.6
315.14508	16.7
316.14767	0.9
389.23242	1.4
463.26959	1.5
507.25955	1.4
525.27094	100.0
526.27448	8.6
557.29913	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	557.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.8
59.01387	8.9
61.98807	0.7
69.90592	1.7
71.01382	3.2
72.99294	0.5
73.02951	2.9
78.95908	7.4
79.95757	3.2
83.01359	0.9
85.02966	1.5
86.33598	0.4
87.04513	0.5
91.82888	0.4
96.96024	100.0
96.96925	8.8
97.06599	0.7
98.95586	1.0
99.00915	0.4
99.92604	0.9
101.02454	3.0
113.02468	1.3
114.93407	1.3
115.92087	1.4
116.92875	6.1
123.08161	0.5
127.07676	0.7
149.04575	0.6
151.07660	1.6
161.04572	1.4
259.44794	0.5
264.43005	0.4
275.05676	0.6
295.06311	0.4
311.05859	0.6
311.18799	0.6
367.95712	0.5
393.09937	0.7
437.08716	0.6
544.57251	0.4
557.13031	5.5
557.30939	2.0
559.22815	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59033	0.7
57.03435	1.8
58.60894	0.7
59.01112	1.2
59.01390	17.9
59.53222	0.8
61.98827	3.3
69.52405	5.7
71.01388	4.8
73.02971	3.9
78.95916	8.8
79.80293	0.8
79.95742	3.2
85.02956	5.1
87.00876	0.8
87.04530	1.0
88.65959	0.7
89.02453	3.2
93.03482	1.5
96.96022	100.0
96.96926	8.7
97.06608	0.8
98.20642	1.1
99.04569	1.4
101.02450	3.2
111.36951	0.7
113.02479	2.7
114.93465	2.0
117.03490	4.6
119.03496	0.8
123.04555	0.9
125.02428	1.6
125.06101	1.2
125.09688	1.0
127.07651	2.0
133.02980	1.1
135.04555	0.9
136.05299	1.4
141.05637	0.8
149.02446	2.0
149.04576	0.9
151.07658	8.3
151.11092	0.9
161.02470	2.0
165.01854	1.1
169.08720	1.4
175.00412	1.3
175.04109	0.9
177.01920	3.4
188.79303	0.8
189.02019	1.1
201.02086	1.0
203.03413	1.0
219.02907	1.1
231.02959	1.2
239.06911	0.8
267.19437	1.0
267.28888	0.9
269.04523	2.4
281.04547	2.4
282.05350	1.5
283.06152	6.3
293.04630	1.5
295.06070	6.6
296.06412	1.0
297.04004	3.1
309.04196	1.9
311.05661	9.3
311.18640	2.0
314.04330	3.3
321.04071	1.3
322.04926	1.4
323.05618	6.7
328.05786	1.4
337.03546	8.1
338.04285	1.1
339.05014	8.5
341.06534	1.5
346.05771	1.4
347.05701	1.2
349.06967	1.0
350.04510	1.0
351.05118	6.4
353.10355	3.6
353.19397	1.2
355.21448	1.6
365.10336	1.2
367.04532	2.7
369.06180	1.6
381.23166	1.2
391.07831	1.1
393.09933	4.5
409.09351	2.3
437.08856	8.1
445.07642	2.9
455.26602	3.0
465.28827	1.4
483.29449	4.1
487.08890	3.9
489.09998	1.1
513.31030	1.5
539.12091	2.2
557.13025	77.4
557.30774	3.1
558.13184	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	557.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82661	4.2
50.87810	4.7
55.06037	4.7
59.01385	79.7
61.98833	29.3
69.21573	48.2
71.01011	6.9
71.01383	50.9
73.02957	10.6
75.00892	6.4
85.02975	19.8
87.00890	8.3
89.02452	61.7
93.03484	31.7
95.01402	11.1
96.96040	21.5
97.02970	6.7
99.00889	13.6
101.02465	24.9
108.02191	5.2
113.02473	10.9
116.12544	5.4
116.92892	5.2
121.02985	17.5
125.02459	30.7
125.13567	4.7
131.03470	9.0
137.02435	32.9
149.04553	19.0
152.99496	6.8
161.04485	5.9
167.03520	13.5
171.10236	7.4
179.10786	5.5
191.05640	6.7
225.11252	6.1
227.07172	31.8
233.06638	30.4
293.08813	100.0
307.87585	4.8
329.06476	11.5
351.12549	7.9
413.10974	29.3
513.08307	11.3
521.33551	26.0
557.13605	24.9
557.30835	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.2
61.98838	0.6
71.01394	1.3
71.32120	0.4
73.02966	1.2
78.95956	0.3
79.95753	3.8
83.01379	0.5
84.98131	0.2
85.02958	0.4
86.68941	0.2
89.02470	0.6
96.96024	100.0
101.02453	1.2
113.02467	0.3
114.93400	0.9
161.04692	0.3
190.07713	0.3
415.19803	2.0
471.15677	0.7
521.33185	1.9
557.12982	0.3
557.30969	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	557.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05374	0.4
54.12109	0.4
59.01380	0.9
61.98822	0.8
64.46332	0.4
69.49757	3.2
71.01382	1.7
73.02958	0.5
75.00861	0.6
83.01427	0.8
85.02950	1.5
89.02428	0.5
93.12152	0.4
96.96031	2.4
101.02445	0.7
119.05058	0.8
125.06129	0.5
135.04518	0.8
147.04626	0.6
161.02419	0.7
163.04018	1.3
175.03999	0.7
177.05699	0.6
189.05524	0.5
191.03529	1.3
201.62914	0.4
203.03546	1.0
217.05028	0.9
218.05772	0.5
225.58661	0.5
231.06642	11.0
232.07391	12.9
233.04489	0.6
233.07980	0.9
245.08171	1.6
246.08913	0.9
247.09792	2.2
259.06238	1.2
259.09753	3.0
260.06924	0.5
260.10550	1.5
261.11316	15.8
262.11581	1.2
271.09732	1.8
273.07529	0.4
273.11310	1.5
275.05981	0.7
275.09332	2.8
287.09225	2.2
288.10052	0.8
289.10831	11.1
290.11145	0.6
292.09482	2.7
299.09277	1.7
301.07422	0.6
301.10785	3.1
315.08902	1.1
317.10315	50.3
318.10635	2.2
319.11826	1.0
320.09024	1.2
329.10315	5.1
342.93790	0.5
343.37006	0.5
345.09879	0.6
347.11368	25.2
348.11728	1.1
359.11353	2.6
377.12323	1.2
383.10873	0.5
389.12378	0.9
437.14529	13.9
438.15112	0.6
467.15634	3.0
540.15125	0.5
549.87549	0.5
557.18787	100.0
558.19147	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	557.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22148	0.8
59.01392	1.9
69.36108	2.4
69.36537	3.3
71.01390	2.0
81.03500	1.0
83.01389	1.6
84.87959	0.7
85.02968	1.0
87.76176	0.7
93.03471	2.8
95.01420	1.7
95.04999	1.1
96.96039	0.9
97.02946	2.0
98.19971	1.3
109.02959	1.0
113.02431	0.7
117.03477	4.6
119.05046	1.6
121.02997	1.8
123.04525	1.0
125.02478	3.3
133.02991	1.3
133.06540	1.0
135.04471	1.5
137.02444	1.3
145.03049	0.7
147.04520	1.7
148.91913	0.7
149.02477	2.3
151.00435	0.8
159.04446	0.9
159.08058	0.8
161.02426	2.9
161.06085	0.8
163.00351	1.1
163.03986	2.1
164.01085	0.8
165.01985	3.2
166.02719	1.1
167.03517	1.2
173.06168	1.6
175.03935	1.9
175.07605	1.0
177.01903	1.2
179.03523	1.1
185.06056	1.3
187.04024	1.0
189.01964	0.9
189.05597	1.9
191.03496	1.2
192.00676	1.0
199.04008	0.8
201.05659	2.0
203.03517	4.1
203.07137	3.3
204.04024	1.0
205.01382	1.1
205.05139	2.6
207.02989	1.1
213.05696	1.0
215.07185	0.8
217.05055	1.2
219.06607	3.0
225.05618	0.7
229.04948	1.7
231.06631	2.2
232.03905	0.8
233.04530	6.7
239.07132	1.2
243.06569	0.8
245.04564	3.1
246.05342	1.4
247.06161	10.4
253.05069	1.5
257.04532	0.8
259.06073	3.2
265.05313	0.9
269.04575	4.5
275.05649	63.5
275.28085	0.7
276.06009	3.8
277.07281	1.2
281.04575	5.4
282.05295	2.4
283.06128	15.5
287.05682	7.4
289.07123	2.1
293.04538	1.2
295.06189	5.3
299.05569	2.4
305.06723	30.6
306.07159	1.1
307.06113	0.9
309.03952	1.0
311.05670	17.6
312.06006	1.4
314.04205	2.7
317.06683	10.9
321.07523	1.4
323.05673	4.4
326.04306	0.9
329.06564	2.3
337.03564	1.6
339.05151	1.8
341.06696	5.9
343.04691	2.3
347.07730	6.2
349.07141	1.0
351.05081	3.3
367.04639	1.0
369.06131	1.0
377.08899	1.9
381.06027	1.1
391.08221	1.2
393.09915	2.8
395.09848	29.7
396.10098	2.1
409.09198	0.9
419.07996	0.8
431.09793	3.1
437.08878	12.1
438.09595	0.8
463.09058	2.3
467.09781	3.0
471.09222	1.3
529.13538	1.2
539.12146	2.7
557.13049	100.0
558.13416	9.1
584.71783	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09118	0.6
59.01385	14.3
61.98843	3.9
62.76825	0.6
65.68937	0.7
67.77116	0.6
69.03437	0.6
71.01384	3.4
71.55139	1.2
73.02952	1.7
75.00829	0.6
78.95914	10.1
79.95753	4.1
82.95394	0.9
85.02955	3.3
87.00908	0.8
89.02457	1.4
89.23225	0.6
93.03460	0.7
96.96027	100.0
96.96936	9.8
99.34824	0.7
101.02441	2.4
101.06094	1.0
110.29412	0.7
111.04488	0.9
113.02466	1.9
114.93475	0.7
116.92855	1.0
117.03500	5.5
119.03582	0.9
119.05013	1.3
124.78865	0.7
125.02468	0.9
125.09705	1.3
127.07661	2.3
136.05331	0.9
149.02452	1.6
149.97998	0.7
151.04102	0.8
151.07666	6.5
161.02472	3.7
161.04610	0.8
163.03928	0.7
169.08676	0.9
175.00349	0.8
175.04019	1.2
177.01933	1.6
187.04123	0.9
189.01949	2.1
191.02040	0.9
201.02118	0.8
219.06509	0.9
231.02946	0.9
231.06943	0.9
265.04947	0.7
268.03946	0.9
269.04617	2.3
281.04538	2.5
282.05402	1.9
283.06125	7.8
293.04764	1.6
295.06094	4.4
296.07153	0.8
297.04013	3.0
300.06525	1.1
307.06104	1.3
308.03333	0.8
309.03946	2.4
311.05640	8.7
311.18661	1.3
312.05911	1.0
314.04398	3.3
322.04831	1.4
323.05490	5.0
325.03442	1.4
328.05984	1.0
337.03601	8.1
338.04330	1.0
338.08014	0.9
339.05173	7.9
341.06998	1.5
346.05591	1.3
347.05838	0.9
349.07166	0.8
351.05200	5.1
353.10330	1.9
355.21298	0.8
363.08847	1.3
365.10355	1.2
367.04565	2.6
369.06180	2.4
381.09900	1.5
391.08429	2.0
393.09903	5.5
409.09348	2.1
431.09619	1.6
437.08835	7.6
445.07825	1.9
455.26605	2.5
471.09280	1.8
483.09070	1.0
483.29373	4.3
487.08813	3.6
489.10349	0.9
513.30804	1.1
529.13281	1.8
539.11456	1.5
557.13019	71.5
557.30841	2.0
558.13391	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	555.2849
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
50.68985	0.4
51.45959	0.4
52.38406	0.4
53.75989	0.4
59.01380	0.8
63.84975	0.4
63.96247	1.2
69.03448	0.5
69.48852	3.0
71.01391	6.0
73.02954	1.1
78.98595	6.3
79.95745	8.5
80.96526	67.4
81.03474	0.8
85.02950	2.5
87.00895	2.6
94.97492	0.8
94.98100	15.5
95.01396	0.5
96.08939	0.3
96.96015	0.8
97.02963	1.2
101.02455	1.9
106.98099	3.5
111.37194	0.4
122.97607	3.3
125.02458	3.0
125.75567	0.4
127.04048	0.6
134.97603	5.2
136.99168	1.2
148.99159	5.6
152.98659	5.5
164.98648	11.8
167.00290	0.6
206.99718	2.7
225.00758	13.6
255.23259	2.5
299.04431	2.6
341.07935	0.4
370.85956	0.4
406.79431	0.4
425.42050	0.4
469.43478	0.4
498.34592	0.4
555.28467	100.0
556.28833	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	555.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45586	0.4
54.25102	0.5
57.03440	0.4
57.48898	0.5
59.01385	14.3
61.98832	1.8
69.86149	0.4
70.37502	1.8
71.01384	2.6
73.02963	1.1
75.00868	0.7
78.95914	6.3
79.95752	4.1
80.91657	0.4
82.95428	0.6
83.01352	0.4
85.02969	3.6
89.02465	1.5
89.13715	0.4
96.96024	100.0
96.96925	8.0
99.00904	0.5
101.02464	1.7
113.02473	1.6
114.93439	1.8
119.03493	0.6
129.01941	0.5
161.04572	0.8
191.02013	0.5
225.40694	0.4
324.98560	0.5
350.54819	0.4
393.05286	0.5
403.83777	0.5
417.93463	0.6
492.59030	0.5
555.29126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.6
59.01389	10.8
61.98831	1.8
64.32126	1.0
65.06978	0.8
66.21872	0.8
71.01394	5.3
71.55299	0.9
72.99338	1.6
73.02951	0.9
75.00892	1.4
82.95427	2.1
85.02949	7.4
88.98828	1.5
89.02451	3.0
93.03480	3.9
96.96046	1.9
99.04534	1.0
101.02446	3.5
105.03386	1.0
108.02190	1.9
109.02957	9.9
113.02428	2.8
115.00461	1.0
119.04992	0.9
121.02962	6.2
122.03759	11.8
123.04566	7.5
125.02473	1.3
132.02199	1.8
133.02983	5.5
133.18080	0.9
134.03772	2.1
135.04547	3.4
136.01646	1.9
139.07660	1.1
147.04510	1.8
149.02463	23.0
150.03244	100.0
151.04022	20.0
152.04440	1.3
158.03662	0.9
159.04501	2.8
161.06078	1.0
163.03992	1.7
164.04869	5.5
165.05585	91.9
166.05908	3.0
173.06087	3.5
180.04305	6.9
181.05107	12.5
189.05663	3.3
191.01939	2.7
191.07210	0.9
195.06647	59.6
196.07014	1.9
203.07216	1.8
205.12370	1.2
205.66417	1.0
209.11826	3.1
226.98735	0.9
240.04347	1.4
241.05125	5.3
242.11154	0.9
255.06636	3.5
267.06564	2.9
268.07370	1.5
269.08173	1.6
279.12534	1.9
281.08173	1.9
297.07678	3.2
299.09354	4.4
306.10214	1.1
307.10574	1.1
311.09436	2.0
313.10788	7.3
329.10126	2.4
344.12708	11.6
345.13205	2.3
351.08957	0.9
357.13498	1.7
359.15045	30.4
360.15524	2.5
401.16104	1.2
431.15585	1.1
443.15231	1.4
447.14496	2.0
461.16223	7.0
470.15277	1.0
477.15500	1.8
491.16983	1.4
492.18304	1.3
507.20279	79.7
508.20740	9.1
555.22241	8.5
555.34357	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	554.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	20.9
60.01712	0.3
69.37209	2.9
69.60051	0.3
71.21941	0.3
78.95914	18.9
85.38412	0.3
96.96939	0.4
136.73535	0.3
141.98813	0.3
146.85812	0.4
148.07416	0.4
152.99582	2.6
168.04330	3.2
194.06059	0.3
224.06966	8.2
242.07990	1.6
255.23325	100.0
256.23663	5.1
305.44992	0.3
341.97382	0.4
386.13382	0.3
480.30991	60.3
481.31345	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	555.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.2
55.31538	1.0
56.17222	1.0
57.03451	14.7
59.01388	6.2
60.56195	1.1
65.70529	1.1
71.01385	24.7
71.54723	2.1
72.99335	2.6
75.00884	10.0
80.34474	1.0
83.01400	4.0
83.05035	1.5
84.02177	2.4
85.02959	100.0
86.03270	2.0
87.00880	3.3
89.02467	1.2
91.15556	1.0
106.06660	1.0
109.72139	1.1
111.00891	7.2
111.94889	1.0
119.05040	28.7
120.05392	1.5
125.02395	1.6
129.01961	30.5
137.09715	4.0
145.02966	3.0
147.03038	10.9
155.10785	5.6
163.04027	53.6
163.30821	1.2
164.04401	1.4
165.05602	1.7
173.00909	13.1
176.44545	1.1
186.48256	1.3
191.01994	48.4
192.02481	1.3
199.09741	10.8
206.56029	1.4
217.10712	5.8
293.06772	2.1
337.05762	14.4
347.13480	23.2
347.17346	2.2
350.39166	1.2
373.11316	2.6
391.12573	6.9
409.13562	23.2
455.18118	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.3
57.03459	12.4
59.01385	7.1
71.01389	20.0
71.31287	0.7
72.99323	1.6
75.00883	8.6
83.01383	2.5
83.04991	0.8
84.02177	2.1
85.02960	100.0
86.03303	1.6
87.00848	3.2
88.98809	0.6
89.02430	0.7
95.01408	1.1
96.96025	1.9
97.02956	0.7
99.00845	0.8
99.03900	0.5
101.02454	0.9
103.00397	2.1
109.02986	0.8
111.00886	4.1
113.02531	0.8
114.04609	0.6
119.05037	10.4
121.02995	0.8
123.00909	10.0
124.01732	2.9
125.02456	7.0
129.01958	17.5
135.04506	0.7
137.02394	0.6
137.09749	2.2
145.02881	0.8
147.03024	9.3
149.02470	2.7
149.99619	3.2
150.03267	5.5
151.04054	1.3
155.10788	3.3
161.02502	0.8
163.04025	17.6
164.04549	1.1
165.05591	6.3
167.03450	3.4
168.00645	5.9
173.00941	6.3
174.32439	0.6
180.04301	0.8
181.08733	1.3
191.02000	69.4
192.02400	2.1
195.06668	2.7
199.09761	8.0
209.11908	0.9
217.10818	4.4
231.06639	0.6
231.10381	1.2
293.06808	1.0
313.05576	3.0
331.06732	1.8
337.05664	8.8
338.05713	0.6
344.12952	0.7
347.13495	16.2
347.19901	0.7
348.14023	0.8
359.15118	1.8
391.12506	4.0
409.13547	13.8
410.13467	0.7
491.54922	0.7
507.20242	6.8
555.17017	15.0
556.17285	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.2
68.99591	0.5
69.41430	2.1
69.41857	2.0
74.31748	0.6
78.95912	23.6
85.02952	1.5
91.79787	0.6
94.91068	0.5
125.06190	0.6
125.86353	0.5
135.70949	0.5
152.99606	3.3
153.58612	0.5
162.83917	2.2
168.04306	3.0
224.06973	10.0
242.08026	2.3
255.48763	0.6
279.23322	100.0
280.23706	5.4
356.15411	0.5
492.61392	0.5
504.31015	70.2
505.31430	5.4
523.46094	0.6
555.56982	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69182	0.2
55.82216	0.2
58.24742	0.2
59.01363	0.6
61.98831	0.2
70.55038	0.8
76.98779	0.2
78.95914	5.9
95.23716	0.2
103.30828	0.2
103.50761	0.2
128.03532	0.2
152.99586	0.9
158.39320	0.2
168.04314	1.3
187.84534	0.2
208.03700	0.2
224.07011	0.9
226.45547	0.2
242.08005	2.5
261.22159	0.3
279.23312	100.0
280.23633	6.3
286.03229	0.2
400.45502	0.2
465.19833	0.4
487.99277	0.3
504.31009	32.2
505.31415	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	553.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78776	4.4
61.98828	7.3
80.96528	6.9
87.57890	4.3
96.96026	5.8
109.22517	4.6
119.05045	7.0
120.50533	4.6
121.36980	4.9
141.24561	4.3
160.84219	51.2
162.83917	100.0
178.37296	4.9
187.99503	5.5
202.32947	5.1
206.18295	5.0
231.20160	4.8
244.67221	4.5
279.04276	6.3
331.78717	4.7
392.19089	4.7
573.07532	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	553.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83075	1.1
69.03472	10.5
71.01376	2.6
71.05032	2.6
73.13490	1.1
83.05015	1.5
97.06609	2.3
117.59259	1.1
123.08199	2.7
125.09717	5.1
137.09807	1.1
149.09801	2.3
151.11319	7.4
161.09740	14.0
179.10799	37.6
180.11113	1.3
197.11848	87.9
198.12186	2.4
223.09802	5.6
229.25391	1.2
237.18816	1.2
237.22250	1.1
241.10860	15.8
255.23325	100.0
256.23682	4.7
284.63364	1.1
297.13403	10.4
311.68292	1.2
315.14499	18.2
553.37518	88.2
554.37915	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	552.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93190	1.0
59.01372	2.2
61.98835	1.3
62.96164	0.8
71.01385	0.8
71.54816	1.2
78.95911	31.5
146.93701	0.8
152.99590	3.2
163.90938	0.8
168.04321	4.2
224.06966	11.2
242.07994	2.6
253.21687	4.6
277.21747	100.0
278.22046	6.8
382.59790	0.9
502.29465	76.9
503.29691	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	553.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	7.3
61.98839	3.0
71.01379	5.0
76.06100	2.0
80.06733	2.2
85.02962	6.6
85.04694	2.3
89.98408	2.2
96.96011	7.5
125.02499	3.6
126.32648	2.3
132.02190	7.2
134.03751	34.4
137.02452	3.3
149.06082	12.6
152.01129	3.3
160.01692	34.4
173.57990	2.3
175.04016	70.4
176.04543	2.4
178.02693	10.7
186.55054	2.0
191.01936	3.5
193.05074	100.0
217.05055	8.0
226.47897	2.6
235.06197	3.7
238.26060	2.1
347.29565	2.5
355.10352	60.3
356.10590	4.9
393.06229	2.3
486.77539	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	553.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.4
58.61999	0.3
59.01383	4.2
60.11926	0.3
60.68631	0.4
61.98830	0.9
67.71753	0.3
69.56023	0.8
69.56438	1.6
71.01382	2.1
72.99325	0.5
73.02962	1.5
75.00893	0.6
78.95919	2.0
79.95741	2.8
83.01385	0.8
85.02965	2.9
87.00855	0.4
89.02461	0.6
96.96021	100.0
101.02464	1.2
104.77725	0.4
108.02138	0.4
113.02453	1.2
119.04982	0.5
121.02957	0.6
121.08850	0.3
125.02467	0.8
129.01991	0.5
147.03015	0.5
149.02437	0.7
150.03239	3.6
161.04665	0.7
163.03967	0.5
163.89967	0.4
165.05603	3.5
167.03438	0.5
191.01959	1.5
195.06621	1.5
217.40062	0.4
239.34251	0.4
243.34503	0.4
290.62900	0.5
327.12387	0.9
339.12323	0.9
505.18390	0.8
517.19452	0.4
553.19757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82917	14.7
71.54337	22.4
96.96017	19.6
112.98536	14.5
129.65347	14.4
187.11272	29.9
279.23215	28.9
342.90173	14.3
399.69858	15.9
491.17953	100.0
492.14941	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	551.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	14.9
71.01386	2.2
73.02952	0.9
81.14141	0.5
81.20808	0.5
81.92905	0.5
85.02962	0.7
86.73592	0.5
87.00860	0.7
89.02462	3.0
101.02446	3.2
103.27298	0.5
104.30267	0.6
107.37489	0.7
113.02473	1.2
119.03513	0.6
160.84236	3.7
161.04530	1.2
179.05603	0.7
194.64841	0.5
235.08249	2.1
237.11075	1.1
253.09300	13.6
255.23315	100.0
256.23648	5.8
491.31921	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
60.42617	0.7
61.98866	1.1
70.35613	0.7
71.24686	1.4
71.47028	0.7
78.95924	7.3
88.92199	0.7
100.35670	0.7
113.10638	0.7
122.12109	0.8
135.00880	0.8
145.31110	0.7
152.99614	0.9
165.72264	0.7
168.04289	1.5
195.49315	0.7
224.06841	0.9
242.08051	2.2
255.17586	3.1
275.20071	1.1
277.21744	100.0
278.22067	4.7
326.15668	0.7
354.31287	0.8
391.19177	2.9
435.87714	0.8
502.29480	33.8
503.29871	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	551.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91372	0.5
54.37108	0.6
55.01890	3.0
56.85676	0.5
57.03458	3.1
58.00598	2.2
59.01387	50.0
60.94269	0.5
61.98821	0.9
71.01391	49.1
72.99317	3.4
73.02957	8.5
74.07639	0.6
75.00880	1.0
81.60081	0.5
83.01400	6.6
85.02961	26.0
87.00878	2.9
87.04508	0.6
89.02457	38.6
95.01399	3.6
96.96026	6.0
97.02966	1.0
98.19968	1.5
99.00906	3.6
101.02457	32.0
102.02760	0.7
107.05038	0.5
111.00877	1.3
113.02468	19.2
119.03508	15.8
121.02958	1.3
123.04571	0.6
125.02456	1.6
129.01945	2.0
131.03508	2.0
133.01472	0.7
133.02966	0.7
134.03777	3.0
134.58157	0.6
135.04539	4.0
143.03502	1.9
147.03038	0.6
149.02452	1.0
149.04518	0.9
149.06110	0.9
150.03253	4.3
159.02925	1.4
160.01648	1.0
161.00967	1.2
161.02426	0.7
161.04573	8.0
162.47954	0.5
164.13263	0.5
165.05573	5.7
170.90735	0.5
175.04034	1.5
178.02705	1.6
179.03494	1.0
179.05644	7.1
191.01979	3.6
193.05090	7.6
195.06590	4.1
209.02965	1.9
209.04683	0.6
223.15317	0.5
227.40970	0.5
285.03964	0.6
303.05139	0.9
327.13519	0.6
341.10352	0.7
365.37003	0.6
378.66962	0.6
389.13058	0.7
389.21860	16.7
390.22174	1.6
551.27155	100.0
552.27747	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	551.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
62.83911	23.0
70.02224	27.1
71.54049	32.7
71.54451	46.0
98.71272	24.1
102.23448	26.9
115.86982	28.7
133.06699	26.6
151.25462	24.7
163.00340	29.3
204.56123	27.2
226.60236	28.8
418.89877	26.7
491.17783	100.0
551.26526	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91372	0.5
54.37108	0.6
55.01890	3.0
56.85676	0.5
57.03458	3.1
58.00598	2.2
59.01387	50.0
60.94269	0.5
61.98821	0.9
71.01391	49.1
72.99317	3.4
73.02957	8.5
74.07639	0.6
75.00880	1.0
81.60081	0.5
83.01400	6.6
85.02961	26.0
87.00878	2.9
87.04508	0.6
89.02457	38.6
95.01399	3.6
96.96026	6.0
97.02966	1.0
98.19968	1.5
99.00906	3.6
101.02457	32.0
102.02760	0.7
107.05038	0.5
111.00877	1.3
113.02468	19.2
119.03508	15.8
121.02958	1.3
123.04571	0.6
125.02456	1.6
129.01945	2.0
131.03508	2.0
133.01472	0.7
133.02966	0.7
134.03777	3.0
134.58157	0.6
135.04539	4.0
143.03502	1.9
147.03038	0.6
149.02452	1.0
149.04518	0.9
149.06110	0.9
150.03253	4.3
159.02925	1.4
160.01648	1.0
161.00967	1.2
161.02426	0.7
161.04573	8.0
162.47954	0.5
164.13263	0.5
165.05573	5.7
170.90735	0.5
175.04034	1.5
178.02705	1.6
179.03494	1.0
179.05644	7.1
191.01979	3.6
193.05090	7.6
195.06590	4.1
209.02965	1.9
209.04683	0.6
223.15317	0.5
227.40970	0.5
285.03964	0.6
303.05139	0.9
327.13519	0.6
341.10352	0.7
365.37003	0.6
378.66962	0.6
389.13058	0.7
389.21860	16.7
390.22174	1.6
551.27155	100.0
552.27747	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	551.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
56.98701	1.1
57.03454	3.2
58.00586	1.2
59.01389	41.4
61.98827	4.5
69.03462	1.3
71.01391	34.6
71.01781	1.8
72.99328	3.3
73.02961	9.7
75.00903	5.6
75.78667	1.1
79.09151	1.0
81.03445	1.8
81.19963	1.0
83.01365	3.2
83.05100	1.2
85.02970	16.5
87.00888	7.2
89.02461	17.6
92.14291	1.3
93.03441	1.5
95.01402	2.6
95.99474	1.1
96.96043	5.8
97.06626	1.6
98.20715	2.0
99.00928	3.0
101.02450	18.8
102.76475	1.6
103.00324	1.2
110.49868	1.1
111.00899	1.8
111.08123	1.8
113.02460	17.4
117.01965	1.7
119.03512	3.8
119.05062	1.7
121.48655	1.2
125.02489	1.3
135.04507	1.7
143.03534	1.5
161.04555	3.8
163.04045	1.3
165.12877	36.3
167.14389	2.1
179.05603	3.2
183.13919	100.0
184.14253	3.6
191.01930	1.4
197.15460	10.3
205.07419	1.2
207.13950	5.1
209.11850	8.7
225.14966	5.9
227.12914	96.4
228.13251	3.7
235.13315	1.3
249.06161	4.8
251.12823	4.1
267.07242	13.1
269.14026	10.8
296.85007	1.1
299.15085	7.7
329.16113	34.3
329.23361	2.8
330.16327	2.3
341.10809	6.5
389.18243	59.6
389.25772	4.0
390.18506	4.3
465.27182	1.1
507.27954	5.1
533.33423	3.4
551.23468	64.9
551.33411	16.4
552.23944	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72235	1.5
55.01903	1.8
57.03444	5.0
59.01388	27.3
60.99314	6.3
69.48714	10.6
71.01392	17.6
71.05047	1.7
71.53271	1.7
72.99316	2.4
73.02962	3.5
83.01388	3.2
83.05016	2.1
85.02968	45.4
87.00855	2.7
88.98819	42.4
89.02458	14.6
95.01422	2.2
97.06594	2.2
101.02444	9.6
103.00394	2.0
113.02469	8.2
114.89708	1.6
119.03514	5.1
125.09772	3.2
129.01981	3.2
135.04509	1.6
146.00066	1.7
147.03017	6.8
161.04660	3.0
165.12863	13.8
168.81155	1.6
171.10248	4.9
183.13927	26.6
185.11778	2.0
191.01982	20.3
201.11467	1.7
209.03122	2.6
215.12943	6.6
227.12923	49.2
228.13208	2.7
251.12895	5.4
263.12885	1.8
293.13995	2.8
320.45261	2.0
371.24338	8.1
389.10886	13.2
389.18378	6.8
389.25446	14.0
533.30328	2.1
551.30853	100.0
552.31177	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	551.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	1.6
57.03442	5.9
59.01388	46.5
59.24720	1.4
61.98840	60.1
69.03456	1.6
71.01393	35.9
71.55222	1.3
72.99316	4.3
73.02945	5.5
75.00876	4.0
83.01406	4.4
85.02964	32.6
87.00886	4.3
89.02454	29.1
90.94375	1.2
93.03471	18.2
95.01405	5.9
96.96026	20.9
97.02963	1.7
99.00906	2.4
101.02457	22.3
113.02472	26.2
119.03526	9.4
121.02914	1.8
125.02442	2.1
128.90190	2.6
129.01942	7.3
134.03784	1.8
135.04585	2.7
137.02466	46.8
137.03532	2.3
138.15506	1.5
143.03502	3.7
147.02972	1.4
149.04585	2.7
161.04543	12.6
165.12872	28.6
167.03600	1.6
179.05627	9.5
183.13928	81.7
184.14343	2.8
191.01964	4.9
209.11864	2.7
220.67384	1.7
221.06592	1.5
227.12923	100.0
228.13223	3.6
237.15071	3.1
251.12943	2.8
263.12949	3.4
281.13968	4.0
309.04163	1.6
329.23260	1.7
339.74643	1.6
341.10925	12.2
349.19049	1.7
353.23172	2.7
371.17203	6.2
389.18365	3.5
389.25507	3.5
461.33902	1.3
491.32590	3.4
507.27774	6.8
515.17847	4.8
551.23456	48.1
551.31458	7.8
552.23700	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	551.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
59.01389	2.7
60.99298	0.5
61.98846	0.5
69.71207	0.4
69.75938	2.2
71.01385	2.4
72.99315	0.4
73.02950	1.1
75.00861	0.8
85.02975	4.0
86.21754	0.4
87.00867	0.6
88.98815	2.6
89.02471	0.7
93.03515	0.5
96.96004	1.1
99.00898	0.7
101.02443	1.1
103.00414	0.9
111.00930	0.3
113.02428	1.1
116.92927	0.4
119.05035	0.5
121.02982	3.1
122.03723	0.9
129.01941	0.5
134.03717	0.6
136.05304	0.5
137.02467	1.6
145.02966	1.4
147.04567	2.1
152.04822	0.6
160.54196	0.4
161.04599	0.8
161.05988	0.4
162.03244	0.7
163.04022	4.8
165.01974	0.7
165.05586	0.7
167.03506	0.7
173.02443	0.6
173.05981	0.4
174.03270	2.4
175.04018	14.1
176.04776	2.6
177.05568	1.3
180.04312	8.7
181.04886	0.6
188.04810	2.9
189.05605	7.0
190.06371	19.3
191.01968	1.0
191.07143	13.8
192.04225	0.7
192.07509	0.4
193.05077	8.9
194.05844	5.9
203.07156	2.7
204.91841	0.3
205.08714	17.5
206.09018	0.6
207.06659	5.1
208.07407	14.2
209.07756	0.7
222.09006	2.1
223.09720	1.4
267.07211	0.8
270.48175	0.4
284.03180	0.8
285.04114	1.7
335.42126	0.4
341.06863	0.6
344.12488	3.2
347.14871	0.5
359.15027	100.0
360.15369	7.1
389.16336	2.1
389.20831	0.6
447.09399	1.6
461.10849	0.8
491.19089	0.7
507.10599	0.8
509.20288	1.9
551.30908	2.9
562.73291	0.5
575.18829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42489	0.8
57.03450	2.8
57.89956	0.9
59.01386	18.3
61.98835	2.3
68.54996	1.0
71.01392	12.8
71.55238	1.2
72.99331	2.1
73.02959	5.2
75.00882	3.1
83.01392	2.2
85.02962	17.9
87.00888	2.5
88.40667	0.9
88.98798	7.2
89.02457	6.1
96.07161	1.0
96.96021	8.0
98.95617	2.3
99.00887	2.0
101.02474	5.6
109.02995	1.0
111.00957	1.4
113.02470	2.8
119.03532	2.1
119.05012	1.5
121.02962	2.9
123.04530	1.9
125.02489	3.4
129.01950	2.9
134.03770	2.4
135.04552	1.6
137.02422	2.3
145.02946	1.6
147.02928	1.8
147.04498	1.6
150.03252	1.2
152.01146	2.2
161.04602	1.7
163.03996	6.9
165.01974	1.3
165.05583	1.6
167.03496	4.5
174.03244	2.9
175.04012	13.1
176.04759	3.3
177.05557	1.6
177.09235	1.0
179.03506	1.1
180.04301	7.5
188.04758	1.6
189.05569	7.8
190.06389	19.7
190.52954	1.1
191.01984	4.3
191.07132	11.5
192.04274	1.3
193.05069	11.5
194.05890	5.0
203.07217	2.5
205.08716	16.4
206.09058	1.3
207.06592	6.6
208.07440	12.7
213.05257	1.2
222.08923	2.0
223.09784	2.1
246.14580	1.1
282.59662	1.0
341.06693	1.7
344.12677	2.9
352.56906	1.1
359.15027	100.0
360.15359	6.3
371.24396	1.9
377.90518	1.0
389.11429	1.2
389.16196	2.1
491.28741	1.7
494.82697	1.1
551.23236	5.8
551.30994	23.6
552.31360	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98595	2.4
65.00335	4.5
72.99319	5.3
78.95916	8.3
94.55548	3.0
96.96045	16.8
105.01949	66.5
107.10193	3.1
121.88587	2.4
132.05829	22.4
133.06583	3.1
151.00441	3.5
152.99626	3.0
157.06580	3.7
164.04816	21.0
185.06137	2.8
187.04085	3.2
187.11302	85.3
192.32791	2.7
201.05658	3.5
205.01534	3.2
215.03343	2.9
229.05066	10.0
230.05920	4.2
231.06624	9.2
243.06532	3.1
245.04482	4.0
245.08192	3.6
247.06203	6.3
255.17410	4.5
257.04568	17.9
258.05377	25.8
259.06036	3.5
261.07745	3.2
271.06119	7.5
328.44913	2.9
364.29651	2.6
407.18915	2.8
417.16812	3.6
433.16388	6.5
435.18164	8.2
445.16516	100.0
446.17014	11.1
459.18042	9.8
461.19803	5.3
463.17642	11.0
466.19598	6.9
489.19278	13.4
491.17810	10.2
492.15335	3.4
519.23840	5.2
552.19849	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04895	0.5
56.68072	0.5
59.01386	3.5
63.74298	0.5
66.80029	0.5
71.01387	3.7
71.54984	0.8
73.02971	1.0
75.00877	1.4
85.02961	6.1
87.00878	0.7
88.98788	0.7
89.02440	1.6
93.03455	1.5
95.01464	0.8
96.95982	0.7
101.02462	1.6
113.02451	1.7
119.05062	0.7
121.02982	1.2
122.03799	0.6
123.00912	1.1
128.03598	0.7
135.04552	1.0
136.05331	0.8
137.02457	2.6
139.00423	0.6
145.02979	1.8
147.04529	1.6
152.13933	0.6
153.01932	0.5
161.04549	0.9
163.04044	4.7
165.01987	0.9
167.03523	1.0
173.02438	0.8
174.03210	2.8
175.04028	12.5
176.04811	2.7
177.05530	1.7
179.03542	0.9
180.04282	7.0
188.04774	2.6
189.05598	6.4
190.06372	19.3
191.01906	1.4
191.07147	12.3
193.05075	7.3
194.05850	5.1
203.07108	2.5
205.08723	14.9
206.09068	0.9
207.06647	4.1
208.07413	13.9
222.08890	1.7
223.09804	1.8
227.07062	1.1
283.04709	0.6
344.12537	2.8
353.55536	0.6
359.15024	100.0
360.15402	7.5
389.16022	3.1
489.69464	0.6
551.13818	0.7
551.31116	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1783
Annotation	Alboside I
Peak:m/z	Relative Intensity
59.01386	5.0
69.52380	8.8
70.21989	1.3
71.01406	6.8
77.04675	1.2
85.02955	8.2
87.00871	1.6
89.02448	3.6
93.03448	1.7
95.01433	1.6
101.02449	2.7
108.25854	1.3
113.02431	4.4
117.94198	1.3
121.02974	3.8
122.03743	6.9
125.02473	1.6
132.02168	2.3
133.02950	2.6
134.03752	33.7
137.02425	5.9
139.04019	2.4
147.04559	2.7
149.02440	10.9
149.06108	9.0
150.03241	56.1
150.06564	1.3
151.03629	1.7
160.01689	15.0
161.00905	1.6
161.04607	3.1
164.04803	3.3
164.06552	1.3
165.05588	61.0
166.05888	1.8
167.03519	1.4
175.04021	17.7
176.04782	3.0
178.02725	21.7
180.04262	3.3
191.07149	4.5
193.05074	100.0
194.05371	4.2
195.04831	2.9
195.06636	46.3
233.31087	1.1
235.06143	8.7
257.19382	1.4
341.10266	6.5
355.10556	2.1
366.89450	1.3
389.12473	11.2
431.13852	2.0
435.26929	1.5
551.26776	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.0
59.01109	1.6
59.01388	19.8
61.98837	2.5
64.20974	0.9
69.20779	0.9
69.67343	5.5
71.01392	18.1
72.99312	2.1
73.02945	3.6
75.00874	3.2
76.80324	1.1
83.01385	2.2
84.87751	0.9
85.02962	16.1
87.00897	2.2
88.98811	8.1
89.02464	13.8
93.03454	2.8
95.01405	2.4
95.05060	1.3
96.96042	3.1
98.19858	1.4
99.00880	1.1
99.04578	1.8
101.02464	8.7
108.02209	0.9
109.03005	1.4
113.02462	9.7
117.56267	1.0
119.03514	4.9
121.02981	6.3
122.03740	7.9
122.08913	1.0
125.02464	1.7
127.05969	1.1
131.05193	0.9
132.02185	4.2
133.02954	3.0
134.03761	38.5
135.04385	1.9
136.01665	1.5
137.02463	7.0
139.04041	1.9
143.03455	1.2
144.89409	1.0
147.03044	1.3
147.04506	2.3
147.11810	1.1
149.02438	12.6
149.06082	11.5
150.03246	62.9
151.03690	2.4
158.59889	1.5
160.01701	15.6
163.04121	1.1
164.04797	2.5
165.05589	59.1
166.05957	1.9
167.03502	2.4
175.04018	18.8
176.04741	4.5
177.01906	1.5
178.02739	21.8
179.05597	2.8
180.04298	3.5
191.02002	2.5
191.07153	4.2
193.05070	100.0
194.05423	4.2
195.06644	51.0
196.07106	1.5
209.02982	3.1
209.11845	1.8
235.06081	8.6
248.69861	1.1
257.91003	0.9
267.06769	1.0
282.09061	2.2
295.08142	1.1
315.08621	1.0
327.99121	0.9
341.10291	6.4
355.10248	2.1
371.12183	2.0
371.17133	19.2
372.17218	1.4
389.12567	13.4
389.21695	2.7
431.13467	1.8
551.23059	8.2
551.30841	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.1
57.03205	0.8
57.03458	9.6
58.00602	0.9
59.01388	29.4
66.85573	0.7
68.99816	1.6
71.01390	29.5
71.21011	1.1
72.99316	3.2
73.02946	4.1
75.00881	3.0
83.01391	3.5
84.02187	2.9
85.02960	100.0
86.03284	1.2
87.00878	3.2
89.02457	18.6
93.76138	0.7
95.01404	2.4
96.96025	2.4
99.00876	1.7
101.02464	13.6
103.00383	1.9
109.02960	2.2
113.02465	10.5
113.56123	0.6
114.02823	0.8
115.00362	1.2
117.03479	1.8
119.03527	5.8
121.02977	2.8
122.03755	1.5
123.04563	1.1
125.02451	2.1
129.01965	7.4
131.03526	1.2
132.02245	1.2
133.01419	4.5
133.02980	2.3
134.03751	10.5
135.04547	46.8
136.04865	1.2
137.02458	2.0
141.88754	0.8
143.03535	1.9
147.03021	6.1
148.05392	0.9
149.02470	4.5
149.04611	0.7
149.06085	3.2
150.03244	13.5
159.03044	1.5
160.01648	3.4
161.02493	1.8
161.04578	7.5
164.04837	0.8
165.04211	1.4
165.05571	13.4
173.73172	0.9
175.02654	0.9
175.04065	2.6
176.04807	1.4
177.01938	4.4
178.02722	6.3
179.03519	39.6
179.05527	2.2
180.03903	1.6
181.05026	0.7
185.28374	0.7
186.84195	0.8
191.02002	51.0
191.07095	1.1
192.02454	2.1
193.05069	23.2
195.06645	10.3
205.01483	2.1
209.03040	47.2
210.03355	1.7
221.00922	1.0
227.16568	1.4
231.39554	0.7
235.06053	1.8
267.06775	0.9
282.09030	1.5
311.09760	0.8
315.08719	6.2
316.08856	0.8
329.62714	0.8
341.06680	1.7
341.10352	5.7
359.07669	10.9
360.08212	0.7
361.62817	0.7
371.06982	0.8
389.12494	5.5
389.16959	1.1
389.22073	4.3
507.89218	0.7
533.09277	2.2
551.11127	4.0
551.19476	2.0
551.27185	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	549.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.6
57.03450	1.2
58.00599	0.3
59.01384	100.0
60.01721	0.7
61.98838	0.6
69.58536	1.3
70.40231	0.2
71.01390	7.6
72.99319	0.2
73.02945	1.4
83.01400	2.1
85.02957	5.1
87.00893	0.7
89.02455	1.6
95.01397	1.4
96.96040	0.4
97.02998	0.3
98.19964	0.5
99.00872	1.1
101.02452	3.9
102.16370	0.2
111.00888	0.4
113.02457	8.2
119.03519	0.2
123.83720	0.2
125.02496	0.5
127.11345	0.7
143.03537	1.0
153.12863	0.3
159.02948	0.4
160.39247	0.2
161.04565	2.4
198.40765	0.2
281.25311	0.3
299.25980	1.4
345.30118	6.1
441.32422	0.5
459.33258	0.3
489.34366	22.3
490.34796	1.8
507.35394	7.2
508.36032	0.7
549.35919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.365
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04136	0.5
55.01889	1.3
57.03451	2.4
58.77193	0.5
59.01383	100.0
60.01711	1.2
61.98831	4.6
64.56639	0.5
69.32866	0.5
70.83329	1.2
71.01389	15.6
72.99333	0.8
73.02946	4.3
73.43732	0.5
73.55681	0.5
75.00871	0.9
78.95900	0.6
83.01405	4.5
85.02955	16.1
85.03474	0.9
87.00883	1.2
89.02468	2.0
95.01407	1.9
96.96025	1.5
97.02990	0.9
99.00904	1.9
99.54626	0.5
99.72396	0.5
101.02448	9.0
111.00903	0.8
112.01699	0.7
113.02460	7.1
115.04035	0.8
119.03497	0.6
119.05042	0.9
123.04542	0.8
125.02479	0.9
129.01981	1.8
137.02531	0.7
143.03543	2.1
159.03052	1.1
161.04536	3.0
163.03972	1.1
171.13858	1.1
179.70886	0.5
191.01941	3.3
207.10370	0.7
209.03140	0.9
212.99965	0.6
245.73125	0.5
281.24969	0.5
299.26007	3.1
313.20633	0.5
339.39337	0.5
345.30002	9.7
429.25446	0.7
489.34344	46.5
490.34698	4.9
507.35373	22.3
508.36295	1.7
549.36816	1.5
551.69519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	0.1
58.28408	0.1
59.01382	0.3
60.75271	0.1
71.01388	0.4
78.95914	1.2
79.95747	2.7
81.82975	0.1
85.02950	0.6
87.70010	0.1
89.02488	0.2
96.96024	100.0
97.95939	0.3
98.20650	0.3
101.11911	0.1
116.92861	1.0
151.25238	0.1
191.02049	0.2
197.54610	0.1
209.03055	0.4
300.02844	0.3
358.32526	0.2
505.09970	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87299	1.0
56.57367	1.0
68.99825	2.7
71.54314	1.3
74.42851	1.2
83.01402	3.3
84.99982	1.2
89.70008	1.1
91.01913	3.8
95.01450	1.2
110.00098	6.5
117.96880	1.1
121.02971	1.9
123.00908	3.8
124.01711	1.6
132.05829	2.4
133.06604	2.9
135.04556	1.7
135.08151	2.2
136.01665	2.1
137.99617	5.3
149.02437	1.2
151.00401	5.0
152.01180	5.6
153.01974	1.2
163.00395	8.2
163.04048	9.0
164.01117	1.4
165.01949	4.7
165.99092	1.8
177.01981	1.3
177.05582	3.2
177.41270	1.1
178.06351	6.9
178.99898	1.4
179.07158	2.7
187.11273	7.8
190.99924	3.2
191.03497	7.0
191.07162	3.9
192.07898	2.0
205.05113	9.1
206.05853	4.7
206.58386	1.1
207.06625	16.0
208.03000	1.2
219.06667	10.0
220.07370	10.7
221.08147	4.6
234.05341	29.1
235.06136	32.3
236.06633	2.1
245.92761	1.3
247.06122	1.4
248.06912	23.1
261.07693	1.6
279.84247	1.1
351.12646	1.4
363.82172	1.2
379.11829	4.2
394.18118	1.4
408.83099	1.3
422.17361	90.3
423.17645	6.9
480.13345	11.1
491.24420	100.0
492.24689	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	549.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80865	0.5
55.01879	3.4
55.57154	0.5
57.03461	7.8
58.00602	4.2
59.01386	100.0
60.01721	0.8
68.99844	0.5
69.97832	2.3
71.01391	75.5
72.01720	0.5
72.99314	6.0
73.02952	5.4
74.00142	0.5
75.00880	2.3
75.49541	0.5
83.01388	5.2
83.22661	0.6
84.02197	1.1
85.02960	63.5
86.03297	1.1
87.00883	7.0
89.02454	81.6
90.02778	0.7
93.03486	0.6
95.01389	4.8
96.23538	0.4
96.96033	2.7
97.02979	1.3
98.82893	0.5
99.00917	2.3
101.02453	46.2
102.02800	0.5
103.00400	0.6
104.51526	0.5
108.02161	0.6
109.02966	1.0
111.00911	1.3
113.02459	31.7
115.00396	1.2
119.03517	38.4
119.05023	2.5
120.82220	0.5
121.02983	1.2
121.35051	0.5
123.00904	0.6
123.04494	0.6
125.02454	1.6
125.06114	1.9
129.01962	5.3
131.03506	4.1
132.91740	0.5
133.01491	1.3
134.03773	2.9
135.04544	1.8
136.65071	0.5
137.09750	2.0
140.86679	0.5
143.03523	6.4
143.04984	1.0
147.03026	8.3
149.04605	3.1
149.06155	0.6
149.09743	0.6
151.04051	0.9
153.01921	1.1
153.09248	1.0
158.03676	0.6
159.02896	0.7
161.04578	13.5
163.04071	0.6
166.06302	0.5
166.58400	0.5
175.02502	0.5
179.05626	18.6
181.08806	0.7
189.12891	1.0
191.01991	19.5
192.02406	0.7
195.06662	1.0
207.05046	1.5
207.13922	0.6
209.03053	11.1
209.04956	1.0
221.08257	2.6
225.07713	1.4
225.15036	1.3
233.08237	0.8
251.07002	1.0
251.09517	0.6
252.07983	0.7
253.08710	1.2
263.09344	2.8
266.08051	0.9
280.07373	0.7
295.09784	0.9
313.11008	0.9
323.11301	0.9
341.12424	2.0
345.24576	0.6
357.09818	12.3
358.10117	0.8
369.19272	1.9
387.20297	8.2
411.12778	0.9
429.14127	5.5
430.14352	1.1
473.26236	0.5
549.18201	8.6
549.25677	53.5
550.19012	0.8
550.26208	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48570	0.9
55.01902	1.1
57.03451	3.5
59.01385	20.5
61.98837	3.1
71.01385	10.3
71.05013	1.1
72.99316	1.3
73.02958	6.9
75.00883	3.5
78.38432	1.0
83.01395	2.8
83.05051	1.1
85.02961	17.6
87.00892	1.9
89.02434	6.0
96.96030	20.9
98.19865	2.2
99.00905	3.0
99.04543	1.0
101.02456	10.0
108.02186	1.4
109.02980	3.3
111.00873	1.6
111.08186	1.4
113.02462	6.0
116.92879	1.2
119.03538	2.9
119.05022	1.3
121.02973	4.3
123.00888	2.3
125.02473	1.8
125.09783	1.9
129.01932	1.7
131.03534	1.3
134.03775	1.7
136.01677	47.2
137.02502	8.8
147.02962	1.3
149.02434	1.3
149.06169	1.2
151.00378	6.8
151.04027	64.1
152.01077	1.1
152.04753	1.5
161.02452	1.8
161.04617	1.5
162.03333	1.0
163.04048	2.1
165.01906	1.6
165.05574	1.5
166.02740	29.6
167.03494	2.2
167.97572	1.0
171.10306	2.7
175.04041	1.2
177.01973	1.7
177.05568	1.8
179.03482	1.7
181.05083	34.8
182.05466	1.0
189.05452	1.4
191.02031	4.9
195.02977	1.2
205.05136	1.2
205.08896	1.3
267.99783	1.2
281.17688	2.8
309.20718	2.0
325.16644	1.5
327.12531	2.2
327.21893	2.2
329.10437	2.8
339.08640	2.3
357.09830	12.4
369.13571	2.4
369.22986	5.0
372.12128	7.6
387.14517	100.0
387.24075	7.5
388.14847	8.6
417.21466	3.3
422.27731	1.0
441.06085	1.1
447.11157	1.1
549.29327	67.1
550.30084	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	549.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91619	0.9
57.03455	3.1
59.01384	18.3
60.99323	0.9
61.98822	2.4
69.03474	1.8
69.37633	7.4
71.01382	13.3
72.99343	1.5
73.02950	5.2
75.00903	3.1
81.99206	1.2
83.01427	1.7
85.02958	15.8
87.00916	3.4
89.02449	5.1
89.93661	1.1
95.05047	1.1
96.96030	10.8
99.00901	2.4
101.02453	5.9
104.03584	1.0
109.02999	1.6
113.02446	5.5
116.92853	1.5
119.03542	1.5
121.02988	1.7
123.00906	1.4
123.08202	1.6
129.02011	1.9
136.01680	42.0
137.02481	7.7
137.09769	1.5
151.00414	8.2
151.04024	49.8
152.01180	1.7
152.04680	1.6
161.04620	1.2
162.03261	1.5
163.04037	2.1
166.02737	24.1
167.03465	2.6
171.10376	2.5
177.01913	2.3
179.03612	1.1
179.07179	1.3
181.05077	31.0
181.06578	1.8
191.02025	3.7
192.04420	1.3
205.08838	1.1
219.19351	1.2
281.17780	1.9
299.18909	1.3
327.12488	1.2
329.10202	2.0
339.08673	1.4
341.14102	1.5
351.22290	1.4
357.09845	14.2
368.14413	1.1
369.13486	1.9
369.22818	5.2
372.12253	6.8
382.07193	1.2
387.14529	100.0
387.24118	7.1
388.14713	8.1
417.21677	3.6
549.29456	65.0
550.30566	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	549.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
57.03450	12.7
59.01385	15.9
68.99836	1.4
69.38888	8.4
71.01389	11.6
72.99311	2.8
73.02958	1.1
74.95651	0.9
75.00889	6.7
82.09709	1.0
82.92577	1.0
83.01394	3.4
84.02167	2.4
85.02963	100.0
86.03263	1.3
87.00864	3.9
88.75232	1.1
89.02448	5.9
91.01878	1.8
93.03458	3.7
95.01354	1.5
96.96011	4.6
96.99327	2.1
98.95594	3.1
99.00883	2.8
101.02469	1.9
103.00379	2.9
107.62712	1.0
111.00895	1.8
111.40381	1.2
113.02452	8.7
115.00401	2.6
117.03442	1.1
118.81025	1.1
119.05021	5.9
123.04533	5.1
125.02415	1.4
128.03465	1.4
129.01958	10.6
131.04977	1.2
133.02995	1.7
134.03749	7.3
135.04555	1.7
143.05013	5.2
145.02933	1.7
146.03741	1.9
147.03061	10.2
147.04259	1.6
151.04010	4.2
158.03735	2.0
159.04504	4.2
160.63713	1.2
163.04030	6.4
165.05612	1.8
166.06403	1.8
173.06161	1.4
179.07169	1.8
191.02005	58.8
193.05099	2.7
209.03058	20.8
225.07683	7.1
226.06271	1.4
241.08731	2.6
247.01678	1.3
249.06125	5.9
251.07147	7.8
252.07800	3.4
253.08649	2.3
254.09496	1.8
267.07294	1.8
267.10077	1.2
279.06738	2.4
280.07407	8.3
295.09781	6.2
299.11401	5.5
324.06226	1.6
339.08682	3.1
357.09833	73.7
358.10193	3.6
368.40686	1.2
459.09671	1.4
549.17761	18.4
557.44342	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87261	1.1
55.30170	1.0
57.03446	3.0
59.01386	18.7
64.68455	1.0
67.01885	1.1
68.22363	1.1
68.53319	1.2
68.76602	1.0
68.99815	1.5
69.03458	2.1
69.54451	5.6
71.01391	21.3
72.99316	5.8
73.02928	1.8
75.00881	14.8
77.93490	1.1
78.67233	1.1
83.01373	1.3
85.02960	29.6
87.00895	6.5
89.02468	3.9
91.04021	1.4
91.38052	1.0
93.03469	53.9
95.01391	5.8
96.96014	1.9
97.02959	1.0
98.20629	2.2
99.00893	15.9
103.00423	2.9
107.95525	1.1
109.02953	2.2
111.00920	1.0
113.02467	23.1
115.00362	2.1
117.01937	2.7
129.01968	4.2
137.02464	95.1
138.02727	1.4
139.00409	1.5
147.04575	1.7
157.01437	1.8
164.07120	2.4
175.02563	1.1
179.03490	1.2
191.01996	2.9
206.26578	1.1
209.02971	4.2
211.06149	11.1
231.05113	3.9
249.06184	42.4
267.07230	25.5
369.08304	9.6
387.09363	85.4
388.09680	3.6
429.10403	2.9
466.87479	1.2
532.11731	1.2
538.88348	1.2
549.14691	100.0
550.14972	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	549.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07914	1.2
52.52166	1.4
53.20077	1.4
55.01875	2.6
55.13028	1.4
56.82244	1.4
57.03459	13.6
58.00592	1.6
59.01387	28.5
61.98816	1.5
65.03934	1.5
71.01392	28.8
71.53806	1.8
72.99308	3.5
73.02927	4.3
75.00882	8.2
81.03455	2.8
83.01362	3.9
84.02155	3.5
85.02962	100.0
86.03294	1.9
87.00850	5.2
89.02464	17.7
91.01897	2.0
91.05589	1.4
93.03445	5.0
95.01391	2.1
96.96040	7.0
97.02932	4.4
99.00847	2.6
101.02448	11.5
103.00369	2.5
108.02158	2.3
109.02908	6.4
111.00878	2.4
111.04470	1.8
113.02428	7.4
115.00402	1.8
119.03461	6.3
119.05016	3.3
121.02942	3.7
123.00872	1.7
123.04460	4.6
125.02396	6.0
125.06101	13.8
129.01918	8.1
133.01382	4.1
133.02763	1.4
134.03659	4.4
135.04462	2.7
137.02379	5.4
139.03996	3.4
143.04997	3.2
147.02991	7.5
147.84995	1.3
151.04045	1.7
153.01898	4.5
158.03703	1.8
159.04402	1.6
161.04497	3.4
163.03975	2.8
165.02013	1.8
167.03499	1.9
177.01816	1.6
179.03380	2.4
179.05545	4.2
181.08670	3.4
191.00282	2.6
191.01997	38.4
192.07735	1.7
193.04980	1.7
193.08598	5.2
195.06683	9.3
207.04964	8.7
207.06650	2.9
207.10147	2.3
209.03053	54.9
209.08145	6.3
220.07256	2.3
221.08217	24.1
222.08574	2.2
225.07635	6.8
229.08687	1.7
233.08249	7.0
234.08713	2.1
235.09624	5.0
237.07652	3.3
238.08333	3.8
239.09186	2.9
249.07753	1.9
250.08371	2.1
251.06883	4.1
251.09253	2.8
261.07568	5.5
263.09280	30.1
266.07751	6.3
268.05249	1.7
279.08740	2.5
280.07379	1.8
291.08606	3.9
295.09976	2.7
303.06927	2.3
316.03131	1.4
323.11145	6.5
341.08533	2.2
341.12408	20.4
357.05576	2.1
357.09830	27.8
381.11560	2.0
399.12469	2.2
411.12851	10.3
423.12421	2.5
429.14001	47.3
430.14011	3.4
470.56186	1.5
531.16943	2.9
549.17999	79.6
550.18005	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	549.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.4
57.03204	1.0
57.03460	14.0
59.01383	8.8
61.98832	1.5
69.43123	2.3
69.43545	3.4
71.01395	7.2
72.99324	0.9
75.00861	4.5
83.01398	2.2
84.02177	3.1
85.02963	100.0
85.37925	0.8
86.03307	1.1
87.00895	1.8
89.02460	2.9
91.01902	2.9
93.03477	4.5
96.99333	4.6
101.02467	1.6
103.00394	2.0
111.00906	1.0
113.02438	2.2
115.00394	1.3
117.03490	1.9
119.05045	10.1
123.04546	5.6
127.47392	0.8
129.01968	11.4
131.05052	2.5
133.01385	1.2
133.02972	1.9
134.03752	8.8
136.80518	0.8
143.05046	9.3
145.02933	1.4
146.03743	2.8
147.03024	12.6
147.04218	1.4
149.06094	1.3
158.03732	2.4
159.04550	4.6
160.01756	1.0
161.06015	2.0
163.04016	7.7
173.06122	2.0
191.02008	61.3
192.02332	1.2
193.05109	3.5
209.03014	11.6
226.06409	2.3
235.07602	1.7
241.08653	3.2
241.41985	0.8
251.07208	9.3
252.07826	5.2
253.08781	2.3
254.09451	2.2
267.10504	1.1
279.06631	4.5
280.07474	11.2
281.07803	1.0
293.64133	0.8
295.09763	6.9
313.10895	1.4
324.06326	1.2
339.08853	3.3
357.09827	91.9
358.10117	4.1
519.27875	1.0
549.12244	1.6
549.21497	4.6
569.57733	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58543	0.3
57.03454	0.7
59.01388	28.8
60.01720	0.7
60.38937	0.3
61.98838	100.0
69.59271	0.6
69.59668	1.8
71.01395	4.2
72.99321	0.5
73.02971	1.0
74.02488	1.1
83.01432	0.5
85.02962	2.6
89.02461	1.0
95.01413	0.4
96.96016	0.5
99.00903	0.6
101.02444	2.4
107.78069	0.3
113.02449	2.0
114.02831	0.4
119.03494	0.3
125.02487	0.3
143.03488	0.5
159.37640	0.3
161.04604	1.2
173.32272	0.3
191.02017	0.5
193.96886	0.3
207.10329	0.5
209.03117	0.6
217.06569	0.5
230.18246	0.3
305.86713	0.4
333.97055	0.3
351.12469	0.4
399.24142	1.5
441.24847	2.0
488.33167	2.3
489.34473	1.0
504.28555	0.9
506.34500	1.0
507.35571	0.5
548.31854	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.4
70.18448	1.0
77.03967	2.0
93.03487	0.5
95.29946	0.3
98.20604	0.3
101.40435	0.3
113.15150	0.3
119.05024	0.5
121.02968	100.0
122.03304	2.2
137.02449	0.5
143.46082	0.3
147.04570	0.3
152.69061	0.3
153.12918	0.2
165.01941	54.5
166.02263	0.9
167.61893	0.2
180.05820	0.7
181.06599	2.6
197.06067	2.5
207.04521	0.7
207.08232	0.4
225.05612	1.5
257.09695	0.6
313.07224	1.4
355.13229	0.4
357.06256	0.9
373.11298	0.3
383.08072	0.6
407.18045	0.3
417.09830	2.2
489.17551	0.3
505.11377	1.8
549.10431	27.5
550.10809	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	549.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.4
57.03460	10.6
57.46494	1.2
58.00590	2.1
59.01384	63.0
63.12640	1.5
68.99819	2.1
70.00379	5.0
71.01388	51.4
72.99310	5.0
73.02951	4.0
74.49651	1.2
75.00861	4.1
78.65493	1.2
81.03469	1.4
83.01401	4.8
83.47127	1.3
84.02193	2.0
85.02960	100.0
86.03288	2.1
87.00892	4.6
89.02454	53.1
93.03478	2.5
95.01374	3.6
96.96014	2.7
97.02938	2.5
97.63141	1.3
99.00866	2.2
101.01809	2.0
101.02450	27.3
101.06044	1.4
103.00374	1.7
104.32462	1.3
108.02191	1.7
109.02943	2.3
110.72469	1.3
111.00852	2.4
111.04564	1.3
113.02460	17.3
115.00336	1.4
118.85711	1.3
119.02775	1.9
119.03522	20.1
119.05019	2.5
121.03019	2.2
123.04489	2.0
125.02441	3.8
125.06100	11.0
129.01961	6.8
131.03471	2.9
133.01501	6.3
134.03754	1.9
135.04498	1.3
137.02484	2.3
143.03493	5.9
147.03033	8.6
148.24002	1.6
149.04549	1.5
151.04030	2.0
151.98064	1.4
153.01981	3.5
159.02971	1.7
161.04587	8.8
163.03969	3.6
167.03511	2.0
177.01872	1.7
179.04019	1.9
179.05591	9.4
181.08662	4.0
189.12814	1.3
191.01994	29.3
193.05130	1.5
193.08705	3.9
195.06654	7.3
207.05063	7.1
207.10133	1.3
209.03038	70.3
209.08173	4.6
210.03380	2.0
221.08232	18.4
223.09744	1.3
224.06837	1.6
225.07698	3.7
233.08179	6.2
235.09807	1.4
237.07716	2.5
238.08427	3.3
249.07780	2.3
251.09302	2.6
261.07703	2.5
263.09241	17.0
266.07932	4.6
274.81845	1.2
279.09000	1.8
280.07401	2.2
291.08926	2.3
303.07144	1.5
323.11337	3.8
341.12457	11.8
357.09866	13.7
387.20169	3.5
393.11893	2.8
399.12863	1.7
411.12936	5.7
423.12781	1.8
429.14047	35.0
430.14279	1.8
520.03149	1.3
549.18121	50.2
549.25629	36.1
550.18457	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	547.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43138	0.2
55.01891	0.6
57.03462	1.5
58.00605	0.2
59.01386	100.0
60.01728	0.5
61.98848	0.6
63.35111	0.2
69.03479	0.4
71.01392	13.1
72.99319	0.5
73.02955	3.1
75.00883	0.6
81.03471	0.2
83.01396	2.8
84.02174	0.3
85.02958	9.0
87.00908	1.0
89.02454	3.0
95.01398	2.6
95.86423	0.2
97.02984	0.9
97.06629	0.2
99.00890	1.9
101.02454	6.8
107.42096	0.2
111.00912	0.5
112.01671	0.3
113.02465	18.0
115.04001	0.3
119.03526	0.9
124.01685	0.3
125.02477	1.5
127.11267	1.1
135.11803	0.3
138.47289	0.2
143.03510	2.4
149.13412	0.8
159.03058	0.5
161.04575	4.6
161.13419	0.8
165.90712	0.3
179.05684	0.3
289.25500	0.3
293.20319	0.2
311.21866	0.4
313.27637	0.3
325.27692	0.4
327.87396	0.2
343.28555	3.5
343.32291	0.4
385.29825	0.8
413.29141	0.4
439.30902	0.3
457.31866	0.7
487.32800	28.1
488.33075	2.4
505.33813	7.9
505.40927	0.4
506.34427	0.6
547.35730	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
57.03448	1.6
58.00589	0.5
59.01384	100.0
60.01718	0.7
61.98838	1.8
68.99844	0.5
69.03465	0.7
71.01389	16.1
71.54060	0.4
72.99331	0.7
73.02954	4.9
75.00878	0.4
83.01391	4.6
85.02958	11.7
86.00103	0.8
87.00894	1.8
89.02459	2.1
93.07097	0.8
95.01404	1.7
96.96036	0.5
97.02969	0.9
99.00877	2.6
101.02450	11.6
111.00887	1.5
112.01669	0.3
113.02457	8.3
115.04035	0.5
119.03525	0.9
119.05002	0.4
125.02462	1.8
129.01971	0.5
143.03494	2.5
143.10815	0.4
157.12408	0.8
159.03015	1.4
161.04547	5.1
171.13992	1.2
179.05637	0.4
183.13902	0.7
191.01993	0.6
209.03159	0.8
213.18637	0.9
227.12875	0.9
245.13907	0.6
311.22430	0.4
315.18228	1.0
325.27744	1.1
333.19308	1.4
343.28537	3.3
357.22937	1.4
375.23950	2.4
428.29163	0.3
439.30972	0.5
451.31064	0.3
457.31995	0.8
469.31940	0.5
478.69144	0.3
487.32782	32.0
488.33078	3.0
505.33850	18.1
506.34787	1.5
547.35101	1.0
562.68286	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	12.3
59.01380	83.7
61.98824	22.2
65.47917	11.3
69.22614	100.0
69.23022	26.3
71.01397	25.3
78.95930	19.0
85.02983	57.3
96.96984	14.2
101.02435	20.6
103.39481	10.6
113.02483	15.1
144.85350	11.9
182.94041	12.2
209.11816	36.5
211.13335	13.3
215.23157	9.7
311.22171	54.4
487.32800	15.5
547.27167	43.2
569.31079	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	547.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20605	0.5
51.76872	0.5
54.18296	0.5
54.68273	0.5
55.01892	1.1
57.03460	2.0
59.01387	100.0
60.01703	0.8
61.98829	4.6
69.03469	1.0
70.84341	0.6
71.01389	17.4
71.54282	0.6
71.54750	0.6
72.99313	1.0
73.02962	5.0
75.00900	1.5
80.01987	0.5
83.01398	4.0
85.02959	13.9
87.00909	1.2
89.02454	3.9
95.01413	2.2
96.96034	1.9
97.02982	1.3
98.95578	0.7
99.00897	2.9
101.02452	12.2
101.06127	0.5
110.74172	0.5
111.00900	0.6
113.02460	11.9
115.04059	0.9
119.03539	1.1
125.02481	3.4
129.02007	0.6
135.28062	0.5
143.03548	3.5
149.13402	1.1
157.12408	3.0
158.06761	0.6
159.03081	1.2
161.04565	5.7
177.36838	0.7
180.15123	0.7
182.17386	0.6
185.15553	0.6
191.02118	1.2
209.03133	1.9
255.03113	0.6
325.27429	0.9
343.28516	5.2
385.13019	0.6
385.29987	0.8
401.29059	0.8
466.41745	0.6
487.32816	28.7
488.33228	3.0
505.33957	13.6
505.41199	1.1
506.34320	1.8
547.35822	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
57.40001	0.6
59.01372	3.3
68.99817	0.9
69.03455	0.9
69.55304	4.5
71.01381	3.0
73.02946	1.1
74.39454	0.7
81.03458	8.0
82.95390	1.0
83.01393	6.9
85.02972	3.7
91.83754	0.7
93.03465	2.1
93.85428	0.6
95.01399	2.8
95.05057	5.5
96.84624	0.7
96.96021	2.5
97.02938	3.8
99.04518	2.4
101.02457	1.5
107.05005	1.7
109.02939	2.5
109.06634	1.1
111.00885	1.2
111.04510	2.8
113.02437	2.2
113.06055	0.6
113.09727	1.4
115.07654	2.0
119.05032	1.9
121.02959	2.6
122.03710	0.8
123.04527	8.5
125.02454	8.8
135.04549	1.7
137.02469	3.5
137.06076	2.7
137.09723	1.0
139.04041	4.0
139.07672	9.8
141.09259	1.0
147.04558	1.1
149.02507	1.6
151.04027	2.7
151.11310	0.8
153.05560	1.3
155.10843	0.8
163.04022	1.7
165.01903	1.2
165.05556	3.4
166.02736	1.0
167.03500	18.5
176.76843	0.7
177.09268	1.1
178.10027	1.1
179.03481	4.4
179.07123	0.7
179.10782	8.7
181.05031	1.6
181.08681	0.9
191.03519	1.4
191.10793	1.4
193.04999	1.5
193.12314	3.0
195.10338	3.2
197.04558	4.4
197.11812	1.0
207.10335	0.8
209.04576	20.3
219.10341	1.9
221.04607	1.1
221.08200	1.8
221.11830	1.2
223.06143	1.1
223.09782	9.4
233.11823	0.9
235.09686	4.1
235.13463	0.9
237.11320	1.0
239.05638	8.6
247.09721	0.9
249.11279	3.9
251.05495	0.9
263.12991	1.2
265.10855	20.8
266.11307	0.7
269.06705	2.2
275.09116	1.1
277.10803	9.4
279.12430	0.8
289.10779	1.4
291.12466	2.5
295.11890	6.7
304.09744	1.1
307.11887	100.0
308.12341	5.4
319.11884	6.2
321.13541	0.9
337.12955	72.9
338.13428	4.1
349.12839	3.3
367.13977	22.3
368.14304	1.2
379.14166	1.6
391.13916	1.4
409.15076	8.7
421.14346	0.8
427.16022	15.0
439.15924	5.3
457.17300	1.6
511.17825	0.9
529.19336	1.7
547.20343	10.7
547.28351	1.3
548.20551	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.9
57.03455	11.0
58.00625	0.6
59.01385	9.0
62.44598	0.5
64.25220	0.6
68.99818	0.8
69.34009	3.6
71.01392	6.7
72.99323	1.3
73.02975	0.8
75.00878	1.6
80.29898	0.4
82.95429	0.6
83.01403	2.4
84.02178	2.2
85.02963	100.0
85.36746	0.5
86.03296	1.4
87.00877	2.7
89.02465	2.4
96.96027	6.5
97.02951	0.5
98.95601	2.2
99.00920	1.0
101.02476	1.3
103.00363	1.3
109.02930	0.8
110.78849	0.6
111.00921	1.3
113.02438	1.1
115.00349	0.6
117.03458	0.5
121.02978	0.6
125.02448	0.9
125.06096	1.1
129.01968	9.7
130.14511	0.5
133.01437	1.4
134.03770	3.8
135.04539	4.4
137.02489	0.6
147.03014	11.6
160.01683	1.3
161.02441	0.8
163.04175	1.0
173.00922	1.9
175.02603	0.6
175.04088	1.3
179.03516	2.2
179.10796	0.6
191.02005	67.2
192.02357	1.6
193.05081	2.7
193.08670	0.7
209.01022	1.1
209.03043	23.1
247.46967	0.6
249.11301	0.5
294.83218	0.5
301.05881	0.6
323.07797	1.4
353.05933	1.6
367.06628	1.4
371.06378	1.8
383.08002	0.6
385.07816	11.7
386.08319	0.7
393.31216	0.6
547.15894	4.7
547.23889	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.1
57.27659	1.1
59.01382	59.8
61.98840	6.3
61.99113	1.1
63.58486	1.1
69.93859	3.7
71.01384	30.2
72.99331	3.2
73.02955	16.8
75.00874	2.6
75.99561	1.0
83.01394	3.0
85.02956	35.0
87.00904	2.3
88.98840	1.5
89.02448	30.0
93.03475	2.1
95.01404	4.0
96.37982	1.3
96.96020	24.7
96.96664	1.7
96.96944	2.5
98.95609	2.1
99.00887	56.0
101.02450	8.7
111.08166	1.9
113.02454	30.7
119.03493	2.2
119.04994	1.6
125.06100	1.9
129.01973	3.3
131.03555	8.2
134.03773	1.3
135.04547	7.5
143.03471	2.0
147.03024	2.2
149.04561	39.7
161.04553	15.7
163.04073	1.3
163.11308	6.0
165.01891	3.0
165.12852	85.7
166.13188	3.1
179.03445	5.7
179.07117	1.7
189.12784	1.9
191.01999	11.3
191.05632	25.8
191.10774	4.1
209.03024	13.7
209.11839	100.0
210.12228	4.3
233.06674	13.1
233.11761	2.1
235.09784	4.5
253.10817	93.5
254.11162	5.2
271.02695	1.3
283.06204	6.3
293.08740	6.0
295.11884	5.8
299.05646	5.2
311.09915	2.3
325.12973	4.0
341.08841	1.4
367.14050	3.4
385.15042	4.6
427.16110	16.7
434.55032	1.4
529.19110	5.2
547.20465	62.1
547.29712	2.1
548.20929	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	547.11
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68776	0.6
53.90579	0.6
55.01883	1.5
56.72114	0.7
56.92070	0.5
57.03455	12.0
59.01384	7.9
59.14209	0.6
68.99843	0.7
69.33118	4.7
70.60867	0.5
71.01397	6.0
75.00876	1.5
81.95348	0.7
83.01402	2.1
84.01740	0.6
84.02164	2.7
85.02959	100.0
86.03293	1.3
87.00877	2.9
89.02451	2.6
96.96025	23.8
97.95949	0.8
98.95604	14.3
98.96441	2.3
101.02451	1.0
103.00383	1.6
113.02453	0.8
116.92879	1.6
119.03568	1.0
129.01962	6.8
131.42754	0.6
133.01454	2.1
134.03740	3.1
135.04567	5.8
136.01686	0.9
143.05101	0.7
147.03021	11.3
151.04005	0.7
160.01649	1.6
161.09772	0.7
173.00902	0.6
175.02516	0.9
175.03987	1.2
179.03506	1.1
179.10806	0.9
188.97098	0.6
191.01993	63.0
192.02347	1.2
193.05069	2.2
209.03040	39.1
339.37549	0.6
343.11813	1.2
353.05804	0.8
357.38663	0.6
367.06537	1.5
371.05984	0.9
383.07736	1.0
385.07864	8.1
542.38855	0.6
547.14758	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	547.11
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80832	0.7
55.01875	2.7
57.03459	11.6
58.00610	0.9
59.01386	16.9
60.99307	1.6
61.98835	0.8
68.99846	1.0
71.01394	10.4
72.99315	2.9
73.02969	1.9
74.96114	0.6
75.00884	2.5
83.01382	2.6
84.02176	2.3
85.02961	100.0
86.03298	1.4
87.00874	4.2
88.98814	12.7
89.02457	5.5
95.01421	1.0
96.96019	6.4
99.00873	1.7
101.02454	3.0
103.00398	2.6
111.00896	1.5
113.02461	3.0
119.03487	0.7
129.01964	12.5
133.01472	2.3
134.03732	4.0
135.03038	1.0
135.04565	5.2
136.01703	1.1
147.03036	12.8
149.04622	0.9
160.01637	2.0
161.02432	0.7
161.04605	0.7
165.04218	0.8
173.00978	1.7
175.04015	1.4
179.03499	2.5
191.01997	68.2
193.05080	2.0
209.03049	41.5
210.03294	0.9
249.06042	2.0
297.17139	0.8
323.07721	1.4
343.11975	2.4
347.24307	1.2
353.05151	1.4
367.06729	2.2
371.06152	1.5
372.09454	0.9
373.11176	0.7
385.07813	8.2
415.19382	0.9
437.00079	0.8
441.58713	0.7
506.60767	0.7
529.68610	0.9
547.24341	5.3
548.14447	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99475	0.4
52.32875	0.5
55.01877	2.5
57.03457	13.5
59.01385	7.6
68.99809	0.5
69.37525	4.7
71.01387	5.0
72.99302	0.8
75.00868	0.9
83.01400	2.0
84.02178	2.0
85.02961	100.0
86.03318	0.7
87.00883	2.5
89.02454	1.6
89.03093	0.5
96.96028	2.8
98.19904	1.0
98.95607	2.3
98.96444	0.5
101.02474	0.8
103.00371	1.7
111.00906	0.9
113.02494	0.6
115.00382	3.0
117.03491	1.2
126.01656	0.6
129.01976	7.7
133.01405	0.7
133.03056	0.5
134.03755	4.2
135.04523	5.2
143.51903	0.6
147.03017	12.7
149.06097	0.5
160.01689	1.2
160.25230	0.6
161.02463	1.1
172.41862	0.6
173.00983	1.4
175.02489	5.2
175.03946	1.0
179.03502	1.7
191.01994	62.3
192.02280	1.1
193.05069	2.3
209.03038	16.8
210.03461	0.6
251.73775	0.6
271.08856	0.6
283.06027	1.7
295.06128	0.6
311.05676	2.0
320.09030	1.1
339.04803	0.8
341.06516	0.8
351.05045	1.4
367.06787	1.8
369.54816	0.6
371.06387	0.7
385.07773	9.8
431.09836	0.8
471.09418	2.4
515.08197	2.2
547.10632	5.0
547.24072	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96990	1.6
53.91106	1.7
57.03473	2.8
59.01387	100.0
62.45871	1.6
63.09264	1.5
66.45311	1.6
71.05019	6.2
71.54441	2.2
78.95918	3.7
82.64605	1.6
85.02961	2.0
90.86835	1.8
101.06073	12.9
106.57503	1.6
116.67043	1.9
119.05019	2.5
141.12900	4.1
152.99564	2.3
155.14427	3.5
179.64212	1.9
199.17096	3.6
241.18108	11.1
259.19116	10.0
284.95453	1.9
301.20193	21.7
303.21808	16.3
527.39532	25.1
545.40680	61.5
546.40967	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	545.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09382	0.6
51.82318	0.6
56.69691	0.6
57.03458	1.5
59.01385	100.0
59.24648	0.5
69.57217	4.0
71.05037	4.9
83.05041	2.8
85.02980	1.4
87.04541	0.8
98.20723	1.1
99.04503	1.2
99.71426	0.6
101.06095	18.2
113.09746	0.9
113.17018	0.7
141.12878	5.0
155.14447	1.4
155.91238	0.6
157.12386	1.1
167.14369	1.1
169.16000	4.3
179.14429	0.7
181.16064	0.8
183.17580	0.8
185.15494	0.9
191.53737	0.6
195.17636	1.3
197.15427	0.7
197.19196	0.7
199.17075	1.5
201.11385	1.1
209.18988	0.7
213.14764	0.7
215.16499	0.8
227.20193	1.7
229.14462	0.8
231.16025	0.9
234.09258	0.7
241.18144	7.7
241.21826	1.0
243.19704	1.3
245.10284	1.2
247.15622	0.7
257.17566	8.2
259.19138	11.4
269.21219	2.3
275.18689	6.2
285.20718	3.9
287.22336	14.1
288.22708	1.1
301.20279	5.3
303.21799	32.7
304.22272	1.8
315.25455	0.9
317.19791	4.7
331.24991	1.8
527.39545	11.1
528.40283	1.4
545.40643	28.2
546.40826	3.1
570.97443	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	2.1
59.01387	100.0
60.01732	1.4
69.03476	1.0
69.94895	1.0
71.05034	5.8
79.18761	0.8
83.05040	2.5
88.88290	0.9
101.06091	19.8
127.11303	3.1
141.12869	3.8
155.14346	1.2
167.14345	1.6
198.29562	1.1
199.17041	2.4
229.45706	1.2
235.17761	1.0
241.18114	12.2
243.19629	2.1
257.17572	1.7
259.19125	9.8
273.17087	1.5
275.18680	3.4
285.20804	3.8
287.22211	2.7
301.20264	24.4
303.21841	15.2
329.23212	1.6
377.45889	1.0
381.18958	1.0
527.39594	25.8
528.39917	1.7
534.82550	1.1
545.40619	59.9
546.40918	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94408	1.2
57.03453	2.8
59.01385	100.0
64.82413	1.1
66.16125	1.3
69.32199	1.0
72.56654	1.3
74.94110	1.2
82.55259	1.2
83.05050	4.7
85.06597	6.0
96.96004	3.0
113.09739	6.2
125.09750	7.3
129.05609	5.5
140.94527	1.3
143.10805	2.6
151.00307	1.8
167.10802	14.2
169.08733	19.6
183.10265	1.2
185.11852	28.5
187.09769	53.3
197.19099	11.7
198.19608	1.5
211.09761	3.5
225.22220	3.6
229.10831	64.3
230.11197	1.9
230.61349	1.3
237.22362	2.7
247.11885	44.4
248.12216	1.6
255.23274	12.3
289.12912	8.4
297.16983	1.2
297.24545	5.9
315.25421	63.7
316.25732	3.9
322.11713	2.3
323.12051	1.9
357.26401	3.6
407.18515	1.6
509.34714	1.5
527.36035	9.4
545.37738	56.8
546.37701	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	545.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43109	0.9
57.03461	1.5
59.01393	16.6
61.98834	1.5
71.01389	7.1
71.54081	1.4
73.02968	2.6
78.95937	1.1
83.01410	1.2
85.02957	2.8
87.00918	1.3
89.02467	5.0
96.96034	11.3
97.06582	1.3
99.00891	1.4
101.02465	8.0
109.73945	1.1
113.02476	3.2
113.09756	2.2
119.03550	1.7
119.05051	2.0
125.06120	1.2
139.11333	1.4
141.09251	1.3
161.04573	2.2
165.12856	2.5
167.10812	3.0
167.72803	1.0
181.12375	3.6
183.13811	1.7
185.11833	5.0
195.13911	1.8
209.11748	5.6
211.13408	2.8
221.15547	1.6
227.12886	1.4
247.20619	2.5
249.55183	1.1
253.09361	17.5
270.76450	1.1
273.18637	3.1
281.21457	1.6
291.19714	30.1
292.20044	1.4
303.14517	1.5
309.20749	100.0
310.21140	5.1
464.42880	1.2
503.32092	1.2
513.27216	7.1
545.29565	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
57.03444	0.8
59.01383	11.4
60.47119	0.4
60.99288	0.5
61.98814	0.4
63.57006	0.4
69.03457	0.5
70.82339	1.1
71.01385	5.8
73.02955	1.6
73.74351	0.4
83.01353	0.6
83.05010	0.5
85.02950	2.4
86.16354	0.4
87.00893	1.2
89.02441	5.8
91.03992	0.6
93.03462	1.3
95.01421	0.7
95.05009	0.5
96.96024	3.1
97.02972	1.4
97.06597	1.7
98.03776	0.5
99.00898	0.7
101.02459	5.9
102.34709	0.4
111.08166	1.1
113.02429	2.5
113.09755	1.5
115.07645	0.9
119.03527	1.3
125.09750	0.6
127.07616	0.4
131.03496	0.5
139.11205	0.5
141.09219	0.8
143.03436	0.5
151.11337	0.4
161.04558	2.9
163.11356	0.5
165.12849	3.2
167.10872	0.6
167.14340	1.2
169.12318	0.6
171.10303	0.6
171.37939	0.4
173.04579	1.0
179.05585	1.0
181.12340	3.0
183.13951	1.0
191.05592	2.6
193.12370	1.4
193.16080	0.7
195.13911	1.7
197.11804	3.7
209.11836	1.0
211.13402	3.5
217.00366	0.4
221.15427	1.6
227.12920	0.9
240.13412	0.7
247.20697	3.6
253.09280	20.9
263.20102	0.8
273.18600	2.8
281.21255	1.2
291.19675	36.2
292.20047	1.6
305.14322	0.4
309.20737	100.0
310.21063	5.2
425.20010	0.9
454.92178	0.5
545.29504	11.4
546.30341	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
55.15031	0.9
57.03448	2.1
58.00579	1.1
59.01389	31.3
61.98848	4.9
65.61102	1.0
69.03456	0.9
70.59182	1.0
70.59540	3.3
71.01395	24.8
71.54587	1.1
72.99291	2.2
73.02959	11.2
75.00838	1.0
83.01382	4.2
85.02969	11.7
86.00080	0.9
87.00876	3.3
89.02473	7.2
96.96023	10.2
97.02951	1.5
97.06583	1.3
99.00885	4.6
101.02466	18.5
109.02957	5.0
113.02457	10.3
119.03536	1.1
119.05092	1.1
123.08192	1.8
125.02448	2.5
125.09709	3.8
131.03465	1.4
135.26955	1.3
137.02452	1.2
141.09178	1.3
159.03003	1.4
161.04562	8.3
163.11230	1.2
165.12834	1.2
171.10243	3.5
195.14021	1.2
207.10214	1.5
209.11789	2.0
209.18997	1.2
225.11340	2.4
243.12224	1.3
251.09166	3.3
317.16269	1.2
321.24390	3.0
326.64993	1.2
339.25391	4.5
353.19742	23.6
365.23428	5.0
367.24686	1.1
383.24457	19.4
384.24982	1.2
485.23981	32.2
485.30890	2.0
486.24066	2.3
503.31979	1.1
527.28461	2.9
545.29645	100.0
546.29871	7.5
574.41571	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.6
59.01382	19.0
60.54203	0.7
61.98818	3.0
67.63433	0.8
68.98173	0.7
70.76345	0.8
71.01389	7.8
71.02116	1.8
72.11295	0.7
73.02979	1.6
74.47168	0.7
75.00208	0.8
78.82182	0.7
81.03460	0.9
83.01406	1.5
83.05054	1.2
85.02962	3.4
87.00863	1.2
88.98803	0.8
89.02444	6.8
95.01419	1.4
96.96017	9.0
97.02931	1.0
97.06612	1.0
99.00889	0.9
101.02464	7.7
111.08164	1.6
113.02503	3.8
113.06100	1.2
119.03502	2.8
125.02499	0.9
125.09741	0.9
137.09822	0.9
143.03531	1.0
148.36314	0.8
151.00356	0.8
161.04568	3.3
163.11296	2.8
165.12839	5.1
171.10356	1.8
179.05650	1.0
179.14355	1.3
181.12360	2.0
193.15973	1.7
197.11900	6.7
209.11812	2.3
223.13370	2.2
235.07697	0.7
247.20752	6.2
253.09299	27.3
273.18643	2.5
285.04123	1.0
291.19690	71.7
292.20029	3.4
309.20724	100.0
310.21017	5.7
545.30414	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	0.3
59.01384	2.1
61.98842	0.6
69.21371	3.3
71.01386	1.0
73.17855	0.3
75.00858	0.3
78.95920	5.2
79.95741	3.6
80.91706	0.6
83.01395	0.4
85.02966	2.4
87.10423	0.4
89.02455	0.8
93.03446	0.3
96.96024	100.0
96.96925	8.5
99.27471	0.4
99.37235	0.4
101.02443	0.9
106.72635	0.3
113.02443	0.4
119.62994	0.4
125.02480	0.5
128.03505	0.4
129.01944	0.6
131.88869	0.4
151.07684	0.4
159.64058	0.4
163.04068	0.4
168.92482	0.3
181.69626	0.4
183.13939	1.6
206.10078	0.3
223.13290	1.7
237.11145	1.1
249.11115	7.7
249.13658	0.4
254.97446	0.4
267.12228	1.0
302.14252	0.4
319.60919	0.4
353.09982	0.4
463.22061	1.3
485.12363	0.5
485.19888	0.9
499.20007	0.4
545.12445	0.7
545.19897	0.5
545.31537	0.4
552.92487	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01815	0.4
59.01384	3.1
61.98823	1.2
67.01904	0.4
70.17475	1.7
71.01384	1.5
73.02964	0.6
73.31387	0.4
74.53190	0.4
75.00878	0.8
78.95919	5.9
79.95757	3.5
85.02972	2.9
89.02452	0.8
93.03447	0.6
96.96021	100.0
96.96927	9.5
98.20625	0.5
101.02441	0.7
111.04527	0.5
113.02466	1.1
118.55894	0.4
125.02422	1.0
129.02017	0.6
147.02997	0.4
161.04584	0.4
191.02054	0.5
191.05518	0.4
249.06273	0.6
267.07159	0.4
327.05121	1.0
353.09882	0.6
413.15466	0.5
545.19623	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.13
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18951	17.3
56.64383	19.7
59.01371	20.4
79.05486	19.7
87.00887	86.1
87.16512	18.7
96.96004	100.0
125.02448	34.7
177.01927	32.2
179.03555	26.7
239.05621	75.7
307.76447	20.5
313.71524	20.0
353.37173	20.4
462.42487	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	545.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10757	6.9
50.61361	7.0
51.24608	6.9
53.51487	8.0
61.29793	6.8
69.87189	15.6
69.87589	19.9
75.29134	6.6
78.59454	7.1
94.33467	7.5
96.53686	8.0
149.06108	18.6
177.05547	19.9
179.03545	23.7
219.05611	8.6
239.05652	100.0
254.55363	7.5
321.03918	7.5
444.64917	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	545.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90200	1.0
55.01886	1.6
57.03455	5.0
59.01383	5.7
61.98832	1.7
65.29170	0.9
67.01906	6.6
70.51909	0.9
71.01394	4.8
71.50659	1.7
72.99306	0.9
73.02953	2.2
74.74174	1.0
75.00866	1.5
79.95728	1.1
81.03464	0.9
82.95376	1.2
83.01392	15.7
85.02472	1.5
85.02961	26.0
87.04453	1.0
88.98762	1.1
89.02430	1.2
93.03455	2.9
96.96023	47.5
97.06609	1.8
98.71454	0.9
99.00876	1.6
99.04486	2.1
101.02431	1.2
109.02943	1.9
109.06606	1.3
111.00893	55.2
111.04534	1.4
117.03479	7.7
119.05034	7.4
123.04565	1.6
123.08231	1.2
125.02433	4.2
125.09739	2.3
127.07643	3.7
129.01970	11.4
129.17493	1.0
133.06557	0.9
134.03740	5.2
135.04527	3.9
136.05263	2.7
137.02534	1.0
141.05556	1.2
145.02940	4.0
149.02428	2.1
149.06073	1.6
151.03900	1.9
151.07654	17.2
159.04512	2.1
160.01660	5.9
161.02463	4.5
161.04492	2.4
162.03235	1.5
163.04018	7.6
165.01968	1.5
165.05568	1.1
165.09241	3.3
169.08676	2.1
173.00978	1.4
173.02438	1.5
175.04019	10.9
177.01860	3.1
177.05528	2.1
179.03436	2.3
183.13855	1.1
185.06055	1.0
187.02510	5.1
189.01920	1.4
191.01813	1.7
191.03459	2.1
193.05064	8.9
203.03473	3.3
205.03436	2.7
205.05153	1.4
207.03036	4.6
209.06197	1.7
209.08176	17.9
219.02869	1.6
223.04520	1.7
231.03030	1.4
231.06616	1.7
233.08206	2.0
241.96230	0.9
242.40750	1.1
243.06502	1.0
251.07076	2.3
265.05066	1.6
266.05762	1.2
267.06656	3.9
268.07071	1.4
269.04495	3.0
281.04498	3.2
282.05298	3.2
283.06122	13.8
293.04541	1.6
294.05099	1.3
295.06082	12.1
296.06723	2.7
297.04498	0.9
297.07669	20.0
298.04706	1.1
298.07999	1.9
307.06018	3.5
308.03397	1.5
308.06915	2.6
309.07721	3.4
311.05670	13.4
314.04208	1.1
322.04871	1.5
323.05515	9.9
323.09293	5.7
324.06177	1.1
325.07074	8.7
328.05847	3.5
335.05569	2.9
337.07153	3.5
339.04968	2.6
341.06747	5.1
341.10028	4.7
347.24326	2.3
351.05072	7.5
351.09067	1.4
353.06686	35.5
354.06949	2.8
355.08176	1.3
356.05374	1.7
363.05167	1.4
365.06583	5.8
367.04379	1.5
369.01746	1.7
369.06180	21.9
381.06070	5.7
383.07669	17.5
383.11987	1.7
384.08011	1.9
397.05252	1.1
399.07184	13.5
401.08334	1.7
404.16327	1.2
425.08618	2.5
429.08145	1.1
441.08127	4.8
442.08865	1.2
443.09869	24.3
444.10150	1.7
455.09445	7.1
457.07828	5.6
457.35162	3.4
459.09372	34.4
460.09732	2.8
473.69824	1.1
483.33160	10.1
485.10458	1.6
485.51453	1.0
501.34369	18.0
527.11945	3.0
527.22876	2.1
545.12939	100.0
546.13239	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03202	0.2
60.84518	0.1
67.26961	0.1
69.16692	0.6
69.17118	1.0
71.00313	0.2
78.73577	0.2
79.95747	2.6
85.88233	0.2
88.70837	0.2
96.96024	100.0
133.02985	0.5
284.03253	0.2
285.04123	0.3
297.04175	0.3
298.04800	0.2
299.05563	0.5
327.05130	3.1
357.06345	0.8
447.09363	2.5
448.10040	0.2
545.13263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.2
69.28838	1.2
71.01382	0.4
73.02953	0.1
77.96312	0.1
79.95749	2.6
85.02953	0.2
87.00893	0.2
89.02463	0.2
92.23163	0.1
96.96022	100.0
97.95950	0.2
101.02465	0.3
104.68495	0.1
113.02441	0.2
117.03516	0.2
133.02972	0.2
151.07693	0.2
161.02527	0.2
177.02007	0.1
267.12158	0.1
284.03360	0.7
285.04041	1.8
295.05948	0.1
297.08023	0.2
307.06256	0.2
323.05789	0.3
351.05124	0.5
353.07068	0.2
425.08817	0.4
447.09399	2.3
471.09683	0.2
545.13055	2.0
545.22266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50269	0.8
54.27353	0.9
54.42433	0.8
57.03456	5.1
59.01385	10.2
61.98849	4.5
69.03459	2.1
71.01394	4.4
71.05029	1.5
72.99319	1.0
73.02945	5.5
78.91876	1.2
82.95425	17.7
83.01423	1.7
83.05038	2.0
85.02960	6.2
85.03395	1.0
85.06586	3.0
87.04533	3.3
89.02435	3.0
93.03477	0.9
95.01377	1.1
95.05037	1.6
96.96013	3.7
97.06603	9.0
98.20717	1.7
99.04533	2.8
99.08181	3.4
101.02480	2.4
101.06085	2.9
109.06606	7.4
111.04527	3.8
111.08188	1.5
113.02470	3.4
113.06097	2.7
113.09753	1.5
119.03529	0.9
121.06627	1.0
123.04572	1.4
123.08198	5.7
125.02463	1.8
125.06141	1.1
125.09754	10.9
127.06831	1.5
127.07671	18.6
129.09219	2.3
135.08177	1.3
136.05322	17.1
137.02454	1.3
137.09697	1.7
139.07652	1.4
140.04813	3.5
141.05615	6.9
141.09221	1.3
143.10794	1.9
149.04555	3.6
150.06873	2.1
151.07666	89.9
152.08018	2.6
153.09259	1.8
161.13394	1.3
167.10805	1.3
169.08727	11.3
172.11174	1.0
187.11319	2.0
205.12357	5.0
211.13345	1.3
249.11356	7.3
250.11388	1.3
256.06671	0.9
267.19659	2.9
297.20679	1.2
299.01926	1.4
311.18747	0.9
329.23364	2.8
355.21460	1.1
381.15646	1.7
383.24451	2.3
385.26102	2.6
387.27530	1.7
423.27261	1.1
440.38235	0.9
455.33859	18.4
456.34357	3.1
463.30554	1.4
477.40375	0.9
481.31772	47.0
482.31998	3.3
499.32825	100.0
500.33295	8.5
543.20990	1.6
543.30829	1.8
549.98737	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3121
Annotation	Prorepensin
Peak:m/z	Relative Intensity
50.37191	1.5
54.64977	1.7
57.59059	1.7
59.01384	8.3
61.89657	1.7
61.98826	2.1
63.02404	3.4
63.91130	1.6
64.80805	1.5
65.00328	21.5
71.54265	2.6
77.34278	1.4
83.01399	14.9
105.76981	1.7
107.01398	30.1
115.43159	1.5
118.35760	1.7
119.05004	3.3
124.01698	2.1
125.02464	10.9
133.06659	2.1
149.99612	5.9
151.00385	100.0
152.01047	3.1
163.00349	1.8
164.01201	2.9
165.01910	1.8
169.01390	1.8
177.01942	4.7
187.11256	4.5
190.84486	1.5
196.00174	5.9
200.12022	6.6
204.78238	1.5
209.11758	1.7
219.06630	3.8
222.84419	1.5
232.11026	18.4
255.17558	72.0
256.18011	3.8
265.12430	1.7
273.20517	1.9
279.10202	1.7
281.15488	12.4
287.12891	5.0
287.22333	1.9
323.16037	1.9
340.12994	1.7
363.12421	22.1
363.19757	1.8
363.44113	1.6
389.17654	2.5
405.17178	8.8
406.17874	36.7
407.18625	77.2
408.18973	3.9
529.04504	1.6
543.31213	87.9
543.42273	3.4
544.31464	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	543.3122
Annotation	Prorepensin
Peak:m/z	Relative Intensity
65.00323	0.5
72.93568	0.4
75.95862	0.3
76.53240	0.4
91.01899	4.1
107.01389	1.0
108.02182	2.6
109.02950	1.5
123.00937	0.9
132.05818	1.6
134.99809	0.5
135.00897	9.5
148.01657	1.1
150.89085	0.5
151.00348	1.5
153.01996	4.7
161.02481	2.4
164.04813	1.7
180.00706	2.2
187.11319	8.6
188.11653	0.5
213.09206	1.5
223.07608	1.3
224.04776	0.5
225.05617	1.2
237.05571	0.7
239.07074	1.1
249.05661	0.4
251.07123	0.6
253.05025	1.8
255.17561	0.9
265.05054	1.0
266.05872	1.9
267.06674	10.4
279.06659	12.9
280.07065	0.7
286.65866	0.4
293.11761	2.8
294.12305	0.7
298.04880	3.6
299.05399	0.4
305.11914	1.8
307.09805	0.9
321.11356	19.2
322.12100	12.9
323.12851	4.7
371.79645	0.4
407.18637	2.9
407.29745	0.6
408.19098	0.6
543.31226	100.0
544.31622	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	543.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02970	0.4
56.05216	0.3
56.20578	0.3
59.01385	1.3
64.57333	0.3
65.96904	0.4
75.04053	0.3
91.01907	4.2
102.73495	0.3
108.02165	1.0
109.02944	1.2
109.69166	0.4
117.03516	0.7
119.05040	8.1
123.00909	0.4
132.05850	2.6
134.99933	0.6
135.00903	8.4
136.01553	0.4
145.02953	1.6
148.01625	0.7
153.01939	3.8
159.04506	0.8
161.02505	1.8
164.04787	2.0
180.00722	0.6
185.09712	0.4
187.03917	0.4
187.11295	11.8
188.11681	0.5
197.06126	0.5
201.05545	0.4
202.06390	0.6
203.07135	0.8
213.09232	1.8
223.07796	0.8
225.05588	0.9
235.07689	0.4
237.05623	0.7
237.12851	0.4
251.07224	0.7
253.05011	1.3
266.05841	0.8
267.06622	6.8
279.06638	7.5
280.07013	0.6
284.74289	0.4
285.05545	0.4
293.11826	1.5
298.04825	1.5
305.11966	1.8
307.09879	0.6
321.11307	8.5
322.12067	4.1
323.12857	4.7
324.12939	0.4
480.41425	0.4
543.31195	100.0
544.31567	11.3
544.40088	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20090	0.3
59.01369	0.7
60.65496	0.3
60.99316	15.0
70.14743	0.4
83.77016	0.3
85.02953	2.0
88.00405	1.3
88.98817	100.0
89.02464	2.7
89.99155	0.7
96.96017	2.0
109.10946	0.4
110.43959	0.4
124.76794	0.4
132.96989	0.4
175.47458	0.3
191.01985	0.9
211.09724	0.4
260.97787	0.4
289.08087	0.4
387.77673	0.5
548.23370	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01712	0.4
60.15320	0.4
62.39909	0.5
76.51362	0.4
112.10211	0.4
118.06208	0.4
119.05049	9.4
124.79108	0.4
146.78673	0.4
187.88174	0.4
223.81932	0.4
228.52519	0.4
242.23468	0.4
379.26483	1.0
423.25458	1.5
441.26614	0.6
543.31256	14.2
544.31537	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	541.3159
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
57.03448	3.5
59.01389	46.7
59.97440	3.0
61.98831	9.9
70.85315	7.5
71.01385	16.2
73.02959	10.2
76.48746	3.4
78.91946	3.9
78.95885	8.8
85.02961	10.9
87.00879	3.8
89.02460	6.7
96.96024	14.4
101.02443	12.3
113.02477	7.4
116.92712	3.5
139.35921	3.4
151.07661	16.0
167.03522	3.9
263.44623	3.7
284.03268	7.0
285.04150	17.3
286.90518	4.3
293.99496	3.8
300.17725	4.5
361.23593	3.9
457.43405	3.8
466.99966	3.7
479.30234	9.0
497.31332	5.5
505.33926	35.9
541.13373	6.9
541.31470	100.0
541.63812	4.3
542.31952	8.0
556.72589	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	541.3159
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
56.31939	5.1
59.01388	66.9
61.98843	12.8
69.21006	20.8
69.21422	30.2
71.01392	13.5
73.02966	8.3
76.21433	7.4
80.29001	5.5
85.02979	10.3
86.58588	5.7
89.02470	10.3
97.14303	6.0
101.02438	9.8
105.50315	5.5
113.02454	7.9
113.68816	5.9
130.63080	5.6
159.50760	6.8
204.36949	5.9
219.97266	7.0
292.74457	6.4
295.08350	6.4
305.17517	6.4
319.22858	8.0
331.14471	6.2
360.21014	6.6
505.33572	8.5
541.24127	8.5
541.31689	100.0
542.31763	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	541.243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43244	6.4
56.04494	6.5
58.00595	8.8
59.01389	64.9
61.98830	20.5
71.01402	36.6
71.55132	11.7
72.38994	6.3
73.02892	6.3
75.00896	7.4
77.40211	6.1
85.02964	46.6
88.98824	19.7
89.02456	47.7
96.96027	12.9
99.00925	15.8
101.02420	30.2
103.04038	8.9
113.02464	11.0
135.04529	6.5
146.06149	7.4
149.04524	37.4
186.88196	6.8
191.02045	15.5
225.55081	6.7
257.08221	12.2
465.17752	7.1
465.35068	7.4
491.16098	12.1
505.26340	46.2
531.00146	7.6
541.24835	100.0
541.34082	11.9
542.24841	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	539.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20735	1.0
53.07163	1.2
58.00588	1.3
59.01390	32.3
69.66135	7.6
69.66454	1.7
71.01392	29.7
73.02950	3.4
78.83295	1.1
78.95885	1.3
85.02956	5.1
87.00882	10.3
89.02457	45.9
92.92812	7.4
94.92522	2.0
95.01405	1.7
101.02458	22.9
108.90192	2.6
113.02464	15.3
119.03563	7.1
119.04224	1.4
125.02400	1.3
131.03485	2.8
143.03510	4.0
157.01108	1.2
161.04602	10.6
161.98122	1.6
179.05640	44.1
180.06059	1.4
208.27049	1.2
221.06691	24.0
263.07687	1.2
281.08719	2.5
323.09894	2.7
341.11121	5.5
358.57089	1.4
377.08542	15.9
383.12143	1.9
503.16260	100.0
504.16608	7.2
539.13885	47.4
540.14154	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	539.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.97417	8.3
61.98834	42.0
64.47639	9.5
71.01389	36.0
71.54678	11.6
73.02943	10.0
74.61498	8.4
78.95921	15.0
83.01434	12.1
85.02953	26.7
89.02469	13.7
96.95994	19.4
99.00829	10.2
101.02448	26.8
113.02460	25.5
119.05054	56.3
145.02977	54.3
163.04025	73.8
217.00354	28.6
273.79828	9.8
284.03287	15.4
374.99182	20.8
377.19681	43.0
479.26535	17.2
487.38690	10.0
497.20313	12.3
503.32312	45.3
539.30023	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63575	0.4
55.01879	1.5
55.26827	0.6
57.03458	11.5
59.01388	6.8
68.99838	0.5
70.85282	0.8
70.85618	1.0
71.01391	4.2
72.99314	1.6
73.02961	0.5
75.00878	0.9
83.01418	1.9
84.02179	2.5
85.02962	100.0
86.03309	1.6
87.00872	1.1
89.02448	0.9
96.96029	0.8
101.02483	0.6
103.00383	2.1
111.00906	1.5
112.04051	1.7
113.02492	0.4
115.00443	0.6
123.04509	0.5
124.04095	1.4
129.01962	7.4
133.02940	0.9
134.03793	0.6
135.04561	5.0
137.02480	0.7
140.07141	0.6
147.03012	13.4
161.02516	0.6
166.05095	1.6
173.00981	1.2
179.03534	1.5
184.06189	3.2
191.02002	82.0
192.02298	1.6
209.03087	4.2
212.64087	0.5
222.30006	0.4
298.11682	0.6
314.08844	2.6
328.12552	0.6
353.05023	0.6
358.07922	1.8
373.59070	0.5
376.08884	16.6
377.09079	0.7
538.22620	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.7
59.01388	36.5
61.98839	100.0
67.16742	0.6
71.01396	4.1
71.31897	1.2
72.99312	1.0
73.02953	1.4
75.00875	1.7
83.01391	0.7
85.02962	4.9
87.00883	0.8
89.02475	1.9
98.20640	0.8
99.00912	1.2
101.02454	2.3
103.94809	0.7
113.02470	3.1
119.03526	0.7
122.02486	2.3
176.81770	0.6
235.01659	0.6
263.77008	0.7
389.21945	2.7
430.39450	0.8
431.22885	6.5
432.23236	0.9
537.32617	1.9
538.11267	0.7
538.19452	1.5
538.33331	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	537.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99471	0.9
55.01876	1.3
57.03449	2.4
57.44797	1.0
59.01115	1.1
59.01385	17.6
61.98820	4.1
68.99832	1.3
70.01562	2.0
70.01952	2.2
71.01387	14.9
72.99300	3.7
73.02930	2.2
75.00881	15.0
83.01385	1.4
85.02465	1.4
85.02954	20.0
87.00864	5.1
88.98797	3.2
89.02473	6.7
91.01891	0.9
93.03438	3.9
95.01389	3.8
96.95994	2.2
99.00897	7.5
99.08150	1.4
101.02419	3.0
103.00375	1.4
108.02176	1.5
109.02943	1.8
113.01739	1.0
113.02459	16.5
117.01907	2.0
120.46918	1.1
121.02951	2.1
123.00890	1.8
124.01655	3.7
125.02459	9.1
129.01950	1.7
135.04550	1.9
136.01608	0.9
137.02477	9.4
141.01701	1.2
141.12865	1.8
142.09445	0.8
146.03722	1.1
147.04504	3.8
149.99588	4.0
150.03252	2.7
152.01097	1.1
158.03755	1.4
159.04498	3.8
160.05342	7.4
161.06085	4.3
163.03981	2.8
164.04765	2.6
168.00658	8.1
169.01413	0.9
169.69583	1.0
173.06102	2.0
175.02451	2.6
175.07645	5.1
176.04837	0.9
177.05518	3.6
178.06244	1.5
191.01917	1.0
225.05348	1.0
227.20993	1.1
238.06331	1.6
239.07108	1.1
243.06630	3.1
249.06107	9.8
250.06589	1.1
253.05127	0.9
254.05853	2.7
255.06609	1.8
266.05823	3.6
267.06677	8.3
268.07214	1.9
269.08127	4.7
269.21234	1.6
281.08231	11.1
282.09167	2.0
283.09637	1.3
283.18802	1.0
287.22293	61.5
288.22577	3.8
296.06885	1.2
296.10312	1.1
301.20303	1.0
314.08133	1.3
327.04816	1.4
371.14935	1.3
429.13562	1.6
432.15836	1.5
444.15875	2.3
447.18256	0.9
447.57849	1.0
459.18002	2.3
465.91824	1.0
474.16736	1.8
477.19211	28.1
478.19336	3.8
489.19263	42.7
490.19635	4.4
507.20050	3.9
519.28040	1.8
537.16779	12.9
537.29083	100.0
538.16833	1.4
538.29303	10.1
538.59833	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.7
59.01382	1.5
59.23729	1.2
60.55461	1.3
61.98844	2.2
68.99850	1.5
69.50524	1.2
91.01889	1.8
93.03458	2.9
95.05063	1.5
97.06596	1.9
105.03478	1.8
107.05026	1.7
108.02196	1.4
109.02977	7.1
109.06624	3.1
117.03474	4.2
119.05044	100.0
120.05393	2.7
121.02987	9.1
125.02454	3.0
133.02968	4.8
135.00951	1.5
135.04555	2.4
145.01895	2.4
145.02979	33.3
146.01363	1.4
147.04582	2.2
149.02446	2.2
151.00368	3.8
159.04562	1.7
161.02448	2.8
163.04015	2.2
187.03990	1.7
187.11304	2.2
189.09175	2.9
191.03485	2.7
203.07088	1.4
210.11847	1.4
231.10352	6.2
247.13460	2.0
255.10248	2.9
257.11905	1.9
259.09769	5.4
267.06656	2.7
273.11337	7.6
275.13065	6.0
279.06436	2.4
291.12558	1.8
301.10870	4.2
327.21738	1.9
347.15173	2.2
377.13922	7.0
391.19156	3.9
393.17151	6.0
407.18542	2.6
421.11371	1.8
421.16666	28.3
422.16879	3.9
423.18039	1.7
426.15295	1.5
433.20245	2.5
479.20868	1.7
537.24921	36.0
537.32855	1.9
538.25299	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	537.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68030	0.9
68.99567	4.1
71.05060	1.4
71.54117	1.3
72.36031	0.9
77.46082	0.9
78.40541	1.0
83.82268	1.0
93.03473	1.5
112.98591	6.2
115.84709	0.9
117.03476	1.6
119.05047	100.0
120.05369	1.2
121.02930	3.2
122.03735	1.4
127.05158	1.6
130.04260	1.8
136.01714	1.3
137.09746	1.3
143.05014	2.4
144.05882	1.9
145.02980	6.6
145.06560	2.9
147.65723	1.0
149.02483	1.2
157.06609	1.9
159.04549	1.0
159.08162	3.2
161.02423	3.1
175.07690	1.3
187.03972	1.5
187.11325	1.5
194.02264	1.9
203.07074	1.4
216.07852	1.1
220.10680	0.9
243.13991	1.2
267.06702	1.6
271.17007	3.7
287.12906	18.4
305.14026	8.6
315.15897	2.0
331.35165	0.9
339.12350	4.4
359.15100	8.9
407.18643	20.8
408.19028	1.8
438.08066	1.1
453.19476	5.7
479.20834	19.2
480.21091	2.0
537.24982	34.0
537.40051	2.8
538.25513	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.8
57.03452	6.8
59.01385	40.3
61.98837	8.2
62.22710	2.3
69.51627	7.0
69.52046	11.3
71.01390	38.2
72.99312	6.9
73.02960	13.3
73.47453	2.6
75.00892	8.8
83.01388	5.5
85.02955	30.4
87.00882	3.1
88.98805	4.1
89.02454	42.6
95.01384	3.6
96.54135	2.6
98.20700	4.8
99.00907	10.7
101.02450	28.5
108.02186	7.7
109.02927	3.4
111.00932	2.6
113.02467	14.2
117.72568	2.5
119.03496	3.8
125.02489	3.9
143.10730	2.8
149.04553	35.4
151.04051	2.9
152.01135	14.2
157.03955	2.8
161.04614	6.4
178.97867	3.3
179.05623	5.5
191.01981	6.4
191.05632	5.4
207.06618	3.3
207.10335	6.7
208.10634	3.0
221.06654	6.1
251.07765	4.2
285.04050	3.1
303.49176	2.6
311.09961	5.6
327.04956	4.1
375.27399	12.5
385.61505	2.5
415.15289	4.0
432.66068	2.7
447.09204	5.1
457.31683	2.8
519.18542	4.9
537.21039	39.9
537.32788	100.0
538.33136	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	537.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	3.2
55.53930	3.0
57.03458	5.8
59.01389	67.1
59.11099	3.0
61.91187	2.9
61.98832	7.0
69.99607	9.1
70.00014	5.5
71.01396	46.6
71.05064	3.7
73.02956	19.6
75.00878	9.1
78.95930	4.7
83.01399	6.8
85.02969	33.3
87.00864	4.1
88.98848	8.6
89.02460	75.4
95.01383	5.3
99.00897	12.5
101.02459	49.9
109.92182	3.0
113.02457	15.6
119.03522	8.2
125.02443	7.5
131.03479	15.3
143.03490	4.9
149.04581	79.8
149.99532	3.2
161.04489	6.5
167.03502	3.8
191.01968	5.9
191.05627	9.8
221.06721	11.7
251.07730	11.0
285.04239	5.3
293.08987	3.6
311.09830	6.7
327.05264	4.5
339.12900	3.2
364.85956	3.6
375.27560	12.1
447.09601	9.5
448.09891	3.8
457.31900	5.1
477.23755	4.8
537.13348	6.2
537.21136	75.4
537.32819	100.0
538.21320	6.6
538.33099	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1987
Annotation	Tanegoside
Peak:m/z	Relative Intensity
50.59272	0.7
52.96046	0.6
53.98901	0.7
57.03444	2.8
57.07327	0.7
59.01385	5.7
60.80028	0.7
61.98824	1.9
65.32111	0.7
70.85174	1.5
71.01390	5.2
75.00875	1.4
83.01370	0.9
85.02951	11.7
86.52663	0.8
89.02451	3.1
94.67668	0.8
95.01369	1.1
96.96018	4.2
99.00870	1.2
101.02444	2.6
108.02145	1.2
108.70224	0.7
109.02966	27.5
113.02439	2.4
119.03512	1.3
121.02981	2.6
122.03739	1.1
123.04527	1.5
125.02425	2.0
127.00999	0.8
129.01950	1.2
133.03018	0.8
135.04456	1.0
136.01674	13.9
137.02455	1.4
145.02925	2.4
146.03783	2.5
147.02983	1.1
147.04526	1.8
149.04575	0.9
150.03270	0.8
151.02905	1.3
151.04024	12.9
153.01910	0.8
157.09341	0.7
158.03775	1.3
159.04530	1.8
160.05351	1.6
161.02449	1.4
161.04848	0.8
161.06136	3.2
163.03970	1.1
171.04510	1.2
172.05321	2.5
175.04019	6.1
176.04808	6.3
187.04005	1.3
189.05589	5.9
190.06374	5.1
191.02008	5.0
191.07159	7.6
209.03017	2.7
221.06525	0.9
223.07484	1.3
239.07153	3.0
249.05852	1.9
250.06354	1.5
251.07082	3.8
261.05521	1.5
266.05783	2.1
267.06656	41.9
268.07071	2.2
278.05905	2.0
279.06650	10.3
281.08163	1.6
282.09015	42.5
283.09503	1.7
293.08353	1.6
294.09027	7.4
297.08270	3.4
297.11334	100.0
298.11731	6.8
309.11313	1.3
312.10083	16.0
315.12299	1.5
327.12396	72.3
328.12772	4.2
339.11209	0.8
345.13446	51.4
346.13495	3.8
357.13495	11.3
375.14511	53.5
376.09262	1.3
376.14810	3.3
537.20642	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	537.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.6
59.01381	1.6
61.98826	0.5
64.31973	0.4
71.01382	1.6
72.99329	0.6
73.02943	0.6
75.00860	0.4
82.26662	0.4
83.01418	0.4
85.02959	5.7
86.03298	0.5
89.02457	0.6
94.65616	0.4
96.96022	2.1
101.02435	0.9
107.14032	0.4
108.02193	0.9
109.02242	0.7
109.02970	13.5
119.05056	1.1
121.02965	1.8
122.03767	0.8
123.00888	1.0
123.04543	1.1
125.02486	0.8
135.04532	0.4
136.01692	6.3
137.02437	1.1
145.02959	1.5
146.03766	3.3
147.03030	0.9
147.04507	1.6
149.02422	0.4
151.02884	0.6
151.04016	6.9
158.03725	0.8
159.04469	1.2
160.05310	1.4
161.02373	0.5
161.06129	2.4
163.03966	0.6
171.04497	1.2
172.05328	2.4
173.06094	0.7
174.03198	0.6
175.04021	7.4
176.04805	6.3
187.04033	0.9
187.07611	0.4
188.04855	1.1
189.05577	4.9
190.06374	5.3
191.01990	2.2
191.07166	8.8
195.06633	0.4
196.07451	0.4
197.09715	0.4
209.03033	1.6
223.07765	0.8
225.05521	0.5
239.07108	0.8
243.06726	1.3
249.05641	0.8
250.06332	0.7
251.07124	3.6
261.05652	1.8
262.06143	1.1
265.08444	0.5
266.05856	1.9
266.09250	0.6
267.06641	8.1
268.07224	0.9
269.08289	0.6
277.08865	0.4
278.05920	1.5
278.09207	0.4
279.06671	11.3
280.07089	0.7
281.08151	2.4
282.09003	4.4
283.09561	0.8
293.08316	1.5
294.08984	7.6
296.10571	2.0
297.07715	3.8
297.11325	13.4
298.11734	0.6
301.11646	0.4
309.11533	2.2
311.09863	0.4
312.10059	17.1
313.10446	0.8
315.12430	1.3
327.12390	100.0
328.12720	7.0
329.11209	0.5
345.13428	7.4
357.13437	17.5
358.13831	1.4
375.14502	11.3
376.15036	0.6
428.91846	0.4
447.13995	1.4
537.20117	1.5
537.28888	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	537.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04834	0.3
50.13282	0.3
59.01382	1.5
61.98815	0.3
65.00323	0.9
68.99583	2.8
69.24967	2.2
71.01377	0.9
73.02946	0.5
75.00885	8.0
80.02716	0.3
85.02971	0.5
88.98804	0.4
89.02441	1.2
91.01907	12.2
95.01392	0.5
96.96025	0.4
100.27959	0.3
101.02457	0.7
107.05039	0.8
108.02188	16.4
109.02966	4.1
112.98572	2.5
113.02441	0.5
121.02969	0.7
123.00909	4.7
124.01698	0.4
135.00906	11.7
137.02458	2.8
152.01169	14.7
153.01869	0.8
165.01872	0.3
169.06569	0.3
181.03174	0.2
197.06061	1.1
199.07701	0.4
213.05580	1.3
215.07068	0.5
225.05717	0.3
243.06635	100.0
244.06999	4.1
287.22269	0.4
293.08670	0.5
429.10229	1.5
477.30646	0.4
522.97772	0.3
537.16193	6.5
537.26581	0.5
537.33356	0.5
538.16638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44331	0.6
55.01867	0.6
57.03442	1.6
59.01387	14.2
61.98840	1.2
65.00340	0.8
65.84286	0.7
66.21258	0.6
69.03455	2.0
71.01389	11.3
72.39822	0.5
72.99326	0.9
73.02946	1.9
75.00871	1.1
80.46450	0.6
81.03456	0.9
83.01404	0.9
85.02961	9.8
87.00874	0.6
89.02456	14.1
91.01886	0.9
95.01378	1.8
96.95955	1.0
97.02954	2.7
99.00890	2.3
101.02441	2.8
107.01382	1.8
108.02185	7.3
109.02967	10.1
110.00115	0.7
111.00884	1.1
112.83070	0.6
113.02458	2.1
119.05040	2.3
121.02988	2.7
123.00925	0.7
125.02447	7.0
129.01932	2.4
131.03508	1.5
135.00893	3.9
136.98772	0.7
137.02443	4.0
143.03572	0.9
149.02510	1.1
149.04553	2.4
152.01208	1.0
153.01958	19.6
163.04028	4.2
165.98996	1.5
169.06601	0.6
173.00914	0.7
177.01962	0.9
178.99879	4.5
191.01994	2.1
197.06078	2.8
206.99324	0.7
217.01414	1.6
229.01433	1.7
233.06718	4.5
242.02281	0.6
243.06621	6.6
245.00916	18.5
246.01506	1.7
257.00894	2.4
273.00461	6.3
274.01016	0.8
285.00467	4.0
285.04044	1.8
286.00961	1.0
288.02737	1.0
293.08832	3.5
297.06259	1.2
298.01086	0.9
299.02039	2.9
300.99936	17.7
301.03354	1.3
302.00543	2.3
313.03610	1.1
315.01447	1.0
316.02274	35.8
317.02911	6.7
328.99435	1.1
329.12396	1.1
331.04587	6.1
344.01791	12.0
345.02496	6.8
346.03296	1.6
359.04111	53.4
360.04706	7.6
361.05637	1.7
374.06445	5.8
375.07318	3.1
375.27271	1.9
429.10355	8.8
430.10733	1.2
447.09393	1.4
477.30521	0.8
522.10315	5.0
536.31653	0.9
537.12537	100.0
537.32825	13.6
538.12848	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	537.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69283	0.3
52.63305	0.4
57.03455	0.7
59.01387	6.3
61.98825	0.6
65.00323	0.7
65.03976	4.4
67.01894	2.3
69.03442	0.4
71.01403	5.5
72.99315	0.5
73.02967	0.9
75.00875	1.0
83.01408	1.0
84.02153	0.4
85.02965	3.3
87.00895	0.4
88.98847	0.6
89.02460	4.6
91.01907	14.5
92.02240	0.4
96.96037	1.9
99.00902	1.2
101.02448	1.9
109.02967	29.3
110.03309	0.7
113.02439	1.8
119.03500	0.9
121.02960	1.2
125.02480	1.9
129.01953	0.5
131.03542	0.3
135.00903	43.7
136.01231	1.0
137.02405	0.6
137.09671	0.3
143.03568	0.4
147.03073	0.5
147.04433	0.4
149.02478	0.6
149.04561	0.8
153.01956	100.0
154.02281	2.0
160.05208	0.4
161.04630	0.3
163.04019	0.4
167.03676	0.5
177.01932	0.4
187.25797	0.3
191.02037	0.6
191.22327	0.4
233.06689	1.2
243.06665	0.5
245.00992	1.3
273.00372	0.6
285.03989	0.4
293.08862	0.6
294.04846	0.6
297.06339	0.5
301.00031	1.2
316.02267	3.3
317.03061	0.6
327.05438	0.5
331.04486	0.7
344.01715	1.0
345.02487	0.4
357.26590	0.4
359.04047	4.0
360.04504	0.5
374.06586	0.6
375.20465	0.9
375.27496	1.7
429.10400	5.7
447.09485	1.0
477.30481	0.5
489.19171	0.8
507.20276	0.7
519.20544	0.5
522.10205	0.4
536.31494	0.7
537.12653	7.3
537.20966	0.8
537.32855	8.0
538.12671	0.7
538.32971	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43471	0.4
55.01867	0.7
56.11207	0.4
57.03444	1.2
59.01386	14.0
61.98840	2.5
65.00327	0.5
65.03967	4.1
67.01891	2.4
71.01392	7.6
71.23919	0.3
71.54657	0.3
71.55221	0.4
72.99312	0.9
73.02956	1.8
74.02454	0.3
75.00879	1.4
83.01404	1.2
85.02958	5.8
87.00887	0.7
88.98805	0.8
89.02458	6.9
91.01909	14.4
95.01392	0.6
96.96036	1.0
97.02957	0.7
99.00896	1.4
99.72132	0.3
101.02456	4.9
103.00368	0.4
108.02158	0.4
109.02966	28.8
110.03302	0.7
111.00898	0.5
113.02464	3.0
115.04086	0.3
117.03448	0.6
119.03534	1.3
119.04974	0.4
121.02969	2.4
125.02442	2.2
129.01959	0.5
131.03519	0.5
134.03737	0.3
135.00902	39.7
136.01221	0.6
139.14189	0.4
145.21629	0.3
147.03003	0.8
149.02480	0.9
149.04579	0.9
150.03239	0.5
153.01956	100.0
154.02280	2.5
155.10782	0.5
159.04517	0.3
161.04565	0.4
163.04050	0.6
166.05153	0.7
175.00409	0.3
175.04230	0.4
177.01933	0.4
191.02016	1.3
233.06708	1.2
243.06525	0.8
245.00777	0.3
249.06084	0.5
267.07202	0.3
285.04156	0.5
293.04672	1.1
293.08884	0.6
294.04974	1.2
297.06226	0.4
301.00082	0.3
316.02176	1.0
327.05225	0.4
357.19690	0.4
357.26538	0.8
359.04160	1.2
371.09839	1.3
375.20322	2.4
375.27557	3.2
414.09167	1.2
429.10388	5.9
430.10852	0.4
447.09354	0.6
449.27881	0.4
477.18661	0.7
477.24673	0.7
477.30481	2.0
489.19250	1.7
495.31961	0.4
507.20010	0.5
519.19934	0.4
519.31946	0.6
536.31573	1.1
537.12671	2.2
537.21204	1.1
537.32947	22.4
538.15363	0.6
538.33215	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	2.6
59.01389	9.6
60.99314	14.1
61.98828	0.9
69.63089	3.1
69.63498	2.9
71.01398	5.1
72.35152	0.9
72.67690	0.9
72.99316	1.9
73.02955	3.6
73.29362	1.0
75.00880	2.9
83.01410	1.8
84.95126	1.2
85.02965	8.1
87.78462	1.0
88.98815	95.2
89.02468	3.9
96.96014	1.4
98.19918	1.8
99.00885	1.0
101.02493	4.7
101.03036	0.8
113.02476	2.5
123.04553	1.1
125.02466	2.1
131.73334	0.9
133.02957	2.2
139.00414	0.9
147.04718	1.2
149.02478	1.0
151.00339	2.1
163.04044	1.4
166.02737	2.8
174.03223	1.8
175.04027	5.9
176.04811	3.6
177.05580	7.2
179.03531	1.7
180.04362	1.8
180.42778	0.9
189.05562	1.4
191.02048	2.1
191.07161	5.5
193.05096	3.3
194.05823	8.9
199.04025	1.2
203.07280	0.9
208.07430	1.8
209.08199	1.6
211.03947	1.2
243.06705	1.7
249.05896	1.1
256.03732	1.7
284.03293	37.2
285.04047	83.2
286.04471	6.2
327.05203	2.9
345.13458	36.5
357.06061	1.2
375.14484	7.3
375.27582	1.7
397.70193	1.1
447.09341	100.0
448.09674	7.9
457.31699	1.7
477.23331	0.9
537.20184	1.9
537.32965	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	537.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85955	1.1
59.01378	5.1
59.84815	1.1
60.99318	9.8
71.01386	4.0
71.15164	1.2
85.02956	3.0
88.98815	52.3
89.02435	3.5
109.02944	1.6
110.90197	1.2
114.01299	1.3
119.03510	1.5
121.02949	2.0
133.03003	8.4
147.04433	1.4
149.02417	1.7
161.02438	1.2
163.00266	2.1
163.04025	2.0
175.04015	2.5
191.03523	2.1
199.04070	1.4
253.05011	1.5
284.03281	7.5
285.04089	7.9
297.04080	13.8
298.04736	7.3
299.05569	17.3
311.05579	2.8
327.05124	100.0
328.05463	5.8
339.05194	2.8
357.02252	2.1
357.06216	22.4
358.06384	3.3
369.06015	2.5
383.89835	1.4
447.09329	88.8
448.09705	8.2
536.28522	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85290	0.5
57.03454	1.4
59.01389	10.5
61.83364	0.5
61.98844	4.9
70.13526	0.5
71.01385	4.6
72.00922	9.3
81.03472	2.1
83.01406	0.9
83.05036	4.3
85.02956	2.3
87.00879	0.8
89.02470	2.9
96.96019	0.7
101.02451	2.4
102.74117	0.6
103.05558	0.7
108.12338	0.6
111.00890	1.8
111.08165	1.2
113.02459	2.4
118.06646	1.9
119.03539	0.9
119.05031	0.9
125.02412	0.6
137.02457	0.6
138.24474	0.5
145.06534	0.5
147.04544	34.6
148.04875	1.0
161.06050	0.7
164.07184	100.0
165.07556	2.1
165.09038	0.5
165.12860	13.0
181.12375	0.8
183.13911	1.8
209.08168	0.5
209.11798	1.4
220.13315	1.2
227.12871	2.2
241.14479	0.7
243.17201	2.0
253.09370	0.8
269.06729	0.8
312.19720	5.8
313.20169	0.7
356.18723	7.7
374.19763	74.4
375.20068	5.4
416.20969	3.0
445.20630	4.6
476.22461	0.6
519.13092	1.0
536.25024	10.6
536.37408	9.5
537.25842	0.8
537.37469	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42509	0.8
55.01891	0.9
57.03451	4.4
58.00597	1.4
59.01388	41.3
61.98838	3.7
63.31413	0.7
67.70234	0.8
70.01283	3.6
71.01389	21.6
71.05022	1.1
72.99300	2.7
73.02959	10.8
75.00883	3.3
83.01395	3.3
85.02959	22.1
85.06714	0.7
87.00892	3.6
88.98817	0.9
89.02454	9.7
93.03467	1.7
95.01398	2.6
96.96008	3.5
97.02953	1.6
97.06561	1.1
98.20528	0.7
99.00886	2.6
101.02455	15.2
106.95766	0.7
108.02197	5.8
109.02967	3.4
109.06610	1.1
111.00876	1.5
113.02465	9.4
119.03523	2.4
119.05035	2.2
121.02961	6.2
122.03764	9.2
123.04536	6.7
125.02454	2.9
125.06068	0.8
125.09755	0.7
129.01961	1.3
133.10229	1.1
135.04529	4.4
135.11801	4.6
136.01674	1.5
137.02467	2.8
143.03500	1.7
147.03041	1.8
147.04544	1.4
149.02458	7.2
149.04509	0.7
149.06067	1.7
150.03221	2.9
151.04010	2.2
152.01178	8.4
153.01976	1.3
159.08228	1.2
161.02400	0.9
161.04617	8.8
161.05978	1.1
161.09712	4.3
163.04037	3.9
164.04810	1.6
165.05559	1.4
167.03513	6.1
171.10320	2.1
175.04012	1.4
177.01958	1.0
179.10803	9.6
189.05576	1.0
190.06352	1.6
191.02002	3.9
203.07213	1.2
205.08606	0.8
209.08197	1.3
215.13029	1.0
225.05626	2.1
241.08723	2.8
245.64648	0.8
267.08920	1.5
285.09833	3.1
285.20773	5.9
287.76224	1.0
293.08850	1.0
301.07285	1.1
301.20142	1.6
313.23926	0.9
316.09372	1.0
325.23920	1.2
327.10925	0.9
329.10248	1.1
329.13901	1.7
331.11835	5.2
331.24884	1.3
337.23969	1.0
346.45676	0.8
355.25024	6.7
356.12793	0.9
373.13025	2.2
373.25943	13.3
374.26422	1.3
475.29074	2.9
491.19131	2.4
493.30353	1.6
505.18488	1.9
517.18109	1.4
517.30048	2.5
535.19910	11.9
535.31305	100.0
536.19818	1.0
536.31757	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	535.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76182	0.3
55.01874	1.0
56.53093	0.3
57.03459	2.6
59.01388	14.5
61.98828	0.4
68.99216	0.7
68.99581	11.8
69.55987	1.0
69.56402	1.6
71.01390	6.7
72.99303	0.5
73.02962	4.7
83.01388	1.3
85.02966	5.8
87.00887	2.4
89.02462	3.3
95.01397	0.6
96.96014	0.7
98.19878	0.5
99.00876	0.8
100.32901	0.3
101.02452	4.0
112.98582	12.4
113.02479	2.0
116.31410	0.3
119.03499	1.4
121.02940	1.6
122.03760	0.7
123.08138	0.7
125.02437	0.4
125.09748	2.3
127.11296	0.7
129.01953	0.5
135.04555	1.0
135.70654	0.3
137.09718	0.6
139.11365	0.4
147.03043	0.5
149.02454	2.2
150.03238	0.8
155.10759	0.7
161.04631	0.5
163.04031	1.0
167.03465	0.6
171.10287	4.1
176.35173	0.4
191.02031	1.7
197.15532	0.9
229.14345	0.7
240.27544	0.3
265.21872	0.5
295.22714	0.4
315.08713	0.4
329.10315	0.4
355.24973	7.4
355.29257	0.6
356.25256	0.6
357.26489	0.6
371.24539	0.4
373.25970	26.2
374.26273	1.9
375.27460	1.3
389.10843	0.4
421.20245	0.9
475.29153	0.7
505.18799	0.8
517.30078	0.8
535.20056	3.2
535.31281	100.0
536.31555	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	535.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.4
56.99796	0.2
57.03451	1.8
58.00601	4.6
59.01385	100.0
60.01722	0.7
69.63848	1.4
70.54703	0.2
71.01389	61.7
72.01727	0.6
72.99313	4.5
73.02957	1.7
73.67725	0.2
75.00870	0.5
83.01402	2.9
84.02196	0.4
85.02957	12.0
87.00887	3.5
88.98808	0.4
89.02454	89.2
90.02785	1.1
95.01395	3.8
97.03013	0.2
98.20619	0.2
99.00877	0.6
99.04530	0.4
101.02456	34.0
102.02790	0.7
113.02465	25.6
114.02843	0.3
115.04012	0.3
119.03516	34.8
120.03848	0.6
125.02482	1.5
131.03517	3.9
143.03508	6.4
149.04567	3.6
161.04564	6.4
166.01675	0.2
175.02451	0.5
179.05624	15.9
191.01927	0.5
193.05013	0.3
209.03096	0.6
259.06192	0.5
269.04456	0.3
275.73355	0.3
276.52417	0.2
343.08206	0.2
355.21222	1.2
491.11795	0.4
535.27631	28.4
536.27954	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	535.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.2
57.03199	0.7
57.03457	7.8
58.00594	1.3
59.01386	32.8
60.01722	0.5
61.98835	2.9
65.37218	0.5
67.01878	0.4
69.46603	2.8
71.01390	51.0
72.99313	3.0
73.02956	15.8
75.00890	2.6
76.19272	0.4
81.03471	0.4
81.86909	0.4
82.95435	1.0
83.01402	8.3
84.95159	0.4
85.02961	30.7
86.00115	1.5
86.03265	0.6
87.00877	2.8
89.02453	16.7
95.01405	4.6
96.96020	1.8
97.02946	1.4
99.00889	6.7
99.04523	1.3
101.02454	37.8
102.02795	1.1
108.02177	6.3
111.00886	3.5
113.02466	18.9
114.02766	0.7
119.03535	5.5
119.45611	0.4
120.43019	0.4
121.02961	1.2
123.00866	1.1
123.04543	3.0
124.01667	0.7
125.02441	1.6
125.47617	0.4
129.01927	2.6
131.03502	0.7
132.04572	0.8
134.03702	0.9
135.04492	0.7
137.02443	1.2
138.03268	0.6
139.00362	0.6
139.03970	0.5
143.03520	1.8
147.02975	0.5
149.02441	0.8
149.04579	1.0
149.09583	0.5
150.03214	0.9
152.01160	13.3
159.03043	3.9
161.04572	13.6
165.04199	0.9
165.05534	0.7
165.09181	0.6
167.03513	17.5
170.02312	0.5
175.04108	0.6
179.05614	1.8
181.12392	0.6
190.02742	2.7
191.01971	2.1
193.05054	1.8
195.06696	0.9
205.05168	2.7
207.10316	2.5
209.03018	1.0
209.08249	0.7
223.06119	0.9
225.11305	1.2
233.08144	1.2
267.07239	0.6
283.10928	1.8
287.09277	2.8
317.10464	1.1
325.10718	0.7
327.09940	0.8
345.10999	1.5
350.36087	0.5
354.10507	0.5
355.11578	1.0
361.12943	1.5
367.10376	3.2
371.14902	0.6
373.22308	13.1
373.26065	0.5
374.22845	1.0
403.11615	0.6
415.23145	0.8
417.21158	0.6
475.22061	0.7
503.13165	2.7
535.27576	100.0
536.27820	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	535.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.6
57.03461	2.7
58.00601	4.1
59.01387	100.0
60.01725	0.8
60.93737	0.6
69.50954	1.8
69.51376	1.7
71.01392	61.7
72.01743	0.7
72.99311	4.4
73.02958	4.9
75.00867	0.7
83.01387	4.2
85.02966	17.8
87.00884	3.0
89.02456	76.7
89.12947	0.4
95.01406	4.5
97.02983	0.6
99.00919	2.0
101.02454	40.9
111.00898	0.9
113.02464	28.4
119.03519	36.1
120.03831	0.6
125.02448	1.3
131.03523	2.4
143.03514	4.5
149.04584	3.3
159.03052	1.0
161.04582	7.6
176.45914	0.5
179.05630	10.6
209.03032	1.1
230.61673	0.5
313.07202	0.9
355.21304	2.3
373.22330	1.6
381.41269	0.5
503.17075	1.0
535.27637	76.4
536.28015	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	535.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	1.9
59.01387	72.4
59.98527	1.6
60.01717	0.9
61.98833	1.7
62.63546	0.9
67.44536	0.8
69.03464	3.0
69.32621	7.8
71.01388	25.9
72.99309	3.0
73.02955	14.7
81.03455	2.2
83.01393	3.1
85.02969	10.2
87.00879	5.3
87.04517	1.0
89.02457	20.4
95.01394	1.3
97.02955	4.0
99.04538	1.5
101.02455	24.5
103.04025	20.9
113.02477	2.6
115.04034	2.4
119.03510	12.3
121.00478	0.9
125.02470	20.4
127.04015	1.7
131.03532	2.5
143.03523	4.9
145.05069	4.6
161.04535	1.1
163.06143	28.1
167.10793	100.0
168.11118	2.3
169.49075	0.9
192.17427	0.8
205.07138	5.1
247.08189	5.5
289.09341	1.0
293.04623	1.7
307.10370	15.1
308.64737	1.0
313.23462	1.2
401.83459	0.9
475.21848	3.0
535.31909	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	535.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85396	0.3
55.01885	0.6
57.03450	0.9
59.01387	8.9
69.50565	1.8
71.01392	5.0
72.99324	0.4
73.02956	1.1
80.02675	0.6
83.01414	0.9
85.02962	2.7
87.00898	0.7
89.02441	2.8
95.01400	0.8
96.96001	0.5
99.00894	0.5
101.02457	3.0
108.02187	29.6
109.02470	0.5
111.00872	0.4
113.02455	1.5
119.03505	0.5
119.05052	0.3
123.04544	15.0
123.08120	0.5
125.09780	0.5
127.11319	0.3
128.40327	0.3
129.01939	0.4
133.10269	0.3
135.11824	0.3
139.06450	0.3
152.01170	51.5
153.01508	1.2
153.12654	0.3
155.10793	0.5
155.86581	0.3
161.04547	0.4
161.09731	2.4
167.03517	100.0
168.03845	2.6
171.10332	2.0
179.10786	1.0
181.05000	0.3
189.05534	0.4
191.02014	0.6
195.17500	0.3
229.14632	0.3
311.07755	7.6
313.23615	0.3
329.08884	1.1
355.24890	1.8
373.25964	7.7
391.68890	0.3
392.20706	0.4
447.25916	0.5
505.18912	0.5
517.30255	0.8
535.31274	53.2
536.31757	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02172	0.2
57.03477	0.7
58.00578	0.3
59.01387	5.0
59.01660	0.4
61.52970	0.3
61.98835	0.9
70.85909	0.8
71.01394	3.0
72.99312	0.3
73.02957	0.7
73.86712	0.2
75.00882	0.3
80.02692	0.3
83.01398	0.8
83.84821	0.3
85.02962	3.0
87.00903	0.6
89.02464	0.9
96.96021	0.8
99.00914	0.4
101.02460	1.8
108.02185	28.9
111.00886	1.0
113.02481	0.9
121.02941	0.4
123.04537	14.7
124.04862	0.4
125.02473	0.4
129.01927	0.7
133.10196	0.3
135.04512	0.4
152.01170	50.9
153.01541	1.0
161.09755	2.0
161.83206	0.3
163.04041	0.4
167.03511	100.0
168.03897	2.2
176.39600	0.3
177.01897	0.3
179.10809	1.0
190.27893	0.3
191.01997	0.9
202.03217	0.3
206.79779	0.3
218.02182	0.3
285.20724	1.1
291.24222	0.3
303.69797	0.3
311.07745	7.8
312.08121	0.4
313.23999	0.6
329.08841	0.9
337.23666	0.4
354.23285	0.4
355.24683	0.8
373.25842	0.8
475.29282	0.4
493.30487	0.3
534.30426	0.9
535.18121	0.6
535.31305	7.3
536.18646	0.3
536.31573	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
57.03167	0.9
57.03453	15.5
59.01386	18.6
67.01884	0.7
68.99546	0.9
71.01385	6.5
71.68336	0.7
72.99310	1.5
73.02969	4.7
75.00880	1.4
83.01414	3.7
84.02184	3.0
85.02962	100.0
86.03297	1.5
87.00876	4.5
87.55602	0.6
89.02454	3.2
93.03471	1.5
95.01423	0.7
96.96015	0.8
98.19921	1.2
99.00896	0.9
101.02441	5.6
103.00372	1.4
105.04649	0.6
111.00887	3.3
113.02464	2.3
119.03522	1.0
119.05035	9.3
121.02967	7.9
122.03760	3.0
123.04545	1.8
125.09720	1.5
129.01959	14.6
133.02968	0.8
135.04539	5.4
136.01659	0.7
137.02441	0.8
141.43771	0.6
145.03072	1.0
147.03015	18.5
147.04219	1.3
147.04655	0.8
147.08244	0.6
149.02464	11.1
149.06168	1.1
150.03229	5.4
150.65630	0.7
151.00325	0.8
151.04060	1.2
152.01195	2.1
153.09219	2.4
161.04626	1.0
163.04041	13.7
164.04782	1.6
165.05522	0.6
167.03517	2.0
171.10287	1.8
173.00966	4.5
175.03998	1.9
179.10817	1.4
181.04971	0.9
189.05557	1.6
190.06343	3.2
191.02002	44.8
192.02452	1.2
197.08197	1.1
205.08723	1.2
209.03011	5.5
209.04674	0.7
279.94754	0.7
282.98999	0.7
293.06635	0.9
315.08786	1.4
325.07721	0.8
327.10901	8.5
329.10330	2.2
336.79391	0.7
337.05804	2.9
355.24939	4.5
356.12692	1.4
371.09918	1.6
371.24512	1.0
373.25934	18.4
375.27676	1.2
389.10971	11.0
490.16620	0.9
505.18866	5.4
517.18970	1.4
520.17944	1.0
535.19708	16.8
535.31366	77.0
536.20221	2.4
536.31720	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	535.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.8
55.46443	0.6
57.03457	13.8
59.01390	18.3
67.01860	0.7
69.74492	1.7
69.74900	2.3
71.01389	11.5
72.99276	1.1
73.02967	3.6
73.03328	0.7
75.00910	1.0
83.01397	2.7
84.02168	2.2
85.02959	100.0
85.61404	0.6
86.03326	1.5
87.00884	5.8
89.02445	3.0
93.03461	1.4
96.96000	0.9
101.02454	3.9
103.00358	1.3
111.00893	2.8
112.98607	0.7
113.02443	2.1
119.05047	8.1
121.02969	7.4
122.03750	2.9
125.09735	1.6
127.11320	1.0
129.01952	15.5
135.04558	4.7
136.01683	1.8
137.02463	0.8
138.86377	0.7
145.02966	1.2
147.03020	17.8
147.04318	1.1
149.02446	10.6
149.06096	1.1
150.03276	4.8
152.01157	1.5
153.09207	1.0
155.10750	1.2
161.04547	1.1
163.04036	11.3
164.04759	2.6
165.05574	1.2
167.03500	2.5
171.10283	2.6
173.00946	4.5
175.03967	2.2
179.10800	1.4
189.05536	1.3
190.06390	2.1
191.01993	41.7
192.02260	1.0
192.95505	0.8
197.15480	0.8
203.07036	0.8
205.08813	0.9
209.03041	4.1
282.21887	0.7
283.11932	0.8
293.06552	1.1
315.08823	1.7
327.10931	7.1
329.10229	2.0
337.05569	1.8
353.65137	0.8
355.24948	4.2
356.12531	1.2
371.09760	2.3
373.25980	17.2
389.10938	11.1
457.27493	0.8
490.16226	1.1
505.18689	3.7
535.19666	16.4
535.31281	81.1
536.19788	1.9
536.31744	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	535.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.0
57.03457	14.3
59.01389	10.1
64.44149	0.6
68.26625	0.7
69.64234	1.6
69.64639	2.5
71.01400	4.7
71.64939	0.6
72.99327	1.3
73.02951	1.1
75.00890	1.0
78.09037	0.6
83.01395	3.6
84.02161	1.6
85.02962	100.0
86.03300	1.6
87.00896	1.7
89.02456	1.8
98.73975	0.6
101.02445	2.3
103.00380	0.6
104.19492	0.7
111.00907	5.7
113.02467	1.1
119.05042	21.3
120.05363	0.6
129.01958	24.4
135.08224	0.8
145.02959	1.7
147.03008	20.8
151.00357	0.6
152.01180	0.8
153.09294	3.2
158.98952	0.7
163.04028	33.4
165.02054	0.8
167.03505	1.2
167.70303	0.6
173.00938	7.2
191.01996	27.4
209.03107	3.2
209.08238	2.7
293.06848	0.8
327.10812	7.8
337.05695	2.5
355.06738	1.5
371.09860	1.7
371.14899	2.1
389.10944	9.3
475.28931	1.1
535.23676	0.9
535.31342	7.9
536.31677	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34280	0.5
50.85314	0.5
52.59946	0.5
54.04556	0.5
54.27657	0.5
55.01862	1.0
57.03443	2.2
59.01388	20.6
61.98833	3.3
69.03443	0.8
71.01394	9.8
71.05023	0.7
71.55489	0.7
72.99323	1.0
73.02956	5.9
75.00877	2.5
78.95911	2.6
79.95711	0.9
83.01378	1.6
85.02969	5.8
85.89954	0.5
87.00883	2.8
87.04536	0.5
88.98808	2.3
89.02447	3.6
89.03941	0.5
95.01407	1.0
96.96023	13.9
96.96960	2.5
99.00872	1.4
101.02469	5.2
109.02953	0.7
113.02467	4.4
119.03501	1.8
123.08176	0.8
125.02450	0.7
125.09711	2.5
129.01941	0.6
135.04510	0.5
136.76823	0.6
139.11275	0.7
141.12914	0.5
145.09853	1.1
151.11311	0.7
157.75113	0.6
161.04567	1.0
171.10292	4.5
188.63403	0.5
196.44623	0.6
197.11877	0.7
201.11298	0.6
211.17035	0.7
213.44319	0.6
223.09795	0.9
267.07257	0.8
311.22122	0.7
323.22311	1.2
327.12018	0.5
335.22250	2.2
341.23367	4.1
350.28418	0.7
353.23306	8.1
355.24844	0.9
369.22583	1.0
371.11169	0.9
371.24445	23.2
372.24799	1.6
373.25851	1.2
421.42432	0.6
473.27631	0.8
474.30371	0.6
503.28555	0.9
515.28400	1.4
533.29620	100.0
534.23065	0.9
534.30115	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	533.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.1
57.03453	3.4
58.00602	5.2
59.01387	94.6
60.99327	0.5
61.58379	0.5
68.95642	0.6
69.57476	1.7
69.57880	1.4
70.21054	0.4
71.01392	72.5
72.01746	1.1
72.23022	0.4
72.99320	7.0
73.02946	3.8
75.00861	1.5
82.95422	2.5
83.01398	3.8
84.02220	0.6
84.95133	25.8
85.02962	25.3
87.00904	4.7
89.02457	100.0
90.02792	1.1
95.01412	5.1
96.96032	3.7
97.02918	0.7
99.00900	1.5
101.02459	48.8
102.02762	0.5
109.02958	0.5
109.06664	0.6
111.00873	0.6
112.26328	0.5
113.02470	33.8
114.09587	0.5
119.03519	48.0
120.01247	0.6
120.03867	1.0
121.02931	0.5
125.02464	1.2
129.01955	1.7
131.03505	4.8
135.04556	1.2
143.03516	7.6
146.47566	0.5
147.03055	0.8
147.04507	0.7
149.04584	4.9
159.03023	0.6
161.04582	9.9
179.05640	20.6
179.07027	0.8
191.01990	4.0
199.03966	0.4
209.03076	7.0
209.08078	0.5
218.82143	0.5
219.02956	0.6
222.17683	0.5
249.06000	0.5
251.07176	0.6
253.08817	0.9
267.06967	1.7
279.06631	0.9
294.05154	0.5
299.05548	1.0
309.07800	0.5
323.05469	1.0
327.05206	3.4
338.07965	0.7
341.10382	1.8
353.10474	2.0
353.19586	0.5
357.06268	0.7
371.06717	0.6
371.11389	1.7
447.09488	3.5
449.10458	0.7
533.18652	2.3
533.26123	18.5
534.26135	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.1
57.03453	3.4
58.00602	5.2
59.01387	94.6
60.99327	0.5
61.58379	0.5
68.95642	0.6
69.57476	1.7
69.57880	1.4
70.21054	0.4
71.01392	72.5
72.01746	1.1
72.23022	0.4
72.99320	7.0
73.02946	3.8
75.00861	1.5
82.95422	2.5
83.01398	3.8
84.02220	0.6
84.95133	25.8
85.02962	25.3
87.00904	4.7
89.02457	100.0
90.02792	1.1
95.01412	5.1
96.96032	3.7
97.02918	0.7
99.00900	1.5
101.02459	48.8
102.02762	0.5
109.02958	0.5
109.06664	0.6
111.00873	0.6
112.26328	0.5
113.02470	33.8
114.09587	0.5
119.03519	48.0
120.01247	0.6
120.03867	1.0
121.02931	0.5
125.02464	1.2
129.01955	1.7
131.03505	4.8
135.04556	1.2
143.03516	7.6
146.47566	0.5
147.03055	0.8
147.04507	0.7
149.04584	4.9
159.03023	0.6
161.04582	9.9
179.05640	20.6
179.07027	0.8
191.01990	4.0
199.03966	0.4
209.03076	7.0
209.08078	0.5
218.82143	0.5
219.02956	0.6
222.17683	0.5
249.06000	0.5
251.07176	0.6
253.08817	0.9
267.06967	1.7
279.06631	0.9
294.05154	0.5
299.05548	1.0
309.07800	0.5
323.05469	1.0
327.05206	3.4
338.07965	0.7
341.10382	1.8
353.10474	2.0
353.19586	0.5
357.06268	0.7
371.06717	0.6
371.11389	1.7
447.09488	3.5
449.10458	0.7
533.18652	2.3
533.26123	18.5
534.26135	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03442	1.4
58.00610	1.1
59.01386	21.7
61.98839	1.8
69.43903	3.3
71.01391	18.5
72.99313	2.0
73.02960	12.8
75.00883	0.9
78.16578	0.4
81.03463	0.5
83.01400	1.1
83.39183	0.4
85.02965	8.0
86.31530	0.4
87.00885	1.8
89.02458	14.3
95.01400	2.2
96.96029	1.1
97.02969	0.6
98.19920	0.9
98.55657	0.4
99.00894	51.0
101.02461	7.1
113.02469	14.9
119.03518	2.0
121.02950	1.1
123.04568	0.6
125.02464	0.9
131.03535	4.0
136.42969	0.5
143.03554	0.6
145.02983	0.6
149.04565	3.7
161.04588	3.6
165.12828	0.6
177.12904	1.3
179.07133	1.4
179.10840	1.0
190.07945	0.4
190.62480	0.4
191.05634	5.5
202.79675	0.6
209.02977	0.8
215.17455	0.5
219.66739	0.5
221.11826	0.8
239.12961	1.0
288.22949	0.5
353.23267	0.5
371.24286	0.9
379.04114	0.6
401.17911	3.9
419.26379	0.5
533.22504	100.0
533.29541	6.3
534.22852	9.3
534.30658	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
57.30342	0.2
59.01381	2.1
59.26696	0.2
65.00343	0.5
69.03466	0.3
71.01393	1.1
71.55162	0.2
73.02948	0.3
75.00874	0.4
80.91679	0.6
81.03464	3.9
81.03942	0.2
82.95417	0.3
83.01393	1.2
84.95116	1.0
85.02953	1.7
86.03250	0.2
89.02454	0.9
93.03490	0.3
95.01400	0.3
95.05038	0.3
95.47713	0.2
96.96007	0.8
97.02964	0.5
99.00901	0.2
99.08167	1.1
101.02435	0.4
101.06096	0.7
107.01386	0.3
107.05017	0.3
109.02930	0.3
113.02419	0.4
117.03473	0.3
121.02949	0.3
121.06580	0.2
123.08173	1.7
124.01683	0.3
125.02460	5.0
125.06098	4.1
127.07675	0.4
135.04500	0.3
136.05324	0.5
137.02434	0.3
137.06065	0.3
141.09212	0.7
143.20663	0.2
147.03040	0.4
147.08157	0.7
149.02461	0.7
149.06093	0.2
151.00401	0.7
151.04034	0.2
152.01144	0.6
161.02444	0.3
161.09845	0.2
165.09222	26.5
166.09547	0.7
167.03496	0.3
167.07104	0.2
169.79738	0.2
175.00418	0.3
175.04007	0.2
179.03418	0.2
179.07138	0.3
179.10765	0.6
181.08730	0.3
191.01903	0.4
191.07176	1.3
193.08698	0.5
205.08737	0.6
208.07455	0.3
209.08214	100.0
210.08533	3.6
215.07016	0.4
221.08153	0.4
223.09746	2.4
231.10477	0.2
233.08208	18.9
234.08530	0.8
235.09737	0.2
251.09274	6.3
252.09567	0.4
263.09247	2.1
267.07053	0.3
275.09348	0.4
279.06671	0.4
281.10281	0.4
293.10397	0.3
295.06097	0.4
297.07684	0.8
309.07785	0.3
311.05753	0.2
311.11340	0.9
323.05652	0.6
323.11508	1.8
325.07217	0.3
327.05063	0.3
328.05942	0.2
329.14026	0.3
337.07321	0.3
338.07980	0.4
353.06812	1.3
353.10623	1.1
353.12369	0.7
365.06494	0.5
370.83282	0.2
371.13483	29.1
372.13742	1.9
383.07758	1.2
443.09766	0.5
473.10620	0.4
530.36237	0.2
533.12964	5.0
533.20477	0.5
533.29584	0.3
534.13312	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07227	0.5
55.01901	0.6
55.88379	0.5
59.01413	1.9
69.03473	0.8
69.31651	4.6
70.43511	0.5
71.01423	2.4
73.03012	0.8
73.89589	0.5
81.03469	5.1
83.01392	5.2
85.02994	2.3
85.76825	0.5
86.91721	0.5
89.02478	0.5
93.03508	1.5
95.01440	2.0
95.05042	4.0
97.02981	4.2
98.20679	1.1
99.00935	0.8
99.08207	1.7
101.02491	1.4
101.06105	2.6
107.05079	1.4
109.02978	3.0
109.06613	1.3
109.13902	0.5
111.00935	1.1
111.04542	2.8
113.02497	2.3
119.05107	0.7
121.02998	2.2
121.06651	0.8
123.00903	0.9
123.04539	5.2
123.08201	1.3
125.02467	8.9
125.03325	0.6
125.06098	10.1
125.06922	0.7
127.07687	0.7
135.04575	1.9
135.08238	0.5
137.02428	3.6
137.06107	1.5
137.09760	1.1
139.04013	5.6
141.09311	0.8
146.03734	0.5
147.03107	0.6
147.04500	0.6
149.02429	0.7
151.04059	1.4
155.03586	0.9
158.23065	0.5
161.09796	0.6
163.04033	1.4
164.04857	1.1
165.01965	1.9
165.05615	1.5
165.09225	9.9
166.02768	0.6
167.03516	15.9
167.07155	1.2
177.05550	0.7
177.09235	2.0
179.03561	2.2
179.10800	4.2
180.04312	0.8
181.08733	4.5
183.10405	0.6
190.02721	0.6
191.01971	0.7
191.07265	0.8
193.05217	0.6
193.08725	0.8
195.10352	0.6
197.04582	3.3
203.10893	0.8
205.08749	2.1
207.06691	2.1
207.10291	1.6
209.04613	10.3
209.08203	9.8
210.81265	0.6
217.08736	0.7
219.10225	1.2
221.08221	4.5
221.11780	0.9
222.08904	0.9
223.09673	1.5
231.10291	0.8
233.08217	1.3
235.09669	3.0
239.05623	3.8
239.09286	1.1
245.08290	0.7
247.09808	1.3
248.06837	0.6
249.11345	1.4
251.09283	23.4
259.09521	0.7
263.09286	9.8
265.10861	1.8
269.06650	0.9
275.09341	1.4
277.10812	1.7
281.10422	7.0
282.10620	0.7
289.10886	0.8
290.08173	1.1
291.08786	0.6
293.10355	100.0
294.10764	4.6
305.10342	5.2
323.11383	71.9
324.11658	4.0
335.11414	4.3
341.10184	0.9
353.08368	1.0
353.12518	20.4
354.12778	0.9
359.58859	0.5
365.12375	1.8
377.12454	1.6
395.13504	8.4
413.14575	16.4
414.14789	1.4
425.14578	5.3
426.14838	0.7
443.15604	2.6
515.17737	1.2
533.18878	9.4
533.27332	1.0
533.29657	0.8
534.19073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63986	0.8
59.01382	1.6
62.98512	0.7
65.78693	0.6
67.29655	0.7
68.99809	0.8
69.03459	1.5
70.85386	1.3
71.01365	1.6
73.02967	0.7
80.02678	0.6
81.03469	5.3
83.01410	6.1
85.02956	1.8
91.13606	0.7
93.03466	2.3
95.01414	2.7
95.05048	4.4
97.02948	4.7
98.52056	0.6
99.04530	1.1
99.08166	2.1
101.06096	3.5
107.01397	0.8
107.05006	1.9
108.02174	1.5
109.02951	2.6
111.00877	0.8
111.04520	2.9
113.02477	1.4
116.89189	0.7
121.02956	1.1
123.00854	0.7
123.04533	5.5
123.08201	1.0
125.02467	9.1
125.06100	13.1
127.07638	0.8
135.04547	1.3
135.08197	0.9
136.05292	1.0
137.02452	4.5
137.06084	1.4
137.09669	0.7
139.04016	7.7
147.04549	1.2
149.02446	1.1
151.04005	1.6
155.03554	0.9
161.02512	0.8
163.07547	0.8
164.08476	0.9
165.01936	2.3
165.05617	0.9
165.09225	8.3
166.02843	0.8
167.03503	17.4
177.01982	1.0
177.09187	1.7
179.03482	2.3
179.10802	4.7
180.11157	0.6
181.04999	1.2
181.08688	3.7
183.10237	1.9
191.03542	0.8
191.07155	0.7
193.08720	0.7
193.12268	0.7
197.04568	2.1
203.10788	2.0
205.08672	2.7
207.06711	1.8
207.10287	2.0
209.04619	7.2
209.08212	10.4
209.80573	0.7
211.12924	0.7
219.10175	0.9
221.08214	5.1
221.11740	1.1
223.09801	1.7
231.10356	0.8
233.08168	2.1
235.09889	3.3
239.05669	3.4
247.09833	1.0
249.11429	1.1
251.09280	21.1
252.09659	1.4
261.07599	0.9
261.11249	0.8
263.09283	9.7
265.10980	1.8
269.06781	1.4
275.09259	1.9
277.10971	2.3
281.10291	7.3
282.48752	0.7
290.07980	0.7
291.12399	0.7
293.10342	100.0
294.10699	4.8
305.10132	4.6
323.11380	71.6
324.11505	3.2
335.11536	3.8
353.12421	23.2
354.12711	1.0
365.12329	1.4
377.12637	0.9
395.13519	8.3
407.13705	1.2
413.14536	15.9
414.14981	1.3
425.14410	5.5
443.15582	3.3
533.18835	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	533.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.4
57.03466	4.9
59.01385	10.0
64.49840	0.8
65.00331	1.2
66.02753	0.9
70.52521	2.8
70.52884	1.0
70.82700	0.8
71.01395	7.4
72.99308	1.3
73.02946	1.5
75.00884	15.1
81.03462	5.2
81.09962	0.9
82.95407	1.3
83.01366	4.0
84.02160	1.0
84.95119	3.7
85.02958	23.2
86.03277	1.6
87.00876	1.1
89.01958	0.9
89.02463	5.7
96.96010	2.5
99.00879	1.2
99.08154	1.3
101.02430	3.3
113.02438	3.8
117.01881	0.9
119.03526	1.6
119.05034	3.3
123.08157	2.7
125.01549	2.0
125.02469	34.5
125.06086	7.5
129.01964	7.4
131.02397	0.8
134.03706	1.0
135.11798	4.3
136.05305	1.0
141.09294	1.1
147.03008	7.0
147.08157	1.9
149.02420	2.8
151.00444	1.4
160.05289	1.4
161.09703	2.3
163.03993	5.4
164.04384	1.9
165.04050	21.6
165.07826	1.4
165.09213	26.8
166.09636	1.0
173.00861	1.1
174.01349	0.9
179.05710	0.8
179.10796	23.2
180.11070	1.1
191.01930	6.0
191.07146	2.2
192.02347	1.0
193.02373	1.2
193.05026	1.1
209.03096	4.0
209.08203	100.0
210.08530	3.4
223.09779	24.6
225.23325	0.8
244.59129	0.8
251.09264	2.6
263.09335	0.9
267.06580	1.7
285.03952	1.2
294.05441	1.0
295.06192	1.4
309.07352	0.8
323.05551	1.8
323.11328	6.9
325.08783	1.0
329.08698	0.9
329.14075	1.9
337.07147	1.3
338.07928	1.7
341.10321	5.4
353.12350	10.0
370.15527	0.8
371.13547	11.0
385.15152	2.3
413.14368	1.8
449.12952	2.3
457.11884	0.9
533.18835	56.3
534.19006	4.9
544.09467	1.0
554.82587	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48908	1.9
59.01379	5.8
63.02414	2.2
69.42309	16.5
71.01382	4.4
78.87425	2.1
81.03468	5.9
83.01400	3.6
83.76957	2.0
85.02960	10.6
87.61069	2.1
88.55454	2.2
95.01393	2.3
95.05043	2.5
101.06121	4.4
107.01423	4.0
113.02509	3.7
121.02982	3.8
123.04487	4.5
125.02472	10.4
125.06095	8.6
133.02975	4.8
134.03688	2.6
137.02432	4.8
139.04071	6.3
139.11125	2.1
149.02443	4.0
151.00363	4.8
151.04019	2.8
159.17297	2.0
161.00938	6.3
163.04001	3.4
163.82819	2.1
165.09203	6.0
167.03494	15.3
170.02217	2.8
175.03874	2.2
181.08659	3.8
191.02048	2.7
197.04533	3.8
199.03879	2.8
205.08611	2.5
207.10365	2.3
209.04619	7.1
209.08167	10.6
221.08176	2.6
223.09821	5.6
226.02736	2.2
235.09731	3.6
239.05682	4.8
251.09262	22.6
256.03891	4.8
263.09247	8.7
281.10352	8.3
284.03275	64.6
285.04059	100.0
286.04306	3.3
288.17313	2.2
293.10352	93.3
294.10641	5.6
297.78476	2.3
305.10345	4.9
323.11380	65.4
324.11795	4.3
327.99017	2.5
335.11435	3.8
352.04678	1.9
353.12793	14.9
364.94724	2.2
371.11661	3.0
372.12201	2.4
375.34137	1.9
395.13113	6.8
413.14655	12.3
425.14697	4.8
443.15454	2.5
447.09036	2.9
489.10394	86.7
490.10699	11.3
533.19708	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1689
Annotation	Amurensin
Peak:m/z	Relative Intensity
51.28631	1.9
57.03460	10.3
58.51252	1.9
59.01390	25.0
61.98827	5.2
66.47726	1.9
70.10263	2.4
71.01402	14.1
71.55515	3.5
72.99333	2.8
73.02968	3.9
75.00904	6.7
81.03466	2.2
83.01406	5.0
85.02964	73.3
86.03307	8.6
89.02467	9.8
96.96021	7.0
99.00912	6.1
101.02464	8.0
103.00334	2.0
109.02940	2.8
111.00901	3.0
113.02451	6.2
119.03525	5.2
119.05053	14.3
120.05382	6.1
121.02979	9.9
121.09383	2.1
125.02441	5.5
125.06110	3.1
129.01935	13.6
130.02242	5.1
131.02380	2.4
134.03708	5.2
135.04559	2.9
139.14691	2.1
145.02960	2.8
147.03006	9.7
147.04533	6.0
148.05321	7.5
161.00990	4.5
161.02335	2.5
163.04062	17.5
164.04405	6.1
165.04362	2.9
165.09215	4.6
167.03484	3.2
173.00894	2.4
176.04684	2.7
179.10762	3.9
191.02010	16.9
191.03551	8.1
191.07181	11.0
192.04289	2.1
193.02477	2.7
193.05055	2.5
201.04265	2.3
206.05873	2.0
209.03030	6.9
209.06276	2.8
209.08200	37.8
214.55167	2.2
220.03906	2.5
223.07616	2.3
223.09729	3.6
235.07816	2.9
238.04738	5.0
239.07196	7.1
248.04861	2.2
249.05690	5.4
250.06271	3.3
251.07133	13.2
251.09424	2.8
262.06342	3.3
263.07227	4.1
264.07968	5.2
265.05078	4.0
265.08807	3.4
266.05905	9.9
267.06622	32.0
268.07080	2.8
279.06693	22.1
281.08240	7.8
282.08978	17.7
293.10608	10.3
294.05380	24.5
294.09073	8.3
295.06027	7.1
297.11435	7.0
307.06058	3.1
308.06970	2.9
309.07697	28.4
310.08466	3.2
319.18762	2.4
322.08502	5.8
323.05661	18.3
323.11679	5.2
326.07877	12.0
327.08600	3.3
338.07956	43.6
341.06195	4.2
341.10333	84.2
342.10699	6.2
353.10291	100.0
354.10715	8.3
371.11371	89.3
372.11533	3.7
495.37146	2.2
533.16772	25.0
533.29626	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	533.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01908	0.7
57.03454	5.1
59.01391	7.6
61.01796	0.6
61.98831	2.2
66.64779	0.5
68.57986	0.5
68.99831	0.7
71.01394	5.0
71.54167	0.7
72.99319	1.1
73.02945	1.6
75.00881	2.3
76.70426	0.5
83.01398	1.9
84.02179	0.7
84.95127	0.8
85.02962	37.6
85.04048	1.0
86.03305	5.8
87.00892	1.2
87.03380	1.8
89.02467	3.5
96.96021	4.4
101.02477	2.0
111.00878	1.0
113.02464	1.0
119.05048	5.3
120.05368	1.2
125.02461	0.8
126.85233	0.6
128.03571	2.8
129.01952	4.8
130.02287	0.7
131.02423	0.7
134.03729	1.1
137.02444	1.0
139.04027	0.7
145.02948	3.2
147.03009	4.4
151.04041	1.0
157.06166	1.1
159.04485	0.8
160.01639	0.6
163.04066	6.9
164.04395	1.1
165.04385	0.6
173.00908	0.6
174.03236	2.4
175.03975	0.9
181.08691	0.7
191.02002	19.0
192.02368	4.7
193.02417	5.1
193.05034	1.4
194.05435	0.5
195.08156	0.9
205.06601	0.8
206.02184	0.5
206.07381	1.0
207.08150	2.0
209.03070	3.1
209.06190	0.8
209.08229	2.0
210.03398	1.5
211.03549	0.8
215.03484	0.9
223.07599	2.4
223.09775	1.6
229.05127	0.7
232.36646	0.5
233.06053	1.3
234.06850	1.9
235.07675	3.7
249.05754	1.3
250.06335	0.8
251.07147	16.2
252.07611	0.8
261.05563	1.8
262.06342	1.8
263.07123	8.2
263.09625	0.7
264.07968	4.6
265.08774	1.3
267.06656	2.9
277.05182	1.0
277.08701	0.8
278.05692	1.2
278.09482	0.7
279.06653	21.7
279.09909	0.7
280.06976	1.4
282.09027	2.2
286.10434	1.3
293.08044	1.0
294.08917	6.3
295.06171	6.6
296.06723	0.8
305.04529	1.1
307.06140	2.8
308.06882	1.2
309.07681	2.0
309.11288	0.9
310.08493	3.1
320.06451	0.7
321.07800	2.2
322.08505	5.8
322.32919	0.7
323.05643	21.0
323.09070	1.2
325.09082	1.1
337.07175	1.5
338.08017	23.5
339.08316	1.1
341.10617	3.0
353.10336	100.0
354.10611	6.8
371.11264	1.8
387.08987	1.1
395.11703	0.9
489.10553	0.7
533.20697	3.5
533.30182	2.3
534.25018	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	533.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49634	3.0
55.01858	2.7
55.47652	2.8
57.03456	13.3
59.01394	11.8
69.63468	14.0
69.63880	5.6
71.01392	4.9
74.23512	2.4
85.02964	100.0
124.22499	2.7
129.01956	3.8
133.01445	2.7
141.56555	2.5
147.03011	6.6
155.95293	3.6
191.02011	88.4
191.85117	2.6
221.62674	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	533.1672
Annotation	Amurensin
Peak:m/z	Relative Intensity
55.96370	0.7
59.01391	7.4
61.61491	0.7
63.83191	0.6
67.63065	0.6
69.36596	4.5
71.01400	3.5
85.02949	5.2
89.02474	1.5
93.03490	1.0
98.19904	1.1
101.02425	1.4
108.02180	3.0
111.00906	0.7
113.02471	1.3
118.80509	0.6
119.05049	2.0
121.02956	1.6
123.04545	3.3
133.02901	0.7
133.06627	0.8
134.01132	0.6
137.02481	3.8
138.03308	0.8
139.04022	1.4
145.02969	2.3
146.03874	1.3
147.04544	1.3
148.05289	1.6
151.03975	1.4
158.03737	1.6
159.04538	0.9
161.04674	1.0
163.03983	0.7
170.02232	2.3
173.02449	5.0
174.01770	1.0
174.03244	14.4
175.03638	0.8
186.03290	0.7
186.95007	0.7
187.04053	1.3
188.04808	2.2
189.05656	0.7
191.03476	2.1
191.07140	2.2
201.02007	0.7
202.02760	4.3
206.02156	1.8
209.06181	0.7
214.02788	2.1
215.03520	6.1
217.05013	1.1
220.03810	2.8
221.06146	1.3
223.07657	1.8
223.09795	6.1
229.05045	4.0
232.05247	1.0
233.06120	1.6
235.07651	1.9
237.05602	1.2
238.04750	0.8
239.07159	2.6
248.04776	1.3
249.05524	3.3
250.06320	1.3
251.07138	8.5
255.71303	0.7
261.05600	2.2
262.06314	1.7
263.07175	3.0
264.07849	3.0
265.05133	1.4
267.06604	9.3
268.07367	0.9
277.05017	3.6
278.06003	1.1
278.09143	0.8
279.06662	11.1
280.07281	0.8
281.08057	1.1
282.08969	4.7
283.09482	0.9
284.03293	4.2
285.04059	6.5
289.05215	2.7
290.05725	0.9
291.06805	0.8
292.07474	1.8
293.04587	2.0
293.10535	1.4
294.05307	3.4
294.09042	4.3
295.06226	5.0
297.11307	2.6
304.07504	2.6
305.04694	4.8
307.06149	3.0
308.06952	4.3
309.07703	5.7
310.08450	2.2
311.05664	1.1
320.06924	2.9
321.07690	1.7
322.08545	4.5
323.05624	10.3
323.09250	3.5
326.08078	4.4
327.12338	1.9
329.13647	0.8
335.09293	2.0
337.07123	1.6
338.08035	11.3
341.10336	26.7
342.10632	1.5
353.10333	100.0
354.10648	7.2
371.11307	15.3
372.11954	0.9
383.11572	2.0
395.11359	7.3
489.10370	5.8
489.16980	1.3
490.10800	0.9
494.22620	0.7
515.15106	0.8
533.19745	11.6
534.19354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17538	3.0
57.03457	21.6
59.01401	8.4
70.65047	7.1
70.65438	8.1
73.34203	3.3
83.95806	3.0
85.02960	100.0
87.00874	6.6
89.71852	4.2
91.33073	3.4
92.92820	4.1
94.09475	3.8
147.02989	4.8
161.98039	3.5
182.59404	3.3
184.28049	3.6
191.02003	94.2
191.05650	5.0
320.71307	3.7
328.31769	4.0
474.23300	3.7
490.65976	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	533.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	11.9
57.84804	3.9
59.01369	8.9
70.40057	3.9
71.01394	5.9
71.52538	5.1
71.52899	5.2
84.02137	4.6
85.02959	100.0
87.00894	5.6
117.01988	5.5
129.01952	5.9
129.18446	3.6
141.06717	3.8
147.03044	8.1
191.02014	76.4
443.12592	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	533.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.8
59.01395	7.7
71.01398	4.1
71.01756	1.0
71.54980	1.9
73.02920	1.0
73.75410	0.7
75.00890	2.0
83.01395	1.4
84.95119	2.2
85.02961	20.5
87.00850	1.5
89.02457	2.5
93.03466	1.8
96.96001	3.1
101.02474	1.7
109.02959	1.5
113.02442	2.3
116.92850	1.3
117.03489	3.9
118.86787	1.0
119.04993	0.9
129.01982	1.9
133.03020	1.7
135.04521	3.6
143.05032	1.0
147.03000	2.7
147.04497	1.1
149.02428	1.6
161.02429	2.2
163.04013	1.5
175.04019	2.0
177.01999	1.2
177.05670	0.9
179.03581	1.3
179.10783	1.0
189.01917	1.4
191.01973	9.2
191.03543	2.3
195.89888	0.9
203.03716	1.2
207.10332	0.8
209.03033	8.3
219.02948	1.2
249.06224	1.1
253.08682	3.2
267.06723	1.5
275.38843	0.9
281.04486	1.2
282.05365	2.4
283.06110	3.3
287.09180	1.7
295.06055	6.0
296.06812	1.8
297.04388	1.1
297.07687	15.3
298.08011	1.9
307.06015	1.2
309.04166	1.2
309.07761	2.8
311.05588	3.7
323.05688	4.8
325.07169	7.3
327.05225	1.7
328.06009	5.0
328.09277	0.9
335.05661	1.2
337.07126	3.2
341.06406	1.3
353.06674	28.8
354.07083	2.3
365.06644	5.6
383.07724	25.2
383.12555	1.2
384.08215	1.2
395.07751	2.4
407.07907	1.3
413.08694	3.7
425.08786	2.1
443.09839	14.7
443.15530	1.5
473.11035	6.7
515.11438	1.8
533.12994	100.0
534.13666	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	533.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.8
59.01395	7.7
71.01398	4.1
71.01756	1.0
71.54980	1.9
73.02920	1.0
73.75410	0.7
75.00890	2.0
83.01395	1.4
84.95119	2.2
85.02961	20.5
87.00850	1.5
89.02457	2.5
93.03466	1.8
96.96001	3.1
101.02474	1.7
109.02959	1.5
113.02442	2.3
116.92850	1.3
117.03489	3.9
118.86787	1.0
119.04993	0.9
129.01982	1.9
133.03020	1.7
135.04521	3.6
143.05032	1.0
147.03000	2.7
147.04497	1.1
149.02428	1.6
161.02429	2.2
163.04013	1.5
175.04019	2.0
177.01999	1.2
177.05670	0.9
179.03581	1.3
179.10783	1.0
189.01917	1.4
191.01973	9.2
191.03543	2.3
195.89888	0.9
203.03716	1.2
207.10332	0.8
209.03033	8.3
219.02948	1.2
249.06224	1.1
253.08682	3.2
267.06723	1.5
275.38843	0.9
281.04486	1.2
282.05365	2.4
283.06110	3.3
287.09180	1.7
295.06055	6.0
296.06812	1.8
297.04388	1.1
297.07687	15.3
298.08011	1.9
307.06015	1.2
309.04166	1.2
309.07761	2.8
311.05588	3.7
323.05688	4.8
325.07169	7.3
327.05225	1.7
328.06009	5.0
328.09277	0.9
335.05661	1.2
337.07126	3.2
341.06406	1.3
353.06674	28.8
354.07083	2.3
365.06644	5.6
383.07724	25.2
383.12555	1.2
384.08215	1.2
395.07751	2.4
407.07907	1.3
413.08694	3.7
425.08786	2.1
443.09839	14.7
443.15530	1.5
473.11035	6.7
515.11438	1.8
533.12994	100.0
534.13666	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	533.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.8
59.01395	7.7
71.01398	4.1
71.01756	1.0
71.54980	1.9
73.02920	1.0
73.75410	0.7
75.00890	2.0
83.01395	1.4
84.95119	2.2
85.02961	20.5
87.00850	1.5
89.02457	2.5
93.03466	1.8
96.96001	3.1
101.02474	1.7
109.02959	1.5
113.02442	2.3
116.92850	1.3
117.03489	3.9
118.86787	1.0
119.04993	0.9
129.01982	1.9
133.03020	1.7
135.04521	3.6
143.05032	1.0
147.03000	2.7
147.04497	1.1
149.02428	1.6
161.02429	2.2
163.04013	1.5
175.04019	2.0
177.01999	1.2
177.05670	0.9
179.03581	1.3
179.10783	1.0
189.01917	1.4
191.01973	9.2
191.03543	2.3
195.89888	0.9
203.03716	1.2
207.10332	0.8
209.03033	8.3
219.02948	1.2
249.06224	1.1
253.08682	3.2
267.06723	1.5
275.38843	0.9
281.04486	1.2
282.05365	2.4
283.06110	3.3
287.09180	1.7
295.06055	6.0
296.06812	1.8
297.04388	1.1
297.07687	15.3
298.08011	1.9
307.06015	1.2
309.04166	1.2
309.07761	2.8
311.05588	3.7
323.05688	4.8
325.07169	7.3
327.05225	1.7
328.06009	5.0
328.09277	0.9
335.05661	1.2
337.07126	3.2
341.06406	1.3
353.06674	28.8
354.07083	2.3
365.06644	5.6
383.07724	25.2
383.12555	1.2
384.08215	1.2
395.07751	2.4
407.07907	1.3
413.08694	3.7
425.08786	2.1
443.09839	14.7
443.15530	1.5
473.11035	6.7
515.11438	1.8
533.12994	100.0
534.13666	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	533.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.3
59.01386	0.8
62.52478	0.1
63.96306	0.1
71.01388	0.4
75.00875	0.2
78.95924	1.2
79.95755	3.0
83.01392	0.2
85.02976	1.1
85.04087	0.1
86.03303	0.1
89.02464	0.2
96.96024	100.0
97.95960	0.2
98.20670	0.3
101.02460	0.2
119.05077	0.3
123.04552	0.3
125.02403	0.4
128.03569	0.2
129.01936	0.2
130.20265	0.1
137.02470	0.2
138.45990	0.1
157.06319	0.2
161.04678	0.2
167.03511	1.2
181.08701	0.2
191.01941	0.4
205.08546	0.2
209.08186	0.2
209.36554	0.1
223.09755	0.4
260.85031	0.2
265.00320	0.2
273.07742	1.5
301.03589	0.2
320.09311	0.5
321.09332	0.2
329.03476	0.2
341.10358	0.1
353.10251	0.3
371.04553	0.3
435.13019	0.3
533.20526	1.1
533.29138	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	2.6
57.03453	5.8
59.01387	23.6
61.98846	2.9
71.01389	12.1
71.55025	1.6
72.99342	2.3
73.02958	1.6
75.00880	11.5
79.95713	1.5
81.51153	1.6
83.01397	2.9
84.95125	2.1
85.02966	45.1
87.00902	2.5
89.02479	6.3
93.03488	2.4
96.96025	15.3
99.00939	2.1
101.02478	7.8
103.18169	1.5
109.02975	1.5
113.02480	5.4
117.03490	2.1
119.03566	2.5
121.02972	3.2
123.04556	1.8
125.02441	2.1
129.01959	5.5
133.02977	14.4
135.04558	6.1
137.02455	2.2
147.03050	7.6
149.02493	3.2
153.09341	1.3
161.02415	2.8
163.00435	2.6
163.04053	3.5
165.01949	2.5
165.04063	14.0
165.20427	1.3
175.04041	3.5
177.01811	1.9
177.87468	1.6
179.03612	2.2
179.10829	2.3
183.33972	1.6
191.01997	17.8
191.03537	2.3
193.01326	2.3
199.04030	2.1
209.03081	3.3
209.08121	1.5
213.05621	1.4
217.93008	1.5
223.09772	3.0
255.02754	1.5
267.07111	4.5
284.03302	8.1
285.04132	6.7
297.04102	13.6
297.07675	3.5
298.04825	9.7
299.05640	18.3
305.52826	1.3
309.03757	1.6
311.05661	3.6
323.05481	3.0
325.07294	2.2
327.05142	100.0
328.05560	6.5
339.05035	3.4
341.10175	2.1
353.06519	5.3
353.10385	3.8
357.06204	19.2
365.06583	1.8
369.06030	2.0
371.09473	6.8
383.07791	4.5
385.14993	2.0
429.08331	4.2
443.09839	2.4
447.09277	2.9
489.10428	31.8
490.11200	1.9
533.12061	14.7
533.20197	7.8
534.13257	1.8
543.79047	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88754	0.4
55.01878	1.0
57.03453	5.3
58.39429	0.4
59.01391	7.2
68.99854	0.6
69.49402	1.7
69.49833	1.5
71.01391	5.7
72.99316	1.4
75.00894	1.0
77.75900	0.5
83.01388	1.5
83.05161	0.4
84.02190	1.6
85.02963	55.8
85.84677	0.4
86.03289	1.0
87.00892	1.2
89.02448	3.6
96.00990	0.5
96.96022	1.3
99.08160	0.7
100.29677	0.5
103.00392	1.6
113.02464	0.8
115.00388	1.1
120.01259	1.6
129.01970	3.9
132.98201	4.1
133.01450	4.3
135.04568	3.2
147.03021	4.7
157.01720	0.5
161.02498	0.9
170.82057	0.5
175.02492	1.3
179.03513	1.3
191.02002	17.7
209.03052	100.0
210.03450	2.8
257.07162	2.8
259.05072	1.8
297.07956	0.6
301.06165	0.6
353.05472	0.7
370.50638	0.4
371.06265	6.3
372.06570	0.6
403.12817	1.1
533.18964	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81110	1.3
57.03448	2.0
59.01376	6.0
68.84115	1.1
69.01698	1.0
71.01373	3.9
71.31721	2.0
75.00893	5.8
78.69059	1.0
83.50336	0.9
85.02959	10.8
89.02465	1.1
93.03483	1.3
96.95989	4.6
109.02963	2.1
113.02448	1.6
117.03454	2.3
119.05024	1.4
121.02941	2.2
121.49783	1.1
125.02425	1.7
129.01962	1.7
133.02969	12.6
135.04538	2.8
137.02428	2.1
147.02975	2.4
147.04440	1.3
149.02448	3.1
149.18573	1.0
158.41272	1.3
161.02469	2.4
163.03993	5.0
165.01917	2.3
165.04085	8.2
175.03979	3.7
179.10759	2.5
189.01938	1.2
191.01944	4.4
191.03499	2.2
193.01506	1.5
201.02049	1.1
209.02928	1.8
215.03658	1.2
223.09720	2.5
227.03566	1.2
240.04407	1.6
282.05389	1.3
283.06012	2.3
284.03247	9.5
285.04031	5.2
295.06128	2.6
297.04019	13.8
297.07672	6.6
298.04831	7.4
299.05627	17.6
309.04062	1.6
311.05515	3.8
321.59778	1.1
323.05798	1.9
325.03546	1.2
325.07144	3.9
327.05124	100.0
328.05511	8.0
335.05527	1.2
337.07141	1.8
339.05005	4.3
341.06580	2.7
353.06735	14.3
357.06204	18.8
365.06693	3.7
371.09622	1.3
371.13614	1.4
383.07828	11.2
393.06131	2.4
429.08264	2.8
443.09799	7.2
473.10953	2.7
489.03647	2.2
489.10431	28.8
490.10892	2.2
497.26230	1.7
533.12939	44.1
533.20508	2.8
534.13049	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	533.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21015	0.6
55.01872	1.9
57.03453	11.9
59.01157	0.7
59.01391	8.1
70.42081	2.0
71.01399	4.0
72.99311	2.0
75.00887	1.6
78.89359	0.6
83.01398	1.8
83.24936	0.7
84.02170	2.8
85.02957	100.0
86.03307	1.4
87.00892	1.5
89.02470	1.3
91.02882	0.6
96.96021	1.2
98.19958	1.0
99.00919	0.9
100.64736	0.6
101.02471	1.1
103.00406	1.7
109.02966	9.2
113.02489	0.8
115.00387	1.7
120.01289	0.8
129.01953	16.0
133.01404	0.9
135.04546	3.5
136.49310	0.7
145.02971	5.1
147.03003	13.1
159.04555	0.7
161.02489	1.4
161.06082	3.8
173.00969	1.8
179.03522	2.3
187.04013	1.5
191.01988	49.6
192.02342	1.1
209.03043	21.0
228.38803	0.6
239.03491	1.0
240.04320	0.9
253.05135	1.5
255.06635	1.3
267.07565	0.7
273.12717	0.7
281.04572	5.7
297.07751	3.0
307.76166	0.8
323.05673	1.6
341.06735	10.1
342.07025	1.2
471.09280	0.8
515.08325	4.0
533.09564	4.8
533.18359	1.1
558.29089	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
74.13870	0.2
74.76918	0.3
78.95913	5.8
106.63721	0.3
115.20492	0.3
116.87281	0.2
129.76135	0.3
140.01233	1.7
152.99594	0.6
177.78879	0.3
181.75186	0.3
196.03868	1.2
214.04889	3.0
241.00851	0.3
255.23352	1.1
284.01547	0.3
335.25943	100.0
336.22202	0.4
336.26273	7.5
480.30869	0.8
532.30511	8.4
533.30994	0.8
537.07605	0.3
539.92761	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0943
Annotation	Kaempferol 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
52.55729	1.4
59.01391	1.8
59.24728	1.1
63.02393	1.6
69.52545	2.1
69.52952	5.9
69.63397	1.3
83.01396	2.0
85.02963	5.0
107.01434	2.3
119.05045	2.2
121.03004	1.1
133.02988	5.2
133.18082	1.4
134.03763	2.1
139.03967	1.8
151.00375	5.0
151.04076	1.4
161.00945	1.1
175.03946	1.9
191.02010	1.7
199.04039	2.4
201.01938	1.3
209.04707	1.6
217.05139	1.8
223.09796	3.7
241.05156	1.7
251.09177	1.7
256.03815	5.7
284.03302	73.6
285.04074	99.0
286.04428	4.5
293.10379	8.3
323.11417	6.2
353.12213	1.4
391.11465	1.3
447.09021	1.8
489.10437	100.0
490.10925	8.7
533.20319	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	531.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36792	1.3
57.03455	4.2
58.02109	1.4
59.01387	41.1
61.98834	13.6
68.44167	1.2
69.38062	11.8
71.01390	23.9
72.99324	2.8
73.02976	7.2
75.00884	4.5
82.95421	2.4
83.01406	2.4
83.05022	1.5
85.02958	15.8
87.00884	3.5
89.02459	12.0
93.89498	1.3
95.01405	2.0
96.96013	6.3
97.06599	1.3
99.00893	4.5
101.02457	12.4
111.00910	1.6
113.02454	10.8
119.03522	3.7
119.05046	2.6
123.08112	1.7
125.02460	2.1
129.01959	1.9
132.02245	2.6
149.02484	1.4
149.04599	4.9
151.07681	4.0
161.04585	6.1
162.03716	1.5
163.04047	2.0
164.07257	2.0
171.07304	1.5
191.05637	3.0
209.08200	1.5
237.05620	2.3
238.06392	2.0
243.77187	1.6
249.06114	4.4
253.05037	7.8
254.05927	2.2
267.03085	1.6
267.07211	9.3
268.03735	3.4
280.03854	2.7
281.04581	10.5
282.05362	51.1
283.05951	8.5
289.41187	1.6
292.04010	1.6
293.04706	1.9
294.05396	4.6
295.06165	4.7
296.06714	1.8
297.07678	12.8
298.35355	1.6
307.06097	2.5
309.07660	2.5
310.04837	20.6
322.04807	4.6
325.07196	100.0
326.07599	7.6
328.05853	2.3
331.24881	3.3
337.07227	7.6
340.05838	3.9
355.08228	25.4
369.23273	2.2
369.96088	1.5
399.24097	6.6
409.09244	3.1
427.10483	7.5
445.11325	5.2
487.12570	27.1
488.12863	4.0
489.27252	1.7
531.28607	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	531.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
59.01384	4.7
61.98826	1.4
62.81205	0.4
69.46686	1.2
69.47118	1.5
71.01390	2.9
73.02965	0.9
74.15379	0.3
74.70733	0.4
75.00909	0.4
81.14355	0.3
82.73589	0.4
82.95446	0.8
83.01393	0.5
85.02960	2.8
87.00897	0.6
89.02468	1.7
93.03436	1.9
96.96040	1.0
99.00889	0.4
101.02476	1.3
107.01410	0.7
111.04420	0.5
113.02457	1.1
119.05038	100.0
120.05373	2.7
125.02468	0.6
127.67964	0.4
129.01901	0.6
133.02991	1.5
134.03743	0.4
137.02451	1.6
147.03033	0.5
149.02449	0.4
149.04607	0.5
151.00423	1.3
161.09738	1.1
163.04024	81.4
163.42230	0.4
164.04387	2.3
166.64915	0.4
179.10791	0.9
184.05295	0.4
191.01978	0.5
191.05673	0.4
199.04056	0.6
227.03445	0.6
256.03760	2.7
284.03290	18.5
285.04044	19.9
286.04449	1.2
299.05600	4.4
307.08261	9.5
307.11746	0.6
308.08884	0.7
325.09253	1.4
367.10663	0.5
487.19934	0.5
495.19547	0.5
531.15045	20.2
531.28369	1.9
532.15533	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	531.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
59.01387	100.0
60.12674	1.7
69.03471	2.0
71.05029	2.5
71.54330	3.0
79.30104	1.9
99.08121	2.7
101.18845	1.9
111.08167	8.0
113.97932	1.9
115.04020	2.2
119.04974	2.1
135.08206	2.2
153.09203	8.6
155.07127	8.8
171.10289	38.1
173.08231	15.5
181.97789	1.9
197.08229	3.5
197.19104	7.1
215.09261	97.0
216.09625	3.3
225.22290	2.7
233.10359	15.4
255.23293	7.8
297.24249	3.0
315.25412	76.0
316.25916	3.0
513.34113	2.7
531.35559	19.3
532.35791	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	530.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	3.5
70.21848	0.5
71.01385	1.4
71.54932	0.6
75.00883	1.4
75.39662	0.5
78.95914	17.4
85.02944	1.7
91.58896	0.5
103.00433	0.5
110.30402	0.5
113.02449	1.0
152.99597	2.3
168.04279	2.6
173.39030	0.5
224.06960	7.1
242.08099	1.5
255.23323	100.0
256.23688	4.7
279.23294	1.5
280.23734	3.0
340.99344	0.5
480.30984	62.4
481.31329	4.7
530.30511	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	531.115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.2
59.01384	37.3
60.39194	1.5
61.98834	15.0
69.03487	1.5
69.44982	12.3
71.01387	21.4
72.99320	2.0
73.02939	6.7
75.00871	2.8
82.95429	3.7
85.02956	14.3
87.00897	3.8
89.02448	10.5
91.32117	1.7
93.03438	1.7
96.96037	3.6
99.00893	3.9
99.04490	1.7
101.02440	10.3
110.23383	1.4
113.02438	9.3
117.58642	1.4
119.03486	3.2
119.05023	3.2
132.02197	4.5
149.04578	4.2
151.07607	2.0
161.04622	2.3
163.04140	1.7
166.38440	1.5
191.05464	2.0
209.06075	2.5
238.06235	1.9
249.06152	3.5
253.05037	6.0
254.05963	3.0
267.03082	2.2
267.07257	10.5
268.03653	3.0
280.03845	3.0
281.04599	9.6
282.05334	44.1
283.06003	7.4
293.04660	3.4
294.05368	3.6
295.06189	5.5
297.07629	8.4
309.07751	3.8
310.04861	22.6
322.04861	4.5
325.07196	100.0
326.07611	7.5
337.07141	10.9
340.06012	3.3
355.08188	24.5
356.08234	2.0
367.08078	1.9
399.24081	3.6
409.09259	2.2
427.10410	7.6
445.11215	6.6
487.12515	29.9
488.12872	2.4
531.28265	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	529.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70014	0.2
57.03217	0.3
57.03463	1.2
59.01387	100.0
60.01717	0.5
60.54290	0.3
64.81599	0.2
69.19041	0.6
69.19446	2.1
81.03484	0.3
84.02177	0.3
85.03018	0.3
141.12863	4.8
167.14479	0.3
169.15988	10.9
181.15981	0.8
197.15419	0.3
197.19122	2.8
199.17043	4.5
209.19154	1.8
209.21027	0.2
225.18605	0.5
227.20209	12.0
228.20360	0.4
241.18118	12.1
242.18544	0.8
259.19165	26.7
260.19611	0.8
269.21271	7.4
270.21649	0.3
287.22318	68.9
288.22696	3.5
301.20230	5.1
302.20486	0.4
313.54358	0.3
315.25415	0.7
329.23352	1.1
334.00732	0.3
493.39270	0.4
511.40002	4.5
512.40576	0.6
529.41211	12.5
530.41504	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.0
59.01386	100.0
71.54243	0.7
71.54696	1.0
83.05038	3.5
95.05044	3.9
113.06115	2.9
120.73672	0.6
123.08160	3.5
125.09826	0.8
135.08199	1.7
139.83742	0.6
152.99634	0.8
153.09233	4.7
169.12309	4.0
186.52132	0.7
197.19159	8.2
213.08276	0.8
213.11345	21.4
225.22304	2.4
231.12390	28.3
232.12799	0.9
235.20766	0.6
237.22298	1.1
255.23338	9.2
273.13446	5.8
279.23508	0.7
297.24350	6.5
298.24796	0.7
315.25418	58.8
316.25827	3.0
357.26364	0.7
511.36627	6.4
512.37286	0.9
529.37524	11.9
530.37683	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17992	0.6
53.71213	0.6
57.03449	0.9
58.65333	0.6
59.01386	100.0
64.90086	0.6
69.70458	2.5
81.03483	1.2
83.27718	0.5
97.14502	0.7
98.20611	1.1
103.48129	0.7
122.47601	0.6
141.12888	4.8
155.14359	0.8
169.16019	6.3
181.15974	0.8
197.19119	1.0
197.29649	0.6
199.17059	7.4
208.18475	0.6
209.19226	0.9
223.17189	0.7
227.20193	5.3
241.18126	10.7
259.19174	18.3
269.21265	10.4
280.63995	0.7
287.22321	18.3
288.22687	0.9
301.20276	9.8
329.23349	10.7
451.38086	0.7
511.40106	21.2
512.40411	2.3
529.41150	44.3
530.41492	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	529.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.3
59.01386	100.0
70.28848	1.8
70.35599	0.6
71.05046	0.5
81.03452	0.9
103.34274	0.5
104.50351	0.6
127.11294	1.2
141.12895	3.6
169.15994	7.5
171.38066	0.6
181.16003	0.9
193.59085	0.6
197.19110	2.2
199.17055	4.3
209.19101	1.5
227.20158	7.0
241.18105	12.6
241.20540	0.6
242.18365	0.6
259.19156	15.8
260.19522	0.7
269.21216	8.1
283.19101	0.8
287.22308	22.9
288.22629	0.9
301.20248	16.5
329.23309	4.6
352.00244	0.7
451.37952	0.8
511.40042	22.1
512.40186	1.6
529.32220	2.2
529.41083	36.1
530.41266	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	529.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59542	1.0
55.01875	1.5
57.03451	6.2
59.01384	21.7
61.98840	4.6
69.03453	1.6
69.31047	8.5
71.01389	8.7
71.05058	1.3
72.99322	1.6
73.02952	5.3
74.05210	1.0
75.00867	1.2
78.95903	4.2
80.91676	2.0
83.01389	2.2
83.05041	4.4
85.02959	16.6
85.06582	1.9
87.04529	1.1
88.98813	1.2
89.02436	3.4
93.03478	1.2
95.05028	2.1
96.96008	8.4
97.06592	8.9
99.00875	2.4
99.04498	2.2
99.08173	1.7
101.02449	4.2
107.08690	2.0
109.02950	2.5
109.06604	7.8
111.04518	4.4
111.08170	0.9
113.02432	3.4
113.06095	3.5
114.90678	0.9
119.03497	1.1
119.04981	2.0
123.08168	6.6
125.02496	1.2
125.06103	1.6
125.09730	8.5
127.07664	12.4
127.11255	1.1
128.03543	2.3
129.01949	2.1
131.03471	1.3
133.06613	1.1
135.03009	1.0
136.05316	19.9
137.02457	2.6
137.09689	1.4
140.04800	2.5
141.05623	4.5
141.09216	1.1
147.03001	1.6
149.04524	1.4
149.09761	5.7
150.06824	1.5
151.07661	100.0
152.07988	3.1
157.12375	1.4
161.04585	1.8
169.08720	9.0
169.12413	1.3
170.15569	0.9
171.00595	1.8
191.01888	2.5
199.07669	4.6
209.02989	2.3
209.11852	3.4
221.19189	1.0
263.16495	1.4
281.21262	1.1
283.13403	2.1
306.12457	1.3
315.25458	1.7
329.23318	3.9
353.08176	1.0
371.28091	1.1
372.32632	1.0
373.29617	1.3
439.34369	1.6
441.35913	13.9
442.36154	1.1
467.33826	50.4
468.34137	5.5
485.34903	77.0
486.35281	6.9
529.12915	1.5
529.26056	3.4
529.32977	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
58.00607	0.4
59.01387	9.4
65.76112	0.3
69.23715	0.5
69.24118	2.6
71.01392	6.7
72.99325	0.4
73.02957	0.7
78.31536	0.3
83.01389	0.6
85.02960	1.5
86.29342	0.3
87.00878	1.0
88.88798	0.3
89.02458	5.9
92.12817	0.3
95.01405	0.5
96.96004	0.5
97.06600	0.3
101.02457	7.4
111.08134	0.7
113.02469	3.3
119.03520	1.7
143.03531	0.4
161.04578	3.3
167.10843	0.5
176.30167	0.3
179.05637	1.5
195.13928	9.3
196.14568	1.0
205.12358	0.6
205.15921	0.4
211.13435	0.6
223.13428	6.3
224.13988	0.4
228.13637	0.6
253.09323	31.3
254.09578	0.7
256.13217	1.1
275.20187	5.0
293.21259	100.0
294.21609	6.7
333.05042	0.4
492.22076	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45206	0.4
53.29573	0.4
57.03471	0.4
57.37690	0.4
58.00613	0.5
59.01389	8.9
60.06026	0.5
61.98842	0.7
67.95713	0.3
71.01393	5.7
72.99323	0.5
73.02966	1.0
83.01397	0.9
83.05035	0.6
85.02952	1.9
87.00883	0.8
88.97714	0.4
89.02463	4.9
90.02864	0.4
92.20197	0.4
96.95989	0.9
98.20676	1.0
101.02451	6.8
103.50038	0.4
111.08164	0.5
113.02473	2.4
115.37640	0.4
119.03501	1.3
143.03542	0.6
147.85822	0.4
160.84203	0.8
161.04565	3.8
161.62564	0.4
179.05598	1.0
179.14476	0.7
195.13918	8.2
196.14343	1.0
205.12364	0.5
209.11806	0.7
211.13475	0.6
223.13406	4.9
224.13986	0.4
235.08377	0.5
253.09319	28.2
254.09729	1.2
256.13199	1.3
265.21957	0.5
275.20193	5.4
287.14221	0.4
291.19775	1.4
292.19949	1.2
293.21268	100.0
294.21570	6.4
357.81879	0.5
442.99655	0.5
478.96994	0.5
492.22284	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08601	0.4
55.01879	0.7
57.03444	2.1
59.01391	10.5
61.79701	0.6
61.96254	0.5
61.98826	1.2
67.01897	0.6
68.99830	1.2
69.03458	2.0
71.01389	12.7
71.54860	0.7
72.99316	2.7
73.02951	1.5
75.00883	9.8
81.03500	0.7
83.01406	1.1
83.05035	0.9
85.02961	14.9
85.04056	2.4
86.03329	0.5
87.00877	3.5
87.05633	0.6
88.98814	0.9
89.02450	3.8
91.04024	0.9
93.03453	1.0
95.01409	3.2
95.05038	0.9
96.96012	2.2
97.02956	2.9
97.06573	1.1
99.00894	4.8
101.02439	0.7
103.00363	1.6
109.02985	1.9
109.06592	1.1
109.68470	0.5
111.00920	0.7
111.04517	1.7
112.01662	0.5
113.02467	15.5
115.00356	1.7
117.01951	1.9
121.06606	1.7
122.03766	4.2
123.04528	0.5
123.08198	0.6
124.05273	0.5
125.02364	0.7
125.03152	0.7
126.03814	0.5
128.03542	3.6
129.01958	1.9
136.05270	0.7
137.06091	3.3
139.07654	2.4
149.06097	0.5
157.01418	0.7
157.06210	2.5
162.06830	0.6
163.11215	0.5
169.04990	0.5
171.08195	0.9
174.05617	0.8
175.02513	1.5
177.12869	1.1
178.06186	0.5
187.11267	4.0
189.09271	0.7
190.10049	1.2
191.01942	0.6
195.49034	0.5
205.07094	0.8
205.12343	7.3
213.09207	0.5
217.12288	0.7
231.05122	1.6
231.10254	1.3
235.13466	0.9
242.08601	0.6
249.06172	24.2
261.11301	0.8
263.16602	0.5
267.07230	23.1
268.07211	0.7
279.12433	5.2
286.10526	1.1
335.12402	0.5
337.81613	0.5
343.13095	0.5
368.95587	0.5
403.15265	1.0
511.18484	2.1
529.19330	100.0
530.19727	9.8
531.28534	0.5
536.48090	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49405	0.2
59.01369	0.3
61.98845	0.2
69.36559	1.5
71.01384	0.3
74.12437	0.2
79.95744	3.2
96.96023	100.0
99.96594	0.2
101.29925	0.3
138.16704	0.2
269.88565	0.2
283.06241	0.5
311.02597	0.2
311.05646	1.3
431.09808	1.6
552.30701	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	3.6
59.01114	0.9
59.01387	12.7
61.98829	1.1
67.01883	0.8
68.85312	0.5
68.99807	1.7
69.03461	1.5
71.01389	12.8
71.55065	0.9
72.99318	3.2
73.02952	1.6
75.00471	0.9
75.00882	10.5
81.03453	1.0
83.01398	1.2
85.02964	14.7
85.38485	0.6
87.00896	4.1
89.02453	3.9
91.04027	0.8
93.03460	1.2
95.01405	2.5
95.05038	1.3
96.96002	3.0
97.02950	2.5
97.06589	0.8
99.00906	6.2
103.00391	1.6
108.02212	0.6
109.02956	1.7
109.06596	2.3
111.00898	0.7
111.04556	1.6
113.02464	18.3
114.88877	0.6
115.00365	1.2
117.01966	1.7
119.08644	1.1
121.06602	1.4
122.03749	3.6
122.06134	1.2
123.04556	1.0
124.05348	3.2
125.36813	0.6
129.01956	2.1
131.03520	1.0
137.06122	3.3
137.09717	0.8
138.05655	0.6
139.07668	10.4
146.06137	3.0
147.06505	1.3
147.08157	1.2
164.03494	1.1
168.07906	2.4
171.08141	0.8
175.02513	1.4
177.12828	0.8
187.11305	6.8
196.06149	0.8
198.59807	0.6
203.05911	0.9
205.07310	1.2
205.12340	9.5
206.07790	0.6
206.12454	0.7
207.05045	0.7
210.09758	0.6
217.12378	0.6
231.05083	1.6
231.10274	2.6
249.06194	25.9
250.06625	1.0
261.11566	0.8
267.07248	23.1
268.07513	0.8
271.10883	1.1
279.12451	2.3
289.11981	1.8
314.12302	0.9
316.14005	0.8
328.13849	2.0
335.12476	0.9
346.14627	0.8
393.91736	0.6
453.18774	1.1
493.23291	1.1
497.17511	1.4
511.18643	0.9
529.19324	100.0
530.19659	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	527.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	17.6
69.24036	100.0
79.04433	13.0
85.02976	11.2
98.20757	11.9
102.49737	9.7
119.05064	45.6
150.37756	11.9
249.06248	39.1
255.23289	15.4
335.77829	11.5
391.19019	30.3
527.30145	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	527.317
Annotation	Ferruginin C
Peak:m/z	Relative Intensity
59.01380	0.8
61.98825	0.4
71.08821	0.9
75.06230	0.4
78.17028	0.3
85.22332	0.3
91.01893	3.9
100.11344	0.3
108.02177	1.7
109.02966	0.8
123.00862	0.6
124.01683	0.4
132.05817	1.7
135.00909	7.8
148.01659	1.6
153.01935	3.2
158.03650	0.4
161.02455	2.5
164.04825	1.3
180.00601	1.3
181.06720	0.5
185.09811	0.6
187.11305	6.5
188.11757	0.4
197.06224	0.4
209.06131	0.7
213.09200	1.5
223.07655	1.3
224.04761	0.4
225.05579	1.0
235.07597	0.5
237.05644	1.1
239.07059	0.7
249.05833	0.4
251.07135	1.4
253.05081	2.2
265.04932	0.8
266.05963	2.1
267.06650	12.2
268.06979	0.7
279.06653	13.2
280.07089	0.7
293.11957	2.8
298.04843	3.2
305.11868	1.3
307.09857	0.9
321.11349	23.0
322.12088	13.9
323.12811	4.7
506.73956	0.4
527.31696	100.0
528.32062	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	527.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	5.5
59.01384	14.0
61.98830	4.3
69.03454	0.8
69.44045	2.2
69.44456	4.3
71.01390	3.7
71.05033	2.0
73.02964	2.3
74.47408	0.7
78.95936	1.5
83.05032	3.9
84.99246	0.7
85.02972	4.4
85.06595	2.3
89.02458	1.3
94.04236	1.1
95.05038	0.8
95.94724	0.9
97.06599	6.9
99.04536	2.5
99.08118	1.6
101.02435	1.6
109.02959	0.9
109.06594	5.9
111.04525	3.8
113.02441	2.1
113.06129	1.8
113.09733	1.6
121.02988	1.8
121.06611	0.9
123.04559	0.9
123.08186	6.5
125.02465	1.2
125.09719	6.2
127.07648	8.6
132.78352	0.9
133.06647	1.0
136.05315	25.1
137.02478	0.9
137.09776	1.2
140.04816	1.5
140.90346	0.9
141.05591	5.0
141.09204	1.6
150.06891	3.3
151.07666	100.0
151.67653	0.8
152.07996	3.2
153.17790	0.9
157.12352	2.3
169.08757	11.5
248.48883	1.0
279.04291	1.0
281.14117	1.5
281.21307	2.0
284.32495	0.9
313.23840	1.1
341.14908	0.8
386.12808	1.0
404.28394	0.8
425.25821	1.1
429.25162	0.9
439.34521	10.1
440.34857	1.1
447.31390	1.2
465.32257	57.3
466.32605	6.4
483.33362	57.6
484.33685	6.9
527.32892	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	527.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.3
58.00605	0.3
59.01386	5.9
61.30729	0.4
69.88578	1.8
71.01389	4.5
73.02963	1.0
80.47827	0.4
83.01422	0.5
83.05041	0.5
84.90115	0.3
85.02962	1.1
87.00894	0.6
89.02454	3.8
95.05003	0.6
101.02459	4.1
111.08179	7.9
112.08546	0.3
113.02437	2.3
119.03539	0.8
119.05033	3.3
123.08195	0.4
135.11865	0.4
137.09715	0.8
161.02480	1.0
161.04555	1.7
163.11211	0.4
167.10796	2.0
170.98384	0.4
177.12881	1.5
179.03494	0.5
179.05630	0.6
179.10796	1.6
195.13916	5.6
203.14384	0.7
209.11838	0.6
219.17526	0.4
235.08208	0.7
247.20702	2.0
253.09311	16.9
254.09665	0.5
273.18668	1.2
281.08151	0.6
289.68475	0.4
291.19684	100.0
292.20029	6.7
392.83273	0.4
407.18839	2.9
527.28613	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	527.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.1
59.91491	0.5
61.98837	23.2
63.96224	0.9
64.75974	0.5
70.00135	1.7
70.00546	1.0
71.01392	6.9
71.05005	0.6
72.58311	0.5
73.02952	1.6
77.73438	0.5
78.95898	1.5
78.98601	5.3
79.95741	8.2
80.96526	57.8
81.03454	1.0
85.02511	0.5
85.02974	3.2
87.00880	2.3
87.04507	0.6
89.02414	0.5
94.98100	12.8
95.01376	0.9
96.96004	3.4
97.02968	1.3
99.00886	1.0
101.02435	2.7
105.17420	0.6
106.98096	2.5
113.02474	1.0
122.97574	3.1
125.02483	3.7
128.03526	1.3
134.97604	4.4
135.04535	1.3
136.99127	0.9
148.99156	5.2
152.98643	5.4
157.06184	1.0
161.02415	1.5
161.09599	0.6
164.98647	10.8
167.10342	0.5
168.08423	0.6
169.86572	0.6
171.00851	0.6
179.03447	1.0
183.13911	5.3
198.69630	0.5
206.99658	2.5
225.00754	16.2
233.08324	1.2
242.67500	0.6
299.04404	2.3
455.19894	0.7
527.18042	100.0
528.18402	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	527.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11006	0.4
57.03441	0.4
59.01397	2.8
61.84614	0.4
61.98835	2.2
69.03459	0.8
70.08089	0.5
70.08433	1.4
71.01016	0.6
71.01387	7.5
72.99307	0.5
73.02946	1.8
75.00862	0.8
78.95907	1.4
78.98596	3.9
79.95741	8.6
80.96525	51.4
81.03436	1.0
83.01386	0.6
85.02957	4.1
87.00885	2.1
89.02450	0.8
94.98093	11.3
95.01393	0.7
96.96024	4.7
97.02947	0.8
99.00890	1.2
99.04542	0.5
101.02444	2.9
106.98092	2.8
111.10614	0.5
113.02441	1.3
115.08517	0.4
122.97594	4.4
125.02494	2.4
127.03995	0.9
134.97600	4.1
136.99115	1.0
143.00934	0.4
143.03415	0.5
148.99158	5.1
152.98645	6.0
164.98648	10.2
165.12843	0.6
171.00677	0.7
174.18504	0.4
182.99680	1.9
183.13928	4.5
191.02010	1.1
206.99725	3.6
225.00760	19.0
227.12851	0.5
243.01759	1.8
289.78439	0.5
299.01764	1.1
299.04498	1.7
314.04324	1.5
327.21677	0.7
329.06686	3.1
365.14636	0.4
527.18073	100.0
528.18433	8.0
539.47723	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72574	0.3
59.01385	0.9
61.98836	100.0
69.37622	2.6
69.49981	0.3
71.01395	0.6
85.02962	0.4
89.02451	0.5
96.96026	6.5
101.02470	0.7
208.66644	0.3
222.43251	0.3
316.19739	0.4
369.32602	0.3
408.12039	0.4
453.63809	0.3
466.23505	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	8.0
65.00350	2.0
71.01382	4.0
71.54785	2.9
72.99310	4.9
74.88988	1.9
75.00471	3.7
75.00876	50.6
89.00899	1.8
89.02447	9.1
99.00884	3.7
105.83066	1.9
117.01931	2.7
119.05035	27.1
120.05355	2.8
133.06555	6.8
135.03012	100.0
145.02870	2.2
157.06517	2.0
178.34042	1.8
186.03181	6.1
201.05579	9.1
203.03464	3.8
217.04962	2.4
229.04985	13.7
245.04597	4.7
246.05119	2.9
247.06018	4.3
256.04016	2.0
257.04620	3.4
262.72256	2.0
287.12885	5.6
310.44876	1.9
332.10449	2.5
336.06357	3.1
353.13855	4.4
363.12482	15.0
365.14078	2.4
376.09601	5.4
379.11804	37.0
379.16025	3.8
380.12268	3.2
381.13440	26.4
382.13931	3.8
391.11899	95.1
392.12180	9.1
393.13382	9.0
405.13187	3.9
407.11102	3.8
407.18677	32.8
408.18726	3.5
409.12964	17.6
435.14484	5.9
437.12344	11.3
457.36179	1.9
465.15292	2.7
467.12778	2.3
481.15207	3.0
492.82007	2.0
499.16028	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	527.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.1
59.91491	0.5
61.98837	23.2
63.96224	0.9
64.75974	0.5
70.00135	1.7
70.00546	1.0
71.01392	6.9
71.05005	0.6
72.58311	0.5
73.02952	1.6
77.73438	0.5
78.95898	1.5
78.98601	5.3
79.95741	8.2
80.96526	57.8
81.03454	1.0
85.02511	0.5
85.02974	3.2
87.00880	2.3
87.04507	0.6
89.02414	0.5
94.98100	12.8
95.01376	0.9
96.96004	3.4
97.02968	1.3
99.00886	1.0
101.02435	2.7
105.17420	0.6
106.98096	2.5
113.02474	1.0
122.97574	3.1
125.02483	3.7
128.03526	1.3
134.97604	4.4
135.04535	1.3
136.99127	0.9
148.99156	5.2
152.98643	5.4
157.06184	1.0
161.02415	1.5
161.09599	0.6
164.98647	10.8
167.10342	0.5
168.08423	0.6
169.86572	0.6
171.00851	0.6
179.03447	1.0
183.13911	5.3
198.69630	0.5
206.99658	2.5
225.00754	16.2
233.08324	1.2
242.67500	0.6
299.04404	2.3
455.19894	0.7
527.18042	100.0
528.18402	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	526.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41635	0.2
59.01387	1.1
61.98838	100.0
65.91463	0.2
69.97083	0.2
71.01389	0.4
71.15269	0.6
71.44096	0.2
75.27326	0.2
75.91589	0.2
80.96519	0.5
85.02958	0.6
96.96000	0.5
99.00894	0.3
101.02495	0.6
113.02479	0.4
188.42255	0.2
241.09608	0.3
432.15894	0.5
450.17047	0.3
484.59262	0.3
526.18671	0.8
527.18018	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54932	2.1
51.69180	2.0
53.65059	1.7
59.01389	20.8
61.98839	100.0
70.52690	1.8
71.01387	6.2
71.08918	3.2
73.02974	1.8
82.58105	1.8
101.02430	3.9
101.27055	1.7
102.46566	2.0
113.02502	2.5
132.01688	1.9
188.95103	2.0
203.16682	1.9
526.25238	1.8
552.98480	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	526.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81226	0.3
55.19548	0.3
57.03452	0.4
59.01376	1.9
59.20012	0.3
61.98838	100.0
62.74471	0.3
69.25089	3.0
71.01396	1.6
72.99313	0.4
74.50507	0.3
78.95948	0.5
79.95741	0.3
80.96532	0.8
85.02978	1.3
85.65556	0.3
87.00934	0.3
89.02470	0.3
89.31065	0.3
94.98106	0.4
95.62415	0.3
96.96036	5.1
99.00895	0.4
99.64305	0.3
101.02470	0.7
113.02468	0.5
125.02512	0.4
150.03244	0.3
210.92316	0.3
225.00815	0.4
267.07629	0.3
312.93091	0.3
406.79443	0.3
432.15961	1.0
526.18652	1.0
526.29242	0.5
527.18469	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3074
Annotation	Simplexin H
Peak:m/z	Relative Intensity
50.11731	0.6
51.03367	0.6
53.17860	0.6
57.03467	0.9
59.01388	100.0
60.01712	0.9
61.13115	0.6
61.98853	1.6
70.01926	2.6
71.01392	19.1
72.99338	1.3
73.02951	4.6
83.01398	1.9
85.02975	6.1
87.00901	3.8
89.02460	15.4
95.01411	1.9
96.96056	1.0
99.00927	0.7
101.02450	10.7
113.02474	18.2
119.03526	7.1
125.02451	0.8
131.03522	1.2
143.03505	1.8
151.07666	0.9
161.04594	3.8
161.68344	0.6
167.07193	0.9
179.05659	2.7
304.13412	0.6
465.28546	7.6
483.29684	14.8
484.30106	1.0
525.30780	1.5
526.31812	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.8
59.01377	1.4
62.18250	0.5
65.00336	2.1
68.49622	0.5
68.99833	0.6
70.21061	1.7
73.69455	0.5
83.01402	3.2
87.04526	0.8
95.01389	1.3
99.92567	0.8
107.01395	0.6
108.02155	0.7
110.00097	3.1
111.00893	1.5
116.92869	4.2
119.05004	0.6
121.06628	0.9
123.00842	0.8
124.01682	4.6
125.09769	0.7
125.99645	0.5
127.07664	1.7
132.05821	11.1
133.06653	0.6
135.08104	0.5
136.01671	0.5
136.98839	2.1
137.02393	0.7
137.99594	1.2
145.06581	0.7
147.06693	0.6
150.03244	1.8
151.00363	0.6
151.07663	0.7
152.01183	3.2
153.01921	0.9
156.05887	1.0
159.04526	0.8
159.06746	0.5
159.08127	0.7
161.06116	0.6
161.09753	1.4
163.00426	0.8
163.03995	1.4
163.07669	1.6
164.04840	5.9
166.02713	0.5
175.07655	0.7
177.05583	0.9
177.09265	1.1
178.02762	0.6
179.07085	1.2
181.08701	1.7
185.06108	0.5
185.09781	1.0
186.03169	0.7
187.11304	41.9
188.04807	1.0
188.11597	1.5
189.05576	0.9
191.07156	1.4
199.04034	0.8
200.04521	0.5
201.05641	0.8
203.07121	1.4
205.04991	0.8
205.08772	2.3
206.05894	1.0
207.06683	0.8
211.11305	5.1
212.11659	0.5
213.05585	1.2
213.09250	2.3
219.06789	0.7
219.10263	1.0
221.08199	21.5
222.08539	1.1
224.97771	0.6
229.12396	1.7
231.06670	3.1
231.10219	1.2
232.07204	0.5
233.08167	0.5
234.05289	1.2
235.06236	1.4
248.07077	0.7
249.07596	0.6
253.12439	0.6
255.10301	6.0
256.10678	0.6
257.11874	1.9
269.13956	3.7
309.11185	0.6
319.11938	0.9
325.10889	0.8
375.19806	0.6
377.17654	7.2
379.19397	0.7
391.19208	0.8
393.20627	0.7
395.18631	6.1
397.16687	0.9
404.90802	0.5
407.18530	0.7
415.17700	4.1
419.18787	6.0
420.18814	0.6
437.19717	8.9
465.13159	1.7
468.49716	0.5
490.11182	0.7
507.23917	4.9
525.24994	100.0
526.25299	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	525.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87339	0.4
55.01846	0.4
57.03437	1.1
57.69150	0.5
59.01385	3.1
59.04615	0.5
60.99016	0.8
60.99314	14.7
61.98837	2.0
67.25097	0.4
71.01398	3.3
72.99313	0.7
75.00875	1.9
81.64852	0.5
83.01392	0.6
85.02962	8.0
88.20908	0.5
88.98817	100.0
89.02451	0.7
93.03483	1.0
93.15652	0.5
101.02435	1.0
111.00896	1.0
113.02436	0.8
118.52010	0.5
119.05029	4.4
125.02436	0.5
125.09731	0.9
129.01982	3.0
137.02452	0.7
147.03049	0.8
163.04053	4.2
163.80350	0.5
167.03510	1.1
173.00922	0.7
191.02016	3.0
197.11905	0.5
273.07642	1.8
283.19229	0.5
317.12442	1.7
327.21799	3.4
337.05634	0.8
357.48318	0.4
372.40924	0.6
379.12381	1.1
505.57626	0.5
524.34857	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.7
57.06770	0.9
59.01389	13.5
61.01794	1.0
61.98824	2.9
66.41881	0.8
69.21627	1.7
69.22033	7.3
71.01385	6.1
73.02977	1.7
75.00886	2.2
83.01434	1.0
85.02966	5.6
87.00880	1.2
88.98801	1.4
89.02454	2.3
96.96022	2.3
97.06599	1.4
98.19927	1.4
101.02443	3.5
113.02473	2.5
119.05083	1.7
137.09792	0.9
142.81653	1.0
150.34401	0.9
160.12964	0.9
163.03986	1.4
171.10225	5.4
183.13890	1.6
191.02046	1.2
209.11888	1.4
211.13435	6.1
221.11755	1.3
223.55917	0.8
229.14360	5.9
239.12733	1.5
242.77475	1.0
291.19846	2.0
327.21802	100.0
328.22211	6.3
362.29868	1.3
363.30286	1.4
371.34753	1.1
524.35309	4.2
525.16669	0.9
525.24487	6.9
525.35974	7.5
554.40521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65953	0.7
57.03449	2.1
59.01368	1.7
65.00316	1.2
69.03470	2.0
71.54778	0.9
81.03473	2.9
83.01396	6.0
85.02964	2.6
87.04528	2.5
95.01393	2.5
97.02968	2.6
99.04537	1.5
99.20581	0.8
107.01415	1.0
107.05045	0.9
108.02189	1.0
110.00117	1.4
111.00887	2.3
113.02472	0.8
113.06119	0.8
121.06596	2.0
124.01659	0.8
125.02473	5.7
125.09724	3.2
127.07666	4.0
132.05832	39.7
135.08171	0.8
136.98764	1.1
137.02425	0.9
137.09807	1.1
139.07683	0.7
147.06758	1.5
147.08136	1.1
149.09711	1.5
151.07664	3.7
151.21881	0.7
152.01163	1.6
153.09230	2.5
156.05904	1.1
159.06673	1.9
159.08003	0.7
161.09758	1.3
163.00386	0.7
163.07692	3.1
164.04811	24.3
165.05298	1.0
167.10767	1.2
168.31374	0.7
177.05544	0.8
177.09219	2.6
179.07199	1.1
181.08717	3.0
187.11305	100.0
188.11635	4.7
191.10809	2.5
193.08640	1.0
201.07678	0.9
203.07143	0.9
205.08740	5.7
207.06639	1.9
211.11365	5.4
213.09248	2.8
217.08699	0.9
221.08208	7.7
223.09723	4.1
227.05658	11.5
231.06757	1.1
232.07368	0.8
251.12923	2.3
253.45631	0.7
255.10252	4.3
265.14420	1.2
269.13959	37.5
270.14371	1.7
293.14053	4.0
295.11893	1.2
311.15067	26.3
312.15396	1.4
319.11884	1.9
337.12970	15.0
339.19623	1.3
375.19901	0.9
377.17621	2.0
391.19284	1.2
395.18713	3.9
415.17801	1.2
419.18658	3.1
437.19586	2.2
507.23956	5.2
525.24994	63.4
526.25226	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	524.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01858	0.7
52.13461	0.9
57.03445	0.9
59.01375	5.1
61.98835	7.3
67.40765	0.8
69.40899	6.6
71.01376	3.7
73.02977	1.3
75.00878	3.9
80.05037	1.0
85.02953	2.0
88.98817	1.0
89.02419	1.8
95.05029	0.8
99.00900	0.8
101.02445	2.6
106.06577	1.0
108.04572	5.1
108.08184	1.1
110.06138	6.5
113.02435	1.3
116.05078	0.8
122.06139	7.6
130.06621	1.0
134.06126	7.3
136.07736	4.7
146.06110	2.9
148.07663	1.3
150.38843	0.8
152.07188	5.7
159.06873	1.4
161.04794	2.5
162.05620	1.2
173.04880	1.2
174.05550	2.0
180.06682	19.4
187.06389	1.1
188.07193	9.7
193.03812	0.8
201.10341	3.3
203.05869	1.3
210.07964	1.2
213.10284	1.1
215.11914	2.3
223.08830	1.5
224.09465	2.6
225.10258	1.8
227.08337	0.9
233.12843	1.0
236.09546	1.4
237.10320	4.8
238.07487	1.2
238.11017	2.0
239.08197	0.9
239.11894	12.2
240.12477	1.2
241.09868	1.0
241.13541	3.2
249.10483	1.3
250.07489	1.9
251.08350	4.0
251.11913	2.7
252.08943	1.4
253.09758	1.8
263.08679	1.2
263.11893	3.0
264.08862	3.8
265.09842	14.2
266.10522	3.1
267.11423	6.1
278.07312	0.9
279.07739	5.7
279.11386	8.5
280.09149	1.1
280.12051	5.6
281.09564	0.9
281.12933	1.8
283.10931	2.4
289.09924	2.3
290.10510	2.4
291.11398	3.4
292.08585	3.8
293.09351	16.1
294.09863	2.0
296.11472	1.1
298.09534	1.1
307.07440	1.7
307.10861	20.6
308.11658	37.7
309.12140	2.6
311.10352	3.5
312.10974	2.4
340.10666	17.4
351.09695	1.7
352.10550	2.1
376.16547	1.8
388.16724	2.4
402.18277	2.3
406.17993	1.7
418.17874	5.7
430.17755	37.8
431.18024	3.4
448.18793	56.8
449.19244	5.2
462.16641	1.9
474.16751	7.2
475.16904	1.0
492.17822	100.0
493.18250	7.1
506.19559	1.9
523.34656	3.3
524.20422	30.9
524.35254	3.3
525.20654	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	524.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.6
59.01368	2.8
60.99445	1.4
71.01377	5.1
71.05034	4.9
71.53967	2.4
81.03458	3.0
83.01392	2.9
85.02951	4.5
88.04053	28.6
95.01390	2.8
96.95995	2.0
97.02939	2.7
106.13895	1.6
109.02977	12.3
111.04519	1.7
113.02374	1.6
123.00900	2.5
123.04592	2.1
124.01675	3.9
125.02454	61.9
137.02461	21.8
137.56511	1.3
139.04030	17.6
145.02939	2.4
146.08218	13.5
149.02467	1.5
151.03975	2.3
154.64076	1.3
164.01192	4.4
165.01965	16.0
167.03525	16.1
174.85378	1.6
175.04059	2.1
177.01945	2.9
177.05591	3.3
179.03491	13.1
181.11488	1.6
183.68706	1.4
191.07170	1.8
204.04222	2.1
218.10349	44.1
219.06660	9.0
221.04572	4.9
261.07706	3.8
305.06686	100.0
306.07010	5.5
392.55823	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.7
61.98836	100.0
68.21727	0.3
69.59695	1.5
84.24773	0.3
85.02988	0.5
178.54674	0.3
220.62148	0.3
258.76990	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.6
61.98838	100.0
62.07564	0.4
69.49920	2.7
69.50352	0.7
71.59472	0.4
75.00891	0.8
180.06754	0.5
229.65633	0.5
239.11964	0.9
255.03056	3.0
265.10031	0.6
279.11536	0.8
283.02597	1.6
287.20819	0.5
293.09439	0.6
295.10394	0.6
307.11053	1.5
308.11755	1.4
340.10620	0.5
379.05185	0.4
430.17874	1.6
446.09085	1.0
448.18811	2.4
461.10913	5.8
462.11444	0.9
483.04916	0.4
492.17841	4.5
523.35370	0.7
524.20538	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.9
57.03459	0.9
59.01387	8.2
61.98838	100.0
69.03490	0.6
70.14365	0.4
71.01395	7.6
71.55586	0.7
72.99325	0.9
73.02962	2.1
75.00878	8.0
82.08086	0.5
83.01392	1.1
85.02958	6.7
87.00895	1.7
89.02452	3.0
95.01398	0.7
96.96042	1.2
99.00872	2.6
101.02456	4.2
113.02459	3.5
123.04559	0.6
125.02478	0.7
127.76509	0.6
131.03505	0.7
139.11302	0.8
149.04567	1.2
161.04588	1.9
163.04047	0.6
165.05573	0.5
185.09698	0.5
185.91748	0.6
191.02022	1.3
191.05522	0.6
201.11353	0.8
209.11943	0.6
249.06317	0.9
267.07462	0.6
300.05917	0.6
302.06305	0.6
331.17828	0.8
332.17853	0.8
343.21271	0.7
393.10718	1.1
443.13745	0.7
448.19006	0.8
463.21841	3.8
464.22217	6.9
465.23239	2.5
480.25458	1.0
492.17593	0.9
523.23779	0.7
523.35968	3.6
524.23920	1.6
524.35779	1.5
525.15247	1.1
525.22583	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	523.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88661	0.3
55.01886	3.6
57.03454	4.4
58.00591	0.4
59.01388	13.0
61.98840	0.5
69.03477	0.6
70.35887	1.0
71.01389	19.2
72.99320	1.4
73.02555	0.6
73.02955	8.8
75.00873	2.0
83.01398	5.0
85.02962	13.7
86.00115	0.6
86.03310	0.5
87.00893	1.9
87.04517	0.9
89.02449	1.3
95.01397	2.4
97.02955	0.7
98.19917	0.3
99.00895	3.6
101.02458	18.1
102.02840	0.3
109.06557	0.3
111.00891	4.0
113.02471	6.7
119.03480	0.5
123.08127	0.3
125.02501	0.5
129.01955	1.2
141.01926	0.5
141.12904	0.7
143.03479	0.4
143.10855	0.3
153.09285	0.7
159.03018	2.1
161.04575	2.6
171.13907	1.6
187.13367	1.0
191.01999	0.9
200.14122	0.4
201.14958	1.4
217.14523	0.4
257.02463	0.4
315.25467	0.9
359.28036	1.5
361.29617	16.5
362.29932	1.2
374.34286	0.4
504.40305	0.3
521.33301	0.6
523.34930	100.0
524.35272	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	523.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.3
61.98834	0.5
62.67233	0.4
65.82202	0.5
66.61928	0.4
69.36641	0.5
69.80231	0.9
69.80654	1.5
72.98306	0.4
76.28053	0.4
79.36028	0.4
91.42687	0.4
107.05102	0.4
117.03477	1.2
119.05006	0.4
121.02970	1.1
132.02161	0.5
133.02971	20.1
134.03773	8.6
135.04541	42.6
136.04866	1.0
137.02467	6.3
139.04019	2.7
150.03200	0.7
157.57559	0.4
161.02457	78.8
162.02774	2.8
178.02740	2.1
179.03516	19.2
180.03883	0.6
194.63208	0.4
235.06212	0.6
235.11758	0.5
261.73776	0.5
266.08456	0.4
269.21252	0.7
287.22314	5.2
299.01437	0.5
305.03357	0.4
309.95190	0.4
363.25311	1.1
431.24393	34.6
432.24881	2.8
449.25467	16.2
450.25702	1.6
523.29156	100.0
524.15820	0.5
524.29486	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.4
57.03447	2.2
59.01145	1.7
59.01392	13.9
61.98825	1.8
69.34718	9.4
71.01392	35.5
73.02965	14.2
75.00878	5.2
83.01382	3.4
85.02962	17.4
87.00869	2.2
89.02454	8.7
95.01394	3.9
98.20675	2.5
99.00899	5.8
101.02460	21.0
108.02180	4.7
109.02961	2.0
113.02474	13.1
125.02431	4.3
130.14923	1.3
149.02429	1.8
152.01155	3.9
153.01955	1.5
159.02991	2.2
161.04544	13.1
209.11827	1.6
264.90244	1.5
331.17621	15.4
332.18079	2.0
463.21872	100.0
464.22339	11.5
519.76111	1.5
523.14948	6.9
523.34814	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	523.2194
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.58526	0.6
59.01394	3.1
69.83867	2.1
69.84275	1.1
71.01379	3.6
73.02934	0.6
75.00886	0.8
85.02950	3.9
89.02460	0.8
93.03466	2.2
95.01435	0.7
99.00871	0.8
109.02975	4.7
113.02496	1.0
119.05038	1.5
121.02975	12.5
122.03770	10.8
123.04558	1.7
124.01662	0.9
129.03497	0.8
135.04555	1.3
136.05290	0.6
137.02466	2.7
145.02988	1.6
147.04550	6.4
148.05229	1.0
149.06020	0.8
154.02739	1.3
159.04546	0.7
161.06079	1.8
163.03993	0.8
164.04837	1.1
165.05595	22.6
166.05913	1.3
176.08051	0.7
178.06371	0.6
179.07137	8.2
185.86937	0.6
191.02000	1.3
223.09737	1.2
227.07210	0.7
249.06216	0.8
274.67297	0.6
279.50278	0.8
307.22101	0.6
315.12332	2.6
316.13089	1.0
329.14197	1.2
330.14255	1.0
331.14813	2.2
346.14224	8.2
361.16599	100.0
362.16971	7.1
403.16257	0.6
463.21878	1.0
523.21472	0.9
524.17761	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2191
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01902	3.0
57.03465	1.7
58.00619	0.7
59.01387	27.2
59.80312	0.6
61.98836	3.4
69.25044	5.2
71.01391	21.6
71.98520	0.5
72.99342	1.8
73.02962	4.7
75.00884	4.8
78.95950	1.1
83.01385	3.7
85.02969	10.4
87.00907	2.4
89.02456	9.2
93.03472	1.3
95.01413	2.9
96.96027	19.1
96.97005	1.7
97.03003	0.9
99.00909	2.5
101.02457	12.9
109.02959	4.9
110.13557	0.6
111.00877	1.0
111.04543	1.1
113.02473	6.9
119.03505	3.7
119.05058	0.8
121.02967	12.1
121.03770	0.9
122.03758	14.4
123.04545	2.0
124.01712	1.8
125.02486	0.8
129.01962	1.0
129.03499	1.2
134.03795	0.8
135.04561	1.7
136.05345	1.6
137.02458	1.9
145.02888	0.6
146.03772	0.8
147.04553	7.8
149.04611	0.9
149.06061	1.0
154.02762	1.1
161.04620	1.2
161.06134	2.1
162.06854	0.7
165.05591	23.8
173.06107	0.9
175.07635	1.2
176.08466	0.8
179.05713	1.0
179.07152	6.0
191.07108	1.5
209.08275	1.4
223.09836	1.0
298.12253	1.6
313.14468	3.0
315.12415	2.5
316.12943	1.1
320.28748	0.6
328.13275	2.2
329.13919	1.1
343.15598	5.7
346.14236	8.3
347.15015	2.6
361.16602	90.3
362.16901	7.5
463.21552	0.7
523.21875	100.0
523.34845	4.3
524.22174	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05989	0.7
57.03434	1.2
59.01382	15.5
61.98825	2.2
70.33492	2.2
70.33838	0.8
71.01382	10.2
72.99323	1.5
73.02958	1.3
75.00862	1.1
78.00671	0.8
83.01370	1.2
85.02951	8.4
87.00830	1.2
89.02452	6.8
95.05010	1.3
96.95998	3.6
99.00884	1.4
101.02439	3.6
113.02457	3.1
116.05038	1.4
119.03502	1.8
120.04554	1.1
121.05341	1.3
122.06132	16.7
129.01907	1.1
131.03772	0.8
132.04526	0.9
134.03723	1.0
137.02473	1.9
142.57770	0.8
144.04617	4.7
145.05344	9.7
146.06160	5.6
147.03044	0.9
148.04033	2.3
149.02466	1.2
151.04022	1.7
159.03253	2.3
159.04488	1.5
160.01993	1.2
160.04045	28.0
161.04829	11.8
162.05573	2.1
163.03961	1.1
164.03448	0.8
175.03944	2.0
176.03554	5.2
177.01996	1.7
177.04330	5.3
188.03517	3.0
189.04326	44.4
190.05098	4.0
191.01979	2.4
193.03702	3.9
193.05222	1.7
195.19244	0.8
203.05861	4.3
220.06140	0.8
221.03346	9.4
221.06894	9.0
224.10753	1.0
239.11809	1.0
243.11417	8.4
253.05858	2.7
267.11401	40.6
268.07501	1.4
268.11691	2.8
283.10211	2.8
311.10397	74.6
312.10712	3.7
325.11874	7.8
331.11890	3.2
343.12991	100.0
344.13287	6.5
397.31711	0.9
469.31589	0.9
491.17166	9.0
505.18033	1.4
523.19489	5.0
523.27710	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	523.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41565	0.8
57.03449	1.2
59.01385	15.1
61.85854	0.9
61.98851	1.3
68.10301	0.8
68.77790	0.8
71.01389	10.7
71.54620	1.1
72.99318	1.6
73.02979	1.3
75.00874	2.5
83.01388	1.9
85.02970	10.3
89.02457	6.8
95.05022	1.6
96.96014	4.2
99.00874	1.0
101.02439	5.1
108.77988	0.9
113.02440	4.3
119.03550	2.7
122.06132	13.3
125.02433	1.1
129.01944	1.2
131.03755	1.1
132.04552	1.0
133.06705	0.9
134.03790	1.6
137.02495	2.0
143.13512	1.0
144.04562	4.4
145.05331	9.1
146.06158	5.3
147.03008	1.8
148.04039	1.4
153.01973	1.0
159.03253	1.3
160.02777	1.8
160.04059	30.8
160.05388	1.7
161.04845	10.2
161.06122	1.2
162.05579	1.5
163.03989	1.2
175.02591	1.2
175.03960	1.4
176.03540	6.6
177.04369	5.4
188.03563	3.1
189.04326	42.8
190.05022	3.8
191.02031	2.6
192.02968	1.2
193.03740	5.6
193.05260	1.1
203.05923	2.1
209.02994	1.5
221.03363	9.2
221.06900	7.6
221.59151	0.9
243.11366	5.2
253.05954	2.4
267.07156	1.6
267.11417	38.3
268.11752	2.2
283.09985	2.6
293.09464	1.1
311.10400	73.4
312.10773	4.6
325.11884	6.1
331.11673	1.7
343.12997	100.0
344.13177	5.1
361.09848	1.3
491.17105	9.0
505.17953	1.3
523.19464	5.1
523.27527	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.6
59.01388	8.3
61.98838	2.9
69.03483	0.4
69.55941	0.4
71.01392	6.6
71.54059	0.6
72.95885	0.3
72.99318	1.3
73.02950	1.5
75.00887	2.2
78.95903	3.7
79.95741	2.8
83.01399	1.0
85.02962	4.7
87.00885	0.7
88.98817	1.7
89.02464	3.2
93.03455	0.5
95.01414	1.2
96.96024	100.0
96.96925	7.4
99.00911	0.6
101.02451	4.3
108.02161	0.8
109.02982	1.7
113.02456	2.6
119.03551	1.0
119.05029	0.5
121.02987	3.6
122.03767	2.8
123.04578	0.7
124.01752	0.4
125.02479	0.6
130.14403	0.4
134.03764	0.4
135.04523	1.0
137.02443	0.9
147.04518	2.4
154.02740	0.5
159.03151	0.4
161.04547	0.4
161.06075	1.0
165.05580	8.4
167.03508	0.4
175.07748	0.5
179.07085	2.4
185.74875	0.4
191.01990	0.7
191.07196	0.6
209.08170	0.4
209.11813	0.7
223.06261	0.4
234.04906	0.4
313.14462	0.5
315.12323	0.6
328.13272	0.7
343.15454	1.6
343.21021	0.4
346.14246	2.6
347.14691	0.9
361.16608	28.4
362.16812	2.0
474.16446	0.5
523.21869	33.3
523.34570	0.8
524.22058	3.2
524.29022	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1251
Annotation	Mayoside B
Peak:m/z	Relative Intensity
50.98827	0.5
57.03445	0.7
59.01390	5.7
61.89834	0.4
61.98833	1.1
63.02409	2.2
65.00334	6.9
69.44078	2.5
71.01378	1.9
79.27470	0.5
83.01398	4.0
85.02950	1.5
88.98843	0.5
89.02433	0.7
89.38223	0.5
95.01402	0.9
98.19862	0.5
101.02434	0.8
103.96677	0.5
105.69411	0.5
107.01408	8.2
107.05049	0.4
113.02457	0.7
123.00854	0.8
123.04529	0.6
124.01695	2.6
125.02470	5.4
137.02437	0.9
147.04529	0.6
148.01685	0.6
149.02444	1.0
150.03221	0.5
151.00386	25.2
152.01138	2.4
159.04523	0.7
161.02464	1.2
161.04553	0.5
162.03229	0.7
163.99489	0.5
165.01950	1.1
169.01398	1.7
174.03255	0.7
175.04013	0.7
176.01172	1.2
177.01938	3.5
179.03484	0.6
189.01923	1.2
190.02695	2.0
193.01413	1.1
197.06055	0.5
199.04042	1.0
201.01990	0.9
202.02696	0.6
203.03522	1.6
204.04192	0.9
209.06194	0.7
211.03993	1.4
212.05011	0.6
215.03499	4.6
218.02138	1.4
219.04727	0.7
219.06664	1.6
225.05582	0.8
226.02686	0.5
227.03525	3.0
228.04312	0.6
229.04987	0.6
230.02226	6.0
231.02876	1.4
233.04578	1.0
237.05595	1.3
238.06363	0.6
239.03592	0.5
240.04326	0.9
241.05060	1.6
242.02293	0.7
243.02971	2.9
244.03619	0.7
245.04474	2.6
247.03967	0.9
253.05061	0.8
254.05748	0.8
255.02966	1.9
256.03766	1.1
257.04660	1.5
259.02524	4.2
265.05014	3.5
266.05759	0.6
269.04541	2.1
270.01538	0.7
271.02722	1.1
271.06085	0.7
272.03241	1.5
279.06833	0.6
280.07471	2.0
281.04550	1.3
282.05383	0.6
285.04068	0.8
287.05569	1.5
293.04492	0.7
295.06448	0.5
295.09698	2.1
296.07098	0.5
297.04501	0.5
297.07745	1.2
300.02731	0.5
311.05536	0.6
311.09164	0.9
312.09940	1.1
319.06363	0.6
321.07687	0.5
347.05527	0.6
361.07306	1.6
363.05020	1.1
371.05939	0.6
377.06744	0.8
379.07861	0.5
389.06833	3.3
393.09729	1.1
399.05157	0.8
403.08279	1.4
404.09042	1.0
416.05890	0.6
417.06046	2.2
419.11627	1.0
421.09448	0.7
429.09763	0.7
431.07840	0.6
432.08606	1.0
433.08920	0.6
446.09976	0.7
447.10837	3.7
449.08456	0.7
461.12469	1.1
479.13477	4.1
508.10165	0.6
522.33759	1.9
523.12494	100.0
523.34088	1.5
524.12860	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	522.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	16.5
61.98837	100.0
69.65052	1.5
69.65436	1.2
71.01387	6.1
73.02955	6.9
74.83609	0.5
75.00909	0.8
83.01395	1.8
85.02969	2.2
89.02477	1.8
93.03480	1.5
101.02451	5.6
102.02754	0.6
105.62669	0.5
113.02434	2.7
137.02461	1.3
143.03534	0.9
149.04596	1.2
161.04578	2.2
173.93748	0.6
521.33057	1.0
522.34137	3.5
523.34753	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40029	0.5
53.84826	0.5
55.01862	0.8
57.03466	1.0
59.01080	0.6
59.01387	28.7
61.98838	100.0
68.16063	0.5
71.01387	6.6
71.55211	0.8
72.11593	0.6
72.99309	1.5
73.02945	3.5
75.00887	2.1
83.01414	1.6
85.02971	5.9
87.00899	0.9
89.02472	2.4
95.01392	1.0
97.33991	0.6
97.92902	0.6
99.00880	1.3
101.02441	6.0
113.02462	3.2
115.82946	0.5
119.03549	1.0
125.02483	0.7
129.86670	0.6
149.04594	0.7
161.04620	2.0
169.59717	0.6
191.02032	1.0
334.47983	0.5
350.09323	0.6
360.20850	0.6
361.22443	1.0
361.29770	1.3
391.27179	1.0
415.23401	0.7
443.90042	0.5
521.33411	1.3
522.26276	1.0
522.34503	2.5
523.35406	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.9
61.71402	0.6
61.98813	0.7
71.01383	1.3
71.53922	0.7
85.02959	2.5
88.98819	0.9
89.02457	0.8
96.96017	1.7
97.63326	0.6
101.02457	0.7
108.99522	0.5
117.03492	0.9
119.05042	64.6
120.05376	1.9
125.02483	1.4
145.02979	6.6
148.97327	0.6
163.04025	100.0
164.04349	2.8
173.04146	0.6
191.01955	1.0
217.27586	0.6
255.71719	0.6
268.07455	0.9
283.09946	1.0
325.09299	40.1
326.09601	1.6
331.12009	1.3
523.11920	4.6
528.61792	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59359	0.5
57.03448	1.6
59.01379	1.4
63.02404	2.2
65.00322	4.2
67.77299	0.7
70.10028	0.7
70.10385	2.3
71.01415	0.9
83.01384	6.0
95.01381	1.0
98.19983	1.0
107.01410	5.8
109.19816	0.6
121.02908	0.9
124.01664	3.2
125.02465	13.4
133.02974	1.3
137.02402	1.3
145.02991	0.8
149.02478	1.1
151.00377	15.0
151.22766	0.6
152.01122	2.0
161.02472	1.5
165.02002	1.1
171.04535	0.8
173.02490	0.8
173.05962	1.1
174.03157	0.8
177.01949	4.6
183.04456	1.2
184.05287	0.7
185.02423	1.9
189.01947	1.5
190.02812	0.7
193.01314	0.6
199.03995	2.7
199.05640	0.6
200.04892	0.6
201.01949	2.0
203.03511	3.9
205.01433	1.3
209.06020	1.6
211.04027	2.3
214.06419	1.3
215.03479	0.7
216.04333	1.0
217.01427	5.2
221.06068	0.9
223.03986	0.7
224.04637	0.9
227.03505	1.9
231.06450	0.7
237.05603	1.5
239.03545	2.3
240.04300	2.4
241.05025	2.9
243.02951	1.2
245.04344	0.7
246.09021	1.9
249.05585	2.6
251.03671	1.0
251.07092	1.0
253.05070	1.0
255.03130	0.7
257.04623	0.8
261.11356	1.3
263.03500	0.8
265.05063	6.8
267.02936	1.3
281.04706	1.3
284.03079	0.8
285.04144	2.3
289.08905	0.9
291.06421	1.1
293.04657	0.8
295.09784	0.9
307.06067	1.7
309.04166	1.1
311.01959	1.4
313.07205	0.8
317.08173	0.8
322.08435	1.1
331.06097	1.1
333.07758	1.3
337.03537	0.8
339.08749	0.8
343.06030	0.7
345.07678	1.6
349.07315	3.4
351.05112	1.1
361.07263	2.1
362.07718	0.9
363.08615	0.7
365.06827	1.0
371.05527	1.1
372.06247	1.4
373.07233	2.5
375.05002	1.1
379.11789	1.0
381.09747	0.8
389.06604	3.4
390.07556	0.9
395.07541	0.8
399.04968	1.1
400.06027	1.1
401.06735	3.0
402.03629	0.7
403.08060	1.5
405.09787	1.2
417.06174	8.5
418.06717	1.4
419.11615	1.2
423.11127	0.8
431.07813	2.0
432.08844	3.3
433.09781	0.8
447.11136	9.8
448.12082	0.8
449.09073	1.1
459.07654	0.8
461.04752	1.2
463.10385	1.9
476.07681	1.2
479.13492	4.2
491.09891	39.2
492.10294	3.9
523.12488	100.0
524.12854	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	522.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99824	3.2
71.54084	1.2
83.01402	1.6
91.01897	4.7
110.00089	6.9
119.05061	8.8
123.00869	2.3
128.46239	0.7
133.06563	2.7
135.04506	1.5
137.99622	8.4
147.04541	1.1
149.02426	1.4
151.00418	4.4
154.38005	0.8
157.06583	1.5
163.00406	11.0
163.04028	9.3
167.02351	0.7
177.05611	2.5
178.06364	8.4
178.99858	2.0
179.07117	1.2
187.11328	1.0
188.04851	1.5
190.99835	2.7
191.03529	7.4
191.07138	5.1
199.07755	1.1
199.39709	0.8
200.88727	0.9
201.05530	1.1
203.07159	1.2
205.05003	4.5
206.05843	8.1
217.05046	1.1
219.03064	1.8
219.06612	13.4
220.07079	1.2
221.04485	1.3
222.04831	1.0
222.46355	0.7
225.47791	0.9
227.53328	0.8
233.04568	5.0
234.05344	37.1
235.05832	1.9
243.06609	1.3
247.06169	3.8
272.06848	1.0
285.07642	1.6
297.07703	3.2
297.10828	1.2
300.06375	1.1
312.13605	1.1
313.07169	1.8
325.07156	8.3
325.10730	2.8
340.13214	2.3
341.13745	2.0
353.10260	5.3
368.12662	100.0
369.13040	8.8
437.19736	83.0
438.20126	9.5
453.10379	9.6
453.18860	6.2
504.24600	1.1
522.25732	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.3
57.03452	4.2
58.00587	1.7
59.01392	22.8
61.89146	0.6
69.56391	4.2
71.01395	26.3
72.99316	1.7
73.02955	8.4
75.00880	1.4
83.01402	4.9
84.11444	0.7
85.02962	15.5
87.00882	3.0
89.02460	6.7
95.01389	2.2
96.96024	0.8
97.02938	1.0
99.00926	3.1
101.02460	20.2
101.60217	0.6
104.05535	0.6
109.02945	1.6
111.00879	3.1
113.02465	11.3
119.03522	2.9
121.10239	2.4
121.11125	0.5
129.01956	1.7
131.03426	0.7
141.01981	0.6
141.12874	1.8
143.03517	1.3
153.01962	1.2
153.12794	0.7
158.23416	0.6
159.02945	1.5
161.04599	4.0
171.13931	1.2
179.05754	0.9
183.13905	2.2
187.13361	1.4
191.02007	1.6
201.14992	7.9
230.15240	0.8
230.24541	0.6
249.11108	1.7
265.63361	0.7
299.26132	0.6
315.07074	0.8
333.19308	0.8
341.27026	0.8
357.26508	0.7
359.28049	17.4
360.28375	1.7
363.20248	3.9
373.26175	0.7
461.31396	0.8
463.21802	0.9
491.32645	1.2
503.32513	0.8
521.17017	2.1
521.33350	100.0
522.33679	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	522.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.3
57.03457	13.4
57.14153	0.6
59.01386	5.6
71.01389	7.7
72.99315	1.0
73.02924	0.7
75.00876	1.3
83.01393	2.4
84.02174	2.1
85.02961	100.0
86.03294	2.0
87.00891	1.8
89.02467	1.7
95.53894	0.6
98.20661	2.1
99.00897	1.0
101.02428	0.8
103.00396	0.9
109.02942	1.1
111.00893	2.4
112.04066	2.7
117.03472	0.9
119.05048	9.0
120.01225	0.8
121.03012	1.4
123.30158	0.6
124.04046	2.0
125.02458	1.4
129.01961	15.8
135.04646	0.7
140.07164	0.8
145.02991	1.4
147.03015	13.8
147.04308	0.7
152.03482	0.7
163.04033	13.0
165.05595	2.6
166.05096	3.4
173.00916	4.1
179.07089	0.8
184.06140	5.9
191.02000	68.3
192.02325	1.7
209.03076	2.5
227.07140	1.3
228.07484	1.5
314.08859	7.8
337.05707	3.6
346.14059	0.9
358.07727	1.4
360.09061	1.3
360.15543	0.7
361.16565	8.0
376.08749	4.7
417.26465	0.6
448.09207	0.7
522.12830	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.5
57.03450	2.9
59.01387	100.0
61.98826	3.7
69.03451	0.9
71.01390	26.8
71.01791	1.4
72.99325	1.3
73.02952	8.5
75.00884	1.5
83.01398	5.2
83.08579	0.6
85.02962	18.1
86.00138	1.3
87.00866	3.4
89.02446	5.3
94.11148	0.6
95.01415	2.8
96.96018	1.2
97.02976	1.7
99.00888	4.0
101.01805	1.2
101.02457	15.3
111.00879	1.5
112.01681	1.3
113.02467	14.2
115.04017	0.7
119.03525	1.9
125.02469	2.5
129.01970	1.1
135.23456	0.5
143.03497	3.4
149.04568	0.8
151.00426	0.9
159.03081	1.3
161.04578	5.5
179.05595	0.8
185.15552	1.3
191.02023	2.1
229.26239	0.8
239.58968	0.7
269.12451	0.7
285.07779	1.9
295.23035	0.9
313.23755	3.2
315.18228	1.0
315.25513	2.1
317.26935	6.9
331.89050	0.7
341.27036	6.0
359.28064	28.8
360.28397	2.4
373.12979	2.5
439.20581	0.8
461.24304	4.7
461.31195	53.0
462.31339	4.5
479.32269	23.2
480.32565	2.0
503.32971	1.0
521.33368	99.9
522.33698	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	521.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50635	0.5
55.01884	3.3
57.03458	3.4
58.00580	0.5
59.01386	18.0
61.98827	2.2
65.70798	0.5
69.03445	1.0
69.49982	3.5
71.01392	27.0
71.05014	0.8
72.01743	0.5
72.99294	1.3
73.02565	0.7
73.02960	11.5
73.63245	0.5
75.00880	1.7
76.11389	0.4
83.01405	6.0
85.02962	19.0
85.06623	0.5
86.00101	0.7
87.00872	2.8
89.02473	3.9
91.14719	0.5
93.07082	3.1
95.01404	2.6
96.96035	0.8
97.06628	0.6
99.00871	4.0
101.02454	26.6
111.00895	4.6
113.02471	11.3
119.03526	1.3
125.02467	0.7
129.01936	1.4
131.03503	0.6
141.01982	0.9
143.03523	1.5
143.42236	0.5
147.11815	1.5
149.04506	0.6
157.08755	0.7
157.12329	1.6
159.03012	2.5
161.04587	6.1
163.04001	0.8
171.10315	0.5
191.01984	1.9
204.68556	0.5
209.15422	0.6
229.18066	8.8
319.17737	0.5
341.27225	0.6
359.28043	9.1
360.28351	0.6
389.25500	1.7
391.23419	12.4
392.23883	1.3
461.23996	1.8
461.30881	0.9
485.31015	0.6
491.32556	2.2
503.32648	1.5
521.33392	100.0
522.33746	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	521.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76567	0.5
55.01880	2.5
57.03457	3.7
58.00599	1.4
59.01386	17.0
69.03465	0.7
70.29498	0.6
70.29816	1.2
71.01389	23.7
72.99326	2.3
73.02959	8.8
75.00858	1.0
83.01402	5.5
85.02962	16.5
86.00126	0.7
87.00890	2.2
89.02454	4.2
95.01398	3.1
97.03002	0.7
98.95605	0.6
99.00893	3.3
101.02454	22.5
101.77225	0.5
108.02207	0.7
109.02966	3.4
111.00866	3.4
113.02465	7.6
116.81919	0.5
119.03517	1.3
119.74126	0.5
121.10250	1.0
125.02464	1.0
127.11291	1.1
129.01961	1.4
137.09746	0.9
143.03481	0.7
152.01176	0.7
153.01959	7.2
153.12915	1.0
155.10834	2.3
155.42229	0.5
157.12369	0.7
159.03026	2.6
161.04579	2.3
165.12914	0.6
167.03566	0.5
171.13988	1.3
179.05661	0.6
183.13858	1.6
191.02028	1.1
192.44305	0.5
201.14987	4.0
219.26102	0.5
230.15268	2.0
232.99001	0.6
249.11116	0.8
271.19360	0.6
287.22351	0.6
315.07391	1.5
359.28061	19.7
360.28470	1.7
373.25839	0.6
463.21799	0.9
503.32358	1.3
521.33356	100.0
522.33679	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	521.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	5.3
57.03453	4.6
58.00599	3.6
59.01386	99.3
60.01714	1.3
61.98840	6.8
69.03461	1.0
71.01392	71.9
72.99310	7.6
73.02950	18.5
75.00868	1.5
78.95904	4.5
79.95694	1.3
82.60196	0.9
83.01393	10.5
84.02169	0.9
84.47835	0.9
85.02959	31.7
86.00083	0.8
87.00871	5.8
87.04509	1.5
88.32417	0.9
89.02456	38.6
93.03461	1.1
95.01395	7.2
96.96024	48.1
96.96941	6.7
97.02974	1.9
97.06623	1.0
99.00899	7.1
101.02456	48.5
102.02783	1.2
103.04028	2.6
108.02210	5.4
109.02941	2.7
111.00872	1.5
113.02465	28.4
119.03526	19.8
121.02934	4.6
121.10235	1.9
125.02457	4.5
129.01923	1.2
131.03519	3.0
143.03511	6.9
143.10791	1.3
149.04588	2.7
152.01205	8.3
153.01936	1.5
159.02979	3.1
161.04579	20.1
162.04895	1.1
163.06122	3.1
179.05612	8.8
191.01941	1.0
201.14981	3.4
233.40775	0.9
260.20547	1.1
286.04605	1.1
315.18134	19.4
316.18597	1.3
359.17343	1.6
359.28058	26.2
360.28241	2.3
405.62344	1.1
461.24033	39.8
461.31015	4.3
462.24402	4.9
477.17560	5.1
479.31964	1.1
503.32028	1.3
521.16675	5.2
521.33325	100.0
522.33728	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	521.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.6
57.03456	5.1
58.00587	3.7
59.01386	100.0
60.01714	1.2
61.98833	22.2
68.99454	1.0
69.03469	1.7
69.37173	6.7
71.01389	74.5
71.05010	1.0
72.01718	1.1
72.99316	11.4
73.02954	14.5
74.03308	1.0
75.00883	1.3
78.03638	0.9
78.51871	0.8
78.95908	1.2
83.01392	9.1
85.02960	26.0
87.00850	4.6
87.04535	0.9
89.02457	37.6
95.01419	5.3
96.96035	6.9
96.96954	1.3
97.02962	1.6
98.19968	2.1
99.00900	6.3
101.02452	50.3
103.04003	2.5
108.02188	5.0
109.02950	2.4
111.00860	1.1
113.02460	27.9
119.03517	18.7
121.03007	1.4
121.10204	2.3
125.02457	2.8
129.01900	1.1
131.03484	2.2
143.03505	6.5
149.04553	2.4
152.01181	7.4
153.01962	1.3
159.03000	3.1
161.04590	19.2
163.06131	3.3
175.02705	0.9
179.05626	7.7
181.12308	1.2
191.02022	1.8
201.14973	4.1
205.07147	1.4
315.07108	1.4
315.18109	18.6
316.18335	1.5
317.26831	1.3
341.27066	1.1
359.28040	23.6
461.24014	40.2
461.30948	3.7
462.24329	2.9
477.17862	4.2
479.32391	1.1
521.16663	5.0
521.33313	91.7
522.33624	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	521.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55308	0.9
55.01882	2.4
57.03450	3.0
58.00604	2.5
58.47826	0.9
59.01387	100.0
60.01704	1.8
61.98844	6.0
69.03457	1.9
69.28791	4.4
69.29215	3.3
71.01389	45.1
72.01711	0.8
72.96167	0.8
72.99316	4.1
73.02953	15.3
73.59755	0.8
75.00874	1.6
77.81512	0.8
80.49299	0.7
83.01384	5.5
83.05016	0.9
85.02960	17.7
86.00101	0.9
86.36853	0.8
87.00875	5.2
87.04523	2.2
89.02456	28.8
93.19638	0.8
95.01394	2.9
96.01698	0.9
96.96026	2.1
97.02975	1.4
99.00900	2.2
101.02456	40.8
102.02804	1.1
103.04012	9.0
105.23891	0.9
108.02205	3.1
109.02991	2.4
111.00941	1.1
113.02467	14.8
115.04019	2.9
118.69236	0.9
119.03515	13.5
125.02457	3.8
127.03986	0.9
131.03517	5.3
141.22284	0.9
143.03523	8.1
145.05075	3.7
147.06651	1.5
149.04613	1.2
152.01118	4.7
153.01904	1.3
153.05600	1.5
161.04575	5.6
163.06149	36.7
164.06427	1.2
179.05678	5.2
191.02077	1.1
205.07236	16.1
209.03015	1.6
224.41481	0.9
265.09265	2.1
285.07654	1.4
315.18182	2.4
317.26987	1.7
355.11893	2.5
359.28091	6.0
373.12784	1.9
461.23962	19.7
461.31143	8.0
462.24222	1.8
477.17810	2.3
479.32159	2.2
521.16150	2.0
521.33636	28.5
522.33716	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	521.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49035	0.5
68.99864	1.0
69.57473	3.4
83.01443	1.1
91.01984	0.8
93.03511	0.7
95.01462	0.8
98.20667	0.6
110.00177	1.9
111.00929	0.7
119.05116	2.0
121.02985	0.8
121.06612	5.9
123.00966	1.6
124.01729	1.0
125.02534	0.6
132.05844	6.3
132.06616	0.5
136.01756	0.6
136.98874	1.3
137.02522	1.4
137.99681	1.7
139.00444	2.3
149.02533	1.2
149.06129	1.3
150.03314	1.2
151.00479	1.7
151.07664	0.7
152.01199	0.8
153.01964	2.5
153.05656	1.5
161.09795	0.7
163.00456	1.6
163.04071	0.9
164.04797	4.7
165.01970	3.2
165.05618	2.9
165.99197	1.7
166.99892	9.0
167.01068	0.7
167.07254	0.7
175.04129	0.7
177.01997	0.8
177.05699	1.7
178.02744	1.2
179.03604	2.0
179.07210	1.1
187.11319	36.8
188.11708	1.2
189.05791	0.6
191.03523	4.8
191.07193	0.7
192.04279	0.6
193.01489	4.1
193.05083	17.4
193.06778	1.0
193.08694	0.7
194.05547	0.9
199.75772	0.5
203.03413	0.9
205.05122	1.2
206.05788	1.2
207.03183	3.2
207.06662	17.5
209.08336	1.4
213.09383	0.6
219.06792	1.5
221.01375	2.4
221.04565	31.9
221.08257	2.0
222.05013	1.2
222.08990	0.8
229.08794	1.3
234.05411	0.9
235.02563	2.2
235.06070	5.2
236.06940	2.1
237.07721	1.5
246.05257	0.9
247.06303	1.3
249.07661	3.8
250.08511	1.8
251.09274	0.6
257.11938	1.1
263.05750	1.3
264.06534	3.1
265.07211	3.1
277.07205	6.1
278.07980	2.2
320.26123	0.5
339.12430	0.8
340.12906	1.0
341.13113	1.1
354.11166	2.0
368.12585	0.6
379.11478	0.7
381.13272	1.3
381.17419	3.4
400.23438	0.6
407.18536	0.9
409.12714	4.7
409.17368	9.9
410.17108	0.8
423.18124	2.0
424.18729	1.6
425.19684	1.3
436.18423	1.0
452.18451	100.0
453.18756	9.7
503.24667	3.0
504.24966	0.6
521.25470	48.4
522.25775	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	521.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	1.1
68.99814	2.5
70.02299	3.0
71.55779	1.0
83.01372	1.4
83.89477	1.0
91.01899	1.3
91.65613	1.0
95.01381	1.2
110.00090	4.5
119.05008	3.0
121.06590	5.6
123.00877	4.1
124.01648	1.4
132.05823	7.3
136.98788	1.3
137.99611	3.4
139.00377	2.9
149.02457	1.3
151.00391	1.8
151.04015	1.3
153.01906	2.8
153.05580	2.1
161.09700	1.3
163.00375	3.2
163.03979	2.8
164.04762	4.2
165.01918	2.4
165.05521	2.9
165.99034	1.6
166.99892	7.8
175.04063	0.9
177.01898	1.1
177.05586	1.9
178.06313	2.8
178.99881	1.2
179.03554	2.4
182.37682	0.9
187.11302	34.9
188.11655	2.0
190.99911	1.2
191.03522	5.1
191.07092	1.8
193.01396	4.0
193.05095	19.6
205.05118	2.5
206.05830	1.7
207.03001	3.7
207.06635	16.3
219.06596	3.5
221.01016	2.1
221.04579	32.2
221.08145	2.7
222.04987	1.9
234.05432	6.6
235.02440	2.4
235.06142	7.0
237.07738	2.0
247.05956	1.0
249.07703	4.0
250.08430	1.4
264.06400	3.6
265.07275	2.8
277.07114	6.5
278.07855	2.5
353.10220	1.4
354.11050	1.8
355.59579	1.1
362.64789	1.3
368.12668	15.0
369.12784	1.4
370.13174	1.6
381.17007	3.6
407.18716	1.3
409.12579	4.7
409.17303	9.3
423.18213	1.2
424.18954	1.4
435.17831	1.2
437.19717	14.4
439.20340	2.6
452.18417	100.0
453.18784	7.7
503.24417	2.4
521.25446	45.9
522.25189	5.6
538.55249	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2549
Annotation	Netzahualcoyol
Peak:m/z	Relative Intensity
52.85435	1.6
58.59991	1.4
65.00333	7.0
70.55132	4.2
73.02930	1.8
78.95865	1.9
79.05547	2.9
94.04247	6.7
95.05058	1.6
96.95998	2.2
106.04321	1.8
107.05014	1.7
109.06601	46.7
110.00156	1.6
119.05073	1.5
119.25917	1.5
121.06617	4.8
123.08147	5.4
131.05032	6.2
132.05821	27.6
133.06627	14.7
137.06107	18.6
145.06668	1.9
147.04538	2.7
156.05859	1.6
158.03761	1.8
159.04527	5.2
161.06097	1.9
161.09726	6.1
163.04036	2.1
163.07730	1.7
164.04800	13.7
165.05533	4.6
169.08719	3.2
173.06111	2.4
174.03195	2.3
175.04028	1.7
175.07672	2.5
177.05591	2.7
178.06410	2.2
181.04996	1.8
185.06078	1.8
187.04037	3.4
187.09612	2.6
187.11282	43.4
188.04849	1.5
188.11624	1.8
189.05618	2.5
197.08209	8.3
199.03925	1.6
202.06415	3.5
203.07175	2.2
204.04326	1.8
204.07831	1.8
205.05045	4.5
210.03355	1.3
211.04187	1.4
211.11307	7.1
213.09239	19.5
213.12906	2.3
214.06294	2.7
219.85587	1.6
221.04533	2.6
223.06155	1.8
223.11372	3.5
224.12025	2.2
227.07043	1.6
227.10786	2.4
227.14577	1.4
229.12375	2.9
231.10272	40.4
231.13843	2.6
234.08981	1.6
241.08388	2.1
242.09526	1.7
247.13420	16.9
249.03992	5.3
251.10786	2.0
253.72565	1.7
255.10349	2.1
255.17599	2.2
256.10941	2.3
257.11865	11.4
275.13077	2.8
279.10367	2.9
279.17548	35.1
280.17871	3.3
280.68271	1.6
281.11926	8.6
284.07233	1.6
289.14487	74.0
290.14792	3.9
301.14526	3.2
307.09851	6.8
307.16898	7.3
333.14935	1.7
335.16479	5.0
339.12274	10.2
348.16995	2.3
349.18002	8.8
361.14685	2.1
367.19159	7.0
376.16791	6.2
389.24521	2.1
393.17303	2.2
401.24756	3.3
407.18295	1.7
408.19455	20.0
417.24359	2.5
420.15814	2.3
427.22739	1.8
445.23901	22.8
446.24442	2.2
452.18369	1.7
461.23181	13.7
463.27881	1.3
465.26495	4.0
477.26721	8.0
489.22882	24.3
490.23181	2.4
521.25494	100.0
522.25775	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	521.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.1
57.03452	2.6
57.83406	1.2
58.00588	2.6
59.01386	100.0
61.98832	4.9
69.03454	3.9
70.51871	1.2
70.52215	3.4
71.01389	82.1
72.99309	5.7
73.02956	11.7
75.00900	1.9
81.03465	3.4
83.01392	7.2
85.02961	17.6
87.00899	4.2
89.02454	88.4
95.01395	2.5
96.96030	2.9
97.02966	6.6
99.00886	4.3
99.04507	2.0
101.02452	30.4
103.04040	1.4
108.02161	2.3
111.00877	1.4
113.02473	16.8
119.01170	1.0
119.03507	5.8
125.02455	26.7
131.03516	26.5
135.63353	1.1
139.04007	1.2
143.03526	3.9
149.04564	36.0
152.01158	4.3
159.02954	1.3
161.04593	2.7
163.06140	7.6
167.10796	91.5
168.11096	1.7
179.05571	1.3
191.01949	1.6
191.05627	12.5
205.07196	2.9
233.06714	5.7
293.08820	54.6
294.09137	2.2
359.28143	4.4
461.24545	2.5
461.31210	4.9
477.17307	1.8
479.32065	2.3
521.16663	1.4
521.26410	1.6
521.33453	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	521.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01039	1.1
57.24363	1.2
59.01387	29.9
61.98541	1.2
61.98838	5.5
71.01388	15.2
71.01759	1.9
71.02104	2.5
73.02950	4.4
73.17228	1.3
78.95908	8.7
79.33753	1.3
79.95765	3.1
83.01420	2.9
84.48367	1.2
85.02967	5.0
89.02466	18.7
96.96028	100.0
96.96938	10.9
97.02969	1.4
99.00905	4.1
101.02459	8.1
101.75638	1.2
108.02164	1.2
113.02467	4.1
120.02939	1.6
124.83617	1.1
125.02462	7.9
131.03493	3.3
149.04585	9.2
161.04655	1.7
167.10803	3.4
175.11334	1.4
191.05722	2.7
233.06677	3.2
234.76701	1.4
293.08850	8.4
461.24649	1.6
461.31033	5.6
479.31961	1.6
521.33124	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	521.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28226	1.0
55.01881	2.1
57.03453	2.6
58.00592	4.2
59.01388	100.0
71.01393	69.1
71.53989	1.6
72.99310	4.8
73.02943	2.7
75.00862	2.4
83.01387	3.4
85.02958	16.8
87.00882	5.0
88.98804	2.7
89.02458	88.8
89.19953	0.9
93.03455	1.2
95.01404	4.7
96.96036	2.0
101.02459	38.1
106.01794	0.9
108.02177	2.3
109.02988	2.8
113.02464	26.5
119.03526	37.6
119.04916	2.0
121.02979	2.4
121.44780	0.9
123.04541	1.9
124.97017	0.9
125.02414	3.2
129.01938	2.7
131.03513	4.2
135.04488	0.9
143.03499	7.5
144.24173	1.1
149.04510	2.6
152.01134	1.5
158.03775	1.3
159.04498	3.9
160.05321	5.5
161.04630	5.3
161.05873	1.3
163.03999	2.7
171.04510	1.0
172.05310	3.4
173.06137	3.0
175.07631	2.9
179.05643	16.1
181.08557	1.1
183.08049	1.2
185.06125	2.4
187.07674	1.2
189.05568	8.5
190.06415	8.1
191.01973	2.8
201.79807	1.0
204.07874	1.2
205.08681	6.0
227.03658	1.3
227.07176	28.4
281.08353	2.2
284.03128	1.6
295.09674	1.6
296.10504	3.9
299.05560	3.7
311.05597	1.6
311.12872	4.3
329.13904	3.1
341.13992	30.8
342.14279	1.5
359.20865	1.7
373.18646	1.2
382.07773	1.1
521.20929	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	521.2034
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
59.01388	2.6
69.57285	1.5
70.70287	0.3
71.01399	2.3
73.02949	0.7
74.70741	0.3
85.02948	1.4
89.02457	0.8
95.01359	0.3
97.02951	0.3
98.19916	0.6
101.02450	1.2
108.02191	1.1
109.02962	12.6
110.03316	0.5
113.02459	1.4
123.04523	0.9
124.01637	0.4
125.02491	0.6
134.03758	0.6
135.04468	0.6
137.02519	0.4
158.03748	0.5
159.04543	7.0
161.04587	0.9
161.06009	0.5
165.01904	0.4
165.05656	0.4
171.04512	0.4
173.06088	4.5
187.07578	0.3
189.05608	4.1
190.06252	0.6
191.01894	0.4
191.03490	0.5
191.07196	2.7
193.05095	0.7
201.05617	0.5
203.07169	2.5
205.08656	0.4
209.03194	0.4
213.05579	1.0
220.65999	0.4
224.04747	0.4
225.05582	0.8
235.07788	0.3
237.05574	0.5
240.04391	2.0
241.05096	11.0
242.05472	0.4
251.07166	0.6
255.06638	6.8
256.07266	1.1
265.08664	1.1
267.06656	1.1
269.08224	2.2
271.09741	0.7
281.08331	1.0
283.10074	0.4
295.09833	1.0
298.08499	0.8
299.05771	0.4
299.09201	7.7
300.09601	0.4
312.10022	0.5
313.10858	10.2
314.11292	0.8
327.12369	1.1
328.09454	0.6
329.10388	4.2
332.90494	0.3
343.11932	2.6
344.12656	31.2
345.12949	2.2
359.15024	100.0
360.15366	7.0
389.18027	0.9
521.19696	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	521.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02108	0.4
55.82767	0.4
57.03444	0.5
59.01379	1.2
60.99311	1.3
63.72205	0.4
69.61728	2.6
71.01386	2.6
73.02964	0.7
75.03906	0.4
78.90031	0.4
85.02958	3.6
88.98817	6.3
97.87296	0.4
98.19863	0.8
101.02442	1.1
113.02441	1.2
119.05032	0.6
121.02969	3.8
122.03772	1.5
123.00850	0.8
123.04508	0.4
124.01685	0.7
135.04382	0.4
136.05286	1.3
137.02452	1.0
137.06096	0.7
143.05028	0.9
147.04559	2.3
149.02452	2.0
150.03256	5.1
158.03737	2.4
159.04520	9.4
160.05310	28.9
161.04604	0.8
161.06081	7.6
162.06458	0.5
163.04021	4.9
164.04832	3.9
168.04341	0.4
173.06075	4.2
174.06804	0.8
175.07660	25.0
176.04813	0.8
176.07959	1.0
177.05568	7.0
178.06367	8.6
179.06784	0.6
191.01962	1.1
192.07893	2.2
193.08704	2.6
205.05235	0.4
280.24048	0.4
283.06219	1.3
311.05673	2.5
314.11548	0.7
329.13965	100.0
330.14267	7.6
359.15100	3.1
359.19086	0.6
431.09787	3.1
475.03796	0.4
521.22205	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2033
Annotation	(2S,3R)-Dihydrodehydrodiconiferyl alcohol beta-D-glucoside
Peak:m/z	Relative Intensity
55.01881	0.7
57.03427	0.7
58.00606	0.6
59.01384	5.8
65.81884	0.5
69.60384	3.5
71.01388	8.5
71.01767	0.5
73.02949	2.0
83.01389	1.3
85.02968	3.8
87.00911	0.7
89.02450	5.8
95.01374	0.7
97.02949	1.1
98.20588	1.2
99.00887	2.4
101.02442	3.9
109.02959	2.1
113.02465	2.5
115.89748	0.5
121.02966	4.1
122.03761	1.9
123.00914	1.0
123.04536	0.9
125.02445	3.4
125.61230	0.5
131.03517	1.4
136.05284	0.9
137.02411	1.3
143.05029	1.8
147.04517	2.9
149.02440	1.0
149.04597	1.7
150.03236	5.6
151.03931	1.1
158.03732	2.7
159.04541	10.6
160.05313	28.4
161.04619	1.3
161.06068	7.8
162.03185	0.7
163.04010	5.5
164.04820	5.2
167.77969	0.6
172.02553	0.5
173.06117	4.8
174.06833	0.7
175.07660	26.7
176.04832	0.5
176.07974	1.2
177.05568	7.9
178.06358	7.3
179.06818	0.5
181.21944	0.5
182.07336	0.7
183.08194	1.0
185.06087	2.1
189.05437	0.9
191.05641	0.6
192.07997	1.6
193.08691	2.6
194.81744	0.6
225.85568	0.6
227.07153	17.5
228.07468	1.1
233.06609	2.0
240.04352	0.6
241.05019	1.3
269.13116	0.7
293.08740	1.6
295.10693	1.1
296.10754	0.7
299.09195	0.6
313.11285	0.9
314.11804	0.6
315.12415	0.7
329.13959	100.0
330.14301	8.8
344.12582	3.1
346.96530	0.5
359.15005	11.4
360.15433	0.8
512.97565	0.6
521.20685	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	521.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.8
55.56707	1.7
57.03446	4.9
58.00597	3.7
59.01385	100.0
60.99311	1.3
61.98838	5.9
69.03468	6.2
69.27065	12.7
71.01388	93.7
72.99325	8.4
73.02946	14.9
75.00863	5.0
81.03471	3.0
83.01392	9.1
83.05066	1.9
85.02962	24.1
87.00896	3.2
89.02457	81.8
93.02877	3.3
93.03468	61.2
94.03796	1.6
95.01406	8.1
96.96014	4.0
97.02965	10.2
99.00896	17.8
99.04552	1.8
101.02453	35.4
103.95983	1.4
107.05037	4.8
107.37894	1.4
108.02181	43.1
109.02970	26.0
111.00898	5.1
113.02466	20.2
115.04011	6.3
119.03524	7.6
121.02963	36.2
123.00904	2.0
123.04527	1.4
125.02463	37.6
131.02704	1.5
131.03481	8.3
135.00795	1.3
135.04591	1.8
136.01683	2.6
137.02463	61.4
138.81401	1.4
143.03500	4.1
145.03070	1.8
149.04572	10.5
151.04025	3.6
152.01157	36.8
153.01941	14.8
153.05550	2.5
157.12387	1.5
159.03018	2.1
161.04562	6.9
161.09865	1.7
165.91924	1.4
171.13882	3.0
173.04482	1.9
179.03593	3.4
179.05647	2.5
179.10899	1.4
191.05617	7.8
197.06117	6.5
199.07646	1.5
201.14969	5.2
227.07162	35.1
233.06674	32.3
240.44398	1.5
281.06662	3.1
293.08823	25.8
315.07266	10.0
359.27994	14.5
386.96002	1.5
413.10892	12.7
461.24371	2.6
461.31296	4.6
462.30713	1.7
477.17789	23.9
478.18008	2.0
520.31750	2.0
521.16644	32.0
521.33350	70.7
522.16498	3.3
522.33569	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	521.1671
Annotation	Lysidiside L
Peak:m/z	Relative Intensity
53.88247	0.4
54.74028	0.5
57.03485	0.7
58.00618	0.8
59.01387	18.6
60.99093	0.6
61.71509	0.5
69.03465	1.3
71.01390	16.8
71.54298	0.6
72.01730	0.8
72.99318	0.9
73.02947	2.6
75.00895	1.4
81.03479	0.9
83.01415	1.1
83.81593	0.5
85.02951	3.2
87.00900	0.8
88.98789	0.6
89.02459	25.1
93.03448	0.5
96.96031	4.8
97.02978	2.6
99.00899	4.6
101.02468	4.5
111.00928	0.8
113.02481	2.7
115.04015	2.4
119.03552	0.8
119.05020	1.4
121.03020	0.6
125.02466	14.4
125.03334	0.8
126.02851	0.6
131.03520	4.3
134.03717	0.5
137.02408	0.5
141.07146	1.1
143.03528	1.1
143.05054	11.3
144.05377	0.5
145.02950	0.6
149.04572	5.5
153.79402	0.4
157.06612	2.2
159.08197	3.3
161.04518	0.9
177.02017	0.7
178.80330	0.5
181.06586	1.0
182.07379	1.4
183.08209	4.1
183.42415	0.5
185.06102	18.9
186.06422	1.2
191.05679	3.2
193.20094	0.5
227.07166	100.0
228.07509	5.7
233.06711	15.7
293.08817	22.9
293.12097	1.0
294.09216	1.2
503.19012	0.5
521.16589	17.8
522.17035	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.4
56.61531	1.1
57.03450	3.1
57.15047	1.2
58.00606	2.7
59.01389	100.0
60.01708	2.5
61.98839	7.2
65.03974	1.5
69.03468	7.2
70.27637	1.1
71.01392	85.3
72.99309	6.6
73.02961	17.4
75.00868	3.3
81.03484	4.4
83.01393	7.1
85.02963	25.2
87.00879	3.8
89.02460	77.4
93.03475	54.3
95.01403	8.6
96.96015	3.9
97.02963	8.5
99.00906	14.0
99.04530	1.7
101.02466	36.8
102.02734	1.5
107.05056	4.2
107.14032	1.2
108.02191	40.8
109.02979	23.4
111.00906	3.6
113.02465	18.9
115.04005	4.3
119.03514	8.1
119.05022	1.3
121.02981	33.4
122.03349	1.5
123.00897	2.8
123.04533	1.2
125.02467	39.9
126.02847	1.7
129.01888	1.1
131.03531	6.1
135.04503	1.3
136.01703	2.2
137.02467	59.0
138.02800	1.3
143.03503	5.6
144.77692	1.1
149.04567	13.1
151.04025	2.8
152.00003	2.2
152.01180	37.1
153.01981	13.3
153.05534	1.6
154.09000	1.3
161.02602	1.2
161.04559	5.4
161.09669	1.8
165.01871	1.1
179.03481	1.7
179.05617	2.7
179.10855	1.2
191.05672	6.3
197.06097	7.7
199.07684	1.6
201.15002	4.8
227.07175	41.1
227.99232	1.3
228.07368	2.1
233.06680	29.7
234.07004	1.8
281.06604	3.5
293.08810	21.3
315.07184	10.9
341.27020	1.4
359.28040	14.6
363.20242	2.2
413.10944	15.3
461.24619	2.8
461.31332	5.7
477.17697	21.0
478.17926	1.7
479.32428	1.7
520.32184	2.4
521.16736	24.6
521.26184	3.1
521.33337	66.0
522.16809	2.2
522.33600	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	521.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
64.30785	1.2
65.00327	3.2
78.95889	1.6
79.95743	3.7
96.96025	100.0
107.01393	2.9
119.05010	3.5
147.08153	3.1
151.00414	12.0
165.09239	3.0
178.06378	1.7
181.96390	1.2
201.12740	1.9
229.03500	1.4
232.11067	1.5
233.08194	8.9
234.08534	2.9
255.17609	9.7
256.17862	3.8
266.98264	3.7
307.10532	1.5
369.13715	2.6
423.18002	2.4
451.10681	4.7
461.13004	11.0
489.26563	10.7
490.26733	9.6
521.14996	5.8
521.25232	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	521.094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.0
57.03445	4.0
57.67961	1.2
59.01383	11.9
61.98837	1.8
71.01390	9.4
71.54398	1.4
75.00874	3.6
83.01394	2.4
85.02959	27.8
87.00871	2.0
88.98801	5.3
89.02449	4.3
93.03484	1.6
95.01398	1.6
96.96007	6.1
99.00871	2.0
101.02447	3.8
105.03465	2.0
109.02966	8.8
113.02448	5.2
116.92892	1.6
117.03455	2.3
119.05022	7.4
121.02954	2.1
122.06138	1.6
125.02417	2.1
128.03560	1.3
128.86879	1.4
129.01958	6.2
131.05042	2.0
132.02155	2.1
133.02972	52.3
135.02979	1.6
135.04549	4.3
137.02426	3.5
145.02879	1.2
147.02997	3.6
147.04410	2.5
148.05164	1.2
149.02420	9.1
151.03969	2.1
159.04530	2.4
161.02409	6.2
161.04572	1.5
163.00346	1.2
163.04024	9.1
166.05045	2.0
173.00970	1.3
173.02373	2.7
175.02567	1.9
175.04001	18.6
175.07635	2.1
177.01939	16.2
177.05547	1.9
177.52336	1.3
179.03465	2.1
184.06114	1.7
185.02501	1.9
191.01945	12.1
191.03528	2.7
191.07120	2.1
201.01912	5.4
203.03554	8.5
205.01410	18.7
209.02943	1.4
211.04054	2.3
219.02925	3.3
221.04437	1.5
224.04724	1.8
225.05573	1.9
227.03510	2.1
235.02458	1.7
239.07101	2.8
241.05098	3.7
243.06538	1.2
247.02422	5.1
253.05118	2.3
255.02802	1.6
255.06564	2.1
265.05103	6.1
267.06754	5.5
269.04471	1.6
282.05502	2.3
283.06152	6.5
285.04251	1.9
293.04691	2.4
296.03494	1.6
296.68033	1.4
297.04056	9.2
298.04599	3.4
299.05423	5.8
309.04044	4.0
311.05630	21.0
314.08670	1.8
321.15564	2.0
327.05078	21.3
328.05493	1.7
329.10129	1.8
329.13922	4.5
339.05109	100.0
340.05368	5.3
344.12585	5.0
355.04535	8.9
357.06140	8.6
359.15079	16.1
365.02875	3.7
369.06085	4.1
381.05466	1.6
383.04092	41.8
384.04312	2.9
401.05154	4.1
413.05161	1.8
447.09427	15.1
459.09344	9.4
475.09003	2.4
503.08310	57.1
504.08673	5.3
521.09332	57.5
521.21320	6.6
522.09601	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	521.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03518	1.8
57.03427	3.0
57.50741	1.8
58.68792	1.9
59.01387	5.1
71.01390	4.4
71.45515	2.4
71.45849	2.8
85.02966	17.1
93.03458	4.7
96.96025	13.6
99.00895	4.0
117.05600	3.1
119.05052	4.9
123.04483	2.4
123.88512	1.9
125.02430	3.3
125.17174	1.9
131.05029	3.1
132.05853	4.2
133.06607	6.3
137.02467	2.1
137.72449	1.8
145.06609	4.2
147.02997	3.3
147.04550	12.5
149.06120	2.4
152.91779	11.8
157.06638	4.0
160.05365	4.0
161.06104	4.2
161.08336	2.2
163.07646	2.4
169.06564	3.3
170.88011	1.9
173.06097	8.3
175.03999	5.3
175.07581	4.4
177.01909	2.3
187.07668	16.3
189.05614	14.0
191.01985	5.8
191.07138	6.4
194.92807	5.8
201.05602	18.7
203.03525	3.0
205.05009	5.5
219.06636	13.2
220.94313	2.9
221.04521	10.1
258.38538	2.4
261.07761	4.2
263.05707	15.1
266.33749	2.3
279.08893	4.1
323.07727	100.0
324.08112	6.7
326.93661	4.5
485.12637	2.9
502.98911	3.1
521.10614	31.0
521.17889	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20781	0.9
57.03455	1.6
58.00583	1.6
59.01386	36.4
69.35719	4.9
69.36132	3.7
71.01013	1.8
71.01389	21.7
72.99307	2.2
73.02940	1.2
75.00854	1.5
85.02959	6.2
86.14391	1.2
87.00869	1.6
89.02454	30.5
96.95984	1.3
98.19955	2.2
101.02455	12.1
103.02186	0.8
108.02176	5.9
109.02959	3.1
113.02461	9.8
114.37026	0.9
119.03502	11.6
121.02988	1.1
131.03479	1.6
143.03485	2.0
148.43297	1.1
149.02493	1.4
149.04526	1.5
149.33202	1.0
152.01189	8.9
153.01932	2.8
157.62250	1.0
160.05304	2.4
161.04601	1.6
166.23793	1.0
179.05640	5.2
189.05600	2.2
189.23558	1.2
190.02713	1.6
190.06296	2.1
191.03552	2.2
205.05096	1.9
205.08728	2.6
211.03954	1.3
227.03427	2.7
227.07321	1.4
255.03053	10.7
256.03687	1.7
283.02496	11.0
284.03287	49.7
285.03540	3.0
296.10486	2.3
297.03931	3.5
298.04935	4.8
299.05630	100.0
300.05881	6.7
311.12833	1.7
326.04440	1.1
341.06790	2.1
341.14050	9.9
403.13239	1.4
446.08649	2.3
461.04901	1.8
461.10977	24.2
462.10901	1.6
485.86896	1.2
521.12842	7.7
521.19769	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	521.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.4
60.99311	16.5
69.42337	4.9
69.42755	2.1
71.01391	5.4
72.99312	1.0
73.02946	1.7
76.70284	0.8
83.01408	1.4
85.02953	5.2
87.00895	1.0
88.98815	100.0
89.02464	1.2
93.03462	1.3
101.02435	3.5
113.02436	2.8
117.03468	2.7
121.02970	1.4
123.04535	1.0
134.03741	1.0
137.02486	1.4
147.02959	1.0
160.71899	0.8
161.02396	1.7
161.96840	0.9
163.04004	2.2
165.05602	2.0
165.68758	1.0
180.58243	0.8
193.05162	1.2
246.00252	0.9
249.06120	1.2
281.04706	1.1
283.06161	19.0
284.06384	1.3
311.05637	30.4
312.05988	2.2
323.05618	1.7
341.06570	2.4
359.15186	1.9
364.07803	0.9
370.77679	0.9
390.25357	0.8
431.09839	43.6
432.10034	3.5
433.27805	0.9
448.00018	0.8
477.14383	1.3
520.28326	3.1
521.21527	4.7
521.28949	1.4
525.49121	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	6.9
59.01390	14.4
61.98828	3.4
63.40993	1.2
63.78193	1.2
71.01387	10.3
71.54592	1.7
72.99308	1.7
73.02940	2.1
75.00887	3.0
78.33243	1.1
78.95908	1.5
80.55759	1.1
83.01397	1.5
83.04991	1.2
83.23328	1.1
85.02468	1.7
85.02964	32.0
85.31569	1.4
85.52796	1.1
88.98804	3.9
89.02460	5.2
93.03457	1.6
96.96008	5.0
99.00885	1.8
101.02444	3.3
109.02984	12.6
111.00888	2.4
113.02443	4.9
119.05068	6.6
121.02946	1.9
123.04505	2.3
125.02476	2.7
129.01952	5.7
131.05017	1.6
133.02975	48.9
135.04541	2.5
137.02451	3.4
145.02972	2.1
147.03038	6.9
147.04503	4.0
149.02481	8.6
149.04616	1.7
150.34425	1.2
151.03966	2.9
158.03806	1.2
159.04514	2.1
161.02473	7.3
161.06004	1.3
163.00407	1.5
163.04039	12.3
173.02515	2.2
174.03227	1.7
175.04031	17.7
177.01927	16.9
184.06194	1.5
185.02429	3.4
191.01967	8.0
191.03542	3.1
199.03963	1.3
201.01909	4.5
203.03470	9.8
205.01439	16.6
209.02936	3.6
210.03217	1.4
219.02965	4.3
224.04884	1.8
225.05531	1.9
226.02605	1.4
227.03581	1.4
229.01343	1.5
229.05240	1.4
237.05548	2.2
238.06256	1.8
239.07118	4.7
240.04361	1.6
241.05038	4.2
241.10831	1.7
246.77608	1.1
247.02422	5.0
249.06004	1.9
251.03613	1.2
252.04404	1.8
253.05017	1.3
254.05479	1.4
255.02983	2.0
255.06555	1.9
265.04950	3.0
267.02914	1.2
267.06674	6.3
268.03772	1.4
269.04547	2.2
281.04459	1.5
282.05267	2.4
283.05978	7.3
284.03345	2.7
285.03851	1.9
293.04224	2.4
296.03168	1.9
297.04114	9.2
297.07050	2.0
298.04633	3.0
299.05502	7.4
309.04156	4.4
310.04791	2.6
311.05646	21.8
312.05783	1.5
313.07434	1.9
314.08719	2.5
321.04095	1.8
321.15604	3.4
327.05087	22.9
329.13931	5.7
339.05109	100.0
340.05493	7.3
344.12610	5.6
355.04510	8.3
357.05890	6.6
359.15073	17.3
365.02979	3.8
369.06152	4.3
383.04126	48.2
384.04333	3.5
401.05090	5.7
447.09323	18.5
459.03223	1.5
459.09290	10.1
475.08780	2.9
503.08411	53.9
504.08710	5.1
521.09369	62.7
521.20752	6.4
522.09863	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	520.204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13298	0.5
57.03451	0.7
58.76199	0.5
59.01387	25.2
60.01723	0.5
61.98837	100.0
71.01395	4.8
73.02954	1.9
75.00884	0.9
76.39884	0.5
83.01427	0.8
85.02951	3.5
87.00886	0.5
89.02467	2.3
96.96040	0.7
101.02460	4.3
108.02184	0.5
113.02486	2.1
119.03540	1.2
119.04965	0.6
131.03564	0.5
138.03308	0.7
161.04553	1.0
176.53882	0.5
191.01990	1.2
207.10332	1.6
208.10762	0.6
215.12918	0.6
275.34485	0.6
286.04449	1.4
295.28055	0.5
299.05814	0.8
300.02670	0.8
300.06396	1.3
301.06934	1.6
315.08847	0.8
316.09247	1.8
386.22702	0.5
389.25540	1.0
413.21884	0.6
520.11932	1.0
520.19415	1.4
520.32385	1.1
521.33881	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.7
57.03444	0.9
59.01390	25.2
61.98828	1.7
63.92137	0.4
71.01394	8.7
71.48446	0.4
72.99338	0.7
73.02945	3.0
75.00892	0.4
83.01392	2.0
85.02967	4.6
86.00097	0.4
87.00890	1.4
89.02469	2.5
89.19305	0.4
95.01414	1.4
97.02942	0.5
99.00919	1.5
101.02458	5.9
113.02457	3.6
119.03532	0.6
125.02452	0.7
126.18188	0.4
129.01956	0.5
130.08723	0.7
143.03549	0.6
161.04562	0.9
185.11806	1.1
249.13010	0.4
309.24411	1.0
315.25525	0.9
322.20328	1.1
327.25439	6.2
339.25458	5.2
341.26968	1.9
357.26492	14.3
358.27005	0.7
361.12796	0.5
365.58661	0.4
377.74060	0.5
436.73575	0.4
441.28430	0.5
459.29919	2.7
460.29700	0.4
477.30862	2.1
489.30695	2.8
501.31073	1.3
519.31805	100.0
520.32129	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
57.03444	1.1
59.01387	13.0
61.98820	1.2
70.95630	0.7
71.01390	7.5
71.04974	0.4
72.99313	0.8
73.02946	2.6
78.33852	0.4
78.95894	0.4
83.01385	1.1
85.02967	3.9
87.00893	0.8
87.39863	0.4
89.02460	2.1
95.01409	0.4
96.96024	0.5
99.00886	1.1
101.02460	4.7
101.05234	0.4
111.00897	0.9
111.05582	0.4
113.02456	2.4
123.58184	0.4
125.02463	0.8
145.02931	0.7
161.04526	0.5
209.08243	0.9
279.23163	0.6
291.23248	0.9
297.24271	1.2
309.24448	0.8
321.24261	0.7
327.25375	8.9
328.25851	0.7
339.25415	4.8
355.24963	0.5
357.26486	20.3
358.26755	1.3
405.95111	0.5
487.17490	0.7
489.30533	2.0
501.30783	1.2
519.31787	100.0
520.32043	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
61.98838	100.0
63.88660	0.8
69.35534	1.1
69.35932	6.2
76.26890	0.8
102.05617	3.7
144.06664	1.0
179.60628	0.8
199.76662	0.8
233.35791	0.9
456.36963	3.7
545.97302	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03704	0.7
55.01900	0.9
57.03451	2.2
58.00598	0.9
59.01387	67.4
60.01721	1.3
61.98838	100.0
68.78485	0.8
69.75130	2.6
69.75540	1.7
71.01389	19.6
71.44736	0.8
72.99304	2.6
73.02963	4.4
83.01381	2.1
85.02964	8.8
87.00891	1.2
89.02457	10.2
95.01398	2.2
96.96019	1.6
97.02969	0.9
99.00890	1.8
101.02454	14.3
108.02187	6.2
109.02979	1.8
111.76642	0.7
113.02463	7.9
114.02835	0.8
119.03522	4.6
125.02454	1.4
143.03508	0.9
149.04497	1.1
152.01173	8.2
161.04565	5.7
164.04846	0.9
179.05656	1.5
265.82150	0.8
285.04037	0.9
292.15405	0.8
315.07172	1.2
315.18277	1.9
328.25635	1.2
340.25900	1.2
357.26416	2.9
358.16925	2.1
358.26859	3.3
359.28067	5.1
371.20712	4.9
413.21780	3.0
461.24002	6.4
461.30573	1.7
477.17599	4.3
519.31787	7.7
520.24805	1.3
520.32220	16.7
521.16589	2.7
521.33289	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	519.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.7
57.03461	3.1
58.00601	1.3
59.01387	36.5
61.98838	11.7
69.03457	2.0
71.01391	42.1
71.55436	0.9
72.99314	2.2
73.02953	16.8
74.34858	0.7
75.00885	2.7
78.95911	1.3
79.95730	0.9
82.95417	3.9
83.01396	7.5
84.02193	0.7
85.02959	22.3
87.00886	3.0
89.02463	10.8
95.01416	2.8
96.96021	9.1
96.96975	2.5
97.02958	2.1
99.00896	7.2
99.04508	0.7
101.02452	29.5
111.00891	1.6
113.02463	14.0
119.03539	2.2
125.02480	2.4
131.03534	2.0
134.44595	0.6
143.03506	1.8
149.04616	1.1
150.70714	0.6
159.03070	1.7
161.04573	8.6
179.05618	0.8
191.05708	0.7
191.54341	0.6
201.14954	0.6
207.10281	0.8
209.01193	0.6
233.06792	0.9
233.59456	0.6
272.30881	0.6
343.21259	15.2
344.21545	1.3
357.26569	3.8
399.23734	0.8
417.25162	0.8
475.25607	4.8
519.24658	100.0
519.31836	16.1
520.24884	10.5
520.31958	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27552	1.3
51.34640	1.2
55.01863	2.4
57.03450	1.2
57.22361	1.2
59.01384	48.1
59.14929	1.4
61.98836	6.7
67.52609	1.4
71.01383	11.0
71.54984	2.3
73.02940	4.1
83.01395	3.0
84.97311	1.3
85.02966	9.9
87.00889	2.5
89.02443	3.1
94.98269	1.5
96.96024	2.5
101.02462	10.0
106.54585	1.2
113.02457	3.9
119.03474	1.7
121.02994	1.7
122.15823	1.2
128.10788	1.9
130.08759	34.0
140.55676	1.5
147.06683	2.2
150.40399	1.3
161.04590	1.4
267.19644	1.3
314.35666	1.6
322.20282	27.5
327.25339	5.1
339.25336	5.9
357.26480	17.8
358.26456	1.9
364.28955	1.4
394.16345	1.4
415.20612	1.7
459.29190	2.2
501.30920	1.8
519.32446	100.0
520.33197	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	519.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00331	2.5
69.92211	1.9
77.89105	1.9
95.05048	2.0
98.19890	5.2
109.06576	2.3
119.05031	15.1
121.02942	2.0
151.07684	3.1
165.01920	22.3
175.00363	2.7
175.07787	2.3
175.88577	2.2
176.04755	2.3
186.03239	2.2
200.12000	5.2
201.05598	5.4
203.58122	1.8
204.04285	2.5
213.58844	1.9
219.06621	18.2
219.13803	2.8
229.08755	4.4
229.15924	5.1
231.06589	4.1
232.11009	10.3
243.06564	5.8
245.08272	1.9
255.17532	45.1
257.08279	3.5
263.09247	13.2
281.15729	2.0
287.12985	8.9
309.07590	3.2
363.12332	3.2
421.20224	100.0
422.20526	10.7
460.18216	2.8
475.24857	2.8
508.94302	2.3
519.27496	85.7
520.27917	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	519.3179
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01855	0.7
57.03444	0.4
58.00599	0.8
59.01388	18.6
61.98836	1.4
62.83140	0.4
69.03461	0.5
69.63123	2.3
71.01394	10.8
71.37186	0.3
72.99319	1.1
73.02956	2.1
75.00872	0.6
83.01396	1.8
85.02962	4.3
87.00877	1.5
88.61617	0.4
89.02454	3.7
95.01411	0.8
96.96040	0.5
98.20629	0.9
99.00877	0.8
101.02455	6.4
111.00900	0.9
113.02464	3.3
114.41177	0.3
119.03515	1.0
121.02983	0.4
125.02419	0.7
128.03555	0.5
146.98788	0.4
147.06612	0.6
161.04541	0.6
168.47446	0.4
173.47099	0.5
185.11845	1.5
223.13469	2.2
255.06734	0.9
297.24359	1.1
309.24304	3.0
315.25525	0.5
327.25375	7.6
339.25403	6.0
340.25745	0.8
357.26486	18.4
358.26761	1.4
446.50949	0.5
459.23544	0.5
459.29498	2.2
477.24228	0.6
477.30878	1.3
489.30566	2.4
490.30707	0.4
501.30734	1.5
519.31799	100.0
520.32166	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	519.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78249	0.5
59.25348	0.5
65.00329	0.6
66.18933	0.4
68.99807	0.6
70.94952	0.8
78.95931	2.6
84.34175	0.4
88.53574	0.5
93.27308	0.4
96.96967	0.4
109.02940	0.6
109.06609	1.2
119.05016	1.1
123.00953	0.9
123.04519	1.7
132.05829	38.1
133.06279	0.8
136.05324	0.6
136.63535	0.5
137.02460	0.5
139.03951	0.5
145.06639	0.6
151.00352	0.8
152.99586	4.3
156.05823	0.5
163.04089	0.5
163.07634	0.9
164.04813	21.8
165.01968	1.1
165.05504	0.8
175.11292	4.3
177.01984	3.3
187.11301	100.0
188.11626	4.4
189.05559	1.3
191.03545	0.6
191.10803	9.9
199.11290	1.5
205.05109	0.7
207.06673	0.5
211.11293	4.6
215.10791	1.7
217.12451	0.8
219.06647	1.5
233.04590	1.7
234.05360	2.1
235.06026	0.6
235.13367	2.2
243.10303	2.0
250.04781	0.7
255.10300	2.2
255.17625	3.2
261.11426	1.6
287.12943	0.8
305.13977	3.1
330.99631	0.6
331.11850	2.9
407.18817	1.8
437.19543	1.0
475.21085	2.0
519.23920	85.8
520.24237	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	519.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02399	2.9
65.00331	12.5
70.68401	1.8
70.68733	1.9
78.95928	5.7
83.01391	5.6
87.17046	1.0
107.01402	16.7
107.05025	1.8
109.02982	1.8
111.80781	1.1
119.05030	3.4
125.02438	2.7
132.05855	6.2
133.06525	1.2
135.00870	2.2
137.02376	1.3
145.06560	1.3
151.00386	49.7
151.07613	1.3
152.01176	1.2
152.99622	10.4
163.00386	6.9
163.07732	1.1
164.04788	3.3
165.01941	2.7
165.05693	1.5
169.01355	2.2
176.01219	1.7
177.01952	7.4
177.05551	1.5
187.04036	1.3
187.11279	15.3
189.99094	4.8
191.10895	1.8
195.20218	1.5
200.12064	3.9
201.16333	1.1
202.99725	1.3
205.01315	1.2
205.05086	1.9
215.91280	1.2
219.02995	2.9
219.06575	1.5
229.16003	2.8
232.10944	8.1
233.04597	3.7
234.05289	2.5
255.17572	50.8
256.17813	2.6
263.05615	5.7
267.10416	1.2
289.07199	16.2
321.18387	1.4
339.12347	3.4
391.18948	2.1
407.18637	33.7
408.18839	2.0
419.18481	1.8
421.16602	5.2
422.16998	7.1
475.21469	3.1
501.22797	1.7
519.23901	100.0
520.24219	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	519.239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51069	0.5
57.03445	0.5
59.68568	0.4
65.00326	2.7
68.99812	0.5
69.39554	1.4
69.39971	2.0
72.40114	0.4
78.01134	0.5
83.01399	0.9
83.05035	33.6
95.05028	1.0
98.19845	0.9
107.05027	0.6
108.02237	0.5
110.00105	0.8
113.06114	0.8
115.05553	1.2
119.05042	6.8
121.02887	0.5
131.05048	0.9
132.05807	1.0
133.06612	12.2
135.04555	2.4
136.98817	2.3
137.99577	1.3
143.05048	0.8
147.04573	1.1
159.04527	1.4
160.90256	0.4
161.06047	0.8
163.03943	0.4
163.07683	0.4
163.11304	2.4
172.05254	0.5
175.04015	1.1
176.04565	0.5
177.05580	0.7
178.06361	0.6
181.49663	0.4
183.04500	0.6
185.02332	0.6
186.03194	2.8
187.04059	0.8
188.04794	2.3
189.05586	1.2
190.06384	2.4
191.07085	1.2
192.04283	0.5
201.05547	1.8
203.03554	1.3
203.07219	2.3
203.10802	1.3
204.04306	1.1
204.11502	0.7
205.05064	16.1
205.93091	0.4
206.05493	0.6
211.03990	0.6
215.03537	1.2
216.04398	0.6
218.05902	1.0
219.02774	0.5
219.06583	1.0
225.05588	0.8
227.03506	0.8
233.04532	1.0
237.09209	0.5
244.03860	0.5
255.17433	0.6
256.03775	1.9
257.11841	1.2
267.14020	0.8
271.06091	0.6
273.18558	3.0
295.09726	0.7
311.13300	0.5
321.11163	0.7
324.10092	2.3
325.10803	0.5
327.12384	2.8
339.12384	100.0
340.12787	6.3
340.16644	0.8
353.10327	1.9
367.11871	4.6
368.12558	1.2
381.09665	2.4
421.20215	0.8
423.18127	5.5
423.23398	0.7
424.18439	0.6
435.18027	0.9
437.19717	0.7
473.23111	0.5
501.22815	2.0
519.16937	0.9
519.23926	11.7
520.24292	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33642	0.4
59.01367	0.5
67.01894	0.9
68.99823	0.7
69.53300	0.9
69.53709	2.0
73.06593	0.5
80.08035	0.4
85.80764	0.5
88.78712	0.4
97.06632	0.6
104.82299	0.4
109.06602	0.9
119.05045	0.9
121.06612	0.5
123.00880	0.6
123.04545	1.5
132.05827	40.5
133.06223	0.6
135.04572	0.5
136.05284	0.9
139.04037	0.9
147.04486	0.7
148.05254	0.5
151.00412	0.6
156.05795	0.8
159.04532	0.5
162.06898	0.5
163.07703	0.8
164.04819	20.5
165.02046	0.7
165.05421	1.5
175.11266	5.3
176.01096	0.5
177.01917	2.4
179.07095	0.6
185.09752	0.5
187.11305	100.0
188.11667	4.2
189.05586	1.5
191.03590	0.7
191.07256	0.5
191.10779	8.3
199.04065	0.8
199.11288	1.9
205.05179	0.8
207.06653	1.1
208.07596	0.7
211.11324	5.6
215.10982	0.6
217.12392	3.0
219.13947	0.7
231.14000	0.5
233.04608	2.3
234.05336	1.9
235.06062	1.1
235.13417	1.3
243.13934	0.5
255.10243	3.2
261.11301	1.1
287.12973	0.8
303.12527	0.9
305.14029	4.3
331.11816	3.6
421.16794	0.6
422.17267	2.6
423.17780	0.6
450.16852	0.7
475.21228	2.2
519.23920	88.0
520.24261	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	519.1879
Annotation	(-)-Pinoresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.05488	0.5
50.54605	0.4
50.94909	0.5
57.03445	0.5
59.01388	3.5
61.98819	0.9
67.20646	0.5
69.58340	1.6
69.58756	1.6
71.01390	3.8
73.02975	1.6
75.00877	0.6
85.02947	3.3
88.98803	0.9
89.02454	1.4
91.56231	0.5
93.03460	1.1
95.01426	0.5
98.19905	0.9
99.00879	0.7
101.02444	2.4
108.02279	1.0
109.02972	0.7
113.02460	1.7
121.02992	5.7
122.03737	2.5
125.02429	0.5
134.03751	1.5
136.01677	73.0
137.02341	2.1
151.04024	100.0
152.04347	2.5
152.11678	0.5
159.03122	0.6
159.04517	0.7
160.05345	1.0
161.02492	1.2
161.04567	1.7
162.03195	1.3
163.03970	0.9
175.03999	1.1
175.07701	1.5
177.05650	0.8
179.03551	1.0
187.03857	0.5
189.05563	1.0
193.05051	1.0
225.05574	1.3
297.04150	1.5
304.70541	0.6
311.12894	0.7
342.11017	5.6
357.13455	96.1
358.13782	8.1
389.12540	0.9
481.73611	0.6
519.18445	1.2
519.32074	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18221	0.9
68.99828	2.9
71.54602	1.8
75.00810	1.1
75.49851	1.1
75.95989	0.8
84.40714	0.9
91.01902	5.7
110.00092	8.1
118.53246	1.2
119.05035	9.5
123.00895	1.9
133.06616	2.4
137.99596	8.1
151.00427	6.0
157.06584	1.4
161.06023	1.2
163.00377	10.8
163.04028	10.0
177.05540	2.8
178.06348	10.1
178.99895	2.7
188.04762	1.5
190.99846	2.9
191.03508	6.2
191.07230	5.1
203.07013	1.9
205.05081	3.4
206.05872	8.4
216.04269	1.7
217.05113	1.1
218.03462	1.0
219.06647	12.9
233.04535	4.3
234.05331	36.6
235.05740	1.9
243.06578	1.1
247.06075	4.0
285.07803	2.1
297.07663	3.6
297.11169	2.2
304.30191	0.9
312.13687	1.1
313.07098	1.4
325.07104	6.9
325.10849	2.6
340.13126	2.3
341.13785	2.7
353.10315	4.4
368.12650	100.0
369.12952	6.3
437.19720	90.0
438.20035	10.5
534.81342	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24058	0.4
55.01890	0.8
57.03445	1.9
58.00595	0.5
59.01383	11.8
61.98822	1.3
69.03445	0.6
69.22431	3.0
69.22849	0.7
71.01012	0.7
71.01389	10.2
72.99301	0.9
73.02951	3.1
75.00891	0.8
78.95914	7.4
79.95740	3.2
83.01398	2.6
83.05060	0.5
85.02959	6.1
87.00881	1.0
87.04470	0.4
89.02457	3.9
93.03440	0.6
95.01392	1.2
95.11088	0.4
96.96023	100.0
96.96935	13.9
97.06569	0.4
99.00885	1.0
101.02458	6.9
105.97988	0.4
111.00890	0.9
113.02468	3.6
116.95313	0.3
119.03522	1.7
119.05066	1.4
121.02947	0.5
125.02529	0.4
129.01945	0.8
132.98163	0.4
135.04538	0.4
137.09750	0.6
143.03516	0.6
151.00441	0.7
151.11314	0.4
158.09531	0.5
159.03029	0.6
161.04573	1.6
177.02040	0.9
179.05544	0.6
191.01926	0.6
198.99466	0.4
221.19130	0.5
251.20190	0.8
271.06247	2.0
283.19376	0.4
309.87732	0.4
318.86200	0.4
339.18375	0.6
357.26520	6.1
387.13190	0.5
413.25458	0.9
476.35608	0.4
489.19193	1.5
501.30966	0.7
519.18164	1.4
519.31842	21.5
520.32269	1.2
548.50006	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
57.03451	0.9
59.01385	6.8
61.98825	1.3
67.05518	0.7
68.42988	0.5
68.99821	0.6
71.01389	4.7
72.99317	0.7
73.02955	0.6
75.00867	2.0
78.01086	0.6
81.64726	0.6
83.01382	2.4
85.02961	6.3
87.00876	1.4
89.02441	1.6
93.03465	1.3
94.37970	0.5
95.01380	2.0
95.05048	0.9
97.02971	1.7
99.00893	1.8
101.02468	0.8
109.02947	0.9
113.02457	4.2
114.06876	0.7
115.00380	0.5
119.03542	0.6
119.05028	1.0
121.02940	0.8
122.00103	1.9
123.00896	1.2
125.02464	0.9
127.07690	0.7
129.01932	0.8
136.01682	0.8
137.02466	8.3
138.03227	5.0
139.04045	5.4
145.02991	0.5
147.03023	0.7
147.08153	0.8
151.00400	0.8
151.03984	1.5
161.09755	1.1
163.07603	0.7
163.11264	0.8
165.01987	0.7
165.04150	0.5
165.05556	1.3
165.09212	16.4
166.09564	0.6
168.21722	0.5
170.02237	11.7
180.05850	1.2
181.06627	3.8
181.12419	1.3
183.04533	1.4
189.09232	3.2
191.01909	0.6
194.88100	0.5
199.04015	0.7
205.08719	0.9
207.10287	100.0
208.10637	4.0
224.03226	0.7
225.05594	36.7
225.11337	6.1
226.05977	1.9
227.03609	0.7
230.21581	0.6
233.08229	5.2
243.03058	1.7
244.07428	0.9
249.06192	2.4
251.09277	1.2
255.03008	1.5
267.07169	2.8
269.10364	2.1
271.02536	3.5
271.05875	0.7
285.04022	0.8
293.10416	2.2
299.01968	6.0
300.02765	3.7
313.14478	19.6
314.04343	4.2
314.14856	1.4
315.05127	9.0
316.05545	0.8
339.12350	4.4
341.10492	0.8
343.13861	1.4
353.10513	1.2
357.13339	1.0
383.13397	0.7
399.14789	1.3
413.14435	5.0
459.15857	0.9
475.18439	0.6
488.44336	0.6
519.18427	55.6
520.18848	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	519.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93270	0.4
59.01391	6.8
61.98842	1.2
69.40399	3.9
71.01397	3.2
72.99311	0.8
73.02967	1.3
75.00884	0.5
78.95911	6.5
79.95753	2.7
83.01403	1.1
85.02947	2.7
87.00920	0.5
87.84890	0.5
89.02477	0.8
96.96024	100.0
96.96933	10.5
98.20843	0.5
101.02467	1.3
113.02462	1.3
117.55650	0.5
119.03532	0.9
161.04536	0.5
165.01945	0.7
191.01945	0.6
207.10344	0.5
227.42841	0.5
269.04547	1.2
275.41537	0.4
282.05334	1.0
297.04089	2.8
297.07690	1.3
315.05170	0.9
344.73761	0.5
355.97345	0.5
357.26633	1.3
429.99271	0.5
519.19794	2.4
519.32245	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	519.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
57.03444	1.4
59.01371	2.9
60.46667	0.7
69.03446	1.4
69.35362	6.1
71.01380	2.8
73.02961	2.0
75.00861	1.3
81.03468	3.1
81.50241	0.7
83.01395	4.3
84.62285	0.8
85.02952	6.3
85.06597	1.4
87.04501	4.4
93.03474	0.8
95.01373	1.2
95.05038	3.6
97.02956	3.7
107.05045	0.9
109.02947	2.4
109.06599	1.2
111.00910	1.1
111.04524	10.6
113.02477	2.3
119.04995	0.9
121.02940	1.3
121.06544	1.1
123.00890	0.8
123.04534	4.6
123.08196	0.9
125.02455	8.5
129.01924	0.9
135.04506	1.0
136.05238	0.7
137.02457	4.0
137.06139	1.0
139.04036	6.4
142.65353	0.7
147.03027	1.0
147.04573	1.0
149.02478	1.2
150.03214	1.2
150.06769	1.0
151.04051	2.3
151.07646	7.1
153.05557	1.9
163.03925	1.4
163.07637	2.2
164.04784	1.0
165.01918	2.1
165.05594	1.9
165.09195	3.2
167.03513	14.3
167.07104	3.1
175.07780	0.8
177.05672	1.0
177.09192	0.7
179.03520	2.1
181.05095	0.9
181.08694	0.9
191.07127	2.9
192.07846	1.1
193.05028	2.3
193.08694	2.4
195.06624	12.6
197.04552	3.5
203.07216	0.9
205.04991	0.8
205.08768	1.3
207.06601	4.5
207.10199	1.2
208.07326	1.0
209.04573	8.6
217.08629	1.4
221.08141	2.6
225.07739	1.0
237.07697	20.7
239.05659	2.9
249.07707	8.7
251.09319	1.8
261.07770	1.0
263.09299	1.9
267.08728	6.6
279.08755	100.0
280.09137	4.3
291.08762	4.5
293.10129	1.0
309.09824	65.6
310.10098	3.8
321.09814	3.0
339.06894	1.5
339.10828	19.9
351.10785	2.1
363.10794	1.2
381.11804	7.1
399.12949	14.2
411.13010	5.7
429.13754	1.8
501.15704	2.0
519.16974	10.3
520.17603	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64205	1.3
57.03455	2.6
59.01387	38.8
61.98838	37.0
66.24023	1.7
69.03487	1.7
71.01393	15.6
71.05033	1.3
71.55270	1.9
72.99319	2.0
73.02959	6.0
79.28200	1.4
81.03496	1.6
83.01390	3.7
85.02962	13.4
87.00898	3.0
89.02475	8.4
95.01389	2.7
96.96027	6.4
97.06564	1.9
99.00904	2.5
101.02457	10.5
111.00895	5.7
113.02468	7.5
115.92142	1.7
119.03492	3.4
119.05022	1.6
123.00892	3.4
125.02444	3.7
133.02986	4.0
136.01721	7.1
137.02455	5.8
138.03299	1.9
147.04343	1.4
148.01686	11.5
149.02438	5.1
151.04031	13.6
160.01660	1.9
161.02460	16.4
161.04564	2.8
163.04071	8.2
165.09210	4.7
170.02242	3.5
177.02055	1.6
179.05516	1.6
181.12354	2.0
187.04054	1.6
191.02061	3.6
207.10284	40.1
213.05643	5.2
215.03415	1.5
225.05595	3.8
225.11340	2.0
229.05174	4.6
239.03510	2.5
241.05084	4.1
243.03003	3.4
249.06053	2.3
255.02965	2.1
256.03867	2.8
257.04590	6.0
268.03757	2.0
269.04550	2.5
270.01590	1.8
271.02512	6.0
284.03339	3.0
284.06772	1.5
285.04080	68.5
286.04343	4.5
292.86612	1.6
299.01974	7.1
299.05493	3.1
300.02869	8.1
300.06384	96.7
301.06851	6.0
313.14517	7.0
314.04404	2.5
315.05215	9.1
315.08737	100.0
316.09131	5.9
353.10034	2.1
357.13437	3.8
387.24048	4.0
519.11536	4.0
519.19293	18.5
519.32129	7.7
536.74420	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64205	1.3
57.03455	2.6
59.01387	38.8
61.98838	37.0
66.24023	1.7
69.03487	1.7
71.01393	15.6
71.05033	1.3
71.55270	1.9
72.99319	2.0
73.02959	6.0
79.28200	1.4
81.03496	1.6
83.01390	3.7
85.02962	13.4
87.00898	3.0
89.02475	8.4
95.01389	2.7
96.96027	6.4
97.06564	1.9
99.00904	2.5
101.02457	10.5
111.00895	5.7
113.02468	7.5
115.92142	1.7
119.03492	3.4
119.05022	1.6
123.00892	3.4
125.02444	3.7
133.02986	4.0
136.01721	7.1
137.02455	5.8
138.03299	1.9
147.04343	1.4
148.01686	11.5
149.02438	5.1
151.04031	13.6
160.01660	1.9
161.02460	16.4
161.04564	2.8
163.04071	8.2
165.09210	4.7
170.02242	3.5
177.02055	1.6
179.05516	1.6
181.12354	2.0
187.04054	1.6
191.02061	3.6
207.10284	40.1
213.05643	5.2
215.03415	1.5
225.05595	3.8
225.11340	2.0
229.05174	4.6
239.03510	2.5
241.05084	4.1
243.03003	3.4
249.06053	2.3
255.02965	2.1
256.03867	2.8
257.04590	6.0
268.03757	2.0
269.04550	2.5
270.01590	1.8
271.02512	6.0
284.03339	3.0
284.06772	1.5
285.04080	68.5
286.04343	4.5
292.86612	1.6
299.01974	7.1
299.05493	3.1
300.02869	8.1
300.06384	96.7
301.06851	6.0
313.14517	7.0
314.04404	2.5
315.05215	9.1
315.08737	100.0
316.09131	5.9
353.10034	2.1
357.13437	3.8
387.24048	4.0
519.11536	4.0
519.19293	18.5
519.32129	7.7
536.74420	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34700	0.7
55.01880	2.2
57.03454	10.2
57.16031	0.7
58.07790	0.7
59.01380	9.4
68.06147	0.6
68.99815	0.8
70.03391	1.7
70.03781	1.9
71.01395	5.6
72.99322	1.7
75.00884	2.6
76.16370	0.7
83.01389	2.0
84.02179	2.4
84.24117	0.6
85.02960	100.0
86.03307	1.4
87.00890	1.5
87.27182	0.7
89.02473	1.1
93.03465	2.5
95.01333	0.8
96.96026	1.0
96.99311	0.9
103.00383	1.9
113.02480	2.2
119.05047	6.5
121.03002	1.4
125.02387	1.1
129.01958	9.5
133.01465	1.2
143.05077	1.5
145.06609	0.7
147.03021	15.7
163.02692	1.0
163.04033	3.2
165.05569	1.2
170.71875	0.7
191.01996	36.7
192.02357	1.1
209.03047	19.4
223.07550	1.2
237.09215	1.6
239.10915	1.0
249.06093	4.3
265.08792	2.3
267.07217	1.6
283.09836	3.2
299.05783	0.8
327.05182	1.3
327.08740	18.8
328.09158	1.4
366.20871	0.7
408.95563	0.8
415.12671	2.1
447.09467	1.6
474.91644	0.8
475.14648	1.1
519.11102	1.9
520.10999	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76384	1.3
55.01875	1.9
57.03213	1.1
57.03461	13.1
59.01158	1.2
59.01390	13.6
68.68182	1.2
71.01387	10.7
72.99302	3.9
75.00867	3.7
83.01378	1.8
84.02158	2.9
85.02959	100.0
86.03316	1.4
87.00888	2.1
88.98796	3.2
89.02450	5.1
93.03472	15.2
96.26833	1.1
96.96030	8.0
96.99324	2.5
101.02427	2.0
103.00346	1.7
104.74059	1.4
113.02522	1.1
115.00388	2.1
119.05032	13.8
121.02924	1.5
123.80167	1.1
125.02435	2.5
129.01952	10.2
131.05029	2.9
133.01459	2.3
133.02954	4.9
136.12405	1.2
137.02454	3.2
139.03987	1.2
143.05048	16.8
145.02966	2.1
147.03026	11.4
150.03239	1.7
160.09250	1.2
163.04019	9.1
165.05577	2.6
166.15453	1.2
175.03998	1.5
177.02060	1.1
185.66212	1.3
191.01999	60.2
192.02171	1.6
193.01418	1.4
209.03049	39.3
211.07631	5.8
219.08142	1.4
235.07558	1.9
237.09210	4.6
249.06308	1.6
265.08719	17.3
273.06409	1.2
283.06067	1.2
283.09763	1.4
301.03613	1.3
309.04379	1.3
309.07697	3.7
311.05405	2.2
312.06253	2.1
319.04691	2.1
327.08752	87.9
328.09000	5.1
339.05130	4.6
341.06705	1.5
353.06729	1.5
369.06097	3.6
381.06046	1.9
399.07397	8.6
429.08286	5.6
439.68680	1.5
459.09216	4.0
481.10410	1.6
501.10593	1.5
508.50418	1.4
519.11053	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	517.3386
Annotation	Discarine L
Peak:m/z	Relative Intensity
51.59326	1.9
57.03457	2.4
59.01387	100.0
67.17417	1.8
71.01382	2.0
71.22829	2.0
71.47637	2.5
71.47979	2.2
78.95905	7.0
83.05035	6.0
85.06601	8.7
98.49006	2.0
113.09726	6.4
123.08115	2.5
125.09740	8.0
129.05582	6.5
141.09224	3.8
148.02570	1.8
152.98566	1.8
152.99602	13.2
167.10854	10.5
169.08720	17.7
169.15988	11.6
185.11850	34.8
187.09778	64.5
188.10213	3.2
197.19125	2.3
203.09171	2.8
211.09749	2.6
227.20239	13.2
229.10834	56.6
230.11276	2.2
247.11926	52.0
269.21188	6.5
287.22314	69.1
289.12970	7.2
329.23315	3.4
337.14084	2.2
420.15750	2.7
487.24869	2.8
499.32822	11.3
517.18433	2.1
517.33875	66.5
518.34229	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	518.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72666	0.6
55.76508	0.7
57.03457	1.7
59.01386	35.6
61.98838	100.0
71.01388	13.8
72.01761	0.7
72.99936	1.5
73.02951	12.8
74.00716	1.4
75.00896	2.3
78.95923	0.8
82.00715	0.7
82.95419	2.4
83.01409	3.3
85.02958	6.8
87.00899	1.6
89.02441	4.4
95.01414	1.6
96.96026	7.1
96.97014	0.8
98.19915	2.8
98.95577	0.7
99.00895	1.7
101.02452	12.9
107.44732	0.7
110.64433	0.7
113.02475	8.1
119.03520	1.8
125.02475	1.2
131.03510	0.9
134.06152	1.3
135.00000	2.1
143.03491	1.1
143.36172	0.8
149.04581	1.6
150.03378	0.8
161.04620	3.3
207.10281	1.6
249.06171	1.5
267.07361	3.3
268.07602	3.6
271.99759	0.6
399.24112	0.9
455.37393	0.7
518.19489	8.1
518.31000	1.5
519.20367	3.1
519.32288	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	518.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80592	1.6
59.01367	4.3
61.98835	100.0
63.55479	1.7
71.17424	3.8
82.75289	1.8
90.49485	1.7
101.50172	2.0
121.23734	1.9
122.96342	1.8
131.03552	2.4
136.42955	2.1
228.08118	1.9
341.30597	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	519.115
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03448	1.3
59.01384	11.4
61.98835	13.7
69.03454	1.3
71.01389	5.2
72.99320	1.5
73.02956	2.5
75.00880	3.3
83.01420	2.2
85.02946	7.3
89.02444	2.4
95.01391	1.7
96.96038	1.8
97.02954	2.7
101.02439	3.8
107.01376	2.4
111.00939	1.1
113.02455	4.9
114.06895	1.1
123.00922	1.3
123.04475	1.4
125.02409	1.4
137.02483	7.3
138.03191	3.4
139.04041	6.8
148.01604	2.1
151.00362	3.9
151.03979	1.9
161.04575	1.7
163.00331	1.2
165.01967	2.2
165.09241	14.1
170.02228	11.9
175.02728	1.1
180.05791	1.6
181.06578	2.2
181.12341	4.0
183.04518	3.6
189.09222	2.6
199.04041	5.6
207.10281	100.0
208.10596	5.9
215.03578	2.0
225.05585	26.4
225.11362	7.6
226.02769	1.2
226.05846	1.5
227.03603	6.8
233.08215	2.9
237.33395	1.4
242.02097	1.8
243.02975	19.5
244.03491	1.1
249.06200	2.6
254.02328	2.0
255.02997	17.5
267.07254	2.7
271.02502	45.0
271.05490	2.2
272.03046	4.3
273.68851	1.2
285.04111	3.9
293.10315	2.3
299.01993	56.7
300.02777	57.2
301.03122	3.1
313.14447	21.1
314.04367	31.6
314.14633	1.4
315.05136	82.0
316.05548	6.4
343.13962	1.3
357.13409	1.5
399.14880	1.5
413.14673	5.3
519.11304	39.8
519.18500	56.6
519.31512	3.5
520.11823	3.7
520.18982	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	517.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70768	1.3
57.03456	7.2
58.23853	1.2
59.01389	100.0
61.98837	5.8
68.93655	1.4
69.50241	9.5
71.01392	23.8
71.05059	1.6
72.99310	2.0
73.02959	9.5
79.09196	1.2
80.91703	3.4
83.01389	3.0
85.02964	11.2
87.00885	1.9
87.04524	21.7
89.02449	14.8
91.29589	1.3
91.46761	1.4
93.03480	5.3
93.97842	1.3
95.01403	2.2
96.96046	1.9
99.00900	2.8
99.04530	3.6
101.02462	15.5
102.66617	1.5
103.03997	1.6
113.02464	9.1
119.03518	5.4
119.05007	10.0
123.04472	1.7
125.02477	6.3
128.03468	1.7
133.39317	1.5
135.04550	1.5
137.02461	9.8
143.03575	1.8
145.05063	1.5
145.67850	1.3
149.09714	2.6
151.00417	2.6
153.68953	1.5
161.04601	2.8
163.06128	2.9
163.07626	3.3
165.05566	1.3
203.10809	1.6
207.17552	1.7
223.09717	1.9
231.46217	1.3
269.17609	33.0
270.17923	1.6
293.10410	1.6
293.17581	5.1
307.10260	3.0
320.09323	1.6
355.11826	4.5
355.24942	4.4
373.18817	4.0
397.22467	2.5
415.23792	2.3
473.17950	3.3
499.17407	1.8
517.17932	2.5
517.23273	1.9
517.30273	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2083
Annotation	NPC
Peak:m/z	Relative Intensity
50.45237	0.1
59.01382	3.1
64.41473	0.1
68.99820	0.6
69.16911	1.0
69.17324	0.6
71.01392	0.8
73.02951	0.3
79.25988	0.2
79.67672	0.2
83.01391	2.3
85.02964	0.4
85.30771	0.1
87.00880	0.2
89.02458	0.2
93.03471	0.5
95.01402	1.6
97.02953	0.6
101.02414	0.3
107.01384	0.3
109.02981	2.1
111.00888	1.0
112.01652	0.2
112.98582	0.3
113.02477	0.2
119.05044	3.3
121.02895	0.2
123.00894	2.8
124.01646	0.3
125.02460	0.4
137.02460	18.3
138.03246	7.5
139.04051	1.3
148.05281	0.4
149.02460	0.2
150.03278	0.3
151.00397	1.4
151.04031	1.2
153.01958	1.0
153.43680	0.1
156.00642	1.0
162.83968	0.2
163.11363	0.2
165.09221	6.3
166.09540	0.3
170.02226	42.7
171.02551	1.0
172.02704	0.2
177.05721	0.3
180.07942	0.4
182.02235	0.5
189.09244	0.2
191.07205	0.8
203.10765	1.2
205.08675	1.0
206.09462	1.2
207.10277	67.8
208.10622	2.9
209.08278	0.8
215.37897	0.2
219.10252	2.9
225.05598	0.3
238.08530	1.8
243.06624	0.7
244.07361	1.0
245.08212	0.5
276.06354	0.2
294.12564	0.3
295.13321	0.4
311.13043	0.2
312.13724	2.7
313.14474	4.9
313.23862	0.3
314.14975	0.4
355.11975	1.3
355.24957	0.4
404.90369	0.2
420.50540	0.2
447.12830	0.2
448.13126	0.3
457.18674	0.7
457.28229	0.2
475.19754	2.1
475.29083	0.3
517.20825	100.0
518.21198	10.3
518.28790	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	5.3
58.98112	0.8
59.01387	32.0
68.99821	1.2
69.30589	6.7
71.01010	1.6
71.01391	22.5
71.58614	0.8
72.99309	3.8
73.02957	1.4
75.00890	12.1
85.02965	32.1
87.00885	9.5
89.02448	7.7
91.03986	1.4
93.03510	0.9
95.01418	5.2
99.00901	7.8
101.02475	1.8
103.00377	1.9
111.00897	1.0
113.02464	30.4
115.00433	1.5
117.01965	2.1
120.68144	0.8
129.01935	3.0
131.03488	1.6
135.11795	1.4
147.03018	1.0
149.04591	6.5
157.01544	1.1
159.31197	0.8
161.09689	4.0
161.13353	1.6
163.11296	1.8
175.02493	1.7
179.10793	17.8
180.11089	1.4
187.11310	2.2
189.09233	1.4
191.02010	3.1
205.12297	1.9
207.05083	1.3
209.03029	6.8
223.09793	13.5
223.13301	1.2
231.05183	1.0
249.06226	12.0
267.07239	71.4
268.07715	1.6
330.50510	0.9
341.16028	1.2
355.06418	1.2
355.13901	5.8
385.15533	2.0
455.19141	1.0
457.16849	2.2
499.18320	3.2
517.19312	100.0
518.19489	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	517.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26640	1.1
52.48952	1.3
57.03450	10.4
59.01388	34.9
68.99818	2.9
69.48901	8.1
71.01019	1.8
71.01395	25.6
72.99314	7.0
73.02947	3.0
75.00885	12.7
81.67863	1.3
83.01403	2.0
84.02157	1.5
85.02962	79.8
86.03290	1.7
87.00897	11.7
89.02467	8.3
95.01389	4.7
99.00903	9.9
101.02452	2.9
103.00362	4.2
113.02466	34.4
114.02741	1.5
115.00352	1.6
117.01971	1.9
119.05047	2.8
129.01967	8.8
131.03465	1.8
133.01393	1.6
133.02953	1.6
135.04552	2.7
140.44972	1.2
147.02998	8.3
149.04517	1.3
149.64241	1.1
157.01309	1.2
161.02385	2.7
161.09683	4.0
161.13292	2.8
163.04002	2.6
163.11279	1.5
175.02536	2.4
179.10759	5.5
187.11296	2.2
191.01991	24.8
192.36014	1.3
205.12292	2.0
207.05089	1.9
209.01036	2.2
209.03056	44.7
209.08224	4.1
210.03300	1.3
223.09717	4.5
249.06207	18.4
263.06592	1.3
266.44305	1.2
267.07239	67.5
268.07611	2.4
341.16257	1.4
354.10553	3.3
355.06662	6.5
355.10861	4.3
457.17078	4.1
469.10629	1.4
473.20282	2.0
499.18808	2.8
517.19238	100.0
518.19788	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	517.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	4.0
59.01387	32.5
61.98825	2.3
68.99826	1.2
69.03459	1.5
71.01015	1.1
71.01392	20.4
72.99326	4.0
73.02972	3.5
75.00476	1.0
75.00882	14.1
81.03474	0.8
83.01380	1.4
85.02959	23.7
87.00893	9.0
89.02452	5.9
91.04022	0.6
93.03459	0.8
95.01406	4.7
96.96017	1.1
99.00900	7.8
101.02438	2.6
103.00369	1.9
107.66508	0.6
111.00913	1.2
113.02467	30.7
115.00388	2.0
115.92150	0.7
116.92860	2.7
117.01930	1.6
119.04971	0.7
120.88120	0.8
125.02448	1.0
129.01961	2.1
131.03526	0.9
135.04549	1.0
161.09732	2.5
161.13347	2.3
163.11272	1.1
165.09163	0.9
175.02490	2.3
187.11295	2.6
205.06999	0.8
205.12392	3.2
207.05124	1.2
207.10292	1.2
209.08220	5.2
223.13365	2.1
231.05074	1.1
249.06194	15.7
250.06749	0.8
267.07227	66.3
268.07483	2.3
269.04581	2.0
278.43112	0.6
284.34512	0.7
341.16119	1.4
455.19302	1.0
457.17053	2.6
473.20367	0.7
499.18298	2.9
517.19299	100.0
518.19702	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	517.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
57.03452	4.1
58.00585	1.1
59.01386	100.0
60.01728	1.4
61.98838	20.5
64.33347	0.8
65.24631	0.7
67.01893	0.9
68.99808	2.4
69.03460	2.4
69.44988	5.4
70.77889	0.8
71.01390	29.9
72.99319	4.8
73.02949	7.2
75.00877	16.9
83.01405	3.7
83.05033	1.4
85.02462	1.7
85.02958	26.1
87.00883	7.2
89.02454	9.6
91.04019	1.1
93.03446	1.1
95.01409	6.7
96.85050	0.7
96.96024	3.0
97.02950	1.2
99.00888	8.0
99.04503	1.6
101.02446	8.7
103.00370	2.2
111.00867	1.0
111.04546	1.1
113.02461	31.6
115.00360	1.5
116.92874	1.6
117.01950	2.1
118.35434	0.9
119.03492	1.9
119.05042	1.5
121.02966	1.0
125.06129	0.7
129.01939	1.9
130.99805	0.8
131.03497	1.4
134.03755	1.1
135.04558	1.0
143.03456	1.0
157.01370	1.5
161.04584	3.0
161.13350	0.8
163.03979	1.1
165.01924	2.0
170.02203	0.9
175.02498	2.4
179.03613	0.9
187.11278	1.1
189.09207	1.3
205.07195	1.7
205.12366	5.6
207.10242	1.6
223.13443	6.9
231.05106	2.1
233.08148	1.2
249.06169	37.0
267.07242	25.1
267.12167	1.8
268.07385	1.3
269.04480	5.4
285.61157	0.8
309.08316	13.7
310.08621	1.1
341.16046	1.0
355.11728	1.7
355.24710	1.3
365.35455	0.8
382.85294	0.9
455.19318	6.1
473.20261	10.8
474.20517	1.2
499.18301	7.5
517.19275	65.3
517.30713	5.8
518.19360	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	517.1565
Annotation	6'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
51.76306	0.8
55.01880	1.6
57.03459	5.5
59.01109	1.4
59.01387	14.1
65.27659	0.7
67.01895	1.9
68.99809	2.7
69.03462	1.4
71.01396	17.2
71.53642	0.9
72.99323	7.5
73.02966	1.6
73.85873	0.6
75.00471	1.6
75.00882	18.6
75.01310	1.0
81.03465	1.2
83.01408	2.4
84.02188	1.3
85.02959	48.9
87.00411	1.1
87.00892	7.3
89.02457	4.2
89.22677	0.6
93.03480	1.9
95.01397	5.5
96.96019	2.7
99.00890	10.6
99.21776	0.7
100.78082	0.8
101.02409	0.9
103.00381	2.2
109.02965	1.6
111.00893	1.6
113.02460	22.7
115.00382	2.1
117.01939	3.8
119.05014	2.5
125.01651	0.8
125.02465	3.1
129.01970	4.5
132.02182	1.0
133.02904	1.5
134.03758	76.4
135.04459	2.8
136.01698	2.7
137.02486	3.2
139.03989	0.7
147.03024	3.8
147.04523	2.0
149.06102	39.9
150.06485	1.3
151.00438	1.2
153.02032	1.0
153.05614	1.2
157.01442	1.7
160.01674	1.4
161.02423	2.4
163.00386	1.2
163.03976	1.4
165.01950	1.3
175.02486	3.8
175.04050	2.6
177.01985	1.4
179.03584	1.6
181.54317	0.7
183.02936	1.2
191.01990	9.6
192.04269	3.9
193.01442	1.1
193.05058	5.6
208.07491	1.1
209.03043	10.2
231.05109	3.6
231.22972	0.8
249.06177	38.7
253.07254	3.1
256.61169	0.8
267.08768	29.0
268.09198	1.8
301.03506	2.3
327.10922	1.8
355.06757	3.4
381.11908	3.3
425.10645	2.3
443.11880	1.7
457.13693	1.9
481.09781	1.7
499.14777	5.8
517.15686	100.0
518.16010	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	517.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.0
56.13237	0.7
57.03459	8.5
58.71214	0.7
59.01107	1.1
59.01385	13.6
64.32749	0.6
68.99812	0.8
69.51268	5.0
71.01011	1.0
71.01392	12.3
72.99307	2.2
73.02946	2.6
75.00878	1.9
83.01389	1.4
84.02162	1.7
85.02959	76.0
86.03297	1.3
87.00875	2.5
89.02467	3.8
90.35964	0.7
90.73804	0.7
93.52153	0.7
96.96029	7.0
101.02456	2.1
103.00351	1.0
113.02455	2.0
115.00400	0.9
125.02454	0.7
129.01950	4.2
133.01437	5.8
147.03006	5.2
157.66223	0.7
187.07675	1.3
191.01996	22.4
202.06329	0.9
209.03046	100.0
210.03406	2.0
267.07257	1.7
268.25906	0.7
277.07144	1.1
317.61279	0.8
420.07880	0.9
499.14978	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1569
Annotation	6'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
51.66002	0.8
53.35483	0.8
55.01862	2.3
57.03459	5.7
59.01387	15.8
63.15391	0.9
67.01894	1.1
68.99827	2.2
69.03468	1.7
69.41736	2.8
69.42151	3.9
71.01014	1.4
71.01392	18.6
71.47942	1.0
72.99322	5.6
73.02947	2.4
74.97559	0.8
75.00882	14.8
79.35252	1.0
82.82381	1.0
83.01386	2.3
84.02191	1.3
85.02962	62.9
87.00880	5.6
89.02442	3.8
93.03460	1.4
95.01385	4.5
95.36167	1.0
96.95453	1.5
96.96027	13.3
99.00901	9.9
103.00389	2.7
109.02959	1.2
111.00864	3.2
113.02457	17.4
115.00374	1.8
117.01972	2.2
119.05029	2.2
119.93932	1.0
127.97906	0.9
129.01952	7.5
134.03757	73.1
135.04468	3.9
137.02382	1.2
145.02992	1.5
147.03008	4.9
149.06094	37.4
150.06416	1.5
153.30307	1.0
155.44804	1.1
160.01697	2.1
163.03984	3.1
175.02548	2.1
175.03999	2.2
178.02679	6.1
179.03485	2.9
179.48486	0.9
191.01993	17.0
193.03369	2.2
193.05064	29.1
207.37506	0.9
209.03027	14.8
225.07686	1.2
231.05135	1.9
249.06171	41.0
250.06493	2.1
253.07182	2.4
267.08865	18.2
268.09082	1.1
327.11081	1.3
337.05847	1.0
355.06830	5.9
381.11990	2.3
443.12482	1.4
487.41751	1.1
499.14566	3.0
517.15704	100.0
518.16034	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	517.1417
Annotation	Scytonine
Peak:m/z	Relative Intensity
55.01886	1.2
57.03444	3.4
59.01386	33.9
60.35399	0.8
64.48714	0.8
67.01891	1.6
68.99819	1.1
69.03455	2.6
70.34111	2.6
71.01013	1.5
71.01392	28.7
72.01713	0.7
72.99316	20.8
73.02952	23.1
75.00882	5.1
78.95926	4.5
83.01395	3.3
85.02962	34.5
87.00890	12.0
89.02451	15.3
95.01416	8.0
96.96021	12.9
99.00880	7.8
101.02454	18.6
103.00383	0.9
103.04020	1.6
113.02458	58.4
115.00359	5.0
117.01912	1.8
119.03500	7.8
125.02454	1.7
129.01935	9.0
131.03510	23.5
136.94017	0.7
139.00351	0.9
143.03470	2.0
157.01431	10.2
161.04552	2.8
161.05743	0.7
175.02493	46.6
176.02686	0.9
179.05592	8.4
232.55679	0.9
240.87387	0.7
293.08752	4.2
329.88705	0.7
337.07764	2.3
341.10944	1.5
376.83289	1.3
456.79572	9.2
457.12408	1.1
457.79837	1.9
499.12961	2.3
517.14136	100.0
518.14337	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	517.1561
Annotation	4'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
57.01728	0.9
57.03444	4.0
59.01393	5.9
63.34467	1.1
66.95437	1.0
71.01389	2.4
71.54340	1.5
72.99316	1.8
73.02962	1.0
74.09290	1.1
75.00853	1.4
79.47722	1.3
85.02960	34.5
87.00903	2.0
96.96010	3.3
98.39425	1.1
99.00883	1.3
103.88319	1.0
109.02929	1.5
113.02447	2.5
115.00359	1.1
119.05028	3.2
121.02933	1.4
122.17256	1.3
125.02454	3.5
128.03539	1.1
129.01933	3.7
133.02905	1.1
134.02736	2.2
134.03755	42.2
135.04430	1.9
137.02475	5.7
139.03995	1.8
147.03014	6.1
149.06090	14.2
150.03177	1.1
151.03897	1.2
160.01680	1.4
161.02481	1.7
163.04001	2.3
173.00792	1.1
175.03949	3.0
176.04758	1.4
178.02745	23.2
179.03336	2.2
181.05074	1.2
191.01993	12.5
193.05070	100.0
194.05423	4.2
209.03033	6.3
249.06160	3.7
255.10283	2.2
267.07083	1.9
355.10373	10.5
517.15552	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	517.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.9
56.44314	0.8
57.03457	12.1
59.01113	1.1
59.01388	12.1
71.01400	8.5
72.99282	1.6
73.02995	1.0
75.00880	3.3
82.02990	0.9
83.01395	1.5
83.77010	0.7
84.02184	2.2
85.02960	100.0
86.03287	1.9
87.00880	1.7
89.02464	3.9
96.96011	2.1
101.02435	1.6
103.00424	2.0
111.00845	0.9
113.02445	2.6
115.00387	0.8
117.03462	0.8
119.05089	4.0
129.01953	10.0
131.26854	0.7
133.01451	2.9
133.02946	1.0
135.04539	2.0
147.03011	13.2
148.03265	0.7
160.36526	0.8
161.02466	2.9
161.06013	0.8
163.03990	6.1
165.04044	2.4
165.09276	1.4
173.00890	1.0
175.04105	1.1
176.99762	0.9
191.02000	41.2
192.02304	0.8
209.03046	74.6
209.08185	5.2
210.03465	1.2
227.12086	0.8
242.10402	0.9
249.06190	1.1
267.07199	3.1
283.06039	2.1
311.05551	3.7
319.12811	1.0
323.05563	1.0
337.05615	1.3
355.06747	16.0
355.13913	1.7
371.06314	1.5
371.13544	0.9
413.08859	1.0
456.06769	0.7
473.10928	1.5
481.18167	1.2
485.18048	1.0
517.10852	0.7
517.19141	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	517.0044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35362	0.6
59.01385	68.0
61.98827	1.1
70.90445	0.8
70.90788	1.1
72.99291	0.9
74.89072	0.6
79.75045	0.5
90.97122	1.5
92.61650	0.6
110.71499	0.8
118.96651	1.1
132.98219	2.4
157.03593	1.0
159.01480	0.7
174.99261	26.8
175.99597	0.8
201.02559	10.7
202.02559	0.6
217.00313	100.0
218.00697	2.7
250.95134	0.9
253.98830	0.6
258.95444	0.6
292.96207	1.6
334.97202	1.2
343.03784	1.4
359.01468	12.5
360.01547	1.0
374.99237	55.2
375.99799	2.1
401.45663	0.6
516.96069	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
57.03458	12.2
59.01385	17.5
61.98833	1.4
71.01399	9.8
71.54748	1.4
72.99295	2.1
74.02464	2.9
75.00874	2.1
75.67672	1.2
79.01906	1.9
83.01373	1.6
84.02152	2.5
85.02962	100.0
87.00876	2.7
89.02447	3.8
93.03461	3.5
96.96039	7.9
99.00939	1.3
101.02460	2.2
104.03496	1.2
104.69720	1.3
113.02474	2.7
117.03462	7.9
119.05011	5.5
125.02472	2.3
129.01985	10.2
133.01459	2.4
134.03770	3.3
135.04541	8.3
135.73669	1.1
137.02431	1.5
147.03015	14.8
149.06032	2.7
150.03233	2.4
151.04054	1.4
153.03937	1.2
161.02467	3.6
163.04039	7.5
165.00195	1.5
165.05518	2.0
169.21448	1.4
175.03978	3.3
176.01068	3.7
177.05579	2.2
179.03468	2.1
191.02002	39.5
208.99168	17.6
209.03043	38.2
227.07150	3.0
233.80084	1.2
249.06082	1.9
251.07306	1.6
253.08678	1.9
267.06906	2.6
276.08865	1.3
281.08310	1.9
282.05301	4.0
283.06052	2.0
295.06137	3.0
297.07706	55.9
298.07993	3.0
304.25421	1.5
325.07202	62.7
326.07794	3.0
352.10800	1.8
353.06671	16.0
355.06787	17.4
397.05118	2.0
445.11670	8.4
471.09583	1.6
473.10757	7.5
481.27185	1.3
499.08789	2.1
517.09833	45.6
517.17432	2.4
517.21716	2.9
518.10016	3.4
518.17004	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	517.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.5
61.03016	1.8
66.78254	2.3
69.53778	5.3
69.54189	6.7
79.01910	2.8
85.02981	5.9
105.52250	2.0
117.03497	14.5
121.03020	2.9
149.02466	2.0
158.68486	2.3
159.04477	2.7
161.02486	6.8
163.04013	5.6
177.02107	2.3
191.03522	2.3
209.03134	3.1
221.55807	2.1
228.79030	2.1
239.07123	2.1
268.03735	3.8
269.04498	4.5
281.04547	12.4
283.06140	49.8
284.06372	4.8
293.04617	3.5
295.06155	5.2
307.59814	2.4
311.05643	100.0
312.06021	6.6
323.05692	8.3
341.06628	16.8
354.13596	2.2
413.08835	23.3
441.38492	2.3
473.10941	56.9
474.11258	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	515.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76010	0.1
55.01872	0.2
57.03454	0.1
58.00619	0.3
59.01387	5.0
70.58902	0.3
71.01389	4.1
72.99300	0.3
73.02957	0.8
75.00867	0.1
83.01403	0.4
83.05012	0.1
85.02962	1.1
87.00890	0.5
89.02454	3.5
91.04000	0.2
95.01416	0.2
97.03001	0.1
99.00893	0.2
101.02451	3.9
105.35528	0.1
106.08332	0.1
113.02466	2.0
113.03191	0.2
115.04018	0.2
119.03510	0.8
120.06290	0.1
125.02445	0.2
131.03555	0.1
133.05086	0.4
139.11366	0.2
140.66109	0.1
143.03516	0.2
144.33055	0.1
157.05066	0.2
161.04591	1.5
179.05632	0.4
179.96994	0.1
201.11325	0.6
204.55457	0.1
213.92857	0.1
235.08221	0.7
246.34985	0.1
253.09311	13.7
254.09602	0.4
261.22360	0.2
279.23309	100.0
280.23654	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	515.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40382	0.5
58.03051	0.4
70.47723	1.0
70.48125	1.0
80.68000	0.5
98.25529	0.6
106.04235	0.7
107.05026	0.9
162.10597	0.6
163.11310	33.8
164.11633	1.4
175.11324	1.5
176.12096	1.3
177.12868	4.1
190.09998	1.1
195.47432	0.5
207.10384	0.5
208.11087	3.5
225.00850	0.7
238.85405	0.5
281.15479	1.7
282.16226	4.4
283.17038	5.6
287.78934	0.5
293.15591	1.8
294.16150	0.6
295.16971	1.0
339.23303	100.0
340.23682	8.6
351.23325	6.9
352.23627	0.8
500.49780	0.6
515.35352	75.3
516.35718	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	516.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	11.7
59.62319	0.9
61.98829	9.4
65.99860	10.3
69.25246	8.9
71.01369	4.8
72.99337	1.3
75.00873	1.9
76.08368	1.0
79.86781	1.0
82.02992	37.3
83.01379	5.5
85.02956	7.8
86.08336	0.9
88.98805	2.4
89.02439	2.6
94.02994	20.7
94.03567	0.8
94.47995	1.0
96.96033	2.8
97.01707	2.1
98.19863	2.3
99.00849	1.6
101.02441	1.9
113.02451	2.9
120.08167	1.2
128.03525	1.0
134.03775	1.5
135.04590	1.6
136.04060	5.2
138.05588	6.1
145.06227	1.7
152.03584	1.6
164.03542	5.3
172.07700	4.0
174.09233	1.8
179.10727	2.7
191.05637	2.6
194.04597	19.6
195.62569	1.2
196.07599	1.4
199.08797	6.5
209.03006	1.1
223.09700	2.0
224.07272	1.5
225.06567	1.2
226.07558	2.0
227.08145	2.3
238.08702	2.2
240.09077	4.7
241.09856	8.7
249.06155	1.3
253.06389	1.9
255.07793	1.8
255.11351	4.6
256.12192	1.7
257.13022	3.1
266.08151	1.5
267.07147	2.8
268.08554	14.1
269.09235	2.8
282.10114	5.2
283.10880	39.0
284.11676	42.9
285.08789	1.7
285.12070	2.3
301.11923	1.4
309.08862	5.8
310.09634	8.0
311.05750	2.5
315.13519	20.2
316.13568	1.7
321.12238	1.1
327.09888	19.2
328.10635	36.2
329.10904	3.2
355.18848	2.4
359.12521	40.8
360.12772	3.5
380.16092	2.7
422.17383	1.6
423.15799	2.0
424.15225	23.0
425.15317	2.5
440.18079	3.6
456.17715	5.1
457.17590	1.1
466.16223	19.4
467.16010	2.2
473.10693	2.1
484.17270	100.0
485.17465	9.5
498.18695	1.6
516.19745	6.4
517.19238	5.1
534.89673	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3008
Annotation	Probucol
Peak:m/z	Relative Intensity
50.74640	5.2
57.03444	5.5
59.01119	6.7
59.01392	100.0
61.98839	24.6
62.46064	4.5
70.58949	6.8
70.59272	9.4
71.01389	24.2
73.02962	9.1
75.00906	5.6
83.01432	6.3
83.05020	5.7
85.02965	18.7
89.02458	9.6
96.96045	10.5
99.04515	8.2
101.02433	20.3
113.02444	17.1
119.03471	7.4
125.02378	6.0
127.04070	6.3
135.02997	12.0
137.06056	5.1
139.07657	5.8
146.41678	4.6
147.04492	5.3
152.48389	4.9
161.04552	10.0
177.01991	5.4
186.03262	5.6
206.11801	17.6
240.33049	5.7
251.03008	5.5
271.06430	5.2
343.11905	16.4
353.23425	15.0
471.33267	14.9
479.32327	21.4
497.26938	7.2
515.19135	17.7
515.29407	93.3
516.30048	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	515.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74640	5.2
57.03444	5.5
59.01119	6.7
59.01392	100.0
61.98839	24.6
62.46064	4.5
70.58949	6.8
70.59272	9.4
71.01389	24.2
73.02962	9.1
75.00906	5.6
83.01432	6.3
83.05020	5.7
85.02965	18.7
89.02458	9.6
96.96045	10.5
99.04515	8.2
101.02433	20.3
113.02444	17.1
119.03471	7.4
125.02378	6.0
127.04070	6.3
135.02997	12.0
137.06056	5.1
139.07657	5.8
146.41678	4.6
147.04492	5.3
152.48389	4.9
161.04552	10.0
177.01991	5.4
186.03262	5.6
206.11801	17.6
240.33049	5.7
251.03008	5.5
271.06430	5.2
343.11905	16.4
353.23425	15.0
471.33267	14.9
479.32327	21.4
497.26938	7.2
515.19135	17.7
515.29407	93.3
516.30048	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	515.126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57360	2.2
59.01388	51.9
62.20999	2.0
64.28194	2.0
71.01387	47.9
72.99327	2.6
78.95906	6.1
85.02942	14.7
87.00853	4.7
89.02459	49.4
91.21188	2.1
95.01411	3.3
96.96016	9.2
96.96950	11.1
101.02444	18.3
112.98820	2.8
113.02452	16.3
119.03519	17.7
129.01920	4.9
131.03435	2.9
134.76004	2.2
142.99924	14.9
143.03514	4.0
161.04607	5.2
172.89928	7.6
173.00923	6.9
173.04543	4.6
176.00699	2.4
179.05602	26.4
184.77100	2.2
191.01952	3.3
209.02856	2.4
341.10910	100.0
342.11404	2.4
515.15326	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36919	0.5
56.65411	0.5
57.03448	2.7
59.01384	13.4
61.98843	8.4
65.03961	0.7
71.01377	4.7
71.55028	0.8
72.99311	1.1
73.02931	1.5
78.95923	1.2
81.03490	3.1
82.95421	0.9
83.01410	1.5
85.02952	2.5
87.00864	0.7
89.02452	3.4
93.03468	38.5
94.03761	1.0
96.96011	11.3
96.96976	2.3
99.00897	1.3
101.02454	2.7
113.02438	2.8
123.08185	1.6
125.02457	5.6
125.06100	4.6
137.02455	72.8
138.02792	1.9
147.08177	1.2
149.02478	0.6
151.00467	1.0
157.06117	0.6
161.04568	0.8
165.07816	1.2
165.09212	20.8
166.09589	0.8
167.03471	0.8
179.05888	0.7
191.01961	0.6
191.07166	1.5
209.08200	100.0
210.08557	5.6
233.08289	0.8
251.09216	1.1
281.04465	0.7
286.10553	0.7
309.08252	2.0
320.09329	0.8
334.05133	0.7
353.10370	2.8
354.17532	1.8
371.13480	12.6
413.14523	3.5
453.18002	0.7
458.95337	0.6
515.17474	7.7
515.27936	3.3
516.18420	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03300	0.1
59.01380	0.9
61.98838	100.0
82.84703	0.2
98.19875	0.4
99.79293	0.1
127.59783	0.2
165.92339	0.1
183.42244	0.2
193.29134	0.2
258.15030	0.1
260.66989	0.1
308.50113	0.2
370.72949	0.2
438.22653	0.2
452.33304	0.3
453.33374	0.4
454.33820	1.3
514.33252	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68362	0.2
57.43166	0.2
59.01368	0.2
59.57435	0.2
71.54139	0.2
71.76631	0.2
73.22444	0.3
79.95742	2.7
82.17845	0.2
85.02962	1.1
88.35649	0.2
96.96023	100.0
97.95941	0.4
104.97379	0.2
108.02193	0.6
109.02993	0.4
114.93394	0.3
129.90320	0.2
136.14841	0.2
152.01181	0.8
153.01915	0.4
157.06154	0.3
177.01923	0.3
191.02074	0.4
220.68161	0.3
226.35892	0.2
341.01706	0.4
368.01486	0.3
417.10541	1.1
455.05273	0.5
515.07013	0.6
522.33276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.3
57.03454	0.3
58.00616	0.2
59.01385	6.4
64.16037	0.1
68.96124	0.1
69.03481	0.1
70.13331	0.4
71.01389	4.9
72.99319	0.2
73.02955	1.0
78.95927	0.2
81.03468	0.1
83.01401	0.6
83.05062	0.2
85.02954	1.3
86.31622	0.1
87.00901	0.6
89.02454	3.9
91.04015	0.3
95.01409	0.4
97.02979	0.2
97.06609	0.1
99.00901	0.4
101.02454	4.5
103.04019	0.2
113.02474	2.0
115.03999	0.1
119.03495	1.0
125.02481	0.2
126.67096	0.1
127.07656	0.2
131.03555	0.2
133.05118	0.3
141.09219	0.1
143.03560	0.4
149.04553	0.2
152.99631	0.3
157.05025	0.1
161.04585	1.6
179.05643	0.5
205.19469	0.1
224.88127	0.1
233.22719	0.4
235.08224	1.1
242.40094	0.1
253.09303	15.4
254.09683	0.5
259.20670	0.4
275.20175	0.4
277.21732	100.0
278.22067	6.7
435.05426	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	0.3
57.03462	0.1
58.00624	0.3
59.01386	6.1
59.98544	0.1
69.03446	0.1
69.22607	0.7
71.01389	4.5
72.99331	0.3
73.02957	1.1
83.01390	0.5
83.05071	0.1
85.02953	1.2
85.03405	0.1
85.95763	0.1
87.00885	0.6
89.02456	3.4
91.04034	0.1
95.01443	0.4
97.02992	0.1
98.20664	0.2
99.00902	0.2
99.04546	0.1
101.02456	4.0
102.02879	0.1
103.04021	0.1
113.02465	2.1
115.04040	0.2
119.03514	0.9
125.02510	0.1
127.07720	0.2
131.03539	0.2
132.17564	0.1
133.05116	0.4
143.03532	0.4
145.05077	0.1
157.05135	0.1
161.04559	1.6
179.05614	0.6
182.20343	0.1
205.19633	0.1
233.22839	0.3
235.08249	1.0
253.09311	14.8
254.09668	0.4
259.20609	0.4
275.20175	0.4
277.21744	100.0
278.22076	6.6
388.38135	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96998	2.1
59.01368	6.6
65.00321	5.8
72.99326	4.0
75.00877	35.7
78.95898	2.2
88.98804	9.4
89.02451	7.3
93.03482	3.8
98.19860	4.2
117.01945	2.3
119.04168	5.2
119.05042	100.0
121.02129	2.1
133.06610	8.8
135.03017	65.1
143.05067	3.0
145.03008	2.9
157.06607	3.0
183.13901	6.2
184.14209	3.3
185.06200	3.6
187.04033	9.8
201.05647	3.3
203.07227	2.9
209.11823	2.5
210.12132	2.5
219.06665	3.3
229.04997	10.8
231.06636	7.4
243.06442	2.7
245.04529	6.1
247.06096	9.3
257.04642	16.6
258.05313	25.2
259.06049	4.9
261.07635	4.4
271.06137	5.5
273.07544	3.1
282.05322	2.3
349.10635	3.0
365.10303	29.2
367.11816	21.0
377.10358	97.8
378.10971	10.7
379.11865	4.1
391.11856	2.9
393.09793	6.0
395.11374	21.2
421.12851	4.9
423.10852	7.9
435.35895	2.4
451.14050	4.5
469.14795	4.9
492.45673	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	512.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54860	0.8
59.01159	0.9
59.01392	10.1
60.67641	1.1
60.87758	0.9
61.98846	4.5
69.61946	3.4
71.01384	4.0
73.02966	1.5
74.98433	0.9
82.95435	1.7
83.01403	1.1
85.02964	4.0
87.00919	1.2
89.02460	1.5
95.01412	2.8
96.96032	1.9
98.19984	1.1
101.02453	2.0
110.06130	2.0
113.02454	2.7
113.99611	1.3
122.06139	4.3
125.02454	1.4
135.04576	1.2
139.00349	1.3
143.03569	1.1
144.04568	4.2
149.63045	0.9
160.04025	1.8
161.04877	1.3
172.04047	2.6
174.05678	1.1
191.02158	1.1
204.06705	5.2
205.03952	1.0
212.05905	3.8
219.14095	1.3
225.06705	1.7
237.10399	4.7
239.08360	4.4
240.09056	1.6
242.33994	0.9
249.11008	1.0
251.11935	2.0
252.12680	4.0
253.06285	5.2
253.09782	4.2
254.10481	1.0
255.11281	2.0
263.06155	0.9
267.07712	7.9
267.11447	3.0
268.08524	3.9
268.12234	3.6
269.12854	1.4
280.08591	2.9
281.09378	13.3
285.08969	2.4
293.08868	0.9
295.10959	7.3
296.11661	14.9
297.12106	1.1
298.09769	1.7
299.10361	2.7
300.11041	1.8
311.10410	1.8
313.11960	1.9
327.13580	1.3
328.10861	4.8
328.14178	1.8
329.11249	1.2
340.10672	1.1
374.18719	1.0
406.17786	2.5
418.17880	8.1
436.18970	4.8
449.09818	1.4
462.16739	2.1
480.17834	11.5
494.19220	3.3
512.20435	100.0
513.20544	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	511.412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24305	0.6
58.02982	30.0
66.92063	0.6
70.02985	25.8
70.60195	1.9
73.02954	4.0
76.20885	0.8
78.95912	2.1
85.02959	10.4
87.05652	4.4
94.28938	0.6
102.05621	44.0
111.05650	7.3
113.57189	0.7
129.06718	19.9
144.27821	0.6
147.07411	0.7
152.99599	4.2
156.06676	17.7
166.29041	0.7
173.09314	5.7
215.10352	7.4
232.30643	0.6
283.26480	16.0
284.26788	1.0
372.34052	0.8
407.36176	0.8
465.58289	0.7
493.40253	2.2
504.96912	0.7
511.30453	6.9
511.41193	100.0
512.30829	0.7
512.33282	0.8
512.41516	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	512.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	6.1
61.98837	13.4
69.47068	1.7
69.47478	2.9
71.01394	2.4
75.91273	0.6
79.95732	0.7
85.02984	5.8
93.21445	0.7
96.96013	1.9
101.02435	0.8
110.06125	2.3
113.02414	1.3
121.05354	1.1
122.06109	4.1
125.02423	1.0
135.04515	1.0
144.03554	0.8
144.04520	4.5
145.05379	0.8
151.00415	1.8
160.04082	0.9
161.04781	1.9
162.05606	1.0
171.90309	0.6
172.04062	2.8
174.05658	1.3
175.06340	0.8
176.07126	0.7
177.85689	0.8
178.35588	0.7
188.03465	1.0
191.02087	1.2
203.05888	2.6
204.06686	7.2
205.03714	0.8
209.03052	3.7
212.05914	4.5
225.06667	1.2
225.10210	0.7
227.11948	1.4
237.10316	5.0
238.10924	1.0
238.83139	0.7
239.08299	3.5
240.09030	1.8
241.09789	1.3
251.11884	3.2
252.12634	5.0
253.06177	4.9
253.09898	5.5
254.06813	0.8
254.10606	1.1
255.11383	2.1
266.06924	1.5
267.07712	6.2
267.10953	1.4
268.08521	4.4
268.12051	3.3
269.12851	1.4
279.07755	1.2
279.11392	0.9
280.08557	2.2
281.09332	11.5
282.09882	1.5
285.04004	1.1
285.08652	1.6
287.05365	2.3
295.10876	7.1
296.11655	16.9
297.12302	1.6
299.10526	3.4
300.11111	1.9
311.10272	2.9
312.10959	0.7
313.12009	2.7
325.11960	1.3
328.10626	5.0
328.14172	1.6
329.11554	0.8
340.10654	1.3
343.13120	1.3
350.12753	0.8
360.13351	1.0
372.13446	0.7
374.18881	1.3
406.17664	1.6
418.17844	7.6
419.17935	1.2
433.24557	1.0
436.18799	8.5
437.19400	1.4
444.15549	1.0
449.10654	2.0
450.20377	1.3
462.16660	2.6
468.21204	1.1
480.17822	14.0
481.18329	1.1
494.12094	0.8
494.19373	3.0
512.20386	100.0
513.20728	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	511.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56990	0.6
59.01377	1.6
62.17378	0.6
63.20824	0.5
69.52027	3.3
71.01415	0.8
78.95901	1.0
80.02674	1.0
81.03458	1.8
81.05219	0.6
83.01401	0.7
83.05039	6.6
84.02181	0.9
93.03462	1.3
95.05076	1.4
97.06588	1.4
98.20628	1.2
109.06606	1.0
111.08152	0.6
123.08183	1.4
125.06107	0.7
125.09749	3.0
126.21491	0.6
135.08186	1.7
149.02437	0.6
149.09714	0.6
157.94006	0.6
163.11333	4.4
165.12843	2.4
171.10289	32.8
172.10713	0.7
181.12383	0.7
185.11858	2.5
191.10840	0.8
203.14381	0.9
207.10324	0.8
209.11842	100.0
210.12248	4.2
221.11887	2.2
223.13383	1.9
227.12901	10.5
229.12250	0.8
247.13409	11.2
249.15065	0.7
265.14581	3.3
321.17010	0.8
357.20685	1.3
373.23868	0.7
375.21851	1.9
375.25613	1.9
401.23199	1.1
419.24313	1.8
437.25525	1.4
449.25616	3.9
475.02618	0.8
475.26999	4.1
476.27780	0.9
493.28046	2.2
511.29218	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	511.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.6
59.01403	0.4
70.34570	1.5
75.98164	0.5
81.03494	0.5
83.05036	0.6
97.06567	0.6
111.08167	1.9
119.04967	0.5
133.80002	0.5
135.35796	0.4
141.05592	0.9
165.12857	22.1
166.13168	0.7
183.13919	100.0
184.14220	3.2
187.03972	0.4
201.05595	0.6
209.11844	4.4
227.12898	17.1
228.13402	0.6
283.15546	0.8
299.12912	1.2
301.13123	0.6
301.16589	11.7
301.19846	0.9
331.26468	0.6
339.12454	1.1
350.13126	0.5
358.43384	0.4
404.81610	0.5
449.28958	1.1
453.19226	2.3
467.29956	1.6
493.28058	1.5
511.29150	30.9
512.29468	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	511.24
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40877	2.3
55.01873	7.3
57.03452	4.2
58.06486	2.2
59.01386	76.9
61.98829	20.6
71.01391	76.2
71.55279	2.9
72.99306	3.4
73.02959	24.5
83.01392	10.8
85.02961	43.9
87.00895	5.4
89.02451	22.7
95.01417	5.7
96.96014	3.6
97.02946	3.0
99.00911	13.1
101.02454	58.1
112.44653	2.3
113.02444	28.2
119.03481	7.5
119.05034	2.7
121.02993	3.1
125.02488	4.5
131.03539	3.5
135.04469	2.5
136.67174	2.4
141.01843	2.7
143.03516	4.9
149.04530	2.6
159.02997	2.4
161.04567	30.6
173.06131	2.4
179.05640	4.2
223.13518	2.5
242.02158	3.1
273.07706	5.3
285.03775	2.7
289.10583	4.7
289.16577	25.6
294.17087	2.7
297.00552	11.8
298.01178	5.2
312.02783	2.9
313.03583	47.6
314.03870	3.6
323.09952	3.3
328.05109	3.0
329.14944	3.2
448.09656	5.4
451.21899	100.0
452.22086	8.0
475.08722	6.6
511.30511	6.2
512.20764	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
59.01366	1.1
61.98800	0.7
71.01391	0.7
71.54166	0.9
78.95908	3.5
80.02692	1.9
81.03463	1.7
83.05037	6.6
84.02158	0.8
93.03474	1.0
95.04994	0.7
97.06574	0.9
109.06608	1.2
123.08185	0.9
124.21169	0.6
125.09699	2.8
135.08119	1.3
135.99638	0.5
149.09697	1.3
151.07660	1.3
151.16638	0.5
161.29016	0.5
163.11314	4.7
165.12837	2.5
171.00642	2.3
171.10289	24.1
172.10603	1.4
181.12321	0.6
183.14137	0.6
184.72743	0.6
185.11845	2.3
191.10709	1.4
191.18175	0.6
199.57034	0.6
209.11844	100.0
210.12198	5.3
221.11958	1.3
223.13368	1.0
227.12914	10.9
247.13411	7.6
248.13892	0.8
255.10956	0.6
265.14423	1.7
321.17117	1.2
331.22726	1.1
353.14020	0.9
375.21576	1.2
401.23581	0.8
419.24277	0.8
448.09573	1.0
449.25528	2.1
457.26236	0.6
475.27057	3.3
493.28198	1.6
511.28964	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	511.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43998	1.4
51.50195	1.4
59.01388	16.8
60.99308	13.3
61.98833	6.2
64.17175	1.3
71.01389	6.0
73.02940	3.3
85.02941	4.7
87.00893	2.0
88.00407	3.9
88.98816	100.0
89.02457	30.2
96.96040	1.8
101.02451	4.6
113.02489	2.5
115.19326	1.5
119.03513	2.2
125.02495	1.7
131.03355	1.6
143.10782	11.5
167.00513	1.5
229.24715	2.0
277.77298	1.7
307.10135	1.8
394.40247	1.7
396.19284	3.5
511.24084	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	511.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07050	2.1
57.03445	4.1
57.10836	2.0
59.01389	46.8
61.98838	38.1
69.65623	14.0
71.01389	47.3
72.99293	2.8
73.02946	14.5
75.00885	8.5
75.22577	2.0
83.01395	7.0
85.02962	21.2
87.00874	2.6
89.02454	20.5
93.03468	2.3
95.01395	4.7
96.96032	6.6
97.02957	4.6
98.20655	3.7
99.00912	9.2
99.04507	3.2
101.02454	30.8
106.56187	2.6
106.61983	2.0
111.86969	2.4
113.02490	14.4
117.03427	4.5
119.03474	4.4
125.02460	13.8
129.01961	2.9
130.33559	2.5
131.03474	3.5
133.02985	4.1
149.04541	8.8
151.00401	2.5
161.04593	13.8
165.01917	2.5
167.03511	2.5
179.05524	2.5
191.01926	4.2
258.12039	3.2
269.04623	4.0
284.03339	8.4
285.03830	27.8
286.01599	2.8
286.04465	32.4
287.04904	3.1
319.17847	12.0
327.04947	3.1
328.05444	12.5
448.09698	54.0
449.10324	7.3
451.21881	100.0
452.22214	7.6
511.18848	3.3
511.31555	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	510.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42715	0.3
59.01384	0.6
61.98837	100.0
69.19666	0.2
69.77562	0.7
69.77972	0.5
163.04012	0.3
178.67795	0.2
181.20300	0.2
284.03223	0.5
285.04163	0.8
323.74542	0.3
327.05222	1.0
446.06143	0.3
447.09534	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.9
58.00619	1.9
59.01386	12.2
61.98838	100.0
62.98538	1.6
70.45133	3.3
70.45464	3.1
71.01393	5.0
73.02979	2.0
73.26566	1.6
85.02986	2.4
88.38220	1.5
89.02425	2.2
101.02465	1.7
113.07496	1.6
119.03520	1.6
122.77522	1.8
151.07658	3.3
167.10794	6.4
179.07167	2.6
182.25572	1.6
186.66650	1.6
328.05203	2.7
343.08041	3.8
430.18250	3.0
511.18869	4.7
511.32809	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	511.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44056	1.5
59.01162	1.4
59.01387	15.3
60.99317	14.9
61.98840	21.8
65.13837	1.4
69.42638	8.9
69.43050	3.5
71.01380	5.8
73.02971	2.4
83.01398	1.6
85.02940	5.6
87.00888	1.8
88.00425	2.1
88.98818	100.0
89.02457	28.0
90.08315	1.6
96.96091	1.5
98.19906	2.7
101.02452	4.8
113.02440	2.8
119.03484	2.0
125.02405	2.1
137.88077	1.4
143.10771	5.7
145.35780	1.8
153.51971	1.4
238.44550	1.6
396.19360	2.2
511.25055	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	510.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	2.2
60.99313	0.7
61.98837	100.0
71.01384	1.1
73.02958	0.8
75.00872	0.6
75.87279	0.3
82.91032	0.3
85.02985	0.7
87.00902	1.1
88.00421	1.8
88.04079	0.3
88.98813	4.1
89.02464	1.5
98.19784	0.6
101.02439	0.6
108.93685	0.3
109.45068	0.3
113.02496	0.6
133.02968	0.4
148.55350	0.3
182.21606	0.3
201.35548	0.3
240.04564	0.4
255.16664	0.3
285.04218	0.4
300.39697	0.4
327.05341	1.2
447.09540	1.4
458.05356	0.4
478.16214	0.6
510.21579	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.4
61.98840	100.0
70.44373	0.8
71.01402	0.6
73.02959	0.3
78.95924	0.5
80.96502	1.2
83.01447	0.3
85.02966	0.6
89.02467	0.5
94.98128	0.3
96.96064	0.4
101.76037	0.2
113.02444	0.3
115.96180	0.2
119.03539	0.2
125.02483	0.4
132.23082	0.3
133.03021	0.4
136.64865	0.2
139.07491	0.2
140.96443	0.2
149.02507	0.2
191.02023	0.3
245.11662	0.3
284.03418	0.7
285.04211	1.0
297.04065	0.5
298.05264	0.4
321.91501	0.2
327.05121	2.8
351.80624	0.3
357.06339	0.8
434.17303	0.3
447.09396	3.8
450.23666	0.3
470.22330	0.2
478.16214	0.4
510.17526	2.4
510.25589	0.4
511.18286	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.289
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
71.30534	0.7
73.54058	0.4
78.95916	19.4
95.25233	0.4
96.96964	1.5
97.31956	0.4
150.98103	0.4
152.99602	28.9
171.00676	1.3
189.89688	0.5
227.03217	4.4
245.04391	0.7
281.24875	100.0
282.25186	5.6
332.45844	0.4
417.24069	0.6
498.78653	0.4
509.28882	52.9
510.29315	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	510.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97216	0.9
61.98848	5.0
61.99136	0.9
62.14248	0.8
71.02200	2.1
77.62366	1.0
89.17173	0.9
91.57957	0.8
95.92641	0.9
100.94619	0.9
109.02979	1.9
110.77661	0.9
112.61052	0.9
118.33382	0.8
118.80859	0.9
120.91501	0.9
121.02942	1.9
133.02951	8.7
141.50089	0.9
149.02400	1.1
161.02365	1.5
163.00356	2.3
163.04021	2.6
165.01955	1.2
175.03987	1.8
177.01880	1.4
191.03529	2.2
193.01393	1.4
201.01962	0.9
211.01372	0.9
213.05547	1.6
227.07118	1.0
269.04733	1.4
284.03296	8.2
285.04028	5.9
297.04068	16.1
298.04819	8.0
299.05603	17.8
311.05704	3.2
327.05106	100.0
328.05466	7.2
339.05020	3.7
357.06195	25.3
358.06235	1.1
369.06058	3.0
393.06183	1.3
447.09341	82.1
448.09598	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	510.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.7
61.98542	0.9
61.98841	9.0
65.30333	0.7
85.75638	0.7
88.84307	0.8
107.01433	1.2
114.88319	0.7
133.02969	1.0
139.50308	0.7
151.00378	2.6
175.04047	1.7
199.04031	1.1
256.03827	2.1
262.51175	0.7
284.03290	46.4
285.04077	94.5
286.04437	5.7
297.04309	1.0
327.05197	2.8
447.09354	100.0
448.09705	9.9
451.32941	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
58.00595	1.3
58.32656	1.2
59.01385	100.0
61.98830	5.3
69.03448	1.1
69.38274	5.9
69.38674	2.8
71.01392	39.0
72.99322	8.0
73.02959	31.1
73.08402	1.1
77.08527	1.1
83.01387	3.2
85.02956	15.1
86.00117	1.7
87.00884	9.9
87.04513	3.4
89.02454	34.1
98.19950	3.0
99.00866	2.4
101.02457	60.9
103.04021	22.7
113.02472	7.1
115.04058	6.4
119.03532	12.2
125.02458	3.8
127.04034	2.7
131.03510	10.1
137.02466	1.7
143.03503	13.5
145.05064	5.7
155.02480	1.2
161.04578	1.8
163.06146	82.0
164.06425	1.8
179.05615	2.7
179.07066	2.2
179.15884	1.5
205.07184	32.3
265.09357	6.5
269.04572	1.5
327.05096	3.0
447.09192	2.6
449.23987	21.8
467.09607	1.2
509.25107	2.3
509.31149	4.8
529.53040	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10378	1.0
55.49548	1.4
57.03453	34.3
59.01389	31.6
61.98814	2.1
66.45251	1.3
71.01385	10.3
71.02890	2.4
73.02937	2.3
75.00870	4.6
82.02990	2.6
83.01375	2.3
85.02984	6.4
89.02441	3.6
93.03478	3.1
99.04533	20.5
100.59365	1.1
101.02446	13.6
108.02163	7.8
113.02445	3.7
119.03517	1.2
123.04511	4.1
125.02436	5.2
137.02435	3.4
141.28494	1.5
145.07729	63.8
146.08070	2.7
152.01151	15.6
153.09201	2.6
161.04585	12.5
167.02188	2.4
167.03517	33.7
170.07243	3.0
176.03903	1.4
188.08308	41.1
192.30550	1.3
212.08369	1.3
214.09875	36.8
215.10013	1.4
220.50804	1.5
226.09789	1.4
228.11487	2.8
238.82037	1.5
244.10962	3.3
249.06033	1.5
256.10904	16.5
268.10919	2.9
279.13385	1.4
286.11932	1.7
304.13040	35.5
311.07779	1.8
322.14108	100.0
323.14484	6.6
327.05203	1.5
347.13623	1.3
347.18768	1.2
347.24124	2.7
364.15298	1.6
365.14597	3.6
447.09552	2.5
449.15997	1.8
449.27319	4.0
466.18353	2.8
509.29977	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	509.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88712	0.8
68.59761	0.8
71.53711	0.9
71.54113	1.5
123.00784	1.0
133.06584	1.3
148.01648	1.7
153.05608	1.3
154.61829	0.8
163.04076	2.1
177.05565	1.3
187.11253	2.2
189.05574	1.4
191.07187	2.1
204.04218	0.9
205.05089	2.1
219.06670	1.2
232.03841	1.0
233.04553	1.8
234.05209	1.3
245.04500	1.0
247.06186	1.2
254.12665	0.9
255.03073	1.0
283.02560	3.6
289.17953	0.9
295.06079	1.1
299.01929	2.7
299.05502	1.6
310.08505	1.5
311.02109	7.6
314.04144	1.1
315.46381	1.1
321.13199	0.8
326.07922	1.9
327.04922	2.1
337.06891	0.9
351.08862	1.1
353.06638	1.2
354.07550	5.2
357.06073	1.9
369.09866	36.1
370.10324	1.9
382.06866	1.4
397.09293	25.7
398.09735	1.7
411.10712	1.7
412.11609	19.3
413.11954	1.3
427.13995	100.0
428.14215	7.5
432.99548	1.1
447.09122	2.4
494.11154	1.6
509.13260	4.6
509.25235	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	509.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.9
59.01382	4.3
61.98845	1.2
65.00320	2.0
69.03469	1.7
71.01370	2.4
71.07915	1.1
71.54402	1.4
81.03476	7.8
83.01399	4.0
85.02957	4.2
87.27237	1.1
89.02431	1.7
93.03517	2.3
95.01404	1.9
95.05072	5.0
96.96030	2.2
97.02960	6.0
99.00889	1.1
99.04514	4.6
101.02482	1.6
107.01434	2.2
109.02960	3.4
111.00861	1.7
113.02415	1.7
121.02986	2.1
123.00912	1.7
123.04543	5.7
124.01687	2.9
125.02466	24.1
135.04547	1.4
136.01611	1.0
137.02463	11.8
138.03201	3.8
139.00389	1.5
139.04002	2.3
149.02443	3.2
150.03203	1.2
151.00388	6.1
151.04088	1.8
152.01173	5.2
153.01985	8.6
155.03488	1.2
161.02440	1.7
163.00386	3.5
163.03903	1.2
164.01154	2.4
165.01941	20.9
166.02734	35.5
167.03513	33.5
175.03992	1.7
176.01169	1.7
176.04825	1.5
177.01997	6.4
178.02710	2.2
178.99815	1.8
179.03470	3.6
190.02750	1.3
191.01901	1.2
191.03487	1.7
193.01440	5.5
193.04938	1.6
194.02209	10.6
197.04514	4.8
198.01752	1.4
205.01424	2.3
207.02937	2.8
221.00957	4.9
222.05324	2.3
224.03313	3.0
235.06247	1.7
261.07687	1.8
263.05658	3.4
285.04187	1.6
303.08716	3.8
311.07275	1.5
319.08203	8.7
327.05350	1.2
328.05878	2.1
329.06216	1.3
343.07764	1.8
345.09882	4.0
346.06689	1.4
347.07648	3.2
361.09323	30.0
362.09668	2.3
371.07751	4.8
373.09589	1.1
389.08823	100.0
390.09158	9.0
391.10373	8.8
401.08841	2.4
419.09851	38.7
420.10080	4.5
431.09845	2.8
449.11090	1.5
491.12109	4.5
493.44275	1.6
509.12839	29.8
510.13223	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	509.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49110	1.6
55.01881	3.2
57.03450	3.8
59.01380	28.3
61.98836	4.2
63.02396	2.5
63.72851	1.4
65.00327	2.9
70.82571	2.0
70.82909	3.0
71.01387	33.8
72.01722	3.8
72.99318	2.1
73.02956	13.4
74.03282	3.7
74.42609	1.5
75.00900	1.5
76.57763	1.7
78.95946	3.1
83.01382	8.8
85.02950	21.0
86.03320	3.3
87.00915	2.8
87.04487	3.7
89.02463	4.0
93.03474	2.3
95.01393	5.8
96.96037	7.3
98.13876	1.5
99.00918	4.5
101.02451	29.4
102.02802	5.4
107.01405	3.7
111.00925	3.8
113.02457	16.4
114.02744	1.5
123.00904	23.5
123.04535	1.5
125.02469	1.6
129.02011	2.0
133.02965	12.4
137.02415	2.8
138.03249	38.9
139.03984	2.5
149.02449	4.6
151.00366	11.1
153.05592	26.8
159.03018	2.5
161.04601	8.3
162.04953	2.9
165.01950	1.6
175.04092	4.3
199.03999	3.9
217.04965	2.4
227.03485	3.4
255.03011	30.0
256.03763	33.2
257.04306	2.3
267.03046	2.4
268.03867	2.2
269.04556	2.6
281.04459	2.7
283.02496	26.7
284.03275	94.2
285.04050	83.6
286.04459	3.6
293.04669	2.1
297.04056	3.7
309.04095	6.2
322.42065	1.9
325.03531	17.6
327.05093	5.7
337.03549	68.6
338.03860	3.1
345.30090	3.7
346.30374	10.2
355.04565	24.4
356.04962	1.8
426.20728	1.7
447.09485	8.1
479.09726	10.9
484.87708	1.6
484.96191	1.7
491.09885	43.6
492.10358	5.0
508.35760	100.0
509.10843	10.6
509.29819	2.4
509.36298	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.1
57.03455	5.1
58.87289	0.6
59.01390	4.5
63.75650	0.5
67.54686	0.5
68.99806	0.6
71.01385	5.7
71.53423	0.5
72.99299	1.3
73.74695	0.5
75.00863	1.0
83.01406	0.9
84.02182	1.7
85.02958	43.9
85.31157	0.5
86.03294	0.7
87.00878	1.4
89.02464	2.9
101.59643	0.6
103.00397	0.9
115.83156	0.5
126.55045	0.6
128.14520	0.5
129.01944	2.2
133.01447	4.1
135.04543	1.6
147.02968	2.8
156.25609	0.5
191.01993	14.9
192.02390	0.7
202.12170	0.5
205.08588	0.6
209.03038	100.0
210.03334	3.7
216.95764	0.5
353.05264	0.7
371.06302	4.4
484.70798	0.6
498.72540	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84476	0.7
52.75710	0.7
54.03386	0.6
56.02052	0.7
68.99836	2.4
69.34154	6.0
73.07870	0.6
79.01912	1.0
83.01405	1.9
88.28069	0.6
91.01910	3.9
110.00134	7.0
111.00874	0.8
119.05042	7.6
123.00903	1.9
124.01686	1.9
133.06625	2.5
135.08136	0.9
137.02448	1.5
137.99617	5.5
149.02425	1.3
149.60786	0.7
151.00386	4.7
152.01138	3.1
156.00600	0.9
157.06500	0.8
163.00385	7.1
163.04033	9.4
164.01044	1.2
165.01936	1.5
175.07716	0.9
177.01981	0.9
177.05638	3.8
178.06422	8.0
178.99858	2.6
179.07106	2.2
188.04837	0.9
189.05630	1.4
190.99890	3.1
191.03542	5.9
191.07126	5.7
192.07956	2.8
205.01453	1.1
205.05109	4.1
206.05829	6.2
207.06636	8.4
215.03476	0.9
216.04245	1.2
217.05197	1.3
219.03172	1.2
219.06633	12.3
220.07471	6.0
221.08107	3.0
229.05089	1.5
230.05695	0.8
233.04500	1.1
234.05356	29.8
235.06134	14.9
241.05139	1.2
247.05972	1.6
248.06923	17.1
249.07094	0.8
258.05499	1.1
261.07739	0.7
283.06262	1.0
283.09860	0.9
286.04755	1.0
298.12112	1.1
311.05646	4.2
326.11569	2.2
327.12338	0.9
336.10095	1.4
354.11118	100.0
355.11505	7.3
423.18167	85.0
424.18460	8.1
439.08847	10.2
440.08957	1.1
508.24524	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	507.354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54021	0.3
52.33961	0.3
55.01885	3.1
57.03456	4.2
58.00617	0.8
59.01388	19.3
61.98847	1.4
69.03461	0.8
69.62624	1.1
69.63045	0.8
71.01390	33.8
72.01723	0.4
72.99320	1.8
73.02955	11.9
74.43408	0.3
75.00879	1.2
78.95907	0.5
81.03492	0.3
83.01395	6.9
85.02960	21.7
86.00123	0.8
86.03285	0.3
87.00889	1.8
89.02457	2.8
95.01403	2.5
97.02985	0.9
99.00893	5.2
99.09598	0.3
101.02456	28.7
102.02795	0.7
110.29932	0.3
111.00887	5.1
113.02463	12.4
119.03529	0.5
125.02456	1.2
129.01955	1.6
137.02408	0.3
141.01985	0.8
141.12932	0.3
143.03534	0.7
151.00343	0.4
151.04065	0.3
157.53085	0.3
159.03008	3.1
161.04573	9.2
169.01466	0.4
171.13954	0.6
205.03452	0.5
210.03250	1.5
213.18712	0.8
254.02071	0.6
268.03696	0.8
269.04477	0.7
283.02597	1.1
297.04086	3.2
299.25925	2.6
310.96249	0.3
345.26651	0.5
345.30185	8.6
346.30551	1.0
371.05695	0.5
399.05069	0.4
404.05469	0.8
419.07986	0.7
431.07709	0.9
434.10388	0.7
446.10217	0.6
447.25903	0.6
449.12372	0.6
461.12476	1.2
477.12549	1.8
478.12616	0.4
489.11969	3.7
490.12021	0.6
507.35513	100.0
508.35825	10.0
508.43146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2963
Annotation	Siserrone A
Peak:m/z	Relative Intensity
55.49155	0.4
57.46297	0.4
59.01375	2.2
61.57927	0.4
61.90626	0.4
71.01386	0.6
72.16323	0.4
73.59228	0.4
78.95915	0.5
82.95430	1.0
84.29607	0.4
91.04019	1.0
117.03483	20.9
119.05042	33.0
120.05370	0.9
121.02975	4.2
123.04534	1.1
128.12138	0.4
132.07144	0.4
133.02948	1.0
145.02969	100.0
146.03328	2.7
151.00369	0.4
162.03204	1.3
163.04025	21.4
164.04408	1.4
172.31265	0.4
180.77345	0.4
187.11259	0.6
214.55717	0.4
269.21185	1.7
285.74942	0.4
287.22305	8.0
415.24915	16.1
416.25089	1.0
419.33972	0.4
423.18173	0.6
433.25967	19.0
434.26263	1.6
438.16354	0.5
447.13400	1.2
461.20895	0.4
492.89536	0.4
507.29666	71.8
508.29990	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	507.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77853	0.5
59.01369	1.1
71.54218	0.8
78.95915	21.9
86.12123	0.4
96.20687	0.5
96.96959	1.9
122.55237	0.5
145.17485	0.5
148.54048	0.6
152.99605	34.6
171.00661	1.9
187.11201	1.4
227.03340	4.2
237.11151	1.3
245.04381	1.1
250.46262	0.6
261.22394	0.8
279.23322	100.0
280.23718	6.7
415.22632	1.0
431.07941	0.6
449.09277	0.5
507.27371	50.7
508.27786	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	507.2815
Annotation	glas#20
Peak:m/z	Relative Intensity
53.66483	0.4
55.01868	0.7
57.03446	1.3
59.01390	12.5
61.98837	1.2
71.01391	8.8
71.05015	0.7
71.23508	0.4
72.99306	1.1
73.02958	5.2
75.00883	1.2
83.01389	1.1
85.02967	6.5
86.00034	0.6
87.00874	2.4
89.02473	2.8
95.01392	1.1
96.96024	1.0
99.00919	0.6
101.02456	4.4
109.02960	0.5
111.00900	0.6
113.02488	3.1
113.09770	0.8
119.03476	0.9
123.08157	1.0
125.02475	1.3
125.09738	2.7
135.02988	0.8
137.02455	1.1
137.09682	0.8
140.08171	0.5
141.09169	0.8
143.10764	0.7
153.09207	1.1
155.10808	0.5
160.65543	0.5
165.09222	3.8
165.12849	0.7
170.02110	0.8
171.10280	5.4
173.11765	0.6
179.03476	2.5
183.13867	2.1
187.57401	0.5
191.02023	1.3
201.11330	1.2
202.12077	0.8
207.10287	4.5
219.12399	0.8
223.09801	0.7
227.12900	2.1
257.17322	0.6
327.21790	6.8
329.23267	0.9
341.08908	1.0
343.21170	1.9
345.15723	0.9
345.22855	31.0
346.23047	2.1
347.24323	1.4
361.74619	0.5
462.76248	0.6
477.19110	0.9
489.26831	0.8
507.28064	100.0
508.21146	0.6
508.28333	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	507.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13400	1.3
55.01871	4.3
57.03444	4.8
58.00585	3.2
59.01387	86.6
59.85276	1.2
60.01680	1.3
61.98836	3.2
69.03462	2.5
69.92777	5.8
71.01392	94.3
72.01730	2.5
72.99313	5.1
73.02957	28.9
75.00893	1.6
78.95924	2.4
83.01404	7.2
85.02964	33.0
86.03313	2.1
87.00877	3.8
88.01241	1.1
88.74798	1.1
89.02457	100.0
89.37958	1.1
90.02779	1.6
94.51495	1.1
95.01395	4.1
97.02952	4.2
99.00895	41.0
101.02459	64.7
102.02786	1.8
102.11093	1.2
102.26229	1.2
103.02922	1.5
107.01421	1.4
111.00887	1.9
113.02470	27.4
113.25113	1.1
119.03507	5.2
125.02450	6.8
131.03517	19.3
143.03496	3.6
149.04573	69.8
151.00377	1.9
152.01175	1.2
153.87013	1.2
159.02995	4.6
161.04573	14.0
179.05582	1.6
191.02069	1.8
191.04036	1.3
191.05664	17.4
195.13921	9.7
221.06676	3.4
223.09795	1.5
251.07756	6.9
255.33298	1.2
256.17569	1.2
267.09271	2.9
309.10046	1.4
309.20837	1.8
311.09814	1.8
345.30115	7.2
350.13168	1.4
350.69275	1.2
370.46677	1.1
425.18372	6.7
447.13046	2.8
447.38998	1.1
506.34308	8.2
507.24457	38.1
507.34927	63.1
508.24850	3.9
508.35400	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	507.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77527	0.7
57.03468	0.8
59.01387	100.0
60.01727	1.0
60.57601	0.6
61.98842	2.2
71.01394	11.0
72.99328	1.5
73.02953	8.2
75.00893	1.3
77.72023	0.6
83.01410	1.7
85.02962	3.3
89.02451	6.1
95.01412	0.8
96.96028	1.5
99.00890	0.8
101.02454	10.1
113.02450	4.5
119.03545	2.6
125.02480	0.9
131.03566	1.3
131.81129	0.8
141.09309	0.8
142.85558	0.6
143.03529	1.5
149.04596	1.4
161.04596	4.0
161.05865	0.6
170.02347	0.8
179.05693	1.8
191.01959	0.6
193.05023	0.7
205.08813	0.7
205.71349	0.6
221.06706	1.0
223.09755	4.3
229.16943	0.7
243.16151	1.2
295.10599	0.7
311.01324	0.8
314.90509	0.7
356.11740	0.7
387.20239	2.9
405.21338	8.8
406.21805	0.8
447.22501	6.5
507.19467	1.9
507.28491	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33931	0.8
59.01355	1.1
62.18493	0.8
65.00282	1.0
68.99823	1.0
71.01358	0.9
78.95875	3.6
87.00833	1.1
95.04990	3.3
99.00877	6.2
106.04244	1.4
107.04990	2.1
109.06575	1.8
110.00042	3.9
111.00875	1.1
111.58508	0.9
113.06070	2.2
121.02931	1.0
121.06537	1.2
123.08138	1.4
124.01616	1.0
124.98804	1.2
125.06011	1.5
127.07640	1.6
132.05838	41.3
133.06490	2.6
137.06027	2.8
139.07671	8.8
141.05605	5.8
151.07568	1.9
152.99498	3.2
153.05563	1.4
158.03693	1.6
161.09673	1.9
164.03548	0.9
164.04817	16.0
165.05597	24.4
167.07027	2.4
179.07126	12.1
180.97813	5.2
187.11308	100.0
188.11726	5.3
188.13040	1.1
195.06664	7.7
197.08087	3.8
204.04462	1.0
205.05086	5.8
205.08354	1.1
206.05609	1.3
207.06448	1.0
207.13950	1.0
211.11118	2.0
213.09222	6.6
223.06126	4.7
229.12323	2.4
233.11330	1.0
238.87068	1.0
251.12836	1.9
255.10182	2.2
257.11719	1.2
269.11618	0.9
275.12897	4.9
275.44659	0.9
279.23331	18.9
280.23480	1.6
293.14001	31.8
294.14233	2.2
319.11887	12.4
320.11771	1.3
325.79929	0.9
353.17688	10.1
354.17609	1.2
365.17554	4.0
369.09781	5.3
393.17090	7.7
411.17667	3.5
438.16577	1.8
489.22357	2.0
507.23495	36.8
508.24130	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	507.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79259	2.0
55.01882	2.9
56.46829	1.7
57.03443	3.9
59.01388	57.8
61.98854	1.5
66.68702	1.5
69.03443	2.0
69.44346	8.6
69.44749	3.5
71.01389	76.8
71.59751	1.4
73.02953	20.8
75.00893	2.3
78.26006	1.8
82.95395	3.0
83.01389	10.4
85.02952	34.3
87.00880	3.0
89.02460	25.9
93.34464	1.8
95.01424	7.5
97.02965	2.6
99.00882	11.3
101.02457	44.9
113.02460	33.2
117.61232	1.8
119.03515	3.9
125.02450	4.7
128.99426	1.4
131.03506	3.5
143.03479	3.7
149.04575	3.1
159.03004	6.6
161.04570	51.5
162.04970	2.2
211.13411	4.6
315.18140	100.0
316.18518	4.8
345.22809	4.7
404.29575	1.9
447.22287	76.0
448.22668	6.0
507.28644	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	507.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00146	0.9
65.00444	0.7
67.95795	0.7
68.99599	1.4
69.00004	1.7
70.95121	1.1
70.95457	0.8
79.01662	0.8
79.02060	1.5
83.01595	1.8
91.02110	3.6
102.69434	0.6
107.01588	0.8
110.00345	3.5
111.01057	1.5
111.35966	0.6
119.05188	1.2
121.30592	0.7
123.01115	1.8
124.01919	5.6
132.06067	3.2
133.06854	2.1
135.04710	1.6
135.08406	1.3
136.01862	1.4
137.02649	1.5
137.99861	4.4
138.03444	1.7
147.04724	1.0
149.02736	1.9
151.00642	5.2
152.01424	4.4
152.99823	1.1
153.02197	1.2
156.00862	0.7
159.04822	0.8
160.36388	0.7
161.02721	1.1
163.00647	6.2
163.04292	7.0
163.07971	0.8
164.01421	1.6
164.05089	2.3
165.02203	2.6
166.02980	2.5
167.03766	0.6
177.02194	1.4
177.05872	4.0
178.06383	4.6
178.99884	8.1
179.07408	2.0
180.00671	3.7
181.01578	1.5
187.09782	1.2
187.11290	19.2
188.11884	0.9
189.02068	0.8
190.99858	3.2
191.02106	1.1
191.03508	4.0
191.07176	4.8
192.07910	3.0
193.01628	1.0
194.02463	1.0
201.05635	1.1
203.07613	0.7
205.05106	6.2
206.05885	3.6
207.06642	9.8
216.04433	1.0
219.06630	5.7
220.07437	5.3
221.08427	2.8
229.05186	1.0
233.04660	1.1
234.05338	15.3
235.06116	19.1
247.06264	1.4
248.06914	10.7
255.86815	0.6
257.12015	1.1
268.66693	0.7
279.23288	8.8
280.23944	0.9
281.25211	2.0
282.25488	2.8
367.11816	5.1
368.12552	5.4
379.11957	1.8
394.17880	0.9
395.18402	0.9
422.17386	100.0
423.17648	9.4
438.16830	12.8
439.17017	1.1
459.21158	0.8
489.22430	1.1
507.23724	36.8
508.24011	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13879	0.2
65.00315	0.3
69.46730	1.8
78.95918	1.8
89.10197	0.3
95.01429	0.3
132.05830	29.5
133.06233	0.6
137.61554	0.2
146.73257	0.2
152.99596	2.2
163.07736	0.4
164.04813	15.5
165.05377	0.3
183.06683	0.3
187.11302	100.0
188.11630	4.2
205.05063	0.7
207.06639	0.8
213.09201	0.8
217.08734	0.7
227.03294	0.5
231.10283	0.8
233.04555	2.5
233.11829	0.4
251.12895	5.3
252.13307	0.3
261.07724	0.8
275.12875	1.3
279.23309	10.1
280.23648	1.0
293.14099	2.2
319.11902	5.6
320.12289	0.4
324.76602	0.3
507.24237	6.4
508.24033	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41730	1.0
59.01387	2.2
60.34025	0.8
69.80224	5.1
80.91680	2.7
81.12044	1.0
81.51962	1.0
98.20626	1.0
119.05036	57.2
120.05405	1.2
161.02435	1.3
173.09772	2.1
207.10254	1.6
259.52109	1.0
261.14993	3.0
287.12823	2.2
295.04776	1.3
305.10449	1.4
305.13962	26.1
306.14313	1.8
425.19724	100.0
426.20059	7.8
429.15625	2.0
447.16998	10.3
528.98224	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
57.03442	1.1
57.23922	0.6
58.26406	0.7
59.01384	17.0
60.41145	0.8
61.98835	2.6
67.93234	0.7
69.23030	7.1
71.01389	8.8
72.99314	2.4
73.02943	1.7
75.00883	16.8
83.01398	0.9
85.02978	4.6
88.98829	1.0
89.02449	7.7
93.87115	0.7
97.06624	0.7
99.00903	1.7
101.02453	4.5
101.94374	0.7
111.08187	1.8
113.02496	3.8
117.01950	1.6
119.03505	0.9
119.05047	1.0
129.02019	0.8
135.03015	58.8
161.04559	1.3
163.04047	1.2
164.09860	0.7
165.12860	33.5
166.13235	1.6
183.13916	100.0
184.14218	4.4
197.15498	1.4
207.13928	0.9
209.11829	3.9
223.09976	0.9
227.12903	92.2
228.13310	4.4
251.12845	3.4
327.14407	1.6
327.22195	1.0
345.15567	40.1
346.15845	1.7
387.16644	1.4
389.18277	6.2
416.63086	0.8
447.25830	2.0
465.26984	1.1
507.20840	25.8
507.28183	11.8
508.21759	3.6
508.28519	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07166	0.5
53.72143	0.5
59.01415	0.6
65.00362	1.2
67.01936	0.7
68.99880	1.9
74.70129	0.5
79.01915	0.6
83.01419	1.3
91.01907	4.6
93.03537	0.6
98.20663	1.8
99.41399	0.5
107.05093	0.6
108.02229	0.6
110.00127	4.0
111.00925	0.8
115.05661	0.6
117.03465	0.5
119.05103	2.0
121.03030	0.6
121.06673	0.8
121.52048	0.5
123.00978	2.3
123.52630	0.6
124.01672	2.5
125.02526	0.7
132.05830	2.9
133.06647	3.0
136.01767	0.6
136.98880	1.3
137.02509	2.0
137.99680	1.4
138.03325	0.7
139.00417	4.8
143.05067	1.1
149.06178	2.0
150.03305	1.0
151.00478	2.5
151.04066	0.8
151.07758	1.6
152.01230	2.3
153.01962	4.8
156.00778	1.0
161.06233	0.8
163.00383	6.7
163.01469	0.6
163.04120	2.1
164.01050	0.6
164.04901	2.4
165.01933	5.2
165.05614	0.8
165.99168	2.2
166.99947	0.6
168.00740	2.5
175.04109	1.5
177.01967	1.2
177.05588	3.0
178.99918	0.9
179.03503	3.1
179.07205	0.7
180.00706	1.0
181.01591	1.4
183.13962	1.9
187.04062	0.9
187.11293	15.0
188.11717	0.6
189.01996	0.8
189.05623	0.7
190.99879	3.7
191.03514	2.8
191.07272	1.5
192.00696	0.8
193.01437	11.7
193.05151	1.8
194.02249	2.4
194.05920	0.9
201.05591	0.8
202.83542	0.6
203.03575	1.6
204.04303	1.2
205.01514	2.3
205.05052	6.3
206.05959	0.8
207.03024	5.0
207.06667	1.3
218.05887	0.6
219.03116	1.5
219.06609	6.7
220.03868	0.7
221.04576	2.8
222.05460	1.7
223.06114	5.8
223.07753	0.5
224.06798	0.7
231.03040	0.7
232.03864	1.3
233.04573	11.5
234.05396	1.1
235.06111	2.8
236.06931	1.9
237.07765	1.5
246.05440	1.3
247.06090	5.6
250.04836	8.0
251.05627	14.9
252.06183	0.7
255.10484	0.6
257.11819	0.6
264.06454	6.5
325.10861	0.6
327.12430	0.7
351.12402	1.0
379.11823	2.2
381.13400	1.2
393.17651	1.0
395.11172	0.8
410.17838	0.7
411.18115	1.0
420.15967	0.6
421.16562	2.7
422.17142	0.7
429.14771	0.6
438.16852	100.0
439.17200	8.5
453.58124	0.6
489.22723	1.5
507.23892	37.7
508.24188	4.3
528.52539	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	4.8
57.03454	3.6
58.00607	1.1
58.15977	0.4
59.01390	21.5
61.98861	0.4
68.99818	0.6
69.03458	0.9
69.23803	3.9
71.01392	38.6
72.01753	0.6
72.99310	2.0
73.02959	15.3
75.00906	0.6
78.95927	0.5
83.01398	9.6
84.02216	0.5
85.02961	22.6
86.00105	1.3
87.00893	3.2
88.98798	0.6
89.02454	4.8
93.03473	0.7
93.07102	1.0
95.01393	3.7
96.96062	0.6
97.02964	1.7
99.00888	6.3
101.02456	33.3
102.02814	0.7
104.18598	0.4
104.22526	0.4
111.00895	7.0
113.02461	16.3
119.03522	2.1
125.02440	0.7
129.01967	1.1
131.03505	0.5
132.61859	0.5
135.04533	2.2
137.02426	1.3
141.02017	0.5
143.03535	1.4
143.10796	1.7
159.03029	4.6
161.04576	13.1
165.09254	1.4
170.02219	0.8
171.13884	1.1
185.15480	0.6
207.10350	0.5
211.17018	0.5
213.18637	1.4
313.27655	0.6
325.14499	1.2
333.19092	0.7
343.15582	0.6
343.28577	9.9
344.28900	0.6
357.26559	0.5
375.23886	4.4
445.31543	1.1
469.32178	0.6
475.33002	1.1
487.32883	0.5
503.32635	0.6
505.21005	6.0
505.33917	100.0
506.22348	0.8
506.34277	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	506.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.6
61.98837	100.0
65.00327	7.7
71.54369	5.0
72.27650	4.8
86.52270	4.8
97.39970	4.1
119.04985	10.8
132.05820	4.5
147.30446	4.0
151.00383	21.3
169.38309	4.7
170.19197	4.1
181.94351	4.5
187.11316	9.8
188.11557	6.1
205.05110	12.4
206.05367	9.3
220.07008	4.1
232.11192	5.1
255.17488	15.9
256.17892	19.5
393.66547	4.8
408.19266	27.2
421.20181	8.3
462.23630	8.0
506.26382	63.6
507.26062	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	507.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34450	0.5
59.01384	2.9
70.09259	2.3
71.01382	1.8
85.02953	0.8
86.19915	0.5
98.19878	0.6
100.51151	0.5
101.02472	1.2
113.02465	0.7
135.00882	3.6
141.03470	1.5
145.02921	0.9
150.47063	0.4
154.91132	0.5
157.03026	0.7
159.00870	1.4
163.00414	2.8
163.04051	0.8
169.01657	0.8
169.02962	7.4
171.00761	0.7
173.02441	1.1
183.00919	0.5
185.02536	1.0
187.00401	2.8
187.04001	2.1
197.02502	3.6
199.00365	1.0
201.01961	2.8
213.01949	51.1
214.02266	2.1
225.01967	3.8
226.99893	2.0
229.01520	0.6
240.12798	0.5
241.01468	8.8
242.90361	0.5
253.01395	2.0
254.99268	0.8
262.79095	0.5
269.00931	100.0
270.01282	5.4
297.00424	85.4
298.00748	5.3
309.20813	1.0
453.08267	0.6
499.62726	0.6
507.09348	49.0
507.35291	1.6
508.09647	5.0
526.05237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77509	0.5
59.01114	0.8
59.01388	10.5
59.91482	0.5
68.49476	0.4
69.57948	3.1
71.01380	2.0
73.02967	1.1
75.00864	1.2
85.02959	2.1
89.02479	1.2
94.02996	0.7
95.03754	0.8
99.00867	0.6
101.02453	1.5
106.06647	1.9
113.02467	1.2
122.06152	1.1
124.05657	0.4
124.07690	4.4
125.02412	0.4
132.04568	21.4
133.05371	11.5
134.06149	3.9
135.88054	0.5
146.02405	0.5
148.04085	1.1
149.04771	0.6
150.05629	1.3
160.05247	0.4
165.02980	0.8
165.04318	11.9
174.96162	0.4
176.03583	0.7
176.07184	0.8
177.04344	3.6
178.05093	0.8
186.09306	2.3
187.08824	0.8
191.01883	0.7
197.04718	0.4
209.03278	3.6
213.06747	1.5
214.12392	3.1
215.11916	4.9
229.09819	2.2
240.10493	0.9
241.09833	3.2
257.05640	0.6
257.12988	17.1
258.13284	1.1
268.08508	0.6
283.10892	8.9
301.11972	8.9
302.12262	0.8
315.12616	0.8
327.09918	1.3
345.10934	100.0
346.11188	6.4
385.70160	0.5
387.12073	0.5
507.16165	8.0
508.16559	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74430	0.6
55.01882	1.9
55.05221	0.5
57.03456	2.6
57.10282	0.6
59.01387	100.0
60.01713	1.0
61.98835	1.3
69.17038	1.9
69.17460	3.9
71.01391	26.0
72.99319	1.5
73.02955	7.2
74.02496	2.1
74.91483	0.5
78.95920	1.3
82.78139	0.5
83.01399	3.6
85.02959	14.7
87.00904	1.3
89.02458	7.0
95.01418	2.4
99.00883	3.1
101.02457	15.9
105.94762	0.5
111.00911	1.4
113.02459	10.0
119.03532	3.0
121.10244	0.7
122.71327	0.5
125.02456	0.9
129.01987	0.8
131.03546	0.7
136.01741	0.7
143.03561	1.0
149.04588	0.8
153.53438	0.5
159.03036	1.7
161.04568	9.4
257.75742	0.5
268.03699	0.6
283.06290	1.2
284.67505	0.6
289.96695	0.6
343.28738	2.1
347.20737	0.9
403.23560	1.5
445.24652	1.1
505.34131	43.1
506.34567	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	505.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93699	1.1
57.03449	1.6
59.01392	11.7
61.98822	3.5
65.00334	2.1
67.01888	2.3
67.56536	1.2
71.01393	13.6
72.99318	4.8
73.46371	1.2
75.00878	15.2
81.65813	1.1
83.01398	2.2
85.02966	20.0
87.00884	7.7
89.02435	3.1
95.01398	5.3
99.00887	9.5
103.00357	2.8
107.01393	4.9
113.02466	22.6
115.00344	2.1
117.01951	2.9
119.05039	4.6
128.99359	1.4
129.01970	2.5
137.06067	2.5
151.00392	15.3
161.06114	1.6
175.02542	3.3
177.01878	1.6
199.21672	1.5
200.12032	1.3
205.05086	7.7
219.06696	1.5
232.11021	4.9
243.33783	1.4
249.06071	17.4
255.17584	22.7
255.23314	100.0
256.17825	1.6
256.23618	7.4
267.07214	4.8
302.05396	1.3
407.18677	15.5
408.19171	1.7
461.22696	2.4
487.28989	3.7
505.30966	83.6
506.31262	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	505.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.1
57.03456	3.9
58.00603	1.5
59.01388	41.4
60.01704	0.6
61.43573	0.6
69.03436	0.6
71.01389	55.1
72.01745	0.6
72.83648	0.6
72.99306	1.8
73.02955	16.1
75.00880	1.2
77.60962	0.5
77.76488	0.5
83.01395	7.9
83.05066	0.5
85.02960	25.7
86.00133	0.6
87.00883	2.2
89.02456	10.3
91.74940	0.5
95.01410	5.9
97.02956	1.4
98.20649	1.7
99.00893	7.1
101.02451	35.2
102.02814	0.9
111.00896	4.7
113.02464	21.7
119.03509	4.5
121.10220	2.6
125.02441	1.9
129.01974	1.2
131.03459	0.7
137.02461	0.9
143.03506	2.6
152.59521	0.5
153.93932	0.5
157.12389	0.6
159.03011	4.1
161.04576	16.4
162.04813	0.6
165.45859	0.5
167.10696	0.6
168.01434	0.5
171.13943	1.1
176.78618	0.5
179.05679	1.0
185.15483	1.6
343.28470	6.6
344.29184	0.6
347.20633	1.1
475.32739	1.4
487.32660	0.6
505.33914	100.0
506.34155	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	505.2602
Annotation	Isoamoritin
Peak:m/z	Relative Intensity
63.02407	3.6
65.00336	12.4
70.85663	1.6
76.96677	0.7
83.01396	7.4
91.64122	0.7
93.07140	0.8
95.05039	3.1
107.01398	14.9
117.07103	2.2
119.05032	10.2
125.02470	2.6
132.05789	1.2
137.06094	9.0
145.06581	1.0
149.02451	1.1
151.00391	57.1
152.00761	1.8
161.06075	5.0
163.07637	1.0
165.01950	2.2
169.01404	0.8
176.01173	3.0
177.01964	2.2
179.07147	1.8
200.12109	7.3
205.05075	37.5
206.05431	1.3
208.67430	0.8
219.06660	1.8
229.15991	3.0
231.06638	1.3
232.11041	14.1
237.56821	0.7
249.07729	6.0
255.17567	75.3
256.17938	5.8
281.15451	1.4
323.16467	1.6
363.19894	1.1
407.18649	46.4
408.19012	4.9
461.23355	11.3
505.26019	100.0
506.26324	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2579
Annotation	Amoritin
Peak:m/z	Relative Intensity
52.20909	0.5
52.65406	0.6
54.74441	0.6
59.01372	1.5
59.84429	0.6
63.02408	1.7
65.00351	2.9
69.42020	4.6
71.01398	1.0
76.21967	0.6
78.95916	33.3
83.01399	1.1
96.96976	11.3
104.18507	0.5
107.01398	3.6
108.47295	0.6
117.68268	0.6
119.05042	1.0
132.98262	0.9
150.98077	1.0
151.00395	9.0
152.99606	42.3
153.99881	0.8
171.00644	2.0
222.99380	0.9
227.03310	5.7
245.04373	2.2
255.17628	3.4
275.20245	0.8
277.21756	100.0
278.22125	7.3
335.94830	0.7
345.89493	0.6
407.18597	4.8
413.20914	0.9
431.21994	0.8
445.14307	1.8
505.15985	6.7
505.25824	57.9
506.16055	1.6
506.26184	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	505.2602
Annotation	Amoritin
Peak:m/z	Relative Intensity
63.83587	0.9
68.99811	2.6
70.68014	2.5
82.61254	0.8
91.01840	1.0
110.00133	1.8
119.05053	6.2
123.00881	0.8
131.05054	1.3
132.05827	0.9
133.06647	1.0
133.85362	0.8
137.99596	1.9
151.00378	1.5
159.08162	1.3
161.02501	1.5
163.00424	1.8
163.04013	1.1
164.04877	0.8
175.03975	2.0
177.05585	1.6
187.11319	1.9
188.04732	1.4
189.01917	1.2
189.05409	1.0
201.05600	2.3
203.03514	1.5
203.07137	3.1
204.04153	1.1
204.79904	0.8
214.06374	1.2
215.07100	1.3
216.07803	1.3
219.06607	2.0
229.05084	4.4
230.05911	1.2
231.06699	6.4
232.03755	2.3
233.04539	1.0
234.05269	3.9
243.06659	5.0
244.07387	2.4
258.05377	2.4
259.06155	19.4
271.05902	1.1
272.06943	1.4
287.09314	0.9
289.50058	0.8
301.10776	3.6
302.11487	5.3
305.15765	1.3
315.12448	2.2
327.12286	1.2
365.09705	1.1
365.13968	17.4
366.10806	1.4
370.36557	1.0
393.13470	38.4
394.13837	2.6
408.19604	0.9
409.20340	2.1
421.16556	2.3
435.18115	1.8
436.18921	100.0
437.19308	8.6
487.24899	4.5
505.26022	48.7
506.26364	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	505.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15257	1.3
57.03450	3.7
59.01386	100.0
61.98822	5.4
66.61118	1.5
71.01392	23.1
71.53802	2.6
73.02945	8.2
75.00860	1.8
83.01396	4.7
85.02962	18.9
87.00890	3.6
89.02448	5.9
90.06452	1.4
90.62656	1.7
94.71304	1.4
95.01414	2.7
96.96040	2.5
97.02912	2.1
99.00893	5.0
99.04551	1.7
101.02447	17.1
109.02939	1.7
111.00864	1.8
113.02473	12.2
118.92436	1.8
119.03477	3.2
119.05094	1.5
125.02450	6.7
129.01952	1.7
133.02992	11.8
134.03712	2.8
135.04491	1.6
137.02449	4.7
141.09270	1.7
147.03062	1.9
147.79906	1.6
149.02400	4.2
151.07686	2.6
161.02402	3.6
161.04541	4.7
163.03989	1.7
165.01918	2.9
167.03465	2.0
169.08664	2.3
175.02477	2.5
175.03972	4.5
177.01897	6.4
177.05547	2.0
179.10803	2.0
191.01970	2.1
193.05205	2.0
201.01973	2.9
203.03552	2.8
211.04076	2.2
219.02951	2.4
223.13393	2.5
239.03520	3.7
241.14432	5.3
249.06100	3.9
255.12428	3.7
267.03049	4.2
267.06583	2.2
268.03729	17.1
269.04282	2.7
281.04462	1.7
283.06155	27.4
284.06485	2.5
293.04495	1.9
297.04022	4.7
298.04877	2.7
299.05661	9.4
309.03857	2.9
310.04901	2.7
310.55139	1.7
311.05673	8.1
313.07236	4.9
323.05728	3.5
327.05212	11.2
339.05072	19.9
341.06610	2.5
343.11932	2.8
353.06476	2.2
357.06055	3.1
367.04681	10.0
369.05966	7.4
385.05551	19.3
385.18634	10.3
397.05643	4.9
403.19775	33.8
415.06696	14.7
427.15115	1.8
445.11346	4.1
445.20798	24.6
487.08594	5.0
505.09909	78.2
505.18707	8.9
506.10150	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	505.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
57.03460	6.3
58.00595	1.7
59.01386	100.0
60.01722	0.9
61.98847	1.4
65.00347	1.0
66.99133	0.7
69.03468	1.0
71.01392	30.5
71.01785	1.6
72.99344	1.3
73.02954	9.9
77.19843	0.7
81.35253	0.7
83.01411	3.1
83.29724	0.7
85.02966	10.6
87.00890	1.7
89.02451	42.9
93.03461	1.1
95.01405	1.6
95.05066	0.8
96.96021	1.7
97.02968	1.8
99.00888	14.3
99.04542	2.1
101.02450	21.4
103.35413	0.7
107.01402	2.6
108.02216	2.3
109.02969	3.3
113.02460	7.4
113.06108	3.1
115.03979	1.2
119.03461	3.7
120.01312	1.1
121.02971	2.8
123.08159	0.9
124.01606	0.9
125.02445	5.7
131.03531	8.2
133.03021	1.1
134.03790	1.0
135.00877	1.6
136.01666	1.6
137.02470	1.5
137.09772	2.2
139.04097	0.8
141.09233	2.9
143.03520	2.2
147.03038	1.4
148.01686	1.6
149.04572	32.1
151.00377	9.8
151.03996	1.7
153.09225	2.6
161.02544	1.1
161.04565	4.7
161.05730	0.9
163.00403	3.1
163.11281	1.1
164.01112	0.9
165.09253	3.2
166.24110	0.8
167.03485	0.9
169.12703	0.7
175.03978	1.5
177.01993	1.5
178.99927	4.6
179.05672	1.1
179.10818	1.7
187.04065	0.9
187.11369	2.1
189.05656	0.8
191.00017	0.8
191.01924	0.9
191.05627	6.1
192.00616	0.9
193.12341	1.6
199.03964	1.5
201.01932	1.0
201.05472	0.8
203.05588	1.2
205.01299	0.8
205.12383	5.0
211.03990	2.3
215.03456	1.2
221.06764	1.4
223.13406	19.5
224.14032	1.1
226.02667	1.9
227.03436	2.9
241.12186	0.7
241.14499	3.1
243.03011	11.8
244.03696	1.0
245.04546	1.2
247.71193	0.9
251.07787	3.1
254.02194	1.8
255.03011	30.5
256.03406	2.3
271.02490	63.0
272.02951	4.9
273.03983	1.0
277.97720	0.7
283.02463	1.7
283.05603	0.9
285.04114	1.3
299.02042	1.6
299.05640	2.2
300.02771	95.6
301.03506	40.5
302.03918	1.7
313.07315	1.3
327.04898	1.0
339.05164	3.0
341.14185	1.4
343.11948	2.6
367.04630	1.6
373.22394	2.1
385.05600	3.7
385.12997	3.6
385.18753	6.2
397.05902	1.6
403.19742	3.9
415.06836	3.0
445.20816	5.9
447.09485	1.2
461.10989	1.0
463.08688	3.0
487.08801	1.2
505.09906	73.4
505.26370	11.7
506.10208	7.9
506.26703	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.4
57.03452	4.4
59.01386	100.0
63.02388	1.0
65.00318	1.4
65.88513	0.6
69.03472	1.7
69.75045	4.0
71.01391	29.8
72.99336	2.2
73.02956	10.0
81.03442	0.8
83.01405	2.1
85.02960	10.3
87.00893	2.0
89.02454	36.2
90.02774	0.8
93.03504	0.8
95.01431	0.9
96.96033	1.9
97.02960	1.0
99.00893	11.9
99.04539	1.5
101.02459	20.1
107.01411	2.5
107.76604	0.7
108.02207	1.5
109.02969	2.7
113.02454	6.7
113.06101	2.7
119.03520	3.0
121.02969	2.0
123.08200	1.4
125.02451	7.0
131.03510	7.1
133.02982	2.7
134.03766	1.5
135.00894	0.9
135.04480	1.5
136.01704	1.7
137.02446	1.7
137.09708	1.7
141.09221	2.3
141.45518	0.7
143.03528	1.7
143.05034	0.7
143.89458	0.7
147.03052	0.8
148.01720	1.8
149.04570	29.0
149.34453	0.6
151.00398	9.3
151.04070	2.0
151.07602	0.9
151.11308	0.7
153.09239	1.4
159.04462	0.8
161.02434	1.0
161.04596	4.9
163.00409	2.9
163.04164	0.7
163.11307	1.0
164.01158	1.2
165.09254	4.3
175.02431	0.9
175.03970	1.8
175.07622	1.3
177.01978	1.3
177.12766	1.1
178.99872	4.7
179.05693	1.2
179.10765	1.2
183.04602	1.0
187.11343	1.4
191.01990	1.4
191.03850	0.9
191.05627	6.0
197.11975	0.7
199.04123	1.6
203.03677	1.0
203.05569	1.2
205.12358	6.4
209.02985	0.9
211.03986	1.2
215.03569	1.3
221.06654	2.1
223.13405	18.8
224.13686	0.8
226.02667	1.4
227.03558	3.5
229.05031	1.1
241.14516	4.5
243.02983	12.4
244.03566	0.9
245.04514	1.4
251.07712	2.5
254.02255	2.3
255.03003	27.3
256.03436	1.8
271.02502	63.4
272.02969	5.8
273.04080	0.9
283.02597	1.1
285.04004	1.2
299.02194	1.7
299.05301	1.7
300.02783	97.2
301.03513	42.7
302.04001	3.5
311.06070	1.5
311.09537	1.0
313.07162	1.5
327.04730	0.8
339.05154	3.6
341.13934	0.8
343.04538	0.7
343.11911	3.1
367.04489	2.1
369.06235	2.0
373.22479	1.8
385.05725	3.6
385.13101	3.6
385.18759	6.3
403.19754	4.0
415.06677	1.8
445.20807	5.2
463.08801	2.8
487.08890	1.0
505.09915	70.9
505.26346	11.2
506.10196	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	505.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.8
68.99838	2.5
78.95912	13.9
83.01353	1.7
91.01932	4.2
96.96028	4.8
96.97070	1.4
106.96206	1.1
110.00109	4.1
119.05039	10.2
123.00925	1.9
124.01658	1.5
133.06532	1.6
136.01640	1.9
137.02486	1.3
137.99577	6.6
151.00391	5.3
151.60428	1.1
152.01181	3.4
152.99609	24.0
158.84068	1.4
161.06165	1.3
163.00380	8.9
163.04070	7.2
165.01944	2.4
177.05605	2.9
178.06390	7.7
178.99875	2.2
179.07063	1.2
190.99834	1.7
191.03554	6.0
191.07143	5.9
192.07880	2.0
205.04977	6.1
206.05836	6.2
207.06610	7.6
219.06665	13.3
220.07370	4.7
221.08098	3.0
227.03308	2.9
233.04489	2.0
234.05353	28.4
235.06114	15.2
247.06033	2.6
248.06895	17.8
258.05347	1.9
277.21774	56.2
278.22104	3.0
311.05621	4.9
316.04575	2.2
326.11810	1.4
327.12369	1.6
339.11572	1.3
353.10254	1.4
354.11096	100.0
355.11554	8.5
407.18787	2.1
423.18158	94.2
424.18378	9.6
505.15372	2.0
505.25906	34.8
506.26202	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	505.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35269	1.0
57.03444	1.3
59.01391	12.9
61.98837	29.1
69.44199	0.9
69.77847	2.5
69.78233	3.0
70.16238	1.0
70.49699	1.1
71.01397	5.5
71.05029	1.1
71.77158	1.1
73.02951	5.2
79.95757	1.0
81.03454	6.5
83.01413	4.4
85.02973	5.3
85.72719	1.2
87.00884	1.8
87.24546	1.0
89.02469	1.9
93.03464	2.1
95.01383	2.4
95.05015	5.3
96.96021	3.0
97.02954	10.8
98.20584	1.5
99.00885	1.3
99.04536	3.3
101.02470	2.6
107.05051	2.9
108.02232	1.2
109.02975	3.5
111.04545	2.5
113.02422	2.3
117.03506	3.4
119.05027	1.3
121.02983	3.5
123.04568	6.0
125.02462	7.9
135.04530	3.8
137.02470	4.2
137.06110	11.3
139.04034	5.7
149.02472	3.0
149.06047	3.5
151.04066	3.3
151.07640	3.6
153.05588	3.1
161.02501	8.1
161.57811	1.1
163.04074	1.7
165.01935	1.1
165.05583	2.4
167.03513	21.5
175.04041	3.0
175.07628	1.7
177.01942	5.7
177.05620	1.9
179.03497	3.2
179.07097	1.9
181.05096	10.6
191.03668	1.3
193.05161	5.2
195.06747	1.9
197.04590	3.3
197.11920	1.5
199.79790	1.0
203.07086	1.4
205.01430	3.2
207.06689	2.2
209.04558	17.3
221.08290	1.3
223.06102	21.2
223.08063	1.5
224.06644	1.4
235.06148	8.6
239.05521	6.5
247.06178	2.2
249.07755	2.7
253.07199	6.7
265.07193	100.0
266.07654	5.8
267.06763	3.4
269.06735	2.3
277.07138	3.7
283.06137	4.1
293.29230	1.1
295.08386	64.1
296.08521	4.4
307.08270	3.8
311.05560	4.8
323.05612	23.4
323.87692	1.3
325.09305	20.4
339.04813	2.0
341.06384	2.0
350.32916	1.2
365.63107	1.6
367.04697	3.6
367.10233	7.4
385.06329	1.8
385.11398	15.1
397.11606	5.3
411.13968	1.2
415.06207	1.3
415.12161	1.3
431.09937	7.7
443.10062	2.7
487.08731	15.3
505.09219	9.0
505.15326	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	505.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66218	1.7
63.02402	2.8
65.00330	7.8
70.26514	6.1
73.12016	2.0
78.95916	10.2
79.95748	3.8
83.01378	3.1
87.26851	1.7
87.30285	1.8
96.96025	100.0
107.01388	11.0
132.98209	6.2
151.00400	29.6
151.63330	2.0
152.99614	13.3
167.11191	1.6
222.99301	4.8
227.03368	2.2
255.17557	6.4
277.21744	39.8
286.37848	1.8
407.18716	11.7
461.20087	2.4
482.66870	1.8
505.15445	25.9
505.25897	22.2
506.15561	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	505.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21223	1.5
52.65559	1.5
54.31907	1.4
54.41595	1.4
57.03449	1.6
59.01388	48.9
61.98833	10.9
69.51031	9.1
71.01388	27.2
71.35281	1.4
72.99346	2.5
73.02957	2.8
75.00874	3.0
81.03451	1.8
83.01397	2.6
85.02959	7.2
89.02457	30.6
91.01904	2.9
93.03459	3.5
96.96029	4.0
97.02962	2.3
98.20631	3.4
99.00861	2.5
99.04537	1.6
101.02469	9.2
109.02970	5.3
113.02472	4.7
117.03468	1.7
119.01512	1.7
119.03506	1.6
121.02956	5.3
125.02468	12.5
131.03510	5.9
133.02975	17.4
134.03757	3.7
135.00816	1.7
135.04538	1.6
137.02428	6.0
143.03531	2.1
147.04489	1.7
149.02437	2.6
149.04591	9.6
151.04033	31.1
161.02443	3.9
161.04590	1.6
165.01932	2.4
175.03992	4.0
177.01936	3.9
191.05652	4.3
198.58388	1.8
201.01921	2.8
201.22542	1.5
205.01460	3.3
205.12520	1.9
231.02943	3.2
233.06715	5.1
236.29182	1.7
249.03862	2.0
265.05118	2.4
267.06683	1.9
281.04456	3.7
283.06033	2.5
285.04385	2.4
293.05322	2.2
293.08817	18.3
297.04102	7.0
298.04803	6.2
299.05646	9.6
309.03973	3.0
310.04770	3.8
311.05716	8.6
313.07239	5.8
323.05618	7.7
325.07159	2.2
327.05179	8.1
338.04425	2.7
339.05109	25.9
341.06540	7.5
353.06821	1.9
357.06088	2.1
367.04532	11.6
368.05069	1.7
369.06229	10.6
371.07748	2.5
385.05692	24.2
397.05588	8.8
415.06705	19.9
487.08725	13.0
495.28650	1.7
505.09921	100.0
506.10220	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42249	6.8
60.02022	5.4
63.74628	5.3
65.00323	23.2
68.99798	5.5
71.54883	9.4
73.60409	6.2
73.70040	7.3
79.95718	7.7
87.40181	5.6
96.96021	100.0
129.17059	6.4
132.05814	20.7
132.98245	8.0
133.06641	33.4
135.99605	7.3
151.07684	10.2
164.04820	9.6
175.07625	15.2
176.01169	7.0
176.04366	6.7
187.11232	57.5
207.67142	7.0
219.06660	84.6
228.23088	6.4
313.97238	7.3
382.15710	6.7
407.18652	76.5
424.77560	7.9
445.14023	17.3
505.08423	15.0
505.15332	82.5
505.22324	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33702	0.3
56.47284	0.3
59.01369	0.9
61.98824	0.5
65.71037	0.4
69.44583	2.9
93.03461	0.4
101.03994	0.3
119.05043	0.8
121.02969	100.0
122.03299	2.2
143.04709	0.3
151.00447	0.5
152.99602	0.9
160.19632	0.4
180.05850	0.5
181.06601	2.8
193.06630	0.4
197.06082	3.1
207.04466	1.2
223.03931	0.5
225.05597	2.1
257.09753	0.7
295.06290	0.5
301.08960	0.4
313.07187	4.9
357.06131	0.6
383.07864	1.2
389.10324	0.5
417.09787	10.4
418.10391	0.7
423.18265	0.5
451.11050	0.4
461.12561	0.6
504.31012	0.4
505.11450	7.5
505.18573	0.7
505.27554	0.4
506.12149	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	29.0
61.98855	2.7
71.01404	4.0
72.99281	0.6
73.02960	1.1
74.48420	0.6
78.00340	0.5
83.01407	0.8
83.62728	0.5
85.02965	3.5
87.00863	0.7
89.02454	1.3
95.01416	0.6
101.02469	2.4
108.02174	1.0
109.02928	0.7
113.02463	1.5
119.03526	0.7
133.02992	0.8
135.00920	1.0
147.03038	0.8
148.01692	0.7
161.04637	1.0
175.02496	1.4
176.01126	0.6
184.05350	2.2
195.04559	1.1
196.05350	1.2
211.04048	4.7
212.04642	1.0
223.04024	0.8
224.04813	1.2
239.03526	12.9
240.04187	3.7
253.05116	1.6
267.03012	13.7
268.03806	52.4
269.04193	3.3
281.04559	5.3
282.05420	5.6
283.06158	100.0
284.06412	5.7
299.09171	0.8
311.05716	1.2
323.05670	1.0
339.05151	1.5
348.15622	0.7
358.45523	0.6
367.04187	0.7
385.05688	1.4
385.18707	2.5
397.05460	0.7
403.19821	5.8
415.06689	1.0
430.09064	1.6
445.11493	21.1
445.20587	3.6
446.11646	1.3
505.09824	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	505.0996
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
55.01865	1.1
57.03461	2.5
58.00605	1.2
59.01384	55.4
61.98832	1.1
63.18389	0.5
65.00322	1.5
69.21385	4.8
71.01389	25.5
71.70858	0.5
72.01731	0.6
72.99313	1.6
73.02954	9.5
79.45963	0.5
83.01406	2.5
83.58499	0.5
85.02469	1.0
85.02960	14.0
87.00877	1.5
89.02454	42.3
93.03426	0.6
96.95995	1.1
97.02937	0.8
98.19865	1.2
99.00895	12.0
100.01229	0.5
101.02452	19.3
107.01392	2.8
108.02171	2.0
109.02969	2.1
113.02466	6.7
113.06092	0.9
115.00370	0.7
119.03521	2.3
121.02975	2.4
125.02434	2.8
129.01917	1.6
130.66341	0.5
131.03523	8.0
135.00919	0.5
136.01628	1.6
137.02434	1.1
143.03456	0.9
147.02972	2.1
148.01711	2.0
149.04573	28.7
151.00383	9.7
151.04028	1.8
152.00815	0.5
153.01984	0.5
161.02428	0.8
161.04604	3.1
161.05719	0.5
163.00443	2.9
164.01151	0.9
165.09297	0.8
167.03529	0.6
173.06085	0.6
174.03233	0.7
175.04007	1.1
178.99876	5.8
179.05530	0.9
184.76523	0.5
187.03960	1.0
187.07646	1.4
191.00372	0.5
191.01996	2.7
191.05634	6.6
192.00717	0.5
193.01349	0.6
198.03319	0.9
199.03989	1.0
200.96036	0.5
201.05547	0.6
205.12389	1.2
211.03983	1.0
212.04486	0.5
215.03542	1.0
216.04236	0.7
221.06602	1.3
223.13438	4.5
226.02702	1.5
227.03467	2.8
229.05016	0.8
231.10226	0.8
241.14468	1.3
243.03000	12.2
244.03461	1.1
245.04469	1.4
251.07719	2.5
254.02275	2.8
255.03014	31.7
256.03458	1.6
271.02490	60.3
272.02988	5.0
273.03979	1.3
283.02463	1.4
293.08978	0.6
293.68555	0.6
299.02029	1.2
300.02771	100.0
301.03510	48.1
302.04004	2.9
334.13306	0.6
341.13925	1.7
343.11914	3.5
373.22400	4.0
385.18582	0.8
397.05624	0.6
403.19824	1.4
445.20718	1.5
461.15375	0.6
463.08734	3.1
505.09930	65.1
505.26410	17.3
506.10342	6.1
506.27118	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27005	1.2
57.01255	1.3
57.03456	1.5
59.01390	21.0
61.98844	3.0
69.60481	2.7
69.60892	7.8
70.72824	1.5
71.01398	6.7
72.99311	3.6
73.02958	2.4
74.02469	1.6
74.04744	1.3
75.00890	1.7
83.01390	2.1
85.02964	7.8
89.02460	6.3
93.03468	3.9
96.96014	5.2
98.20624	2.1
101.02479	3.0
105.03479	3.7
109.02937	2.6
113.02441	5.1
115.03988	1.4
117.03467	17.5
119.03483	1.6
119.05023	5.9
120.01257	1.9
121.02934	2.5
123.04498	1.4
125.02449	2.6
133.02962	4.8
135.04541	1.8
137.02463	3.1
147.04535	2.8
149.02472	10.9
151.04022	3.4
159.04491	2.0
161.02466	30.0
161.04553	1.8
163.00377	1.6
167.03447	1.8
173.02443	4.3
175.04016	5.1
177.01949	23.8
179.03494	2.3
187.00340	1.4
191.01999	2.5
191.03558	3.1
197.11856	2.3
203.03587	2.9
205.01425	18.7
219.03026	1.5
223.07712	2.8
232.41560	1.5
239.07265	3.6
243.28519	1.8
247.02519	1.8
251.07121	3.0
253.05022	1.8
265.07224	4.4
267.06689	13.2
277.04996	3.0
279.06540	2.4
281.04596	3.2
283.06189	14.9
293.04633	3.7
294.05115	2.7
295.06064	42.7
296.06427	1.8
297.07742	1.6
298.61819	1.4
305.04651	5.9
311.05609	28.1
312.05798	2.5
323.05637	100.0
324.05966	8.4
339.05093	5.4
341.06702	9.9
343.04520	3.4
367.04614	18.8
431.09885	36.3
432.10248	5.4
443.10004	13.7
444.10516	1.5
459.09433	7.2
461.10916	2.3
487.08865	78.1
488.09222	8.7
505.09839	43.3
505.17514	2.4
506.09937	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	503.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.8
59.01388	100.0
60.01726	0.8
61.98841	3.1
68.99166	0.7
71.01395	11.2
71.55088	1.0
73.02950	4.9
75.00877	1.5
79.90429	0.7
83.01392	2.2
85.02966	9.9
87.00906	1.5
88.17950	0.7
89.02459	8.1
95.01389	1.3
95.71286	0.7
96.96011	1.4
99.00909	1.3
101.02470	7.8
109.06633	0.7
113.02464	6.6
119.03498	2.2
125.02460	3.3
125.06001	0.8
133.03050	0.8
143.03519	1.2
147.02968	1.1
149.04599	1.0
151.04021	2.1
161.02480	0.9
161.04594	2.1
165.34302	0.7
179.05577	1.0
191.01965	1.6
208.99614	3.2
235.09709	0.9
285.03891	1.0
285.07550	1.8
293.08737	0.8
299.05649	0.9
335.71100	0.7
341.13837	2.6
345.13632	1.2
371.24319	2.7
373.13101	1.7
401.21902	1.3
503.19229	3.9
503.32819	6.8
504.32889	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23904	0.4
57.25976	0.4
58.43613	0.5
61.98838	100.0
69.47881	2.4
69.48299	1.3
102.05653	0.9
111.19490	0.5
129.68314	0.5
132.31633	0.4
440.38223	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55154	1.9
53.54415	2.0
56.17275	2.0
56.40201	1.8
57.44294	1.8
59.01389	17.8
65.61304	1.7
67.09376	1.6
67.09750	1.6
71.01381	4.2
71.53732	2.9
73.02955	1.9
79.01868	2.1
85.02965	10.2
87.00900	2.1
91.05996	1.9
93.03485	4.4
96.96033	2.0
97.02962	1.9
101.02418	3.7
113.02431	3.1
115.00397	2.3
117.03488	14.6
119.05035	3.3
121.02965	4.9
123.04520	2.7
125.02470	9.4
128.03566	2.7
133.02954	2.2
135.04457	2.5
137.02422	5.4
137.15012	1.8
149.02461	11.6
151.04036	4.1
159.04561	2.4
161.02446	22.4
167.03539	2.1
173.02417	3.0
175.04016	4.4
177.01962	23.6
179.05589	2.2
191.02014	3.3
192.87096	2.1
197.11824	2.5
203.03531	3.5
205.01431	19.2
209.04558	2.6
219.02934	2.0
223.07837	3.4
236.60899	2.0
251.07065	2.4
265.07184	10.7
266.05841	2.3
267.06601	14.3
281.04562	5.7
283.06104	17.6
293.04654	3.2
295.06027	46.2
296.06595	2.9
305.04544	6.5
311.05646	33.3
323.05630	100.0
324.05988	8.2
339.04898	4.2
341.06729	7.7
353.06863	3.3
367.04556	21.1
431.09866	39.1
432.10211	3.4
443.09912	15.2
459.09399	4.9
487.08841	77.9
488.09265	8.1
505.09845	32.9
505.17676	3.5
506.10114	4.1
519.86237	2.1
525.41608	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	503.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	2.7
57.01844	2.3
57.03450	3.4
58.75521	2.2
59.01388	100.0
68.99574	3.6
69.03447	4.8
70.23309	8.5
71.01392	38.7
73.02943	16.8
78.91878	2.4
80.30502	2.5
82.48653	2.3
83.01418	4.1
85.02969	22.4
89.02459	22.3
93.91012	2.2
95.01357	3.4
97.57369	3.0
98.04027	2.5
99.00920	5.9
101.02453	23.3
112.98571	4.8
113.02456	26.6
125.02464	5.3
131.03537	4.2
143.03551	4.7
149.04652	2.6
149.09752	4.9
161.04581	8.7
167.03473	2.9
179.05635	2.8
233.06659	3.6
293.08810	8.4
346.23166	2.2
399.23773	5.3
503.18439	4.5
503.25238	7.3
503.32291	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	503.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44981	0.9
70.76291	2.5
78.95912	48.5
81.11373	1.0
90.41595	1.0
96.96968	4.3
107.24384	0.9
112.09431	0.9
116.43427	0.8
152.99596	53.1
153.99879	0.8
161.76950	0.9
171.00655	19.0
179.14542	0.9
195.75958	1.2
212.47131	1.0
213.41380	0.9
227.03175	2.9
229.68600	1.0
231.21181	35.2
232.21548	2.3
242.08147	1.6
245.04321	100.0
246.04518	1.4
275.20169	40.6
276.20483	2.9
279.23303	48.7
503.24283	22.1
504.24280	2.0
504.30893	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2445
Annotation	Millewanin B
Peak:m/z	Relative Intensity
54.53343	0.9
54.67840	1.0
59.01379	1.5
68.99809	1.3
71.54214	1.5
74.26718	0.8
75.83498	0.9
79.01882	1.1
79.09805	0.8
107.05042	1.0
107.92664	1.0
119.05045	19.6
127.65573	0.9
131.05078	1.1
132.05780	1.3
145.02963	1.5
155.87125	0.8
157.06664	1.5
175.00522	0.9
186.03194	2.0
187.11310	1.6
189.05580	1.6
199.07716	2.8
201.05539	3.8
203.03596	1.1
203.07176	1.7
215.07191	3.1
218.05864	1.1
227.07248	1.0
229.04987	1.6
231.06595	3.8
241.05075	2.2
242.05827	1.2
243.04121	1.3
243.06616	26.3
243.10289	1.6
255.06587	1.1
255.17532	6.5
256.07458	2.7
271.09775	1.4
285.11383	1.2
286.12167	2.5
309.07809	5.0
321.11456	1.2
335.13168	1.2
351.12048	1.4
352.12793	1.3
362.11630	1.0
365.14310	1.2
377.13937	47.6
378.14267	3.7
405.17065	1.6
420.19534	2.7
421.20334	4.3
434.17371	5.2
435.17780	1.1
503.24460	100.0
504.24780	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	503.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.2
57.03456	10.9
58.00571	4.0
58.31611	1.8
59.01386	100.0
61.98843	4.9
69.03452	5.4
69.50634	13.4
71.01393	91.5
71.05005	4.6
72.99320	8.1
73.02960	26.9
75.00868	6.3
78.95924	2.5
80.91674	3.5
81.03467	3.4
83.01385	14.6
83.05028	4.2
85.02464	3.6
85.02965	53.7
87.00875	9.9
89.01943	3.7
89.02457	54.2
95.01382	9.9
96.96024	5.7
96.96990	2.6
97.02990	6.4
97.06582	5.4
98.19971	4.4
99.00916	13.0
101.02455	52.7
106.53214	2.1
108.29000	2.4
109.02988	2.2
109.12135	2.3
111.00916	3.0
113.02477	38.0
113.06029	2.8
114.02735	2.8
115.03971	3.5
119.03503	7.2
119.05007	4.7
125.02494	20.1
129.01970	3.2
131.03508	9.6
135.04524	3.7
143.03502	6.9
149.04543	9.9
149.09755	20.1
152.01033	2.5
159.02950	2.6
161.04582	21.9
179.03427	3.4
191.02017	4.1
191.05614	5.3
233.06694	8.8
241.04988	4.0
243.19632	3.7
269.04587	5.5
283.06223	3.7
293.08813	39.4
299.05811	13.1
299.09106	3.4
341.19543	2.6
359.27960	4.6
371.20718	17.0
373.13205	3.5
443.19016	3.4
459.22165	2.7
484.73193	2.9
503.19507	6.8
503.25027	47.9
503.32275	36.6
504.25375	6.0
504.32324	3.3
508.30161	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	503.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.2
57.03456	10.9
58.00571	4.0
58.31611	1.8
59.01386	100.0
61.98843	4.9
69.03452	5.4
69.50634	13.4
71.01393	91.5
71.05005	4.6
72.99320	8.1
73.02960	26.9
75.00868	6.3
78.95924	2.5
80.91674	3.5
81.03467	3.4
83.01385	14.6
83.05028	4.2
85.02464	3.6
85.02965	53.7
87.00875	9.9
89.01943	3.7
89.02457	54.2
95.01382	9.9
96.96024	5.7
96.96990	2.6
97.02990	6.4
97.06582	5.4
98.19971	4.4
99.00916	13.0
101.02455	52.7
106.53214	2.1
108.29000	2.4
109.02988	2.2
109.12135	2.3
111.00916	3.0
113.02477	38.0
113.06029	2.8
114.02735	2.8
115.03971	3.5
119.03503	7.2
119.05007	4.7
125.02494	20.1
129.01970	3.2
131.03508	9.6
135.04524	3.7
143.03502	6.9
149.04543	9.9
149.09755	20.1
152.01033	2.5
159.02950	2.6
161.04582	21.9
179.03427	3.4
191.02017	4.1
191.05614	5.3
233.06694	8.8
241.04988	4.0
243.19632	3.7
269.04587	5.5
283.06223	3.7
293.08813	39.4
299.05811	13.1
299.09106	3.4
341.19543	2.6
359.27960	4.6
371.20718	17.0
373.13205	3.5
443.19016	3.4
459.22165	2.7
484.73193	2.9
503.19507	6.8
503.25027	47.9
503.32275	36.6
504.25375	6.0
504.32324	3.3
508.30161	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	503.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47495	0.8
51.91803	0.8
53.04204	0.9
59.01365	0.8
62.45267	0.8
71.38107	1.3
73.28902	0.9
82.68350	0.8
93.03476	1.5
119.05048	11.7
126.03151	0.8
134.30544	0.8
162.02931	0.8
165.10396	0.8
176.01140	0.9
189.01923	1.3
201.01906	1.9
201.05568	3.0
215.06851	1.1
217.08676	1.0
219.13881	1.6
229.08778	1.5
231.06622	2.0
232.07330	1.6
243.06728	4.0
243.13966	1.4
255.17548	6.6
257.08148	2.1
271.13434	1.6
285.11475	1.0
287.12924	6.0
321.11310	1.1
351.11978	1.0
363.12326	1.8
377.13913	2.4
379.19180	3.3
421.20233	100.0
422.20605	9.2
422.86215	0.9
503.24570	10.4
504.24667	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	1.1
59.01390	6.2
61.98845	0.5
65.00356	0.8
65.26886	0.3
69.17612	0.7
69.18009	2.2
71.01407	2.8
71.34338	0.3
72.99300	0.7
73.02969	0.6
75.00880	3.5
81.03471	4.6
83.01408	1.0
85.02972	2.7
87.00901	0.3
89.02460	2.5
90.26018	0.3
95.01409	0.3
96.96066	0.3
98.20681	0.7
99.00891	0.7
99.08193	0.9
101.02467	1.6
101.06123	0.6
107.01436	0.4
113.02495	1.1
117.01955	0.5
123.08202	2.0
125.02477	4.9
125.06104	4.2
129.01953	0.3
130.08751	0.6
131.03517	0.4
131.71898	0.3
135.03017	12.9
135.11836	1.4
136.05344	0.7
141.09218	0.7
147.03024	0.4
147.08183	1.2
149.02461	0.5
149.04564	1.0
151.00403	1.2
152.01089	0.3
161.04567	0.6
161.09798	0.7
165.09235	22.2
166.09563	1.0
167.07085	0.4
179.05736	0.3
179.10814	8.5
180.11111	0.8
186.72472	0.3
189.48474	0.3
191.02013	0.8
191.07141	1.6
205.08710	0.5
209.08220	100.0
210.08528	4.6
223.09770	7.0
233.08220	0.6
246.90118	0.3
249.06184	0.4
251.09200	0.5
268.62885	0.3
283.06015	0.4
292.08099	0.4
298.04749	0.6
300.07257	0.3
311.05585	0.8
341.06528	1.0
341.12494	5.1
383.13168	0.6
385.15079	0.4
413.08603	0.7
503.17712	13.8
503.25186	0.7
504.18307	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1777
Annotation	Tinosinen
Peak:m/z	Relative Intensity
57.03452	0.9
59.01393	0.9
59.67762	0.1
59.94447	0.1
60.42675	0.1
65.00308	0.6
69.03474	0.1
69.43316	0.1
70.18153	0.4
71.01383	0.6
80.03081	0.1
81.03465	4.5
83.01388	0.8
85.02953	0.7
87.00890	0.1
89.02447	0.3
95.01408	0.2
95.05032	0.2
98.19996	0.1
99.08170	1.1
101.02417	0.2
101.06113	0.7
104.28991	0.1
107.01419	0.5
113.02446	0.3
121.02963	0.2
122.03731	0.2
123.08175	2.2
124.01673	0.2
124.08514	0.1
125.02466	8.1
125.06096	5.0
126.02837	0.2
126.06479	0.2
136.05333	0.8
137.06064	0.3
141.09212	0.6
147.03033	0.1
147.08174	0.9
149.02460	0.7
149.04678	0.1
150.06845	0.2
151.00375	1.1
151.73344	0.1
152.01115	0.3
163.07637	0.2
165.09224	24.0
166.09575	1.1
167.07156	0.3
171.72578	0.1
179.10730	0.2
191.01945	0.3
191.03528	0.3
191.07147	1.6
205.08743	0.3
209.08209	100.0
210.08537	4.5
233.08214	2.4
251.09335	0.5
263.09259	0.3
267.06772	0.1
275.09290	0.4
341.10315	0.4
419.11856	0.3
485.16534	0.2
503.17749	19.3
504.17987	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	503.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.6
59.01392	3.0
70.82641	0.8
71.01393	2.5
75.00900	0.4
78.95903	0.5
85.02967	6.5
87.00876	0.5
87.48841	0.4
88.68565	0.3
89.02464	1.8
95.01422	0.4
96.96017	2.4
96.96982	1.1
101.02457	1.4
101.61825	0.4
105.03417	0.5
113.02469	1.0
117.03505	0.4
125.02413	0.5
129.01962	0.9
132.02222	1.0
133.02971	19.1
135.04539	12.2
147.03021	1.2
149.06082	1.3
161.02458	100.0
162.02779	3.2
167.98288	0.4
170.44852	0.4
175.04044	0.7
177.05547	1.9
179.03519	23.9
180.03908	0.7
191.01953	3.0
203.03551	2.5
209.03026	2.4
221.04575	1.8
251.05650	0.5
281.06708	1.0
326.19638	0.4
341.08798	50.9
342.09204	2.7
503.14386	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	503.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.8
59.01390	3.7
67.36041	0.6
69.21769	2.5
69.22192	2.3
71.01394	2.1
72.99293	0.7
78.95903	3.8
79.95765	0.5
81.64056	0.5
85.02966	5.4
86.91812	0.5
88.34715	0.6
89.02461	1.5
96.96030	7.5
96.96966	5.9
98.24759	0.6
101.02439	1.0
113.02489	0.7
117.03466	0.9
118.38109	0.6
118.76208	0.5
125.02486	1.3
129.01921	1.0
132.02202	1.9
133.02977	22.4
134.03526	0.5
135.04544	29.3
136.04889	0.9
137.02501	0.8
147.03026	0.7
149.06084	1.7
160.01686	3.2
161.02467	100.0
162.02802	3.1
175.03993	1.1
177.05597	2.5
179.03520	49.4
180.03856	0.9
191.02020	2.2
203.03535	2.4
209.03093	4.0
221.04619	2.5
223.10118	0.6
251.05450	0.6
281.06653	0.6
305.06668	1.5
323.07758	9.7
341.08789	64.4
342.09158	3.7
365.08823	0.7
467.11932	1.2
503.14166	17.7
504.14523	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1203
Annotation	Germanaism A
Peak:m/z	Relative Intensity
57.03447	4.2
58.00598	1.0
59.01390	37.0
61.98843	2.8
67.01900	1.8
71.01390	25.8
71.39622	1.0
71.55647	1.6
72.99317	2.7
73.02950	8.8
73.65391	1.0
75.00884	5.8
77.03991	1.9
78.95914	1.3
79.01923	1.8
80.67812	0.9
83.01391	1.6
83.05048	1.5
84.95182	1.2
85.02961	34.4
86.03318	1.3
87.00876	3.9
89.02458	47.6
93.03430	1.9
93.44613	0.9
95.01392	2.0
96.96024	1.5
97.06614	0.9
99.00895	11.6
101.02464	13.4
103.00376	1.2
108.44922	0.9
109.02951	1.1
111.00877	1.9
113.02467	11.3
117.03488	13.2
119.03484	2.4
119.05033	2.2
121.02972	3.9
125.02482	2.0
129.01915	3.7
130.08763	11.5
131.03508	4.3
131.09125	2.8
134.03722	1.4
135.04544	2.6
143.03481	1.2
147.03038	6.2
147.04576	1.8
148.01732	1.1
149.02463	2.9
149.04579	15.1
159.04495	1.9
159.08049	1.1
161.02507	5.6
161.04539	2.9
163.00410	1.8
163.04008	4.0
173.05942	1.1
173.13362	1.9
175.02576	1.5
175.04025	3.1
177.01833	1.3
179.03548	1.4
179.05664	1.1
179.10805	2.4
185.02475	1.1
187.07579	2.7
189.05577	2.4
190.05038	1.4
191.02023	7.2
191.03606	2.4
191.05600	4.5
193.01524	1.4
203.03542	2.7
205.05083	6.6
206.05426	3.6
207.05656	3.3
209.02980	1.3
209.08209	3.0
215.03625	1.4
216.03688	1.2
223.09796	1.9
227.03676	1.2
231.10262	3.6
233.04561	4.8
234.04927	5.8
235.05069	3.4
239.07118	1.4
245.04509	3.0
246.04868	2.7
247.05342	1.2
249.06160	6.7
253.05086	1.6
253.14491	1.5
268.03790	1.7
269.04602	5.9
281.04608	13.0
282.05270	5.3
283.06168	26.6
284.06393	1.2
293.04507	5.0
295.06226	4.2
297.04053	2.4
298.04849	8.5
309.03879	1.2
311.05676	54.5
311.09146	1.8
312.05960	4.8
313.07059	1.8
314.04391	1.3
323.05612	15.1
323.09256	3.5
324.05856	1.4
325.07303	1.4
326.04221	2.7
336.08002	1.1
339.08835	2.4
340.09042	3.0
341.06262	16.5
341.12512	1.6
342.06812	2.0
353.06653	3.0
371.07867	1.3
371.13132	1.2
413.08820	100.0
414.09229	8.0
443.09537	1.9
443.94598	1.0
459.19318	1.1
465.22214	1.8
502.26401	4.3
503.12317	25.7
503.21347	28.3
503.26730	4.7
504.12314	3.0
504.21829	1.8
506.60406	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.12
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47209	0.7
53.74801	0.6
55.01876	1.2
57.03465	3.3
58.00595	0.8
59.01387	36.8
61.98820	1.9
65.00348	0.6
71.01014	1.2
71.01387	18.6
71.02477	1.3
72.99293	1.5
73.02959	6.1
75.00862	2.3
81.03445	0.8
83.01390	2.8
84.02187	0.8
85.02960	20.0
87.00877	2.2
87.04491	0.7
89.02454	8.5
93.03463	1.8
95.01389	2.2
95.51163	0.7
96.96000	1.7
97.02982	0.8
97.06583	1.1
99.00880	3.8
99.04522	0.9
101.02452	11.4
101.75962	0.7
107.01421	0.8
109.02975	0.8
110.25240	0.6
111.00925	0.7
112.12145	0.7
113.01728	0.9
113.02467	10.4
119.03471	1.7
119.05032	0.9
125.02461	2.5
127.07657	1.1
129.01945	1.4
131.03513	1.8
133.02953	0.9
137.02441	2.6
140.51984	0.8
143.03566	0.9
147.02980	1.2
149.04572	1.9
151.00345	1.2
159.02960	1.3
161.04588	6.4
162.67262	0.7
163.03865	0.8
165.09081	0.8
179.03479	1.0
183.04517	1.2
191.01997	3.2
191.05614	0.8
209.06403	0.6
209.08163	3.7
209.15492	1.2
211.03964	0.8
227.03464	1.5
233.06534	0.9
243.03038	1.1
249.06200	2.0
253.05067	0.7
253.14586	1.1
255.03009	87.8
256.03397	6.0
269.04590	4.3
271.02499	2.5
281.04599	2.6
283.02512	62.5
284.03238	19.6
285.03848	2.4
297.04062	11.6
298.01569	0.7
298.04825	12.8
299.02026	7.6
299.05618	16.3
299.09137	1.0
300.05859	1.2
313.03448	2.5
353.10147	1.2
357.13336	0.9
371.20746	10.4
443.19308	2.3
452.65955	0.7
488.09634	17.8
489.10059	1.3
502.34717	1.8
503.12051	100.0
503.25742	17.5
504.12381	10.1
504.24786	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
61.98838	100.0
71.54730	1.0
77.24220	1.1
83.33930	1.0
145.36879	0.9
145.76369	0.9
171.10234	3.3
172.30634	1.1
188.92368	1.0
203.07204	3.4
215.12863	4.7
231.12396	3.1
245.15555	4.1
296.74731	1.0
303.16122	1.2
379.19238	7.1
407.18695	14.6
408.18918	1.3
439.21219	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
59.01385	100.0
60.01723	1.0
61.98856	0.8
69.48430	2.9
71.01387	2.7
73.02956	0.9
83.01393	0.6
83.52734	0.4
85.02965	1.9
87.87546	0.4
89.02488	1.3
98.19913	0.9
101.02451	1.9
111.00895	0.4
113.02509	1.2
119.03527	0.7
119.05009	2.3
129.02022	0.4
161.04562	0.6
186.03273	0.8
203.72420	0.4
206.24924	0.5
237.14987	0.7
271.06323	1.1
297.66101	0.4
339.12640	1.6
343.12064	1.0
359.34274	0.5
381.13632	1.8
501.17694	2.8
501.30536	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	501.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01732	0.5
60.30705	0.4
69.07307	0.4
69.48035	2.3
69.48449	0.8
71.01385	0.7
72.65488	0.5
80.10260	0.4
85.02960	0.5
85.60387	0.5
130.08786	0.9
153.56900	0.4
161.04604	0.5
187.50711	0.4
219.20818	0.4
256.54929	0.4
340.21481	0.8
370.60745	0.5
395.93790	0.4
399.23953	0.7
438.87146	0.4
441.25110	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.178
Annotation	Syringylresinol diacetate
Peak:m/z	Relative Intensity
57.03456	11.1
59.01388	57.8
61.98832	3.9
69.03461	5.3
69.24733	12.6
70.83170	1.3
71.01395	10.4
73.02940	2.6
78.91869	6.5
83.01413	3.5
85.02962	27.2
85.06603	2.1
86.03269	1.4
87.00909	1.5
89.02457	4.9
90.61406	1.1
93.03436	1.5
95.01426	1.6
95.05029	15.8
96.96025	3.9
98.19405	1.1
98.20628	2.4
98.34110	1.3
99.00853	2.0
101.02464	6.3
109.02978	1.2
111.00898	1.8
111.04556	3.0
113.02456	4.7
113.06129	3.9
117.03474	2.4
119.03619	1.2
119.05044	31.5
120.08225	8.6
121.02981	17.9
123.04530	1.2
125.02483	1.4
129.01953	8.5
129.05609	7.8
132.98123	1.2
133.05086	1.5
134.03764	4.7
134.06119	10.3
138.05603	1.2
145.02972	4.0
146.08408	1.4
147.03017	7.8
150.03250	1.6
151.00336	1.7
157.05095	12.1
160.01700	2.8
161.02542	6.0
163.04041	17.1
164.07207	15.3
165.05579	2.1
175.04051	3.6
177.02109	1.4
177.05606	6.2
178.05135	5.6
179.03651	1.4
183.13974	1.6
186.03271	15.7
187.04013	1.6
191.02029	3.9
192.06740	1.8
193.05077	4.9
201.05608	9.6
206.08325	1.7
220.06320	1.3
265.08463	3.9
267.06906	1.8
270.05334	2.6
271.06180	2.4
277.12338	2.1
283.08774	2.6
285.07837	3.3
303.13577	2.1
307.07855	1.3
318.30765	1.4
323.07809	4.3
325.10007	3.0
328.09631	7.1
337.09430	4.7
339.11871	2.0
340.10379	5.0
341.10339	2.3
343.11899	40.1
344.12308	2.9
353.10272	6.2
369.31204	1.3
371.11493	4.7
473.18225	18.3
501.17749	100.0
502.17987	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	501.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17196	2.3
57.03453	16.0
57.49192	2.6
59.01121	2.6
59.01388	43.0
62.65713	2.1
67.36410	2.7
69.03462	6.6
71.01401	13.5
79.18361	2.4
83.01401	100.0
85.02959	6.4
85.06591	5.5
89.02459	3.4
95.05031	12.9
101.02466	2.7
101.11693	2.6
110.00092	3.3
110.58571	2.4
111.00873	9.2
111.04539	2.9
113.02430	3.6
113.06087	6.4
117.03433	3.0
119.05041	41.6
121.03130	3.2
125.02422	2.9
129.05597	68.5
130.05901	3.5
132.05783	9.5
133.06564	3.0
134.03772	3.9
137.02391	2.7
143.05045	3.4
145.03000	4.4
157.05070	32.3
159.04475	8.1
161.06030	3.0
172.05208	3.2
175.07698	12.7
177.05563	12.5
185.04588	8.0
186.03185	10.4
187.03951	7.2
197.06100	4.6
199.06061	3.3
201.05559	10.9
215.03531	2.9
226.06349	7.5
229.15315	3.6
231.06538	3.2
234.41487	3.0
241.04919	3.6
241.08751	5.4
255.02979	20.1
255.06654	3.8
256.03790	12.2
257.04565	6.0
257.08115	4.8
261.07675	3.2
271.06137	27.5
283.02463	26.0
283.05792	5.2
284.03226	10.3
315.12476	9.2
323.11392	4.0
327.12381	4.1
343.11914	23.1
345.09756	9.7
359.11340	10.3
360.12149	11.1
367.80228	3.0
369.13385	7.1
371.11240	7.1
381.13422	14.3
388.11691	10.9
411.14346	5.9
413.12119	3.0
424.95837	3.1
457.18750	16.8
458.18997	3.4
473.18060	9.9
501.17654	52.0
501.24280	6.9
501.30484	4.7
502.17984	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	501.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	22.2
59.01387	68.8
61.98836	7.1
65.00320	4.7
67.01896	2.5
69.03445	13.2
70.10250	6.8
71.01392	16.7
71.05042	2.3
76.76682	2.2
78.81010	2.1
78.95881	2.7
80.02682	3.4
83.01398	95.0
85.02953	7.3
85.06602	9.0
87.00885	3.1
87.04498	6.9
89.19541	2.2
93.03478	3.6
95.01406	3.3
95.05030	16.3
97.02932	3.2
98.35371	2.3
99.00848	3.6
101.02461	7.2
105.35301	2.5
107.01389	5.2
109.02896	2.8
109.06609	2.8
110.00117	4.1
111.00893	13.7
111.04521	6.6
113.02473	3.1
113.06161	3.8
117.03474	4.0
119.05036	56.3
121.02959	3.6
129.05595	100.0
132.05835	10.8
133.06665	5.1
137.06084	4.7
141.01682	3.2
143.05055	3.8
145.02945	5.4
149.06058	2.9
151.00386	8.1
157.05089	32.7
159.04494	10.1
160.84198	9.2
161.04491	2.9
162.83939	14.7
165.05536	2.7
169.06737	2.6
171.10368	3.5
175.07690	16.6
177.05582	7.5
185.02426	3.1
185.04549	5.6
186.03267	15.6
187.03938	5.8
187.11288	7.2
189.05159	2.5
197.06119	2.6
199.06161	2.8
201.05551	11.6
201.11220	3.2
213.05553	3.8
214.06244	2.6
215.03481	5.7
219.06587	13.5
226.06342	7.1
229.05031	2.4
231.06662	4.0
238.18141	2.6
241.05034	2.6
241.08636	4.1
255.06805	2.8
256.03922	14.6
257.04565	6.1
257.08316	8.9
268.07626	2.7
271.06131	47.2
272.06485	3.9
299.12692	3.4
301.07462	3.6
301.10751	3.7
301.24808	2.5
315.12415	7.7
323.11108	2.9
327.12247	5.8
329.10446	3.2
339.12402	66.4
339.25305	2.7
340.12738	4.8
343.11841	20.6
345.09915	9.9
359.11435	8.9
360.12100	8.0
369.13510	6.2
371.11380	13.3
385.12656	2.9
388.11612	18.7
413.12289	6.5
457.18622	16.8
473.18414	12.0
501.17728	91.4
501.30124	22.6
502.18079	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	501.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15172	1.0
53.25585	0.8
57.03444	3.5
59.01389	11.1
60.01718	0.9
61.98842	6.3
62.49711	0.8
69.27605	1.9
69.28001	5.1
71.01375	4.8
72.61655	0.7
73.02962	1.4
74.06313	0.8
75.00863	1.4
79.85404	0.9
82.95453	0.9
83.01369	1.0
85.02962	42.7
89.02454	3.1
95.01398	1.7
95.05025	0.9
96.96017	1.6
98.19913	1.4
101.02451	21.7
101.06102	0.8
111.00858	1.3
113.02464	2.3
119.05060	1.0
121.02958	2.8
123.04518	0.8
123.99409	0.8
125.02409	1.2
129.01959	100.0
130.02319	2.0
133.02977	2.0
134.06114	1.8
145.02939	1.1
147.02997	13.2
147.04475	2.2
148.03389	1.0
149.04524	1.0
151.00342	1.1
151.07678	1.0
163.03946	1.1
167.03621	0.9
174.03113	1.0
180.58076	0.9
183.13872	2.5
191.01938	2.1
191.03496	15.1
192.04094	1.2
197.17857	0.8
209.12042	0.8
211.07556	1.0
221.06013	1.2
239.07074	2.0
249.05798	1.7
250.06482	0.9
251.07037	4.1
263.07010	1.8
264.07889	1.0
266.05920	0.9
267.06714	7.8
268.07034	1.1
279.06674	6.2
282.08932	4.5
294.05380	2.5
294.09061	2.2
295.06033	1.6
297.07751	8.5
297.11023	1.5
298.08081	0.9
301.16534	3.0
307.06183	1.1
309.07657	3.2
310.08304	1.3
311.05609	0.9
318.79388	0.9
321.07861	0.9
322.08432	1.5
323.05637	6.6
326.07919	3.0
338.07968	6.4
340.10529	1.4
341.10312	14.4
342.10715	1.9
343.11707	1.2
353.10327	28.7
354.10599	2.8
371.11285	8.1
411.13016	0.9
500.32922	2.2
501.17624	5.9
501.33749	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1771
Annotation	Phellodensin F
Peak:m/z	Relative Intensity
53.90714	3.1
55.54753	2.7
57.03460	19.1
59.01384	28.4
60.02151	3.1
67.72902	3.5
69.03452	8.2
71.01387	12.8
71.86072	3.3
78.95961	3.8
83.00921	6.5
83.01399	91.4
85.02945	5.0
85.06587	13.3
95.01419	4.2
95.05038	18.1
111.00877	12.5
111.04510	3.6
113.06105	4.3
117.03462	3.8
119.05042	56.5
129.05594	100.0
130.55397	3.5
132.05812	7.4
133.06651	7.0
139.88730	3.4
143.05083	5.6
145.02979	4.7
151.07675	6.1
157.05069	44.7
159.04521	6.6
162.83904	11.3
172.05280	6.1
175.07602	18.5
176.01146	5.7
177.05566	10.7
185.02582	4.3
185.04523	6.2
185.06058	5.8
186.03305	17.4
187.04007	8.8
197.06061	3.7
200.19312	3.6
201.05632	11.9
203.07137	6.0
215.03534	5.5
219.06610	28.0
226.06361	8.5
231.06728	4.3
256.03799	12.2
257.04572	4.7
257.08176	12.5
266.09680	4.0
271.06134	33.5
283.06345	5.3
299.12885	4.6
301.07184	3.9
311.08905	4.1
315.12375	9.0
323.11444	8.9
327.12408	7.1
328.12570	3.9
329.13168	4.6
339.12433	49.4
340.12668	6.4
343.12064	22.0
345.09738	10.0
359.11356	13.5
360.12164	5.9
369.13431	7.3
371.11356	13.8
388.11658	12.5
389.12057	4.6
457.18646	15.6
473.18195	5.7
501.17502	49.2
501.30585	9.1
502.18149	5.8
529.36969	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	501.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
55.30762	0.9
57.03456	8.5
59.01386	56.5
61.98835	2.8
69.46673	1.8
69.47087	5.6
71.01385	24.9
72.99327	11.5
73.02969	2.6
75.00880	13.8
78.95941	1.4
83.01396	1.5
85.02958	33.5
87.00888	8.1
89.02455	8.3
89.66482	1.0
91.04028	2.4
95.01389	5.0
96.95988	1.7
97.02970	1.6
98.20662	1.9
99.00896	11.5
99.04548	4.0
101.02467	3.6
103.00379	3.1
106.80478	0.9
111.00910	2.9
113.02464	39.7
117.01974	2.3
119.05058	4.7
125.02464	1.6
127.04065	1.5
129.01973	3.0
131.03546	1.5
137.02472	2.3
139.00400	2.5
145.94722	1.0
147.04558	19.0
147.44876	1.0
157.01398	2.8
164.45337	1.0
165.05583	20.4
175.02451	1.5
186.59727	1.1
189.05598	6.2
191.02031	1.8
193.03555	9.8
205.07222	5.2
226.58884	1.0
231.05171	1.3
238.08487	3.0
247.08247	1.8
249.06143	10.9
253.10916	5.0
263.07779	1.1
267.07242	100.0
268.07559	3.9
291.07269	25.2
309.08234	6.8
335.06241	39.3
336.06726	2.4
349.93951	1.1
381.06000	1.0
386.62408	1.0
501.10596	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	501.1259
Annotation	Daphneside
Peak:m/z	Relative Intensity
51.03043	0.7
51.90279	0.6
57.03449	1.2
59.01387	2.6
60.18012	0.7
69.03438	1.0
69.27430	0.8
69.27831	5.3
71.01397	1.7
77.92654	0.6
78.95912	1.4
83.01390	0.9
85.02960	8.5
96.96023	3.6
96.96964	2.9
99.00898	1.5
101.02424	1.4
109.02966	9.4
110.82428	0.7
111.00860	2.1
119.05051	1.0
121.02914	0.9
123.04496	0.7
124.01656	0.8
125.02474	4.7
131.30580	0.6
133.02950	3.3
134.03748	0.7
135.04541	7.5
137.02451	1.7
145.02966	1.3
146.03761	0.9
147.03043	1.4
147.04532	10.1
148.05338	8.0
149.06100	20.4
151.00388	0.7
159.04530	2.1
160.05211	1.2
161.02505	3.3
161.04773	1.1
161.06081	9.0
162.03185	1.0
163.04016	2.7
163.07568	1.3
165.05664	1.1
173.02412	0.8
173.06071	3.6
174.03308	3.3
175.02553	1.1
175.04021	12.4
176.04771	3.6
177.01945	4.1
177.05574	2.7
179.03482	1.1
185.04550	1.7
185.06122	1.0
187.03918	0.8
188.04842	1.2
189.05576	24.3
190.05933	1.6
191.01970	4.1
191.03548	2.4
191.07167	10.3
193.05077	3.4
203.07086	4.9
205.05078	4.5
207.06622	0.6
209.02997	2.5
215.07155	1.0
217.03091	1.4
217.05070	21.3
219.02942	7.0
221.04585	4.5
235.06117	10.1
237.04041	8.4
247.06117	1.1
251.09273	1.3
259.06076	1.2
277.07300	3.0
279.05099	7.2
295.08218	11.1
296.08380	0.8
303.05194	0.7
339.07217	100.0
340.07617	6.3
379.30447	0.9
441.10126	1.0
501.12509	6.2
502.13504	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30296	0.4
55.99296	0.4
57.03464	0.8
58.56224	0.4
58.74192	0.4
59.01387	100.0
59.24563	0.4
60.01748	0.8
61.98842	3.8
69.11500	0.4
71.01395	5.3
71.55486	0.8
72.99343	1.0
73.02962	1.3
75.00880	2.5
83.01427	0.6
85.02958	5.6
87.00900	1.4
89.02441	2.8
95.01397	0.7
99.00933	1.2
99.04518	1.0
101.02470	2.0
113.02455	5.7
119.03490	1.3
119.04987	0.4
125.02460	1.1
127.07634	0.7
129.02013	0.8
131.03510	0.6
137.02463	0.5
137.06151	0.5
161.04639	0.6
161.13431	1.0
205.12303	1.2
211.29922	0.6
232.20549	0.5
249.06297	2.7
259.13263	0.5
267.07248	6.2
283.02829	0.5
297.84219	0.5
309.04266	0.5
339.48013	0.5
375.19650	0.5
455.19345	2.8
499.08813	0.7
499.18546	3.9
499.33926	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	500.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.2
61.98840	100.0
71.01405	0.9
71.54367	0.7
71.54751	0.5
72.13382	0.5
78.95948	0.5
85.02975	0.9
89.02488	0.4
96.96071	0.5
96.96943	0.6
101.02466	0.7
113.02487	0.4
183.97603	0.5
204.18555	0.5
249.11212	1.3
250.11580	0.8
261.82712	0.4
268.11215	0.7
416.41281	0.5
481.63455	0.5
500.22049	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	501.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	76.9
59.31080	0.6
60.01720	0.8
61.25255	0.6
61.28295	0.5
69.45889	3.6
70.20992	0.6
72.99311	0.6
90.97152	0.9
97.59595	0.5
98.93709	0.6
109.49554	0.5
117.40418	0.6
118.48628	0.6
132.98227	1.2
134.97044	1.1
142.73952	0.6
157.03601	3.2
159.01511	0.7
174.97729	1.3
174.99252	22.7
178.91618	0.5
186.08498	0.6
201.02563	31.0
202.02701	1.9
217.00313	100.0
218.00644	2.3
250.95258	0.8
253.91512	0.5
276.98181	2.2
292.96231	1.2
334.97299	0.7
343.03735	2.0
359.01495	59.6
360.01736	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	501.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.4
57.03456	8.5
59.01385	53.0
61.98829	2.2
63.81733	1.2
69.03470	2.3
69.09658	1.3
69.37865	5.2
69.38288	5.4
71.01387	24.2
72.99308	11.5
73.02933	1.9
75.00875	10.4
75.09088	1.4
83.01386	3.1
85.02959	52.1
85.03477	2.5
87.00860	9.9
89.02460	8.0
95.01405	5.7
96.96018	1.4
99.00880	9.7
101.02472	2.4
103.00360	4.4
111.00893	3.9
113.02467	40.5
114.02736	1.4
115.00335	2.0
117.01955	3.1
119.05019	11.7
125.02425	2.0
129.01967	7.8
131.03467	2.7
145.02971	2.3
146.81038	1.3
147.02995	6.2
147.04541	17.7
159.02956	1.4
163.04002	10.0
165.05589	19.4
175.02547	1.8
189.05591	6.2
191.01976	8.8
193.03519	8.9
205.07214	7.5
209.03023	4.5
247.08107	1.9
249.06218	12.9
253.10892	2.8
267.07230	100.0
268.07568	4.6
278.47794	1.5
291.07217	23.2
298.04614	1.5
309.08273	5.8
335.02072	2.7
335.06226	44.1
336.06424	2.0
463.09177	1.5
501.10608	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	499.196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84055	0.6
56.00496	0.5
57.03450	2.1
59.01387	4.0
59.15451	0.6
61.98833	1.0
71.01399	4.9
71.55266	0.6
72.99318	0.7
73.02965	1.1
85.02959	14.4
87.00847	0.9
89.02473	1.4
93.03468	1.1
99.00851	0.9
101.02448	2.5
113.02463	1.4
117.03483	10.9
119.05064	1.6
128.03494	0.9
129.01979	2.0
131.05049	0.7
133.01443	0.8
133.09914	0.5
137.02440	0.7
143.04997	0.7
145.03047	0.9
147.02997	1.2
149.02480	0.9
157.06261	0.7
159.04541	0.8
161.02480	3.9
161.04596	1.2
163.00339	1.1
163.04048	0.8
173.02411	0.7
175.03990	3.0
177.01924	2.5
187.03970	1.4
188.01158	0.6
189.01918	6.2
191.02080	2.9
191.03439	0.7
201.01974	1.4
202.99774	0.6
203.03458	1.8
204.00748	0.9
205.01451	2.7
207.08084	0.7
209.03061	9.3
215.03525	1.3
217.01462	7.5
223.07701	1.0
225.81000	0.6
231.02888	1.2
235.07701	1.3
237.05521	0.7
247.02554	0.6
249.05717	1.4
251.07100	1.6
257.01013	1.0
259.02502	4.7
261.00446	1.4
263.07059	1.5
265.05167	1.4
267.06769	2.5
279.06570	1.6
281.04651	1.5
293.04584	1.3
293.16214	1.0
294.05380	1.7
295.06168	6.3
305.07910	0.8
306.04974	0.7
307.06165	18.5
307.17599	0.9
308.03204	1.1
308.06537	1.4
309.07721	0.9
319.06198	1.1
321.04080	4.0
322.04651	3.1
323.05609	6.8
334.04971	1.0
335.05469	2.1
337.07147	3.2
349.07120	3.4
350.04404	1.6
351.05118	11.1
352.05521	1.2
353.06873	1.3
363.05209	3.9
379.04575	2.5
381.06146	2.5
439.22137	2.5
463.21866	8.1
471.02869	1.0
471.09366	17.2
472.09775	1.1
499.08899	100.0
499.19376	8.1
500.09271	12.0
500.20142	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55353	0.5
59.01387	100.0
60.01745	0.6
61.98840	25.8
70.49886	1.6
71.01395	1.3
73.02974	0.9
75.00895	0.4
85.02985	1.1
89.02424	0.5
101.02459	1.1
113.02476	0.6
113.55363	0.5
119.05051	0.6
125.02478	0.6
141.74275	0.6
163.54593	0.4
165.01811	0.6
202.82689	0.5
207.10358	0.6
276.20569	0.5
341.22250	0.6
347.31464	0.5
350.56018	0.5
499.16217	0.6
499.23267	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27826	1.3
51.70561	1.5
57.03445	2.7
57.90984	1.3
59.01111	2.4
59.01387	29.8
61.98840	9.4
63.60228	1.3
69.99957	2.3
70.00366	5.1
71.01386	11.7
71.64526	1.3
73.02942	2.4
75.00861	2.5
80.91688	6.9
83.01389	1.8
85.02960	15.2
85.06567	2.0
87.00885	2.0
89.02464	8.1
97.06591	2.0
98.19921	1.5
99.00906	3.2
101.02445	4.7
113.02492	7.4
115.04022	1.8
119.03512	2.6
127.07652	4.0
129.01938	2.3
135.08110	1.4
136.05368	1.4
151.07642	5.9
163.04138	1.8
165.12852	5.2
183.13911	100.0
184.14236	3.3
191.01939	2.1
209.11810	2.3
227.12880	4.9
249.06169	2.8
267.07169	3.0
301.16589	98.0
302.16989	7.9
311.18561	1.4
377.75522	1.6
382.06583	1.6
445.24527	4.0
455.33688	4.0
463.25336	1.5
481.31567	4.2
499.18735	7.0
499.32944	23.4
500.33740	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	499.196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84055	0.6
56.00496	0.5
57.03450	2.1
59.01387	4.0
59.15451	0.6
61.98833	1.0
71.01399	4.9
71.55266	0.6
72.99318	0.7
73.02965	1.1
85.02959	14.4
87.00847	0.9
89.02473	1.4
93.03468	1.1
99.00851	0.9
101.02448	2.5
113.02463	1.4
117.03483	10.9
119.05064	1.6
128.03494	0.9
129.01979	2.0
131.05049	0.7
133.01443	0.8
133.09914	0.5
137.02440	0.7
143.04997	0.7
145.03047	0.9
147.02997	1.2
149.02480	0.9
157.06261	0.7
159.04541	0.8
161.02480	3.9
161.04596	1.2
163.00339	1.1
163.04048	0.8
173.02411	0.7
175.03990	3.0
177.01924	2.5
187.03970	1.4
188.01158	0.6
189.01918	6.2
191.02080	2.9
191.03439	0.7
201.01974	1.4
202.99774	0.6
203.03458	1.8
204.00748	0.9
205.01451	2.7
207.08084	0.7
209.03061	9.3
215.03525	1.3
217.01462	7.5
223.07701	1.0
225.81000	0.6
231.02888	1.2
235.07701	1.3
237.05521	0.7
247.02554	0.6
249.05717	1.4
251.07100	1.6
257.01013	1.0
259.02502	4.7
261.00446	1.4
263.07059	1.5
265.05167	1.4
267.06769	2.5
279.06570	1.6
281.04651	1.5
293.04584	1.3
293.16214	1.0
294.05380	1.7
295.06168	6.3
305.07910	0.8
306.04974	0.7
307.06165	18.5
307.17599	0.9
308.03204	1.1
308.06537	1.4
309.07721	0.9
319.06198	1.1
321.04080	4.0
322.04651	3.1
323.05609	6.8
334.04971	1.0
335.05469	2.1
337.07147	3.2
349.07120	3.4
350.04404	1.6
351.05118	11.1
352.05521	1.2
353.06873	1.3
363.05209	3.9
379.04575	2.5
381.06146	2.5
439.22137	2.5
463.21866	8.1
471.02869	1.0
471.09366	17.2
472.09775	1.1
499.08899	100.0
499.19376	8.1
500.09271	12.0
500.20142	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54921	1.4
55.01907	1.4
57.03447	1.6
59.01389	15.9
61.98830	2.8
63.72926	1.3
69.25306	2.4
69.25711	9.8
71.01394	4.2
85.02953	5.9
89.02462	1.7
96.96024	5.0
100.58369	1.3
113.02443	1.8
121.64510	1.4
127.07591	1.5
128.03487	1.6
129.02013	1.3
130.92743	1.3
151.07726	1.5
165.12881	6.9
170.94186	1.2
183.13919	100.0
184.14262	3.6
209.11880	3.4
227.12863	5.6
227.21773	1.6
267.07227	2.2
301.16589	99.8
302.16898	6.4
481.31793	2.2
499.19473	4.6
499.32648	4.1
500.19995	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	499.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33765	2.3
57.03461	3.4
57.13879	2.6
59.01386	22.8
61.96909	2.4
70.67398	4.2
70.67725	5.3
71.01389	21.1
73.88102	2.5
83.65386	2.7
85.02969	29.7
86.02516	5.4
87.00883	20.0
89.02464	12.1
96.96014	12.2
99.00887	7.6
101.02444	6.6
113.02469	7.9
121.05302	3.1
122.06142	20.6
124.04060	6.9
125.02448	8.4
134.06134	13.4
136.07669	13.6
139.48436	2.8
147.03046	3.8
147.05656	7.1
149.04840	8.9
160.07689	5.1
161.04791	3.7
162.05643	2.7
163.06357	3.8
164.07175	32.2
172.06433	5.0
174.09229	7.0
177.10373	19.2
181.71567	2.6
187.08817	5.6
189.06667	5.2
191.01996	8.7
200.10925	3.4
201.10323	21.8
202.08737	7.5
202.10501	2.4
209.03040	3.6
211.08890	4.0
215.11880	3.8
216.10492	2.7
218.10529	3.0
219.11392	26.2
225.10341	5.4
227.08234	14.1
228.08974	4.2
229.09843	45.4
233.09366	3.2
239.08319	5.5
240.09081	7.8
241.09843	16.2
242.07077	4.4
242.10670	16.7
243.02986	6.6
243.11374	36.0
245.09331	10.6
247.10825	16.5
252.09058	5.1
253.09821	32.0
255.07643	4.1
255.11411	11.1
257.09375	11.9
259.10898	20.5
270.10071	29.8
271.10892	93.1
272.11334	8.7
273.08859	6.1
273.12518	7.6
277.11954	79.0
278.12326	3.5
283.10947	41.8
289.11957	5.1
300.11163	18.9
301.11960	87.8
302.12375	6.2
319.13187	16.3
381.16748	5.0
382.15430	4.3
433.16156	67.2
434.16568	4.6
439.09171	4.2
445.16098	5.6
451.17291	11.5
463.17255	100.0
464.17419	7.7
469.18021	4.3
481.18320	89.4
482.18433	8.0
488.04205	2.9
499.11786	4.3
499.19427	92.9
500.19742	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	499.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	5.3
59.01376	5.4
69.66100	6.4
71.01388	10.2
72.99316	1.3
75.00869	1.5
82.02984	5.1
83.33140	1.1
85.02963	44.4
85.04074	34.4
86.02437	1.3
87.05640	11.9
88.04057	5.9
89.02432	1.7
96.99927	5.7
98.20695	1.9
109.04088	1.8
111.01999	2.1
113.03579	3.4
125.03066	2.4
126.02911	1.4
126.03848	28.3
127.05133	2.5
128.03558	69.7
129.01939	3.6
129.03867	1.9
133.01424	3.9
135.05663	7.7
147.03004	4.3
151.05110	1.3
152.08304	8.8
152.97992	1.1
153.06683	3.4
155.89578	1.3
157.06195	42.3
158.06516	1.3
159.07741	3.6
178.06203	6.4
179.04651	8.7
182.97102	1.1
184.04892	3.8
191.01985	13.3
196.07277	15.7
197.05748	2.8
209.03056	51.6
212.07448	2.9
214.08302	2.5
224.10425	2.2
242.11473	1.4
250.21080	1.8
259.07608	1.2
268.09430	12.7
269.79819	1.3
286.10471	27.7
307.11783	1.3
332.51181	1.3
370.14371	12.5
481.17624	11.8
482.17935	1.6
499.18723	100.0
500.19131	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	499.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.6
59.01372	5.5
61.98836	7.1
70.36249	2.7
70.36651	2.3
71.01394	13.2
72.99342	1.4
73.97070	1.9
75.00871	3.1
82.02986	4.9
84.04509	1.2
85.02957	15.0
85.04080	30.7
87.00876	1.8
87.05643	12.9
88.04043	6.0
89.02436	2.0
92.00946	1.3
94.06589	1.8
96.96031	3.1
96.99928	5.2
99.00858	1.4
99.04530	1.9
100.77340	1.1
111.02011	2.0
113.02448	3.4
113.03581	3.0
117.01276	2.5
119.05001	3.0
121.56361	1.2
126.03852	17.5
127.05146	2.9
128.03555	64.3
129.01942	3.3
135.05649	6.3
152.08298	9.3
153.06706	3.9
157.06197	46.4
159.07770	3.0
162.26588	1.2
163.04042	2.5
173.00967	1.5
178.06308	4.0
179.04662	8.6
184.05051	2.7
191.01999	5.0
196.07268	17.6
197.05693	3.1
209.03050	6.7
212.07364	2.3
214.08429	2.1
214.98323	1.1
224.10532	2.9
232.08134	1.1
249.06184	3.8
267.07230	6.6
268.09418	16.9
284.10666	3.6
286.10510	21.5
370.14511	10.4
413.14984	17.6
455.19650	5.0
481.17566	12.3
482.17877	2.6
489.12741	1.2
499.18726	100.0
500.19095	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	499.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47657	0.8
55.01868	1.1
57.03447	4.3
57.76273	0.7
58.00576	1.1
59.01389	42.7
61.98839	4.5
67.01881	0.9
68.99823	2.4
69.03461	1.5
69.30336	1.8
69.30733	7.0
71.01392	27.4
71.01783	1.4
72.35955	0.8
72.99319	5.7
73.02946	2.9
73.14566	0.8
73.19503	0.8
75.00882	20.8
81.03500	1.0
81.30324	0.8
83.01405	1.5
85.02963	33.0
87.00893	8.8
89.02459	8.5
91.04021	0.9
93.03458	1.1
95.01406	7.4
95.05031	1.2
96.96001	1.0
97.06596	1.9
99.00891	10.7
99.04523	2.2
100.71178	0.8
101.02435	3.3
101.04095	0.8
103.00372	2.9
109.02995	0.9
111.00877	2.3
112.01637	1.0
112.73634	0.8
113.02469	40.2
115.00357	2.1
117.01948	3.6
127.07693	1.3
129.01939	3.5
151.07687	1.4
157.01395	1.2
161.04567	0.9
161.13387	10.1
175.02495	2.7
179.21024	0.9
187.11325	2.5
193.47411	0.8
205.07104	2.4
205.12401	8.9
207.05061	1.9
231.05063	1.5
249.06184	28.0
249.11333	1.9
250.06696	1.2
256.03897	0.9
267.07239	100.0
268.07507	5.7
297.17020	1.7
311.18646	1.6
455.19290	25.6
455.25247	0.9
456.19553	3.0
481.31537	1.7
499.18182	34.1
499.33261	6.5
500.18463	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	499.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
57.03441	3.9
59.01387	62.4
60.37587	0.8
61.98824	1.9
62.95028	0.8
67.01913	1.1
69.03484	1.0
70.89551	2.1
71.01014	1.8
71.01390	28.0
71.05016	1.6
72.99320	7.2
73.02949	3.5
75.00881	19.2
83.01408	1.6
83.05061	0.9
85.02959	29.6
85.06598	1.2
87.00883	9.5
89.02458	7.6
91.04004	1.3
92.96355	1.0
93.14372	0.8
95.01404	7.0
97.06589	2.3
99.00899	10.5
99.04529	13.0
100.70735	0.9
101.02443	3.3
103.00403	2.2
107.05045	1.3
108.80333	0.7
111.04516	1.5
113.02464	38.5
113.06049	1.5
115.00406	1.4
117.01965	2.2
125.09758	2.8
127.07656	4.0
128.48886	0.8
129.01935	1.8
137.09711	1.3
141.05614	1.6
151.07661	4.0
157.01474	1.8
161.13380	12.0
162.13670	0.9
175.02472	2.7
187.11295	3.0
202.22757	0.8
205.07129	1.1
205.12340	9.5
207.04988	1.1
210.76709	1.0
222.47858	0.8
231.05194	1.3
249.06186	29.2
249.15080	2.0
250.06459	1.1
254.99809	0.8
267.07239	100.0
268.07538	4.0
275.12912	1.1
293.13968	7.4
307.67743	1.0
319.15567	1.5
400.86884	1.0
441.28650	4.8
455.19254	41.0
456.19498	3.1
481.31824	2.5
499.18082	16.8
499.33008	11.9
500.18011	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66235	1.2
57.03445	5.4
59.01387	100.0
61.98836	7.7
68.99813	2.1
69.03461	1.5
71.01390	31.5
71.54590	1.5
72.33735	1.3
72.99316	6.6
73.02950	5.1
75.00885	17.8
78.95927	2.0
79.55833	1.2
79.95736	1.4
83.01399	2.8
83.05062	1.2
85.02958	29.0
85.04083	5.1
87.00899	12.1
89.02446	11.7
89.65260	1.5
95.01386	7.0
95.05038	1.9
96.96021	21.8
97.03004	1.5
97.06613	1.3
99.00894	13.3
101.02454	5.6
103.00410	1.9
111.00900	1.5
113.02463	41.3
113.03261	2.1
113.06108	2.8
115.00402	1.5
117.01965	4.6
119.03500	2.1
119.16917	1.5
127.03985	1.8
127.07698	2.1
128.03551	6.1
129.01944	3.2
132.65569	1.4
137.02408	1.6
145.58688	1.3
151.07628	2.0
157.01421	1.6
157.06238	3.6
161.13403	11.4
175.02493	5.4
187.11249	3.6
193.03554	2.3
195.13707	1.7
205.07091	3.0
205.12363	10.8
231.05080	2.9
249.06172	23.6
250.06497	1.9
267.07230	73.0
268.07422	2.3
292.76697	1.5
309.08194	1.6
320.09213	3.3
321.09528	5.3
408.41812	1.5
437.18457	2.4
455.19305	35.8
455.33691	6.0
456.19409	3.1
481.17276	4.2
481.31860	2.1
499.18127	28.9
499.32541	16.3
500.18692	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	499.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98267	0.9
57.03446	3.7
59.01386	59.8
61.98838	6.1
67.01881	1.0
68.99815	2.0
69.03460	1.7
71.01390	28.8
71.55128	1.4
72.99311	6.0
73.02959	2.8
75.00882	20.2
83.01394	2.9
85.02962	32.7
87.00886	12.8
89.02454	9.3
93.30467	0.8
95.01396	6.7
97.06586	1.2
98.43262	0.8
99.00890	10.1
99.04577	1.5
101.02460	3.0
103.00374	3.2
107.05027	0.9
111.00905	1.0
113.02465	41.3
113.06101	2.6
115.00385	2.4
117.01931	3.5
119.03538	1.3
125.02448	1.2
128.03525	1.7
129.01947	3.8
129.03891	1.1
131.03511	1.2
135.04591	1.1
149.04536	1.0
157.01425	1.6
161.04590	1.2
161.13391	9.7
175.02487	3.1
180.16600	1.0
187.11290	3.4
205.07184	2.7
205.12338	11.1
213.21527	0.9
218.03741	1.3
231.05095	1.3
249.06181	30.0
250.06471	1.0
267.07230	100.0
268.07523	3.9
302.05301	0.8
320.09192	1.5
331.56244	0.9
455.19214	35.6
456.19641	3.6
490.84372	1.1
499.18124	21.2
499.32477	3.3
500.18536	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	499.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.7
59.01387	1.9
67.20942	0.7
71.01388	2.5
71.53977	0.9
78.95918	14.0
79.95739	3.3
85.02957	14.0
96.96022	100.0
96.96951	23.5
105.82659	0.6
114.27834	0.8
116.31984	0.7
125.02444	0.7
129.01958	1.4
142.29697	0.7
147.03043	1.5
152.20982	0.7
153.01956	0.6
163.04001	1.3
191.01990	5.7
197.73601	0.8
209.03018	7.2
218.76585	0.7
286.37537	0.7
289.07269	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63145	0.7
55.01878	2.1
57.03455	12.5
58.00624	0.6
59.01387	9.0
61.98837	0.8
68.87386	0.5
69.46244	3.6
71.01371	3.8
72.99318	1.2
73.02974	0.7
75.00900	1.4
82.52856	0.5
83.01413	1.4
84.02179	2.3
85.02961	100.0
86.03316	1.6
87.00871	1.0
91.35825	0.6
99.00894	0.8
103.00378	1.5
111.00926	0.6
113.02510	0.9
119.05018	0.6
120.19592	0.6
126.90421	4.5
129.01959	6.2
134.03760	1.3
135.04610	0.6
147.03021	10.6
151.07634	1.1
161.02477	0.6
163.04037	0.6
173.00912	0.7
177.01952	0.7
178.02687	2.3
191.01999	35.1
192.02298	0.8
203.38136	0.6
227.81671	0.6
314.87341	0.6
321.60837	0.6
481.31577	0.7
499.14932	1.0
499.32767	1.7
522.66321	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74229	0.6
53.19601	0.7
55.01874	1.2
57.03461	7.9
59.01385	7.8
61.98838	1.0
68.99834	1.0
69.62461	4.0
71.01394	12.0
72.99330	1.7
75.00895	1.5
83.01395	0.9
84.02182	1.3
85.02962	62.4
86.03302	0.8
87.00897	0.9
89.02469	4.8
96.95979	0.8
98.19888	0.7
101.02468	0.8
103.00391	1.8
103.41464	0.5
125.02525	0.8
129.01961	4.8
133.01440	5.3
142.50833	0.6
147.02991	5.0
187.07681	1.7
191.02010	17.2
202.06485	0.7
209.03056	100.0
210.03452	2.4
321.45230	0.8
341.85529	0.7
439.21921	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32262	0.6
55.01876	2.6
57.03457	13.5
59.01389	7.7
69.43597	4.6
71.01385	3.9
72.99308	1.3
73.02949	0.8
75.00876	1.2
83.01412	1.4
84.02180	1.8
85.02961	100.0
86.03287	1.8
87.00871	0.7
101.02460	1.5
103.00386	1.6
111.00858	0.8
129.01967	8.1
130.08795	2.7
134.03752	4.5
134.16794	0.5
147.03026	8.3
152.87378	0.5
154.92303	0.5
178.02837	1.0
191.01996	29.4
192.02356	0.9
211.26288	0.5
284.03159	0.7
299.05383	0.7
307.11926	1.8
393.10318	0.7
463.21967	5.3
499.19693	4.4
500.25726	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.8
55.39131	0.8
57.03199	1.1
57.03459	13.5
59.01145	0.9
59.01397	8.4
64.38618	0.8
69.05675	0.7
69.21793	3.0
69.22220	4.6
71.01374	5.2
72.99312	1.1
73.02970	1.0
75.00874	1.7
78.95947	1.0
83.01415	1.6
84.02183	3.5
84.34575	1.0
85.02964	98.5
86.03298	1.8
88.04068	1.3
89.02465	2.0
93.03471	0.9
96.96028	3.5
98.20692	1.8
101.02465	2.0
103.00404	1.2
113.02480	1.7
117.03485	11.1
118.03703	0.8
119.05056	2.5
120.97710	0.9
126.03922	0.8
129.01942	8.1
130.08681	1.1
133.02969	0.9
134.03743	4.0
135.04510	1.6
143.05026	1.8
145.02980	1.4
147.03027	10.6
147.04272	1.0
147.04594	1.0
148.96791	0.8
149.02437	1.1
159.04482	0.9
161.02426	4.2
163.03978	1.2
175.04025	3.8
176.01091	0.9
177.01950	3.5
187.04008	1.4
189.01936	8.7
191.02000	32.6
191.03395	1.1
197.59050	1.1
201.01921	1.4
203.03499	2.1
205.01454	1.9
209.02998	0.9
217.01443	7.1
217.04916	0.9
221.05959	1.0
231.03094	1.5
249.05789	1.3
251.07178	2.1
259.02502	5.3
261.00232	1.8
263.07056	2.2
267.06903	1.3
277.05228	0.9
279.03497	0.9
279.06592	1.5
281.04279	1.0
283.06168	0.9
293.04572	1.4
294.05408	2.2
295.06146	6.3
305.08237	1.1
307.06158	24.1
307.11707	1.4
308.06485	2.4
309.07803	0.9
319.05908	0.9
321.04111	2.5
322.04822	2.9
323.05643	5.7
323.08817	1.1
335.05545	1.5
337.07132	3.7
349.07275	4.5
350.04349	2.9
351.05154	8.0
353.06610	2.1
363.05099	3.6
379.04480	1.6
381.06122	2.7
399.56219	0.8
435.91327	0.9
435.97208	1.1
445.24255	1.0
463.21930	2.5
471.09277	3.1
499.08911	100.0
499.17056	3.1
500.09335	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42402	0.5
57.03453	1.8
59.01389	4.9
61.98832	0.7
63.43751	0.6
65.71245	0.5
69.04803	0.6
70.39088	0.6
71.01387	6.7
71.55574	0.7
72.99317	0.7
73.02951	1.3
75.00889	0.8
83.01399	1.6
84.91093	0.5
85.02966	17.4
85.04080	0.8
87.00868	0.6
89.02457	2.1
90.39040	0.5
93.03490	0.7
96.95988	0.9
99.00904	0.7
101.02456	2.4
103.00316	0.5
111.00922	0.8
113.02467	1.5
117.03477	9.4
119.05022	1.8
121.71780	0.6
128.03548	1.6
129.01941	2.1
133.01402	0.8
145.03000	1.5
147.03012	1.9
147.04572	0.7
149.02434	0.7
152.08348	0.6
157.06219	1.1
159.04570	0.9
160.87180	0.5
161.02499	3.8
161.04558	0.7
162.29166	0.5
163.04082	1.2
173.02390	1.1
175.04010	3.3
177.01938	2.7
186.98476	0.6
187.04027	1.2
189.01955	6.1
191.02058	4.3
191.03552	0.9
193.01343	0.6
201.02026	1.0
203.03490	1.8
204.00731	1.0
205.01424	2.5
205.03299	0.6
209.03056	13.1
215.03513	1.0
217.01437	7.0
220.05128	0.6
221.06384	0.6
223.07574	0.7
231.02916	1.4
231.10373	0.7
233.00941	1.2
234.06958	0.7
235.02293	0.7
235.07710	1.1
245.01044	0.8
249.05763	1.1
251.07152	0.8
257.00809	0.6
259.02475	4.9
261.00400	1.8
263.07227	1.8
265.05173	1.4
267.06958	1.5
277.05142	1.3
279.06607	1.6
281.04514	1.4
285.00421	0.9
290.05835	1.1
293.04578	1.4
293.16135	1.3
294.05377	1.8
295.06125	8.0
301.03644	1.0
305.04660	0.7
305.08185	1.2
307.06149	18.9
307.17426	0.7
308.03226	1.5
308.06552	1.3
309.03958	0.8
309.07690	1.0
321.04236	2.7
321.07648	0.8
322.04941	4.1
323.05646	6.3
324.06470	0.8
335.05566	1.7
337.07214	2.1
349.07187	3.2
350.04315	2.5
351.05103	13.0
352.05493	1.5
353.06882	1.4
363.05151	4.0
379.04611	2.7
381.05963	3.3
439.21817	2.3
463.22021	6.1
464.22250	0.7
471.09338	15.4
472.09641	1.0
499.08902	100.0
499.19412	7.7
500.09198	11.3
500.20306	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.9
61.98838	100.0
69.76591	1.7
71.01398	2.3
72.99339	0.4
75.00865	1.6
79.51736	0.4
85.02964	3.4
87.00896	0.9
87.06791	0.3
89.02475	1.5
90.02810	0.3
95.01390	0.7
96.44624	0.3
98.20631	0.7
99.00889	0.8
101.02455	1.1
113.02445	2.5
119.05113	0.3
127.07670	0.5
147.03040	0.4
151.07700	0.8
158.48518	0.4
161.13385	0.8
163.06215	0.3
163.89346	0.3
164.06583	0.4
205.12386	0.5
249.06274	1.5
267.07239	6.0
366.17816	0.3
441.28735	0.4
455.19153	2.3
498.31784	1.4
499.18103	1.0
499.33145	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.22
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.6
59.01386	10.0
61.98837	100.0
62.15722	0.3
71.01391	3.5
71.55097	0.6
72.99333	0.9
73.02950	0.8
73.13980	0.3
75.00881	2.5
79.80832	0.3
85.02967	3.7
87.00871	1.6
87.55453	0.3
89.02462	1.6
95.01406	0.9
99.00897	1.0
101.02495	1.0
103.69547	0.3
111.00919	0.5
113.01714	0.5
113.02444	3.9
115.00431	0.5
119.03562	0.4
125.02435	0.3
127.07687	0.3
129.01941	0.3
131.03557	0.3
151.07690	0.6
152.08066	0.3
161.13402	0.8
163.06128	0.5
205.07257	0.4
205.12433	0.5
220.00708	0.3
249.06157	3.4
267.07224	10.2
438.23227	0.5
455.19275	3.5
455.24173	0.3
498.24710	0.5
498.31732	1.4
499.18030	1.9
499.32770	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	11.3
60.53993	0.2
61.98837	100.0
66.80547	0.2
69.36652	2.3
69.92749	0.3
71.01398	0.6
72.99339	0.3
75.00874	0.3
85.02972	0.4
101.02480	0.4
102.01182	0.3
163.62144	0.3
166.72917	0.2
198.80705	0.3
229.24789	0.2
244.86858	0.3
248.33173	0.3
251.77736	0.3
315.91968	0.3
326.07465	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53861	0.6
55.01876	0.6
57.03452	0.9
58.00585	1.3
59.01386	46.4
69.03457	1.0
71.01390	26.6
72.01709	0.5
72.99310	1.2
73.02954	23.4
74.03281	0.7
79.36152	0.5
83.01396	7.2
85.02967	6.2
87.00884	2.6
89.02460	7.0
95.01390	1.5
98.19850	1.2
99.00898	1.2
101.02454	18.5
111.00872	0.7
111.08168	0.7
113.02454	6.6
119.03524	2.0
119.05045	3.3
125.02444	0.9
131.91298	0.5
134.89658	0.5
148.19302	0.5
155.10777	0.7
161.04547	1.2
183.01363	0.6
183.10236	1.5
195.14024	0.7
205.15842	0.9
223.13481	1.2
231.21143	0.7
275.20175	9.8
276.20404	1.0
277.21729	3.6
293.21274	19.9
294.21561	1.5
337.90234	0.6
339.12286	0.9
339.16449	0.6
396.21127	0.5
419.13144	0.7
437.09070	1.7
437.25464	8.0
438.25525	0.9
455.26590	17.4
456.26956	2.0
497.27612	100.0
498.28012	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
60.37493	23.7
77.70378	23.2
88.98808	100.0
90.14240	23.4
313.72089	26.9
344.94498	22.9
437.20813	29.3
448.29785	25.6
497.08472	45.9
497.16379	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	497.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91196	6.1
60.99310	17.3
69.30167	19.9
69.30602	24.9
71.05028	5.9
79.12385	6.4
88.77002	6.0
88.98824	100.0
96.86887	5.6
112.97880	5.8
151.00369	6.6
171.98331	11.2
185.53806	6.8
230.73596	5.6
266.91882	5.7
350.98969	6.5
497.07828	6.2
497.16586	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	497.2761
Annotation	Simplexin I
Peak:m/z	Relative Intensity
50.50720	0.7
52.47240	0.6
55.01877	1.2
55.13176	0.6
57.03449	2.0
58.00619	1.1
59.01388	43.4
61.98833	1.0
69.03455	0.9
70.52624	1.0
70.52956	1.5
71.01391	25.2
72.99310	1.3
73.02956	21.3
73.70010	0.7
79.30461	0.6
83.01407	6.9
85.02952	4.8
87.00871	3.1
89.02440	4.4
96.96008	4.6
99.00864	1.4
101.02454	15.7
113.02438	5.1
119.03539	2.0
119.05026	1.4
121.41270	0.8
125.02455	0.8
131.03543	0.8
141.04971	0.7
161.04576	1.1
167.88651	0.7
178.42520	0.7
179.14384	1.0
180.12985	0.7
181.12352	0.8
195.13960	1.4
205.15944	1.0
223.13445	2.1
275.20221	9.8
277.21820	2.2
293.21259	28.0
294.21606	1.6
320.82217	0.7
339.12341	0.8
392.21356	0.8
399.10712	1.2
437.09119	0.7
437.19949	1.3
437.25229	5.9
455.26520	17.1
456.26691	1.3
482.05176	1.0
492.12747	0.7
497.08203	3.3
497.27609	100.0
498.27902	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	497.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	6.4
58.41885	3.6
59.01390	100.0
59.50036	4.3
61.98827	10.8
69.03465	4.9
71.01393	44.2
71.54651	4.5
72.99332	12.6
73.02959	17.8
73.17856	3.9
78.95938	5.9
80.41505	4.1
83.01453	6.5
85.02968	27.1
89.02456	42.7
90.54610	4.1
96.96046	6.7
99.00903	14.2
99.64536	4.1
101.02475	42.1
113.02468	18.0
119.89584	4.1
125.02460	34.5
128.03593	6.2
131.03523	9.6
135.23257	4.1
143.03516	3.7
149.04573	38.5
157.06168	7.8
161.04555	10.3
167.10852	11.7
191.05666	6.2
203.10875	4.4
209.11855	5.1
224.44373	3.6
225.11110	3.9
233.06679	10.4
265.81061	4.1
266.14139	4.0
291.18213	35.5
292.18338	4.3
293.08813	80.8
311.09979	7.3
320.09351	5.3
329.06564	62.0
335.21918	5.3
437.24026	56.8
497.16971	23.3
497.27515	32.9
514.59033	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	497.1307
Annotation	Verproside
Peak:m/z	Relative Intensity
57.03461	1.3
59.01387	4.1
61.98840	1.4
66.91496	0.7
69.26281	4.2
69.26699	1.8
71.01384	3.7
72.99319	1.0
73.02967	2.3
75.00890	2.5
75.95679	0.7
83.04563	0.7
83.05015	1.5
85.02964	7.2
87.00906	1.6
89.02456	0.9
90.32043	0.6
90.45532	0.7
93.03471	9.7
94.14628	0.6
95.01422	0.9
96.96037	2.0
98.19852	1.3
101.02465	2.4
101.58942	0.6
107.05039	0.8
109.02964	1.7
111.04510	3.6
112.74320	0.6
113.02477	0.8
115.00407	1.3
125.02453	2.4
133.02963	6.8
134.03726	3.1
135.04541	100.0
136.04892	3.3
137.02464	5.5
148.73689	0.6
151.03999	0.8
155.03571	1.4
157.01410	2.0
161.02470	26.1
161.04539	1.0
162.02841	0.9
166.05063	1.4
167.03461	0.7
173.04587	2.1
175.02534	3.0
179.03516	99.5
180.03856	3.8
191.02016	2.0
208.99176	0.9
267.07214	1.0
335.07761	74.2
336.07996	4.5
341.08859	4.5
437.20160	1.2
488.34576	1.0
497.12936	32.2
497.26202	3.0
498.13248	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	497.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57201	0.6
56.08205	0.5
57.03455	54.6
58.03775	0.7
59.01384	6.6
61.98837	7.7
69.99129	1.2
69.99548	1.6
70.41126	0.4
71.01358	1.1
75.00873	0.9
81.03465	6.3
81.51863	0.5
83.01431	0.7
85.02945	1.5
97.02950	2.5
98.20012	0.7
99.04530	29.7
100.04839	0.7
101.02454	12.9
108.55288	0.5
113.02426	0.6
123.01031	0.5
125.02448	3.5
128.03496	0.7
137.02454	0.8
147.04532	0.9
149.83412	0.5
151.00430	0.8
166.02678	0.7
167.03522	0.6
175.03992	1.7
177.02022	0.6
181.05104	1.9
183.53099	0.6
195.10298	0.8
205.05003	0.7
219.02994	17.7
234.05351	20.2
235.05730	0.8
249.03989	1.2
249.07692	16.6
250.08078	0.9
255.03009	46.6
256.03406	3.7
264.06436	1.4
268.03885	0.8
269.04602	2.0
279.08762	40.7
280.09149	2.3
283.02502	34.7
283.04990	0.4
284.03183	10.1
285.04031	2.1
289.07330	0.8
297.04080	7.8
298.04831	13.2
299.05609	8.6
313.03445	3.1
330.03812	0.5
356.24380	0.5
446.08575	23.3
447.08978	2.2
461.10922	100.0
462.11313	10.2
496.32175	0.6
497.16254	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02127	0.9
56.70008	1.1
61.83904	1.0
62.35270	1.2
63.02395	1.9
65.00334	8.7
93.03471	5.5
98.19903	3.3
102.03349	1.0
109.06583	3.4
117.03455	1.3
119.05047	45.2
120.05350	1.4
122.37744	1.0
132.98184	1.7
133.06612	22.4
145.02939	2.3
149.06122	1.3
149.99622	1.6
151.00348	1.6
151.07687	7.7
155.28993	1.1
158.84729	2.6
159.04462	1.1
161.02327	1.3
175.07674	7.6
176.01190	5.0
181.22388	1.2
187.04030	2.8
187.11226	1.4
191.07091	1.3
193.08829	1.3
219.06662	48.8
219.08792	2.5
220.06839	1.5
233.08194	4.1
235.02852	1.4
259.02750	1.4
285.00815	3.0
289.04190	1.3
291.05478	2.9
295.13446	1.2
301.03848	1.5
317.03479	1.5
327.01700	1.6
331.19144	1.1
339.01816	2.2
339.12418	54.6
340.12778	5.5
351.09247	1.5
377.06921	1.4
395.08109	11.0
398.10217	1.7
413.12427	4.0
421.12613	1.4
437.09219	100.0
438.09604	7.9
439.17715	1.6
497.27261	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	6.1
71.54103	1.1
77.21279	1.6
82.10695	1.2
93.03456	1.8
96.32664	1.3
108.50882	1.5
119.05038	80.4
120.05375	2.9
125.02480	1.7
126.84038	1.1
130.04257	1.2
145.02959	1.9
145.06628	2.8
157.06587	12.4
165.02019	1.7
189.05598	3.1
201.05562	16.2
207.06694	1.4
219.06642	12.9
237.07625	3.2
261.48651	1.2
308.46631	1.2
321.11322	19.6
322.11560	1.7
339.12357	23.6
375.05435	1.9
377.07101	28.1
378.07309	2.8
419.08151	100.0
420.08554	10.5
421.06100	3.6
437.09113	13.3
438.09448	1.8
474.31219	1.4
497.21722	8.1
497.30725	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	496.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32942	0.4
57.03468	2.7
59.01390	3.8
59.74145	0.4
60.97803	0.4
61.98841	100.0
62.98526	0.5
69.40244	3.7
71.01402	1.9
72.99339	0.5
73.02949	0.7
75.00885	4.4
83.01434	0.5
85.02973	2.6
89.02470	0.5
96.96038	0.6
99.04539	1.2
101.02439	1.3
105.78856	0.6
113.02466	1.2
115.52352	0.4
125.02457	0.8
150.31345	0.4
156.36200	0.5
161.04648	0.6
179.23770	0.5
203.91022	0.5
219.03070	0.7
220.24968	0.5
234.05444	0.7
249.07755	0.6
271.06372	0.4
279.08902	1.9
299.05759	0.5
333.26401	0.7
495.32028	4.6
496.32254	3.0
497.27438	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27465	0.7
57.03430	0.8
59.01372	2.9
61.98814	2.7
68.15948	0.7
69.25546	3.1
69.25976	4.0
75.00885	1.1
78.95922	4.7
79.20538	0.8
85.02945	5.1
87.94742	0.7
96.96951	1.2
98.20699	1.6
113.02486	0.9
119.03497	0.7
129.01987	1.0
129.09247	1.8
138.50484	0.7
148.01637	0.9
156.10963	0.8
166.05086	1.6
191.01991	2.1
211.03894	1.2
227.03535	2.3
255.03127	3.7
256.03647	1.3
267.07324	1.5
269.29205	0.8
269.43472	0.9
283.02448	4.1
284.03281	48.0
285.03729	4.2
297.04068	2.0
299.05630	100.0
300.06091	7.2
305.18338	0.7
461.10965	2.7
497.21448	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	495.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27800	0.9
55.01890	2.2
57.03448	1.3
58.00606	2.7
59.01389	100.0
61.01768	0.9
61.76705	0.8
61.98833	4.3
70.94862	2.2
71.01389	37.0
72.99321	4.8
73.02959	18.1
75.00883	1.9
76.54026	0.9
82.45605	0.8
83.01411	5.9
85.02962	16.9
86.00128	1.4
87.00894	6.3
87.04537	2.0
89.02460	38.9
95.01403	2.6
96.13842	0.9
96.96017	1.4
97.02937	2.4
99.00875	1.6
101.02459	44.4
103.04023	13.0
113.01725	1.3
113.02475	12.9
115.04012	3.3
119.03519	16.3
119.05016	2.0
125.02454	4.0
125.88562	0.9
127.04016	1.4
131.03532	5.5
143.03497	8.9
145.05064	4.2
149.04623	1.4
161.02466	1.8
161.04533	3.3
163.00432	1.2
163.03986	1.8
163.06145	47.3
179.05641	7.1
195.55757	0.8
201.79585	0.9
205.07188	20.9
243.02974	2.4
247.08260	1.2
257.04507	0.9
265.09293	3.7
269.04504	2.8
281.04630	6.4
289.16568	4.7
303.18219	1.2
322.86838	1.0
389.06546	1.1
405.06226	2.7
418.06784	1.1
419.07886	1.7
420.08087	1.5
433.09595	1.2
435.10904	5.3
435.22415	41.3
436.22577	5.1
444.86032	0.8
477.11954	6.7
495.13171	10.0
495.31241	1.6
496.13562	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89670	1.4
57.03448	4.2
57.51404	1.3
59.01388	100.0
60.01701	2.2
61.98837	5.2
69.03480	1.7
71.01393	23.8
71.83992	1.4
72.99318	1.9
73.02953	12.3
75.00869	4.5
81.03426	1.8
83.01395	4.2
85.02953	12.8
87.00893	2.7
87.04530	15.6
89.02454	6.8
96.96038	4.1
97.02968	2.1
99.00897	3.9
101.02452	16.3
103.04025	24.0
106.06664	1.6
113.02444	10.2
125.02477	3.3
141.01732	10.6
143.03484	2.2
145.05118	1.8
145.91101	1.7
149.04529	1.8
150.05542	2.0
161.04558	5.8
163.06139	1.5
231.22878	1.3
253.56387	1.4
275.09271	1.7
280.98682	1.3
289.16489	10.5
293.08786	1.8
329.06458	2.5
371.20679	5.2
376.39197	1.5
395.13568	1.5
420.19598	1.8
435.22354	25.3
436.22473	1.8
453.21286	4.4
464.18390	2.8
495.30951	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	495.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50978	1.3
54.35969	1.3
55.01885	2.8
57.03446	4.3
58.00609	1.4
59.01386	75.8
61.98833	3.3
62.64827	1.3
62.96650	1.3
63.44896	1.2
69.03459	2.2
71.01389	52.1
72.99310	10.2
73.02955	22.8
75.00875	2.5
83.01396	16.9
85.02964	30.7
87.00894	2.0
89.02431	7.9
95.01414	4.4
97.02976	3.4
99.00883	10.0
101.02460	47.9
103.04043	6.8
113.02471	22.0
114.45512	1.5
119.03504	3.8
120.91668	1.3
125.02449	5.9
143.03528	5.2
159.03014	3.3
161.04561	21.9
163.06126	6.2
217.59526	1.3
247.08243	2.5
289.16586	58.3
290.16922	2.7
307.10571	1.8
435.22385	100.0
436.22778	9.6
495.19705	1.7
495.31635	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	495.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82724	1.6
68.24535	1.6
68.99813	3.1
71.24828	1.7
78.95909	2.5
91.01900	3.3
110.00099	6.4
110.48410	1.6
119.05029	7.6
123.00892	2.9
133.06607	2.3
137.99631	8.6
141.72575	1.9
151.00398	4.6
163.00400	12.6
163.04030	10.8
178.06369	9.4
178.99820	2.1
190.99983	2.4
191.03534	4.5
191.07149	4.5
205.05046	2.7
206.05832	7.9
217.05013	2.4
219.06573	12.1
233.04591	4.2
234.05353	32.8
247.06097	5.0
267.23279	7.6
276.06302	1.7
297.07846	4.1
312.13498	2.0
325.07120	7.4
341.14102	3.1
353.10422	4.4
368.12668	100.0
369.13013	7.7
426.08627	8.2
437.19678	94.4
438.19894	9.5
495.27548	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	495.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29915	2.0
52.47522	1.7
55.01871	4.3
57.03445	8.9
59.01387	98.3
61.98846	9.2
63.80815	1.7
64.41228	1.8
69.03466	3.6
70.01536	4.9
70.01943	4.9
71.01390	70.7
72.99313	6.5
73.02960	27.6
75.00866	9.9
81.03461	2.0
83.01414	19.7
84.02169	2.1
85.02959	66.7
87.00876	9.6
87.04514	6.4
89.02451	19.9
95.01402	4.3
96.96019	5.9
97.02987	2.5
97.06606	2.2
98.19922	3.0
99.00928	10.5
101.02452	60.5
102.02814	2.6
103.03996	6.2
109.02898	2.2
111.00879	5.8
113.02465	27.3
119.03503	6.3
119.05058	2.5
123.04535	2.2
123.08170	2.2
125.02466	7.7
129.01941	6.7
131.03558	2.5
135.04546	4.0
137.02454	2.5
141.01688	3.3
143.03482	3.1
147.03012	3.6
151.04022	3.0
153.01953	3.5
159.03003	5.7
161.04553	17.6
163.03996	2.7
163.06148	6.2
167.03546	4.6
177.01982	2.9
191.01947	15.1
191.03539	5.2
218.11873	2.1
238.98672	3.7
256.99698	5.7
289.16620	86.9
290.16867	2.3
297.07797	4.4
297.17148	4.0
333.26373	7.8
341.06577	5.2
349.00946	1.9
398.28601	1.9
420.19547	3.5
435.22342	100.0
436.22809	8.2
464.18500	3.9
495.12683	3.1
495.19641	9.9
495.25885	2.4
495.31766	40.2
496.32108	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
69.90067	1.1
71.54427	1.5
77.74294	1.0
93.03495	1.4
96.14608	1.2
101.97359	1.1
109.02969	1.9
116.67422	0.9
131.14351	1.0
133.06618	1.2
139.03952	1.6
149.02486	5.2
175.00369	4.2
175.04034	1.2
177.05666	1.4
189.01904	1.8
189.05585	2.6
189.99045	2.1
205.01318	1.4
205.05084	2.0
209.11864	8.2
211.13382	12.6
226.74620	1.1
227.12944	1.7
233.04564	3.7
270.93445	1.4
286.01144	5.6
296.03131	1.2
312.02878	1.3
342.05325	1.1
343.04590	3.6
355.04459	4.2
355.08289	19.3
356.08444	1.2
365.71912	1.3
383.07736	30.5
383.12695	1.7
384.07990	2.9
398.10074	19.0
399.10507	2.3
413.12466	100.0
414.12778	9.5
431.09631	1.1
480.03574	2.4
495.11536	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	495.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15696	1.7
63.42458	1.5
68.99834	3.2
71.54449	2.5
71.54829	1.9
73.80027	1.7
78.61109	2.1
81.89869	1.7
91.01911	3.5
110.00098	7.3
111.53667	1.7
119.05081	9.1
119.05808	2.1
123.00916	2.3
137.99609	9.8
142.09932	1.8
142.11020	1.6
150.18227	1.6
151.00375	4.8
152.99535	2.4
163.00363	11.3
163.04008	9.7
177.05566	2.5
178.06396	8.2
178.99878	2.3
190.99806	2.8
191.03542	4.6
191.07133	6.0
205.05046	3.3
206.05882	8.4
209.57292	1.9
219.06548	13.4
233.04561	4.9
234.05360	40.6
245.04329	4.3
247.06261	3.1
267.23322	4.3
297.07651	3.2
325.07193	7.6
325.10803	3.6
341.14059	2.8
353.10342	5.0
368.12659	100.0
369.12955	9.3
426.08533	6.8
437.19705	96.6
438.19989	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	494.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21001	1.2
59.01390	12.2
61.98833	31.4
64.21713	1.5
70.02634	6.4
70.14971	1.5
71.01386	3.9
71.80954	1.4
72.99305	1.8
75.00879	14.8
77.03962	2.0
79.96362	1.4
82.52226	1.3
85.02950	4.7
89.02496	1.6
93.03445	1.9
98.20604	2.0
101.02475	2.3
112.70687	1.3
117.03478	7.6
121.02936	2.1
125.02476	2.4
135.04549	2.8
137.02643	1.5
149.02446	2.2
155.10809	2.6
160.15688	1.6
161.02498	3.3
163.04015	3.6
174.87338	1.4
191.03564	3.0
203.03543	2.1
268.03760	2.7
281.04538	2.1
283.06146	48.1
284.06567	2.7
293.04541	3.0
295.06097	2.3
305.06796	1.8
311.05624	78.8
312.05984	7.2
323.05569	3.6
341.06671	5.0
358.15332	1.8
390.43738	1.6
431.09839	100.0
432.10156	9.3
437.36002	1.7
493.30487	7.5
494.30408	4.3
495.20255	1.9
495.31613	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	494.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.9
61.98838	100.0
70.09603	0.3
71.01408	1.0
73.02946	0.4
75.00883	0.5
85.02975	1.1
94.90197	0.3
101.02466	0.8
137.02441	0.5
141.04533	0.3
192.83925	0.3
385.67786	0.3
417.66589	0.3
433.15491	0.4
494.30789	1.2
495.31946	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05757	0.5
55.01880	0.6
57.03444	0.8
59.01386	100.0
60.01721	0.9
60.14033	0.4
61.98838	8.2
64.93472	0.5
70.46819	0.5
71.01387	7.1
71.55686	0.8
72.99337	1.4
73.02950	3.6
75.00884	1.1
83.01397	1.1
84.02173	0.6
85.02964	6.3
87.00915	0.7
87.66645	0.4
88.96116	0.4
89.02467	2.2
95.01408	0.8
99.00896	3.9
101.02454	7.9
113.02470	3.5
125.02438	0.5
131.03522	0.5
143.03566	0.6
149.04597	0.7
155.10797	1.3
161.04596	3.1
168.80014	0.5
169.06644	0.8
191.59419	0.4
207.10338	1.5
208.10652	0.9
209.02998	0.5
209.10912	0.7
264.36502	0.5
268.03879	0.8
373.22281	3.1
391.23392	13.8
392.23834	1.1
431.09976	1.8
433.24313	4.9
449.20734	0.5
493.19214	4.0
493.30252	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	493.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75759	62.5
71.54390	100.0
111.91121	58.2
133.04990	64.4
133.53561	71.2
177.93138	61.6
210.31091	56.9
307.58392	71.6
323.52173	71.5
329.37112	76.1
340.95474	71.0
460.71146	63.1
490.46027	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.4
57.03450	3.2
59.01386	57.0
61.98825	2.7
69.56790	6.7
71.01389	30.1
72.99300	3.6
73.02951	13.6
75.00873	10.8
83.01392	3.8
85.02960	14.1
87.00887	2.8
89.02457	28.1
95.01360	2.3
96.96005	4.0
98.20639	2.8
99.00886	4.9
101.02467	22.0
113.02467	11.8
119.03513	4.1
124.05936	1.5
125.02455	3.3
127.11422	1.5
131.03535	3.1
143.03394	1.6
143.98134	1.6
146.50871	1.6
149.04558	13.6
161.04573	3.0
165.05641	1.8
179.05643	1.7
191.05626	1.9
238.01259	1.4
239.78473	1.7
242.73779	1.3
256.09280	1.4
274.53656	1.5
301.16754	3.6
313.23865	3.1
329.23325	2.1
331.24991	18.7
349.23975	1.6
375.27710	2.1
405.65076	1.5
433.20956	11.8
433.28006	4.6
475.29312	3.2
493.10919	3.2
493.30261	100.0
494.30679	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	493.2604
Annotation	Biperezone
Peak:m/z	Relative Intensity
57.03451	0.8
69.94754	1.1
69.95142	0.7
91.42935	0.4
93.03459	1.5
106.04287	0.7
107.05073	0.8
119.05043	96.9
120.05389	3.5
121.02988	1.2
125.09767	0.5
130.04190	0.5
133.02910	0.4
143.05034	1.1
144.05806	1.6
145.03009	1.5
145.06602	1.4
147.08229	0.7
152.01175	0.5
157.06699	0.6
157.10370	0.4
159.08183	2.3
161.02431	1.9
173.09712	2.4
175.11275	0.5
183.08107	0.6
207.10229	0.8
211.13432	3.0
225.11311	1.0
226.60155	0.5
228.12247	0.4
271.17035	0.6
315.15802	0.5
329.21234	6.1
330.21750	0.5
355.19162	1.7
373.20236	33.6
374.20612	2.6
475.26923	0.7
480.57471	0.5
493.26028	100.0
494.19479	1.0
494.26331	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	493.212
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55169	0.5
58.86692	0.5
59.01389	2.8
69.34877	4.7
71.01384	0.8
71.06271	0.5
90.97149	2.2
92.31107	0.6
98.20726	1.0
101.02442	0.6
118.84795	0.6
118.96620	1.6
119.01180	0.5
132.98248	2.9
141.44310	0.7
151.00378	1.8
160.97670	0.7
165.12856	1.5
165.20636	0.6
171.10330	0.8
172.54631	0.6
174.99278	5.4
181.12346	0.9
183.13921	13.4
186.99246	0.8
190.38661	0.6
209.11810	2.1
222.06429	0.6
235.06592	0.9
243.05522	1.4
255.09200	2.3
257.10757	5.0
258.35114	0.5
265.08228	2.0
277.07388	0.6
279.09323	0.8
283.08661	7.2
295.08841	0.9
297.10245	4.4
299.11786	7.9
301.09665	0.8
311.11777	0.7
323.11880	0.7
367.18088	1.1
401.20032	1.1
403.21814	0.7
413.19952	0.8
418.18027	0.9
419.21182	1.0
421.22583	4.0
422.22791	0.8
423.24280	2.2
431.21140	10.7
432.21307	0.8
449.22247	4.9
465.21875	1.2
467.23184	0.6
475.20197	10.8
476.20642	0.8
482.81619	0.6
493.11725	5.1
493.21240	100.0
494.11679	0.8
494.21625	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	493.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89256	1.0
54.24775	0.9
55.01883	1.1
57.03464	1.5
59.01389	62.5
59.27291	0.9
61.98835	3.7
69.94881	3.6
71.01019	1.6
71.01393	20.8
72.99298	2.2
73.02956	6.1
73.83216	0.9
74.80790	0.9
75.00867	2.9
83.01394	3.1
85.02970	11.4
86.66087	0.9
87.00874	1.7
89.02454	5.9
95.01397	1.5
97.29342	1.3
98.20687	1.1
99.00887	3.5
101.02462	12.8
104.46471	1.2
111.00900	1.6
113.02481	7.8
119.03533	2.3
161.00877	2.2
161.04553	4.5
171.10326	1.1
202.26572	0.9
207.10292	1.1
235.32442	1.0
285.04053	1.9
313.23868	8.4
329.23303	1.5
331.24948	21.4
332.25458	2.4
371.20645	4.1
413.21848	2.9
433.27850	1.5
447.22318	10.1
448.22363	1.6
475.29272	2.3
493.30246	100.0
494.30402	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	493.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02456	0.5
55.01881	1.4
57.03453	1.5
58.00603	0.8
58.71509	0.5
59.01385	100.0
60.01725	0.6
60.10538	0.6
61.98837	15.2
67.76783	0.5
69.03501	0.5
69.51181	3.7
71.01389	21.6
71.05051	0.5
72.78156	0.5
72.99312	2.9
73.02954	8.5
75.00883	4.3
81.03489	0.5
83.01406	2.2
84.02198	1.7
84.12435	0.6
84.31619	0.6
85.02959	13.3
87.00901	1.4
88.98792	0.5
89.02451	10.1
95.01417	2.3
96.96053	0.8
97.02970	0.7
98.20630	1.1
99.00887	17.8
100.37196	0.5
101.02453	12.0
113.02457	10.1
119.03529	1.3
125.02477	1.7
129.01976	0.8
131.03555	2.1
134.44914	0.5
137.09741	2.4
143.03542	1.3
147.03033	0.8
149.04559	4.4
155.10757	5.4
159.03014	1.3
161.04581	8.4
169.06627	3.8
179.05714	1.0
191.01965	1.3
191.05630	4.5
199.09807	1.6
207.10405	0.9
208.10631	0.6
209.02997	4.1
221.06139	0.5
233.06738	1.1
241.47781	0.4
251.68997	0.5
268.03806	0.9
293.08783	0.5
305.06799	0.6
361.18729	1.1
373.22345	2.7
391.23376	10.9
392.24115	0.7
413.29514	0.7
431.10114	2.0
433.24158	5.1
449.20303	5.2
451.29425	0.7
476.19733	0.5
493.12759	1.0
493.19659	18.3
493.30219	5.9
494.20016	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	493.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.0
59.01387	37.6
61.98812	1.9
67.01895	0.7
68.99823	1.3
69.03448	0.8
71.01024	0.7
71.01394	11.1
71.09727	0.6
71.54152	0.8
72.99320	4.6
73.02959	2.8
75.00884	10.8
76.47514	0.7
81.03445	0.7
83.01368	1.3
85.02969	12.5
87.00878	4.0
89.02454	3.9
93.03497	0.9
95.01423	2.9
99.00894	7.8
101.02452	2.0
107.71940	0.6
109.02972	0.6
111.00865	1.1
113.02460	11.0
115.00388	1.3
117.01950	0.9
129.01949	1.5
134.03731	0.6
139.11310	13.7
149.02393	0.8
157.01361	1.1
163.04024	1.0
170.16864	0.6
170.41678	0.6
170.62424	0.6
175.02480	1.6
181.12381	6.0
181.43286	0.7
183.10265	11.4
183.92528	0.7
184.10623	0.7
193.05043	1.5
195.06770	0.7
199.13371	1.8
225.11360	4.6
231.05122	1.0
243.12358	4.3
249.06206	6.4
267.07025	1.0
283.06027	0.9
287.01929	2.3
287.09061	0.8
311.05594	2.2
315.01447	4.4
316.02203	1.4
317.15961	4.4
330.03644	4.0
331.04550	2.4
361.18680	2.8
396.54166	0.6
396.60876	0.7
412.64896	0.7
413.28738	0.7
431.09686	2.1
431.19135	1.7
433.17175	3.6
433.24826	1.2
475.18320	5.3
493.10629	3.0
493.19199	100.0
493.30640	3.1
494.19681	10.5
494.30566	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1143
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
59.01389	7.3
65.00333	1.6
70.49512	1.9
70.49875	2.4
75.00845	1.1
83.01389	1.3
85.02972	2.0
86.21740	1.0
107.01412	3.6
110.20428	1.0
123.04600	1.5
133.02962	9.4
149.02512	2.2
151.00406	8.2
151.07652	4.7
171.10318	1.7
175.04057	3.0
179.07129	2.7
187.03969	1.0
199.04028	3.2
201.01938	1.7
209.11923	2.1
211.03958	1.1
217.05055	2.0
226.02740	1.3
227.03491	3.9
229.05255	1.1
243.03056	1.8
255.03017	51.2
256.03775	33.6
257.04233	1.9
283.02521	61.4
284.03281	100.0
285.04044	77.2
286.04504	4.7
313.03592	4.3
406.13892	1.2
463.10406	3.1
475.10306	4.8
481.93393	1.1
493.11514	15.5
493.31998	5.6
494.11911	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	492.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.0
58.89693	0.5
59.01391	14.1
60.01725	0.5
61.98838	100.0
64.67308	0.5
71.01382	3.3
71.55380	0.6
72.99306	1.2
75.00887	2.4
81.18933	0.6
83.62006	0.6
85.02958	2.5
87.00919	0.9
89.02460	3.1
95.01411	0.6
96.96030	9.8
101.02481	2.4
113.02484	2.2
119.03506	1.3
125.02473	0.6
135.04433	0.7
137.02454	1.0
151.04047	0.8
155.41504	0.5
161.04549	0.6
161.09857	0.6
163.03969	0.6
165.09235	0.9
166.09572	0.5
170.02208	0.6
200.30093	0.6
205.08800	1.5
207.10350	1.8
208.10703	1.4
209.15503	0.6
223.09894	0.9
223.13498	2.3
224.10161	1.3
267.12363	5.7
299.01520	0.6
312.13306	0.8
354.71799	0.6
379.83643	0.5
385.15268	0.9
386.15210	2.5
390.88940	0.6
429.17871	2.2
474.18494	2.5
474.85779	0.6
492.12326	1.9
492.19769	9.9
492.27423	0.8
492.30127	0.9
493.20160	1.7
493.30637	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0992
Annotation	Myricetin 4'-methyl ether 3-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
51.81507	0.4
53.55206	0.4
53.81671	0.5
56.23339	0.4
57.03460	1.0
59.01382	4.1
61.98836	3.5
63.02395	0.7
65.00332	2.5
69.48108	1.3
69.48517	1.8
71.01385	1.2
71.88218	0.4
74.53329	0.4
78.59478	0.4
80.64597	0.4
83.01402	3.2
85.02962	2.1
87.00871	0.7
89.02454	0.9
95.81159	0.4
96.96027	0.9
97.02959	0.5
98.20593	1.0
101.02450	0.6
107.01406	3.6
108.02187	0.6
109.02983	0.4
110.00116	0.5
113.02464	0.7
120.01260	0.5
121.03016	0.6
122.00844	1.0
123.00890	1.5
123.04504	0.7
124.00840	0.4
124.01698	0.8
125.02463	15.7
135.00894	0.6
139.00424	0.5
146.67239	0.4
149.02397	0.8
151.00377	17.4
153.01874	0.5
163.00385	7.8
164.01170	51.3
165.01572	1.8
165.05576	0.6
167.03484	1.0
169.01497	0.5
169.05051	0.7
175.00343	1.9
177.01923	4.8
179.03439	0.6
183.60027	0.4
191.01935	0.5
193.01414	0.8
199.03941	0.6
205.01366	1.7
216.00574	0.5
217.01471	1.8
218.02176	2.8
219.02982	0.7
226.02788	0.5
227.03462	0.7
229.01382	0.7
231.02927	2.5
243.03009	5.1
245.00903	6.6
246.01494	0.5
259.02448	2.6
269.00919	1.1
269.04712	0.5
271.02542	1.9
272.03403	0.7
287.01993	7.1
287.05243	0.9
291.34915	0.5
298.01157	3.6
313.03430	1.0
315.01450	8.8
316.02069	1.2
319.55603	0.4
330.03775	3.8
331.04501	0.7
355.06534	0.7
356.56802	0.4
379.06708	0.8
381.08090	2.2
394.09070	0.6
406.09128	0.6
409.07800	1.1
434.08716	0.7
441.24390	0.5
449.11450	0.9
460.06357	1.9
474.33240	0.6
478.07584	18.2
479.07990	1.3
493.09863	100.0
494.10226	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	492.115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.3
57.03453	12.3
59.01389	7.8
68.99778	1.4
71.01389	3.7
73.56878	1.1
75.00893	1.2
83.01405	1.5
84.02183	3.2
85.02960	100.0
86.03302	1.4
87.66482	1.1
89.02437	5.4
90.02790	1.1
98.19862	2.1
109.09126	1.1
114.39449	1.1
119.05010	3.7
120.11486	1.3
129.01930	6.1
147.03053	10.1
149.04558	11.4
150.04874	5.9
163.04028	4.2
191.01997	44.4
192.02394	1.4
209.03033	30.8
209.04909	2.1
229.38580	1.2
252.05882	1.9
355.06702	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	492.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	4.5
63.02405	3.4
65.00328	13.4
67.79713	0.8
69.21918	7.2
82.95441	4.2
83.01392	6.8
84.95121	1.2
89.98916	0.9
107.01400	17.5
138.15649	1.1
151.00381	58.6
152.00699	1.3
165.01892	2.4
169.01425	1.1
177.02016	3.0
200.12097	5.5
229.15932	1.9
232.11047	9.1
255.17557	44.0
256.17914	3.6
263.61600	0.8
267.10324	1.3
281.15515	1.0
323.16574	4.3
407.18655	100.0
408.18890	9.1
410.19641	1.6
440.36551	0.9
492.16510	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	491.2869
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
55.01879	0.7
57.03439	1.4
59.01388	27.7
61.54427	0.5
61.98833	2.0
62.54676	0.4
71.01394	10.6
72.33047	0.5
72.99304	1.5
73.02946	4.3
75.00880	0.6
83.01398	2.0
84.70482	0.5
85.02957	5.8
87.00894	2.0
89.02457	3.6
95.01384	1.0
96.95986	0.5
97.02965	0.6
99.00900	1.2
101.02459	7.1
108.02187	0.5
113.02469	3.9
113.09715	1.0
116.07231	0.8
119.03529	1.2
119.05022	1.5
125.09724	1.4
125.84065	0.5
127.11324	0.8
137.02431	1.1
137.09702	0.5
143.10828	0.5
152.01141	0.8
155.10719	0.6
157.12376	0.6
161.04539	0.7
163.04077	1.4
165.09129	0.7
165.12819	0.7
167.03502	1.3
170.02190	1.2
171.10275	5.4
179.43263	0.5
183.13898	1.9
185.11868	0.8
197.06090	1.1
199.16959	0.7
207.10329	2.1
223.09705	1.1
241.93944	0.6
287.22321	0.7
311.22336	4.7
327.21924	1.1
329.23386	23.9
330.23672	1.6
359.27701	0.5
373.26019	1.0
389.11411	0.5
431.26755	0.9
449.27451	2.0
455.25027	0.8
473.18311	1.4
473.27466	1.5
487.74945	0.6
491.28616	100.0
492.28967	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	491.2809
Annotation	Kermadecin F
Peak:m/z	Relative Intensity
56.67503	0.5
59.01361	1.8
69.62312	1.8
69.62723	1.1
77.92789	0.5
83.01386	1.0
106.22001	0.5
109.06532	0.5
111.18263	0.6
119.05061	3.3
124.01654	1.0
136.01654	0.7
145.02890	0.7
149.02435	1.1
152.01180	4.7
161.02539	0.6
162.03242	0.6
165.01878	1.2
173.09726	0.6
176.01137	0.7
177.01955	3.5
179.03473	0.9
187.03995	0.6
187.07689	0.6
188.04758	1.8
190.02739	2.6
191.07234	0.5
201.01968	0.7
201.05551	1.2
201.09148	0.9
203.03505	2.2
203.07109	2.8
204.07616	0.6
205.04927	0.5
205.08675	1.1
215.03557	6.1
215.06950	0.5
217.08720	4.4
218.09441	0.6
219.06490	0.7
227.07442	0.6
229.05400	0.5
231.06583	1.9
233.08069	1.2
243.06664	3.8
244.07431	1.0
245.08212	9.5
246.08603	0.9
257.08060	1.3
257.15347	0.7
258.09061	3.3
259.13574	0.6
269.86307	0.6
273.11511	0.7
273.14868	0.9
286.08536	2.1
299.09326	2.4
301.14453	3.2
311.09308	14.1
312.09647	0.9
323.12759	0.5
327.08643	0.5
337.14459	1.3
339.12354	1.5
353.14072	0.8
354.14786	1.7
361.14548	1.7
365.13718	2.4
367.15552	6.4
368.15894	0.6
379.15518	67.3
380.15897	7.2
407.18677	4.5
421.20203	1.3
422.16794	1.7
422.21875	3.8
423.21591	0.9
433.06299	0.5
447.29260	1.1
491.28098	100.0
492.28458	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	491.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01724	0.7
61.18529	0.5
62.14991	0.5
62.89634	0.5
71.01413	1.5
71.55530	0.9
72.75140	0.6
73.02956	0.6
75.00892	0.7
83.01392	1.1
85.02958	1.8
89.02466	1.0
101.02464	1.5
107.01414	1.1
113.02489	1.6
116.92889	1.8
117.92886	1.6
118.92748	1.4
125.02454	1.1
135.04552	4.5
137.02495	0.9
151.00389	5.7
159.09558	0.7
177.40538	0.6
207.10410	0.6
209.08244	2.6
211.86159	0.6
287.05701	4.0
430.93741	0.7
491.12256	0.8
491.20267	1.8
491.28659	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2683
Annotation	Mucronine B
Peak:m/z	Relative Intensity
59.01380	3.4
65.77803	0.7
66.03479	0.9
71.02525	2.2
83.11093	0.6
91.05580	0.6
97.00412	0.7
98.20660	2.0
100.45807	0.6
100.72090	0.6
110.03616	1.5
111.01973	0.9
115.08790	10.8
116.05083	1.9
118.06664	3.8
119.05042	29.7
120.05358	1.9
125.07227	2.9
126.05624	2.0
132.05826	2.1
138.03201	0.7
141.06706	4.5
144.05800	0.7
146.06142	9.2
151.76843	0.7
152.08385	1.4
153.06721	0.8
157.05339	0.9
161.02423	1.0
163.08740	1.0
164.04839	0.9
165.34894	0.7
168.07751	0.8
169.13486	0.7
170.09363	3.7
173.07253	0.9
174.05571	1.3
179.11914	2.8
187.11279	7.5
194.13049	1.0
196.14571	0.8
197.12970	0.8
200.10838	1.5
202.12419	1.3
207.10291	0.9
214.15570	3.9
217.13457	0.8
227.11914	2.8
228.10339	2.8
229.29477	0.7
231.06671	3.2
240.07811	1.3
240.13364	0.8
243.13853	1.2
245.12981	3.8
245.15544	2.3
248.10820	0.7
262.15686	3.2
269.16284	0.7
271.13519	0.8
287.12952	2.7
289.14462	8.7
303.12384	2.4
310.15866	0.8
326.18698	5.5
344.19821	2.2
407.18671	11.1
409.20105	35.1
410.20380	3.9
415.14191	1.7
431.16483	3.3
479.01770	0.7
491.26669	100.0
492.26923	12.3
516.33221	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43484	3.0
57.03457	4.0
59.01389	89.1
69.25321	25.5
71.01386	16.5
73.02942	13.9
75.00884	5.3
80.56430	2.7
83.01405	5.2
85.02964	12.9
87.04530	42.5
89.02451	4.0
95.01364	2.8
96.96030	3.2
98.20757	4.8
101.02442	16.5
104.98410	2.4
113.02475	13.3
125.02474	4.3
136.31599	2.7
137.02422	7.8
150.03052	2.8
161.04587	3.3
213.76385	2.8
226.06999	3.0
269.17609	100.0
269.20563	5.0
270.17975	5.7
287.22095	2.7
293.17392	4.1
431.26682	4.4
451.95609	3.6
491.20456	14.3
491.28082	15.9
492.12796	3.2
492.20847	2.8
515.89709	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	491.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
60.01720	0.9
69.19399	0.3
70.94289	0.7
71.01387	2.3
71.71909	0.3
73.02973	0.5
83.01420	0.6
85.02976	1.1
89.02470	1.2
101.02457	1.6
108.46452	0.4
113.02455	1.6
152.01244	0.4
161.04587	0.7
167.03560	0.4
227.16563	0.3
244.42294	0.4
299.07355	0.3
389.22034	1.5
431.22482	0.7
449.27747	0.7
454.45093	0.4
481.97552	0.4
491.28757	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83441	1.0
55.01885	1.7
57.03451	10.8
58.00587	1.3
59.01389	100.0
60.01710	1.8
61.98541	1.7
61.98839	23.4
69.24432	7.8
71.01395	21.3
72.99302	1.9
73.02949	1.3
75.00887	3.6
77.50288	0.8
78.95893	1.4
83.01392	2.7
84.02155	2.0
85.02964	82.1
86.03300	2.2
87.00877	4.2
88.98798	1.0
89.02461	24.7
93.03475	3.2
95.01386	1.8
96.96015	4.2
98.20677	1.7
99.00887	1.3
101.02470	10.8
103.00381	2.1
108.02170	1.5
111.00880	1.5
113.02459	9.5
115.00400	1.1
116.92844	2.0
119.03523	10.4
125.02443	2.4
129.01917	7.5
131.03525	1.5
133.01492	1.2
133.02887	1.0
135.04567	5.8
137.02452	5.5
138.01024	1.6
138.01994	21.4
138.03085	1.3
142.44701	0.9
143.03511	4.7
147.03014	12.4
148.00887	1.0
149.02400	1.5
149.04538	1.1
161.04593	4.6
163.04031	1.4
167.03485	2.5
173.00905	1.1
175.02510	1.1
177.01938	1.2
179.03543	2.2
179.05615	13.1
191.02005	31.5
192.02271	1.0
197.04549	1.1
197.11809	1.8
205.05161	1.2
209.03040	36.2
210.03377	1.5
223.09732	1.4
249.06174	1.6
285.07611	1.0
311.04044	1.5
329.05182	18.7
371.06625	3.5
431.22873	5.0
491.11066	4.4
491.18286	7.4
492.18756	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.9
65.00331	3.3
68.99496	1.0
68.99815	5.3
78.95906	1.0
79.01907	1.3
83.01394	3.3
88.72351	0.9
91.01894	5.7
107.01399	1.2
107.05017	0.9
110.00129	9.9
118.96626	0.9
119.05057	15.0
120.05408	2.6
121.95763	0.9
123.00906	3.6
124.01679	1.8
132.05843	6.5
133.06633	4.8
134.03766	7.5
134.39592	1.1
135.00911	1.1
135.04506	2.3
135.08194	1.1
136.01669	3.2
137.02460	2.8
137.99596	5.8
147.04507	1.7
149.02457	2.6
149.06097	1.5
151.00397	10.7
152.01147	2.5
157.06541	1.0
161.02425	2.1
161.06006	1.2
161.09737	1.1
163.00401	8.7
163.04041	12.7
163.07626	1.3
164.04745	3.8
164.98283	1.0
165.01947	1.7
166.02692	5.0
167.03357	1.2
167.07191	1.0
175.04004	3.8
177.01932	2.5
177.05573	3.6
178.06392	9.9
178.99870	3.9
179.07132	2.1
187.04071	4.2
187.11310	18.0
188.11687	1.6
189.01854	1.5
189.05641	1.5
189.09247	28.2
190.09592	1.3
190.99864	2.9
191.03513	8.4
191.07133	4.8
192.07898	2.9
201.02003	0.9
201.05415	0.9
201.12679	1.0
203.03593	1.9
205.01314	0.9
205.05011	5.4
206.05844	6.0
207.06631	10.5
213.09143	1.1
215.03519	2.6
216.04196	1.3
217.05074	1.7
219.03101	1.2
219.06633	6.7
220.07396	5.7
229.05008	0.9
229.12369	1.9
229.19189	1.1
233.04628	1.6
234.05360	39.1
235.06110	17.0
243.06638	1.1
245.08234	1.8
248.06943	9.7
255.17792	1.1
259.13461	1.1
271.17075	1.0
301.14474	28.1
301.17850	1.8
302.14709	1.0
303.12372	7.2
309.11258	1.3
311.06342	1.3
324.02856	1.0
339.23239	1.2
351.12152	1.1
354.11215	1.3
379.11743	1.9
386.53702	1.0
404.16245	0.9
407.18643	8.2
409.19254	3.2
422.17392	100.0
423.17764	9.8
491.19025	2.1
491.24442	58.2
492.24884	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	491.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95791	1.1
59.01381	6.1
63.02402	1.3
65.00322	3.8
68.99817	4.9
71.54569	1.9
72.32098	1.3
82.95398	3.1
83.01398	1.9
83.61351	1.2
83.75603	1.3
91.01897	5.8
106.25406	1.3
107.01390	2.9
110.00081	4.9
116.97678	1.3
119.05042	6.0
121.82648	1.5
123.00894	2.5
124.01699	2.5
132.05814	4.7
133.06601	3.7
134.03770	21.8
135.04546	2.7
135.08217	1.7
137.02420	1.5
137.99677	6.0
147.54245	1.2
149.02463	2.1
151.00386	11.6
152.01128	3.8
161.02483	2.7
161.09660	2.0
163.00397	11.1
163.04024	13.4
164.04803	1.7
165.01965	1.9
166.02760	15.7
173.05881	1.3
175.04025	8.5
175.07668	1.5
177.01953	4.1
177.05562	5.3
178.06369	7.1
178.99875	2.8
187.04034	6.8
187.11287	11.5
189.09235	100.0
190.09534	5.5
190.99844	3.2
191.03514	8.3
191.07132	3.9
203.03615	2.0
205.05099	6.3
206.05830	5.0
207.06641	7.2
215.03436	3.0
215.07039	2.1
219.06628	8.3
219.10066	1.4
220.07350	5.6
225.90782	1.3
229.08708	2.8
233.04617	1.7
234.05324	31.2
235.06122	15.0
245.08296	2.8
248.06921	7.2
255.17595	2.3
261.14996	1.6
287.12943	2.1
288.24979	1.4
301.14478	70.6
302.14926	6.0
379.12024	1.6
391.24008	1.4
407.18613	13.9
409.19391	10.7
422.17389	91.0
423.17731	10.5
491.18066	1.8
491.24411	31.5
492.24472	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.5
61.98824	3.3
65.00339	5.6
71.54622	1.0
75.95008	0.9
78.95912	4.9
79.01897	1.2
80.08942	0.9
80.63779	0.8
95.05050	1.5
105.80801	0.9
110.03732	0.8
119.05050	1.9
125.06104	8.5
132.05814	12.8
133.06619	11.0
136.01668	1.6
149.06096	2.9
152.99648	6.6
161.09676	1.6
163.00414	4.2
164.01115	1.2
164.04785	7.2
175.04031	1.1
176.13506	0.8
187.11305	37.1
188.11652	1.9
189.01984	2.7
189.05556	1.6
189.09239	1.6
193.05124	1.0
203.07153	1.4
211.11359	1.0
217.19434	0.8
231.06644	3.7
233.08095	2.1
234.05356	1.6
235.13402	1.1
241.12473	1.2
247.09778	1.1
255.10439	1.1
255.23367	1.0
259.13446	2.0
285.11398	1.3
303.12375	10.3
304.12723	1.2
351.12088	1.1
377.13950	1.1
419.17975	1.5
422.17166	1.3
433.23923	1.3
473.23389	1.3
491.24435	100.0
492.24902	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	491.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27842	0.9
59.01388	6.7
60.06099	1.1
65.00324	6.5
68.99795	1.2
71.54354	1.8
72.71767	1.0
79.01904	1.7
81.82034	1.4
105.17106	1.0
119.05029	1.1
120.34255	1.0
125.06107	6.6
132.05843	10.8
133.06624	11.9
136.01645	1.8
148.05280	1.1
149.06090	2.9
161.09679	2.2
161.54092	1.1
162.79408	1.1
163.00409	1.1
164.04834	6.9
171.64174	1.4
175.04089	1.6
177.01962	1.3
187.11313	35.7
188.11574	1.3
189.01927	2.2
189.05600	2.2
189.09196	1.4
190.02774	1.4
203.07277	1.4
203.10796	4.1
204.07898	1.6
213.09134	1.2
220.36696	1.0
231.06580	4.4
232.07220	1.3
233.08322	2.3
235.13368	2.3
243.13936	1.1
255.10344	1.7
255.23332	1.5
259.13394	3.9
285.11304	3.0
287.13007	2.4
303.12390	11.6
419.18039	1.4
422.17365	2.0
473.23035	1.8
491.24438	100.0
492.24805	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	491.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92609	2.5
57.03453	4.3
57.07527	2.4
59.01386	100.0
69.39478	10.6
69.39899	8.2
71.01399	21.9
72.99319	3.8
73.02944	13.8
75.00887	17.3
79.43936	3.0
83.01436	4.3
85.02962	16.8
87.00890	5.7
89.02461	10.9
95.01399	3.1
98.95605	2.4
99.00890	6.1
101.02441	15.4
106.74029	2.5
108.02203	5.5
110.71582	2.3
113.02460	13.5
119.03538	3.2
123.04487	3.1
125.02481	4.8
135.04602	3.0
137.02435	10.2
137.09729	2.7
139.04062	5.2
151.04056	3.2
152.01181	8.7
160.05228	2.6
161.02473	10.1
161.04523	5.0
167.03473	17.2
170.02266	7.0
179.05640	5.5
179.10817	3.2
191.01962	2.9
221.87610	2.5
223.09746	17.3
249.06125	5.0
267.07379	7.8
285.03925	4.5
323.07892	3.8
329.14273	6.4
405.21243	7.2
447.22433	5.6
491.18823	54.1
491.28461	3.4
492.19427	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	491.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89999	0.4
58.02172	0.4
64.93650	0.4
65.00365	1.1
68.99879	3.8
69.88168	1.9
79.01945	0.5
83.01395	2.4
91.01916	4.4
95.01461	0.5
98.19849	0.5
98.55007	0.4
107.05083	0.7
110.00106	5.5
111.00921	0.5
115.05617	0.5
117.07117	0.4
117.23749	0.5
119.05097	0.6
123.00887	2.5
124.01744	2.0
132.05783	2.3
133.06609	2.6
135.08250	1.8
136.01761	1.3
137.02505	1.7
137.99606	5.4
139.00447	0.6
147.04591	0.6
149.02530	1.4
151.00389	3.8
152.01202	3.6
153.02098	0.6
156.00745	0.6
157.06665	0.8
161.06142	0.8
163.00397	6.3
163.04031	6.2
163.07719	0.8
164.01198	0.7
164.04924	0.6
165.02042	1.7
165.99120	0.6
175.04108	0.5
176.04929	0.5
177.01984	1.4
177.05586	4.2
178.06357	5.9
178.99930	2.0
179.07112	1.6
180.00735	0.8
187.11302	10.1
187.12872	0.7
188.04826	0.6
188.11723	0.5
190.99876	2.7
191.03535	4.3
191.07187	4.5
192.07932	3.0
205.01515	0.7
205.05093	7.1
205.06854	0.7
206.05797	4.3
207.06633	10.4
207.08508	0.5
208.07349	0.6
208.14680	0.5
215.03644	0.7
216.04428	0.6
219.06645	6.3
219.33603	0.5
220.07404	5.9
221.08263	2.1
231.06842	0.5
233.04668	1.5
234.02971	0.7
234.05354	17.0
235.06137	19.8
236.06662	1.2
243.06607	0.5
247.06180	1.6
248.06911	12.9
248.09286	0.8
249.07472	1.7
250.08463	0.8
257.11938	0.7
261.07770	0.7
309.11151	0.7
312.58051	0.6
351.12491	1.0
379.11865	1.8
394.18076	0.6
395.18546	0.9
415.22522	0.6
422.17377	100.0
423.17703	13.4
423.23203	0.8
427.87268	0.5
473.23145	1.1
491.24399	26.4
492.24734	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	491.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91951	1.0
55.01864	1.4
57.03463	5.4
58.50704	1.0
59.01385	36.3
60.41681	0.9
61.98835	1.8
67.01895	1.4
68.99827	2.9
69.03458	3.4
69.80928	5.2
71.01391	19.8
72.99316	1.4
73.02943	1.2
80.77328	1.0
81.59541	1.0
82.68069	1.1
83.01413	2.2
83.05043	1.6
83.23388	0.9
85.02959	21.2
87.00887	6.4
89.02471	3.7
92.41022	1.1
95.01392	4.7
95.67186	1.0
97.06639	1.1
99.00906	1.1
101.02463	4.6
103.00412	1.5
111.00925	1.9
111.08160	5.8
113.02459	23.6
115.00409	1.2
125.02407	1.2
129.01927	2.5
139.00383	1.3
152.01187	1.3
157.01422	2.6
163.03975	1.5
165.12860	48.7
166.13177	2.0
181.12308	1.2
183.13908	100.0
184.14256	3.3
205.07207	3.7
209.11935	5.1
227.12929	13.6
231.05028	1.3
249.06180	5.3
263.07706	9.1
267.11453	1.3
281.08810	31.2
282.09167	1.4
285.12451	1.8
286.13071	1.2
287.22333	4.0
288.94962	1.0
299.03943	1.5
301.16617	5.6
415.19852	4.8
431.27139	2.3
449.27673	4.5
459.18671	7.8
473.20410	3.4
491.10211	2.5
491.21490	85.8
491.28604	12.9
492.21750	10.5
492.28720	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	491.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	9.0
59.01385	58.0
59.87137	1.8
62.17741	1.7
69.03462	5.2
70.02242	5.2
70.02634	4.0
71.01389	28.8
72.99309	9.9
73.02952	4.4
75.00881	25.2
78.06300	1.7
83.01419	4.9
85.02962	33.4
87.00886	10.2
89.02472	5.9
93.03474	46.6
93.04033	3.2
95.01414	9.7
98.20625	2.1
99.00890	18.7
101.02460	5.9
103.00407	2.2
111.00917	3.4
111.08184	13.5
113.02469	44.1
115.00388	3.4
117.01950	3.7
121.02973	33.3
122.03398	1.9
129.02028	3.5
137.02466	100.0
138.03093	3.8
139.03999	2.1
165.09291	8.6
165.12871	88.2
166.13303	3.7
170.02219	17.2
175.02496	7.6
181.12372	2.0
183.13921	18.1
193.03561	6.6
194.05560	2.2
197.02501	6.8
207.10287	95.5
208.10626	4.6
209.11867	11.5
211.17035	4.0
223.09811	2.7
225.02007	2.2
227.12918	9.8
241.04976	2.1
241.14429	3.1
249.06158	26.5
253.01407	24.5
254.01601	2.7
267.07190	4.0
270.77145	1.8
281.00970	14.6
311.12906	4.3
353.08966	3.3
369.08389	3.1
371.09921	5.6
415.19781	12.1
420.66132	1.9
431.25732	4.2
459.18359	2.2
473.18454	14.6
473.25732	3.0
491.11438	19.5
491.20911	88.6
491.28146	3.6
492.10803	2.0
492.21194	6.6
517.98590	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	491.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.5
56.06849	2.1
57.03465	11.4
58.00601	2.5
59.01388	51.0
61.98845	2.0
69.03467	3.7
71.01395	32.0
72.99323	12.6
73.02965	4.2
75.00880	27.0
75.78616	1.7
80.02612	1.7
81.03423	1.6
81.67013	1.7
83.01398	5.4
83.05021	2.2
85.02962	36.2
87.00884	14.7
89.02466	7.6
93.03471	47.4
93.04031	2.9
93.98453	1.4
95.01411	8.5
99.00893	14.2
99.19829	1.7
101.02476	6.5
103.00375	2.5
109.03008	2.3
111.08179	12.5
113.02466	40.3
114.02796	2.0
115.00389	3.3
117.01970	2.7
121.02972	37.7
129.01924	2.8
137.02466	100.0
138.02972	2.1
157.01501	1.9
162.83983	1.6
163.03946	1.7
165.09210	7.0
165.12866	100.0
165.59578	1.7
166.13237	6.0
170.02209	16.4
174.53931	2.0
175.02515	6.7
183.13892	23.1
191.10886	3.4
193.03525	7.5
197.02551	7.7
207.10284	78.2
208.10606	4.1
209.11870	9.9
223.09758	2.4
227.12901	8.8
229.44237	1.7
231.05112	3.0
241.14497	4.0
249.06187	31.2
253.01456	26.9
262.41791	1.8
267.07300	6.0
281.00983	15.4
311.12906	6.1
353.08838	4.1
369.08151	2.7
371.10095	5.0
415.19952	13.9
431.25784	3.0
473.18182	18.0
491.11224	22.9
491.21091	96.0
491.27917	4.7
492.10645	2.0
492.21786	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	491.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	3.9
58.93504	1.4
59.01389	36.0
60.99312	3.9
61.98827	4.9
67.35445	1.7
68.99804	2.2
69.90656	7.0
71.01389	21.4
72.99312	4.7
73.02948	4.8
75.00889	9.8
83.01357	1.6
85.02956	22.5
87.00877	7.3
88.98817	31.1
89.02460	9.6
95.01408	3.7
98.20679	1.7
99.00881	5.0
101.02448	5.9
105.33980	1.6
105.79671	1.7
107.43696	1.6
113.02472	16.0
117.01951	3.6
119.03510	2.2
119.05109	1.4
135.04498	4.2
149.02489	1.7
161.04561	2.1
163.03944	2.5
168.31822	1.8
175.02495	2.9
179.10735	5.3
191.02010	2.0
197.11852	55.5
198.12135	2.2
231.04839	2.2
241.10809	3.3
241.74109	1.6
249.06145	12.7
267.07236	7.1
285.07785	4.5
315.14285	2.9
387.20239	8.0
405.21277	1.9
429.17410	4.5
473.16656	3.5
491.17780	100.0
492.18436	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	491.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43665	0.3
59.01117	0.4
59.01386	5.5
61.98833	0.3
70.00951	0.5
70.01350	0.5
71.01388	1.9
72.99297	0.3
73.02949	0.3
77.28466	0.2
83.01385	1.7
85.02965	0.7
87.00877	0.3
89.02433	0.6
95.01391	0.6
96.96013	0.3
97.76154	0.2
99.00849	0.4
101.02428	0.9
109.02960	0.9
111.00905	0.6
113.02451	0.7
123.00893	1.2
126.23270	0.2
137.02458	6.9
138.03268	3.2
139.04039	1.2
140.07793	0.3
143.03613	0.4
146.92134	0.3
149.86308	0.2
151.04010	0.8
152.01125	0.4
153.01921	0.5
165.09232	2.2
170.02219	19.7
171.02570	0.7
207.10272	100.0
208.10612	4.0
241.05083	0.3
287.22354	1.1
295.38971	0.3
310.12106	0.4
311.12897	1.5
319.81165	0.3
329.13809	0.5
329.23340	0.3
431.26569	0.9
449.27707	1.7
456.43317	0.3
473.18365	1.8
491.19296	29.9
491.28519	5.2
492.19604	3.2
492.27472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1928
Annotation	Toonaciliatin F
Peak:m/z	Relative Intensity
57.03454	0.8
59.01385	21.7
60.01715	0.6
61.98832	1.2
67.24364	0.6
69.23608	2.4
69.24038	3.3
71.01391	2.9
73.02951	1.8
75.00891	1.1
83.01407	1.9
85.02962	1.8
89.02489	1.6
95.01388	1.7
96.96030	0.7
98.19840	1.4
101.02434	2.0
109.02952	2.3
111.00928	1.5
113.02467	2.1
119.05054	2.9
123.00900	2.4
123.04517	0.7
125.02473	1.0
137.02466	14.9
138.03267	6.5
139.04042	9.3
151.04027	8.5
151.07697	0.8
153.01935	1.6
167.03587	1.6
170.02220	18.7
181.08763	5.0
184.03795	3.9
193.08713	2.2
195.06813	1.4
196.07024	1.3
197.11867	1.7
205.08733	2.4
222.08972	0.8
223.09784	55.1
224.10065	1.6
235.09818	2.7
243.06549	0.9
244.07437	1.0
287.09155	0.7
311.12952	1.0
328.13275	1.7
329.13971	5.8
406.12744	0.9
431.22693	1.0
491.19269	100.0
492.19611	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	491.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
65.84871	0.4
69.89295	1.2
71.01386	4.9
73.02962	4.8
77.14621	0.4
81.07133	0.4
87.00889	2.3
89.02456	29.7
90.02776	0.5
98.19971	0.6
101.02457	0.4
103.04030	1.3
131.03523	6.3
149.04572	100.0
150.04919	1.7
269.94705	0.5
320.47290	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1789
Annotation	Rhyncoside D
Peak:m/z	Relative Intensity
57.03459	3.1
59.01387	47.6
60.01722	0.7
61.01786	0.8
67.01871	0.6
68.99839	0.8
69.03461	1.1
69.17459	6.0
69.53967	0.6
71.01022	0.7
71.01391	12.6
71.04974	0.6
72.99308	2.9
73.02933	1.4
75.00880	9.4
78.95922	1.1
83.05026	1.6
85.02963	11.6
87.00890	4.5
89.02469	3.1
93.03474	1.0
95.01411	3.3
96.96041	4.5
96.96964	1.6
99.00893	6.6
99.04568	0.8
101.02470	1.1
111.00885	1.0
113.02457	13.3
115.00364	2.1
117.01936	1.6
119.08743	1.2
125.02458	0.7
129.01955	1.2
129.67447	0.6
135.04529	2.1
135.08195	0.8
135.11804	0.8
137.09749	4.7
153.09216	1.9
155.98860	0.7
161.09720	1.5
163.07677	1.6
175.02483	2.2
175.07768	0.6
179.10789	3.1
181.08742	4.1
197.08240	1.2
197.11877	3.0
203.22694	0.7
223.09793	1.9
231.05106	1.0
249.06155	12.7
267.07242	9.4
267.71588	0.7
285.04141	0.9
287.09665	0.7
315.14423	3.6
329.05560	1.9
329.13699	0.8
338.28491	0.8
371.06775	0.7
429.17648	2.5
431.15588	2.6
431.23151	0.8
473.16809	3.2
491.17743	100.0
492.18039	9.0
493.75607	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
59.01378	2.4
65.48219	0.6
65.85283	0.6
66.46655	0.6
67.27480	0.6
69.18700	4.8
71.01394	6.1
73.02953	3.7
75.00895	0.7
82.23405	0.6
84.28593	0.6
85.02964	15.5
87.00890	2.7
89.02456	28.6
99.20164	0.7
101.02457	0.6
103.04039	1.4
119.05116	0.6
129.01988	1.0
131.03526	7.9
144.75780	0.6
147.03021	1.0
147.93703	0.6
149.04575	100.0
150.04884	1.8
170.98566	0.6
182.18250	0.6
191.01982	6.3
203.52348	0.6
209.03026	5.6
209.04770	0.9
219.37526	0.6
251.05742	1.0
311.49414	0.6
355.06833	2.9
513.61200	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12116	0.8
57.03453	1.1
59.01386	2.0
63.23428	0.8
68.13699	0.7
69.03459	0.7
69.55178	3.5
71.01382	1.8
80.84834	0.7
81.03478	3.6
83.01385	7.0
85.02951	1.9
93.03473	1.7
95.01389	1.5
95.05048	3.9
97.02955	2.2
99.00809	0.9
99.04545	1.4
100.16633	0.7
101.02456	0.8
107.05061	0.9
109.02955	2.6
111.04534	1.4
112.64473	0.9
113.02436	1.7
119.05058	1.3
121.02985	2.2
123.04543	11.8
125.02461	7.8
135.04559	2.2
137.02452	2.7
137.06076	6.3
137.51894	0.8
139.04025	4.6
141.05650	0.9
147.04515	1.5
148.23634	0.8
149.06061	1.0
151.04012	2.4
153.05507	1.1
159.04570	0.8
161.06071	1.8
163.04012	2.8
164.04832	0.7
165.01936	2.6
165.05571	3.0
165.43005	0.8
167.03500	20.8
168.03864	1.0
179.03488	4.8
179.07114	1.3
180.04271	0.9
181.05101	2.2
189.05624	2.2
193.05025	4.9
197.04614	3.4
207.06654	1.7
209.04565	38.2
210.04955	1.6
220.03821	1.1
221.04561	12.2
223.06133	1.9
233.04623	1.1
235.06116	1.8
239.05602	10.9
248.03323	1.1
248.54898	0.9
251.05627	100.0
252.06000	4.4
263.05658	3.6
265.07190	0.8
269.06656	1.2
281.06699	66.4
282.07126	3.7
293.06738	4.3
311.07770	18.7
312.08032	1.4
323.07980	1.0
341.08939	1.2
353.08844	7.4
371.09900	14.7
372.10095	1.4
383.09781	3.6
401.11038	1.3
450.18695	0.8
473.13016	1.6
491.07922	0.9
491.14148	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	491.1173
Annotation	Isopyrenin
Peak:m/z	Relative Intensity
58.08580	1.1
59.01392	3.0
65.00336	1.5
71.37630	1.0
82.14824	1.0
88.28817	1.0
92.78132	1.0
99.92595	100.0
100.92625	3.7
115.92093	3.8
119.05041	22.3
121.02991	1.2
132.05818	5.6
134.03754	1.9
145.02957	2.0
151.00374	1.1
152.99597	2.1
161.09686	1.9
164.04845	2.9
177.09035	1.1
186.07089	1.0
187.11287	17.3
191.65193	1.3
201.05527	1.2
201.09174	1.6
217.96831	2.3
218.94572	2.9
218.97557	71.0
219.97688	4.8
245.08203	2.3
269.11862	1.6
303.12408	13.4
303.15668	1.5
321.11493	1.3
378.99451	1.2
389.17477	6.6
404.03629	3.6
405.04242	1.6
422.04611	2.2
422.17517	2.2
473.10480	7.6
474.11078	1.8
491.11838	70.6
491.23880	28.0
492.12073	8.1
492.24634	2.2
508.37357	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02691	1.7
51.49604	1.7
54.04300	1.9
57.03454	4.1
59.01390	26.0
60.99320	14.0
61.98837	2.5
69.38076	14.5
71.01385	10.8
72.99326	3.7
73.02948	3.5
75.00883	7.6
85.02959	16.5
87.00896	5.2
88.98815	100.0
89.02456	12.8
95.01383	3.2
98.20602	3.6
99.00887	3.5
101.02473	3.3
105.01966	1.9
113.02477	9.3
117.99179	1.8
123.04581	3.3
125.02470	3.7
129.01961	2.3
135.04504	3.0
149.02432	2.7
167.65958	1.9
179.10791	2.8
191.01909	3.0
197.11833	29.7
221.05775	1.7
223.09740	1.8
249.06264	6.4
267.07111	2.9
323.74551	2.0
387.20569	3.7
390.75125	1.9
405.21536	2.6
451.88901	2.0
473.17340	2.5
485.94885	2.3
491.11188	3.1
491.17801	61.5
492.18179	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	489.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31126	0.6
59.01386	100.0
60.01729	0.6
75.72755	0.5
78.95917	16.1
91.04011	1.2
96.96996	1.7
98.19846	0.7
150.98067	0.7
152.99596	28.8
171.00653	1.0
177.61530	0.6
257.00558	0.5
327.00931	0.6
355.32300	2.4
489.26404	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	490.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37952	0.4
52.59757	0.4
56.17117	0.4
57.03456	0.6
59.01386	2.2
69.32897	3.3
69.37891	0.4
71.01385	1.5
72.99314	0.6
85.02957	5.1
87.00883	0.5
92.05076	0.7
101.02446	0.7
104.03576	0.5
105.58951	0.4
108.04565	0.9
113.02527	0.4
115.00356	0.6
119.05031	1.5
120.01266	100.0
121.01598	1.1
125.02416	0.8
129.01979	1.3
136.04105	0.9
147.03008	0.4
152.03548	0.9
162.00558	0.4
163.04019	2.7
166.05170	0.4
173.00943	0.5
175.02560	1.2
191.02011	1.8
200.09355	0.5
209.04672	0.7
217.94225	0.5
239.05830	0.6
240.77693	0.5
281.06662	0.7
282.06140	1.4
297.59235	0.4
443.64410	0.6
490.10452	0.7
490.21405	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76242	0.5
58.08192	0.5
59.01386	5.8
62.88072	0.5
63.88545	0.5
65.00332	3.0
71.17329	1.2
71.17666	0.5
78.95909	48.7
89.00338	0.6
96.96973	6.0
97.02951	2.1
97.66211	0.6
121.02982	1.3
150.98056	2.2
152.99597	100.0
153.99948	1.4
165.01955	12.3
171.00633	3.8
173.09810	0.5
177.36891	0.5
199.11296	1.6
200.12065	0.6
255.17476	0.8
297.22305	1.2
299.01483	0.6
300.17099	0.6
323.23849	11.5
324.24176	1.0
335.25955	1.0
489.26395	21.5
490.26733	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60188	0.9
57.03448	1.1
59.01389	100.0
61.98834	1.3
69.03472	1.2
71.01392	19.0
71.19099	1.0
71.55092	1.6
72.16563	0.9
72.99327	2.2
73.02956	4.1
81.03434	1.2
83.01414	3.4
85.02958	10.0
87.00926	1.2
89.02452	1.9
97.02966	1.6
101.02451	7.2
113.02454	6.0
119.05025	5.5
123.65355	1.0
124.01781	1.4
125.02473	1.5
145.02974	1.7
174.27838	0.9
239.20139	1.3
249.18617	5.7
249.20978	1.1
267.06598	1.3
267.19571	6.4
285.20734	3.2
299.09229	1.2
308.47528	1.0
309.20779	1.1
320.06906	1.3
322.57297	1.1
351.82642	1.0
407.18680	22.7
408.19003	3.1
411.23889	10.0
429.24939	51.6
430.25253	4.7
447.25977	8.6
448.25937	1.2
471.26062	34.6
472.26535	3.1
489.27106	27.0
490.27426	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	489.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
57.03465	1.0
59.01387	100.0
59.92195	0.3
60.01727	0.7
61.98833	0.7
69.31649	2.9
71.01396	3.9
72.99319	2.0
73.02956	1.3
75.00903	0.7
83.01385	0.7
85.02959	8.7
85.47763	0.3
86.63969	0.4
89.02460	0.5
99.00908	0.9
99.92592	2.5
101.02472	1.5
110.44728	0.4
111.00919	1.2
113.02489	1.0
115.81538	0.3
116.92874	29.2
117.01987	1.9
117.92918	1.4
121.02988	2.9
129.01962	4.2
133.03023	0.6
134.03758	4.4
134.04613	0.4
135.04512	0.8
147.03012	0.9
149.06123	0.3
150.03365	0.4
161.04597	0.3
173.00993	1.0
175.04079	0.4
184.23032	0.4
189.05676	0.7
191.02013	2.2
193.05072	5.3
193.06606	0.5
195.06621	2.5
197.74701	0.4
199.82248	0.4
209.08269	0.8
216.91852	0.3
219.06723	0.5
222.88814	0.4
227.03577	0.4
251.05595	5.0
255.03154	0.4
256.03705	0.5
267.06818	0.5
284.03412	1.4
285.04080	4.1
303.79395	0.3
333.96582	0.4
351.04718	0.3
369.19394	0.5
387.20319	1.0
401.12448	0.4
489.10547	2.2
489.16913	0.7
489.27597	1.8
490.27301	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78322	0.4
57.03456	0.6
59.01387	100.0
60.01723	0.8
61.17288	0.4
61.98835	1.0
67.65214	0.4
69.03458	0.5
69.04584	0.4
71.01391	5.5
71.54978	0.9
72.99351	0.7
73.02959	3.1
75.00890	1.4
79.00928	0.4
83.01405	1.5
85.02970	3.5
87.00892	2.7
89.02448	2.7
95.01431	0.6
96.96048	0.8
96.96977	0.5
98.95620	0.4
99.00933	0.6
101.02454	4.1
108.13263	0.4
109.03004	0.5
111.37938	0.4
113.02454	3.0
115.00382	3.5
115.92033	0.4
119.03537	1.2
125.02424	0.5
133.03029	0.5
149.02466	0.4
149.04620	1.4
149.06007	0.6
150.03255	0.6
161.04610	1.6
175.02496	7.2
175.03970	0.8
177.09183	0.5
179.05692	0.6
191.02039	0.6
195.10292	1.3
249.06224	2.0
250.07109	0.6
261.98868	0.4
267.07208	2.8
283.06235	0.5
283.10178	0.5
298.04810	0.7
313.07281	0.9
327.05325	0.6
339.05133	0.7
341.06772	0.8
369.06128	4.3
370.06769	0.6
381.06833	0.5
399.07169	2.2
429.21442	0.7
447.29883	0.4
489.10446	5.8
489.16577	3.0
490.10648	0.6
490.17288	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05371	0.4
57.81798	0.3
58.89415	0.3
59.01387	100.0
60.01715	0.9
69.41293	2.5
73.02968	0.5
81.07832	0.3
81.11705	0.3
85.02958	0.5
91.97899	0.3
93.33318	0.3
98.19869	0.7
101.02467	0.4
132.35336	0.3
133.02977	1.6
151.00403	0.9
166.17545	0.3
277.35922	0.3
284.03400	0.6
285.04086	16.3
286.04504	1.1
394.82520	0.3
488.46432	0.4
489.10800	0.5
489.27628	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2287
Annotation	DORSILURIN F
Peak:m/z	Relative Intensity
59.01381	5.2
59.03898	0.6
65.00334	2.1
68.99845	1.4
70.09418	2.6
78.95908	7.6
79.19696	0.6
83.01428	1.4
88.04037	0.6
93.07123	0.5
95.12486	0.5
97.69075	0.6
97.71586	0.5
105.07150	0.9
109.06610	1.4
115.05536	0.9
119.05033	1.1
131.05052	5.0
132.05830	38.8
133.06631	10.8
143.05055	0.9
152.99596	13.7
161.06096	2.0
164.04811	20.8
165.05379	1.2
171.00699	0.7
175.04016	2.2
176.04759	1.3
177.99200	1.0
179.07147	3.1
187.11307	100.0
188.11646	6.1
189.01968	1.2
189.05640	1.6
190.06335	0.9
203.03439	2.9
204.04283	1.8
205.05087	20.6
206.05717	1.2
217.05074	1.3
218.05966	1.6
219.06592	1.4
232.03810	8.0
233.04559	12.3
233.11838	2.5
233.15512	0.6
239.89766	0.6
246.05389	1.8
257.11890	1.8
275.12958	1.1
301.10947	3.3
338.21921	0.9
377.09833	0.7
392.16046	1.2
393.17044	8.4
394.17245	0.9
420.15814	36.8
421.16086	3.1
489.22806	39.4
490.22992	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	489.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01718	1.6
61.98831	1.0
62.63984	0.5
69.43466	3.7
70.96074	0.5
71.01392	7.6
73.02959	3.9
75.00903	0.8
77.20079	0.6
82.99552	0.5
83.01414	0.8
83.90424	0.5
85.02962	4.1
86.74152	0.5
87.16329	0.6
89.02483	1.4
96.96043	2.1
96.96908	0.5
99.00922	1.1
101.02473	5.5
113.02467	3.6
117.03521	0.6
119.03536	1.0
119.04984	0.5
121.06666	0.5
125.02486	1.5
143.08191	0.5
151.03983	0.7
161.04620	2.8
163.11317	0.8
170.67075	0.5
181.12370	0.8
195.02951	0.6
203.05716	1.9
207.03134	1.3
207.13959	2.0
225.14938	3.7
267.16138	0.6
268.07886	0.7
283.06216	2.9
293.04562	0.6
295.06207	1.3
297.07788	2.4
307.10577	0.6
311.05725	1.5
322.04727	0.5
323.05829	1.4
325.07431	1.7
325.16806	0.8
327.12613	0.6
351.05426	1.0
355.08459	0.7
369.06036	4.1
369.19043	2.5
387.20190	4.1
399.07123	2.6
429.21524	3.1
445.11163	0.6
472.31192	0.6
489.10492	13.2
489.27222	1.9
490.10953	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	489.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.7
59.01388	100.0
61.98829	9.1
66.09909	2.6
69.33314	22.1
69.33730	7.3
71.01385	24.3
72.99328	4.4
73.02950	4.8
83.01395	6.7
85.02957	12.2
87.00890	3.0
89.02451	17.3
91.26640	2.6
96.96011	3.6
98.19892	6.0
99.00930	4.6
101.02441	13.0
113.02442	11.5
116.07193	24.1
117.07519	7.6
119.03496	6.7
150.99170	3.0
161.04559	6.1
165.12788	4.4
171.10228	4.2
179.05618	5.2
207.97095	3.3
284.05789	4.2
291.19653	3.8
308.17838	3.0
320.09207	3.1
325.07111	3.7
326.19736	5.9
327.07886	6.4
327.20163	10.1
429.24957	4.2
432.42328	3.2
447.21762	3.9
453.24969	65.2
454.25143	4.1
485.38498	3.1
489.13217	3.2
489.15402	5.4
489.22299	34.3
489.27405	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	11.7
59.85991	1.0
63.02394	2.1
65.00341	6.3
68.99821	1.2
71.01386	0.8
78.79469	0.7
85.76778	0.9
105.07129	1.0
106.04272	1.0
109.06629	1.1
109.12081	0.8
129.07152	0.9
131.08635	1.0
132.05830	13.7
133.06621	15.2
149.06175	1.4
151.00421	0.9
151.07643	6.4
161.09709	3.2
161.35065	0.8
164.04829	7.1
171.35374	0.9
175.07677	7.4
176.01141	5.5
177.05643	0.8
187.11307	46.7
188.11674	2.6
191.07150	1.6
193.08693	1.4
219.06631	42.3
220.06889	1.6
233.08182	2.6
237.07716	1.1
243.83507	0.9
245.08302	2.5
325.14539	2.0
335.66595	0.8
407.18661	100.0
408.19061	12.0
429.16840	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	489.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05672	0.8
58.00588	1.5
59.01387	100.0
65.00341	0.9
69.03442	0.9
70.10128	0.8
70.27304	0.9
71.01398	14.8
72.99327	1.2
73.02958	15.0
74.90362	0.9
83.01405	2.1
85.02960	8.5
87.00877	4.7
87.04508	1.4
89.02462	12.6
93.03427	1.2
97.02937	1.0
98.19879	1.8
101.02463	26.8
103.04029	11.6
109.02982	2.0
113.02451	2.0
115.03999	3.3
119.03525	5.7
119.05049	1.0
121.02965	1.3
125.02444	2.0
131.03506	3.5
133.02968	12.2
134.03711	0.9
135.04503	2.5
138.42328	0.9
143.03552	5.1
145.05096	3.4
147.04468	2.3
151.04002	1.6
157.48592	0.9
161.02484	1.9
163.00299	1.8
163.03978	2.2
163.06139	37.1
175.03998	3.6
177.01889	1.5
189.01962	0.8
191.03505	1.8
193.01486	1.2
199.04027	1.4
201.01974	0.8
205.07205	11.5
206.27411	0.9
207.02994	1.2
211.04021	1.3
213.05548	1.1
240.04353	1.0
265.09280	3.2
269.04538	1.0
283.05945	1.3
284.03278	8.2
285.04071	5.5
295.06027	1.5
297.04068	10.5
298.04803	7.1
299.05634	18.3
309.04019	2.1
311.05582	3.4
323.05560	1.1
325.03397	1.3
327.05127	94.1
328.05438	5.1
339.05112	3.4
351.05423	1.0
357.06223	18.8
358.06693	1.5
369.06180	6.3
387.19943	1.0
393.06125	2.5
399.07236	1.7
411.07196	1.0
429.08237	2.5
429.17789	4.8
447.09579	1.1
489.10464	21.7
490.10620	2.4
496.65585	1.1
504.67068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.5
60.71445	0.5
69.76238	3.2
78.04507	0.6
80.37822	0.5
81.23080	0.5
93.03477	0.8
94.08292	0.6
105.03469	1.0
117.03474	6.2
119.05042	90.7
120.05383	2.6
121.02969	0.9
138.82703	0.5
145.02975	2.1
149.02452	1.0
157.06656	0.9
161.02458	14.7
162.02835	0.7
175.03937	0.7
179.03575	0.8
208.05367	0.7
225.05560	1.2
225.13071	0.8
239.07158	1.3
239.25124	0.6
267.06638	17.8
268.07007	1.2
269.11871	7.7
281.08234	9.9
282.25339	0.6
287.12842	3.4
309.05942	0.7
389.17670	3.5
390.17978	0.7
393.80090	0.6
407.18665	100.0
408.19043	9.6
429.17090	2.0
489.11371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.19
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90170	0.6
59.01375	2.4
60.09480	0.6
63.02404	7.4
65.00335	13.0
68.04322	0.6
69.40874	2.4
69.41306	2.6
70.56184	0.8
79.20755	0.5
81.71703	0.6
83.01395	7.5
107.01406	20.0
115.15242	0.6
125.02456	1.0
151.00378	51.9
152.00693	1.9
152.99536	0.8
165.01938	1.5
169.01396	1.7
174.10556	0.8
177.01904	4.1
200.12073	5.6
201.12474	0.8
229.15955	4.0
229.35037	0.6
232.11075	10.3
253.21786	1.8
255.17567	47.7
256.17938	3.3
342.28864	0.6
385.88831	0.6
394.98761	0.7
407.18658	100.0
408.18985	10.7
429.16925	5.9
489.17685	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	489.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.8
64.21948	0.5
69.31142	5.7
75.37447	0.6
93.03474	1.2
119.05039	89.5
120.05369	1.6
121.02967	1.3
125.51257	0.7
145.02939	2.3
152.01166	0.8
157.06619	0.7
165.01895	0.7
175.03993	0.7
185.06110	0.7
185.09749	0.9
187.03966	1.0
190.06601	0.7
199.07533	0.8
213.09290	1.1
213.12881	2.7
225.12968	0.8
243.13995	0.9
257.11789	4.4
267.06757	0.8
269.11758	1.6
275.12894	1.3
279.06549	1.1
287.12903	18.6
288.13239	1.1
305.14020	2.5
377.17551	2.9
379.19397	1.1
389.17624	4.3
407.18661	100.0
408.19019	11.3
429.15598	1.7
448.72925	0.6
471.16113	0.8
489.17627	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.8
57.03428	0.8
58.00591	1.3
59.01384	28.7
62.12467	0.8
70.23041	1.8
70.23431	2.4
71.01389	17.4
72.30002	1.0
72.99319	1.5
73.02953	3.3
75.00907	1.3
83.01390	5.1
83.44663	0.8
85.02964	5.5
87.00343	1.8
87.00883	29.5
89.02458	1.4
96.96008	1.3
99.00881	1.6
101.02467	3.0
111.00891	6.2
112.98828	1.5
113.02480	3.3
115.00382	51.0
127.00381	1.9
139.00394	12.1
141.09245	1.3
146.06244	0.9
157.01439	25.8
174.05620	1.1
174.37433	0.8
175.02489	100.0
176.02837	2.4
178.01309	0.9
185.39333	1.0
207.05350	0.9
210.23056	0.8
226.12396	2.6
241.07458	2.5
241.14384	1.6
249.06142	1.5
267.07245	1.6
269.12991	13.5
283.06256	1.0
299.14157	1.6
313.11996	11.2
327.13525	1.5
341.11319	1.6
343.12885	3.4
369.06131	2.3
371.12473	7.2
373.14001	2.7
385.14053	1.1
399.07358	1.0
409.14041	8.6
427.15100	7.6
428.15363	0.9
429.13058	3.0
471.13565	0.9
489.09604	4.1
489.16574	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	489.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43346	0.4
58.00602	0.8
59.01387	59.3
60.01731	0.5
65.00321	0.9
66.01596	0.4
68.32899	0.4
69.83501	2.2
71.01384	5.7
71.41409	0.4
72.99317	0.9
73.02956	6.1
75.79926	0.4
77.03989	0.8
78.74371	0.4
79.01913	0.6
81.03458	0.8
83.01396	0.7
85.02959	3.5
87.00902	1.6
87.04518	0.8
89.02455	4.9
90.21935	0.5
94.71101	0.4
95.35809	0.4
97.02970	0.8
100.64745	0.4
101.02450	10.3
103.04021	3.7
105.03534	0.5
107.01428	1.1
109.03004	2.3
110.46659	0.4
113.02525	1.0
115.04028	1.2
117.03506	0.6
119.03517	2.3
119.05042	0.8
120.82999	0.4
121.02987	2.3
123.00806	0.5
125.02467	1.4
131.03497	1.3
132.02148	0.5
133.02969	15.6
134.03764	0.4
135.04552	2.4
137.02469	0.7
143.03558	2.1
145.05083	1.2
147.04506	1.3
148.01677	0.5
149.02466	1.6
151.04039	1.0
161.02483	1.7
163.00397	1.5
163.04082	2.5
163.06146	14.7
164.01025	0.4
164.06409	0.4
165.01967	1.9
171.04500	0.4
175.04027	4.0
175.97278	0.4
177.02007	0.8
179.03537	0.5
187.04053	0.7
189.01976	0.8
191.03517	2.2
193.01416	1.5
199.04045	1.4
201.01982	1.8
203.03467	0.7
203.57930	0.4
205.07147	4.2
209.06195	0.5
211.04059	0.9
212.04771	0.9
213.05585	1.7
215.03447	0.5
225.05502	1.3
227.03339	0.8
227.07008	0.5
229.05161	0.7
231.06647	0.5
240.04340	0.7
241.05096	1.2
243.02933	0.8
253.05078	0.9
255.02913	0.5
255.06625	1.0
256.03799	0.6
257.04547	0.5
265.09323	1.0
269.04520	0.6
271.06067	0.8
281.04480	0.8
283.06076	1.1
284.03314	9.7
285.04025	6.8
295.06076	0.8
297.04089	12.4
298.04831	7.9
299.05637	18.4
300.05917	1.4
309.04016	1.6
311.05679	2.8
323.05627	1.2
324.02332	0.4
325.03577	1.2
327.05124	100.0
328.05423	8.0
339.05151	3.0
341.06647	1.6
351.04929	0.7
357.06180	17.6
358.06418	1.3
365.06799	0.6
369.06219	4.8
381.06195	0.8
393.06085	1.8
396.04089	0.4
399.07217	0.6
429.08371	4.4
429.17624	1.2
447.09460	0.9
489.10425	21.2
490.10254	2.0
499.66687	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.2
59.01386	54.2
71.01391	6.8
72.20283	0.7
72.99326	5.7
73.02959	4.1
75.00876	2.0
81.03492	0.8
83.01382	1.6
85.02962	27.6
86.03307	0.8
87.00881	1.6
96.95995	0.7
99.00906	2.3
99.92595	9.4
101.02457	1.3
111.00896	3.1
116.92875	100.0
117.01951	8.7
117.03501	1.5
117.92883	4.3
121.02970	10.6
128.03493	0.8
129.01962	13.2
133.06625	0.8
134.03758	18.2
135.04524	2.4
147.03017	3.2
149.06065	1.7
151.07684	2.6
161.06073	0.8
173.00941	3.7
175.04045	0.9
178.02737	1.2
189.05565	1.6
191.01945	5.3
193.05081	18.5
195.06665	8.5
209.08145	3.7
219.06641	1.4
251.05643	18.2
251.08311	0.7
274.06516	0.8
284.03314	1.5
285.04065	2.9
313.06342	0.6
326.17984	0.7
489.10046	1.7
489.15607	3.4
489.26889	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51022	0.2
50.54773	0.2
59.01388	10.1
61.98849	0.3
63.02405	1.2
65.00340	0.9
65.63869	0.2
73.02968	0.3
79.30293	0.2
83.01405	0.8
85.02954	0.5
93.03469	0.8
95.01381	0.3
102.42265	0.2
107.01400	2.3
108.02208	0.3
109.02972	0.5
109.76968	0.2
117.03468	2.5
119.05048	0.5
121.02967	0.6
123.00873	0.4
123.04528	0.2
125.02466	0.4
131.04970	0.3
132.02248	0.2
133.02977	3.4
134.03731	0.8
135.04546	1.1
137.02487	0.4
145.02969	0.4
147.04507	0.3
149.02423	1.0
151.00395	3.3
151.04007	0.6
159.04500	0.4
161.02463	1.7
163.00410	0.2
163.04031	0.6
165.01947	0.8
167.05006	0.2
173.06050	0.3
175.04070	2.0
177.01912	1.6
177.05527	0.4
179.03510	1.3
183.04524	0.5
185.06165	0.2
187.04016	0.5
188.04745	0.4
189.01991	0.9
191.03537	0.8
198.03218	0.3
199.04051	1.4
200.04799	0.8
201.01979	0.8
203.03523	0.4
204.00613	0.2
205.01442	0.6
207.02997	2.9
209.06149	0.3
211.04001	0.8
212.04759	0.4
213.05580	0.3
215.03508	0.5
216.04324	0.3
217.05046	0.7
219.02968	0.9
221.04521	0.3
223.07704	0.4
227.03447	1.5
228.04124	0.5
231.02974	0.7
237.03854	1.0
239.03519	0.7
239.07179	0.5
241.05054	0.9
243.02992	0.4
249.03978	1.6
251.07202	0.5
253.08638	0.2
254.05783	0.3
255.03107	1.1
256.03809	3.3
257.04382	0.4
261.04053	0.3
265.05130	0.3
267.06735	0.8
269.04529	0.9
278.05716	0.3
279.04922	0.5
281.04623	1.5
282.05289	0.8
283.02679	0.8
283.06113	8.6
284.03299	50.5
285.04056	62.8
286.04401	3.6
293.04492	0.5
294.05176	0.3
295.06155	4.4
296.06580	0.4
297.04495	0.2
297.07675	5.2
298.08099	0.6
307.06189	0.9
308.03320	0.5
309.04163	0.3
309.07672	0.4
310.04819	0.3
311.05637	4.6
312.06070	0.5
322.04932	0.7
323.05646	4.6
324.05923	0.5
325.07208	5.8
325.15765	0.3
326.07590	0.5
327.05231	1.0
335.05783	0.3
337.07193	0.6
339.04941	1.1
340.05991	0.3
341.06647	2.1
342.03748	0.2
351.05139	4.2
353.06821	1.0
355.08246	0.4
363.05118	0.7
367.04565	0.3
369.06189	13.3
370.06534	1.2
372.04999	0.3
381.06110	2.5
382.06821	0.4
393.05872	0.3
397.05634	0.3
399.01938	0.5
399.07239	9.6
400.07574	0.8
411.07306	0.9
429.08231	0.9
429.88245	0.2
441.08179	0.4
445.11179	0.6
447.09467	0.4
453.08658	0.3
471.09225	1.7
489.10428	100.0
490.10767	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	489.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73598	0.6
54.47772	0.5
57.03438	0.6
59.01386	20.7
61.98838	4.1
71.01385	3.5
71.30554	1.2
73.02946	0.8
78.95918	1.1
79.01918	2.1
81.03476	0.7
83.01402	1.0
83.86702	0.6
85.02960	1.7
87.00893	0.7
89.02455	0.8
91.05557	1.3
93.03447	3.3
96.96010	1.9
96.96988	1.3
99.00888	0.9
101.02464	2.1
107.05074	0.6
111.04555	0.8
113.02450	1.0
117.03486	9.0
118.13879	0.5
119.05035	2.8
121.02933	1.2
122.73487	0.6
125.02448	2.1
133.02971	0.9
133.06631	1.2
135.04549	5.7
147.04527	1.3
149.02470	0.9
149.06119	1.4
151.04028	1.7
151.07669	4.2
159.04544	1.7
161.02458	5.8
161.04570	0.9
163.04022	1.6
172.69472	0.6
173.06059	0.9
175.02477	1.5
175.04015	2.1
177.01944	2.9
177.05600	3.6
179.03482	2.1
182.03777	0.6
189.01958	2.6
191.03534	0.8
195.04858	1.1
195.06641	14.2
196.05371	0.8
197.06113	1.6
203.03566	1.7
204.00601	0.6
205.01425	1.0
206.07414	0.7
207.03033	1.8
209.06065	0.8
210.06848	1.2
211.07689	0.6
219.02980	0.7
223.07416	0.8
237.03767	0.8
238.06259	1.4
239.07063	1.1
251.07181	2.0
253.08755	1.7
267.06842	2.1
268.07379	1.2
279.06744	0.8
281.04630	1.6
282.05197	1.2
283.06146	10.2
284.06500	1.1
290.67078	0.6
295.06152	13.2
296.06833	3.5
297.07700	66.5
298.08029	5.8
307.06189	4.5
309.07709	6.1
311.05682	2.2
312.05914	0.7
323.05640	6.3
325.07199	96.9
326.07523	6.6
327.05020	1.4
327.12363	0.8
328.05829	3.1
335.05734	1.0
337.07172	11.0
338.07571	1.4
341.06866	0.7
344.77731	0.6
351.05164	5.3
352.05341	0.6
353.06705	1.3
355.08258	25.7
356.08569	2.4
367.08255	2.3
369.06143	12.7
369.19299	0.7
370.06378	1.5
381.06003	1.4
387.20090	1.4
399.07129	6.8
427.10400	0.9
428.29950	0.6
429.21143	1.1
445.11459	26.9
446.11865	2.7
451.21942	1.4
471.09296	2.1
489.10397	100.0
490.10748	11.3
490.17276	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43346	0.4
58.00602	0.8
59.01387	59.3
60.01731	0.5
65.00321	0.9
66.01596	0.4
68.32899	0.4
69.83501	2.2
71.01384	5.7
71.41409	0.4
72.99317	0.9
73.02956	6.1
75.79926	0.4
77.03989	0.8
78.74371	0.4
79.01913	0.6
81.03458	0.8
83.01396	0.7
85.02959	3.5
87.00902	1.6
87.04518	0.8
89.02455	4.9
90.21935	0.5
94.71101	0.4
95.35809	0.4
97.02970	0.8
100.64745	0.4
101.02450	10.3
103.04021	3.7
105.03534	0.5
107.01428	1.1
109.03004	2.3
110.46659	0.4
113.02525	1.0
115.04028	1.2
117.03506	0.6
119.03517	2.3
119.05042	0.8
120.82999	0.4
121.02987	2.3
123.00806	0.5
125.02467	1.4
131.03497	1.3
132.02148	0.5
133.02969	15.6
134.03764	0.4
135.04552	2.4
137.02469	0.7
143.03558	2.1
145.05083	1.2
147.04506	1.3
148.01677	0.5
149.02466	1.6
151.04039	1.0
161.02483	1.7
163.00397	1.5
163.04082	2.5
163.06146	14.7
164.01025	0.4
164.06409	0.4
165.01967	1.9
171.04500	0.4
175.04027	4.0
175.97278	0.4
177.02007	0.8
179.03537	0.5
187.04053	0.7
189.01976	0.8
191.03517	2.2
193.01416	1.5
199.04045	1.4
201.01982	1.8
203.03467	0.7
203.57930	0.4
205.07147	4.2
209.06195	0.5
211.04059	0.9
212.04771	0.9
213.05585	1.7
215.03447	0.5
225.05502	1.3
227.03339	0.8
227.07008	0.5
229.05161	0.7
231.06647	0.5
240.04340	0.7
241.05096	1.2
243.02933	0.8
253.05078	0.9
255.02913	0.5
255.06625	1.0
256.03799	0.6
257.04547	0.5
265.09323	1.0
269.04520	0.6
271.06067	0.8
281.04480	0.8
283.06076	1.1
284.03314	9.7
285.04025	6.8
295.06076	0.8
297.04089	12.4
298.04831	7.9
299.05637	18.4
300.05917	1.4
309.04016	1.6
311.05679	2.8
323.05627	1.2
324.02332	0.4
325.03577	1.2
327.05124	100.0
328.05423	8.0
339.05151	3.0
341.06647	1.6
351.04929	0.7
357.06180	17.6
358.06418	1.3
365.06799	0.6
369.06219	4.8
381.06195	0.8
393.06085	1.8
396.04089	0.4
399.07217	0.6
429.08371	4.4
429.17624	1.2
447.09460	0.9
489.10425	21.2
490.10254	2.0
499.66687	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	12.0
60.35051	0.2
61.98837	100.0
66.51131	0.3
69.77433	0.6
69.77824	1.4
71.01409	1.2
73.02960	0.5
85.02984	1.4
91.83546	0.3
92.23074	0.3
96.96040	0.5
101.02457	0.6
113.02486	0.5
117.03514	0.3
119.03505	0.3
119.05068	0.4
121.02983	1.0
124.71362	0.3
125.02481	0.5
135.04555	0.6
136.01643	0.5
151.04050	0.7
161.02502	0.8
161.04590	0.4
177.01994	0.5
180.49937	0.3
191.01929	0.4
232.81158	0.3
237.07719	0.6
283.06223	1.3
295.06192	0.9
297.07715	4.2
309.07938	0.4
311.05994	0.4
322.33252	0.4
325.07202	5.7
326.10532	0.6
327.12558	1.4
328.05902	0.4
337.07361	0.6
355.08408	1.6
369.06149	1.5
399.07199	0.9
445.11243	1.7
489.10385	7.9
489.17441	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	9.0
61.98837	100.0
62.50173	2.2
69.43787	19.4
76.69842	2.2
78.95915	4.3
82.70878	2.2
89.01720	3.1
98.19920	5.9
102.26347	2.3
119.05033	13.8
162.46014	2.3
305.13800	4.1
425.19708	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28680	0.3
57.03438	0.8
59.01387	10.0
59.70872	0.3
60.85006	0.3
61.98843	1.4
69.03455	0.5
71.01392	3.7
71.67797	0.3
72.99294	0.3
73.02946	0.7
85.02985	1.7
87.00852	0.5
89.02452	2.0
95.01421	0.5
96.96048	0.4
98.19927	0.6
101.02459	1.4
111.08177	0.8
111.74751	0.3
113.02470	1.6
116.07189	100.0
117.07531	2.0
117.49884	0.3
119.03521	0.8
119.05027	0.5
132.02200	1.0
161.04604	0.4
164.87520	0.3
165.01964	0.5
165.12854	8.3
166.13170	0.6
178.02304	0.3
179.05627	0.5
189.01692	0.4
191.10799	0.4
194.06999	0.3
209.11909	0.5
212.04645	0.3
226.05936	0.5
227.06929	0.4
227.12872	0.5
236.04427	0.3
237.05463	0.7
238.06046	1.2
239.06682	0.5
241.05168	0.3
246.18610	0.3
253.04994	1.1
254.05499	2.5
255.06226	1.1
264.19714	4.8
264.55533	0.3
265.04694	0.4
265.19946	0.4
266.05832	0.3
267.05960	0.3
268.03549	0.5
269.04160	0.9
272.74786	0.3
280.03915	0.4
281.04425	2.4
282.05255	9.1
283.05713	14.0
284.06357	1.5
293.04456	0.8
294.05240	1.3
295.05765	2.0
296.06488	1.5
297.07428	1.7
298.08087	3.5
308.06592	0.6
308.18665	5.5
309.07614	0.6
310.04837	2.2
310.08215	1.1
311.05219	5.9
312.05777	0.4
322.04770	0.7
323.05188	1.3
324.05957	0.3
325.03271	0.5
325.07196	11.6
326.07535	28.0
326.19748	57.1
327.07764	2.0
327.19983	3.8
329.06265	0.8
336.05844	0.4
337.07266	1.1
338.07553	3.4
341.06302	1.0
355.08176	2.3
356.08585	7.7
356.12686	0.6
368.08838	0.5
368.20868	2.6
410.09805	0.5
427.09973	0.4
427.46982	0.3
428.10648	3.1
453.24924	0.5
488.12921	12.5
488.24954	8.1
489.12613	1.2
489.27066	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
61.20571	3.0
61.98837	100.0
69.43032	24.6
187.57666	3.4
212.59746	3.4
224.63400	3.6
252.22691	3.9
367.79797	3.6
389.69922	3.3
447.15662	3.4
507.68286	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	488.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77230	0.3
57.03453	0.3
59.01385	11.1
60.01725	0.4
61.32690	0.3
61.98835	100.0
71.01400	1.3
73.02941	0.5
79.00010	0.3
80.10478	0.3
85.02975	1.5
89.02437	0.6
89.87405	0.3
93.03494	0.4
96.96026	0.5
101.02464	0.8
106.06649	0.3
113.02455	0.7
117.03503	1.1
121.03001	1.2
125.02516	0.6
129.01927	0.3
135.04558	1.5
149.04524	0.4
150.05563	0.3
151.04015	1.1
158.19841	0.3
161.02522	0.9
161.04544	0.3
161.85536	0.3
175.04036	0.3
179.03464	0.3
189.02002	0.3
190.05144	0.3
232.15680	0.3
237.07542	0.3
237.51308	0.4
245.79704	0.3
249.06001	0.3
267.06802	0.3
268.84677	0.3
283.06122	1.4
295.06171	1.4
296.06934	0.5
297.07700	6.2
309.07669	0.6
311.05450	0.7
323.05807	0.8
325.07196	9.5
326.10333	0.4
327.05429	0.3
327.12558	0.9
328.05875	0.4
328.88892	0.3
337.07254	1.3
341.06784	0.4
355.08231	2.4
369.06271	1.6
387.20490	0.4
399.07404	0.8
404.18289	0.3
445.11438	3.2
451.23175	0.3
489.10367	12.2
489.17456	0.7
492.43469	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.0
69.52973	4.5
69.53378	2.3
79.54575	1.0
85.90121	1.0
98.20651	1.4
98.79856	1.0
100.58774	1.1
108.33016	1.0
115.53885	0.9
119.05039	30.6
128.58525	1.0
135.29283	1.0
151.23491	1.0
199.07657	1.4
204.08011	1.2
227.07117	1.6
227.10809	2.2
231.13942	1.1
270.12796	1.1
271.13422	2.4
333.42700	1.1
335.12927	2.3
347.12915	8.4
405.20731	100.0
406.20999	9.7
419.97531	1.1
440.90851	1.7
487.24789	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74618	0.4
57.03468	0.4
59.01387	100.0
60.01709	0.9
68.20757	0.3
69.40311	1.5
69.40733	1.5
71.01390	3.1
73.02971	3.8
75.00906	0.5
76.48123	0.4
81.34206	0.4
83.01401	0.9
85.02965	4.2
86.03294	0.5
86.52724	0.4
89.02473	1.1
101.02446	3.3
101.62155	0.3
110.02078	0.4
113.02488	1.2
119.03555	0.5
131.03519	0.5
143.03616	0.5
157.22417	0.4
161.04553	1.1
191.02075	0.7
205.12314	2.9
283.06299	0.5
390.92731	0.5
427.20218	0.5
487.17905	0.4
509.81543	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.198
Annotation	Terretonin
Peak:m/z	Relative Intensity
57.03440	1.2
59.01387	7.9
65.00323	2.2
67.33363	0.7
68.99828	1.2
69.59039	3.5
71.01388	2.6
83.01412	1.8
83.05041	1.3
85.02969	1.5
85.21723	0.6
91.01904	0.9
93.03477	0.8
95.01393	1.5
95.19222	0.7
97.02958	1.0
101.02492	0.8
107.01370	0.9
107.05039	1.1
108.02190	1.3
109.47948	0.7
110.00134	4.0
111.00890	2.8
113.02468	2.1
119.05047	14.5
121.02962	1.1
123.00880	1.9
123.08174	0.7
124.01657	1.4
124.30718	0.7
125.06084	1.5
125.07855	0.6
125.28881	0.6
131.05048	0.7
135.00835	0.9
135.08200	0.6
136.98824	3.6
137.02522	0.6
137.06136	0.8
137.99559	1.5
139.00447	1.0
143.05156	0.7
143.07153	2.7
145.03011	1.0
147.04533	1.0
147.06654	1.1
147.08182	0.7
149.02431	0.8
151.00449	0.7
151.04062	4.6
152.01147	1.8
153.01970	1.2
158.03757	0.7
159.04489	1.8
161.02332	0.8
163.00435	0.9
163.03963	0.7
164.01088	1.3
165.01971	0.9
165.12814	0.9
170.02397	0.7
171.04568	1.1
172.05312	0.9
175.03976	0.9
175.07730	3.0
177.02017	0.6
177.05579	2.2
183.13841	0.9
186.03215	3.9
187.04056	1.3
188.04819	3.1
190.02641	1.0
191.07259	0.9
193.01404	1.0
195.06680	1.3
197.08298	1.2
199.07726	1.2
201.05611	5.8
203.07222	3.6
204.04259	0.9
205.05011	1.9
207.06670	1.5
209.08128	0.9
213.05609	1.4
217.04929	0.7
219.06598	1.7
221.04573	1.3
227.07159	0.7
229.05026	1.1
236.06906	0.7
241.05107	0.7
243.06580	2.3
244.07349	0.7
250.04871	1.0
253.05173	0.9
255.06622	2.4
256.07333	0.8
257.04541	1.5
268.05875	0.9
269.08319	1.2
271.06183	3.2
273.07721	2.6
276.06384	1.6
280.10770	0.7
281.08179	1.7
285.13599	0.8
295.06268	0.9
297.07703	0.8
298.08374	0.8
311.09140	0.9
321.07779	0.9
323.09265	0.9
324.10077	0.8
325.14487	1.5
327.12518	0.7
337.14627	0.9
339.12396	10.4
341.10385	0.8
343.11823	1.3
346.10550	0.9
349.10712	0.8
353.13803	1.1
354.95096	0.7
357.13461	17.7
358.13803	1.6
361.12833	5.1
366.11108	1.2
367.12100	0.9
381.13425	8.5
382.13501	1.0
383.10748	0.9
384.12006	1.6
399.14474	8.3
451.25665	1.0
453.73056	0.7
469.18784	5.0
487.19781	100.0
488.20126	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	487.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46114	2.3
57.03434	7.3
57.21620	2.1
59.01390	15.9
59.87801	2.2
61.98839	5.0
69.03458	2.5
71.01374	4.1
71.53501	4.1
73.02948	5.0
78.70251	2.2
78.95900	3.1
78.98613	2.7
79.01903	18.3
83.01402	6.0
85.02967	12.8
85.06574	2.9
87.00887	19.3
87.04520	7.2
95.05036	16.1
97.06611	8.9
98.03746	9.2
107.05066	2.6
111.00874	8.1
113.06086	4.4
117.03390	2.2
119.05039	27.3
123.00948	5.3
123.08224	3.1
125.06105	6.8
125.09752	5.5
127.07690	2.6
133.06596	12.4
135.08185	3.1
136.01663	5.2
136.98811	2.9
137.99609	2.6
141.05603	9.4
143.05084	4.1
143.07156	12.5
145.02989	2.4
146.97432	2.2
147.06693	10.6
151.00391	36.1
153.09225	50.1
153.10489	2.8
155.07214	2.4
157.05067	27.1
159.04520	13.5
159.06627	8.4
160.05280	2.7
161.06055	3.2
166.99783	3.3
172.05338	3.1
175.06230	4.4
175.07664	22.7
177.05579	8.9
179.07161	7.1
185.02470	3.0
186.03262	17.9
187.03961	9.0
188.04765	7.6
189.05507	2.7
201.05605	21.3
203.07169	10.2
205.05103	16.5
207.10260	3.2
215.07005	2.4
216.06331	3.8
221.08234	3.3
230.05943	2.7
233.08229	8.4
241.05104	3.8
245.08131	17.3
256.03879	2.4
257.08466	2.8
269.04547	2.9
270.05447	13.9
271.06039	3.8
284.07013	2.6
285.07733	100.0
285.13141	6.1
286.08051	8.6
299.12933	8.9
311.12827	4.0
325.10959	2.6
329.13943	7.8
333.13489	4.1
337.14536	8.9
339.08191	4.8
339.12387	98.5
340.12656	6.8
355.12015	10.5
357.13541	8.3
361.13147	4.0
373.12912	63.1
374.13309	6.5
381.13593	9.8
391.13916	2.8
418.12866	2.4
469.18692	7.2
487.19781	82.8
487.34290	75.1
488.20154	11.3
488.34824	8.7
512.19318	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	487.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.3
61.98832	0.8
63.09576	0.5
71.01380	0.6
71.31721	0.5
71.32039	0.5
75.04356	0.4
77.97122	0.4
78.95918	2.3
79.95759	3.0
84.87536	0.4
85.02950	0.5
89.02500	0.5
96.96025	100.0
96.97013	2.8
101.02419	0.5
113.02477	0.6
134.30905	0.5
165.12833	0.8
183.13919	3.0
227.12962	4.6
261.30847	0.5
389.18170	1.0
487.25174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	64.1
57.03446	11.1
59.01383	90.0
61.98835	33.7
67.81879	2.5
68.99805	5.9
69.03443	4.1
71.01389	43.7
71.54740	2.2
72.99305	13.2
73.02953	7.4
75.00882	44.9
82.97629	2.3
83.01385	6.8
85.02956	53.7
87.00896	14.3
87.04524	46.5
88.04050	16.9
89.02448	15.1
95.01389	13.8
99.00898	22.2
101.02453	7.8
103.00406	4.7
111.00878	4.0
113.01723	4.8
113.02458	58.0
115.00396	3.5
117.01918	7.0
119.05025	6.4
129.01974	6.9
133.06528	2.8
135.11801	3.1
139.00385	2.7
157.01395	4.4
161.09726	21.0
163.03990	7.8
164.07047	2.6
175.02429	4.0
179.10791	12.6
191.01959	6.2
193.12334	6.5
219.10242	3.3
231.05130	6.2
237.11346	63.3
238.11678	3.8
249.03493	3.6
249.06149	69.3
263.07748	3.1
267.07224	100.0
268.07568	3.3
293.04620	2.8
311.05606	3.2
324.14505	4.6
325.14758	8.6
339.12366	7.3
455.15201	2.7
487.18213	91.5
487.25378	21.9
487.32083	4.2
488.18616	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	487.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69695	4.5
57.78011	5.0
59.01382	14.5
69.00603	4.7
70.93147	10.9
74.02497	5.3
85.02982	5.5
95.41058	4.9
99.54870	4.3
101.02458	56.9
127.95866	4.9
144.86952	6.1
145.01453	100.0
145.06248	10.1
146.04601	17.3
211.01035	5.0
221.82320	4.5
308.24557	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	487.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63227	1.1
57.03452	2.6
59.01383	4.2
63.38124	1.3
66.24506	1.1
71.01375	2.1
85.02961	10.1
87.00888	1.3
87.03336	1.4
89.02493	1.6
96.96021	4.5
98.95594	2.8
101.01884	1.2
101.02497	1.5
109.02935	3.1
115.92086	1.6
116.92867	6.4
119.05042	89.4
120.05358	1.7
121.02958	1.5
123.04538	2.3
125.02459	3.0
128.03532	1.4
137.02501	2.7
145.02968	4.8
147.02982	1.6
161.06071	2.5
163.04034	100.0
164.04373	3.9
165.01915	1.8
188.04822	1.7
191.01884	2.5
193.01309	2.0
205.05254	1.7
209.03082	1.5
244.85765	1.4
245.08105	3.1
254.19649	1.3
273.61697	1.3
289.07217	13.3
323.64282	1.4
325.09348	11.9
331.08289	5.1
401.63251	1.6
451.12369	6.8
487.14801	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1254
Annotation	Isoswertisin 2''-acetate
Peak:m/z	Relative Intensity
55.45181	0.5
56.02351	0.6
59.01385	65.6
61.98822	2.0
62.02597	0.6
64.60301	0.6
70.01399	1.4
71.01392	3.5
73.02937	1.0
85.02943	2.3
85.87124	0.7
87.00922	0.7
89.02439	1.0
96.96014	2.4
101.02448	0.9
105.03438	1.0
113.02412	0.7
117.03529	0.7
132.02184	3.1
134.03783	1.4
145.02959	1.0
149.02440	2.7
161.02443	0.7
179.03403	0.7
189.01903	1.4
197.61807	0.6
208.04991	0.7
209.06087	1.1
225.05617	2.5
236.04724	0.9
237.05617	3.8
238.06287	2.3
239.03561	1.5
252.15984	0.7
253.05078	5.8
254.05811	1.7
266.05856	1.5
267.03030	3.6
268.03705	2.4
269.08139	0.7
271.06351	0.8
280.03683	0.7
281.04565	12.5
281.07855	1.0
282.05356	57.8
283.05911	7.6
292.03867	2.0
295.06165	1.4
296.07083	1.1
297.07715	17.3
298.08194	1.2
307.06161	2.8
310.04846	11.2
311.05237	1.3
321.07565	3.1
322.04828	1.6
323.05484	0.8
323.09204	0.8
325.07196	78.2
326.07529	5.2
337.07104	3.8
349.07397	0.8
355.08258	2.3
367.08237	2.3
427.10355	28.3
428.10776	4.0
445.11060	0.8
487.12497	100.0
488.12866	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	486.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52232	0.5
59.01371	0.7
86.79279	0.5
88.04050	53.7
88.82999	0.4
89.04396	0.5
97.06613	0.4
134.72995	0.5
147.08171	2.3
149.09720	1.5
150.89648	0.5
161.09709	0.9
163.11288	3.2
166.85124	0.5
183.41316	0.4
187.11307	1.8
191.11958	0.4
197.48007	0.4
203.10602	0.5
237.58929	0.4
256.23694	0.5
265.12198	0.6
279.13840	0.7
280.14612	0.9
307.17023	0.9
309.22290	2.4
322.19470	0.6
337.21762	100.0
338.22134	10.6
338.26236	0.6
400.88281	0.4
486.26981	12.5
486.34534	0.9
487.27304	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1254
Annotation	Isoswertisin 2''-acetate
Peak:m/z	Relative Intensity
50.13201	0.4
50.88330	0.3
50.97307	0.4
54.16742	0.4
55.82223	0.3
56.27456	0.3
57.03472	0.4
59.01387	12.8
61.98834	2.2
69.44363	2.2
71.01389	2.9
73.02953	0.9
73.28670	0.3
75.00876	0.5
77.40290	0.4
83.01424	0.6
85.02951	2.2
89.02459	0.8
90.10986	0.4
95.01392	0.5
96.96062	0.4
98.20004	0.8
101.02457	1.0
111.68275	0.4
112.97281	0.4
113.02476	1.2
116.07187	19.9
119.05047	0.6
132.02170	3.3
149.02457	1.3
161.02449	0.8
161.04512	0.6
163.00415	0.8
165.12854	1.7
177.01984	0.5
177.05675	0.5
188.01123	1.3
189.01929	0.9
193.06668	0.5
194.07356	1.0
195.04564	0.5
197.06158	0.5
209.06136	1.1
210.06850	0.4
215.07228	0.6
223.04077	0.9
224.04790	0.5
225.05576	2.7
226.06354	0.6
229.01401	0.4
236.04895	0.7
237.05600	2.7
238.06351	2.6
239.03477	0.7
249.06104	0.7
251.03270	0.5
252.04269	0.4
253.05109	5.4
254.05881	3.5
263.03192	0.5
264.04196	0.7
264.19736	0.8
265.05090	0.9
266.05997	1.3
267.03134	2.1
267.06906	0.9
268.03775	3.1
268.07089	0.6
269.04269	0.6
277.05075	0.5
278.05893	0.5
280.03815	4.0
281.04559	10.1
282.05353	50.7
283.06003	8.5
292.03854	1.5
293.04663	2.5
293.07645	0.6
294.05301	5.9
295.06055	5.8
296.06985	1.6
297.07697	12.1
298.08105	0.5
298.74057	0.4
307.06140	1.8
308.18704	1.1
309.07709	3.6
310.04849	19.6
310.08401	1.0
311.05328	2.1
314.04477	0.7
320.03152	0.5
321.04059	0.5
321.07639	0.7
322.04861	6.1
323.05515	1.3
325.07193	100.0
326.07535	8.5
326.19778	10.8
328.05963	1.8
335.05612	1.0
337.07199	12.6
338.07724	0.5
340.05826	3.9
353.06519	0.6
355.08249	28.4
356.08569	1.8
357.30499	0.4
367.08289	1.7
381.10379	0.5
391.08524	0.8
409.09222	3.3
427.10287	8.9
428.10638	0.7
440.53122	0.4
443.22760	0.4
461.33356	0.4
476.54419	0.4
487.12476	32.3
488.12796	3.7
488.24960	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	486.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64784	0.4
55.01881	0.5
57.03453	1.5
59.01389	4.6
61.98838	100.0
63.78408	0.4
71.01381	1.9
72.99302	0.4
73.02934	0.5
75.00869	0.5
85.02958	9.0
86.03300	1.8
93.41416	0.4
93.77651	0.4
113.02499	0.6
116.91840	0.4
118.10205	0.4
119.05039	0.6
120.05347	0.5
129.01991	1.4
146.08623	0.4
147.03027	1.1
147.04518	0.6
163.04050	0.5
164.04407	0.5
191.01988	5.6
192.02383	2.0
224.43713	0.4
235.13612	0.4
277.07141	0.5
278.07648	0.7
300.31949	0.4
301.85309	0.5
338.86755	0.4
340.07675	0.9
343.73526	0.4
364.89127	0.5
487.18732	0.6
487.25577	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04555	0.4
51.97087	0.3
55.82100	0.3
57.03461	0.5
59.01388	5.1
61.98838	100.0
69.25239	0.4
71.01397	1.0
73.02937	0.4
79.88708	0.4
82.08415	0.4
85.02970	0.9
89.02457	0.5
98.20683	0.6
101.02464	0.7
106.84667	0.3
113.02448	0.4
134.02725	0.3
151.07697	0.6
166.22467	0.4
193.06688	1.2
282.05560	0.6
297.07733	0.4
310.05048	0.4
325.07156	1.8
349.07373	0.6
427.10452	0.9
448.22803	0.7
462.43179	0.4
486.19754	0.5
486.35483	0.5
487.12872	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57599	4.2
57.90567	4.9
59.01385	13.9
61.98537	8.3
61.98835	100.0
68.60161	5.3
70.66557	14.4
91.31824	5.7
100.74210	4.5
107.01387	6.4
113.06185	5.1
118.85913	4.6
119.05065	9.8
135.04526	26.9
151.00391	22.4
157.05132	6.3
163.07660	5.3
201.12781	5.9
210.44112	4.9
271.05878	6.1
271.17056	6.8
341.13751	6.3
357.63141	5.3
365.13998	7.1
397.24670	6.4
407.18668	8.0
423.18201	59.0
487.19690	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	486.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12572	1.9
55.16414	2.3
58.54710	2.0
59.01386	5.4
61.98839	100.0
63.25832	2.1
65.00333	7.1
69.22323	2.0
70.37288	3.9
70.37624	4.4
70.65126	2.2
71.91641	2.0
83.01395	3.9
107.01408	10.7
119.05044	4.6
131.04262	2.2
132.05841	8.8
151.00392	33.6
164.04819	5.4
165.01996	2.5
213.12891	7.4
232.69388	2.7
271.17072	8.8
317.00897	2.0
423.18207	75.0
423.23956	3.8
424.18472	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	486.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.4
61.60294	0.9
61.98837	100.0
69.43645	6.5
107.01446	0.8
119.05016	2.6
137.95001	0.8
151.00403	0.8
162.83960	4.0
188.85031	0.9
197.17270	0.8
200.42905	0.8
217.52426	1.0
405.16840	7.6
423.18173	2.1
486.33038	1.3
487.24969	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.9
61.98839	100.0
71.08834	3.4
95.73135	2.1
119.05053	2.5
454.19986	2.6
486.22214	3.3
487.34647	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.7
61.98838	100.0
70.95356	2.1
74.04034	0.7
91.01910	1.6
96.92638	0.8
111.54355	0.7
119.05045	25.5
120.05362	1.1
135.00893	1.8
137.02452	3.4
163.00388	10.0
210.83801	0.8
239.07251	1.2
255.06631	0.9
279.06668	1.0
283.06143	15.0
284.06500	1.1
328.12625	2.4
405.17325	0.8
423.18155	24.9
424.18481	2.7
487.19516	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.0
61.98838	100.0
100.57271	1.4
103.19669	1.3
119.05021	2.9
150.49171	1.4
162.83913	6.5
189.93141	1.7
305.59906	1.6
329.66531	1.8
347.52893	1.5
393.85095	1.8
423.18060	6.9
486.33038	2.7
487.25061	1.9
487.34283	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	486.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13765	7.9
59.01384	27.6
61.98842	78.7
70.88374	8.0
71.54100	9.7
86.42355	7.9
88.83401	9.3
90.74858	7.3
105.10189	8.9
110.62438	8.4
145.06624	10.6
150.30666	8.9
151.00426	11.7
153.30557	8.6
201.12790	8.3
231.06731	12.9
255.17540	15.6
423.18204	21.0
487.24664	21.3
487.34415	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71544	3.8
57.03442	5.4
59.01385	100.0
61.98838	27.6
66.04008	3.7
67.11288	4.0
71.01392	31.6
73.02961	8.9
83.01403	6.4
85.02959	50.1
89.02420	5.4
98.19931	9.8
99.00910	5.4
101.02457	18.4
102.62460	4.3
111.04498	4.1
113.02459	15.9
119.05013	5.7
125.02533	4.9
125.09731	5.2
127.07643	10.0
129.01909	5.1
130.59888	4.6
133.02953	5.3
136.05318	4.9
147.02977	4.4
151.07678	19.3
155.10641	5.3
161.04626	5.0
191.01930	4.7
208.69211	4.4
209.03082	6.2
220.43834	3.9
283.13358	6.1
285.04227	6.3
297.04025	7.4
298.04724	6.3
299.05679	11.4
327.05063	39.7
353.13766	4.8
353.19669	15.1
357.05975	7.8
441.36172	7.8
443.21790	4.8
444.69452	4.4
447.09390	25.5
449.09692	6.8
467.34024	8.6
484.33844	5.0
485.24280	31.7
485.34933	39.1
486.24368	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	485.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.8
57.03460	6.1
58.00593	2.0
59.01387	76.1
61.98829	3.5
69.03474	2.4
69.26392	8.5
71.01390	100.0
72.01755	1.4
72.99307	4.8
73.02956	36.4
73.03368	1.9
74.03304	1.0
75.00874	3.1
81.03485	1.7
83.01399	15.4
85.02957	51.3
86.00120	2.0
86.03287	1.7
87.00889	5.2
89.01924	1.1
89.02452	21.3
95.01405	6.8
96.56679	0.9
96.96011	3.7
97.02958	4.0
97.06635	1.2
98.20663	2.3
99.00894	19.4
99.04534	1.3
101.02454	72.4
102.02765	1.1
109.02966	1.0
111.00901	1.8
113.02460	38.6
115.04024	2.9
119.03532	2.5
119.05063	1.1
123.00906	1.0
125.02477	6.8
127.07629	2.4
129.01964	2.6
131.03490	5.5
133.02983	1.3
143.03497	5.5
149.04568	3.1
151.07672	2.9
159.03032	9.5
161.04572	50.7
162.04884	1.4
191.01930	1.7
191.05611	1.4
205.03606	1.7
233.06691	4.3
250.05185	1.0
263.16461	1.2
285.04028	1.8
287.14032	1.0
293.08890	2.3
299.05652	2.1
323.03607	1.0
327.05157	6.9
353.19717	99.1
354.20120	7.5
374.22202	2.4
399.23828	2.1
447.09375	5.9
467.33765	2.7
485.18433	3.5
485.24005	86.2
485.34329	5.2
486.24313	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	485.2047
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
55.01876	1.9
55.86463	0.8
56.88066	0.7
57.03455	11.2
58.00600	0.8
59.01389	39.1
62.98675	0.8
66.88885	0.7
69.51324	5.4
71.01389	6.1
72.99288	0.8
75.00876	1.3
83.01382	1.9
84.02178	2.9
85.02962	85.5
86.03310	1.4
87.00908	0.8
93.03439	1.0
95.01349	0.8
96.96025	1.1
101.02437	2.1
101.07838	1.0
102.08662	0.8
103.00378	1.6
104.52887	0.8
107.05054	1.2
109.02962	1.6
110.37976	1.0
111.04513	1.2
113.02481	4.5
117.03474	5.5
118.86037	0.7
119.03536	0.9
119.48314	0.8
121.02901	0.8
125.02453	10.1
125.06088	1.5
129.01944	7.4
133.02963	3.8
134.03723	1.5
135.04541	1.9
136.05290	2.4
139.07648	1.4
147.03012	10.7
147.99756	0.9
149.02440	3.2
151.00400	1.7
151.07655	1.8
152.08411	1.7
153.09116	1.0
161.02487	3.1
161.09770	1.4
167.03510	2.1
179.05586	0.9
185.07094	0.8
185.09818	1.1
189.05693	0.8
189.09300	1.1
191.02005	33.7
193.01404	4.7
201.12860	9.2
203.10782	4.2
204.11572	19.2
205.11876	1.6
209.03084	2.0
219.13918	20.4
220.14215	1.0
243.13907	1.8
245.11841	2.5
245.68080	0.8
263.12906	100.0
264.13162	7.7
269.04550	5.1
277.14716	0.8
284.03311	7.3
285.04077	13.7
286.04242	0.8
287.05295	1.8
287.12894	3.5
297.04114	2.4
298.04736	1.6
299.05624	3.3
305.14017	4.7
313.05875	0.8
327.05133	17.5
328.05487	2.1
329.05862	1.7
357.06104	5.5
378.28516	0.8
447.09314	25.0
448.09457	2.1
449.10477	5.6
467.11801	1.5
485.10846	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1823
Annotation	CHEBI:66712
Peak:m/z	Relative Intensity
59.01365	1.6
61.98835	0.7
72.61182	0.5
73.14698	0.5
78.72890	0.5
83.01385	0.6
85.02955	1.4
93.03416	0.8
95.01314	0.5
98.19852	1.0
119.05041	100.0
120.05402	3.0
124.43903	0.6
144.05821	0.8
145.02951	1.6
151.00365	0.5
157.06573	2.2
159.04448	0.7
159.08186	6.4
162.83922	1.0
172.05255	0.6
175.07610	1.5
177.09250	0.5
180.71098	0.5
185.06100	0.9
186.03256	2.0
187.04007	1.1
188.04742	1.1
190.01378	0.6
201.05559	2.6
203.07162	24.9
204.07516	1.4
221.08191	17.5
222.08438	0.7
229.48799	0.7
259.06180	0.6
279.06613	0.6
285.03888	0.7
295.21634	0.6
297.04156	0.9
301.07489	0.6
323.12909	97.8
324.13254	9.5
327.05179	2.9
327.08658	1.2
327.12378	14.4
328.12701	1.3
447.09390	2.1
449.10040	0.6
485.18564	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	485.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05364	1.1
55.01875	3.1
57.03457	16.8
58.03783	1.2
59.01385	15.2
61.98831	8.3
65.06174	1.1
67.01893	1.6
68.99852	1.1
71.01392	27.5
72.99319	13.5
73.02951	2.5
75.00918	2.4
76.36507	1.2
78.95931	1.4
83.01389	4.1
84.02172	3.4
85.02962	100.0
86.03311	2.4
87.00879	4.9
89.02485	2.4
93.03455	1.2
96.96043	1.6
98.20599	3.2
99.00896	2.6
101.02436	2.1
111.00912	13.1
113.02439	2.2
115.05486	1.7
116.33897	1.1
117.03490	2.2
119.05045	57.2
120.05348	2.2
125.02397	1.3
129.01967	56.2
131.05013	3.6
133.06601	1.9
135.04617	1.6
145.03003	7.3
147.03015	19.6
147.04524	16.4
151.07637	1.3
152.99554	1.4
161.06096	6.3
163.04031	94.2
164.04405	2.2
173.00903	11.1
177.05571	1.4
187.07658	3.3
191.01994	35.7
215.07146	4.3
277.07199	37.0
285.03918	1.5
293.06488	1.4
299.05658	2.8
303.05157	1.1
321.06345	3.3
327.05228	11.7
328.05508	1.5
337.05753	4.8
339.07330	2.0
357.06082	2.7
368.06244	1.2
378.10330	1.3
425.21567	2.3
431.83490	1.6
440.16721	1.3
447.09354	10.4
485.18524	4.7
485.24753	2.0
485.34418	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89379	0.7
55.01873	2.2
57.03456	13.4
59.01389	15.3
61.98832	4.7
69.36893	5.8
71.01395	12.2
72.99307	4.3
73.02935	1.1
75.00870	1.0
75.58503	0.8
81.03474	0.7
83.01400	3.1
84.02190	2.1
85.02962	100.0
86.03303	2.0
87.00891	2.8
96.96023	1.2
101.02452	1.5
103.00410	0.7
111.00897	3.1
112.86132	0.9
113.02471	2.2
117.03452	1.4
119.05037	8.8
125.02472	2.1
129.01958	14.9
130.02257	0.7
131.05011	1.0
133.02943	1.7
145.03003	2.4
147.03024	11.7
147.04530	6.4
149.06079	1.0
161.06149	1.6
163.04027	10.7
173.00963	2.5
187.07748	1.2
191.02011	68.7
192.02405	1.5
215.07085	1.0
269.04715	0.7
277.07187	8.9
283.17566	0.9
284.03098	1.3
285.04202	1.9
299.05698	1.1
321.06097	1.7
327.05121	9.3
328.05426	1.7
337.05569	1.1
339.07239	6.9
357.06268	1.8
447.09525	6.3
485.24374	1.4
485.35211	1.1
498.72159	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20601	0.5
57.03457	0.8
58.26384	0.4
59.01389	3.1
61.83110	0.5
61.98838	100.0
66.62007	0.5
69.41273	3.2
69.41680	1.0
71.01402	3.1
72.99330	0.5
73.02970	0.7
75.00887	0.9
85.02969	5.0
87.00896	0.6
89.02460	1.3
99.00925	0.9
101.02477	1.6
113.02483	1.4
119.05092	0.6
129.01971	0.8
133.59842	0.5
145.33757	0.5
149.77814	0.5
163.04097	1.1
163.06151	0.6
175.60193	0.5
191.02060	0.7
205.07359	0.7
257.60678	0.6
276.17401	0.6
327.05215	0.7
328.05692	0.7
355.28033	0.5
411.20575	0.7
484.23248	9.7
484.73389	3.9
485.23776	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31234	0.2
53.39663	0.2
59.01377	0.7
60.84440	0.2
61.98838	100.0
71.02489	0.4
75.41181	0.3
75.41656	0.3
85.02962	1.2
100.88789	0.2
109.65871	0.2
147.02997	0.4
191.02007	0.4
500.55853	0.3
507.21762	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45486	4.3
56.69034	3.6
57.03448	8.8
58.99633	4.2
59.01387	43.9
61.98852	5.5
63.11411	4.3
69.83000	21.1
71.01393	58.4
72.99319	6.1
73.02954	23.2
75.79546	4.6
83.01389	4.7
85.02978	25.8
87.00913	6.7
89.02455	11.9
95.01438	4.4
99.00881	6.9
101.02446	49.3
108.82514	3.7
113.02467	24.4
125.02451	4.7
129.01929	4.3
131.03500	4.3
159.03009	7.0
161.04582	20.3
169.27673	4.1
206.99785	3.9
291.18161	100.0
292.18591	6.5
327.05115	22.1
335.16959	4.2
357.06256	5.6
357.10544	4.0
423.22382	85.1
424.22934	6.1
447.09253	18.7
484.23547	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	484.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57209	2.5
59.02984	2.1
61.98839	100.0
65.00319	2.3
78.95905	5.4
109.91486	2.1
118.57845	1.9
152.99579	5.7
165.01961	10.9
179.33945	1.9
180.71585	1.9
197.25017	2.0
209.95235	2.0
232.11055	3.6
255.17560	13.2
255.23349	17.1
256.23648	30.8
421.20215	20.8
484.27554	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	483.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98837	1.1
71.01386	4.2
72.94500	0.9
75.00916	1.0
85.02948	1.5
89.02484	0.9
94.63253	0.9
96.95981	1.5
100.02039	0.9
113.02436	2.3
119.05040	1.6
121.02943	2.0
133.02982	1.9
161.02351	1.1
162.03506	0.9
163.13983	0.9
284.03329	1.4
285.04089	2.1
297.04111	2.6
299.05569	3.8
306.81888	0.9
327.05139	17.3
328.05478	1.4
357.06042	4.5
447.09366	13.8
448.09607	1.4
483.19366	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	483.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34483	2.7
55.24374	2.3
57.33720	2.8
61.98827	3.0
65.00333	73.4
69.24920	10.2
69.25356	13.7
79.05535	2.6
95.05054	5.6
97.02946	3.3
98.19946	5.2
107.91353	2.5
109.06616	3.2
117.03484	7.1
118.28874	2.9
119.05038	48.2
121.02928	3.1
123.00877	5.4
131.05049	5.2
132.05795	2.8
133.02898	3.1
133.06616	87.6
134.06935	5.7
137.06091	27.5
145.02928	4.5
161.06068	4.7
163.82597	2.6
177.05595	89.3
186.03195	5.0
189.02017	2.8
193.08611	4.0
201.05518	2.9
202.02113	3.3
204.04207	7.3
209.08228	3.9
229.12390	19.6
233.11853	4.5
245.11786	2.8
247.13570	3.4
261.14990	100.0
262.15231	7.4
273.11386	16.6
277.14185	3.7
285.04074	3.2
297.03949	3.5
298.04807	4.0
299.05545	4.6
305.13968	34.5
327.05045	30.6
357.06241	11.1
385.75143	2.7
396.20718	3.0
423.18234	4.8
447.09317	22.3
451.17072	3.2
465.19101	6.9
483.20395	39.7
484.20850	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	483.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32326	0.5
59.01386	100.0
60.01730	0.9
60.25204	0.7
71.01386	4.4
71.54201	0.6
71.54609	1.0
74.02210	0.6
85.02986	0.8
85.04022	0.6
89.02502	0.8
96.96032	1.9
101.02514	0.8
113.02441	1.1
119.03500	0.9
119.05083	1.1
121.02979	2.4
152.99651	0.7
155.01505	0.6
209.11896	0.8
281.64410	0.7
284.03369	1.6
285.04135	1.2
297.04242	2.9
299.05719	2.5
327.05148	12.5
328.05450	1.9
339.05389	0.9
357.06287	2.8
423.13782	1.0
447.09323	9.9
447.14609	0.9
448.10339	0.8
466.04550	0.7
483.20459	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76860	1.1
60.64553	1.1
69.50100	7.6
78.95911	38.9
85.79678	1.2
96.96976	2.7
136.22411	1.5
152.99603	58.6
171.00648	15.3
208.87468	1.3
227.03319	3.8
245.04324	100.0
246.04610	2.5
253.21751	58.7
254.22031	3.9
481.25812	32.8
482.26181	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	483.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88894	0.3
57.03450	0.6
59.01371	0.3
66.22766	0.3
70.84540	0.8
71.01383	0.7
72.99315	0.4
79.95748	3.1
85.02957	3.8
96.96024	100.0
97.95939	0.4
101.67684	0.3
108.86606	0.3
109.02952	0.9
112.57475	0.4
119.86826	0.3
121.02898	0.7
123.00911	0.5
125.02457	5.4
135.04483	0.4
137.02467	3.0
139.04005	1.1
149.02455	0.7
164.01039	0.4
165.01961	1.4
167.03545	1.3
175.04001	0.4
177.01949	4.4
177.05673	0.5
179.03511	1.4
191.00478	0.3
191.01991	1.3
191.03543	0.4
203.08179	0.6
205.07249	0.9
209.03058	1.0
219.06677	1.1
220.51649	0.3
221.04640	0.7
223.04671	1.0
234.99406	0.6
255.05167	0.8
261.07767	0.4
273.07834	0.4
284.27124	0.3
287.05750	0.4
289.04868	0.4
299.02292	0.4
305.06711	9.3
306.07181	0.6
434.74335	0.4
472.01611	0.3
483.09650	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11149	4.3
55.01880	5.9
59.01390	28.0
68.63263	3.2
69.54321	16.6
71.01390	65.7
73.02956	21.5
73.21355	3.0
83.01386	9.5
85.02957	36.1
89.02437	9.8
99.00885	13.8
101.02457	38.7
104.75206	3.4
106.42922	3.3
113.02463	28.7
125.02438	5.4
129.01952	4.3
140.38628	3.5
149.83501	3.6
159.02966	10.4
161.04582	30.7
226.74557	5.0
289.16626	100.0
375.21814	3.5
404.39725	3.5
421.20880	67.6
422.20898	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	481.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	4.4
57.03450	4.7
59.01385	89.9
61.98829	8.9
69.32013	11.2
70.76139	1.4
71.01391	57.9
72.99306	2.0
73.02951	19.6
75.00883	2.8
83.01402	11.2
85.02962	34.8
85.03479	2.1
87.00903	2.6
89.02474	6.2
90.55857	1.2
94.18152	1.5
95.01408	3.9
98.20695	2.7
99.00902	8.0
101.02457	42.8
111.00885	1.8
113.02469	23.4
115.18980	1.3
125.02479	3.1
129.01949	5.3
131.03516	43.2
136.04062	3.8
138.05591	3.7
140.45683	1.6
145.03001	1.4
145.21970	1.4
149.04491	1.6
151.07671	10.9
158.22043	1.4
159.03046	4.2
161.04576	28.1
205.03506	3.1
213.10515	1.7
275.10294	3.9
289.16602	100.0
290.16867	6.0
297.03900	1.6
421.20837	19.6
422.20926	2.1
445.20764	1.9
481.19019	2.7
481.32013	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	481.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
71.54002	1.3
74.65805	0.8
91.01907	25.2
96.43156	0.9
96.96100	0.7
119.05029	1.9
132.05823	12.3
135.00906	42.4
136.01221	1.3
140.93817	0.8
149.02396	1.2
153.01953	17.3
158.84656	3.3
164.04811	9.3
185.09734	0.9
187.11301	37.9
188.11574	2.3
214.62560	0.8
236.64404	0.9
281.11737	1.0
311.02328	2.0
323.12943	40.6
324.03204	4.4
324.13412	3.9
325.03714	1.2
338.01019	3.4
356.02090	5.5
377.06927	2.5
379.08630	14.5
403.08932	1.3
407.18637	1.2
421.09750	100.0
422.10043	8.3
423.07480	1.1
481.11899	1.1
481.19049	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56257	0.5
55.01882	4.1
56.47882	0.5
57.03456	2.7
58.00599	0.9
59.01389	21.0
61.23684	0.5
61.98842	3.2
68.99816	0.8
69.03439	0.7
71.01391	36.6
71.05048	0.4
71.06095	0.6
71.06422	0.8
72.01735	0.7
72.99304	2.0
73.02956	16.8
75.00878	1.7
78.95906	3.6
79.88370	0.4
81.44153	0.4
83.01395	7.9
83.05017	0.5
85.02963	22.4
86.00115	1.1
87.00874	2.4
87.04509	0.7
89.02451	5.0
95.01385	3.2
96.96033	0.5
97.02961	1.3
99.00892	5.4
101.02457	28.8
111.00876	4.1
113.02464	14.5
114.14095	0.6
119.03497	1.7
125.02429	1.0
129.01967	1.1
141.01918	0.7
143.03511	1.3
151.07741	0.6
152.99594	2.8
159.03009	3.8
161.04567	9.1
164.93068	0.4
165.05641	0.7
185.15492	1.3
191.01993	0.5
212.40242	0.5
213.18600	1.4
315.25452	3.5
317.27005	9.8
318.07666	0.5
403.54651	0.5
461.30392	0.5
477.30649	2.2
479.32281	100.0
480.32651	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	480.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54823	0.5
59.01381	1.9
60.32114	0.5
61.98837	100.0
63.68715	0.6
69.30242	4.8
71.01392	1.4
85.02972	2.1
86.28918	0.5
89.02473	1.2
92.16080	0.5
93.03490	0.7
95.59039	0.5
96.96006	0.4
98.19944	1.0
101.02504	0.7
108.59198	0.5
118.19019	0.6
125.02464	0.5
158.88799	0.6
316.84796	0.5
327.05145	0.7
404.51468	0.6
405.64316	0.5
480.20584	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3095
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
59.32739	1.1
63.47604	1.0
68.34869	1.1
69.76146	6.1
71.43459	1.2
77.36862	1.1
78.22425	1.1
78.95908	20.3
92.32444	1.0
94.73770	1.0
100.50307	1.1
131.38947	1.2
140.01198	5.1
152.99593	5.0
189.93806	1.1
196.03841	9.5
214.04813	1.3
236.54968	1.2
245.04286	4.1
246.83867	1.1
253.21739	2.5
259.42892	1.1
266.01041	1.1
283.26443	100.0
284.26740	8.7
309.19427	1.3
421.20105	5.6
422.20584	11.6
480.31006	29.9
481.25430	2.5
481.31476	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	481.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13511	1.7
57.03459	3.2
59.01379	4.8
65.00328	4.6
66.64166	1.7
68.99812	1.8
69.03474	2.0
71.01446	4.6
71.66433	1.6
78.95930	11.0
81.03465	15.8
83.01389	4.6
85.02955	5.7
89.02443	2.4
93.03467	3.3
95.01394	3.5
95.05036	8.7
96.96042	19.5
96.96983	19.6
97.02966	9.7
99.00886	8.1
99.04530	12.7
107.01391	5.5
108.02184	2.1
109.02960	19.0
110.70695	1.8
111.04519	1.9
113.02494	2.1
120.54697	1.6
121.02964	10.3
123.04530	9.8
125.02469	51.1
126.02789	2.2
135.04543	6.0
136.76819	1.8
137.02481	34.4
139.04004	6.5
141.01923	3.5
147.00920	2.7
147.04480	2.1
148.01662	4.3
149.02457	22.9
151.00383	7.0
151.04012	10.4
153.01949	7.1
163.00427	11.2
163.04005	5.0
164.01167	3.9
165.01949	18.8
166.02707	2.9
167.03517	75.9
168.03905	2.3
175.00397	5.8
176.01158	2.5
177.01929	12.0
179.03508	14.9
179.05124	2.2
183.02939	5.2
189.01855	2.5
191.01944	3.0
191.03531	5.3
193.01436	61.9
195.03047	14.7
197.04562	16.3
205.01465	16.6
206.02176	4.7
207.02974	16.7
208.00204	2.0
209.00964	2.7
209.04605	3.2
211.02429	9.4
219.02945	2.4
221.00891	9.0
223.02484	26.9
225.04063	26.4
235.02455	6.4
237.04008	4.2
251.01999	38.1
252.02435	2.7
253.03494	4.1
255.05128	7.1
273.39069	1.8
281.03085	12.6
287.07776	4.0
299.05536	2.7
343.04477	9.6
345.08276	2.3
353.05127	1.9
361.05688	100.0
362.05920	8.9
371.06143	6.1
373.05536	4.1
391.06705	23.1
463.08768	2.9
481.09796	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	479.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
59.01388	57.1
59.73104	0.9
61.98827	2.4
69.03487	1.1
71.01389	14.3
71.04971	0.8
71.55144	1.2
72.99299	1.9
73.02951	4.6
75.00877	6.5
83.01390	3.1
85.02961	11.3
87.00914	1.7
89.02448	5.6
95.01384	1.1
99.00887	1.7
101.02454	11.7
105.95985	0.9
108.03808	1.0
113.02463	4.7
121.82944	1.0
122.06097	1.0
125.02500	1.3
149.04486	1.4
151.00430	2.1
157.12337	3.2
165.05528	0.9
191.05461	1.2
254.02231	1.0
310.68869	1.1
317.06702	1.3
317.19769	1.1
347.24637	1.0
419.22922	100.0
420.23285	11.6
479.11874	1.6
479.20853	2.6
479.31961	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01715	0.9
61.98854	0.7
71.01412	0.5
74.73747	0.4
87.04524	4.9
92.57164	0.5
105.59888	0.4
191.64224	0.4
206.39813	0.5
262.95242	0.5
266.40808	0.5
497.25061	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.3
57.03446	4.5
58.00615	1.9
59.01389	100.0
60.01706	2.0
61.58563	1.8
61.98837	25.4
63.66093	1.7
69.41130	11.6
69.41547	5.7
71.01391	60.9
72.99318	4.9
73.02967	11.0
74.72287	1.9
74.72707	1.8
75.00877	19.7
83.01390	3.7
85.02966	15.5
87.00902	2.7
88.98790	2.8
89.02456	58.7
95.01428	3.0
98.19917	4.4
99.00893	6.1
101.02449	33.9
105.17422	1.9
113.02464	18.4
115.07643	1.9
119.03521	7.1
125.02464	2.5
131.03532	14.5
149.04567	41.4
161.04607	6.7
167.68886	2.1
177.03154	1.8
179.05669	7.8
185.11711	2.5
191.05695	5.6
240.09160	3.4
249.06113	2.2
255.11482	6.4
257.17578	4.2
273.12399	5.0
299.73154	2.1
317.11453	10.7
355.70755	2.1
359.12802	2.4
419.18393	6.0
419.23611	23.6
479.16733	9.1
479.32330	28.9
480.32913	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	479.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	7.9
58.66832	2.5
59.01387	58.0
60.01718	4.0
60.99313	14.5
61.98539	4.7
61.98840	67.6
64.49155	2.6
69.36461	15.3
69.36867	3.4
71.01385	32.7
72.21693	2.2
73.02955	11.3
75.00880	8.0
78.95940	4.5
83.01400	3.0
85.02962	40.6
88.98817	100.0
89.02468	12.8
95.01405	3.5
99.00886	2.9
101.02458	24.0
102.02781	2.6
107.03091	2.4
111.00879	3.0
113.02463	14.0
114.02847	3.5
119.05000	3.2
129.01994	3.5
134.03900	2.5
137.85565	3.0
139.00340	2.7
146.35568	2.6
148.90973	4.8
151.07661	9.1
161.04610	11.9
162.04897	3.9
183.13901	5.8
184.14151	3.9
191.02007	16.1
227.12875	6.1
260.45038	2.4
278.29114	2.4
317.02567	6.1
326.09149	2.8
418.24811	3.0
419.07919	2.9
419.25702	14.5
479.13925	4.0
479.20572	14.6
479.32385	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	479.1202
Annotation	Padmatin 5-glucoside
Peak:m/z	Relative Intensity
56.54780	1.2
57.03454	4.0
59.01389	9.7
61.98836	4.1
63.02398	1.8
64.96970	1.3
65.00331	3.9
69.91404	7.3
71.01385	5.0
73.02940	1.9
75.00876	4.8
81.03465	2.7
83.01392	5.1
85.02961	6.5
88.98797	1.8
89.02458	4.2
95.01392	6.8
101.02461	2.9
101.06201	1.4
107.01418	5.5
108.02191	1.8
109.03007	2.4
111.00906	2.0
113.02469	3.8
123.00900	6.6
123.04551	4.0
124.01662	9.2
125.02466	36.8
137.02454	3.2
139.04016	2.6
147.00853	1.6
149.02440	4.0
151.00381	22.6
152.01173	15.8
153.01907	9.2
162.93910	1.5
163.00360	2.7
163.04028	2.6
165.01926	4.1
166.02669	2.3
167.03479	4.1
167.10751	1.7
169.01447	1.3
175.00351	2.9
176.01180	3.6
178.99899	25.3
181.01468	3.4
191.01988	1.6
192.04280	1.4
194.02187	1.7
207.06630	2.7
213.05565	1.8
215.03481	1.9
229.14473	1.8
230.05850	13.4
231.06500	2.3
233.04402	1.7
243.03017	2.1
245.08275	7.6
251.32309	1.5
258.05435	2.6
272.03296	3.5
272.06839	2.5
273.07690	5.3
274.04816	9.1
279.12357	6.3
287.05621	6.0
287.09244	6.9
289.07211	100.0
290.07498	7.6
298.21295	1.4
299.05832	1.8
313.03781	1.9
313.07199	25.2
314.07678	2.1
317.03564	1.5
317.06747	41.7
317.10300	8.1
318.06998	3.1
331.08273	13.0
341.02936	2.8
343.08182	4.5
359.07767	4.6
451.12460	20.5
452.12747	3.5
461.07077	5.2
479.12149	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	479.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19902	1.3
57.03446	1.9
59.01379	5.6
61.98830	2.6
65.00329	2.1
69.84587	1.4
69.85383	7.2
70.23499	1.3
71.01385	4.1
72.99306	1.3
78.95913	2.4
79.47987	1.6
81.03484	7.4
83.01394	4.8
85.02953	6.2
87.00862	1.8
89.02458	2.5
93.03448	2.1
95.01373	3.1
95.05038	4.7
97.02960	6.3
98.20724	1.7
99.04540	3.7
105.03499	1.5
107.01393	2.9
108.02170	2.0
109.02946	4.5
111.04568	2.1
113.02454	2.4
121.02978	3.2
122.03732	1.7
123.00957	2.4
123.04559	7.5
124.01656	2.5
124.39851	1.3
125.02460	30.1
133.02969	1.5
135.04553	1.7
137.02481	10.3
138.03253	5.2
139.04042	4.3
146.03653	1.7
149.02492	6.6
149.09712	1.5
151.00368	6.2
151.03987	1.9
152.01175	5.1
153.01933	8.1
153.05592	2.2
155.03510	1.7
163.00406	6.8
163.03986	3.8
165.01936	16.7
166.02744	28.7
167.03517	43.3
176.01106	2.1
176.19460	1.4
176.27910	1.3
177.01953	2.9
178.99873	2.5
179.03490	2.5
180.84505	1.3
188.04620	1.7
189.01971	2.0
192.04237	3.5
193.01454	6.3
194.02209	11.5
197.04582	7.4
205.01447	3.6
205.05072	4.1
207.06641	2.9
221.00935	4.6
224.03310	2.7
229.05064	4.3
231.06598	2.3
233.04533	2.6
245.08157	3.2
251.01987	1.7
258.05225	2.2
265.80612	1.6
273.04330	6.7
273.07751	5.6
287.09320	4.8
289.07294	10.0
315.08585	2.2
316.05771	2.2
317.06592	3.4
317.10257	3.3
329.06616	2.2
331.08295	34.3
332.08698	3.4
341.06454	3.2
343.08273	1.8
359.07773	100.0
360.08099	8.4
361.09204	9.2
371.07986	1.7
389.08850	35.2
390.09131	4.3
461.10983	5.6
479.12030	35.4
479.18344	3.2
480.12241	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	479.1199
Annotation	Padmatin 5-glucoside
Peak:m/z	Relative Intensity
57.03455	6.9
58.00595	1.2
59.01119	1.3
59.01390	19.4
61.98840	32.8
63.02390	1.6
65.00327	2.8
71.01394	14.6
72.99310	3.0
73.02952	4.2
75.00898	5.5
80.60589	1.0
81.03487	0.9
83.01378	5.1
85.02954	6.5
87.00874	1.4
89.02452	11.2
95.01402	10.9
96.95978	1.5
97.02982	0.9
99.00877	5.3
101.02455	9.3
107.01404	3.0
108.02200	1.2
109.02969	1.8
111.00913	4.7
113.02475	4.2
114.36749	1.0
115.04147	0.9
119.03474	1.3
123.00930	5.4
124.01680	13.7
125.02465	57.2
131.03500	1.8
137.02437	2.0
139.00410	2.7
140.01167	1.0
145.01468	1.2
149.02460	1.7
149.04553	1.5
150.03206	1.9
151.00395	11.6
152.01170	24.8
153.01906	1.5
161.04556	2.0
163.03935	1.0
165.01924	4.6
165.05569	2.0
167.10791	2.5
177.01895	1.1
178.99861	11.9
188.04710	1.3
192.04239	2.1
199.13484	1.0
207.06712	2.7
214.06433	1.7
216.04330	1.6
227.03488	1.2
229.08659	1.2
230.05865	3.1
231.06593	5.6
233.06755	1.1
245.08202	1.4
249.07794	1.1
255.02588	1.0
256.03854	1.0
257.04565	1.2
258.05283	3.5
271.05920	1.6
273.04062	1.7
273.07672	7.2
274.04797	3.9
284.03339	2.0
285.07458	1.3
289.07208	50.8
290.07492	3.4
299.05743	2.1
301.03687	1.7
313.20428	1.2
317.06702	43.6
317.10303	3.2
318.07074	1.9
347.17093	14.5
479.11902	100.0
479.21332	22.8
480.12344	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	479.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27144	1.4
53.04638	1.6
55.15804	1.6
57.03455	3.3
57.62920	1.4
59.01385	11.4
70.72783	2.2
70.73080	2.3
71.01383	17.6
72.99326	2.3
73.02976	1.7
75.00873	2.6
83.01397	2.4
85.02946	2.4
87.00349	2.3
87.00881	34.6
89.02451	1.7
95.11382	1.5
99.00858	4.2
109.02962	2.5
115.00388	50.0
125.02460	54.2
135.02994	6.6
137.02495	7.6
139.04045	3.8
140.29991	1.6
142.99864	2.1
145.06645	1.8
148.01639	1.8
148.70560	1.6
149.02486	3.9
151.03995	2.8
159.03011	4.8
161.02437	2.2
163.00401	6.4
164.01161	3.0
165.01942	9.0
166.02789	2.0
167.03490	4.5
167.10344	1.4
175.02492	100.0
176.02794	2.8
177.01947	35.6
179.03514	3.3
189.01970	2.0
190.02663	3.0
191.03491	3.8
193.01425	3.2
195.03201	1.6
202.99887	9.5
205.01448	2.7
205.22232	2.0
217.01434	8.8
221.01425	1.6
226.52206	2.3
259.05725	1.6
262.86230	1.7
287.05640	2.9
299.05679	2.8
303.05081	5.2
305.06610	13.3
323.04065	4.3
343.04523	13.1
361.05759	3.7
371.04156	3.0
479.07568	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01115	1.2
59.01384	17.6
61.98838	100.0
62.46153	0.8
67.40977	0.9
70.12698	0.8
71.01385	8.4
71.54459	1.4
72.99294	1.2
73.02951	6.6
75.00875	2.6
83.01402	1.4
85.02972	2.0
101.02455	5.4
103.06367	1.0
113.02498	2.1
125.02476	1.7
143.03511	1.0
167.10811	9.9
191.10794	4.0
205.99084	0.9
209.11812	2.1
217.56776	0.9
273.25266	0.9
306.51904	1.3
315.25479	1.0
325.60269	1.0
335.12424	1.0
477.30450	2.5
478.31174	5.9
479.32056	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	9.4
61.98839	100.0
71.01391	7.1
72.99316	2.5
73.02954	2.6
75.00890	3.4
79.12798	0.9
85.02969	4.4
87.00888	1.0
88.98789	1.1
89.02445	4.7
93.21622	1.0
95.01422	2.1
98.20659	2.2
99.00887	1.6
101.02465	5.8
107.63552	0.8
111.00925	0.8
113.02460	3.1
119.03577	1.4
123.00907	0.9
123.04555	1.0
124.01676	2.4
125.02472	8.9
128.03529	2.5
145.01408	1.8
151.00378	3.0
152.01178	4.4
157.06245	1.0
161.04514	1.2
165.01962	2.0
178.99803	2.2
230.05885	1.0
231.06549	1.3
273.07803	0.9
286.10468	1.2
289.07211	8.4
300.02893	0.9
317.06790	8.0
317.10492	1.3
347.17093	6.0
417.21411	1.6
479.11899	16.3
479.20981	3.9
479.25412	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	477.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
57.03457	1.4
59.01388	100.0
60.01720	1.0
61.98832	3.0
69.43111	6.8
71.01389	28.2
72.99303	1.9
73.02957	6.8
77.06277	0.9
83.01385	4.1
85.02467	1.2
85.02959	11.8
86.87936	0.8
87.00890	1.4
87.41498	0.8
89.02464	17.2
95.01405	1.7
99.00884	3.5
101.01808	1.6
101.02454	26.5
102.02789	1.3
113.02466	13.1
119.03519	7.9
125.02460	2.0
143.03499	2.8
153.04955	0.8
159.03050	1.9
161.04575	21.2
162.46431	0.8
179.05675	6.1
183.04527	2.1
219.04691	0.9
241.09882	1.1
241.31003	0.8
255.19609	2.5
267.07233	0.9
271.10922	1.6
315.09854	1.5
345.22668	1.6
417.24994	34.9
418.25323	3.5
435.25693	0.8
477.19611	1.3
477.26563	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87992	1.2
53.02832	1.3
54.40184	1.1
54.48470	1.2
55.01882	1.5
57.03429	1.5
59.01387	100.0
60.01722	1.5
61.98826	2.7
63.92358	1.4
71.01389	33.8
71.45529	1.1
73.02958	8.1
75.00875	2.2
83.01398	4.0
85.02968	14.9
87.00903	1.7
89.02451	19.4
95.01419	2.9
99.00879	5.1
101.02454	26.0
113.02471	19.2
119.03534	9.0
143.03493	4.1
150.42693	1.2
159.02975	3.7
161.04576	22.2
165.12979	1.2
179.05608	7.5
183.13942	3.3
255.19952	1.5
267.07233	2.2
417.24988	45.1
418.25208	3.8
477.19888	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	477.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01696	0.8
61.98820	1.0
63.43803	0.4
70.85442	0.8
70.85759	0.6
71.01394	4.2
72.99363	0.6
73.02977	1.1
83.01406	0.6
84.26074	0.5
85.02971	2.6
85.03430	0.4
89.02467	0.9
99.00909	0.5
101.02476	3.0
111.39532	0.5
113.02486	2.2
127.26547	0.4
142.64470	0.5
157.07967	0.5
161.04643	1.5
204.10397	0.4
219.90492	0.5
239.03703	0.6
267.03036	0.7
315.05310	0.5
315.25519	1.1
375.20535	0.9
401.08984	0.9
445.37592	0.5
477.20288	1.0
477.31107	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	477.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24215	2.0
51.38194	2.0
57.03458	7.1
59.01384	100.0
61.98836	13.3
67.90874	2.1
69.17479	18.1
71.01390	52.2
72.99324	5.0
73.02962	12.5
75.00875	5.6
80.91697	5.4
81.03458	2.8
83.01405	8.3
85.02967	35.0
86.31086	2.3
87.00881	7.1
87.04536	4.7
89.02451	21.1
93.03447	2.2
95.01407	4.5
96.96017	6.5
97.02958	4.0
98.50927	2.4
99.00893	7.0
99.04593	2.3
101.02456	35.7
104.03537	3.4
108.02166	3.7
113.02467	18.5
115.00384	2.3
119.03524	9.2
119.05064	5.1
123.04544	3.4
125.02461	6.4
129.01930	2.4
133.02953	3.1
134.03755	2.6
135.00882	4.9
135.04564	3.2
137.02509	3.6
143.03516	2.8
147.04494	2.4
148.01799	2.6
149.02460	13.8
149.04500	2.5
150.03145	3.5
151.00381	3.5
152.01225	3.3
160.01711	2.9
161.04634	18.4
163.03951	5.0
165.01973	4.6
165.05550	2.7
167.03548	2.5
167.10837	3.2
175.03975	3.1
177.05367	2.2
191.02005	2.7
199.03952	2.3
208.91566	2.7
209.04576	3.8
215.03554	3.4
218.24544	2.2
227.12045	7.3
237.15062	2.7
242.02257	5.2
243.03067	15.9
255.15974	6.0
257.04651	4.8
260.41473	2.0
270.01703	3.9
271.02518	19.1
271.10941	4.0
285.03979	13.9
299.01971	8.0
300.02704	8.6
300.06088	3.4
301.51895	2.3
314.04437	13.3
314.07385	2.4
315.05066	17.0
315.08853	15.7
316.09006	2.6
345.22797	4.7
357.09802	14.7
387.10852	5.6
417.21219	61.2
418.21707	4.1
433.15268	4.7
477.10208	44.8
477.18787	3.2
477.23862	7.1
477.30399	5.1
478.10532	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	477.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.6
59.01388	100.0
59.38740	2.6
60.01730	2.9
61.98839	11.6
68.72697	2.2
69.17127	6.5
69.17536	18.5
71.01398	43.9
72.99307	2.9
73.02951	11.4
75.00876	6.0
81.03471	2.7
83.01388	6.8
85.02969	33.4
87.00874	7.1
89.02469	20.0
95.01387	5.8
95.05009	3.3
96.95990	6.6
99.00882	4.2
101.02456	31.3
104.03548	3.8
113.02460	23.7
119.03493	6.9
119.05063	6.7
121.02951	3.5
123.04546	2.5
125.02453	4.0
130.21788	2.5
134.03752	3.5
139.04076	2.5
148.01639	4.3
149.02484	11.8
150.03369	2.7
152.01184	3.2
161.04590	20.2
163.04033	3.9
165.05585	3.0
167.03476	4.8
167.10811	2.6
175.03947	3.1
179.05629	3.2
179.07056	2.7
191.01918	3.3
199.64583	2.3
209.04620	4.5
227.12029	6.3
243.02991	9.9
252.60510	2.8
255.16029	6.8
257.04572	3.5
271.02478	13.3
271.10876	4.5
285.03992	7.7
299.01917	5.9
300.02713	7.5
314.04245	9.4
315.05011	11.6
315.08847	14.5
315.18152	3.3
357.09830	9.2
387.10944	7.5
417.21255	70.7
418.21588	6.7
477.09830	27.7
477.23648	9.0
477.30688	5.9
478.10666	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	477.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
57.03449	1.6
58.00587	0.6
59.01386	14.2
64.45779	0.4
68.99815	1.2
69.03460	1.0
71.01390	13.7
72.99310	4.4
73.02938	1.2
75.00882	9.9
76.21785	0.5
77.04184	0.5
81.07600	0.5
83.01398	0.9
85.02962	16.2
87.00887	5.6
87.56759	0.6
89.02450	4.0
93.03474	1.0
93.57723	0.5
95.01398	3.9
99.00895	9.2
101.02433	0.8
103.00381	1.4
111.00918	0.7
111.08177	1.2
113.02457	15.7
115.00378	1.7
117.01930	1.8
129.01978	1.3
129.94121	0.5
130.99829	0.5
131.03528	0.6
135.61430	0.5
157.01407	1.7
162.97591	0.5
165.12865	11.6
166.13266	0.8
175.02473	1.9
183.13918	75.1
184.14259	4.7
194.64516	0.5
205.07237	0.8
209.11778	1.2
227.12903	5.6
249.06160	13.1
250.06607	0.8
263.35275	0.5
267.07220	12.2
267.09933	0.8
301.16589	5.4
415.19733	5.4
433.20673	1.1
459.18851	2.7
477.19815	100.0
478.20157	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	477.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18803	0.8
52.85758	0.7
55.01860	1.1
57.03451	2.2
59.01387	14.9
67.01888	0.8
69.44167	4.4
71.01386	16.6
72.99326	4.2
73.02958	1.1
75.00884	11.8
85.02957	17.4
87.00887	5.1
89.02438	5.5
95.01395	3.5
99.00890	7.5
99.11513	0.9
101.02454	1.4
103.00372	2.7
111.08138	0.8
113.02457	18.3
113.86573	0.8
115.00388	2.2
117.01962	1.9
129.01958	1.2
142.20328	0.8
157.01437	1.7
165.12856	6.6
175.02498	3.0
183.13911	81.0
184.14253	3.3
205.07195	2.5
209.11847	2.4
227.12845	5.4
243.68742	0.8
249.06178	3.9
256.97903	0.8
259.82675	0.9
267.07150	6.2
301.16510	4.2
353.68097	0.8
395.32507	0.8
404.72427	0.8
415.19534	8.1
416.20502	0.9
433.20282	1.1
459.18503	4.0
477.19812	100.0
478.20102	10.8
495.02884	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.8
59.01390	26.8
61.98846	2.3
63.02361	1.0
64.39075	1.0
65.00331	1.6
69.03467	1.2
71.01392	17.5
71.54680	1.0
72.99323	3.1
73.02956	5.8
75.00887	2.4
83.01398	2.2
85.02950	6.7
87.00896	4.3
89.02462	17.3
96.96018	2.6
97.02992	1.9
99.00909	7.5
101.02457	9.2
107.01404	2.5
113.02477	7.4
119.03530	1.6
121.10226	1.2
127.18627	1.0
131.03537	2.6
145.07729	1.2
149.02448	1.3
149.04562	5.3
151.00394	5.2
165.09209	6.8
172.08842	2.7
183.10167	1.2
186.10510	1.7
191.05634	2.1
197.11867	1.3
198.06752	7.0
200.11969	2.4
214.09894	2.7
232.03760	2.3
241.04837	1.3
241.07335	37.2
242.08109	42.5
243.08876	27.9
243.11395	1.6
244.09340	1.1
249.06284	1.8
256.11002	1.2
257.10452	4.3
269.10565	1.3
271.02551	4.3
271.06458	1.1
292.58997	0.9
299.02020	4.4
300.02725	10.6
311.11441	6.1
315.05136	26.0
316.05350	2.1
324.02612	1.4
339.05133	4.0
345.15582	3.7
357.06204	3.6
359.13904	5.0
363.16745	2.5
377.14691	100.0
378.15137	8.5
477.15356	49.7
478.16879	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	477.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02832	2.4
57.03438	8.4
59.01389	21.6
60.20184	2.0
61.98819	3.0
62.14444	2.2
69.53060	15.2
71.01382	6.5
75.00877	8.5
77.34120	2.3
83.05032	2.3
85.02954	9.4
87.00883	7.0
88.98806	3.5
89.02435	6.9
93.03448	2.3
97.02990	4.4
99.00898	4.3
109.02963	4.8
109.06604	4.5
111.04591	3.4
113.02446	9.1
122.03747	6.3
123.04506	5.3
124.05290	10.0
125.06123	3.9
137.06056	7.6
139.07668	77.4
140.08023	3.1
163.07680	2.2
165.05582	3.8
165.12910	3.0
168.07968	19.4
169.08661	9.4
176.20602	2.2
187.11288	13.1
205.12344	25.2
213.05228	2.5
225.07674	2.4
227.12988	11.2
235.13359	5.2
249.06209	7.9
249.11234	5.2
267.06744	2.3
279.12405	100.0
280.12747	8.2
349.94046	2.6
432.51627	2.1
477.13904	3.9
477.20462	29.3
478.20300	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	477.125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02402	0.5
55.78422	0.5
59.01384	11.0
61.98820	0.6
69.25528	2.6
69.25955	2.6
71.01391	6.0
73.02953	0.8
78.18744	0.6
85.02979	4.1
89.02462	5.7
95.01403	1.1
96.96032	1.5
101.02456	3.4
107.01450	0.5
108.02146	1.0
109.02965	43.7
110.03307	0.7
111.00903	1.3
112.15810	0.6
113.02464	2.4
119.03536	1.4
123.00903	0.9
123.04546	1.0
124.01665	1.0
125.02428	0.8
137.02400	0.9
139.04060	1.0
149.02466	1.0
151.00494	1.0
152.01172	4.4
153.01952	100.0
154.02274	2.2
164.07234	1.3
165.01997	0.8
167.03441	1.2
191.02061	0.8
195.03004	22.4
196.03476	0.8
255.05106	7.7
303.47769	0.7
315.07245	96.2
316.07584	5.5
332.40161	0.6
357.07919	0.8
473.13782	0.6
477.05716	1.3
477.12491	22.2
478.12982	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	477.1043
Annotation	Nepetin 4'-glucoside
Peak:m/z	Relative Intensity
57.03443	0.6
59.01383	10.9
61.98818	2.0
69.58967	3.8
69.59340	1.0
71.01376	2.7
72.78004	0.5
73.02937	0.8
73.81477	0.5
75.89139	0.5
80.91682	0.8
85.02949	2.7
89.02444	2.5
89.02949	0.6
91.01910	1.3
99.00876	0.8
101.02428	2.4
108.02177	1.9
109.02951	0.8
109.82820	0.7
113.02436	1.7
121.03001	0.7
125.02463	0.6
135.00897	1.8
148.01669	0.8
148.67015	0.7
149.02451	6.5
151.00360	2.4
152.01205	2.8
153.01891	0.7
163.04051	0.6
171.04459	1.1
187.04033	1.0
199.03967	3.8
200.04472	0.6
201.01950	1.4
203.03426	0.9
204.04211	0.6
207.10361	1.0
208.10626	0.7
211.19318	0.7
212.09540	1.0
215.03522	4.4
226.02737	0.8
227.03415	3.7
227.11865	3.2
229.01384	1.0
242.02235	8.8
243.02997	41.4
244.03380	2.8
255.02858	1.3
257.04559	10.6
258.04987	0.9
270.01721	11.3
271.02496	42.2
271.10886	2.4
272.02951	2.8
285.04080	22.2
285.12692	1.0
286.04797	7.6
287.05359	0.9
299.01978	9.5
300.02719	9.2
301.03305	1.0
314.04361	44.8
315.04947	13.7
315.08759	6.5
357.05890	1.6
381.16315	0.7
417.20792	1.1
475.90582	0.7
477.10312	100.0
478.10629	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0468
Annotation	Fucofuroeckol B
Peak:m/z	Relative Intensity
56.03073	0.4
57.03455	0.8
58.25612	0.4
59.01387	64.2
60.01738	0.6
61.98832	2.6
63.02399	0.7
65.00331	4.3
65.43819	0.4
69.33756	0.5
69.72978	0.4
71.01392	3.1
72.99332	0.5
73.02967	0.7
73.90335	0.4
75.00877	1.0
83.01383	2.7
85.02967	2.4
87.00861	0.6
89.02454	0.9
94.89223	0.4
98.19857	1.1
99.00877	0.7
101.02454	2.0
103.00317	0.5
107.01401	5.4
113.02471	1.7
119.05047	1.1
121.02972	0.8
123.04506	0.7
125.02471	2.6
130.44740	0.5
145.02965	1.3
149.02460	1.1
149.06235	0.7
151.00385	19.7
161.02484	0.5
161.04625	1.1
163.04076	0.5
165.05521	0.6
167.03532	1.0
167.59682	0.5
173.02466	4.7
177.01988	0.7
192.00705	0.7
193.01408	2.4
209.06056	1.0
213.02007	0.8
214.02689	0.8
215.03581	2.4
217.01445	2.5
221.52408	0.6
225.05615	1.6
227.03499	1.3
229.04970	0.8
235.04088	0.6
239.03522	1.0
242.02307	0.6
251.03487	0.7
252.04457	0.5
253.05087	1.6
255.02997	1.7
255.16072	2.0
257.04538	1.9
263.03513	0.7
269.04578	0.9
273.07562	0.6
279.03049	2.0
280.03979	0.9
281.04526	2.9
283.02548	1.0
295.02481	0.9
297.04053	3.6
300.02820	2.5
307.02530	1.3
308.03329	1.0
313.78061	0.5
315.05096	3.3
315.18130	1.3
323.02048	2.0
324.02859	1.2
325.03546	100.0
326.03891	8.5
347.05719	0.6
351.01465	3.3
415.04892	0.8
417.24973	1.7
433.05566	1.0
459.03699	2.2
477.04651	56.3
477.19629	1.5
477.31277	2.2
478.04999	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	476.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.6
68.14728	0.2
70.21163	0.2
78.95911	5.3
93.85421	0.1
96.91104	0.2
103.97195	0.2
105.92895	0.2
108.79874	0.2
113.07412	0.2
122.00117	0.2
140.01216	2.2
152.99599	0.5
191.74699	0.2
196.03775	1.2
214.04843	2.8
221.15503	0.2
229.08456	0.2
236.99992	0.2
250.44469	0.2
261.22189	0.4
279.23312	100.0
280.23657	8.3
476.27905	7.8
477.28281	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2786
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
59.01369	0.7
61.98829	0.5
62.96389	0.7
70.76302	1.4
78.90816	0.4
78.95914	44.8
96.96962	2.0
118.07107	0.5
122.00144	0.6
140.01204	5.0
152.99586	5.9
159.68835	0.4
171.00668	4.6
178.65440	0.6
196.03812	9.1
198.85423	0.5
199.84389	0.4
214.04890	2.8
236.88560	0.5
279.23312	100.0
280.23639	8.5
402.24014	0.6
476.27866	39.3
477.28094	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	476.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59144	0.4
70.56763	1.1
78.95914	100.0
96.96970	8.2
126.40274	0.4
152.99605	16.8
154.24933	0.3
171.00661	17.7
402.24030	1.2
476.27853	60.0
477.28204	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
57.03447	2.5
59.01388	29.0
60.01711	1.0
61.98837	16.4
69.43567	2.2
69.43992	2.8
71.01386	10.4
72.00900	3.0
73.02956	1.8
74.02480	41.9
83.01375	0.9
83.05015	1.2
84.04536	1.7
85.02967	4.5
85.04102	1.2
86.02472	0.9
88.04067	0.8
89.02459	11.4
95.01409	1.4
97.06569	1.2
97.16473	0.8
98.19907	1.5
98.99628	0.7
101.02463	5.4
104.03555	19.7
111.08150	1.5
112.93615	0.7
113.02473	4.7
119.03516	3.2
124.32584	0.7
125.10963	0.7
128.03540	2.6
133.02919	0.8
140.60429	0.7
143.03401	0.8
154.00912	0.9
157.06239	1.2
160.01669	0.9
163.04068	1.2
165.12880	9.6
179.05629	2.1
181.15984	2.9
183.13916	1.0
190.15976	2.3
197.11856	3.5
207.10269	1.5
207.22980	0.9
208.17087	63.6
209.11810	0.9
209.17474	5.0
220.17058	1.1
222.14999	18.8
222.17084	1.5
223.15340	1.1
227.12991	1.2
233.08295	2.5
234.15004	4.9
236.16513	1.1
240.16034	4.7
252.16080	22.8
253.16449	1.7
266.13947	7.6
271.10907	1.0
278.14020	9.1
279.14319	0.9
284.03458	1.8
284.15082	8.8
285.04092	4.5
286.10562	1.3
296.15103	2.1
299.05551	2.2
300.02765	2.9
300.06354	3.2
308.15057	1.0
314.16129	100.0
315.05148	4.6
315.08795	10.7
315.12418	1.1
315.13071	1.0
315.16373	7.7
320.09219	4.5
326.16199	1.5
338.16174	1.3
356.17084	4.4
389.10526	3.2
416.23697	1.2
476.21396	18.0
477.10446	1.1
477.20508	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	476.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	3.7
57.03465	4.8
59.01388	78.8
60.01720	3.6
61.98832	7.2
67.01929	1.4
68.99834	2.1
69.03481	2.6
69.30100	9.4
69.30512	2.3
69.30698	1.2
71.01389	39.8
72.01773	2.1
72.99323	8.2
73.02953	8.1
75.00880	32.2
77.16746	1.2
78.03527	3.0
80.85585	1.2
82.86027	1.2
83.01421	3.2
85.02962	45.0
87.00893	12.7
87.01730	1.4
89.02455	15.2
95.01406	10.7
97.02988	1.7
99.00890	24.3
100.01247	1.3
101.02470	15.6
102.02828	1.8
103.00388	6.5
105.01954	2.8
111.00934	3.0
113.02467	54.9
114.02946	1.5
115.00440	3.8
116.02650	1.3
117.02011	3.9
119.03586	3.1
119.05078	4.1
121.02970	100.0
122.02499	97.0
123.02911	3.3
125.02493	3.6
129.02039	3.9
131.03540	2.7
135.04558	1.6
137.02530	3.0
143.03575	2.0
149.04671	1.8
151.00458	3.8
152.00798	2.8
157.01501	2.8
161.04630	6.2
165.05586	2.6
170.02245	2.2
173.12187	1.3
175.02512	7.0
179.05692	3.0
207.10379	2.3
208.10680	3.3
209.08313	4.3
231.05116	7.0
271.02597	1.5
271.06259	3.9
272.06628	5.1
297.04221	3.0
298.00827	2.4
313.03247	2.1
315.05267	3.1
336.07843	1.7
345.18997	6.6
353.08755	20.2
353.12317	1.5
354.08334	10.1
415.23813	4.1
416.23859	9.5
417.25409	1.8
475.29306	2.6
476.12350	57.6
476.20078	10.8
477.13004	8.7
477.23898	13.9
477.30191	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	475.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	6.0
61.98839	100.0
64.84091	1.3
70.67853	3.8
96.13700	1.3
101.27026	1.3
102.05613	1.7
178.69200	1.3
475.28818	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	476.084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.0
57.03458	10.1
57.58816	0.8
59.01389	10.5
61.98852	4.5
69.85926	0.8
71.01399	6.8
71.54177	1.0
72.99311	3.1
75.00883	3.6
83.01406	2.7
84.02163	2.9
85.02962	100.0
86.03308	2.0
87.00886	2.1
89.02451	1.8
89.49767	0.8
96.96012	3.5
101.02468	1.4
103.00394	1.1
109.02941	1.1
111.00899	1.3
113.02406	1.4
115.00342	1.0
119.03481	0.9
122.02499	12.5
129.01961	9.2
135.04549	8.5
136.04021	1.9
147.03018	23.3
161.02463	1.2
179.03488	4.8
191.01996	51.4
192.02339	1.5
193.08704	0.8
197.42853	0.9
209.02991	2.0
252.05141	7.2
296.04102	1.8
314.05203	17.8
347.08020	0.9
458.17059	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34891	0.4
57.03466	1.5
59.01389	100.0
60.01739	2.0
61.01828	0.5
63.15873	0.4
70.81949	0.4
70.82272	0.8
71.01393	5.2
72.99300	0.5
73.02978	1.1
75.00887	0.4
75.74375	0.4
83.01417	1.3
85.02962	9.5
87.00895	0.5
89.02469	3.8
93.03491	1.0
95.01407	0.8
99.00911	0.6
101.02457	3.8
109.02950	0.6
111.00864	0.6
113.02472	3.5
117.03541	0.5
119.03539	1.5
119.05067	1.2
121.02997	0.5
123.00918	1.0
129.01959	1.2
135.04579	0.7
137.02473	5.5
138.03279	2.5
143.03564	0.4
147.03056	1.5
151.00456	0.7
152.01236	0.4
156.00769	0.4
160.01628	0.4
161.04568	1.3
163.04037	0.4
165.09258	1.6
167.03612	0.5
170.02243	12.5
171.02551	0.6
175.04041	0.4
179.05675	1.1
191.02019	3.8
195.31097	0.4
201.35757	0.4
207.10298	21.8
208.10680	1.1
216.77226	0.4
219.10306	1.1
227.07288	1.3
238.08415	0.5
251.05746	0.6
253.05127	0.4
268.03888	1.1
269.04633	1.8
271.06042	1.8
312.13828	0.8
313.05649	2.0
313.14569	1.7
355.07971	0.9
389.02005	0.5
415.23599	2.1
431.09689	0.6
475.08838	1.0
475.19772	27.8
476.20096	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	475.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63957	0.4
59.01394	0.8
59.18299	0.3
60.83488	0.4
61.75359	0.3
63.00483	0.3
63.02402	1.6
65.00329	3.4
68.99837	0.8
69.63204	2.5
74.81268	0.4
75.17130	0.4
98.19962	0.5
105.07124	0.5
106.04282	0.9
107.05070	0.9
108.27374	0.3
109.06612	1.8
114.23232	0.4
129.07098	0.7
131.01378	0.6
131.08682	1.8
132.05833	19.5
133.06624	9.0
134.06923	0.6
135.08237	1.8
149.06084	0.6
151.07727	0.7
158.03799	0.5
159.04477	0.7
161.02417	0.7
161.09734	3.1
163.07684	0.4
164.03510	0.6
164.04816	9.9
165.01851	0.6
172.79153	0.4
173.06107	0.8
175.00374	1.7
175.03996	0.5
175.07703	0.8
176.01160	2.0
177.01987	0.4
185.06117	0.9
187.04068	0.7
187.11302	56.7
188.08374	0.7
188.11632	3.1
189.01955	1.8
189.05556	0.6
190.06364	1.0
199.04077	0.5
199.14970	0.8
201.01961	2.1
201.05635	2.0
201.09244	0.6
203.03514	1.0
204.08179	0.5
213.09259	1.2
215.14455	0.6
217.08633	0.5
218.05782	1.1
219.06665	2.4
219.13910	3.8
226.39769	0.4
229.05042	1.8
232.10939	0.5
241.12209	0.5
243.06696	0.7
243.13918	4.0
244.07333	0.9
245.08099	0.7
255.10379	0.5
255.17548	2.9
259.13324	1.9
261.14929	1.0
287.12930	29.8
288.13263	2.2
301.14487	2.4
313.14529	1.8
427.96384	0.4
475.24933	100.0
476.25262	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	475.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38090	0.5
63.02391	0.9
65.00332	3.3
65.07864	0.5
68.99835	0.8
69.22018	3.8
69.22441	2.4
81.82422	0.5
107.05000	0.7
109.06567	1.7
109.29616	0.7
129.07112	0.7
131.08745	1.2
132.05824	18.3
133.05727	0.6
133.06627	8.9
135.08165	0.9
142.69716	0.6
151.07686	0.6
152.51274	0.6
161.09755	3.3
164.04796	9.2
173.06062	0.9
176.01118	1.7
182.09337	0.7
185.06070	0.8
187.04192	0.6
187.11304	50.2
188.08492	0.8
188.11623	2.1
189.01909	1.6
200.08459	0.7
201.01945	1.4
201.05563	2.2
205.08549	0.6
205.94333	0.7
217.12212	0.7
219.14011	3.6
229.05087	1.5
243.13885	4.1
244.07367	1.6
255.10475	0.7
259.13419	1.2
261.15085	0.9
287.12912	27.1
288.13177	2.1
301.14484	2.3
302.92130	0.6
313.14511	1.6
433.23724	0.6
475.24915	100.0
476.19144	0.5
476.25229	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	475.2494
Annotation	Hydroxysophoranone
Peak:m/z	Relative Intensity
59.01373	2.1
59.09454	0.5
61.19614	0.5
63.02403	5.2
65.00336	11.9
68.99844	0.6
71.01434	0.9
77.38192	0.5
83.01390	4.7
100.71048	0.6
107.01398	11.4
107.05104	0.8
109.06610	2.4
125.02442	1.0
131.08630	1.4
133.06606	10.4
137.02495	1.0
151.00381	31.2
151.06700	0.5
151.07684	4.7
152.00800	0.7
165.01973	1.2
169.01442	0.9
175.07646	4.7
176.01187	4.4
177.01941	1.8
187.11293	1.1
191.07195	1.3
199.11301	3.0
200.12065	5.9
219.06633	25.1
220.06876	1.2
229.15901	1.6
232.11093	9.8
233.08226	1.1
237.07707	0.9
238.59332	0.6
241.52335	0.6
245.08148	0.8
252.43303	0.6
255.17561	39.1
256.17911	2.2
256.53030	0.6
257.51318	0.7
271.88263	0.6
281.15756	0.7
297.22241	0.9
323.23831	20.1
324.24112	2.5
336.16861	0.6
371.43707	0.7
457.24374	0.7
464.31497	0.6
475.24924	100.0
476.25266	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	475.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35339	1.4
57.03441	1.8
58.13457	1.4
59.01390	100.0
60.01719	3.4
61.01798	2.7
61.98824	2.6
69.03465	1.5
69.95792	1.3
70.24459	3.3
70.24858	2.7
71.01394	20.9
72.01702	1.5
72.99320	4.7
73.02950	4.4
75.00880	12.9
83.01411	1.4
85.02970	19.1
87.00896	7.0
89.02459	7.7
89.11991	1.3
95.01391	3.4
95.05050	1.4
96.01727	1.3
99.00894	7.3
101.02458	4.8
103.00438	2.2
113.02458	23.4
114.02766	2.9
115.02899	1.9
117.01956	2.2
119.03546	1.5
129.01982	2.5
137.02423	2.7
141.85513	1.3
163.11261	3.2
170.02254	2.9
175.02554	1.9
179.10783	2.0
181.12346	3.9
198.99742	1.4
201.93692	1.4
207.10258	5.7
225.11446	8.1
249.06229	9.2
250.06479	2.1
251.06538	5.3
267.07227	32.1
268.07584	9.5
269.07779	15.8
271.06174	2.3
299.14981	2.4
361.51285	1.6
370.18961	1.3
383.11209	1.6
389.21887	2.3
415.23373	2.0
431.18201	10.3
475.18030	65.0
475.28223	2.5
476.18527	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	475.1993
Annotation	Toonaciliatin G
Peak:m/z	Relative Intensity
51.34100	0.4
53.48738	0.4
59.01381	6.8
69.38965	3.2
71.01388	1.7
72.99297	0.5
73.48801	0.5
77.53392	0.5
83.01403	2.2
85.02965	0.6
85.27410	0.5
89.02449	0.7
92.98696	0.5
93.03474	0.6
95.01414	0.9
97.02965	0.5
97.17956	0.5
101.02457	1.1
109.02967	2.0
111.00875	1.5
113.02460	0.7
119.05027	2.9
123.00929	3.0
124.01646	0.6
126.53721	0.5
127.05581	0.5
137.02464	17.0
137.03532	0.8
137.51653	0.5
138.03258	11.2
139.04002	1.6
151.03983	1.0
153.01991	1.0
156.00706	1.0
163.11205	0.7
165.09207	6.0
170.02226	40.6
171.02576	1.4
181.12379	0.7
191.07137	1.1
205.08690	0.6
205.41409	0.6
206.09474	2.0
207.10281	72.3
208.10635	4.5
219.10173	3.0
234.99152	0.5
238.08606	1.1
243.06604	0.8
244.07475	1.3
245.07919	0.5
283.06171	1.1
311.05615	1.9
312.13757	3.6
313.14438	6.7
314.15054	0.7
341.06454	0.7
376.75739	0.6
410.00403	0.5
415.23303	1.0
416.43823	0.5
431.10007	0.8
448.31549	0.5
475.19754	100.0
476.20123	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	475.1976
Annotation	Platyphylloside
Peak:m/z	Relative Intensity
59.01384	5.2
61.98847	0.6
68.99793	0.5
69.44588	0.8
69.44994	1.9
71.01388	0.8
73.76363	0.3
74.05162	0.3
74.35891	0.4
83.01397	2.3
83.17490	0.3
83.42242	0.4
85.02981	0.4
93.03461	0.4
95.01384	1.1
97.02930	0.8
98.19868	0.6
101.02424	0.6
109.02971	1.8
111.00887	1.3
113.02471	0.5
119.05038	2.8
123.00891	2.9
124.01669	0.8
125.42841	0.3
137.02458	16.7
138.03252	8.9
139.03993	1.2
151.04047	1.2
153.01877	0.6
156.00624	1.2
165.09224	6.7
170.02222	44.4
171.02588	1.5
191.07127	1.1
205.08705	1.2
206.09460	1.4
207.10271	72.6
208.10603	4.1
216.34657	0.3
219.10255	2.8
238.08472	2.2
243.06595	0.8
244.07428	1.3
292.69705	0.4
295.13440	0.5
312.13718	3.3
313.14462	6.4
412.39722	0.4
475.19754	100.0
476.20074	11.9
482.50867	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1978
Annotation	Platyphylloside
Peak:m/z	Relative Intensity
57.03457	0.8
59.01388	9.5
61.98835	1.4
64.35381	0.4
68.99807	0.4
69.81384	0.4
71.01379	2.3
71.54340	0.6
73.02930	0.6
75.00897	0.5
83.01384	2.6
85.02969	4.1
87.00893	0.6
89.02467	1.4
93.03464	1.6
95.01400	1.2
96.96022	0.4
97.02985	0.7
99.00907	0.6
99.04549	0.4
100.29874	0.4
101.02456	1.2
109.02984	2.6
111.00892	1.1
113.02475	1.2
116.92894	0.8
117.03485	1.0
119.03473	0.7
119.05041	3.9
123.00904	2.9
124.01702	0.6
135.04512	0.6
137.02457	19.5
137.76440	0.4
138.03253	7.4
139.03947	1.5
143.03629	0.5
147.03023	0.5
147.04388	0.4
151.04022	1.6
153.01994	0.7
156.00655	1.1
161.04602	0.8
161.06053	0.4
165.09242	6.7
166.09576	0.5
170.02226	47.3
171.02568	1.8
180.07921	0.4
189.05571	0.6
191.01973	1.2
191.07162	1.4
193.05081	0.5
205.08731	0.7
206.09531	1.3
207.10278	73.8
208.10645	3.9
209.03046	0.8
219.10295	3.6
229.04921	0.4
238.08495	1.6
243.06693	1.0
244.07396	1.2
295.13452	0.7
297.07599	2.0
298.07925	1.2
299.08255	2.1
309.07315	0.4
312.13736	3.8
313.14490	6.2
314.15063	0.5
327.07761	0.7
353.06674	1.8
354.07059	1.7
355.07407	6.4
385.08401	2.0
405.12027	0.5
415.23083	0.5
475.11972	8.7
475.19742	100.0
476.12900	0.8
476.20090	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	475.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14411	2.0
52.54805	2.1
55.01873	5.0
57.03466	3.9
59.01114	4.6
59.01389	61.2
69.71652	13.1
70.78135	1.9
71.01397	42.5
72.99354	3.1
73.02956	20.0
74.03285	3.1
81.03498	3.4
82.09772	2.5
83.01407	17.6
85.02962	26.7
86.02566	2.2
87.00881	3.7
89.02470	7.0
95.56558	2.2
99.00925	7.5
101.02462	49.1
103.04019	2.6
113.02464	25.2
117.03510	2.6
123.04539	5.6
125.02473	6.3
129.01912	3.1
159.02969	5.1
161.04567	28.9
167.03439	12.8
244.91286	2.7
269.07434	5.0
269.10321	78.3
270.10660	3.8
281.04575	2.9
283.06165	14.9
311.05627	27.9
312.05920	2.8
323.05542	6.3
341.06631	5.8
415.16119	100.0
416.16373	11.4
431.09729	3.7
475.08719	23.6
475.14343	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	475.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77295	1.9
56.95755	1.7
57.03456	1.9
59.01387	100.0
61.98843	5.3
67.96729	1.7
71.01390	15.1
73.02963	6.5
75.00883	2.6
83.01402	2.7
83.61533	1.6
85.02966	8.4
87.00909	2.3
89.02482	5.0
95.63560	1.5
98.19956	4.7
99.00881	2.1
101.02456	15.8
102.87222	1.7
104.51126	1.6
104.55867	2.0
113.02451	6.5
113.06075	1.8
114.61084	1.6
119.05055	3.6
123.04635	1.9
137.02443	6.2
138.03259	2.5
161.04546	2.5
165.09251	2.2
165.12866	17.9
170.02208	14.0
183.13914	30.9
195.13957	11.1
207.10255	23.3
227.03572	2.9
227.12924	40.8
228.13202	3.1
229.04132	2.2
231.13809	1.7
239.12965	2.5
251.12849	5.5
255.02885	3.0
256.03677	2.1
257.03665	2.7
284.03110	1.8
285.03992	4.2
285.28668	1.9
286.04010	4.8
287.04727	5.0
313.23984	2.4
415.23483	3.7
463.94290	1.7
475.11636	3.9
475.20248	30.9
475.28986	15.1
476.20300	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11377	0.8
59.01114	1.2
59.01387	12.2
61.98824	3.1
67.72987	0.9
68.99824	1.5
71.01396	3.5
71.47638	1.7
73.02960	1.3
83.01381	1.4
85.02962	2.7
89.02501	0.9
97.55563	1.0
101.02464	2.7
107.01328	1.0
110.00092	3.0
113.02454	1.1
119.05062	1.8
123.00901	2.1
123.63499	0.8
133.06612	4.6
136.98773	1.1
137.02437	2.9
137.99603	6.5
151.00369	1.9
163.00423	1.7
163.03998	2.1
170.02220	6.1
177.05606	1.6
178.06380	4.8
178.99847	1.5
189.05502	2.1
189.07784	1.1
191.03490	2.7
193.01385	1.0
205.05124	5.2
206.05841	7.9
207.10300	10.0
217.05046	2.9
220.06108	1.8
232.87439	1.0
233.04594	5.6
234.05339	35.2
235.05728	1.4
245.04538	3.4
245.27498	0.9
262.04837	22.8
271.22815	8.3
277.07266	1.6
309.07486	1.7
340.09229	1.2
355.11832	2.1
368.09171	2.3
371.11490	2.6
383.11206	3.0
396.08627	1.4
399.10925	10.2
400.11029	1.4
411.10980	7.1
412.11368	1.1
415.27313	5.8
427.10300	14.3
428.10406	2.3
433.28107	10.8
442.12589	4.9
443.13480	1.7
457.15085	100.0
458.15292	11.8
475.15314	3.4
475.19858	8.3
475.29050	23.7
476.15961	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	46.6
60.99303	15.9
69.45370	22.1
69.45781	8.5
71.01385	15.7
72.99335	19.2
74.74393	4.2
75.00864	5.6
75.51746	4.4
85.02963	23.6
87.00891	6.5
88.98824	100.0
89.02473	25.2
99.00868	6.5
101.02438	5.4
113.02482	6.6
119.03528	4.4
121.02963	12.6
123.85638	4.3
125.02495	6.1
135.04546	5.0
136.75163	3.9
138.37677	4.1
151.04034	8.6
161.04579	6.5
165.05576	5.4
179.69893	5.3
181.05077	4.7
183.66602	4.1
191.01991	6.0
209.03024	4.7
225.07693	12.1
249.06317	6.1
283.05978	5.5
294.20135	4.7
297.07535	13.2
298.08148	10.3
299.08353	21.0
327.07819	10.3
353.06421	9.5
353.71048	4.7
354.06946	12.5
355.07428	45.7
378.10034	4.6
385.08325	8.6
405.52133	4.3
475.11475	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1249
Annotation	Naringenin 7-O-beta-D-glucoside 6''-acetate
Peak:m/z	Relative Intensity
55.39987	0.5
56.91734	0.5
57.04552	0.5
57.92787	0.5
59.01114	0.8
59.01388	9.4
63.02406	2.8
65.00331	7.4
71.01382	2.0
73.02976	0.6
75.00876	1.5
83.01389	5.4
85.02950	2.3
87.00880	0.9
93.03476	7.9
95.01420	1.0
98.19775	1.1
99.00882	1.0
103.00378	5.4
107.00732	1.0
107.01412	13.0
108.84409	0.6
109.03016	0.7
113.02456	1.6
113.11980	0.6
117.03540	0.7
119.05045	35.4
120.05389	1.2
124.89761	0.6
125.02438	1.2
135.00887	1.1
135.04543	4.7
137.02406	0.8
145.02898	0.7
151.00389	40.5
152.00706	1.2
165.01964	1.5
165.09274	0.7
170.02226	1.4
175.00311	0.8
177.01953	5.5
181.12347	4.4
187.04114	0.7
193.01443	0.7
196.00179	0.5
207.10258	2.5
209.08229	10.7
227.07063	0.7
249.06154	1.8
271.06146	100.0
272.06516	6.6
297.00531	1.1
299.14969	1.0
312.02859	1.0
313.07266	1.1
327.21841	1.2
371.13510	1.2
394.35345	0.6
465.72821	0.6
475.09296	2.4
475.18686	12.5
476.18961	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28770	0.8
51.28999	0.8
55.01900	2.1
57.03465	1.7
59.01389	37.8
65.00333	1.0
68.99840	0.9
69.60490	4.2
69.60878	1.6
71.01389	23.6
72.99342	2.2
73.02962	9.2
75.00903	2.6
77.03998	2.3
79.01922	1.6
83.01385	5.7
85.02959	18.0
87.00915	2.7
88.98815	4.3
89.02455	5.4
93.03471	3.8
95.01421	2.6
96.96000	3.6
97.02962	0.9
99.00896	5.1
100.36752	0.8
101.02457	18.3
103.04055	1.6
109.01801	0.7
109.05471	0.8
113.02470	12.5
117.02023	1.3
117.03482	12.0
119.03519	1.7
119.05038	1.8
121.02995	3.7
125.02496	3.1
129.02002	1.5
134.03786	0.8
135.04562	2.6
143.03522	1.0
145.03055	0.9
147.03041	1.1
149.02501	2.6
150.03174	1.3
151.04051	3.5
159.03050	2.1
159.04541	3.3
161.02469	5.2
161.04552	10.0
163.04045	2.0
163.06244	1.2
165.01978	2.9
165.05617	2.8
166.06340	1.3
173.06140	0.9
175.04016	0.8
179.03413	0.9
183.04564	2.1
183.08176	2.1
191.01956	1.3
196.05309	1.1
197.06042	1.0
197.98410	0.7
205.05034	1.7
210.06854	1.1
211.07706	0.8
224.04736	1.5
225.07733	6.8
231.04948	1.0
233.04553	1.1
239.07149	4.0
249.06262	4.4
253.05153	1.5
254.03059	0.7
254.05882	1.1
267.07114	2.8
269.04684	6.6
269.07428	1.6
269.10336	24.9
269.13129	1.6
270.10858	1.0
281.04593	10.6
282.05328	4.6
283.06158	80.5
284.06473	6.4
293.04541	1.9
295.06116	8.0
296.06631	1.1
309.04095	1.6
309.07529	0.8
311.05649	100.0
312.05981	7.3
314.04395	3.2
315.04669	0.9
323.05655	12.9
324.06186	1.1
325.07233	1.0
341.06699	26.5
342.07050	3.3
353.06738	2.6
355.07965	1.7
383.67764	0.7
415.16119	34.4
416.16409	2.4
431.09885	26.9
432.10339	2.6
475.08792	74.5
475.14554	7.1
476.09183	6.3
476.15024	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03796	0.5
55.01877	2.4
57.03456	11.5
59.01383	32.0
65.75182	0.5
69.83395	2.9
71.01389	10.0
72.99313	4.8
73.02943	1.8
75.00888	2.2
83.01397	2.2
84.02168	2.7
84.81690	0.5
85.02959	100.0
86.03297	1.7
87.00898	3.4
89.02447	6.2
101.02449	3.8
103.00404	1.5
111.00905	1.4
113.02491	3.4
116.92879	1.0
119.03525	1.5
121.02953	10.5
125.02501	0.7
129.01950	10.1
134.03720	1.4
135.04535	13.0
137.06104	0.6
147.03015	15.8
153.19910	0.5
158.03815	0.5
161.02489	0.8
161.04625	0.9
161.06075	0.7
161.57220	0.5
173.00897	1.5
179.03502	3.8
179.05675	0.7
181.05095	1.4
181.12445	1.1
189.05542	1.2
191.02003	46.1
192.02322	1.9
251.05617	6.5
271.06033	0.6
295.04678	2.4
311.05386	0.7
313.05630	21.9
314.06186	1.8
415.23721	0.9
457.51053	0.7
475.18320	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	475.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.8
57.03456	12.2
57.03729	0.5
59.01387	32.7
60.17922	0.6
61.98841	5.4
63.17146	0.6
68.74241	0.6
68.99805	0.5
69.39981	1.6
69.40388	3.6
71.01387	9.0
72.99306	1.0
73.02962	2.1
75.00880	1.5
83.01373	3.5
84.02173	2.4
85.02959	100.0
86.03290	2.8
87.00870	2.4
89.02467	4.3
93.03484	4.6
95.01427	0.7
98.19913	1.4
100.27384	0.7
101.02453	4.0
103.00391	1.2
105.23687	0.6
106.53664	0.7
111.00902	1.7
113.02474	3.1
117.03484	1.0
119.03537	1.1
119.05029	9.6
120.94678	0.6
121.02972	1.7
125.02426	1.0
128.03610	1.3
129.01961	15.5
131.03409	0.6
133.01431	0.8
135.04567	1.6
137.02457	7.3
143.03566	0.9
145.02985	1.9
147.03018	23.8
152.45045	0.6
157.06261	1.4
161.04553	1.3
163.04025	10.2
165.01970	0.7
173.00941	2.1
177.05518	0.8
179.03467	1.3
191.01997	41.1
192.02292	1.2
193.01398	0.7
196.07301	0.8
196.84235	0.6
205.05122	2.3
209.03040	19.6
209.04933	1.4
210.03418	0.7
214.97983	0.6
267.05084	2.9
283.06128	0.9
283.12149	0.7
295.06039	0.9
311.04449	2.0
313.05942	4.4
320.09341	4.2
329.05231	6.9
337.05884	0.7
345.15216	0.7
353.06805	0.7
354.07056	0.8
355.06958	6.0
397.09488	0.7
415.10004	0.9
415.23401	1.9
433.24792	0.8
456.67819	0.7
466.63782	0.6
475.11737	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	475.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
57.03456	12.1
58.00599	0.6
59.01388	37.7
61.98841	1.2
69.31335	5.1
71.01396	9.9
72.99325	3.9
73.02953	1.7
75.00883	2.8
80.07141	0.6
83.01405	2.0
83.66830	0.6
84.02175	2.2
85.02963	100.0
86.03288	2.0
87.00887	3.7
89.02451	5.9
95.01440	0.8
98.19814	1.1
99.00916	1.1
100.58884	0.6
101.02414	3.6
103.00388	1.7
103.81019	0.6
107.05053	0.7
111.00880	1.4
113.02467	3.8
115.00427	0.8
119.03515	1.8
119.05047	1.5
121.02968	9.5
125.02435	1.0
129.01976	10.5
133.02962	0.9
134.03726	1.0
135.04541	12.8
137.06136	0.7
143.03539	0.6
147.03024	15.6
148.06200	0.6
151.00342	0.7
161.02432	0.9
161.04582	1.8
161.06038	0.9
171.61493	0.7
173.00929	1.5
179.03583	4.7
181.05075	1.9
181.12352	1.1
189.05647	1.0
191.02000	51.1
192.02342	1.0
193.01459	1.3
225.11456	0.7
249.06235	1.0
251.05641	7.8
295.04514	2.1
313.05621	24.9
314.06195	1.5
343.08203	1.1
415.23941	1.2
475.12027	1.0
475.17706	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	475.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.4
59.01112	1.5
59.01387	18.7
65.00329	1.2
70.52349	1.3
70.52687	1.8
71.01392	11.0
72.99322	1.1
73.02940	4.3
73.74627	0.8
75.00880	2.6
75.70377	0.9
77.03964	2.7
79.01900	1.8
83.01389	3.1
85.02959	20.4
87.00895	1.6
88.02013	1.0
88.98813	1.9
89.02454	2.3
93.03442	2.2
95.01394	1.4
96.95956	1.2
98.19969	1.2
99.00909	1.2
101.02448	6.5
111.00876	1.2
111.23779	1.0
113.02460	5.8
113.07763	1.0
116.04446	0.9
117.03495	10.9
118.03791	1.1
119.05034	2.6
120.05405	1.0
121.02962	3.0
125.02445	1.9
129.01945	3.3
133.02963	1.3
135.04504	1.9
137.02422	2.2
138.46773	0.8
140.61688	0.9
141.60274	0.9
145.02975	1.1
147.02995	3.9
149.02415	1.6
151.04045	1.7
152.06561	0.9
159.04523	2.6
161.02481	6.2
161.04576	3.7
163.04047	6.3
164.04510	1.1
165.01910	3.4
166.06343	1.2
175.00348	1.1
182.03876	1.0
183.04526	2.5
183.08163	0.9
191.02094	4.4
197.06091	1.2
202.53101	0.9
209.03006	1.8
211.07748	1.8
224.04779	1.3
225.07692	3.9
233.04442	1.5
237.05084	1.2
239.07008	3.5
249.06119	2.5
253.05147	1.1
267.07065	2.9
269.04559	4.8
269.07794	1.8
269.10376	10.2
281.04581	10.0
282.05231	3.4
283.06134	73.4
284.06485	3.4
293.04492	3.0
295.06140	9.0
309.03955	1.4
311.05634	100.0
312.05930	7.9
314.04309	4.3
323.05618	15.1
324.05859	1.4
329.05051	1.1
341.06683	25.9
342.06992	3.4
353.06580	3.2
355.07407	2.1
372.63876	1.1
415.16119	14.3
416.16251	1.1
431.09872	22.5
432.10107	3.5
475.08771	72.5
475.14227	3.8
476.09229	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	475.0886
Annotation	Scutellarein 4'-methyl ether 7-glucuronide
Peak:m/z	Relative Intensity
57.03442	2.1
59.01384	12.5
65.12507	0.7
68.99834	0.7
70.65647	1.2
71.01406	3.6
72.99290	0.8
75.00875	1.4
77.03959	2.6
79.01898	1.9
83.01383	1.2
85.02962	12.5
87.00870	2.4
89.02454	1.1
93.03465	3.8
96.96004	2.4
99.00887	1.0
101.02467	1.9
105.03461	1.5
107.01416	0.9
113.02441	1.6
117.03483	15.2
119.05021	3.5
121.02970	3.3
123.00872	0.8
123.04498	1.1
124.01654	1.2
125.02452	2.6
129.01955	1.3
131.01387	3.1
133.02945	1.2
134.03726	0.7
135.04515	4.2
137.02470	2.1
137.06071	1.2
145.02948	1.4
146.03705	1.7
147.00867	0.8
147.02998	2.5
147.04495	0.8
149.02446	2.7
149.99579	0.8
151.04021	2.5
159.04500	3.1
161.02432	4.5
161.05936	0.8
163.00380	1.1
163.04025	5.7
164.04736	2.1
165.01942	1.3
167.03473	2.5
168.00639	2.2
173.02460	1.5
175.00375	5.8
179.07150	5.4
181.05022	2.6
185.02364	1.2
189.01912	2.2
191.01938	2.6
191.03532	2.1
196.05179	0.8
197.05957	1.3
203.03589	0.9
209.03024	1.4
213.05563	0.9
217.01483	1.6
218.99373	1.6
224.04776	1.0
225.05586	1.5
225.07681	3.4
237.05501	1.6
239.07225	1.3
241.05162	1.1
249.06204	1.6
253.05116	1.2
264.04236	0.9
265.05002	2.2
267.06992	2.1
268.03769	2.3
269.04486	2.5
275.17963	0.8
281.04718	4.9
282.05170	2.4
283.06149	43.1
284.06467	3.5
293.04672	4.7
295.06094	1.2
308.03180	1.2
309.04004	6.2
311.05649	46.0
312.05939	4.3
323.05765	3.6
327.19077	0.8
337.03568	33.8
338.03894	2.8
341.06604	2.7
353.06821	1.2
355.03903	3.5
355.08160	1.2
367.04553	0.8
417.67599	0.8
431.09824	2.1
452.89920	0.7
457.07837	26.7
458.08328	2.4
475.08804	100.0
476.09192	10.8
500.47150	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47307	0.4
69.56441	2.5
78.95915	100.0
89.79279	0.4
96.96973	7.4
119.05029	0.6
140.01234	0.5
152.99606	16.5
166.58493	0.4
171.00668	17.5
277.21750	0.7
293.75418	0.4
321.84708	0.4
400.22833	1.9
474.26318	55.8
475.26581	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	474.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.6
69.38438	1.3
69.38869	0.9
71.01400	0.2
78.95491	0.5
78.95915	7.3
140.01225	2.1
152.99561	0.8
168.66669	0.3
196.03865	1.9
214.04874	3.1
233.22636	0.3
259.20746	0.4
277.21753	100.0
278.19003	0.5
278.22073	8.3
323.12744	0.3
404.98495	0.3
457.26248	0.4
474.21317	0.6
474.26401	8.2
475.26782	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	2.0
69.19757	4.0
71.01443	0.4
75.93532	0.3
78.95915	45.0
90.25392	0.4
96.96959	1.7
98.20657	0.8
99.04570	0.4
114.52585	0.4
122.00135	1.0
140.01207	6.4
152.99600	4.5
171.00682	3.6
196.03816	13.9
214.04906	2.5
242.42696	0.4
275.20279	0.5
277.21744	100.0
278.22067	8.5
317.88837	0.4
344.14600	0.4
406.91336	0.4
474.26315	37.3
475.20297	0.6
475.26691	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	473.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03483	0.6
59.01388	100.0
60.01725	1.3
61.98835	1.4
63.80327	0.5
69.26667	5.1
71.01395	3.5
73.02956	1.3
75.00891	1.0
75.62905	0.6
75.66445	0.5
85.02956	2.9
89.02465	0.6
96.96033	0.8
101.02469	1.8
107.44977	0.6
111.00921	1.2
113.02472	1.5
119.05051	1.0
121.02977	1.1
125.02486	0.9
145.02924	0.6
149.04628	0.8
161.04691	0.7
161.06093	0.6
163.04021	0.8
179.10847	1.2
209.36818	0.5
213.40242	0.5
249.06175	1.0
262.35513	0.5
267.07581	0.7
268.03973	0.6
353.07028	0.7
383.08136	0.7
413.21930	0.9
473.17389	1.0
473.27719	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67596	0.9
59.01384	2.0
60.13114	0.9
60.44783	0.9
71.54308	1.1
73.54783	0.9
99.86899	0.8
121.06604	11.4
133.06633	3.4
149.09737	100.0
150.10117	4.6
163.11333	3.6
166.58440	0.9
176.31693	0.9
205.16055	1.9
205.59367	1.0
297.18637	8.5
298.19199	1.0
311.20212	27.7
311.23749	1.5
312.20471	2.1
323.20200	20.8
323.23712	1.6
324.20615	1.2
337.33948	1.1
392.39813	0.9
457.25458	1.1
473.30743	96.6
474.31100	15.1
480.69949	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15107	2.5
56.60301	2.8
59.01381	11.8
61.98857	3.1
71.03030	2.9
71.54164	3.0
79.33863	2.4
139.04150	2.8
140.43201	2.8
142.78090	2.7
205.15968	3.5
279.23325	100.0
280.23663	10.9
305.24933	3.2
317.30994	3.0
473.27881	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	473.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70918	0.3
57.03456	1.0
58.00586	0.4
59.01385	100.0
60.01720	1.0
63.07942	0.3
68.09659	0.3
68.99839	0.4
69.99949	0.8
70.00341	0.9
71.01389	5.9
72.99309	1.4
73.02950	1.6
75.00883	4.3
83.01385	0.7
85.02959	6.8
87.00887	2.8
89.02453	2.0
95.01416	1.3
99.00865	2.9
101.02457	1.5
103.00397	0.8
112.01775	0.4
113.02462	9.3
115.00401	0.5
117.01970	0.9
129.01988	0.8
131.03694	0.3
133.10321	0.6
135.11839	1.3
149.04607	0.6
157.01427	0.3
161.04657	0.5
161.09758	0.8
171.04088	0.3
175.02515	0.7
179.10780	4.0
180.18303	0.3
183.33998	0.3
205.07217	0.4
231.05130	0.5
249.06210	6.5
267.07233	22.4
268.07626	1.0
429.17624	7.4
430.18106	0.4
454.49951	0.3
465.88303	0.3
473.10068	0.7
473.16766	12.4
473.23444	0.7
474.17093	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
65.00320	1.2
69.63605	1.0
71.54321	1.7
108.93803	1.0
119.05018	4.8
133.06612	2.6
163.69180	1.1
175.07594	1.7
218.04932	1.0
219.06660	5.2
221.43216	1.0
267.01019	1.8
276.99451	1.3
327.04968	2.6
339.12280	4.3
355.08167	1.9
398.10132	1.9
413.04764	21.3
413.12473	8.5
414.05685	1.6
414.12454	1.3
415.13007	1.8
429.33902	1.6
437.09235	2.2
473.06357	1.9
493.81815	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2338
Annotation	Millewanin D
Peak:m/z	Relative Intensity
59.01384	14.5
68.62142	2.3
70.42738	2.1
101.03845	2.8
119.05003	3.7
119.88575	2.1
132.05844	29.0
133.06551	7.4
164.04820	17.7
175.03952	5.1
187.03912	3.2
187.11292	77.5
187.51884	2.9
188.11592	3.3
217.12335	3.7
241.12428	7.9
285.11359	43.3
286.11670	4.7
299.12924	3.1
305.24844	10.8
310.42059	2.5
391.19006	3.3
424.36075	2.5
473.23267	100.0
474.23389	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	473.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34669	0.5
59.01389	100.0
60.01731	0.8
61.98843	0.8
64.67639	0.5
68.49712	0.5
69.53275	2.9
71.01393	1.4
72.99319	0.5
73.02979	0.7
78.08903	0.5
85.02980	0.9
89.02450	0.5
98.19880	0.8
101.02493	0.5
103.59752	0.4
118.35563	0.5
119.05019	0.6
140.50392	0.5
199.62657	0.5
203.08453	0.5
223.09837	0.6
251.16489	0.5
338.41788	0.5
473.18329	0.7
496.85898	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76093	0.6
59.01389	5.9
71.54730	0.9
82.23414	0.6
89.81448	0.5
91.01907	30.9
92.00674	0.5
92.02238	0.8
132.05841	12.0
133.06651	4.3
135.00902	45.5
136.01265	0.9
143.99405	0.6
145.06645	1.7
148.01695	2.0
153.01952	22.9
164.04810	9.0
180.00682	1.1
255.17578	48.0
256.17902	3.9
267.06628	1.6
279.06552	0.9
327.05194	0.6
376.03928	0.6
391.19189	100.0
392.19543	10.8
413.17392	6.9
414.17279	0.8
473.18176	5.4
473.36072	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06049	0.6
59.01383	1.5
61.54852	0.6
62.65387	0.6
69.61912	3.7
84.38445	0.7
93.03420	0.8
104.18570	0.6
109.06555	1.5
119.05040	100.0
120.05384	3.8
145.02950	2.2
150.31476	0.7
171.08247	0.8
212.12090	0.8
227.14442	4.5
271.13416	19.9
272.13843	0.9
285.14899	0.9
289.14471	7.7
323.94052	0.7
336.72406	0.8
349.18057	0.9
368.11948	0.7
391.19189	90.8
392.19449	10.1
413.17282	2.7
473.18286	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
57.03461	6.1
58.00579	0.9
59.01387	24.9
67.01889	2.4
68.99827	2.0
69.03450	1.5
69.57953	1.9
69.58365	4.0
71.01389	24.6
72.99321	6.1
73.02954	2.7
73.13493	0.8
75.00886	17.1
78.41094	0.8
83.01412	1.6
84.02211	0.9
85.02957	31.0
87.00896	7.5
89.02455	9.2
91.04031	1.4
91.05519	1.0
93.03471	2.4
95.01406	4.6
99.00887	13.5
99.04506	2.4
101.02459	2.9
103.00373	2.4
109.02997	1.0
111.00911	1.5
111.04491	0.9
111.98381	0.9
113.02462	32.8
115.00386	2.5
117.01974	1.9
117.03477	4.5
119.05038	3.6
120.41785	0.8
121.02981	9.1
129.01936	2.5
132.02240	0.9
132.31731	0.9
133.06589	1.2
135.04530	3.2
147.04509	4.2
149.02455	53.0
150.03249	4.4
159.04564	1.0
161.02455	2.1
163.04063	2.1
164.04810	39.6
165.05461	2.7
175.00433	1.4
175.02498	2.4
175.03986	1.8
176.01103	2.3
177.05591	1.4
179.03484	1.3
179.07158	6.2
190.02734	3.6
191.01985	1.9
191.03542	3.8
203.03561	1.0
205.05141	6.9
207.05116	2.0
209.04597	2.8
223.06111	30.3
224.06554	1.2
231.05095	2.2
249.06180	32.9
250.06598	0.9
257.27179	0.9
267.07239	100.0
268.07562	4.8
281.04547	1.1
282.05307	1.5
283.05865	1.6
295.06186	4.1
296.06940	2.8
297.07449	12.7
297.10580	1.1
298.07977	1.2
307.06131	1.6
309.07632	1.8
311.05759	1.9
323.05405	1.2
324.06155	0.9
325.07098	6.6
326.07422	1.0
328.06146	2.0
335.05972	0.9
337.07281	1.4
353.06671	29.4
354.07108	4.1
355.08673	1.2
365.06741	4.0
383.07709	16.6
384.08261	1.3
411.13376	1.3
413.09286	2.1
455.12262	4.1
473.12244	83.7
474.12424	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	473.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27447	1.0
59.01390	6.4
65.00335	1.2
69.42035	5.2
69.42442	2.2
74.67476	1.0
81.73315	1.0
98.20668	1.1
105.34151	1.1
109.06619	3.2
121.02985	1.1
131.08620	2.0
132.05827	20.3
149.02452	1.1
159.08170	8.4
164.04816	13.4
175.07649	2.1
181.26155	1.1
187.11305	62.2
188.11623	3.5
194.02187	1.3
201.05556	1.1
203.07170	22.3
217.08705	2.4
219.94197	1.0
221.08205	16.1
253.88011	1.4
287.87183	1.0
326.02292	1.0
334.66748	1.1
382.02808	1.1
391.19196	100.0
392.19540	11.5
413.17368	6.9
414.17899	1.6
418.15384	1.1
473.18271	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	473.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	12.6
69.88647	5.8
70.72986	1.1
91.01330	1.4
91.01911	27.7
115.21249	1.2
135.00899	37.1
136.01260	1.6
153.01962	21.1
162.82173	1.3
165.55368	1.2
200.12090	7.9
232.11101	16.0
250.33899	1.1
255.17583	80.1
256.17963	7.7
259.19135	2.4
281.25403	1.1
359.54355	1.1
391.19220	100.0
392.19586	12.5
399.14639	1.2
413.17374	7.1
428.69180	1.6
473.17676	5.7
473.34683	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37433	1.0
53.22188	1.1
57.03447	2.1
59.01391	42.1
60.96532	1.1
61.98828	3.7
65.00330	2.3
69.19173	10.6
70.58824	1.2
71.01393	10.8
71.93650	1.0
72.99319	1.6
73.02959	4.4
75.00881	6.4
77.03982	2.6
79.01898	2.2
83.01390	2.5
85.02963	12.8
87.00887	3.1
89.02457	5.2
91.05540	1.8
93.03475	7.3
95.01405	4.5
96.96025	3.9
99.00900	2.3
101.02450	6.8
103.00399	1.2
105.03493	3.3
107.01389	2.0
108.02164	1.4
109.02966	1.4
111.00928	1.3
112.01646	1.0
113.02462	12.5
117.03478	34.8
119.03561	2.1
119.05049	5.0
121.02972	3.7
123.04564	1.5
125.02493	1.4
126.18645	1.0
133.02956	1.5
133.06694	1.4
135.00996	1.2
135.04533	6.8
135.11792	1.9
145.02953	2.0
147.04559	6.0
148.01755	1.2
149.02455	4.0
159.04498	5.0
161.02469	18.5
161.04568	2.3
162.03134	1.5
163.00389	5.1
163.04047	7.3
164.01099	1.1
165.01894	1.8
167.03488	1.3
171.04623	1.6
173.02431	2.4
173.06187	1.4
175.02594	1.8
175.04016	3.4
177.01935	2.0
177.05692	2.0
179.03534	1.6
179.05775	1.3
179.10768	4.7
181.06725	1.3
183.04416	1.6
185.02451	2.1
189.02020	1.9
191.03531	4.4
197.06119	2.2
203.03523	3.6
205.01376	1.2
205.05116	1.5
210.06914	1.2
211.07494	1.1
215.03557	2.5
222.06696	1.1
223.07690	1.7
225.05573	2.2
227.03307	1.1
229.01479	1.8
233.04562	1.3
237.05606	3.5
239.07137	2.4
241.05005	1.3
249.06088	8.8
251.07437	1.2
253.05090	2.4
257.07037	2.0
265.05264	1.4
266.05780	1.5
267.07065	21.2
268.03787	4.8
268.07141	1.7
269.04593	10.1
278.05917	1.5
279.06583	6.5
281.04593	18.5
281.43939	1.2
282.05359	12.9
283.06158	44.3
284.06506	3.4
285.47391	1.2
293.04532	12.8
294.05002	1.6
295.06088	11.9
296.06586	2.6
297.04410	1.4
297.07703	28.4
298.04813	1.2
298.07919	2.1
306.05435	2.6
307.02805	1.5
307.06113	4.9
308.03235	3.2
309.04141	9.6
309.07474	1.6
311.05664	88.6
312.06061	7.5
314.04486	1.5
321.07758	1.7
323.05621	26.3
324.05981	3.5
325.07233	16.9
326.07791	1.6
327.05011	1.5
328.05847	2.6
329.13858	2.2
335.05713	6.1
337.07388	2.7
341.06561	4.5
349.07278	2.5
351.05148	1.3
353.06696	65.7
354.07086	6.5
358.13736	1.1
365.06555	2.5
377.06723	4.3
383.07819	10.5
395.07608	2.2
413.08823	79.1
413.21747	2.9
414.09137	11.6
422.23041	1.2
429.17679	5.4
431.09772	2.7
473.10895	100.0
473.16739	11.5
474.11182	13.2
474.17279	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	472.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44706	1.0
58.00608	2.5
59.01385	46.5
59.38207	1.0
71.01386	33.7
71.53836	1.2
72.99317	2.7
73.02959	1.4
78.95909	2.5
83.01423	1.2
85.02947	7.2
87.00869	2.3
89.02452	50.0
94.05138	1.1
95.01393	2.4
95.33352	1.3
96.96966	2.0
101.02451	21.1
110.37330	1.1
113.02457	15.6
119.03505	19.8
128.03552	1.2
129.01932	4.0
130.08751	45.7
131.03503	3.0
131.04564	2.0
131.09096	1.4
143.03522	3.8
149.04504	1.5
161.04552	6.8
177.01929	1.6
178.02344	1.4
179.05617	26.8
341.10892	100.0
342.11185	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	473.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	7.6
65.00327	0.6
69.19127	3.9
71.01393	1.0
77.03989	3.1
79.01907	1.5
85.02980	0.8
93.03468	3.5
93.43987	0.4
95.01400	0.6
95.05077	0.5
97.02966	0.4
101.02457	0.5
105.03487	1.3
105.77700	0.4
110.88304	0.3
113.02441	0.4
114.54404	0.4
117.03480	16.4
118.03826	0.6
119.05058	1.4
121.02976	3.0
125.02460	0.6
133.02962	1.1
135.00958	0.7
135.04541	3.9
137.02489	0.6
145.02971	0.8
147.00916	0.5
147.04527	0.9
148.01624	0.5
149.02469	3.3
158.03812	0.4
159.04549	3.0
161.02464	6.5
163.00418	1.6
163.04034	4.7
165.01903	0.9
169.06593	0.6
173.02461	1.1
173.06100	0.6
175.04057	0.6
177.01979	1.1
179.03513	1.2
180.05905	0.6
181.06668	0.4
183.04472	0.5
185.02408	0.8
189.01970	0.8
191.03566	1.7
193.01425	0.9
196.05305	0.5
197.06143	1.4
203.03532	1.7
209.06029	0.7
211.07623	1.1
213.05556	0.6
215.07111	0.8
224.04799	0.8
225.05705	0.6
227.11932	0.4
231.05264	0.4
236.04665	0.4
237.05592	1.1
239.07190	1.9
243.06622	0.7
253.05165	1.0
255.06541	0.5
267.06818	0.7
268.03864	4.2
269.04562	5.9
281.04608	8.3
282.05319	3.1
283.06152	51.6
284.06448	3.2
293.04645	3.5
295.06235	3.8
297.07697	1.6
309.04034	1.0
311.05664	100.0
312.05972	7.9
314.04385	1.0
323.05637	10.0
324.06064	0.5
325.07120	1.2
341.06683	14.3
342.07040	1.6
353.06732	4.3
377.06723	0.9
383.07635	0.7
395.07132	0.4
413.08792	21.2
414.09201	1.8
473.10928	41.1
474.11252	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	471.3694
Annotation	oscr#38
Peak:m/z	Relative Intensity
57.03439	1.0
59.01382	4.8
71.01360	1.2
89.02427	1.2
91.04004	1.2
91.85355	0.9
98.20662	2.0
147.03059	2.2
203.86751	1.0
222.33159	0.9
222.79007	1.1
287.74091	1.0
294.75540	1.0
335.33209	96.0
336.33560	9.4
341.30566	1.9
353.34207	2.3
379.32205	45.9
380.32565	5.6
397.33224	100.0
398.33582	12.6
471.36920	61.3
472.37177	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	472.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49594	0.7
57.96642	0.7
58.02718	1.2
58.02985	13.5
59.01385	4.8
61.98812	1.5
63.03207	0.8
68.28416	0.8
69.23933	7.8
70.02070	0.8
71.01385	5.6
71.34563	0.8
73.02946	5.3
78.95898	0.9
80.17628	0.7
84.04557	1.1
85.02952	6.1
89.02429	4.1
96.03596	0.7
96.96000	1.0
97.02917	1.1
99.00906	1.2
101.02439	1.7
102.05620	67.1
103.05983	1.5
109.02962	3.1
113.02469	1.5
117.03440	1.6
121.02966	22.6
123.04544	1.2
124.00747	3.9
125.02455	1.1
133.06635	1.0
135.04535	13.6
144.06680	32.7
145.06923	1.0
147.04483	1.2
149.04584	1.1
149.06064	1.1
150.06874	2.9
151.07632	1.5
163.07631	2.3
164.04887	0.9
165.05583	79.0
166.05927	2.7
167.03505	1.2
177.01959	2.3
177.05510	1.2
178.02373	1.7
178.06380	2.1
179.03571	1.1
179.07159	3.1
189.05588	3.3
194.66483	1.0
196.55258	0.8
207.06613	7.9
209.03098	1.2
224.09288	23.6
225.09654	1.6
233.08333	4.9
255.94662	0.9
292.11871	6.7
293.08865	1.6
297.07687	5.2
299.72189	0.7
310.12991	100.0
311.13373	8.1
325.07208	2.8
352.14157	6.3
353.06689	13.7
383.07852	2.9
454.12952	1.1
472.18280	79.3
473.10950	12.2
473.18158	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	471.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56482	0.4
59.01387	100.0
60.01723	1.0
61.98860	0.4
62.17045	0.3
62.84528	0.3
70.81465	0.9
70.81803	0.3
71.01392	1.9
73.02957	3.0
76.37004	0.4
76.85999	0.3
81.03484	1.0
83.01410	1.3
85.02995	0.6
89.02454	0.5
93.03532	0.4
101.02457	3.3
113.02495	1.5
119.05048	1.1
121.03026	0.3
123.04528	3.1
125.02471	2.1
131.03595	0.7
161.04623	1.0
167.03523	8.9
179.03578	0.6
179.08618	0.4
186.51224	0.3
191.13445	0.4
273.07712	15.2
274.08096	1.2
352.93192	0.3
435.13031	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	471.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19077	2.3
59.01368	12.0
70.93988	2.7
71.54149	4.2
77.08521	2.8
78.80592	2.4
80.90443	2.9
87.21690	2.5
122.62815	2.4
186.49513	2.4
271.99341	2.8
277.21747	100.0
278.22079	8.8
339.03806	2.5
471.20300	2.8
471.34933	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	471.348
Annotation	Hispidone
Peak:m/z	Relative Intensity
51.61578	0.4
53.62270	0.4
59.01387	2.1
61.98835	1.3
66.47966	0.5
68.74686	0.5
69.18906	0.4
70.02371	1.8
71.05014	1.6
95.63522	0.5
97.06602	0.7
119.04998	0.6
134.53462	0.5
174.62421	0.4
201.05736	0.4
207.83408	0.4
289.80707	0.5
328.38342	0.5
341.14099	0.9
389.17389	0.5
405.31473	1.0
407.33258	1.3
411.32666	1.6
451.32111	1.0
453.33777	15.1
454.34460	2.3
471.34839	100.0
472.35214	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	471.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01732	1.0
62.32787	0.4
69.56319	0.5
71.01406	1.8
71.43617	0.4
73.02952	1.4
85.02960	1.2
89.02450	0.6
101.02471	2.0
113.02461	1.0
125.02460	0.7
167.61012	0.4
471.26691	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31979	0.4
57.03461	0.6
59.01387	100.0
60.01729	0.6
65.27071	0.4
70.59465	0.5
70.59787	1.0
71.01389	7.3
72.99382	0.6
73.02955	10.9
75.00863	0.5
83.01377	3.2
85.02988	1.8
87.00906	0.8
89.02458	2.5
91.71957	0.5
95.01460	0.4
99.00922	1.8
101.02458	10.3
113.02456	2.8
119.03571	0.9
119.05072	0.8
125.02473	0.6
131.03615	0.7
143.03529	0.9
149.04620	1.3
161.04588	2.4
207.13889	2.1
219.13931	0.5
221.15382	0.5
249.14999	5.3
273.20859	0.7
429.25012	0.6
471.26334	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	471.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31119	0.4
57.03437	0.4
59.01388	100.0
60.01735	0.8
61.98845	1.1
64.64031	0.4
66.63600	0.3
69.54855	1.5
69.55281	1.0
71.01394	2.5
73.02953	2.8
83.01394	0.9
85.02967	1.3
87.00910	0.4
89.02466	0.9
91.49765	0.4
101.02464	3.0
101.06116	0.4
113.02497	1.7
119.03612	0.4
119.05051	0.8
125.02504	0.6
143.03569	0.4
145.02992	0.4
161.04578	0.7
203.02338	0.3
249.15164	0.4
323.53705	0.4
351.13055	0.6
444.75363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.2
58.00605	0.7
59.01388	100.0
60.01738	0.8
69.23560	4.7
69.23981	1.5
71.01392	16.1
72.99332	0.9
73.02949	3.4
75.00886	2.9
83.01411	1.6
85.02963	6.4
87.00919	1.2
88.71845	0.7
89.02445	9.2
93.03472	1.0
95.01425	2.0
99.00925	2.5
101.02454	6.3
104.03545	1.1
109.03007	0.8
113.02480	8.5
117.03536	1.9
119.02785	0.7
119.03503	3.5
119.05044	0.8
121.03082	0.7
128.45819	0.6
133.10268	1.6
138.06943	0.8
143.03557	1.4
149.02570	0.9
152.08479	1.8
153.09242	4.5
159.03035	1.6
161.02550	1.3
161.04590	12.0
161.09766	0.9
165.09229	1.6
175.04001	0.7
177.02052	1.1
177.09308	2.3
179.05685	2.3
187.11304	1.6
189.02089	0.9
203.03835	0.8
205.03464	0.8
205.12469	0.9
225.11493	0.7
231.13969	3.0
249.06200	4.5
249.15033	6.3
267.07162	1.9
277.15991	0.8
283.06186	0.7
295.06290	2.9
307.06305	2.1
310.13074	1.5
311.05743	1.8
323.05722	2.7
335.05637	0.8
339.05295	1.1
351.05313	4.4
363.05252	0.8
369.55087	0.8
372.53568	0.7
408.76810	0.7
411.20395	2.5
471.09564	16.3
471.15527	7.0
472.09576	1.4
472.16098	1.3
476.10025	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.9
59.01394	4.4
69.03454	3.0
69.47973	5.7
69.99617	0.7
71.05024	2.3
73.10886	0.7
80.02660	1.0
81.03460	10.9
83.01392	2.3
83.05030	2.0
84.02178	3.8
85.02964	2.4
87.04530	4.0
93.03468	1.8
95.01424	2.0
97.02972	1.4
98.03760	1.0
99.04523	5.9
111.04530	2.3
119.05009	0.8
137.09721	4.0
149.09714	3.7
151.00386	1.5
153.09187	0.9
159.04608	1.1
159.06609	2.2
165.09184	2.0
167.10823	2.8
175.07629	1.3
181.08681	2.6
186.03284	1.5
189.12856	2.0
193.08769	1.1
195.57640	0.8
201.05560	1.5
207.10339	0.8
251.12898	2.9
269.13968	100.0
270.14301	7.3
277.11792	0.8
295.11972	2.0
323.07977	0.8
339.12390	1.1
411.11343	1.7
453.07776	3.1
453.19348	1.7
471.02557	0.9
471.09808	1.3
471.20331	32.0
472.20563	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	471.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	14.9
61.98835	2.1
65.00340	4.4
68.99817	3.3
69.03455	3.9
69.87344	6.3
71.01359	2.2
71.05043	2.0
72.99291	1.6
78.33860	1.6
81.03468	4.7
81.24805	1.7
83.01401	11.6
83.47430	1.4
84.02171	2.2
85.02962	2.1
87.04523	12.0
93.03468	2.3
95.01400	4.5
95.05032	2.4
99.04529	4.4
107.05051	2.1
107.96268	1.7
109.06585	1.7
110.00125	13.1
111.00906	5.4
111.08173	2.5
117.03471	2.7
119.05046	24.8
121.02944	1.9
121.06644	1.9
122.42288	1.7
123.00906	3.1
124.01725	2.8
125.09691	2.4
127.04037	2.2
127.07669	45.7
129.05603	2.7
133.06612	2.4
136.98828	11.0
137.09715	4.6
137.99626	4.0
143.05042	2.7
145.02988	3.3
147.06677	8.3
149.09731	2.9
151.07597	1.8
152.01204	2.4
153.09264	8.2
159.04573	9.0
159.06682	8.0
160.05237	1.5
163.07620	2.3
167.10808	4.8
169.06657	1.6
171.04572	3.4
172.05263	3.9
175.07651	10.8
175.35028	2.0
177.05626	15.7
179.07318	1.5
181.08755	4.1
185.02539	1.9
185.06039	2.2
186.03230	16.5
187.03929	3.1
188.04832	7.3
189.05594	2.1
193.08784	2.1
199.07593	2.8
201.05595	21.9
202.06122	2.4
203.07140	7.7
205.08707	3.7
207.14063	3.5
211.07658	2.2
212.04845	1.6
213.05615	3.8
214.06342	2.4
219.06544	2.8
225.05577	2.8
227.07066	2.0
231.06630	2.1
237.05605	4.7
239.03568	1.8
243.06654	10.1
244.07469	3.9
251.12907	3.8
253.05144	2.8
255.06783	2.4
256.03796	3.0
257.04562	4.3
269.13950	100.0
270.09229	1.8
270.14346	7.9
271.06146	12.1
272.06815	4.0
275.12927	1.7
276.06329	4.6
278.13077	1.9
281.04568	1.9
293.14081	4.0
295.06421	2.3
295.11868	4.1
296.06821	2.9
306.12717	2.0
310.08612	1.7
323.12952	9.5
324.13538	2.2
325.14444	6.1
326.11615	2.5
337.14325	4.6
339.16092	2.9
341.13977	75.6
342.14282	7.2
361.12866	8.1
365.13983	25.7
366.14413	4.8
383.15100	18.5
453.19211	22.6
454.19833	3.8
471.20313	87.5
471.34842	14.5
472.20767	10.7
473.96747	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	471.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.3
59.01394	8.8
65.00329	6.5
70.48862	1.6
80.91503	2.0
81.03463	5.1
83.01393	5.3
85.02960	2.6
87.04520	8.1
91.21581	1.9
92.36435	1.8
95.01395	2.9
96.99332	2.7
97.02995	2.0
98.19917	5.7
99.04512	2.7
107.05013	1.6
108.02163	2.6
109.02914	2.2
110.00104	14.3
111.00873	6.3
112.05235	1.7
117.03456	1.9
119.05039	22.5
123.00908	4.2
123.04558	2.1
124.01608	2.2
127.07676	22.9
134.03711	2.1
136.98827	14.1
137.09726	4.1
137.99585	2.9
145.02921	2.2
147.06595	10.5
149.09700	2.5
153.09250	3.8
159.04533	6.1
159.06667	4.8
161.02440	2.0
163.07761	2.0
167.10783	3.9
171.04475	2.5
172.05304	4.1
175.07614	6.3
177.05582	7.4
181.08725	2.5
184.05254	2.9
186.03247	15.7
187.04004	3.0
187.07697	2.8
188.04892	8.6
189.05621	2.0
191.07179	2.2
193.06647	3.9
199.07642	5.6
201.01994	2.9
201.05632	15.3
203.07127	6.9
207.13966	2.4
212.04759	3.3
213.05629	3.4
219.06641	2.2
224.07018	1.9
225.05571	3.7
229.05128	4.5
231.06651	2.2
237.05574	6.0
243.04384	2.1
243.06599	10.1
244.07388	5.9
251.07137	2.4
251.12933	2.6
252.08121	2.3
253.05321	2.4
255.06737	3.2
257.04532	5.1
269.13962	62.1
269.16867	3.0
270.14310	2.9
271.06137	11.0
273.07565	3.6
276.06387	5.2
281.04556	2.8
293.13922	3.9
295.06097	3.7
295.12070	3.2
296.07135	4.6
305.11835	2.7
307.09616	2.7
321.14896	3.6
323.12939	12.6
324.13342	3.6
325.14362	5.8
337.14474	5.6
339.16122	5.3
339.71478	2.1
341.13959	100.0
342.14316	8.5
361.12991	7.6
365.13916	37.3
366.14288	4.4
383.15042	19.1
427.21149	2.4
435.18326	4.0
453.19250	28.9
454.19702	2.0
459.84027	1.8
471.20255	88.4
472.20651	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	471.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98831	5.5
66.37321	2.5
69.33763	19.7
71.01385	12.3
73.02947	4.3
73.03396	3.0
81.74211	2.5
83.01361	4.5
85.02964	11.8
88.84408	2.8
89.02452	7.4
94.00731	2.5
101.02450	5.0
113.02468	7.6
137.02460	3.4
147.02979	2.6
215.56615	2.5
232.43625	2.7
242.49730	2.6
249.06227	4.5
267.50241	2.6
290.83243	2.5
471.19897	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	471.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
69.76073	53.4
71.01390	20.1
73.02902	8.6
75.33595	8.1
101.02439	11.5
155.85925	9.8
157.41469	9.0
163.04095	7.5
177.09023	10.4
178.39549	7.5
258.95700	9.2
285.04831	13.4
287.05380	9.0
353.21442	10.2
471.19815	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44371	6.9
69.44791	2.4
83.01361	1.8
110.00071	2.3
118.89249	1.1
119.05047	16.0
121.06561	1.5
124.01669	2.0
127.07644	3.5
133.06552	1.7
136.05217	1.2
136.98848	3.0
137.99596	1.8
139.17519	1.3
153.09203	1.7
159.04567	3.7
163.00423	1.3
163.04047	2.0
163.07632	1.5
175.07619	2.5
177.05537	1.7
179.07147	1.9
186.03255	2.1
187.04036	1.5
188.04747	2.7
189.05531	1.8
199.07736	2.6
201.05569	7.5
201.40625	1.3
203.07202	5.3
205.05132	2.1
211.07693	1.2
213.05582	1.8
216.07895	1.1
219.06726	1.3
234.05345	2.2
237.05663	1.8
240.28528	1.4
243.06689	2.7
244.07288	1.5
255.06677	1.5
269.13773	1.7
271.06122	3.7
273.07709	1.6
295.06317	1.7
316.75119	1.1
321.15045	1.5
323.12985	14.1
324.13348	1.5
337.14572	1.7
341.13956	23.4
342.14243	2.6
343.11719	1.3
361.13092	6.2
365.13901	13.1
366.14169	1.9
368.12634	2.4
383.15018	10.4
453.19156	5.5
471.20270	100.0
472.20584	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	471.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12727	0.5
53.98497	0.4
57.03460	0.7
59.01391	1.7
62.03215	0.5
70.65571	1.4
70.65933	0.7
71.01387	1.4
78.41083	0.5
80.25262	0.5
85.02962	27.4
86.03308	1.4
89.02466	1.2
95.72208	0.5
96.20981	0.5
96.96022	1.8
98.95605	2.1
98.96398	0.5
101.02455	13.8
113.02477	1.1
128.03548	3.1
129.01961	100.0
130.02267	2.6
160.51730	0.5
177.01923	3.0
179.05473	0.5
191.02020	0.7
193.02498	0.6
209.02997	3.6
210.03358	1.0
211.03445	3.0
253.00862	0.5
255.23026	0.6
341.10959	2.4
381.17090	0.6
471.13422	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00605	0.5
56.37633	0.5
59.01381	0.9
62.24714	0.6
66.39626	0.6
70.44815	1.7
71.01385	0.7
85.02956	26.4
89.02475	0.9
91.85445	0.5
92.43153	0.5
101.02453	12.2
102.87349	0.6
118.40409	0.5
128.03560	4.1
129.01955	100.0
130.02280	2.3
165.04106	0.6
167.02327	0.5
179.05554	0.5
209.03004	0.6
211.03488	0.7
298.61862	0.5
341.10977	2.2
356.95331	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86821	1.4
57.03444	7.0
57.03687	1.6
59.01160	1.5
59.01394	17.1
61.98830	4.3
66.82769	1.4
68.99811	1.7
69.03487	2.0
71.01383	4.9
79.84794	1.5
85.02979	2.3
85.06615	11.5
89.02440	2.4
96.73933	1.4
98.20673	4.3
101.02450	2.1
109.02969	2.8
111.04496	1.9
113.02457	2.8
119.05030	24.5
121.02964	3.0
129.05583	3.9
132.06122	1.5
134.28825	1.9
135.04510	2.0
137.02454	2.4
139.03981	3.9
143.05042	1.6
164.01100	2.0
165.01950	3.0
167.03499	2.4
171.04471	1.9
181.12381	1.6
185.02443	3.6
186.03221	13.4
195.04640	2.3
196.05263	4.4
199.03946	3.6
201.05556	7.0
211.13428	2.4
231.06503	1.6
239.07315	2.3
240.04320	3.3
242.05472	1.5
255.03026	3.5
255.06659	16.2
256.06967	1.9
274.04883	2.8
283.06213	16.3
291.19809	1.7
309.20636	3.1
326.07956	6.0
341.10321	100.0
342.10574	9.0
471.19849	4.6
471.26382	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	471.1147
Annotation	Aesculetin-6-O-beta-D-apiofuranosyl-(1->6)-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.24909	0.2
53.11145	0.2
59.01389	0.7
60.42313	0.2
67.14417	0.3
71.63601	0.2
77.29415	0.2
81.03466	0.6
85.02969	0.9
89.03973	2.2
96.96014	0.3
101.02441	0.3
104.02727	0.5
105.03474	3.5
114.24136	0.2
121.03006	0.4
124.00750	0.3
128.03581	0.3
133.01965	0.4
133.02972	8.6
139.00343	0.3
148.01736	0.5
149.02448	1.1
176.01201	1.3
177.01950	100.0
178.02283	4.7
191.01987	0.5
471.11444	15.9
472.11960	1.7
472.17896	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23879	2.8
58.13834	2.4
59.01385	6.4
59.68573	3.2
61.98837	100.0
65.44815	2.4
69.31165	18.7
110.00074	4.5
111.00887	3.6
119.05053	23.5
123.00907	4.5
127.07657	3.7
159.04515	4.1
162.83839	3.8
175.07661	4.2
186.03209	6.4
188.04753	6.0
201.05568	7.6
203.07138	4.2
215.03667	2.8
251.00230	2.3
256.49136	2.8
269.13974	10.7
271.06253	3.7
323.12900	8.4
341.14005	28.2
342.65509	2.8
361.12796	3.0
365.13925	15.4
383.15128	12.8
407.18658	16.5
453.19131	9.3
470.03363	3.7
471.20291	84.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.6
60.77554	3.7
61.98837	100.0
67.77951	3.3
69.50868	22.1
71.41684	2.9
98.19944	6.1
119.05035	9.4
127.07700	7.7
136.98744	3.5
145.06706	3.2
148.03331	3.4
161.88126	3.3
175.07678	4.9
177.09004	2.7
186.03255	6.6
213.16006	3.7
269.13974	15.6
314.99979	3.1
323.12909	5.6
341.13940	29.5
365.13837	10.2
380.12134	3.6
383.14969	5.8
453.19073	4.7
470.19171	3.5
471.20328	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75998	5.2
59.01402	9.7
59.43171	5.6
61.47112	6.4
61.98837	40.4
69.51759	16.7
69.52162	17.6
72.47765	6.0
89.60509	5.1
99.03358	5.3
119.05056	14.2
127.57072	5.6
135.04553	100.0
136.04826	6.9
164.70259	5.9
176.78310	6.3
239.23071	5.1
268.92719	5.5
270.51630	5.7
271.13385	14.8
279.08838	5.5
289.14468	17.7
380.15897	7.4
407.18631	57.6
471.34534	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	470.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20372	3.6
53.96329	3.8
61.98838	100.0
62.76342	4.1
70.76025	4.8
70.76345	4.9
97.02195	3.7
119.05007	7.2
125.90510	3.8
144.02664	3.9
152.67740	3.6
252.07501	4.4
407.18939	6.1
471.20523	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	470.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.7
61.98834	10.1
63.28672	0.7
65.00349	1.3
68.99826	0.9
69.70487	3.4
83.01411	1.3
85.64240	0.7
87.04534	0.9
95.01368	0.8
98.19951	1.2
102.64435	0.6
109.02901	0.8
110.00091	4.3
111.00895	1.5
117.03491	1.2
119.05038	14.7
121.06631	1.3
123.00920	1.8
124.01662	1.2
125.09781	1.0
127.07655	2.7
133.06618	1.5
136.98817	2.7
137.99582	2.0
139.07651	1.1
145.03027	0.7
147.06601	0.9
152.01187	1.6
153.09204	1.0
156.00642	0.8
158.03738	0.9
159.04568	3.2
160.05376	1.0
163.04054	0.9
163.07706	1.3
167.10939	0.6
171.04524	0.8
172.05319	1.7
175.07713	2.6
177.05559	2.2
179.07175	1.1
181.08751	1.1
186.03273	4.2
187.04117	1.2
188.04868	3.9
189.05646	2.1
191.07182	1.5
192.08000	1.2
199.07745	1.0
201.05606	7.1
203.07201	2.9
205.04976	1.6
213.05588	1.1
219.06721	0.9
220.07390	1.5
225.05507	1.0
231.06685	1.6
234.05399	1.2
237.05501	1.0
243.06679	1.8
255.06596	1.2
264.11496	0.8
269.13898	2.0
271.06174	2.4
272.06943	1.1
273.07608	1.5
276.06451	1.2
279.10574	0.7
308.10614	1.2
321.07843	1.5
323.12952	11.3
325.11063	0.8
325.14612	1.8
326.11743	0.6
337.14224	1.0
339.15875	0.9
341.13943	17.4
343.11996	1.4
350.11777	0.7
361.12973	5.4
365.13934	10.8
367.11392	0.9
368.12833	1.2
383.15015	9.6
407.18591	0.9
453.19150	5.6
471.20279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.0
61.98837	100.0
69.79852	8.2
119.04288	1.7
119.05016	6.8
125.09769	1.8
129.22664	1.5
131.65350	1.3
141.24155	1.6
151.00374	1.5
236.61943	1.5
269.14038	3.6
324.54532	1.6
386.39294	1.5
470.19162	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	470.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10219	6.5
61.98836	60.1
69.26788	43.9
70.47791	5.3
71.62991	5.7
81.84702	6.5
96.83528	5.3
119.18713	6.1
208.18114	5.5
209.02950	5.5
218.11092	5.5
223.06915	5.4
233.94839	6.5
258.63962	6.5
452.43799	6.4
471.34882	100.0
483.91925	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	470.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.1
61.98838	100.0
69.72366	1.6
71.08418	3.7
76.48373	1.6
94.24451	1.8
96.15136	1.7
119.05019	3.1
135.00931	3.4
135.04521	1.7
142.17801	1.6
143.05133	2.1
153.01903	2.0
160.84155	2.9
186.81349	2.1
198.30702	1.8
204.11945	1.8
220.06938	1.8
269.13870	6.7
327.56458	2.1
407.18594	12.6
470.18811	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	470.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.2
61.98837	100.0
71.50287	2.9
78.04037	2.4
116.66897	2.4
119.05036	4.4
120.46540	2.0
124.01628	2.6
132.05881	3.4
135.00955	4.0
135.02827	2.4
161.09784	2.5
164.04779	3.5
180.00674	3.7
187.11284	2.3
190.92526	2.8
201.12831	2.5
211.11061	2.4
269.07944	2.4
271.17096	3.7
314.07779	2.7
321.22202	2.4
402.12988	4.6
407.18863	15.7
438.16312	4.4
470.18948	7.7
471.19986	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	469.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96737	3.3
56.69884	3.4
58.35624	3.4
59.01388	100.0
66.25896	3.0
71.40563	4.2
84.37846	2.9
91.59033	3.1
102.63856	3.1
105.50340	3.0
128.50264	3.0
147.21794	2.9
268.79779	3.2
298.37842	2.8
344.94901	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	470.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.4
61.98841	100.0
69.36780	19.0
74.74468	2.1
83.97329	2.2
88.12302	2.0
98.19915	4.7
119.05030	4.1
157.53813	2.3
242.05476	2.0
385.12909	3.4
470.19189	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	469.2238
Annotation	Neokurarinol
Peak:m/z	Relative Intensity
59.01378	4.5
61.98826	4.4
67.00272	1.6
69.36856	14.5
74.67811	1.5
99.00924	2.9
111.00883	4.4
113.13246	2.0
123.00925	2.3
124.01674	6.2
136.01682	3.6
137.02550	1.8
137.54506	1.9
139.00386	2.2
140.01245	4.0
144.63518	1.7
147.00830	1.8
149.99605	2.1
151.00365	2.4
152.01190	6.7
163.07639	3.5
164.01172	3.6
165.01915	3.3
167.07091	4.2
168.00624	1.9
177.99097	2.2
179.07170	15.6
181.08792	2.4
190.06390	2.9
191.07130	15.3
192.07907	4.1
193.01437	10.5
193.05154	2.2
193.08717	3.2
194.99442	2.4
202.02779	3.6
205.05107	2.6
207.06651	50.2
208.07242	2.1
209.08226	2.7
217.05025	6.0
218.05804	9.5
219.06671	5.7
231.06636	3.5
235.06128	19.8
236.06902	25.4
237.07314	2.4
246.05374	35.3
247.05824	3.1
251.09306	6.3
252.11729	2.6
261.07700	30.9
276.13760	10.5
279.08826	2.5
291.15988	17.5
292.16858	1.9
295.13422	5.2
315.12360	6.5
330.14731	17.4
339.12311	3.7
341.13870	3.5
357.13522	10.6
358.13715	1.9
367.12033	14.8
369.13501	7.0
382.14227	5.0
385.13043	17.9
386.13425	2.7
400.15424	3.4
437.16290	3.3
451.21323	22.6
452.21994	2.2
454.19974	3.3
469.22446	100.0
470.22989	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	469.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.4
61.98848	1.7
71.01364	2.1
71.54404	2.1
75.78516	1.1
79.05548	1.4
83.01368	1.2
85.02985	1.6
85.64301	1.1
91.01898	1.2
101.02477	1.2
108.02124	1.5
108.34836	1.1
113.02536	1.2
119.05032	15.4
121.02940	1.5
136.01671	4.0
137.99605	2.0
143.05081	1.7
149.06122	4.7
151.75798	1.2
159.04602	1.3
162.46075	1.2
163.00400	5.2
175.07707	2.7
176.08347	2.8
177.05414	1.6
186.03207	7.6
187.04045	2.5
191.07198	1.2
201.05591	10.2
202.06062	1.4
204.07857	1.3
205.04915	1.3
213.02013	2.1
215.03581	3.5
217.05092	4.2
227.03487	1.4
230.05865	1.5
267.06296	1.4
269.04562	2.6
269.08179	2.0
282.09085	2.5
283.06015	2.8
284.06702	1.3
297.07715	5.1
299.12912	3.4
303.63858	1.3
314.07907	2.3
325.07236	3.9
336.09747	1.6
337.14316	1.6
339.12210	2.8
342.14703	5.5
350.15149	1.5
351.12433	1.7
364.09665	3.4
366.15002	1.9
379.11890	100.0
380.12155	10.7
381.13495	1.9
393.13437	2.8
394.14246	8.4
398.13760	4.1
425.19672	1.2
426.13214	26.0
427.13376	3.8
427.23059	1.6
437.16043	12.0
438.16248	1.8
469.18658	34.2
470.18765	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	469.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
71.55145	0.3
78.95913	2.6
79.95744	2.8
85.02966	0.6
96.96022	100.0
96.96906	4.0
97.95981	0.4
149.40108	0.2
165.09181	0.5
209.08218	2.6
210.08595	0.3
260.96152	0.2
307.05017	0.2
371.13498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	5.6
59.01383	17.7
61.98835	13.1
67.01876	2.4
68.99854	4.1
69.03474	3.6
71.01411	3.7
71.05082	2.2
71.55082	3.8
83.01415	14.4
85.02958	29.7
95.01373	4.1
95.05037	12.9
96.96028	5.9
97.02981	3.1
97.06593	5.7
99.00928	2.6
107.05058	6.8
109.02966	4.3
109.06602	3.8
110.00127	9.0
110.03783	3.3
111.00900	11.5
111.04524	4.0
113.02470	5.8
113.06091	3.9
117.03500	6.7
119.01393	3.1
119.05047	38.3
121.02928	2.6
122.03761	3.5
123.00865	3.1
123.08209	3.3
125.06134	15.0
129.05618	5.5
132.05870	4.6
133.06642	13.5
134.03763	8.8
137.06097	6.5
139.00421	5.2
139.07672	3.9
140.01180	2.7
141.05588	65.8
143.05046	7.5
143.07158	5.5
145.02989	11.3
147.08195	7.8
149.06107	3.0
150.06842	3.5
151.07668	8.0
157.05113	3.9
158.03737	5.8
159.04536	48.2
160.05287	11.9
163.03973	5.1
163.07602	3.4
165.05597	27.9
165.09258	9.5
171.04521	4.1
172.05367	3.5
175.07663	52.8
177.05602	18.0
179.07112	4.9
184.05295	4.2
184.39240	2.4
185.02440	9.5
185.06136	5.4
186.03239	40.4
187.03984	24.4
187.07631	3.3
188.04832	7.5
191.03462	2.9
191.07129	4.0
199.07681	4.9
201.05592	65.5
202.06213	6.3
203.03502	4.2
203.07144	8.5
205.05133	13.5
205.12363	28.5
213.05664	3.2
215.03517	24.1
215.07193	3.4
217.05060	9.8
223.13464	13.3
229.12402	6.1
230.05872	16.4
233.08125	3.1
234.05298	5.4
237.05527	2.8
243.06610	6.4
251.07222	4.7
253.05109	3.3
255.06703	4.0
256.03754	4.0
259.06116	4.0
267.12305	4.8
269.04788	3.2
269.08279	5.8
283.13232	5.8
285.07690	3.4
287.05655	8.4
291.12372	13.0
297.07648	3.2
299.12897	100.0
300.13312	8.8
311.09262	4.1
311.12833	3.2
315.12622	7.5
317.14069	3.1
325.10815	14.0
327.12564	11.7
337.10922	3.6
339.12384	66.8
340.12796	6.0
345.13293	4.1
350.89590	2.7
354.11237	3.3
355.12003	14.6
357.13574	10.3
381.13651	8.2
391.16895	2.6
400.11926	3.4
407.18661	5.9
425.19797	16.2
451.17621	12.4
469.18741	85.8
470.19272	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	469.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.4
59.01382	2.2
69.99201	2.6
71.01387	2.9
72.99293	0.9
79.95735	2.2
84.02184	0.9
85.02957	21.1
86.03277	0.6
87.00924	0.7
89.02452	1.5
95.32369	0.6
96.96018	100.0
98.20028	0.9
108.09046	0.6
129.01955	1.9
133.01450	2.5
135.04532	1.2
185.76538	0.5
191.02020	5.0
209.03038	49.8
210.03398	1.1
215.10349	0.6
222.44630	0.6
277.00555	0.6
371.06339	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	469.0417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25437	0.7
57.03449	3.1
59.01389	2.4
69.84294	3.4
71.01389	3.2
79.95737	1.3
83.01419	0.8
84.02139	1.0
85.02962	28.1
85.84099	0.7
89.02463	2.0
96.96027	100.0
98.19882	1.1
107.35225	0.7
129.01941	1.5
133.01457	3.4
135.04547	1.1
147.03065	2.1
179.03542	1.1
191.02010	8.5
192.31776	0.7
193.17574	0.7
209.03056	67.5
210.03409	1.9
222.02087	0.7
283.01065	0.8
371.06302	5.8
429.74872	0.8
455.19781	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.4
59.01387	0.6
63.62926	0.3
68.95952	0.3
69.44721	2.6
70.79227	0.3
71.01389	1.0
71.46957	0.3
72.22366	0.3
79.95739	2.5
84.02164	0.5
85.02961	7.0
89.02457	0.5
96.96024	100.0
97.95973	0.4
114.76539	0.3
129.01950	0.5
133.01421	1.0
142.22713	0.3
147.02979	0.7
191.01997	2.7
209.03050	14.0
224.10231	0.3
371.06235	1.4
477.43378	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.9
59.01382	5.1
68.22312	0.7
70.93093	1.4
70.93418	1.1
71.01387	6.0
72.99318	1.1
73.44196	0.7
75.00849	0.8
79.95706	0.9
83.01427	0.8
84.02200	0.9
85.02959	43.0
87.00850	0.9
89.02466	3.5
96.96029	29.6
103.00393	1.2
128.03554	6.5
129.01956	2.9
133.01440	4.0
135.04543	2.4
147.03035	2.2
162.41266	0.9
164.13666	0.8
166.92754	0.8
180.74571	0.8
191.00423	1.4
191.01996	9.7
209.03058	100.0
210.01575	0.8
210.03395	2.6
248.97197	1.2
371.06216	8.6
371.47116	0.9
388.56122	0.8
407.56586	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	2.7
59.01384	2.9
62.69530	0.5
70.99389	1.1
71.01405	3.3
72.99293	0.5
75.00877	0.7
79.95744	3.1
84.02173	0.8
84.18332	0.5
85.02960	25.4
86.03319	0.6
89.02460	1.8
96.96023	100.0
98.72747	0.5
101.89201	0.5
104.50327	0.5
114.35032	0.5
118.96620	0.5
120.33431	0.5
125.02473	1.2
129.01978	1.3
133.01479	2.6
135.04541	1.3
137.02516	0.5
147.03011	1.5
156.46188	0.5
174.13551	0.6
191.00380	0.5
191.02003	8.2
209.03047	57.7
210.03407	2.0
234.99307	1.5
248.97272	1.0
271.79703	0.5
277.00394	2.1
293.09116	0.8
303.01758	1.1
303.46805	0.5
371.06339	4.8
409.00668	1.0
433.13422	0.9
450.06531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75197	5.2
59.01376	7.9
61.98841	100.0
67.91724	5.1
68.13981	5.1
98.19959	17.7
143.75146	5.5
229.06728	6.3
272.71408	5.4
322.96320	5.5
405.16971	10.2
414.40686	5.9
469.18594	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	468.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	2.6
57.59676	0.5
59.01385	16.3
60.01715	2.2
61.01813	2.5
61.98838	100.0
71.01394	5.1
71.54337	0.7
72.01730	0.6
72.99326	0.7
78.95926	1.8
83.01425	1.3
85.02966	7.1
86.03305	1.4
87.00932	0.5
89.02452	3.7
95.01415	0.8
95.05103	0.6
96.96031	4.4
97.03000	0.7
101.02457	2.7
109.02948	3.7
110.03318	1.4
113.02499	1.1
119.03471	0.6
121.03000	1.0
123.00919	1.1
125.02462	15.7
126.02809	6.0
129.01974	0.7
131.03519	1.4
137.02457	6.2
138.02777	3.1
139.04050	4.0
140.04410	1.4
143.03587	0.5
147.03018	1.1
149.04578	3.0
161.02544	0.7
164.01210	2.1
165.01987	3.6
166.02335	2.0
167.03493	4.3
168.03877	2.2
177.05663	0.7
178.05923	0.8
179.03554	3.8
180.03925	3.5
191.01979	2.6
191.07213	0.6
192.02365	0.8
195.06618	0.6
204.03978	0.9
205.04730	0.6
209.03079	1.4
211.98167	0.5
219.06598	2.9
220.06911	2.7
221.04602	1.5
222.04988	1.3
225.07748	0.8
262.07999	0.9
270.09857	0.7
277.13095	0.7
295.49112	0.6
305.06689	12.2
306.07034	25.2
307.07028	2.5
408.22864	0.6
409.17078	0.8
451.46695	0.6
468.12363	6.3
468.18216	1.5
469.23453	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.3
57.03460	13.8
58.00593	1.2
59.01388	57.5
60.01727	1.7
60.49212	0.8
60.99326	0.8
61.98835	12.6
65.00358	1.1
68.05987	0.7
68.99811	1.0
69.98428	3.2
71.01391	16.4
72.01717	1.0
72.99325	2.7
73.02952	1.9
75.00883	3.0
78.95908	5.7
81.03470	1.0
83.01397	2.8
84.02184	3.0
85.02961	100.0
86.03303	1.9
87.00870	2.5
89.02453	18.2
95.01396	1.0
96.96033	8.1
96.96979	1.2
101.02455	9.4
103.00376	1.8
107.01444	0.8
109.02988	1.4
111.00927	0.8
111.13046	0.7
113.02460	7.0
114.05573	0.9
114.15956	0.8
119.03536	6.9
123.04527	1.2
125.02467	12.1
126.02801	2.8
127.02943	2.3
129.01938	6.7
133.01479	0.8
134.03732	1.4
135.04547	1.9
137.02444	2.0
143.03473	1.3
147.03023	10.9
149.02480	1.7
149.04588	1.0
149.06113	1.1
151.00404	2.7
153.00786	1.1
153.01918	1.6
159.04468	1.1
161.04558	4.5
165.01924	1.2
167.03526	2.3
168.03893	1.1
173.06091	1.1
175.04016	1.0
177.01926	2.0
179.02420	1.0
179.05688	4.5
187.07648	1.3
191.01997	35.1
192.00665	1.0
193.01448	1.8
209.03036	19.1
257.07974	0.8
267.08875	2.3
275.05685	1.4
275.09198	2.1
277.06320	1.6
285.04150	2.2
286.04431	3.3
287.04694	5.9
303.05206	2.9
304.05374	2.8
305.05823	7.1
305.11792	1.3
329.06631	1.7
355.06720	1.3
406.21649	1.1
407.22864	20.7
408.23157	1.5
423.28018	3.8
467.12115	1.6
467.17432	3.6
467.28571	1.0
470.10825	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
56.97591	0.7
57.03455	5.0
59.01387	100.0
60.01727	1.2
61.98833	6.1
66.31164	0.5
68.96809	0.5
69.37697	4.5
69.38111	1.1
71.01387	12.8
72.99325	0.8
73.02965	1.7
75.00880	1.1
78.95930	2.0
83.01412	1.8
84.02148	1.1
85.02962	35.6
86.03323	0.7
86.71992	0.6
87.00907	1.3
87.79218	0.6
89.02453	13.6
89.03017	0.7
96.96027	9.4
101.02463	6.1
109.03002	0.6
113.02483	4.2
119.03509	6.0
125.02458	5.4
126.02805	0.8
129.01990	1.7
131.03494	0.7
137.02454	0.8
143.03543	1.2
147.02998	3.9
149.02505	0.9
149.04616	0.8
153.02036	1.2
153.09224	1.0
161.04593	4.2
177.02008	1.1
179.05659	4.8
191.02002	11.3
205.92686	0.5
209.03038	5.7
217.10883	0.7
245.17593	3.8
275.09573	0.8
277.06464	0.8
285.04068	0.9
287.04626	1.4
304.05551	1.3
305.05725	1.6
407.22830	17.8
408.23499	1.6
423.28052	1.2
456.74008	0.6
467.17477	1.0
467.22311	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.2
55.17491	0.8
56.31426	0.8
56.86439	0.9
57.03456	17.0
58.00592	1.6
59.01384	68.3
60.01704	0.9
69.31213	8.0
71.01389	26.3
71.15351	1.0
72.95049	0.9
72.99316	3.0
73.02950	16.3
75.00866	3.0
75.40229	0.9
83.01403	2.0
84.02146	2.4
85.02959	100.0
86.03297	2.1
87.00883	5.1
87.04512	2.0
89.02455	25.0
97.02932	1.5
99.00903	0.9
99.04539	3.6
101.02453	25.8
101.63570	0.9
103.00396	1.3
103.04025	11.6
111.00878	1.1
113.02456	3.8
115.04028	3.0
119.03529	7.2
125.02463	3.3
126.88354	0.8
127.04011	1.1
129.01939	5.0
131.03514	4.6
132.69237	0.8
133.01445	5.3
134.03790	1.4
143.03516	6.9
145.05057	3.0
145.07698	1.5
145.74252	0.9
147.03024	8.0
160.06433	2.2
161.04553	3.0
161.07231	7.8
163.06149	35.7
175.08817	5.0
179.05656	2.6
187.08844	1.4
189.06731	10.6
190.07156	1.1
191.02005	22.2
201.10365	1.7
203.08250	5.3
203.11819	1.3
205.07173	11.6
209.03050	62.8
210.03456	2.3
213.09120	2.2
229.09770	2.6
231.10237	1.8
249.69415	0.9
257.08359	4.2
261.13422	1.6
265.09305	2.6
275.09351	1.2
305.11411	7.7
306.11826	1.3
306.81192	0.9
323.12497	16.2
324.12857	1.7
357.05969	1.3
365.13544	0.9
407.19159	14.8
408.19632	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
61.93637	0.5
63.73135	0.6
65.00337	2.9
68.99824	0.8
71.54509	0.6
75.00881	10.3
83.05034	1.0
88.06805	0.6
93.03503	1.5
110.00117	0.6
112.77583	0.7
115.05546	0.8
117.03464	1.3
119.05042	19.0
121.02889	0.7
127.04025	1.3
131.05052	3.0
132.05814	3.5
133.06618	10.1
136.98822	1.3
139.07664	2.2
143.05038	3.4
145.02954	1.0
149.06119	0.6
158.03702	1.1
159.04459	1.1
163.07658	1.0
168.00607	1.3
169.06583	1.2
170.62398	0.6
171.04543	5.5
173.02414	0.9
173.06128	0.8
175.03932	1.0
177.05554	2.5
185.02432	1.3
186.03224	10.1
187.03960	2.1
188.04739	0.8
189.05547	1.7
189.12932	1.3
190.06407	0.8
198.03282	4.4
199.04037	3.8
200.04736	0.8
201.05597	9.7
203.03516	2.6
203.07111	1.9
204.04312	3.2
204.05934	0.6
205.05066	13.0
205.12257	0.7
211.04045	1.6
211.11256	0.9
214.06401	1.9
215.03571	3.9
225.05621	0.8
227.03458	1.4
230.05919	4.5
235.11420	0.8
239.03668	1.5
241.05119	1.8
242.05901	0.9
245.08278	1.1
252.04179	1.4
254.05817	1.8
256.03818	1.0
261.07578	1.2
263.10797	8.7
264.11386	1.4
267.06586	1.1
270.05295	4.1
274.04910	1.2
278.13019	1.4
279.10251	2.4
280.10809	0.7
285.07724	0.9
289.07123	0.7
292.07327	0.8
295.09894	3.0
295.12823	0.7
307.09827	12.4
308.09964	1.1
321.11319	1.4
322.12112	12.1
323.09274	3.6
323.12717	1.3
324.10071	1.6
336.13443	0.8
337.10596	0.8
338.11633	1.9
339.12384	30.5
340.12943	2.8
354.14902	1.0
380.12689	1.4
383.11221	0.9
391.19244	7.7
392.19647	0.7
397.12820	1.0
398.13651	1.0
407.18640	8.1
408.19141	1.9
423.21994	1.1
423.34976	1.6
435.18173	3.7
467.20764	100.0
468.21082	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	467.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02950	1.1
110.00087	3.4
119.05033	8.2
120.05244	0.7
121.06595	4.5
123.00890	1.3
124.01693	1.1
125.68565	0.7
137.02423	1.1
137.91827	0.7
137.99594	3.1
149.02467	1.9
149.06136	1.4
151.00366	2.7
152.01155	1.3
163.00381	1.7
163.04012	1.7
165.01903	1.8
165.05577	2.5
165.99112	1.0
167.07019	0.8
169.02448	0.8
177.05540	1.0
178.06384	5.5
190.02693	0.8
191.03548	3.9
192.07986	0.8
193.01393	2.0
193.05075	12.5
194.05316	1.1
201.05589	1.4
203.07137	1.8
205.05135	1.6
206.05884	7.0
207.03061	1.2
207.06624	1.0
221.00966	1.3
221.04538	12.2
225.05495	0.9
229.09190	0.9
234.05336	1.0
235.06067	2.4
236.06898	3.1
252.11725	0.9
262.04825	0.8
263.05664	1.8
264.06369	3.5
269.04562	1.8
270.25189	1.0
271.13181	0.8
273.07748	1.3
277.07199	8.0
283.09790	1.0
285.04330	0.9
285.07748	1.4
287.16656	1.0
299.09360	3.6
299.12561	1.1
300.06430	2.8
308.51208	0.8
312.09967	1.0
313.07132	2.0
313.10562	0.9
322.04611	0.8
327.08679	4.5
327.12341	26.6
328.12704	1.8
341.10156	1.2
341.14053	1.4
353.14081	0.9
355.08115	9.0
355.11923	31.0
356.08224	1.0
356.12219	1.6
356.19904	0.8
369.13593	5.3
370.14078	3.9
371.14841	1.6
383.11331	1.5
391.19101	2.3
393.20435	1.1
398.13733	100.0
399.14029	8.7
449.19836	2.6
467.20782	42.0
468.21341	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	467.2076
Annotation	2,3-Dihydronimbolide
Peak:m/z	Relative Intensity
50.66665	1.6
51.16685	1.5
53.95534	1.6
65.00343	5.8
68.95945	1.6
69.69823	9.7
73.02952	3.0
75.00875	3.1
79.05553	1.9
91.05534	2.0
93.03463	5.9
94.04253	16.5
107.05035	5.3
108.02180	1.7
109.06603	90.2
110.00092	2.1
110.06960	2.5
112.62854	1.7
117.03461	2.7
119.05048	39.4
121.02958	6.2
121.06595	5.7
122.03751	2.8
131.05048	7.9
132.05864	3.9
132.32652	1.7
133.02908	1.9
133.06625	22.2
134.03787	1.9
137.06090	37.8
138.06451	2.6
141.09270	2.3
143.05037	1.8
145.02982	4.6
145.06627	1.9
147.04515	2.7
149.06155	2.8
158.03656	1.9
159.04536	5.7
161.06088	2.1
165.05537	11.5
169.06595	2.6
169.08701	8.2
171.04575	2.0
173.02473	1.7
173.06032	4.2
174.03253	3.9
175.07643	4.4
177.05602	67.9
178.06200	2.5
185.06061	3.2
186.03270	3.3
187.04002	3.4
197.06215	2.6
197.08211	25.3
199.04030	5.4
201.05521	8.3
202.06311	3.1
204.04213	3.5
205.05055	4.1
211.03998	13.8
211.11296	5.1
212.04761	2.6
213.12805	2.7
214.06294	3.4
219.06677	2.0
221.04646	2.4
223.07803	2.2
224.11934	2.4
225.05594	2.9
227.07166	6.7
229.05154	2.1
229.12297	3.1
231.13930	4.3
235.11296	7.6
236.11816	2.2
237.09315	8.9
238.10010	6.0
239.03529	5.2
239.10614	3.5
242.05811	3.4
242.09421	2.6
243.13847	6.0
247.13411	2.8
249.04045	5.3
251.07187	11.8
253.12389	3.2
257.11920	10.6
263.10806	5.8
265.08661	2.7
266.09436	8.6
267.10031	1.6
267.13852	2.4
268.11227	2.0
270.05362	14.2
279.10266	9.2
280.10895	2.3
281.11890	11.2
283.13382	2.3
285.07657	6.8
289.14496	84.8
290.14798	7.6
294.12323	2.0
295.09985	3.1
295.13351	5.1
307.09848	15.6
313.14471	7.6
322.12170	7.6
323.09183	2.1
335.20151	2.8
339.12402	42.6
340.12863	2.3
354.14734	30.3
358.16193	1.8
363.19754	5.6
366.10941	4.2
391.19220	37.3
392.19498	4.5
395.22241	2.2
407.18692	20.6
408.18881	2.9
411.21616	4.6
423.21707	8.5
435.18192	35.1
436.18439	5.5
467.20746	100.0
468.21075	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	467.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
57.03204	0.9
57.03455	10.6
59.01383	20.0
60.29737	0.8
61.98835	6.3
69.03443	1.5
69.96145	2.6
69.96561	1.7
71.01389	14.4
71.04990	1.0
72.99318	5.5
73.02956	1.9
75.00886	12.8
78.95917	1.3
81.03467	1.7
83.01396	2.1
83.05042	4.3
84.02184	1.6
85.02960	83.1
86.03287	2.0
87.00889	4.8
89.02460	4.8
95.01396	2.0
96.96035	1.5
97.06628	1.3
98.20572	1.2
99.00900	6.7
101.02439	2.6
103.00372	1.2
111.04543	1.1
113.01736	1.0
113.02477	10.4
113.77840	0.9
115.00374	1.2
117.02010	1.8
125.02414	1.1
127.11301	2.4
129.01959	5.3
133.01485	1.0
134.06067	1.0
137.09746	10.1
138.01027	1.5
138.02008	19.1
138.05630	1.8
147.03011	8.0
155.10809	20.4
156.11169	1.2
167.03540	3.2
168.03839	1.3
169.04018	1.4
173.11842	2.5
175.02504	1.8
181.08736	4.0
187.07570	2.2
191.02014	23.9
199.09802	24.5
209.03036	18.7
217.10841	20.2
218.11240	1.1
245.09407	0.9
249.06172	7.2
267.07285	1.9
275.09421	1.2
287.14029	3.9
291.14584	5.5
407.22391	1.2
449.16791	3.6
460.22235	0.9
467.17722	100.0
467.28745	4.5
468.17996	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	467.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21294	0.7
55.88785	0.6
58.81223	0.6
59.01361	0.6
61.11826	0.6
62.94598	0.7
65.00320	1.2
65.14916	0.7
68.99819	3.9
70.95170	1.3
71.01349	0.8
72.18430	0.5
83.01388	1.6
91.01910	5.9
99.40903	0.7
107.04999	0.7
109.99397	0.7
110.00114	8.4
111.00892	0.8
115.05492	0.8
119.05050	1.1
123.00890	3.3
133.06566	2.9
134.03760	9.9
135.04440	1.9
137.02475	0.8
137.99619	6.9
149.02408	1.4
149.06084	7.9
151.00383	6.0
157.06590	1.2
163.00391	9.6
163.04031	8.4
173.06038	0.8
175.03946	1.0
177.05576	2.7
178.06361	7.9
178.99847	1.8
190.99898	2.1
191.03516	6.5
191.05058	0.8
191.05598	0.7
191.07098	4.8
201.05708	0.9
205.05043	3.8
206.05885	5.4
207.06329	0.9
215.03540	1.1
216.04286	1.2
217.05048	1.6
219.03075	1.8
219.06642	9.0
220.07037	0.9
233.04514	5.8
234.05342	25.5
235.05640	1.6
243.10228	0.8
247.06100	4.3
287.05722	0.8
306.07596	0.9
315.08585	0.8
327.08893	2.0
327.12424	1.1
343.08209	1.3
355.08142	3.4
355.11984	2.5
370.14294	0.8
371.15091	0.8
383.11526	5.8
398.13718	100.0
399.13992	11.4
449.19391	1.1
467.20764	24.0
468.15228	0.7
468.21222	2.2
476.36526	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.12
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
57.03458	8.3
59.01386	9.5
60.78035	0.6
61.98840	0.8
71.01390	11.8
71.99860	0.5
72.98338	0.5
72.99318	1.9
75.00883	2.2
83.01392	1.3
84.02180	2.1
85.02962	76.1
86.03305	1.5
87.00902	1.4
89.02451	5.7
93.02744	0.7
101.02450	0.6
103.00391	2.0
128.85236	0.5
129.01962	4.6
133.01437	6.3
147.02992	4.9
167.72560	0.5
187.07635	2.3
191.01997	18.9
192.02348	0.9
202.06381	0.6
209.03047	100.0
210.03447	3.8
213.09312	1.2
231.10329	1.0
257.08231	1.2
275.09268	0.6
431.28207	0.7
467.10452	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58612	1.5
55.01875	3.5
57.03457	50.7
59.01120	1.9
59.01389	30.9
61.98824	7.1
69.22381	8.1
69.22809	5.9
71.01382	18.3
72.59003	1.4
72.99340	3.4
73.02961	2.8
75.00887	2.7
79.79298	1.5
83.01408	2.3
84.02175	1.8
85.02962	100.0
86.03351	2.3
89.02467	8.6
99.04527	19.8
101.02452	12.9
103.00357	2.3
110.73946	1.5
125.02455	6.4
126.65470	1.5
129.01968	4.0
133.01443	7.2
145.07765	4.4
147.02991	9.2
160.06448	11.1
161.04536	11.3
161.07225	41.0
162.07541	1.8
171.10272	2.5
173.10847	2.6
175.08788	32.1
176.09160	1.7
185.10887	2.8
187.08830	6.1
189.06720	70.8
190.07008	4.3
191.01991	22.6
198.17915	1.6
201.10370	6.5
202.10710	2.0
203.08284	32.1
203.11900	7.3
209.03052	77.4
229.09842	20.1
257.08188	2.0
305.11478	64.6
306.11832	4.6
320.86624	1.6
323.12527	87.0
324.12939	8.1
365.13535	11.9
444.82376	1.6
467.16565	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	467.0989
Annotation	Cadensin G
Peak:m/z	Relative Intensity
56.10358	0.4
59.01379	1.9
61.98841	0.5
63.02404	1.1
65.00324	0.7
69.20683	4.0
71.01380	0.8
78.95910	0.5
85.02953	1.7
98.19775	0.7
107.01421	0.7
109.02940	0.7
111.05582	0.4
111.69592	0.4
113.02489	0.5
119.04987	0.6
148.37666	0.4
151.00389	1.4
155.91234	0.5
183.04541	2.0
185.02533	0.6
186.03264	0.7
187.03918	0.7
187.11313	0.7
191.02014	0.5
199.04076	0.6
201.05510	0.5
211.04114	0.5
227.03484	1.0
255.03008	100.0
256.03314	7.3
283.02505	28.1
284.03104	3.6
285.03909	0.8
293.75540	0.5
298.05170	0.5
429.02209	0.9
467.09879	65.5
468.10333	8.1
468.16953	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14920	0.7
55.01880	1.5
57.03455	9.7
59.01386	10.0
62.24162	0.6
68.99821	1.1
71.01391	11.9
72.99310	2.8
75.00881	4.3
83.01391	1.3
84.02187	1.5
85.02960	82.6
86.03286	1.5
87.00886	2.2
87.38170	0.7
89.02460	4.2
101.02431	0.9
103.00379	1.7
115.00382	1.2
129.01962	4.7
133.01447	6.1
138.05679	1.1
147.03015	7.3
187.07669	4.5
191.01997	22.8
209.03047	100.0
210.03365	3.4
231.10315	1.6
257.08151	0.9
275.09320	1.5
393.21487	0.9
467.11786	0.9
467.28693	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	467.1213
Annotation	Catechin-4-ol 3-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
57.03458	5.4
59.01381	4.9
60.01721	0.7
61.98830	1.8
69.03471	1.0
70.59029	0.5
71.01378	3.2
71.53893	0.7
72.99332	1.4
75.00864	1.8
78.95907	1.1
81.03456	3.2
83.01395	3.6
85.02959	19.2
87.00892	1.0
89.02460	1.2
93.03460	2.3
95.01378	2.2
95.05027	1.8
96.96017	10.5
97.02953	2.7
99.00930	1.8
103.00420	0.7
109.02969	10.7
111.00945	0.8
111.04536	3.0
113.02465	2.0
119.05024	2.2
121.02968	2.3
123.00896	4.2
123.04510	1.7
124.01671	3.0
125.02460	57.2
126.02781	1.9
129.01907	1.1
133.02893	0.7
134.04764	0.7
135.04527	1.6
137.02463	27.9
137.09755	0.8
138.03212	1.8
139.04031	12.8
147.02992	1.6
147.04543	0.7
149.02438	2.1
149.06079	1.3
151.00354	0.7
151.04004	2.8
155.10777	2.6
159.04489	1.9
161.02544	4.1
162.03174	0.8
163.03998	1.0
164.01169	5.4
165.01955	17.9
166.02727	3.0
167.03520	18.2
168.03812	0.9
173.06033	0.9
175.04013	2.5
175.07635	0.7
176.04808	0.7
177.01961	5.7
177.05603	4.8
178.02661	0.8
179.03505	17.7
191.01985	6.9
191.03519	1.0
191.07126	2.0
196.76660	0.7
199.09740	3.3
201.05539	2.2
203.03529	3.9
204.04262	3.1
209.03050	5.4
215.07147	1.0
217.10858	2.1
218.05817	1.3
219.06636	15.0
221.04553	6.8
237.07544	1.4
239.05664	0.9
243.06572	1.8
249.06204	1.0
261.07675	5.9
263.05600	0.7
272.35507	0.7
287.05701	0.8
289.07281	4.5
305.06683	100.0
306.07114	7.4
320.06445	0.6
376.48434	0.7
465.37839	0.7
467.11786	16.8
467.17813	11.9
468.12323	2.1
468.18109	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	31.4
69.36607	64.5
69.37029	100.0
71.40191	24.0
85.01985	22.4
98.20611	42.3
142.18439	20.1
174.46692	21.4
174.96472	22.9
304.43198	20.1
350.88492	23.7
380.29132	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.5
59.01383	5.5
60.01719	0.5
61.98837	100.0
71.01379	4.6
72.99318	1.0
75.00874	2.2
78.91914	0.6
83.01406	0.8
84.02203	0.7
85.02959	23.5
87.00908	0.7
89.02453	1.9
95.16081	0.4
101.02486	0.7
113.02427	0.6
129.01961	1.2
133.01456	1.5
147.02994	2.3
155.10875	0.8
161.04572	0.5
191.01994	6.6
199.09660	0.6
209.03044	24.9
287.14093	0.5
406.21350	1.0
435.24133	0.4
467.17914	2.1
467.28857	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	4.0
59.04958	0.8
61.98838	100.0
63.70272	0.8
71.01395	1.3
85.02954	2.4
89.86452	0.8
108.91529	0.8
113.02438	1.0
145.97249	0.8
164.49374	0.8
191.01901	0.8
209.11801	1.3
238.30331	0.7
264.12555	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01956	0.7
59.01376	3.4
61.98838	100.0
64.38173	0.6
69.55125	4.3
71.01402	0.9
72.63836	0.8
85.02965	1.4
150.03030	0.6
150.98236	0.7
165.12845	0.8
189.11871	0.6
190.79779	0.7
205.47287	0.7
257.17322	0.7
289.06375	0.8
309.59912	0.7
315.65509	0.7
474.76349	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.5
57.03465	1.5
58.00595	1.0
59.01388	100.0
60.01742	1.3
61.98838	3.2
63.16080	0.7
65.05477	0.8
69.03480	1.0
70.28031	3.1
70.28403	0.8
71.01394	23.9
71.01785	1.2
72.99296	1.3
73.02953	6.3
80.37486	0.8
81.03464	2.2
83.01389	4.4
85.02966	10.6
87.00871	1.3
89.02457	11.3
95.01409	1.4
97.02953	1.0
99.00902	3.4
99.04541	2.9
101.02458	25.2
101.03121	1.5
106.19093	0.7
109.02975	1.7
113.02475	9.9
119.03535	5.0
121.02979	1.4
123.04549	2.2
123.92979	0.7
125.02479	7.1
129.02031	1.3
131.03513	1.1
134.03760	6.9
137.02466	1.1
139.04044	1.7
141.09253	2.9
143.03473	1.8
149.06067	5.3
149.63882	0.9
151.04022	1.2
153.01978	0.9
159.03029	1.7
161.04585	17.8
165.01978	0.8
165.09308	1.0
167.02205	1.1
167.03535	14.4
168.07799	0.9
177.01971	1.7
179.05644	2.7
193.05081	3.6
197.04561	1.3
228.95517	0.8
235.02499	2.2
243.16061	9.9
267.08725	9.8
285.04007	2.1
300.22211	0.9
303.05261	1.5
303.08734	2.6
311.71866	0.8
345.05905	4.0
405.21338	44.3
406.21597	4.6
465.10309	0.8
465.16440	2.8
466.16745	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28456	1.1
52.77749	1.1
54.16740	1.2
57.03446	4.4
58.00578	2.2
59.01388	100.0
61.98825	2.1
62.91193	1.0
69.91029	5.1
71.01390	38.2
72.99294	2.3
73.02950	4.1
75.00868	6.5
83.01421	1.6
85.02959	13.1
87.00899	2.7
87.33643	1.3
89.02460	44.8
89.03012	2.4
93.03512	1.6
95.01428	2.0
95.12238	1.0
97.06701	1.1
98.20554	2.1
99.00890	2.9
101.02463	20.9
107.01400	1.4
113.02478	19.5
119.03519	20.4
125.02465	13.2
131.03514	3.0
137.02495	1.2
143.03490	4.6
149.04575	2.4
151.00372	5.5
151.03987	3.5
151.11281	1.8
153.01920	1.7
161.04607	14.4
169.12402	1.3
175.04010	1.7
177.01909	2.4
179.05632	26.6
181.12219	1.2
209.03064	2.2
225.14951	2.3
229.08461	1.6
243.15970	5.2
245.95578	1.3
285.04221	6.8
303.05154	9.1
303.08368	1.7
331.17657	9.4
389.74213	1.1
401.39972	1.3
405.21317	52.8
406.21564	4.8
427.68472	1.1
440.64545	1.2
465.09918	7.6
465.19128	2.3
465.23758	2.2
470.10114	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93876	0.8
57.03451	1.1
58.00587	1.0
59.01388	100.0
60.01704	1.1
61.98840	4.5
71.01389	17.5
71.11574	1.5
71.11928	1.1
72.99322	1.8
73.02946	3.1
75.00884	6.0
76.53741	0.9
76.91527	0.8
79.95761	0.7
81.03479	1.5
83.01405	1.7
83.05013	0.9
85.02966	13.0
87.00892	1.7
87.04544	1.0
89.02460	16.9
95.01408	1.3
96.96020	2.8
99.00896	1.8
101.02460	12.1
109.02973	1.3
110.35984	0.8
113.02464	9.7
119.03524	7.8
122.06107	2.3
123.04539	0.9
124.07696	1.6
125.02487	2.8
131.04373	0.7
136.07693	3.2
137.02425	0.9
143.03563	2.0
149.04561	1.9
151.04022	1.7
159.02878	0.9
161.04582	8.4
167.03542	2.9
168.06677	2.0
177.01939	0.9
179.05650	8.7
191.01981	1.4
195.07126	0.7
200.09616	0.8
209.03050	3.8
215.11894	3.0
229.08624	1.7
243.16074	5.2
259.06110	1.6
285.04126	0.8
285.12534	6.6
303.05078	1.2
303.09747	2.7
303.13550	2.6
345.10800	1.2
385.27136	0.8
387.75854	0.8
405.21338	24.8
406.21646	2.9
465.09534	2.4
465.14658	1.9
465.27679	3.9
466.15363	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
55.34152	0.7
57.03453	1.7
58.00592	2.0
59.01387	100.0
60.01733	1.0
61.98840	2.2
64.40617	0.7
65.00320	1.0
69.48327	2.4
69.48742	3.1
71.01390	34.3
72.99317	2.2
73.02960	2.1
75.00880	9.4
78.91908	0.8
83.01399	1.5
84.14661	0.7
85.02956	11.8
87.00872	1.9
89.02454	40.3
95.01410	2.4
96.96058	1.4
99.00880	2.1
101.02454	21.3
107.01400	0.9
109.02962	1.0
113.01734	1.0
113.02467	14.2
118.78654	0.7
119.03517	18.9
121.02909	1.2
123.04554	3.6
125.02471	2.6
131.03522	2.5
143.03508	5.0
147.02966	0.9
149.02489	1.5
149.04593	2.2
151.00397	5.9
151.03995	3.8
161.04613	9.0
174.53401	0.8
175.00560	0.9
179.05630	21.7
209.03038	2.6
220.85483	0.8
224.66025	0.8
243.16096	2.4
259.06021	4.7
285.04056	2.7
303.05164	2.9
303.14099	0.9
326.12253	1.0
331.17514	1.1
343.04520	1.0
344.04968	1.0
345.05344	4.0
375.06168	2.8
389.37146	0.8
405.21350	30.4
406.21701	2.7
465.09595	4.1
465.19278	1.0
465.27170	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.8
59.01386	100.0
60.01706	0.6
61.98846	0.8
63.69652	0.4
63.98985	0.4
69.17970	5.3
71.01388	6.3
81.30661	0.4
85.02953	1.3
87.00952	0.5
89.02450	10.8
98.20627	0.9
101.02469	4.1
113.02438	3.9
119.03523	5.1
125.02488	1.1
131.03548	0.6
143.03600	0.7
161.04605	1.2
179.05634	3.7
267.24118	0.6
285.04153	1.2
326.62527	0.5
405.21317	2.5
465.23318	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13509	0.6
54.38447	0.6
68.99823	1.1
69.33117	2.8
69.33542	2.3
85.88458	0.6
87.22070	0.6
97.06597	2.5
107.05061	1.6
109.06596	2.4
110.00094	0.9
117.03448	1.5
119.05037	15.6
123.00967	0.8
123.04548	0.7
130.04271	1.0
135.04539	1.4
143.05141	0.7
147.04547	0.8
149.06038	1.0
158.03716	1.1
159.04573	3.9
161.06053	0.9
162.03255	0.7
163.00406	0.8
163.07645	0.7
173.09756	0.6
175.07654	2.5
175.11290	28.3
176.11639	2.2
177.01923	1.7
185.02525	1.4
186.03242	11.5
187.03835	0.9
188.04666	1.1
189.05537	1.3
191.03557	0.7
201.05580	10.5
202.05948	1.1
205.05051	1.2
217.12292	1.6
219.13933	2.7
233.04793	0.8
234.05357	1.7
240.41641	0.6
271.06104	0.7
309.11270	0.8
323.12918	2.3
325.10812	2.5
335.09274	2.2
339.12820	0.7
341.14038	1.0
349.10852	1.6
353.10260	1.1
367.11880	1.9
368.12634	6.2
393.17041	1.2
406.14331	1.2
421.16556	11.1
422.16986	1.3
465.19193	100.0
466.19531	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	465.1923
Annotation	Eriotriochin
Peak:m/z	Relative Intensity
51.83699	0.7
52.30043	0.7
65.00314	0.9
68.99815	1.0
70.42801	1.7
77.92962	0.7
80.47922	0.7
90.35217	0.7
93.03429	0.9
97.06601	6.1
101.03873	0.8
107.05007	1.2
108.02194	1.1
109.02934	0.9
109.06590	0.8
114.64272	0.8
119.05039	50.5
120.05408	2.3
121.02949	1.8
122.03802	0.9
123.00919	0.9
133.06650	1.2
134.03719	0.9
143.05040	1.3
145.02991	4.1
145.06577	1.4
147.04544	1.7
149.06100	0.8
152.01190	2.1
159.04561	4.6
160.05386	0.8
161.02448	1.4
161.06149	1.0
163.07672	1.5
165.02000	1.7
174.03171	0.9
175.07658	3.1
175.11287	11.5
177.01942	2.9
185.02501	0.9
186.03233	6.1
187.04033	2.0
188.04785	3.0
189.05577	2.1
190.06213	1.0
191.03543	2.3
201.01945	1.6
201.05597	8.1
203.07196	4.3
205.04985	1.7
213.12823	0.9
215.03407	0.9
217.12390	1.0
230.99460	0.9
234.05408	1.4
243.13959	1.5
245.15506	1.6
257.11911	1.2
267.06793	0.9
269.11963	1.0
271.06097	1.0
279.06699	2.1
287.13004	7.0
297.07642	1.3
305.14371	0.8
307.09756	1.0
308.10742	2.0
309.11301	1.7
312.10138	1.1
323.12833	4.9
325.10822	6.6
335.09305	6.1
341.14166	2.1
349.10843	3.0
350.11368	1.6
353.10391	2.8
367.12143	1.2
368.12500	4.4
377.17798	1.1
379.19235	3.9
396.12088	0.9
407.18677	57.6
408.19034	7.6
421.16568	3.3
447.18152	1.3
447.23743	0.8
465.19229	100.0
466.19641	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	465.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96620	0.6
56.45310	0.7
58.75821	0.6
65.00320	1.0
65.34786	0.6
68.99825	0.9
69.41036	5.1
97.06573	1.7
107.05058	1.2
109.06619	2.2
110.00124	0.7
117.03517	1.5
119.05048	16.2
120.05401	0.7
121.02982	1.2
123.04555	1.4
132.05872	0.8
133.06622	0.8
135.04526	1.3
137.02499	0.6
145.02919	1.1
147.04562	1.3
151.00349	0.8
158.03763	1.3
159.04512	3.2
160.05241	0.6
163.00398	0.7
163.04047	1.0
163.11212	0.6
175.07668	2.9
175.11299	25.0
176.11629	2.2
177.01971	2.0
185.02454	2.3
186.03249	10.6
187.03981	0.9
187.11314	1.5
188.04802	1.3
189.05545	1.2
191.03566	1.4
201.05592	11.2
202.06200	0.8
203.07130	1.0
205.05104	1.0
215.03331	1.0
217.12392	1.3
219.06654	2.1
219.13910	2.8
234.05255	0.8
261.11343	0.8
271.06186	0.7
308.10287	1.0
309.11346	1.0
323.12927	2.2
325.10818	3.8
335.09210	1.2
341.13974	1.0
349.10706	1.0
353.10318	1.7
367.11801	1.2
368.12665	4.2
393.16983	1.0
396.12540	0.7
396.28766	0.7
406.14233	1.5
407.18665	4.4
421.16528	14.3
450.16589	0.7
465.19220	100.0
466.19519	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.8
64.88770	0.8
74.92091	0.6
78.39491	0.7
80.64333	0.7
92.63284	0.8
97.06608	3.0
98.20779	1.4
109.06616	1.2
119.05048	95.1
120.05412	2.7
121.03009	1.0
133.06607	0.9
143.05046	0.7
145.02942	1.9
147.04544	1.0
158.03773	0.7
159.04549	2.7
163.99750	0.8
173.06107	0.8
175.03914	0.8
175.07669	2.2
175.11311	5.0
177.01953	1.7
185.09755	1.0
186.03238	4.1
187.04012	1.0
188.04802	1.1
189.05408	1.4
191.03551	1.3
193.11995	0.7
201.05569	3.5
203.07253	1.3
205.05074	1.2
213.09259	1.1
213.12851	3.2
215.03560	0.8
229.08699	0.8
257.11884	3.5
275.12891	0.9
287.12918	16.4
288.13324	1.3
305.14063	4.0
307.10065	1.0
323.12961	2.9
325.10791	3.7
335.09271	3.5
341.14001	1.7
349.10815	1.4
367.69479	0.8
368.12442	1.8
377.17667	2.5
407.18686	100.0
408.19019	12.1
421.16714	1.7
447.13071	0.8
449.46112	0.8
465.19247	57.0
466.19467	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	465.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02412	5.9
65.00336	12.0
66.07883	0.7
69.92052	1.1
69.92371	3.6
70.64394	0.8
74.96308	0.9
75.94757	0.8
83.01389	6.9
91.01868	0.8
93.11871	0.8
97.06549	1.0
98.09720	0.7
107.01408	19.5
109.06518	1.5
109.99989	1.4
119.04287	0.7
119.05041	9.1
123.00848	0.9
133.06564	2.4
135.04445	0.9
137.99597	1.7
145.03032	0.7
151.00389	54.7
152.00673	1.9
154.23894	0.8
158.03683	0.8
162.18166	0.7
162.31288	0.8
163.00360	2.4
163.03912	1.8
165.01855	1.6
169.01405	2.8
175.07646	0.9
175.11311	8.9
177.01981	5.2
178.06288	1.5
185.02489	0.9
186.03271	5.6
191.03477	1.7
191.07170	1.4
200.12099	4.3
201.05577	4.8
201.12732	2.1
205.04982	2.4
219.06577	2.7
219.13939	1.1
229.16071	4.9
232.11072	9.6
233.11258	1.0
234.00418	0.9
234.05363	3.5
247.06226	0.8
255.17574	49.9
256.17902	4.4
260.83246	0.9
287.01724	0.7
325.07196	1.5
325.10870	2.0
335.09366	1.2
339.12363	3.0
353.10324	1.6
367.11844	12.7
368.12622	22.4
369.13000	2.1
407.18661	100.0
408.19022	13.5
421.16495	3.8
447.18127	2.4
465.14291	1.9
465.19266	38.8
466.19800	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	465.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	1.5
63.02388	2.1
65.00334	5.7
69.77048	5.0
88.77069	1.0
106.04234	1.1
109.06640	3.1
119.05035	7.0
126.09159	1.0
131.08676	1.1
132.05824	10.1
133.06607	15.5
149.06161	1.2
151.07686	6.5
161.09737	3.0
164.04784	9.1
175.07722	6.0
175.11307	8.7
176.01192	4.3
177.01869	2.0
186.03275	3.5
187.11296	41.3
188.11653	2.1
201.05646	3.2
207.10280	1.0
215.19586	1.0
219.06635	40.7
219.13966	2.5
220.07008	3.2
233.08087	2.3
237.07567	1.6
245.08218	2.8
280.24524	1.0
280.52344	1.1
325.10837	2.4
335.09311	1.2
368.12866	1.9
368.66132	1.0
376.70987	1.0
387.57739	1.0
407.18677	100.0
408.18979	13.0
421.16653	4.2
465.19269	35.2
466.19714	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	465.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
62.97647	0.6
63.02398	5.3
65.00337	14.1
69.76236	2.7
83.01394	7.0
106.04278	0.5
107.01408	21.8
119.05016	2.1
121.35287	0.5
121.42918	0.5
125.02445	1.9
141.98537	0.6
151.00388	61.1
152.00761	1.4
165.01952	2.4
169.01471	1.6
174.29810	0.5
175.11299	2.0
177.01941	2.9
186.03209	1.2
200.12100	6.1
201.05617	1.0
229.15936	2.9
232.11069	11.6
233.11530	1.0
255.17584	47.2
256.17929	4.3
267.10364	2.2
281.15616	1.3
297.18713	0.7
299.08490	0.6
321.18402	0.7
323.16486	3.4
368.40628	0.6
371.07724	0.6
407.18680	100.0
408.19058	12.1
421.16577	0.8
429.16742	1.5
465.14328	1.5
465.19516	12.0
466.19537	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.9
69.76781	2.9
71.01393	1.1
78.95913	15.5
79.51660	0.7
96.96028	0.9
96.96967	1.8
101.02480	0.9
105.03476	1.4
111.46981	0.7
117.03487	5.7
119.05040	90.1
120.05361	3.3
121.02983	1.0
135.00876	1.0
145.02942	2.2
149.02480	1.0
152.98395	1.4
152.99611	24.6
157.06564	1.5
161.02457	13.0
167.03601	1.1
169.06583	0.9
171.00690	0.7
179.03487	2.0
201.05556	0.8
208.05292	0.8
225.05640	1.1
239.07097	1.0
267.06641	16.7
268.07031	1.6
269.11835	7.0
270.12250	1.0
281.08215	12.0
287.12854	2.0
358.97534	1.5
359.96396	0.7
389.17633	4.0
407.18658	100.0
408.18997	11.3
429.02155	1.0
465.14529	2.3
465.22467	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	465.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
63.12939	0.5
69.70672	2.2
83.05024	1.9
93.03466	0.7
97.06615	0.9
99.53838	0.4
104.12273	0.4
106.04227	1.0
107.05064	1.4
108.02158	0.5
117.03491	0.7
118.19740	0.4
119.05042	70.9
120.05384	2.5
121.02973	0.7
121.06574	0.4
122.03680	0.5
130.04344	0.6
133.06575	0.4
136.01695	1.3
143.05045	1.4
144.05753	0.5
145.02966	2.2
145.06577	1.3
147.08148	1.3
149.02446	0.6
149.47754	0.4
151.00439	0.5
152.01154	0.5
157.06554	0.6
159.04506	0.9
159.08144	1.4
161.02480	1.9
162.03230	0.7
173.09663	2.3
175.07654	0.5
175.11320	1.8
177.01971	0.5
186.03198	0.6
187.04015	0.8
187.11261	0.6
188.04756	0.9
189.05615	0.7
194.02251	1.2
201.05580	1.3
203.07126	0.6
205.05135	0.5
216.07959	1.0
217.08720	0.8
225.12767	0.6
234.05675	0.5
241.12122	0.4
243.13911	4.9
267.06674	1.0
268.07449	0.5
269.11758	0.6
287.12921	28.3
288.13339	2.5
304.51434	0.5
305.13943	2.1
323.12805	0.8
325.10950	1.4
335.09308	0.7
365.17307	0.5
368.12564	0.8
379.19263	0.8
407.18661	100.0
408.19019	12.8
429.15778	1.0
465.13907	1.1
465.19263	15.4
466.19678	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	8.1
59.01386	100.0
60.50426	0.7
61.98827	1.7
63.02428	0.9
63.87600	0.8
65.00334	2.6
69.21816	8.0
69.76816	0.9
71.01393	11.8
73.02934	1.4
78.95903	1.7
81.03497	2.0
83.01402	4.9
85.02965	5.6
85.27100	0.8
89.02449	12.5
95.01434	2.3
95.05034	1.2
96.96016	8.2
96.96971	3.6
99.00883	1.4
99.04520	1.0
101.02458	7.5
105.03439	1.0
107.01395	6.6
109.02968	5.7
113.02462	6.5
118.34618	0.8
119.03539	4.9
121.03004	2.1
121.06555	1.0
123.04546	6.3
124.01678	1.3
125.02463	78.7
126.02796	2.4
133.02974	2.8
135.00906	1.0
137.02449	2.9
138.82237	0.9
139.04018	3.2
141.09204	1.3
143.03473	1.6
147.04590	2.2
149.02475	6.0
150.03214	1.0
151.00394	25.7
151.04005	5.5
152.01146	3.5
152.11234	0.8
153.01971	17.5
161.02461	1.8
161.04562	4.3
163.00363	5.4
167.03542	9.3
171.04509	0.9
173.06088	0.9
174.03220	1.8
175.04027	12.8
176.01166	4.5
177.00523	1.6
177.01945	19.5
178.99895	12.3
179.05649	3.8
180.00200	1.0
181.01425	2.4
182.39255	0.9
185.06180	1.0
188.04758	1.7
189.05556	3.2
191.03633	1.1
193.01419	2.7
197.04480	1.6
199.04001	6.7
201.02031	0.9
213.05580	2.4
214.21477	1.0
215.03600	1.6
217.05066	9.7
235.02493	1.6
241.05040	6.1
243.02863	1.4
243.15910	4.4
257.04590	2.8
259.06100	2.5
275.05630	8.1
276.29669	0.9
284.03149	1.5
285.04083	89.0
286.04446	6.0
303.05136	76.8
303.08002	1.6
304.05417	6.1
313.05563	1.4
341.05118	3.5
342.05777	1.3
344.73969	1.1
345.06180	4.4
345.09915	1.1
362.53006	0.9
376.35645	0.9
405.21344	14.7
447.09473	2.2
465.10300	3.6
465.16168	4.7
465.22351	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.8
59.01384	5.7
68.99844	0.7
69.82946	3.1
71.01390	1.7
71.05034	0.9
81.03465	13.5
83.01411	2.9
83.05071	0.6
85.02937	1.3
89.02445	1.2
95.01408	0.7
95.05045	7.5
97.02959	3.2
98.19814	0.7
99.04533	13.8
101.02455	0.7
108.02180	0.7
109.02953	6.8
111.04530	1.3
113.02464	1.4
121.02984	1.2
123.04547	8.4
124.01621	1.0
125.02464	30.5
126.02795	1.1
129.25655	0.7
133.02994	11.4
135.04456	0.8
137.02472	4.4
139.04031	3.9
140.15234	0.8
149.02463	1.5
151.04010	1.2
163.04012	1.6
165.01906	1.0
167.03516	100.0
168.03873	3.2
175.04007	1.3
177.01924	4.6
179.03491	2.8
181.05069	0.7
189.84041	0.7
191.03525	1.3
192.00671	0.9
193.01495	3.5
197.04576	18.9
198.04962	0.7
205.01460	1.0
207.03015	1.1
209.04550	2.0
227.05478	0.7
235.02502	17.7
236.02959	0.7
265.03549	4.0
287.07782	8.3
303.08774	3.4
327.05051	1.2
345.06195	26.2
346.06747	1.8
355.06677	1.6
375.07242	3.8
405.21420	1.8
465.09915	1.0
465.16071	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	465.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48065	0.9
53.71364	0.8
53.95599	0.8
57.03452	6.5
58.63120	0.8
59.01387	27.2
65.00340	3.6
69.55308	5.4
71.01395	9.4
83.01393	7.0
85.02962	2.5
87.33900	0.8
89.02451	10.0
95.01376	1.4
97.02985	1.8
101.02447	6.4
107.01395	6.9
109.02956	4.6
113.02462	4.8
119.03540	5.8
121.02968	2.0
122.03770	1.2
123.00928	1.1
123.04552	4.6
124.01726	1.3
125.02462	100.0
126.02799	2.3
133.02946	1.3
137.02455	4.7
139.04015	3.6
147.04510	1.0
149.02449	14.5
150.03177	1.1
150.99208	1.7
151.00391	27.9
151.04005	2.8
152.01074	3.1
153.01955	24.5
161.02492	1.6
161.04555	1.9
165.01953	2.7
167.03514	6.4
172.05202	1.4
174.03177	1.7
175.00369	3.8
175.04016	9.7
176.01067	0.9
177.01942	19.3
178.99879	19.5
179.05608	1.9
181.01442	12.6
188.04782	1.9
189.05539	3.6
191.03529	2.0
195.02974	2.7
197.04547	1.4
199.04037	5.9
201.01843	2.0
216.04175	1.5
217.05095	5.5
241.05121	4.8
243.15950	1.9
256.03452	0.9
257.04572	1.4
259.06070	3.9
275.05682	21.0
276.05975	1.8
284.03375	1.1
285.04077	56.0
286.04535	5.2
292.15790	1.0
299.05695	7.6
303.05151	74.0
304.05511	5.0
327.05194	1.2
341.05051	7.0
343.06760	6.4
405.21292	20.7
410.73181	1.0
437.10867	2.4
447.09186	3.5
465.10202	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	464.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23994	0.5
57.03447	0.5
59.01111	0.8
59.01387	11.4
60.01737	0.7
61.98838	100.0
69.26568	3.8
71.01387	3.0
73.02954	1.2
75.00880	0.8
78.91882	0.6
85.02958	2.0
87.00871	0.4
89.02457	2.2
93.18350	0.4
96.96019	0.6
98.35272	0.4
99.00835	0.6
101.02482	1.9
113.02473	2.2
119.03507	1.1
120.01252	1.2
125.02486	0.7
128.03586	0.8
144.04597	3.4
148.97543	0.4
153.09305	0.4
161.04715	2.3
162.05440	0.8
164.92870	0.4
167.03572	0.6
188.03575	1.1
191.04724	0.4
203.05884	5.8
204.06561	0.5
283.10980	0.7
284.11218	2.5
313.12027	0.5
325.12100	1.7
328.05829	0.5
334.10812	0.5
343.13010	6.7
344.05060	1.7
374.06189	0.8
404.20230	0.6
405.21063	2.5
464.09457	1.1
465.15582	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1038
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
53.14777	0.6
56.02842	0.8
57.03453	9.2
59.01386	6.4
61.98830	1.4
65.00338	1.6
69.31029	6.1
71.01390	4.5
72.99339	0.9
73.02953	1.7
75.00864	3.5
81.03488	1.6
83.01404	4.5
85.02963	6.1
85.73982	0.7
87.00871	1.2
89.02459	2.7
95.01399	2.0
95.05037	0.7
96.96045	1.3
98.19922	1.2
99.00835	0.7
101.02433	3.4
105.03487	1.2
107.01405	3.3
109.02962	19.2
110.03300	1.0
111.00925	0.8
113.02480	1.8
119.03478	0.9
121.03005	3.7
123.04541	3.2
124.01666	2.4
125.02464	100.0
126.02816	3.0
129.01950	1.0
132.02213	1.7
133.02975	91.3
134.03352	3.6
139.04086	1.1
142.24174	0.7
148.01573	0.9
149.02454	20.4
150.02914	1.2
151.00386	10.9
151.02872	0.6
151.04025	2.6
152.01190	4.6
153.01939	2.0
158.82664	0.7
161.04611	2.0
167.03532	5.8
175.04048	3.1
177.01949	46.2
178.02284	1.7
178.99940	2.4
185.11954	0.8
189.05524	1.6
191.01996	1.1
191.03546	0.9
193.01433	43.8
194.01758	1.5
199.04051	1.4
199.06308	0.8
209.02975	2.3
210.94275	0.7
217.03331	0.7
217.05029	3.8
229.14627	1.8
235.02469	1.4
241.05103	1.2
253.09222	0.9
257.04196	0.8
259.06174	3.0
275.05682	2.9
285.04095	29.8
286.04489	2.6
303.05136	17.8
304.05392	1.2
333.19165	1.9
353.23404	0.7
355.06720	2.5
414.88583	0.8
421.11237	0.7
437.10913	4.8
438.11349	0.7
447.09332	1.6
460.39935	0.7
465.10397	25.7
465.23172	2.6
466.10596	2.9
476.45108	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.1
57.56091	1.7
59.01387	100.0
61.98847	3.3
68.84398	1.7
70.76418	2.3
70.76762	4.6
71.01391	26.5
73.02954	3.7
73.75394	2.0
78.95902	22.0
85.02979	9.7
89.02464	15.2
95.01387	3.1
96.96975	2.6
97.06625	3.2
101.02472	13.4
106.26773	2.0
107.81779	1.7
111.08170	8.2
113.02469	20.5
119.03510	6.2
121.92536	1.9
146.05952	1.9
152.98392	2.6
152.99606	35.8
161.04567	6.9
163.11188	2.4
165.12866	56.5
166.13220	2.2
174.99188	2.2
179.05620	7.7
197.15529	25.3
198.15752	2.4
209.11839	11.9
223.13463	2.6
227.12912	3.8
241.14478	48.8
242.14777	2.7
265.14462	27.6
283.15454	3.4
295.15549	5.9
300.02795	2.0
301.03400	2.8
463.20547	3.5
463.26102	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	463.3435
Annotation	Castasterone
Peak:m/z	Relative Intensity
59.01391	2.0
69.06590	0.8
69.24161	0.6
70.54011	0.7
70.76266	2.0
75.39419	0.6
82.91259	0.7
123.04541	6.1
125.26074	0.7
135.04541	2.3
136.05330	5.4
137.06046	0.8
143.52791	0.8
151.07666	42.4
152.07990	1.5
163.04041	2.0
164.04816	2.5
178.03406	0.7
178.06343	1.0
179.07158	37.4
180.07416	1.7
244.58519	0.9
261.01053	0.7
262.43784	0.7
343.28958	0.9
435.34915	6.0
445.33408	1.3
463.34348	100.0
464.34607	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	463.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.8
96.96016	1.8
100.58107	0.9
110.71934	0.9
122.03713	1.0
123.04564	4.9
135.04547	1.8
136.05319	7.2
149.58551	0.8
151.07663	48.4
152.07996	1.3
163.04005	2.0
164.04808	4.0
178.06438	1.1
179.07155	44.6
180.07481	1.7
187.11308	1.5
209.02017	1.1
405.21164	0.9
435.34741	7.5
436.35263	1.3
438.73761	1.0
445.33087	1.9
463.34335	100.0
464.34576	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	463.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.8
59.01386	100.0
60.01711	1.0
61.98830	2.2
69.48627	4.2
69.49036	1.1
71.01388	6.2
73.02942	1.6
77.86803	0.8
78.95915	1.7
85.02969	3.3
89.02461	2.0
90.13915	0.7
95.96402	0.9
97.06607	0.7
101.02446	5.2
101.36447	0.7
111.08166	4.8
113.02469	5.0
119.03507	1.8
143.03587	1.0
152.99585	1.5
154.93124	0.7
161.04637	2.4
165.12859	70.4
166.13243	2.6
178.13097	0.7
191.10883	1.3
209.11829	10.6
217.00381	1.3
219.95604	0.8
223.13512	0.9
227.12920	13.4
228.13260	1.3
241.14514	11.7
242.14803	0.9
251.12900	0.8
283.15494	1.2
284.03497	0.9
331.21429	1.1
463.09418	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.1
57.03453	14.0
59.01388	100.0
60.99307	2.1
71.01389	41.3
71.09429	4.1
71.09760	3.0
72.99306	5.2
73.02948	19.5
75.00878	3.3
76.91922	2.0
83.01398	6.7
85.02951	16.5
89.02452	15.2
91.01920	3.1
93.03456	2.0
95.01382	4.6
97.02979	4.7
98.03783	2.7
99.00919	4.6
99.04526	4.6
101.02457	33.1
109.02937	4.7
113.02458	22.4
113.06094	6.8
115.04055	3.4
119.03542	4.3
121.02978	4.4
123.08174	4.9
125.02448	4.9
125.06078	2.4
127.07654	2.8
132.43619	1.9
133.02954	5.6
135.00928	2.4
137.09679	4.0
140.17749	2.2
141.09280	10.4
143.03491	4.9
149.02417	5.6
151.11369	3.1
153.01927	2.5
153.09183	5.8
159.02959	3.3
159.47963	2.1
161.04567	46.7
163.00371	3.3
163.11305	3.1
165.05605	2.4
165.09227	17.1
167.03479	2.5
167.10747	3.5
175.07689	4.2
177.01894	3.0
177.12871	14.5
179.05609	3.7
179.10789	6.3
181.08734	4.8
187.11255	7.4
205.12338	24.9
209.11809	10.3
221.11746	2.6
223.13406	61.3
224.13533	3.6
227.03304	2.3
241.14468	5.1
269.04514	4.3
283.06104	2.0
283.15521	6.1
297.04010	7.7
299.05508	5.1
300.02786	18.3
301.03525	16.6
301.07144	6.1
313.03329	3.2
315.04849	2.1
325.16464	2.3
343.04550	24.3
344.05026	3.5
373.05627	4.1
403.19714	18.4
445.07632	5.8
463.02655	3.6
463.08746	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.6
57.86060	0.4
59.01390	7.1
69.03501	0.5
69.53253	2.9
71.01391	4.1
72.99307	0.6
73.02952	0.9
79.78018	0.4
83.01418	0.7
85.02968	1.8
87.00936	0.5
89.02465	3.3
95.01405	0.6
99.00905	0.4
99.07189	0.4
101.02448	3.1
111.08165	0.9
113.02451	2.1
119.03536	1.0
125.10255	0.4
131.46173	0.4
133.05128	0.4
134.50485	0.4
143.03490	0.6
143.72868	0.4
161.04605	1.5
165.11557	0.4
165.12874	7.7
179.05716	0.4
183.13918	100.0
184.14230	5.6
209.11848	1.6
227.12889	10.6
228.13170	0.6
235.08252	1.4
249.06482	0.4
253.09279	5.6
276.90030	0.4
283.19064	0.5
301.16400	0.4
358.86877	0.5
441.02448	0.4
445.20627	0.6
463.21829	56.8
464.22086	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99474	0.6
55.01874	0.9
57.01006	0.6
57.03455	0.9
59.01110	1.2
59.01387	13.3
61.98832	2.1
71.01394	11.7
72.99311	0.8
73.02966	3.4
75.00882	2.1
75.49355	0.6
80.02692	0.6
81.03468	1.3
83.01398	2.2
83.05031	4.3
84.02145	0.6
85.02953	6.0
87.00877	1.2
89.02457	5.6
95.01421	1.0
95.05087	0.7
96.95979	0.7
97.06583	0.6
99.00911	1.8
101.02457	8.5
104.16459	0.6
107.01423	0.8
109.06570	0.9
111.00949	0.8
113.02465	4.5
119.03522	1.5
121.02945	0.7
125.02462	2.0
125.05959	0.8
129.01967	1.1
132.30124	0.7
134.03728	0.6
135.08134	0.7
137.02425	1.0
143.03510	0.9
147.04561	0.7
149.02509	1.5
149.06204	0.8
151.00453	1.7
152.01088	0.7
161.04585	4.3
163.11336	3.2
165.02069	0.7
165.12843	2.9
183.70793	0.6
193.01468	0.7
194.43439	0.6
199.13451	1.7
204.11584	2.1
209.11859	100.0
210.12192	6.2
213.09358	0.8
219.13861	1.6
223.04561	0.9
227.12918	18.7
228.13168	1.7
253.09315	11.9
255.03154	0.9
257.08179	1.3
263.12909	8.3
264.13208	1.0
271.02411	0.9
283.77222	0.7
285.03928	0.7
289.07214	4.8
297.04019	1.5
298.04773	9.2
299.05084	9.9
300.02676	2.1
300.05502	16.3
301.03491	2.1
301.06903	0.7
313.07053	1.1
314.07513	1.5
315.07782	2.5
317.06683	1.0
327.04382	0.8
328.04858	1.6
331.17606	2.7
341.06604	6.5
342.07065	5.8
343.07318	23.6
344.07544	1.5
373.08426	1.0
403.19769	1.7
420.26035	6.6
458.11267	0.7
463.11911	13.1
463.21432	7.5
464.09427	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18304	0.7
55.01887	4.9
57.03454	4.3
58.00623	1.0
59.01390	31.1
61.98817	0.8
68.99845	0.6
69.03450	2.0
69.30099	5.0
71.01390	70.6
72.01741	1.1
72.99308	1.7
73.02956	27.5
75.00876	1.7
81.03484	0.8
83.01398	9.9
83.18721	0.5
85.02962	30.3
87.00893	3.3
89.01942	1.0
89.02460	15.3
95.01403	4.6
97.02953	2.5
99.00894	11.8
101.02458	43.6
102.02796	1.2
111.00889	1.5
113.02468	26.9
115.04018	2.2
119.03505	2.1
125.02472	4.0
131.03523	3.8
137.62671	0.5
143.03505	3.5
149.04533	3.2
155.10783	2.5
159.03026	6.9
161.04578	39.6
162.04919	0.9
163.11264	0.7
167.96251	0.6
183.01093	0.6
191.05554	0.8
199.09740	0.7
204.90555	0.6
205.03551	1.0
209.11855	19.6
210.12213	0.7
227.12891	2.9
233.06644	2.7
241.05095	1.9
253.09326	2.7
257.08231	1.4
286.95709	0.7
293.08887	1.4
300.02579	0.8
301.03391	1.6
301.07129	3.0
331.17657	37.5
332.18079	2.8
373.18631	0.8
463.21854	100.0
464.22205	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	463.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45446	0.2
55.01883	0.6
57.03458	0.6
58.00606	0.3
59.01392	9.7
67.85687	0.3
69.03485	0.3
70.92461	0.3
71.01395	6.1
71.32010	0.5
72.99345	0.5
73.02952	1.5
74.26771	0.3
83.01417	1.1
85.02963	2.2
87.00898	0.8
89.02457	4.9
91.04043	0.3
95.01441	0.6
97.06629	0.3
99.00931	0.5
101.02461	6.2
109.49084	0.3
111.08192	0.8
113.02470	3.0
115.04043	0.4
115.08337	0.3
119.03518	1.3
133.05132	0.4
161.04594	2.0
164.25845	0.3
165.12872	8.7
166.13245	0.3
179.05688	0.6
181.12482	0.3
183.13919	100.0
184.14261	5.3
209.11821	2.1
227.12903	9.4
228.13266	0.5
235.08315	1.3
253.09326	9.9
432.60535	0.4
445.20560	0.5
463.21793	58.5
464.22177	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	463.104
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
62.63459	0.8
63.02393	1.7
65.00320	1.8
65.07822	1.0
70.85342	2.7
73.67416	1.0
83.01413	1.2
91.30526	1.0
106.33447	0.9
107.01408	3.6
125.02478	1.3
133.02962	10.5
142.02728	0.9
149.02454	2.4
151.00383	9.4
175.03996	2.9
183.04530	2.3
187.04135	1.4
199.04044	4.1
211.04079	1.6
217.05070	1.4
227.03537	3.9
241.04918	1.3
255.03009	82.1
256.03769	41.3
257.04306	2.3
283.02509	100.0
284.03278	98.0
285.04050	85.8
286.04373	5.8
326.04327	1.3
380.68091	1.1
422.33371	0.9
433.08951	1.2
445.09192	3.9
463.10373	14.5
464.10727	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1098
Annotation	Mudanoside B
Peak:m/z	Relative Intensity
59.01372	2.5
64.25516	0.7
68.15101	0.7
69.03461	1.1
69.57417	4.5
71.01400	1.7
81.03413	0.9
82.54504	0.6
85.02973	1.6
95.01389	0.9
97.02982	0.8
123.00912	7.6
124.01678	23.1
125.02473	20.8
129.16249	0.8
149.99602	34.5
151.00282	1.8
167.03438	1.0
168.00661	87.3
169.01308	4.0
179.03456	1.0
181.13197	0.8
287.07700	0.9
331.06592	3.9
388.03940	0.7
419.11874	0.7
435.25946	0.8
463.10968	100.0
464.11301	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	463.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	5.2
55.69463	1.7
56.06314	1.9
57.03455	21.1
59.01388	88.7
66.06247	1.7
70.81995	3.8
71.01394	51.3
72.99331	2.2
73.02959	22.5
83.01401	8.6
85.02962	20.8
85.80408	2.1
89.02467	10.8
95.01413	4.2
95.05083	2.1
97.02967	2.0
99.00904	6.9
99.04542	5.2
101.02460	36.8
113.02467	22.4
113.06095	12.0
121.02974	3.6
123.08194	4.0
125.02472	2.8
135.08206	2.1
137.09741	10.1
139.07675	2.1
141.09245	11.3
143.03537	3.3
147.08215	2.5
150.06941	1.9
151.00362	5.0
151.07590	1.8
153.09245	11.0
159.03029	6.6
159.85718	1.7
161.04570	46.6
161.09830	1.7
162.04881	2.2
163.11340	5.1
165.09230	19.2
169.08667	2.0
177.12820	5.4
178.99899	2.9
179.10782	3.2
187.11327	9.0
193.12404	3.0
196.25436	1.7
200.10057	1.7
205.12338	32.4
206.12715	2.5
208.11087	2.4
210.04515	1.5
220.21989	1.8
223.13419	100.0
224.13762	7.6
227.12953	2.5
241.14479	16.1
257.26395	1.7
300.02835	4.2
301.03403	12.8
343.04523	3.2
403.19730	32.3
404.20096	2.7
445.07892	3.1
463.08789	23.5
463.21826	5.3
464.09528	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	463.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
59.01382	9.3
61.98820	1.5
63.02407	1.7
71.01382	4.7
71.54771	1.3
73.02951	3.0
78.95918	13.2
83.01382	3.0
85.02972	3.3
87.00893	1.4
89.02467	2.1
96.96013	1.4
96.96970	1.5
101.02473	3.9
107.01391	2.2
113.02468	3.2
132.02176	1.2
133.02988	6.9
151.00412	8.2
151.07687	1.2
152.99599	18.0
161.04616	2.6
165.97287	1.1
167.66612	1.1
175.04063	2.7
183.04568	2.6
199.04045	2.5
209.11908	4.0
211.04065	1.6
217.00328	3.2
217.04944	1.9
227.03506	3.4
227.12927	1.5
242.12648	1.1
255.03004	56.5
256.03751	39.5
257.04282	3.4
283.02502	73.2
284.03268	100.0
285.04034	65.2
286.04431	4.1
300.02902	2.0
331.21378	6.0
433.09384	3.9
445.09125	5.9
463.10342	11.5
463.20734	3.0
463.25623	4.9
463.31924	2.0
464.10953	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1039
Annotation	Isohydnocarpin
Peak:m/z	Relative Intensity
52.18915	1.3
58.91585	1.5
59.01118	2.1
59.01384	26.1
61.98838	24.6
64.27615	1.3
65.00319	2.0
71.01392	6.7
71.54973	1.9
72.99316	1.7
73.02960	2.3
73.75884	1.3
74.02476	3.7
74.38239	1.5
83.01390	2.8
85.02965	3.5
89.02450	4.9
101.02435	3.4
102.12158	1.3
107.01368	4.2
113.02467	3.6
116.92883	2.8
125.02454	2.5
129.01929	1.4
137.02518	1.4
145.02972	1.5
149.02438	3.0
151.00392	14.5
151.07619	1.3
161.02419	3.8
161.37779	1.3
209.06206	1.7
209.11769	1.8
210.86687	1.4
224.68607	1.3
235.13417	2.3
237.05609	1.9
249.05786	1.8
255.03015	2.4
256.03769	3.1
262.06458	2.2
265.14420	5.2
266.05832	3.4
266.53479	1.3
269.04480	2.8
270.05438	2.8
278.05835	1.9
279.06403	2.3
283.02441	1.6
284.03094	5.5
285.03964	7.8
294.08450	1.3
297.03998	6.6
298.04721	5.4
299.05310	1.7
300.02762	2.1
301.03714	2.0
301.20206	3.8
304.84628	1.7
309.04114	1.8
327.05115	3.2
357.07474	4.5
361.07065	5.9
372.05865	2.0
373.06873	7.1
374.07999	15.2
377.06656	1.6
385.07147	10.6
386.07819	2.4
390.07379	2.8
400.06125	1.6
401.06656	10.4
402.07388	12.6
406.06998	1.5
413.06836	8.2
414.07483	48.1
415.08127	12.7
417.06393	7.0
418.06921	39.3
418.12573	2.1
419.07245	6.2
429.06290	3.8
430.06985	22.7
431.06992	3.3
433.09305	69.4
434.09714	9.9
436.69028	1.4
444.29004	1.6
445.09314	100.0
446.09476	12.0
463.10410	40.3
463.20706	1.6
463.28336	1.6
464.10547	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	463.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
55.33499	0.5
57.03457	1.2
58.00608	2.7
59.01387	15.1
60.00784	0.6
60.56947	0.5
60.57575	0.5
61.98848	0.8
65.00333	1.3
69.03433	0.8
69.17139	1.9
69.17561	3.2
71.01388	9.1
72.99319	0.9
73.02951	3.6
75.00880	2.5
79.01914	1.0
81.03467	1.7
83.01401	2.3
85.02961	4.5
87.00887	0.7
89.02460	2.6
93.03461	1.5
95.01404	1.8
97.02953	2.7
99.00893	1.9
99.04550	1.3
101.02448	5.0
105.03493	1.1
107.01395	2.5
109.02967	2.0
111.00900	1.5
113.02456	5.2
114.63354	0.6
117.03489	0.6
119.01453	0.6
119.03484	1.3
119.05006	0.7
121.02961	6.5
123.00876	1.0
123.04542	1.9
124.07681	0.5
125.02465	7.9
133.02980	1.1
135.00900	0.6
136.01689	0.8
137.02435	4.8
139.03999	0.8
145.02972	0.9
146.06137	1.5
147.00845	1.2
147.04575	1.1
148.07671	0.7
149.02458	27.6
150.03224	2.5
151.00377	4.0
151.04056	3.8
159.03116	0.6
159.04585	0.5
161.02486	1.1
161.04646	4.0
163.00406	4.0
163.04012	1.9
164.01147	0.7
165.01944	8.7
165.05609	1.5
166.02379	0.7
167.03517	2.4
167.05902	0.8
169.13542	0.7
172.06171	0.5
173.02405	0.6
175.00389	1.6
176.01175	0.8
177.01924	2.6
179.03471	2.4
179.05745	0.7
179.10773	0.5
187.03963	1.0
189.01923	1.5
190.99898	1.4
191.03496	4.4
193.01424	12.4
194.01845	1.2
196.07387	0.6
203.03526	0.8
204.06644	1.1
205.01399	1.2
205.07439	0.5
209.11836	2.2
211.03947	0.7
213.12485	4.3
214.02660	0.6
215.03529	2.6
217.01479	2.1
217.96332	0.6
219.03024	1.0
223.02448	1.0
225.05623	0.6
227.03529	1.2
229.05070	1.0
231.03183	0.6
233.04561	0.7
241.05023	1.5
241.14378	1.1
243.02968	0.9
249.06258	2.4
251.03549	0.6
253.05058	1.2
255.02963	0.8
256.03781	1.3
257.04449	1.3
259.02396	0.8
267.02927	0.7
269.04568	1.6
270.05423	0.7
271.02518	0.9
271.06113	1.5
271.14563	1.6
273.03818	0.8
283.10797	3.9
285.04105	1.5
286.04352	0.5
297.04102	1.1
299.05551	1.3
299.14157	1.0
300.02811	3.5
301.03580	6.6
302.03833	0.6
311.48340	0.6
313.03555	10.7
314.04309	6.4
315.05087	5.5
316.05310	0.5
327.05081	1.4
329.15195	2.9
341.02917	1.2
343.04605	100.0
344.04938	9.2
355.04608	2.2
355.12872	0.6
373.05682	34.9
373.13794	12.4
374.06021	4.4
374.14398	1.4
385.05762	3.9
385.14014	2.1
386.06296	0.6
403.15082	1.0
403.19687	11.2
404.19879	1.0
409.05734	2.7
409.13885	0.6
415.07260	0.8
415.13934	0.6
427.06677	1.2
427.14819	0.5
463.08859	28.0
463.18396	8.5
464.09253	2.7
464.19580	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.8
61.98827	0.8
63.02409	0.6
65.00340	2.5
71.01396	3.4
71.53784	0.7
73.02979	0.8
83.01416	1.1
85.02957	1.6
89.02457	3.4
91.01881	0.9
91.41640	0.6
93.03483	1.1
99.00902	1.0
101.02473	2.7
107.01410	3.8
108.02174	1.8
109.02989	2.5
113.02484	1.6
115.28727	0.7
121.02967	3.0
125.02464	1.3
131.03551	0.8
133.02985	0.8
135.00909	0.8
148.01688	1.6
149.02431	0.8
149.04646	0.7
150.42256	0.7
151.00392	14.4
151.03990	0.9
161.04549	1.6
163.00371	3.6
164.01215	1.2
165.01982	1.4
165.71707	0.6
167.04817	0.6
178.99876	5.8
187.04031	0.8
191.05620	0.7
193.01367	1.4
199.04019	1.6
203.03488	0.8
211.04024	1.7
215.03577	1.3
216.04143	0.9
221.00957	0.8
226.02744	2.3
227.03506	4.0
243.03001	13.1
244.03546	1.2
245.04472	1.3
254.02180	2.3
255.03001	26.0
256.03412	2.2
257.04681	0.8
271.02505	65.0
272.02988	6.4
273.04031	1.5
283.02554	1.8
299.02029	1.6
300.02783	100.0
301.03525	67.0
301.06409	1.0
302.03958	5.7
331.17639	1.4
343.04593	1.8
343.08246	1.0
373.09302	1.4
463.08838	78.6
463.21976	2.0
464.09253	10.1
471.02631	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48136	0.8
57.03457	1.9
59.01389	40.4
59.76047	0.8
66.10601	0.9
69.59216	6.4
71.01386	19.6
72.99316	1.5
73.02962	2.3
75.00890	2.9
81.03471	1.2
83.01377	1.5
85.02963	3.8
87.00890	25.7
89.02448	5.3
95.05066	1.2
96.96054	1.4
99.00911	0.8
101.02468	3.9
109.02954	2.7
113.02454	3.8
115.00389	45.3
119.03545	1.7
121.02966	1.1
123.04550	1.8
125.02464	16.0
127.00370	1.0
133.02956	1.3
135.03032	5.0
137.02432	2.1
138.09482	0.9
148.01683	2.7
149.02437	3.4
151.00362	2.4
151.04054	1.7
159.04713	0.9
161.02434	2.4
161.04543	1.9
163.00325	1.6
165.01942	2.5
174.01709	1.0
175.02499	100.0
176.01244	1.4
176.02861	3.2
177.01915	5.1
178.02681	2.0
179.03448	2.2
179.05571	1.8
193.01324	2.2
195.02913	1.1
202.99878	1.8
204.00604	2.7
205.01547	1.7
205.12401	1.7
217.05229	1.0
217.39459	0.9
223.13408	1.7
236.33926	1.1
243.02899	0.9
283.06189	1.3
287.05643	1.3
289.07208	3.6
301.03705	1.2
327.05173	13.2
328.05591	1.5
341.05347	1.3
343.04779	1.1
345.06274	1.6
361.25525	1.0
373.05444	1.1
373.14227	1.6
382.55396	1.0
403.19742	1.2
463.08920	1.1
472.10687	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74250	0.5
55.01870	0.6
57.03432	1.2
58.00588	1.7
59.01386	20.6
61.98832	2.8
65.00330	1.2
68.99854	0.7
69.03453	1.0
69.56012	1.0
69.56416	2.9
71.01393	8.4
72.99306	0.5
73.02943	3.7
75.00871	3.2
79.01924	1.1
81.03493	0.9
83.01403	1.8
83.05032	0.7
85.02965	4.9
87.00893	0.9
89.02458	6.3
89.03947	0.6
93.03464	2.1
95.01395	2.2
97.02950	1.8
98.19888	0.7
99.00866	1.9
99.04529	0.9
101.02441	4.7
107.01400	1.7
107.04998	0.8
108.02190	0.6
109.02962	1.8
111.00880	0.8
113.02470	5.6
117.01911	1.0
119.01431	1.0
119.03484	1.6
119.05002	0.9
121.02965	7.5
123.00869	1.8
123.04534	2.2
125.02472	6.0
133.03011	1.0
135.00937	0.6
135.04535	1.4
136.01645	0.6
137.02475	5.2
137.57912	0.6
139.04019	1.0
143.05031	0.7
144.04572	0.9
146.06155	1.8
147.00868	0.8
147.03157	0.6
147.04503	1.0
148.07738	0.6
149.02458	28.5
150.03194	1.5
151.00388	3.6
151.04045	4.6
161.02428	1.7
161.04729	6.8
162.05548	1.2
163.00357	4.7
163.04079	1.1
164.01074	1.0
165.01958	5.5
165.05597	0.8
167.03531	3.3
167.05948	0.8
170.11934	0.9
173.02509	0.8
173.06367	0.7
174.05632	0.9
175.00397	1.4
175.04042	0.9
176.01193	1.0
177.01920	2.4
179.03462	3.5
179.05664	1.7
189.01973	1.6
189.04259	0.6
190.99902	0.7
191.03531	5.2
192.00827	0.7
192.02933	0.8
193.01443	11.5
193.03757	1.8
194.01831	0.8
195.03046	0.7
197.11676	0.7
203.03618	1.4
203.05881	1.0
204.06654	1.5
205.01457	1.0
205.07269	0.8
205.12222	0.6
207.05530	0.6
209.11832	2.1
213.12471	4.9
213.56435	0.6
215.03474	2.4
217.01364	2.0
219.03040	1.1
223.02496	0.9
223.13448	0.8
227.03516	0.7
229.05098	1.3
237.06450	0.8
237.49860	0.7
239.03523	0.9
241.05148	1.5
241.14485	1.4
243.03012	1.0
249.06178	2.8
253.05107	0.6
255.02963	1.1
257.04544	2.2
259.02469	0.7
267.07233	2.3
269.04605	1.0
271.06152	2.1
271.14569	2.1
272.06229	0.6
283.10904	13.6
284.11255	0.8
285.03995	1.7
297.04016	1.9
299.05676	1.0
299.14020	1.0
300.02881	4.1
301.03537	8.0
301.07251	2.3
313.03580	11.4
313.11823	0.8
314.04279	7.2
315.05093	7.4
327.05154	2.6
329.15067	3.4
341.03027	0.8
343.04611	100.0
343.12872	2.8
344.05032	8.6
355.04916	2.8
373.05713	37.5
373.13876	17.1
374.06097	2.7
374.14334	1.4
375.16989	0.6
385.05692	4.1
385.13733	0.9
403.15109	1.8
403.19809	6.8
409.05624	3.2
427.15002	0.9
445.07733	1.4
449.81284	0.7
463.08868	27.2
463.18338	14.8
464.09180	3.1
464.17847	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0891
Annotation	3,5,7,2',6'-Pentahydroxyflavone 2'-glucoside
Peak:m/z	Relative Intensity
57.03371	0.4
59.01281	5.1
59.01618	1.3
59.65522	0.3
61.98758	0.3
63.02316	0.5
65.00231	1.4
65.00594	0.5
68.20444	0.3
70.11954	0.2
70.37141	0.7
71.01274	2.8
72.99229	0.7
73.02852	0.8
73.03217	0.3
75.00802	0.5
79.01881	0.3
83.01262	1.1
83.01733	0.5
83.54681	0.3
85.02840	1.9
87.00800	0.4
89.02344	1.3
95.01281	0.4
97.02871	0.3
98.20022	0.3
99.00805	0.6
101.02338	2.0
107.01270	3.5
108.02084	0.9
110.34158	0.3
111.07066	0.4
113.02316	1.1
119.03462	0.4
123.04450	0.5
125.02420	0.6
129.01816	0.3
134.03767	2.0
135.04428	0.5
136.01582	0.5
137.54361	0.3
149.02457	10.1
149.06154	1.8
150.02754	0.5
151.00386	9.7
161.04449	0.3
164.01059	0.9
165.01852	0.4
165.12776	0.6
167.03424	0.3
177.01961	0.7
183.04378	0.4
183.12502	0.3
183.13922	4.9
187.03870	0.4
191.01982	0.6
191.03438	2.1
199.04016	0.4
209.11761	0.9
211.03999	0.4
215.03499	1.1
217.05081	0.4
227.03514	0.6
227.12866	1.2
229.05115	0.3
233.04503	0.7
239.03429	0.8
253.09247	0.6
255.02933	1.4
256.03293	0.6
257.04050	0.8
283.02490	0.8
283.19217	0.6
284.03082	0.5
285.03238	0.4
299.05170	0.4
300.02844	1.8
301.03616	100.0
301.07196	13.1
301.20273	0.9
302.03979	8.2
302.07617	1.3
344.20560	0.3
445.24719	0.6
463.09598	1.9
463.13095	2.2
463.25983	15.1
464.26569	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
60.01714	0.7
66.44296	0.6
68.90025	0.5
71.01385	4.5
71.02167	0.5
71.31812	1.1
73.02961	2.5
75.00886	1.7
83.01432	0.6
85.02972	3.1
89.02450	5.8
90.28228	0.5
99.00893	1.1
101.02445	3.5
109.02966	0.5
113.02483	1.7
119.03530	0.7
128.03658	0.6
135.04646	0.5
136.80290	0.5
149.04602	2.0
161.04614	1.6
179.05721	0.8
194.89302	0.5
225.11395	1.1
271.02521	0.7
329.16156	0.6
341.02872	0.9
359.17200	1.0
401.17914	0.7
439.91705	0.9
461.06848	1.0
461.10730	1.0
461.20657	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70489	10.2
59.01376	13.6
63.96941	8.7
69.17457	100.0
89.91873	8.3
93.55975	10.2
95.48494	9.2
122.79590	9.9
145.02995	15.0
165.22675	10.5
169.66246	10.7
268.00897	9.1
461.11130	11.4
461.18884	14.1
461.25479	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03994	0.4
55.06335	0.5
59.01384	7.1
60.93568	0.5
61.98838	0.9
63.02411	0.6
63.50075	0.4
65.00338	1.2
71.01389	1.9
73.02953	0.5
83.01379	1.1
85.02963	1.1
87.00912	0.6
87.04549	0.4
89.02477	1.4
92.10013	0.5
96.96019	1.6
97.02945	0.8
101.02470	1.5
107.01384	2.2
109.02966	0.8
113.02457	1.0
121.03001	2.3
125.02457	1.5
137.02438	1.0
145.02879	0.4
147.00998	0.5
148.01686	0.8
149.02460	6.5
149.99571	0.6
150.03215	1.8
151.00403	5.1
161.02469	0.5
161.04626	0.9
163.00378	1.0
164.01215	0.5
165.01947	1.5
177.01999	0.9
190.02785	0.6
191.03532	1.5
193.01443	3.0
203.03413	0.9
205.01424	0.7
209.11816	2.1
209.76460	0.5
211.04089	0.6
215.03494	1.8
221.00917	1.5
223.02615	0.6
227.03548	0.5
227.12917	0.5
239.03542	0.8
241.05118	0.6
243.02930	1.1
255.03113	1.0
256.03735	0.6
271.02548	1.9
272.03311	7.5
273.03723	0.6
285.74490	0.5
297.04272	0.6
299.05365	0.5
300.02777	80.3
301.03522	58.7
301.06354	1.0
302.03949	4.1
313.03574	1.3
314.04443	0.6
315.05130	2.3
331.17627	0.8
343.04602	15.7
344.04855	1.1
355.04773	0.9
373.05707	3.0
403.19821	0.7
463.08853	100.0
464.02371	0.6
464.09134	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	461.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14900	3.0
52.42340	3.3
57.03451	10.8
59.01384	100.0
62.17189	3.0
64.35294	2.6
69.81987	12.7
71.01394	45.1
72.99316	4.2
73.02987	5.1
83.05049	6.8
85.02973	15.2
87.00926	3.1
89.02457	57.7
93.03446	3.5
95.01452	2.8
96.96018	4.5
98.20581	5.8
99.04527	9.5
101.02457	31.1
113.02477	19.0
119.03510	20.9
123.04559	3.2
125.02478	4.4
137.02452	4.3
137.06094	5.7
143.03502	7.2
161.04555	9.0
163.07686	4.3
167.03560	8.8
179.05585	14.3
181.05206	3.2
189.34550	2.7
195.06496	4.2
203.10741	3.9
221.11862	8.6
343.13904	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79361	1.2
55.01891	1.9
57.03479	1.2
58.00607	2.4
59.01387	76.2
61.98840	2.6
69.03461	5.3
69.53839	8.4
71.01389	64.5
72.13998	1.4
72.99312	3.0
73.02960	15.4
75.00870	1.8
81.03474	4.6
83.01406	3.9
85.02947	10.2
87.00901	2.2
88.98817	1.8
89.02456	100.0
90.02789	2.1
95.01368	1.7
97.02965	9.8
98.20589	3.2
99.00899	20.6
99.34165	1.3
101.02459	29.8
105.17603	1.6
111.00946	1.4
113.02461	7.5
115.04025	5.2
119.03535	1.6
125.02470	32.3
131.03539	10.8
143.03494	4.1
143.77020	1.4
149.04581	32.9
155.41879	1.4
161.04561	4.5
167.10773	17.5
191.05647	12.4
191.10774	2.6
202.60750	1.5
209.11859	4.3
211.19655	1.3
221.11877	1.9
233.06671	19.2
239.12918	2.2
293.08774	25.7
294.09198	1.8
423.22229	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	461.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
57.03458	20.2
58.00609	0.8
59.01387	80.4
60.01723	0.9
65.75726	0.8
71.01389	15.2
71.54002	0.8
72.99317	2.2
73.02953	2.2
75.00872	0.8
78.95921	0.8
81.03469	6.7
81.15888	0.9
83.01376	3.9
85.02966	13.8
87.00903	2.5
89.02455	14.4
95.01370	0.9
96.96024	5.8
96.96986	1.9
99.00896	1.6
99.04531	10.6
101.02452	13.7
111.04470	0.9
113.02462	6.7
119.03502	5.8
119.05020	0.8
123.04543	29.7
124.04884	1.2
125.02457	10.7
131.03519	1.3
135.04530	1.0
137.06126	1.3
143.03532	1.5
149.02434	1.4
149.04546	0.8
149.09735	3.0
150.03169	0.8
151.00340	1.7
151.04115	0.7
153.01999	1.0
161.00990	0.9
161.04561	6.1
163.11220	0.8
165.01910	4.1
165.09137	0.8
166.02663	0.7
167.03516	100.0
168.03857	5.2
179.05656	3.6
180.04283	3.4
183.06641	7.3
191.01976	1.0
191.03555	1.1
193.57608	0.8
195.06677	10.9
203.10840	5.0
209.04550	4.6
221.11850	5.4
225.11243	3.7
239.05626	1.1
239.12854	2.3
243.08748	2.7
297.04355	0.8
315.14383	1.9
399.16556	1.4
401.18359	1.7
461.12796	13.1
462.12717	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1974
Annotation	Allanxanthone B
Peak:m/z	Relative Intensity
65.00323	1.8
65.03975	0.9
67.01896	3.5
68.84138	0.6
68.99818	1.5
69.03456	1.1
75.95615	0.4
77.01200	0.5
83.01384	1.0
89.03959	1.9
91.01908	4.9
93.03460	2.4
95.01397	20.1
100.71530	0.5
107.05032	1.4
109.02966	8.6
117.03464	1.8
119.01394	3.5
121.02967	0.8
133.02975	12.1
135.00916	0.9
135.04523	1.9
137.02438	4.8
149.02489	1.3
151.04028	1.7
161.02399	3.2
163.00330	0.8
164.04771	0.6
177.01959	27.5
178.02261	1.7
179.03510	1.7
187.11342	1.0
191.03532	1.7
191.76582	0.5
198.30734	0.5
200.12180	3.0
205.01442	30.3
206.01764	1.6
225.11275	0.6
229.16011	1.5
229.58337	0.6
231.03017	1.9
232.11060	8.0
255.17572	45.3
256.17825	3.2
267.10229	2.2
279.17517	1.5
281.15552	1.2
321.18750	1.1
323.16519	4.7
324.16440	0.6
347.19778	0.7
426.31931	0.6
433.20084	3.3
439.59830	0.6
461.19717	100.0
462.20087	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	461.167
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62500	0.5
57.03456	29.8
59.01389	17.6
61.98836	2.0
65.00315	0.7
69.40797	3.7
71.01402	2.7
72.99319	0.7
73.02944	0.6
81.03465	7.3
83.01385	2.8
83.54670	0.4
85.02974	2.2
89.02441	2.7
95.05046	1.9
96.96019	1.5
96.96934	0.7
99.04531	16.0
101.02461	9.2
113.02470	1.1
122.02449	0.6
122.03752	0.6
123.04539	29.5
124.04861	0.9
125.02452	13.5
129.01913	0.5
130.70576	0.4
132.69971	0.5
137.06090	1.3
139.04047	0.6
141.30350	0.5
149.02457	1.3
151.00380	2.0
153.01944	1.1
153.05573	0.8
161.70245	0.5
163.03993	0.8
165.01947	5.9
166.02759	0.9
167.03513	100.0
168.04085	5.7
176.01161	0.7
179.03514	0.5
179.05655	0.9
180.04289	3.8
181.04985	1.5
183.06654	13.0
184.06949	0.7
191.03468	2.8
192.04076	0.6
195.04837	1.0
195.06635	18.1
196.06924	1.1
207.06676	0.5
209.04581	10.1
221.11819	0.9
239.05553	2.0
239.12859	0.7
243.08690	2.8
299.11273	0.6
317.12411	1.2
359.13464	1.7
399.16742	2.6
419.12137	0.8
461.12259	12.8
462.13541	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	461.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37197	0.7
57.03448	1.6
59.01387	16.3
61.98843	1.5
65.00350	3.1
69.45316	1.8
69.45716	4.3
71.01039	1.2
71.01398	6.9
72.99320	1.0
73.02953	1.8
75.00858	0.8
81.03458	1.0
81.24403	0.6
82.44679	0.8
83.05054	1.3
84.90488	0.7
85.02960	4.3
87.08949	0.7
87.98105	0.6
89.02460	3.8
90.29520	0.6
92.79581	0.7
93.03459	1.0
95.05057	1.6
97.02964	5.8
101.02459	2.5
101.59123	0.7
105.07165	1.6
107.05066	1.5
108.05857	4.3
108.44783	0.9
109.02969	2.7
109.06664	0.7
109.17582	0.8
111.00876	0.8
111.04539	4.5
113.02470	2.2
113.06133	4.4
117.03431	0.9
119.05077	0.8
119.08681	1.1
121.02966	1.4
121.06590	1.1
122.03745	3.6
123.04523	1.1
123.08163	4.2
125.06110	6.4
126.32319	0.8
132.02180	0.9
133.03009	2.3
133.16641	0.8
134.03766	2.1
135.00937	1.0
136.05341	4.8
136.98807	8.7
137.02412	1.1
137.06114	2.1
138.06879	7.5
139.07669	17.1
147.04536	1.3
148.05318	1.9
149.02493	1.5
149.06104	2.7
150.03258	1.6
151.03918	1.1
151.07668	36.8
152.04829	4.1
152.08459	14.5
153.09230	9.6
159.11826	1.5
161.02461	1.8
161.04543	1.9
161.09708	2.6
163.00398	2.7
163.04041	1.4
163.07689	3.8
165.01941	1.4
165.05629	1.2
167.07155	1.9
183.04602	1.0
185.43513	0.8
186.10616	0.9
187.03989	0.8
189.09193	1.4
191.00050	1.0
191.03595	1.2
197.02243	2.5
199.04062	2.3
200.04808	3.6
201.12871	10.6
202.13142	0.9
203.10823	4.2
204.09801	1.5
204.11586	17.3
205.05150	1.2
205.11942	1.2
206.05267	0.8
211.03932	1.7
219.13927	33.7
220.14262	2.7
225.11386	0.9
227.03557	3.6
228.04366	1.1
233.04462	1.2
234.04828	0.8
239.03493	1.3
240.04282	5.5
241.05020	1.6
245.11813	1.8
255.03001	39.4
256.03384	3.6
263.12897	100.0
264.13181	6.9
269.04724	3.6
270.05301	1.3
281.04575	3.9
283.02512	68.0
284.03247	44.1
285.03882	5.5
287.12848	1.9
296.03088	1.3
297.04062	14.1
298.04840	69.0
299.05624	71.9
300.05957	5.8
305.13916	3.0
308.03174	1.2
309.04074	1.9
310.04782	1.4
311.05566	1.2
313.07138	9.0
323.05716	2.1
326.04205	6.6
327.04974	1.1
341.06653	76.8
342.06992	7.4
353.06723	1.3
371.07690	5.3
401.21951	1.3
425.18109	1.8
446.08566	8.3
461.10861	56.4
461.15750	3.7
462.11050	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	461.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09384	0.4
59.01117	0.4
59.01386	5.9
65.00330	1.0
65.86215	0.3
69.26953	0.8
69.27367	2.1
71.01382	2.7
72.99318	0.6
73.02961	0.7
74.62297	0.3
75.00881	0.4
80.24045	0.3
81.03458	0.5
83.84332	0.3
85.02970	1.5
89.02457	3.0
91.01905	27.1
92.02268	0.5
96.95993	0.6
101.02466	2.0
107.01398	0.6
107.05061	0.8
113.02455	0.9
119.03564	0.6
121.02967	0.5
123.04474	0.4
125.02460	1.4
131.03458	0.5
133.86635	0.5
135.00903	27.4
136.01253	1.2
149.04613	0.8
151.00340	0.4
152.01184	0.4
161.04536	0.5
167.03516	100.0
168.03839	4.0
193.05243	0.4
221.52414	0.4
233.06673	0.6
266.04703	0.3
267.07410	0.6
271.02698	0.6
293.08856	2.1
294.09375	0.4
401.18213	0.4
429.10864	0.4
461.07205	1.6
461.13141	3.6
462.07205	0.6
462.13318	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1308
Annotation	Saccharumoside C
Peak:m/z	Relative Intensity
57.03458	6.8
57.05645	0.2
59.01387	3.7
59.27898	0.3
61.77259	0.2
61.98808	0.3
65.00338	0.6
69.85371	1.2
71.01414	0.8
72.99342	0.3
81.03468	5.2
83.01397	2.6
85.02969	1.3
87.00854	0.2
89.02480	0.8
95.05045	1.7
96.47050	0.3
96.96093	0.2
97.02953	0.3
99.04526	3.0
101.02459	1.6
107.01409	0.7
111.69020	0.2
119.05033	0.3
121.02938	0.3
122.02496	0.3
123.04543	27.1
124.04845	1.0
125.02463	9.8
129.01932	0.4
137.06075	1.7
139.04070	0.3
149.02452	1.0
151.00403	1.3
163.04025	0.7
165.01909	1.0
167.03516	100.0
168.03860	3.9
179.03572	0.8
180.04245	0.8
181.05031	0.5
183.06592	2.0
184.07042	0.3
191.01920	0.5
191.03461	2.1
195.06613	3.0
209.04582	12.0
210.04829	0.5
221.04524	0.6
236.47536	0.3
239.05641	3.4
243.08723	0.4
278.14075	0.3
359.13443	0.3
399.16318	0.6
419.11978	0.6
461.12921	16.4
462.13315	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1306
Annotation	Saccharumoside C
Peak:m/z	Relative Intensity
57.03456	1.8
59.01387	32.6
65.00334	0.5
69.03470	1.3
70.66953	0.6
70.67251	0.5
71.01393	8.3
72.99320	0.9
73.02962	1.5
75.00888	0.8
81.03461	5.6
83.01389	2.9
85.02972	2.6
89.02456	8.5
93.03457	0.8
95.01385	0.8
95.05041	1.1
96.96021	0.8
97.02950	1.6
97.31028	0.4
99.00893	0.9
99.04506	0.8
101.02470	2.4
101.03027	0.3
107.01428	1.6
108.02216	0.5
109.02966	1.4
113.02460	2.3
119.03519	1.4
121.02981	0.9
123.04541	34.9
124.04861	0.7
125.02458	9.7
131.03526	0.9
135.00900	2.4
135.04507	0.5
137.02466	1.1
139.04028	0.7
143.03514	0.6
149.02425	3.1
149.04555	1.0
150.03030	0.4
151.00395	1.7
151.03972	1.1
152.01125	0.5
153.01961	0.9
158.38329	0.4
161.04497	0.5
163.00412	1.2
163.04004	1.1
165.01993	0.8
166.02786	0.5
167.03510	100.0
168.03844	4.2
172.06163	0.9
175.00313	1.8
179.03534	0.7
179.05658	1.0
180.04259	0.5
181.05040	1.9
190.99883	1.3
191.01788	1.0
191.03519	17.0
192.03769	0.8
209.04562	5.5
210.04797	0.5
221.04558	0.9
225.11400	0.6
233.04570	1.2
233.06784	1.4
255.03111	0.4
265.84805	0.4
285.04102	1.1
293.08771	1.7
297.04092	0.7
298.04712	0.5
301.03702	0.5
313.03555	1.7
335.67117	0.4
341.02841	3.5
343.04727	0.7
364.11804	1.3
371.04028	1.3
429.10266	1.8
430.10992	0.4
461.07581	2.6
461.13046	33.9
462.07559	0.7
462.13327	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	461.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.1
60.99313	15.4
62.64246	0.6
71.01383	1.2
79.51859	0.5
85.02957	0.6
88.04041	4.5
88.98814	100.0
89.02473	0.7
89.04400	0.7
92.87135	0.5
94.21500	0.6
96.27182	0.6
101.02442	0.6
101.31871	0.5
101.42816	0.6
109.41000	0.5
119.05018	0.7
133.02985	0.7
161.89832	0.6
166.13210	0.6
172.83456	0.6
178.16704	0.6
182.73055	0.6
209.08299	2.9
241.05051	1.2
255.03024	2.1
257.08267	0.9
283.02573	1.4
284.03415	0.6
298.16611	1.4
299.17072	1.1
373.94244	0.7
419.23019	1.6
461.11539	3.1
461.23856	4.9
474.72174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1097
Annotation	Kaempferide 3-glucoside
Peak:m/z	Relative Intensity
51.94043	0.4
59.01369	0.4
69.34740	3.8
101.46133	0.4
130.72723	0.4
149.02470	0.5
151.00368	0.9
163.05467	0.4
227.03609	0.5
255.03009	86.1
256.03381	6.9
268.03775	0.8
269.04556	4.7
281.04459	0.4
283.02505	53.7
284.03165	11.5
285.04025	3.1
297.04068	13.9
298.04837	15.5
299.05594	9.0
299.08795	0.8
300.05872	0.8
313.03592	4.7
386.56631	0.5
428.94440	0.5
446.08582	18.8
446.42426	0.4
447.08841	2.5
461.10947	100.0
462.11270	10.7
463.17563	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63611	0.6
57.03467	0.8
59.01389	30.3
60.01709	0.7
61.98822	1.9
69.33035	3.3
69.33470	2.5
71.01394	7.4
73.02941	1.6
76.85411	0.6
80.84213	0.6
83.01380	1.3
85.02943	4.2
89.02454	4.0
101.02448	4.1
113.02457	2.8
119.03468	1.2
123.00981	0.8
136.98769	1.1
137.99568	1.3
139.00359	2.0
149.02434	0.8
152.01195	0.8
161.04579	0.9
163.06111	0.8
165.99086	6.4
166.99866	2.5
171.04486	0.8
177.99045	1.0
178.99876	1.0
180.00597	1.3
181.01390	0.9
193.98509	1.1
195.02963	0.9
199.04201	1.1
204.97787	1.1
205.98584	0.9
209.01036	0.8
215.03491	1.6
225.11351	0.8
227.03549	1.3
238.69307	0.7
241.01379	1.6
243.02966	2.1
244.03725	1.1
253.09274	0.8
255.03046	2.9
256.03403	0.9
258.01730	2.8
259.02588	4.3
270.01785	1.4
271.02515	2.3
273.04123	1.8
283.02499	2.5
285.04114	0.9
286.01318	1.5
286.04660	0.8
287.01993	19.3
288.02417	2.2
298.04907	1.3
299.02036	1.4
299.05426	0.8
301.03470	3.5
302.04285	2.8
307.86398	0.9
315.01526	2.6
316.02264	18.9
317.02661	2.0
330.03918	6.5
331.04620	63.5
332.04947	5.6
334.03436	1.8
341.06546	0.9
344.01895	1.7
345.06256	1.6
358.03366	6.3
359.04117	6.5
360.04459	1.0
370.03342	1.0
371.03967	2.4
373.05814	1.1
385.05600	1.1
388.04431	3.5
403.06741	100.0
404.07065	10.2
443.10016	1.9
461.10864	18.0
461.31644	1.0
462.11118	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	461.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65351	0.4
56.03988	0.4
57.13454	0.4
59.01387	9.9
61.98818	1.2
70.29808	1.6
71.01383	3.2
72.99309	0.6
73.02931	0.7
79.61989	0.5
81.70682	0.5
85.02938	0.9
89.02455	2.1
89.15245	0.4
97.02908	0.4
101.02425	1.9
105.03489	0.4
108.02197	0.5
108.74173	0.5
113.02457	1.0
114.70367	0.4
119.03523	0.6
121.02940	1.4
129.68706	0.4
132.02147	0.7
133.02951	2.2
134.03770	3.3
135.00890	0.7
136.01665	0.6
137.02412	0.9
147.04469	0.8
148.01633	0.5
149.02432	2.0
150.03250	0.6
153.06784	0.4
159.29070	0.4
160.01627	0.4
161.02487	0.8
161.04538	0.6
163.00377	2.8
164.01103	0.7
165.01904	1.9
175.04092	0.4
179.03416	0.7
189.01938	0.5
191.03519	0.8
197.05487	0.5
201.01978	0.6
211.04027	0.7
213.05374	0.4
214.06282	0.6
225.05551	1.3
227.03520	1.4
229.04936	0.5
241.05118	1.8
253.05110	0.9
255.02979	1.6
263.12915	1.9
269.04611	3.6
270.05301	2.1
273.07703	0.4
281.04416	0.4
283.02316	0.8
284.03284	1.7
285.04077	1.6
296.03302	2.1
297.04068	17.0
298.04837	100.0
299.02072	0.8
299.05276	9.8
308.03320	1.3
309.04111	4.4
310.04733	1.2
311.05762	2.0
312.06256	0.4
313.03918	0.5
313.07214	8.3
313.44662	0.5
314.07361	0.7
323.05566	1.0
325.03543	0.8
326.04309	5.4
330.03693	1.9
338.04346	0.7
339.04990	0.5
341.06671	98.9
342.06979	9.7
353.06732	1.4
371.07724	8.5
372.07889	1.0
383.08112	0.8
401.22171	0.6
461.10959	37.2
461.20621	1.0
462.11322	5.1
462.83411	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1094
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
57.03454	1.0
59.01389	28.5
61.98829	1.5
64.05005	0.5
66.98800	0.5
69.03486	0.6
71.01388	7.6
71.55061	0.5
72.99304	0.9
73.02959	1.9
75.00883	0.6
80.86275	0.5
83.01405	1.8
85.02960	4.1
87.00890	1.0
89.02450	5.0
95.01406	0.8
99.00892	1.2
99.96625	0.5
101.02443	4.7
102.02792	0.6
110.00092	0.9
111.00891	0.7
113.02465	3.3
119.03500	1.6
131.03508	0.9
137.99620	0.7
138.92928	0.5
139.00403	2.2
140.80479	0.5
143.03508	0.6
149.02452	0.8
149.04391	0.5
151.00331	0.6
153.02028	0.9
161.04602	1.5
163.06157	1.0
165.09186	0.6
165.99124	6.4
166.99876	0.9
177.99075	0.8
178.99883	2.2
180.00650	1.3
193.98611	1.2
194.99307	1.2
195.03049	1.5
199.04094	0.7
204.97752	0.9
205.07278	0.7
205.98608	0.7
209.00900	1.4
215.03543	1.1
221.00935	0.9
225.11279	0.9
227.03482	0.7
231.03050	0.6
241.01450	1.6
243.02985	1.7
253.09340	1.6
255.03020	2.5
258.01697	2.6
259.02493	3.1
260.55499	0.6
269.00732	0.6
270.01834	1.3
271.02481	3.6
272.02997	1.1
273.03961	1.5
283.02429	2.9
286.01135	1.7
287.02002	18.6
288.02536	2.0
298.04803	1.1
299.02109	1.4
299.05518	0.8
301.03510	2.2
302.04257	2.3
313.03500	1.2
314.04309	0.6
315.01468	3.5
316.02252	20.0
317.02728	2.0
330.03912	5.5
331.04611	58.9
332.05017	4.6
334.03256	0.8
341.03125	0.7
344.01758	2.3
345.06314	1.4
346.03452	0.6
358.03473	4.8
359.04156	4.9
370.02948	0.8
371.04047	2.2
385.05847	1.1
387.03488	0.8
388.04535	3.9
400.07523	0.8
403.06735	100.0
404.07031	8.6
443.09927	2.0
461.10968	16.0
461.23758	2.2
462.11365	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42413	0.9
55.01868	1.6
57.03451	13.3
59.01394	10.4
61.98838	3.8
69.25060	6.7
69.25474	1.9
71.01397	11.0
71.80054	1.0
72.99318	4.1
73.02985	1.0
73.19997	0.9
75.00903	1.5
77.33572	0.9
77.42001	0.9
78.03479	0.9
81.03468	1.1
81.90663	1.1
83.01402	2.6
84.02177	2.8
84.60809	1.0
85.02962	100.0
86.03308	2.6
87.00876	2.0
89.02451	1.1
96.96009	2.5
98.19853	2.3
101.02484	1.1
103.00365	1.9
111.00900	1.7
119.05010	8.5
122.02498	23.8
123.04547	4.0
125.02464	1.7
128.03473	1.2
129.01083	1.8
129.01965	16.1
134.06140	1.3
136.04056	4.1
136.10152	1.0
141.00182	3.8
145.02977	3.3
147.03026	20.1
150.25713	0.9
163.04045	8.4
167.03516	14.2
173.00952	2.8
173.02780	5.0
190.05144	1.5
191.01997	52.5
191.03452	2.1
192.02353	1.4
252.05151	20.2
286.10391	1.3
296.04120	2.0
311.05368	1.4
314.05164	13.5
340.05405	1.1
341.02985	2.4
370.06433	2.0
460.09387	4.2
461.07068	2.3
461.12973	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	460.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36022	0.9
51.48030	0.9
59.01084	0.8
59.01388	26.1
61.98838	96.4
71.01391	8.9
71.55276	1.2
73.02956	3.5
75.00903	1.3
83.01398	2.9
85.02956	5.3
87.00906	1.2
89.02463	6.1
91.51422	0.9
101.02458	6.3
113.02491	2.4
113.65188	0.8
119.03539	1.7
119.05061	1.1
125.02421	0.9
131.03510	1.5
136.78706	1.1
141.93063	0.8
145.03008	0.8
145.22455	0.9
146.44206	1.1
149.04590	2.1
149.09738	100.0
150.10066	5.9
155.15436	0.9
160.84212	1.3
162.10013	0.9
163.06108	1.2
167.03397	1.0
168.54156	1.0
183.50664	0.9
191.02019	0.9
223.13397	2.0
224.13713	2.6
255.03055	1.0
255.06653	1.1
283.02338	1.5
284.03308	1.3
285.04089	1.1
298.04581	0.9
299.05518	4.2
329.19556	1.7
339.12433	2.5
459.29883	1.8
460.29370	1.2
461.11285	4.9
461.23874	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2911
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
60.95728	0.2
65.74386	0.2
70.59982	0.5
75.43225	0.2
80.39528	0.2
87.44720	0.2
102.81313	0.2
107.05042	30.5
107.79872	0.2
108.05367	0.7
147.08139	0.6
147.40141	0.2
163.11308	100.0
164.11626	4.4
187.11279	0.3
223.03711	0.2
238.10077	0.3
280.14697	0.8
283.17075	25.0
284.17416	2.0
287.34488	0.2
295.17059	13.8
296.17389	1.2
398.38223	0.2
459.29099	75.0
460.29443	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	459.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	5.6
59.01386	93.5
61.35425	2.3
71.54359	2.7
78.63443	1.8
81.03475	11.9
90.12176	2.1
99.04530	90.3
100.04894	2.5
101.02454	79.6
106.07713	2.0
125.02427	1.8
140.33569	1.8
143.03514	41.3
161.04573	100.0
165.01961	3.4
167.09338	1.8
174.09145	1.8
185.05865	1.8
197.19113	11.2
207.73210	1.8
233.61552	2.2
255.23386	4.1
297.24353	32.3
298.24713	3.8
315.25458	22.2
316.25784	3.4
357.26523	22.7
358.26944	3.1
379.28427	3.2
423.27637	2.2
441.28601	53.6
441.34686	3.1
442.28992	7.5
459.23666	3.0
459.29761	53.1
460.30005	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	459.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77575	0.3
54.41792	0.2
54.76580	0.3
55.01883	1.0
57.03455	4.2
58.00608	0.3
59.01385	100.0
60.01720	1.0
61.98837	0.6
68.15421	0.2
71.01391	10.2
71.43077	0.5
72.99316	2.6
73.02948	2.2
75.00887	1.1
77.51002	0.3
81.03465	0.3
83.01380	1.6
84.02207	0.9
85.02960	33.4
86.03304	0.4
87.00890	1.1
87.04523	0.7
89.02451	2.1
90.84606	0.3
95.01411	0.8
99.00916	1.3
101.02453	4.6
103.00416	0.6
111.00910	0.9
112.98557	0.5
113.02465	6.1
119.03545	0.5
119.05031	2.4
121.02966	4.8
122.90463	0.3
125.02469	0.5
129.01964	5.1
133.06650	0.5
135.04562	0.9
143.03476	0.5
145.02946	0.4
147.03026	4.3
149.52287	0.3
161.04568	2.8
163.04024	2.3
165.09215	0.4
170.02277	0.6
173.01001	0.9
189.05637	0.8
191.01994	15.4
191.03546	2.2
192.02380	0.7
207.10350	0.8
209.08267	0.4
210.08652	0.4
251.05632	5.7
251.08041	0.4
255.19679	0.5
257.78882	0.3
279.16107	0.6
285.20877	0.3
295.04745	0.9
297.07904	1.1
313.05676	5.2
355.54520	0.3
363.18179	0.3
399.23984	5.4
400.24557	0.7
401.06918	0.3
417.25220	2.5
459.09225	0.5
459.20538	1.5
483.24078	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.7
57.03461	0.7
58.00621	0.6
58.82233	0.3
59.01389	100.0
60.01717	0.7
71.01389	7.7
73.02956	2.5
81.37199	0.4
83.01419	1.3
85.02957	3.2
87.00901	0.5
87.04567	0.9
89.02448	3.3
95.01413	0.7
97.02982	0.6
98.19781	0.8
99.00922	1.3
101.02459	6.0
101.06085	2.4
105.39971	0.4
108.83272	0.4
113.02452	3.3
119.03562	0.8
124.96361	0.4
143.03542	0.8
149.85870	0.4
161.04553	2.9
179.05618	0.7
255.19843	0.6
286.15543	0.4
297.20923	0.5
346.16449	0.4
399.23788	3.6
400.24765	0.5
417.25055	5.5
423.22604	0.7
459.19852	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	1.0
57.03466	1.0
59.01387	100.0
60.01707	1.2
69.43108	1.2
69.43517	4.5
71.01398	10.8
73.02952	4.0
75.00869	0.9
75.33834	0.8
77.28032	0.7
83.01402	1.5
85.02959	4.7
87.00898	0.9
89.02462	2.5
99.00885	1.0
101.02452	8.9
113.02476	5.9
125.02459	0.9
136.57890	0.8
138.76488	0.7
143.03468	0.9
153.91209	0.7
161.04561	6.9
161.09724	1.8
162.83905	1.4
219.04993	0.9
223.13397	10.4
237.11382	1.3
237.14981	7.5
241.33235	0.9
253.09282	2.3
291.18207	1.1
308.10025	0.8
399.23911	12.6
423.22385	8.9
459.14249	1.0
459.20218	6.3
459.29950	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17892	0.3
55.01885	0.5
57.03452	1.2
58.00599	0.6
59.01384	100.0
59.84752	0.3
60.01727	1.2
60.43295	0.2
61.98845	0.7
66.58797	0.2
69.03462	0.5
71.01389	14.1
72.99313	0.9
73.02954	7.4
75.37804	0.3
83.01392	2.2
85.02952	5.6
87.00908	0.5
89.02454	8.5
90.10107	0.3
95.01414	1.1
96.96039	0.4
97.02981	0.3
99.00908	1.0
101.02453	8.9
106.85368	0.3
113.02460	11.2
114.02840	0.5
119.03522	2.4
119.05028	3.9
119.36437	0.3
125.02486	0.5
129.02005	0.4
131.03531	0.7
135.00882	1.4
143.03516	0.9
147.60168	0.3
149.04590	0.7
153.01985	0.4
155.03531	0.3
161.04590	2.9
163.04057	0.4
179.05635	1.6
191.02034	1.0
204.04546	0.3
250.85927	0.3
255.06606	3.5
291.18323	0.4
297.04190	0.4
399.23819	2.2
400.24332	0.3
417.24997	2.6
421.21158	0.6
423.22369	2.9
459.20004	1.2
484.58591	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2546
Annotation	Vielanin B
Peak:m/z	Relative Intensity
50.68635	0.4
53.56947	0.4
79.16187	0.5
84.34030	0.4
93.03459	0.7
109.94270	0.5
119.05045	100.0
120.05383	3.8
145.02991	1.0
170.07455	0.8
171.08066	0.7
175.03963	0.6
187.11319	0.7
199.07681	0.6
211.11308	0.8
213.12732	0.6
215.07140	1.9
225.12628	0.5
227.07185	2.6
227.10794	1.2
227.14406	0.6
229.08797	1.1
237.86986	0.5
241.12325	0.8
242.13257	0.5
259.98810	0.5
271.13205	0.5
295.20773	1.6
335.12906	1.4
339.19678	12.6
340.20004	1.1
347.12747	1.0
357.20688	5.2
373.78552	0.5
396.89526	0.5
459.25446	73.4
460.25742	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	459.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90295	0.4
55.01881	1.0
57.03453	0.9
57.38853	0.4
58.00604	0.5
59.01389	100.0
60.01715	1.1
61.98840	1.2
69.03477	1.0
69.31574	3.9
71.01393	18.4
72.99319	0.6
73.02954	13.4
75.00876	0.9
76.26888	0.4
80.27979	0.4
83.01403	4.1
83.05055	0.6
85.02963	6.1
87.00900	1.0
89.02460	8.7
95.01422	1.3
97.02980	0.7
99.00920	1.8
101.02459	14.4
101.06068	0.8
113.02467	13.1
119.03523	2.7
119.05067	0.6
125.02460	0.9
131.03546	2.1
137.02509	0.4
143.03557	2.0
149.04611	1.6
161.04602	4.2
179.05650	0.6
186.38153	0.5
198.06091	0.4
224.71819	0.4
250.60681	0.5
269.04651	1.0
282.64594	0.5
297.04041	2.5
381.23245	0.6
399.23975	1.7
417.25116	3.2
459.22681	0.6
459.29459	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10869	0.5
51.07040	0.4
53.71065	0.4
55.01892	0.4
57.03470	1.0
59.01386	100.0
60.01727	1.2
61.98838	1.6
69.39782	1.8
69.40210	1.9
71.01393	5.8
72.99311	0.5
73.02958	1.9
83.01415	1.3
85.02959	7.7
85.03408	0.6
87.00925	0.6
89.02465	3.1
89.02962	0.5
91.01976	0.7
91.66519	0.4
95.01409	0.6
101.02467	3.6
110.23019	0.5
113.02486	2.1
119.03573	0.8
119.05048	2.5
121.02953	0.6
122.03808	1.0
125.02477	0.7
129.01990	1.1
134.03757	0.6
135.00949	1.3
148.01738	0.9
149.06158	1.4
153.01956	0.5
156.26915	0.5
160.25656	0.5
161.04552	1.2
163.04060	0.7
164.81300	0.5
174.01758	0.5
180.00763	1.2
191.02048	1.7
193.12349	4.2
237.11349	0.9
255.06691	3.1
255.10384	1.5
259.06464	0.7
274.02805	0.5
297.03918	0.5
309.25381	0.4
320.09332	1.1
327.21927	0.7
357.19559	0.6
421.20908	1.9
423.21930	0.8
459.13177	1.3
459.18240	0.7
459.29501	0.5
465.59546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.7
55.95446	1.5
57.03453	18.4
58.73268	1.4
59.01385	96.7
60.01714	1.4
61.98844	1.7
66.70564	1.2
67.01897	2.5
67.69890	1.6
68.99845	1.3
69.32764	1.5
71.01390	46.6
72.99318	26.2
73.02949	13.0
75.00880	14.9
83.01380	9.2
84.02177	1.7
85.02958	100.0
86.03271	2.2
87.00883	10.9
89.02453	10.5
89.51455	1.3
93.03513	2.6
95.01418	3.7
99.00901	9.3
101.02456	13.2
103.00372	1.9
111.00220	2.1
111.00881	10.3
113.02469	24.3
115.00380	1.5
117.02025	1.9
119.03577	2.4
119.05040	46.3
120.05352	1.7
121.02967	34.5
122.03291	1.6
124.75940	1.4
129.01958	46.7
133.06616	3.5
135.04541	8.1
143.03511	1.6
145.02936	7.1
147.03001	15.8
147.11833	2.7
161.04559	2.4
161.06007	2.1
163.04030	70.4
163.11305	6.9
164.04391	2.7
165.12856	4.2
173.00880	7.7
175.02562	1.4
189.05566	4.5
191.01988	26.5
191.10832	1.6
193.12389	2.4
204.17781	1.4
209.11961	2.5
231.06729	2.6
249.06151	21.5
251.05640	61.1
252.06009	3.5
267.07233	54.0
268.07761	3.1
279.15936	1.5
295.04706	2.7
313.05588	1.8
337.05707	2.4
339.04913	1.5
441.17612	12.1
441.70990	1.3
459.09305	2.5
459.11621	1.9
459.18503	35.9
460.19156	3.7
469.43213	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1878
Annotation	Dendromoniliside B
Peak:m/z	Relative Intensity
55.01872	1.6
57.03455	5.8
59.01385	35.7
67.01888	1.1
68.99825	2.2
69.03450	2.8
71.01392	27.9
72.99322	5.9
73.02953	3.3
75.00877	19.6
83.01388	2.6
85.02962	32.5
87.00888	10.7
89.02457	6.7
89.69341	1.1
95.01420	7.0
97.06594	1.9
99.00895	14.6
99.04538	1.4
101.02461	2.1
103.00398	3.6
111.00900	1.1
111.08150	4.0
113.02460	38.8
113.59943	1.1
115.00397	1.9
117.01942	3.2
121.96017	1.0
127.04042	1.3
129.01953	3.3
145.52170	1.0
148.36458	1.2
157.01465	1.7
165.12868	29.2
166.13203	1.8
175.02484	3.4
183.13919	100.0
184.14272	5.1
193.03574	4.0
194.17450	1.1
201.11409	1.2
205.07147	6.4
209.11856	11.3
212.92119	1.1
217.60844	1.1
227.12892	11.1
228.13290	1.0
229.55836	1.2
249.06129	3.0
260.44049	1.2
267.07126	1.5
415.19785	57.2
416.20053	8.1
441.17841	1.3
459.18802	79.4
459.29459	3.4
460.19135	8.7
462.80942	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69135	1.5
55.01880	4.5
55.38026	1.6
57.03454	15.6
59.01389	100.0
64.73407	1.5
64.89735	1.4
67.01901	2.8
69.02414	1.3
69.03531	2.0
69.35952	13.3
71.01389	36.5
72.99329	16.5
73.02953	12.5
75.00884	13.3
83.01394	8.8
84.02177	2.1
85.02964	91.8
86.03308	2.8
87.00885	8.6
89.02470	10.7
93.03468	2.1
96.96033	2.3
99.00907	6.2
101.02455	13.9
111.00887	8.7
113.02462	19.9
115.00389	1.7
117.03489	1.8
119.03611	3.6
119.05048	44.5
121.02972	32.8
129.01961	44.3
130.02324	1.8
133.06624	4.0
135.04536	6.1
145.02995	6.3
147.03017	13.6
161.04652	3.8
161.06044	2.8
163.04028	64.9
163.11353	3.6
164.04355	2.2
173.00952	9.2
189.05629	5.2
191.01991	24.9
191.03554	2.5
191.10716	1.9
223.13402	2.2
231.06898	1.6
249.06194	11.3
251.05635	53.2
252.05937	2.4
267.07239	33.7
279.16083	2.6
293.06552	2.8
295.04611	2.8
296.22449	1.8
297.07767	1.6
313.05719	3.6
339.05170	3.1
441.17786	6.3
459.09070	2.6
459.18433	25.0
460.19153	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	17.7
61.98836	6.9
63.02396	5.9
65.00324	12.6
67.26648	4.0
71.53876	4.9
71.54304	5.0
78.55898	4.2
107.01436	9.5
120.71595	4.5
131.97203	4.0
135.09602	4.0
146.07370	15.7
150.89276	4.6
151.00378	67.5
159.10437	3.9
161.05963	4.1
173.31210	4.5
178.06346	16.1
201.12875	45.2
271.17075	11.1
302.99188	3.8
394.70386	5.1
423.18134	100.0
424.18350	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	459.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40598	2.1
57.03456	3.0
58.00592	2.7
59.01389	100.0
60.94521	2.0
69.53214	6.0
69.53622	7.1
71.01392	47.9
72.99317	3.9
73.02954	87.6
83.01387	23.2
85.02956	13.8
89.02434	12.6
101.02455	73.2
108.70340	1.9
109.34763	2.1
113.02435	13.9
119.03512	5.3
125.02452	2.4
131.03537	4.8
149.04532	3.6
151.23003	2.0
161.04619	15.2
182.07979	2.3
191.01961	5.0
193.12378	10.8
209.03017	2.0
212.22432	2.4
289.52475	2.2
303.63751	2.0
355.17715	3.1
373.18713	12.7
415.14563	3.4
415.19778	47.9
416.20016	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	459.188
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77576	0.5
59.01389	100.0
60.01730	1.0
61.11589	0.5
61.85220	0.5
61.98825	1.3
63.66823	0.5
71.01387	4.3
71.55190	0.9
72.99316	0.6
73.02959	1.4
85.02953	2.6
87.00904	0.8
89.02463	2.9
93.03486	2.1
96.95972	0.7
101.02479	2.1
113.02487	1.9
114.01995	0.6
117.03509	0.8
119.03488	0.7
137.02443	4.7
161.04619	0.8
170.02235	0.8
179.05634	0.6
195.10291	0.7
207.10303	3.7
227.24034	0.6
244.37611	0.6
283.06186	1.5
309.04459	0.6
311.12888	0.6
339.05096	3.9
339.14645	1.1
352.41663	0.6
357.15750	3.3
369.06396	2.3
399.16684	4.5
459.09128	5.1
459.18832	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
59.01377	1.7
59.22018	0.7
60.97013	0.8
61.37792	1.0
69.79200	0.8
71.01376	1.4
73.02956	41.5
73.72561	0.9
75.91287	0.8
78.95901	1.4
85.02951	4.8
96.96059	0.9
99.00890	4.6
108.93749	2.8
114.94206	0.8
116.84530	0.7
116.92846	3.8
116.97269	0.8
117.01957	100.0
118.02292	1.7
133.77600	0.8
134.95314	1.1
162.27626	0.8
174.94795	1.1
181.62886	0.8
183.71259	1.0
191.02023	1.4
193.23659	0.8
209.02873	1.0
216.70302	0.8
264.94305	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27320	1.8
59.01379	10.0
63.21443	1.6
69.47658	2.0
70.19293	2.3
70.19634	7.1
71.01385	6.0
73.02956	53.1
85.02950	5.6
89.02465	4.1
93.00306	1.8
99.00880	5.0
116.92834	2.7
117.01960	100.0
118.02235	2.6
118.05088	2.0
162.88118	1.9
181.79834	2.0
191.02130	2.3
234.57558	1.7
244.75627	1.9
285.06253	2.0
341.10855	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	459.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24172	0.8
58.05559	0.8
59.01389	2.7
63.02409	1.0
64.43413	1.0
65.00331	7.0
68.02759	1.0
68.16787	0.9
68.99818	1.1
71.54656	0.8
81.95216	0.9
88.09257	0.9
93.03478	4.0
96.96013	6.7
109.06599	3.4
111.08179	2.1
118.89954	1.1
119.05040	52.3
120.05374	1.6
133.06612	18.5
148.01703	1.3
151.07634	6.2
173.08195	2.9
175.07677	6.8
176.01189	4.9
177.01869	1.5
185.05989	1.3
187.04012	2.3
193.08649	1.3
219.06647	46.1
220.06998	2.6
233.08260	3.7
245.08267	1.4
248.74326	0.8
271.26733	0.8
295.13364	3.1
339.12393	100.0
340.12759	10.5
357.05399	0.9
361.10455	1.2
377.08099	2.2
378.45667	0.9
399.06693	1.9
477.09286	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20591	0.8
59.01375	2.6
70.26995	2.5
75.45880	0.8
98.20538	1.2
102.05573	1.1
116.14814	0.8
117.38410	0.8
121.95615	0.8
159.83559	0.8
241.03592	0.9
299.25873	1.2
321.31647	99.1
322.31949	12.7
339.32648	1.7
365.30634	44.8
366.30893	5.1
383.31696	100.0
384.32111	10.7
457.35388	60.4
458.35791	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	458.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81092	2.5
54.40081	2.5
57.03437	14.4
59.01386	31.9
61.98841	38.2
71.01403	12.7
71.54093	4.3
72.99318	3.9
73.02966	2.3
75.00879	3.5
76.43314	2.5
79.73418	2.9
83.01422	4.7
85.02961	100.0
89.02460	7.5
96.96001	5.5
98.95605	3.8
99.00877	3.1
106.06655	2.8
111.00876	4.0
113.02467	3.5
119.05029	14.1
121.02972	14.9
121.03698	2.7
129.01955	15.7
145.02937	3.4
147.03014	11.4
149.02406	4.9
161.02403	3.1
163.03979	5.4
189.05577	4.1
191.02007	29.2
205.05023	4.5
216.63412	3.1
217.05045	7.8
218.05838	9.6
233.04607	7.9
247.09769	33.3
251.05568	8.0
275.09268	54.7
276.09543	6.4
294.48315	2.6
313.05609	12.7
337.05920	2.7
339.05045	4.3
339.08749	6.0
371.09705	3.6
395.08658	4.9
395.13528	60.0
396.14032	7.4
430.62003	2.8
443.17529	2.6
458.13428	3.5
459.09012	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	458.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85960	0.3
56.95939	0.4
59.01386	12.9
61.98838	100.0
65.58800	0.4
66.71027	0.3
71.01405	1.2
71.55418	0.6
74.45571	0.4
85.02981	1.4
89.02461	1.3
89.19800	0.4
101.02473	1.1
113.02471	0.9
119.03486	0.4
147.04491	0.4
237.07726	6.6
295.26013	0.4
325.84335	0.4
398.42761	0.4
459.09338	0.8
459.22794	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80387	1.4
59.01390	100.0
61.98856	1.4
71.01392	24.6
71.55029	1.7
73.02967	7.8
73.04095	3.0
75.00906	2.6
83.01398	2.0
83.05025	2.1
85.02966	9.5
89.02467	21.7
89.56342	1.5
97.02995	2.0
99.00903	3.7
101.02447	11.0
113.02473	6.3
115.05153	6.9
119.03508	2.4
119.05041	5.6
121.02979	4.9
125.02473	7.0
125.33956	1.6
130.08757	12.5
131.03539	2.8
136.50827	1.5
142.54367	1.5
145.02994	1.7
148.05319	8.3
149.04596	2.8
161.04625	3.0
163.07712	3.3
168.15138	1.6
180.11853	1.6
226.00397	1.6
233.06650	5.8
267.06558	10.0
270.21896	4.4
293.08835	3.6
295.06149	10.2
309.07913	1.8
337.03607	4.8
374.71567	1.6
397.09225	2.6
413.24088	20.5
414.24414	2.2
439.17896	1.8
457.11923	12.6
457.18265	2.7
457.27173	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	457.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80387	1.4
59.01390	100.0
61.98856	1.4
71.01392	24.6
71.55029	1.7
73.02967	7.8
73.04095	3.0
75.00906	2.6
83.01398	2.0
83.05025	2.1
85.02966	9.5
89.02467	21.7
89.56342	1.5
97.02995	2.0
99.00903	3.7
101.02447	11.0
113.02473	6.3
115.05153	6.9
119.03508	2.4
119.05041	5.6
121.02979	4.9
125.02473	7.0
125.33956	1.6
130.08757	12.5
131.03539	2.8
136.50827	1.5
142.54367	1.5
145.02994	1.7
148.05319	8.3
149.04596	2.8
161.04625	3.0
163.07712	3.3
168.15138	1.6
180.11853	1.6
226.00397	1.6
233.06650	5.8
267.06558	10.0
270.21896	4.4
293.08835	3.6
295.06149	10.2
309.07913	1.8
337.03607	4.8
374.71567	1.6
397.09225	2.6
413.24088	20.5
414.24414	2.2
439.17896	1.8
457.11923	12.6
457.18265	2.7
457.27173	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	457.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42053	0.6
55.62954	0.6
57.03421	0.8
59.01386	100.0
59.06394	0.6
60.01735	0.9
60.71016	0.6
69.32903	5.2
71.01384	1.1
85.02978	0.5
96.96034	0.8
108.71454	0.6
112.08509	0.5
119.05037	5.0
120.05428	0.7
120.77525	0.6
122.84010	0.6
125.02453	0.9
135.04555	1.0
150.32144	0.6
151.00449	0.7
153.01909	0.7
174.99207	0.8
175.40178	0.6
176.79024	0.6
207.10356	1.2
217.00334	3.3
238.81734	0.7
250.14838	0.6
298.99524	1.5
314.44815	0.7
322.53448	0.6
343.84213	0.6
374.99216	1.7
401.02942	0.6
439.17841	1.7
457.12466	1.1
457.18832	4.0
457.28311	0.9
469.54462	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.3
59.01373	2.6
62.04226	0.6
65.00320	2.5
65.65849	0.6
68.99818	2.6
69.03457	0.8
69.70484	3.4
83.01399	2.8
87.04516	0.9
93.03452	2.8
95.01400	1.4
107.05099	0.8
110.00098	4.7
111.00886	1.8
117.03479	1.9
119.05042	60.6
120.05370	2.3
121.02930	0.6
121.06604	1.5
123.00928	0.8
124.01674	4.2
125.36276	0.6
127.07652	1.9
133.06567	0.7
135.00885	0.7
136.98814	3.4
137.99596	1.8
143.05035	7.9
144.05368	0.8
145.03018	6.1
145.06551	0.9
145.60498	0.7
147.04526	0.9
147.06523	0.7
149.02414	1.2
149.09708	0.9
150.03212	1.2
151.00409	2.4
152.01183	4.4
153.09232	1.3
156.00667	1.0
159.04506	2.2
159.06670	1.4
159.08072	0.8
161.06123	5.3
163.00346	0.9
163.04033	2.1
163.07651	0.9
171.04501	1.6
173.06020	1.1
174.03262	0.7
175.07634	0.9
177.05611	0.9
178.06444	1.2
179.07161	1.1
181.08698	2.1
185.06059	1.3
187.04025	9.3
188.04611	1.0
189.05560	4.9
191.03606	0.9
191.07120	2.0
199.04033	0.7
203.07182	1.9
205.05043	1.3
205.08578	3.0
207.06676	1.3
212.04951	0.8
213.05588	1.1
216.04012	0.8
219.06628	1.2
219.10185	1.2
221.08218	21.6
222.08507	1.5
229.05089	2.3
229.12436	1.1
231.06654	5.3
232.07196	0.8
233.04463	1.0
234.05334	1.0
240.04178	0.9
241.12405	0.7
245.07999	0.7
257.04568	1.7
258.05200	0.7
259.06073	1.2
269.14081	3.9
290.98288	0.6
307.06107	1.1
309.11356	11.8
310.11807	0.9
311.12634	0.9
319.11774	0.7
323.12796	1.1
325.14502	0.8
327.12421	9.9
329.10339	0.9
347.11404	4.6
351.12424	8.5
354.10938	1.5
369.13425	9.4
370.13730	0.9
374.98853	0.8
421.16342	1.0
429.60660	0.7
439.17517	7.0
440.17551	0.7
453.42633	0.7
457.18719	100.0
458.19098	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	457.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
57.03455	1.1
59.01385	100.0
60.01722	1.1
61.98835	2.8
69.24741	3.0
69.25163	3.6
71.01386	11.9
72.99309	1.2
73.02963	5.3
74.02495	0.8
75.00880	1.5
83.01413	1.9
85.02943	6.3
87.00883	1.5
89.02448	6.3
93.03519	0.8
95.01389	1.2
99.00893	1.9
101.02452	7.0
109.03018	1.3
113.02468	5.6
116.31506	1.0
119.03522	1.9
119.05122	1.5
125.02458	1.4
129.02032	1.3
144.48386	0.7
161.04607	2.9
163.07686	1.2
179.05739	0.9
183.13866	0.7
207.10342	1.6
209.08151	1.0
217.00325	0.7
250.58203	0.9
267.07242	1.1
295.06238	2.8
397.22678	1.2
415.23499	2.3
457.11658	1.2
457.18179	4.3
457.28131	0.9
457.34375	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16311	0.5
52.75026	0.5
53.50332	0.5
57.03456	1.7
59.01382	3.7
65.00330	0.8
67.31792	0.5
69.03464	1.5
71.54196	0.9
74.91160	0.6
77.54575	0.5
81.03467	2.6
83.01392	4.3
84.51876	0.6
85.02962	1.7
87.04531	2.1
93.03468	1.9
95.01369	1.0
97.02959	2.2
99.04532	0.8
105.37772	0.6
107.01422	0.9
109.03011	1.1
109.06590	0.9
109.68281	0.5
110.00098	1.3
111.00890	2.1
113.02520	0.7
113.06089	0.6
117.03518	0.9
119.05039	100.0
120.05354	3.7
121.06598	1.0
124.01682	1.3
125.02493	3.7
125.09726	2.5
127.07682	3.1
135.04559	1.1
136.98820	1.1
137.02449	1.4
137.09702	0.7
143.05022	6.6
145.02966	2.5
147.06644	0.9
149.09744	1.0
150.03220	0.7
151.00389	2.4
151.07645	3.1
152.01146	1.1
153.09186	1.3
159.06683	1.7
161.06102	1.1
163.04044	1.3
163.07655	1.8
167.10796	1.0
177.09262	1.5
179.07161	1.2
181.08704	1.4
187.04051	2.7
189.05588	1.0
191.10799	1.8
205.08730	4.0
207.06624	1.3
207.10332	1.3
213.05524	0.8
217.00357	3.1
220.99673	0.6
221.08205	5.8
223.09729	2.7
227.05563	5.6
229.04852	0.7
231.06712	1.2
251.12935	1.8
259.03384	0.6
265.14450	0.6
269.13940	21.0
270.14276	1.4
271.13409	1.0
293.14038	2.4
295.11935	1.1
305.17828	0.7
309.11310	2.0
311.15070	15.5
312.15417	1.3
319.11887	1.3
321.13284	0.6
323.12851	1.0
327.12463	5.6
328.12732	0.7
337.10193	0.5
337.13062	5.7
347.11438	1.0
351.12451	3.4
369.13528	3.0
374.99042	0.9
439.17545	4.4
440.17908	0.7
457.18701	47.1
458.19150	6.5
461.17880	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29171	1.0
57.03457	2.0
59.01385	48.7
59.19517	1.1
61.98803	1.1
65.00349	1.2
71.01388	7.4
71.47879	1.0
72.99267	1.4
73.02950	2.4
75.00880	1.2
81.03455	6.8
83.01358	2.3
85.02963	7.6
89.02459	3.1
97.02961	1.6
98.19900	3.6
99.00894	2.0
99.04549	2.0
99.08126	1.4
101.02460	4.3
107.66421	1.2
109.02988	1.6
113.02498	3.7
119.05042	23.7
122.06133	4.9
123.08167	4.9
125.02488	6.6
125.06132	8.1
133.06625	1.4
135.00822	1.8
135.04550	2.2
137.02524	1.3
147.04556	1.2
149.02402	2.0
149.06143	1.1
153.01952	1.2
158.14772	1.2
161.04599	2.6
165.09227	37.5
166.09698	1.6
170.02190	1.7
181.12372	2.0
186.01988	20.2
187.02612	1.3
189.09201	1.2
193.08672	1.7
205.08821	1.7
207.10260	10.9
209.08211	100.0
210.08600	6.1
215.07129	1.6
218.04596	32.2
219.05150	3.1
223.09753	2.9
233.08211	24.4
234.08630	1.2
251.09323	10.5
252.10030	1.3
258.11478	2.6
263.09195	3.7
274.10764	2.9
305.12747	5.0
309.08844	1.7
311.14020	1.1
317.12949	1.5
349.11823	2.2
383.19815	3.2
395.19800	7.1
396.20303	1.4
397.22470	1.1
413.14554	14.2
415.23477	2.0
427.18896	2.8
439.18716	17.0
440.18958	1.8
457.19305	42.6
457.28049	5.8
458.19763	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	457.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.8
61.33105	1.3
71.01392	8.7
71.01727	1.3
71.45213	1.9
72.00941	1.4
76.36322	1.1
82.02991	6.1
85.02963	2.6
85.04084	48.8
85.98254	1.2
86.02501	2.8
87.05663	13.3
88.04056	11.3
90.86604	1.2
96.99977	1.3
107.06185	1.3
109.04062	3.2
111.02006	2.9
113.03555	2.8
125.03095	10.9
127.05171	4.2
128.03560	96.3
129.03882	3.5
132.86792	1.2
135.05692	6.8
140.05415	12.9
152.08310	9.7
153.06674	2.2
157.06204	64.3
158.06520	1.7
159.07750	3.0
170.06473	14.3
175.61154	1.3
178.06271	8.1
179.04637	10.2
184.04912	3.1
196.07307	19.7
197.05775	2.3
214.08411	2.0
224.10396	3.1
235.21013	1.3
242.11436	1.6
268.09378	12.7
269.09909	1.3
286.10471	45.0
287.10861	3.6
328.13327	3.0
360.56683	1.4
439.16696	6.9
457.17694	100.0
458.18051	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	457.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
59.01379	2.3
61.98835	1.1
70.66914	0.4
70.72978	0.8
71.01393	2.5
72.99346	0.4
73.02951	0.9
75.00885	0.4
76.23804	0.3
78.95908	2.6
80.96330	0.4
82.06507	0.4
83.01314	0.4
85.02963	2.2
87.62540	0.3
89.02471	1.5
93.03471	0.7
95.88174	0.3
96.95994	0.5
96.96963	2.1
98.97397	0.9
99.00874	1.8
99.48158	0.3
101.02456	1.3
113.02459	0.8
119.05039	100.0
120.05360	4.2
125.02462	0.8
133.06604	0.6
145.02969	0.4
147.03023	0.4
161.06067	1.0
163.04025	49.3
164.04346	2.6
177.02028	0.4
205.05089	0.8
211.09114	0.3
253.35760	0.4
325.09494	0.8
457.13547	55.9
458.13800	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	457.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	7.5
71.01405	0.7
71.31596	0.8
73.81790	0.6
74.27973	0.7
81.03465	4.4
83.01382	0.9
84.24216	0.6
89.02392	0.7
101.02457	0.9
101.06068	0.9
107.01363	0.6
123.08170	2.8
125.02451	5.5
125.06103	4.8
141.09273	0.8
147.08202	0.9
151.00391	0.7
161.56062	0.6
165.09221	25.2
166.09512	0.8
191.07149	1.7
209.08205	100.0
210.08542	6.0
251.09065	1.0
320.94302	0.7
413.14651	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	456.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52964	0.4
59.01375	3.2
61.98838	100.0
71.01393	1.1
71.55312	0.7
89.02484	0.6
101.02452	0.5
119.41975	0.5
137.02428	0.6
208.87694	0.5
297.07889	1.5
337.07193	0.7
347.07111	0.6
353.06775	2.1
354.07352	0.5
409.36835	0.6
456.15405	0.8
457.11102	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	456.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04575	0.5
56.95477	0.6
57.03446	0.7
57.78850	0.5
58.02983	14.9
59.01387	1.1
61.98825	0.9
68.11150	0.5
71.01382	1.8
71.02287	1.3
73.02953	7.4
84.04550	0.8
85.02957	6.1
88.98754	0.6
89.02472	0.7
94.12553	0.6
96.96024	0.9
99.04531	0.9
101.02432	0.6
102.05619	100.0
103.05954	2.4
105.26011	0.5
109.02960	0.5
119.05038	5.3
121.72187	0.6
125.02485	1.3
128.03523	0.7
135.04533	1.3
144.06682	28.7
145.07033	0.9
149.06085	15.5
150.06412	0.9
163.04034	2.3
165.01875	0.6
208.09793	4.3
209.19846	0.6
268.65594	0.5
276.12460	0.7
294.13507	39.1
295.13803	2.0
297.18045	0.5
336.14471	1.7
456.18835	61.2
457.13333	2.0
457.19189	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	456.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	16.3
67.56372	0.3
71.08692	0.7
73.02959	6.7
83.05055	0.4
84.04564	2.5
85.02967	2.9
102.05621	100.0
103.05967	1.6
114.38925	0.3
123.03494	0.3
144.06683	29.6
145.07054	0.7
170.08234	0.5
293.28461	0.3
301.01248	0.3
392.16595	0.3
438.35892	1.3
456.36969	38.4
457.37326	5.6
483.95139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3535
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
52.80879	0.3
70.85273	0.7
125.96413	0.3
169.28738	0.3
184.65424	0.3
419.18878	0.6
455.35330	100.0
456.35709	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	455.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34820	0.7
54.71568	0.7
54.94546	0.7
63.86078	0.7
63.98769	0.8
69.30703	5.8
71.05029	14.8
72.05383	1.0
72.99580	0.7
83.05058	1.5
87.04527	22.6
94.57500	0.7
98.19930	1.3
100.00525	0.7
113.02427	2.6
131.03526	29.5
132.03906	1.0
178.20177	0.8
187.17725	0.8
196.51755	0.8
267.26987	2.4
281.28506	17.7
282.28882	1.3
323.29645	10.2
324.29855	1.3
329.73834	0.9
341.30640	100.0
342.30951	12.1
353.82950	0.8
367.28635	0.9
389.95212	0.9
455.35437	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2655
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
50.28324	0.5
51.85950	0.5
54.26022	0.5
55.01883	0.7
57.03433	2.0
58.00592	1.5
59.01387	33.1
62.16721	0.5
68.64716	0.4
69.58348	2.2
69.58758	1.3
71.01389	22.8
72.99311	2.2
73.02938	1.6
83.01387	1.6
83.54739	0.5
85.02966	5.5
87.00878	1.6
89.02455	16.5
93.03472	0.7
95.01397	1.7
95.04998	0.7
101.02454	11.0
105.03476	0.6
113.02456	6.3
117.03476	0.6
119.03533	6.1
119.05031	14.2
121.02991	0.8
125.02513	0.9
135.00851	0.7
135.04488	0.8
149.02455	1.1
149.04587	0.8
151.00374	0.8
157.05037	0.6
159.04585	0.7
171.10320	1.1
174.93076	0.5
175.07646	1.5
177.01889	0.9
177.05650	0.5
179.14377	1.2
193.08514	0.6
205.16046	0.7
209.11879	0.9
223.13463	1.2
235.34071	0.5
275.20178	6.7
277.21683	1.0
293.21246	23.9
294.21494	1.8
297.07748	0.6
309.13437	0.7
332.77933	0.6
437.16074	0.7
455.16772	5.1
455.26523	100.0
456.17261	1.2
456.20184	0.6
456.26822	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	455.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30516	0.4
58.75997	0.4
59.01404	0.5
59.02811	0.4
61.98835	0.5
68.99844	1.2
70.54456	0.8
70.54786	0.5
76.20077	0.5
79.01903	2.2
93.03484	1.2
95.01402	0.9
100.80674	0.5
110.00126	3.4
111.00927	1.3
119.05036	7.3
120.05356	0.6
121.02976	0.7
123.00010	0.9
123.00905	14.1
123.01774	1.0
125.02475	0.5
136.01711	1.0
137.02509	3.2
137.99628	1.7
138.03273	1.6
149.02469	0.8
150.03253	1.1
151.00381	28.6
151.07637	1.0
152.00783	1.3
153.01959	0.9
163.00414	1.8
165.01942	10.2
166.02708	1.7
170.02121	0.8
177.01859	0.5
178.02669	2.2
178.99887	7.9
179.03471	1.3
181.05055	0.6
182.12698	0.4
188.04846	0.6
193.01443	12.4
194.02213	7.1
196.07346	2.5
197.08054	0.4
203.07204	1.0
209.04573	0.7
209.08112	0.9
223.06094	2.4
224.06883	5.3
224.08878	0.6
228.06473	1.5
237.07719	1.2
241.05180	0.5
251.05699	2.7
252.06416	22.8
253.06737	0.9
257.08246	2.6
265.07150	2.8
270.05310	1.0
271.06033	0.6
276.06763	0.6
284.06693	0.5
285.07718	8.8
286.08185	0.7
299.09253	7.5
300.09616	0.9
313.07227	4.0
327.08777	10.5
327.12109	0.8
328.09299	2.3
343.11948	1.5
358.14194	1.4
359.15039	2.3
371.11414	4.2
386.13730	100.0
387.14047	9.2
437.19550	1.6
455.20703	38.3
456.21069	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	455.206
Annotation	Antiarone J
Peak:m/z	Relative Intensity
57.35791	5.0
59.01384	100.0
61.98845	43.2
71.01385	19.5
71.55164	6.6
73.02952	7.4
83.01392	5.4
85.02956	17.8
89.02428	6.6
101.02448	21.5
113.02504	5.2
153.01952	5.6
156.38412	5.5
161.04550	5.9
205.68639	5.6
223.31915	5.1
233.08095	6.5
289.49881	5.4
446.00839	5.8
455.20358	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2083
Annotation	Antiarone J
Peak:m/z	Relative Intensity
50.77089	0.8
55.62006	0.8
59.01386	2.9
65.00355	1.8
68.99826	1.1
71.05019	2.0
77.33804	0.7
78.70911	0.7
79.32906	0.9
92.18835	0.8
93.03486	0.8
95.01395	1.1
97.02956	1.1
98.20700	1.6
98.38255	0.8
98.89432	0.8
110.00130	4.6
113.06088	1.7
117.03480	0.8
119.05049	19.2
121.45644	0.8
123.00900	1.3
123.54504	0.7
124.01698	1.5
133.06587	0.9
136.98839	2.6
137.99591	3.3
143.05086	1.0
145.02951	2.3
151.00381	1.8
152.01060	1.8
156.00735	1.1
159.04500	4.4
161.06026	1.6
163.00378	1.6
163.04001	2.1
165.01884	1.0
171.04507	1.3
172.05235	1.1
174.03311	0.9
175.07671	2.2
177.05560	1.5
178.06352	1.7
179.07162	1.3
185.14723	0.8
186.03197	2.4
187.04016	1.0
188.04776	3.1
189.01897	1.1
189.05574	1.6
189.09239	1.1
191.03453	1.0
191.07166	3.0
193.71577	0.9
195.10449	0.8
199.07573	1.3
201.05714	1.9
203.07219	3.8
205.05043	2.3
206.05798	1.1
213.05682	1.0
217.08688	1.2
219.06680	2.1
220.07390	2.0
224.06912	1.1
229.05110	1.1
229.29723	0.8
234.05333	2.9
236.61339	0.8
243.06581	2.9
245.08115	1.2
253.14502	1.0
255.06712	0.9
257.04572	1.4
264.11560	0.8
271.06128	1.7
272.06827	1.4
276.06287	1.5
303.12494	1.4
308.10577	1.5
321.07852	0.9
323.12921	7.8
324.13254	0.9
325.10757	1.0
330.11063	3.2
336.80112	1.1
341.13956	20.0
342.14206	1.8
345.13507	9.7
346.13803	1.6
349.10770	2.2
368.12680	3.5
379.15628	1.9
437.19702	8.4
455.20789	100.0
456.21085	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	455.178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	6.0
59.01392	67.8
59.68519	4.1
71.01392	62.7
71.53742	7.4
72.99310	6.9
73.02950	13.3
75.00869	24.7
78.95927	64.5
81.03463	4.7
81.88479	5.5
83.01395	5.6
85.02967	38.6
87.00854	7.1
89.02448	100.0
92.21140	4.2
93.87477	4.6
95.01352	4.6
96.96971	67.4
97.02981	11.1
99.00876	6.7
101.02460	23.6
101.06081	60.2
109.02962	7.4
113.02496	10.9
119.04973	7.2
125.02457	47.1
129.01936	6.7
131.03506	20.6
147.02971	8.2
149.04547	39.5
163.04005	12.8
167.03552	6.2
167.48268	4.5
177.01878	7.3
191.02005	7.5
191.05589	10.0
199.00151	13.4
209.03052	5.1
213.01729	8.5
233.06624	16.4
293.08771	71.9
395.08707	4.7
455.10074	24.7
455.15726	7.1
456.09613	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	455.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20943	5.3
57.03442	13.0
59.01389	100.0
61.98851	30.8
69.29964	38.5
69.30379	12.7
71.01386	31.0
73.02952	13.0
75.00891	5.8
85.02962	61.5
85.45760	6.3
89.02452	33.9
99.00899	11.5
101.02458	19.3
101.96533	5.4
113.02454	15.6
117.97224	6.6
147.03024	7.9
149.04558	24.2
191.01973	31.5
293.04367	9.2
293.08810	12.9
317.60526	5.3
419.19153	22.6
420.04019	6.1
455.10828	6.1
455.16824	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52286	0.7
59.01388	11.2
59.01657	0.8
61.98864	0.7
65.00354	1.2
65.62296	0.6
68.99857	2.5
71.01408	2.7
72.99320	0.7
73.02960	0.9
78.95924	0.9
83.01420	1.8
85.02962	1.6
89.02507	1.6
91.01916	4.4
93.03496	1.9
96.96056	0.6
99.00933	0.7
101.02477	1.9
107.05000	0.6
109.03000	0.8
110.00115	3.2
111.00914	0.8
113.02448	1.0
116.07204	0.7
117.03473	0.7
119.05044	33.4
120.05408	0.7
120.15128	0.5
121.03008	1.5
122.31806	0.6
123.00934	1.7
124.01708	2.1
125.02490	1.0
128.03531	0.8
133.06648	1.7
135.00906	0.8
135.04588	2.2
136.01677	0.8
136.98874	2.1
137.02530	1.9
137.06160	0.9
137.99635	2.2
139.00417	4.9
143.05080	1.6
145.03046	0.7
149.02515	0.8
149.06142	0.9
151.00417	2.7
151.04013	1.0
151.07692	1.6
152.01219	3.0
153.01949	4.2
156.00711	1.1
157.06638	1.1
161.02339	0.7
161.06065	1.4
163.00378	9.2
163.04071	1.9
164.04822	0.6
165.01942	7.0
165.05603	1.1
165.99075	2.1
166.02803	0.8
168.00676	1.2
175.07632	0.6
177.01976	1.4
177.05656	1.8
178.99901	1.0
179.03517	3.5
180.00740	0.9
181.01460	0.9
183.06691	0.9
187.04146	1.0
189.02023	0.7
189.05603	1.8
190.99893	3.2
191.03516	3.2
191.07201	1.5
192.04364	0.8
193.01430	13.3
193.05142	1.9
194.02089	2.7
195.06662	0.8
200.62617	0.6
203.03516	1.1
205.01494	2.3
205.05074	9.0
207.02995	4.4
207.06679	2.0
219.03088	1.2
219.06612	5.6
220.03658	1.1
221.04623	2.6
222.05431	2.2
223.06142	3.0
223.25266	0.6
229.05092	0.9
232.03853	1.7
233.04572	13.2
234.05156	1.0
235.06200	4.0
236.06889	2.0
237.07690	1.8
246.05283	2.2
247.06142	5.2
250.04829	9.6
251.05557	10.9
251.16562	0.7
255.06792	0.9
255.10483	0.6
258.05389	0.9
263.05606	1.5
264.06412	6.0
265.06747	0.9
277.07184	0.7
279.06512	0.8
283.06223	2.3
283.09711	0.9
285.07651	0.8
287.05713	0.9
293.04605	2.2
297.07806	0.6
298.04947	0.7
311.05713	6.0
311.09171	1.0
313.07080	2.8
325.10788	2.9
335.11429	0.7
342.10922	0.8
343.11948	1.3
352.09665	1.5
353.10333	7.1
370.10596	100.0
371.10916	10.8
437.16025	1.6
455.17114	44.8
456.17554	6.2
464.30823	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27299	3.9
56.85839	3.9
57.03461	6.7
59.01386	100.0
61.98832	10.1
67.01877	5.2
71.01389	66.2
72.99307	11.7
73.02961	15.3
75.00885	37.9
83.01395	10.6
85.02957	56.1
87.00871	21.0
89.02456	15.8
95.01398	11.8
96.01782	4.4
99.00891	25.7
101.02451	13.4
103.00375	5.9
111.00892	5.0
113.02460	66.3
115.00333	5.6
115.71593	4.3
117.02016	7.7
119.05045	43.7
125.02471	10.2
135.11839	5.4
144.05861	8.0
157.47066	4.0
159.08154	38.3
161.09721	34.8
165.01849	4.5
167.03452	4.9
179.10796	68.0
193.03610	7.7
200.88535	4.3
205.07213	9.8
249.06152	33.4
255.16049	4.5
257.08224	23.7
267.07123	4.2
402.79318	4.0
413.21979	5.3
455.15616	86.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1693
Annotation	Kushenol G
Peak:m/z	Relative Intensity
57.03434	1.1
57.34853	0.7
59.01387	6.8
70.17835	0.8
71.01375	1.4
73.02907	0.9
76.03329	0.8
78.95913	48.5
82.37209	0.9
90.98177	0.8
92.86981	0.9
96.96028	1.0
96.96964	4.2
98.20685	1.8
101.02428	1.0
101.15774	0.7
111.08134	1.5
113.66241	0.8
117.85326	1.0
150.98112	0.9
152.99600	51.5
156.62523	0.8
165.12862	22.7
166.13205	1.3
166.73099	0.8
171.00639	6.8
181.12450	0.8
183.13914	93.7
184.14294	5.1
191.10504	0.8
209.11864	3.5
227.03258	4.7
227.12915	37.2
227.15175	1.8
228.13237	1.6
245.04344	2.1
266.50482	0.9
308.42947	1.0
309.64426	0.9
363.12030	3.2
381.13470	1.1
437.15778	3.3
440.97260	1.0
455.16898	100.0
456.17160	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	455.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22035	1.5
53.85349	1.4
57.03442	3.7
58.00617	1.3
59.01385	31.9
61.98829	1.7
63.81200	1.1
67.01902	1.6
67.61633	1.1
68.99837	1.5
69.60734	2.3
69.61138	5.6
70.16862	1.4
71.01012	2.1
71.01388	27.6
72.99302	6.6
73.02980	1.8
73.51217	1.5
75.00878	27.6
77.31814	1.2
83.01383	1.9
85.02959	30.4
87.00885	12.1
89.02458	6.9
95.01402	9.0
99.00899	17.4
101.02444	1.7
101.06091	75.9
103.00377	3.1
109.79243	1.4
113.02457	43.1
115.00376	3.0
117.01937	6.3
119.05044	12.1
121.02966	100.0
122.03310	3.0
125.02428	2.0
129.01924	4.1
151.85243	1.2
157.01331	2.4
165.01918	1.3
175.02509	7.4
175.03773	1.6
209.06378	1.4
211.69489	1.2
231.05020	2.1
247.19624	1.3
249.06151	4.9
267.09198	2.1
333.11887	12.0
353.08917	2.3
365.38748	1.3
370.10535	1.6
416.69525	1.4
437.14566	2.3
455.15717	80.4
455.26236	3.5
456.15894	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	455.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19014	1.5
55.09667	1.7
59.01381	3.2
60.75274	1.6
68.99564	3.9
71.01386	7.5
73.02955	5.6
78.95906	8.1
79.38673	1.8
80.96359	1.5
82.90861	1.5
84.12688	1.5
85.02942	3.6
87.00894	3.2
89.02452	31.9
96.96005	7.3
98.95612	6.3
98.96455	1.5
99.00916	2.1
99.92622	1.5
101.02431	2.0
103.04026	3.0
105.07260	1.6
106.18869	2.0
110.98528	7.2
112.98622	3.7
125.02463	7.9
129.01942	2.2
131.03529	8.9
139.04068	2.5
149.04567	100.0
150.04912	2.2
167.03392	1.7
177.01865	2.8
305.06708	3.9
391.62271	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	455.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.6
57.03459	14.1
59.01386	13.1
61.98843	9.9
68.99817	1.0
71.01388	5.6
71.55137	1.3
72.99319	4.3
73.02972	1.1
75.00883	2.8
78.95917	4.6
83.01393	2.4
84.02151	3.6
85.02960	100.0
85.20236	0.7
86.03291	2.1
87.00884	2.1
87.11510	0.7
89.02450	1.2
96.96960	1.3
99.04565	0.9
101.02454	2.9
101.06097	7.9
103.00381	1.9
111.00901	1.1
111.04502	0.7
113.02441	1.2
115.07662	0.9
117.03465	1.4
125.02417	1.3
129.01978	10.3
134.03741	1.0
135.04536	12.4
146.82091	0.7
147.03006	10.2
161.02455	1.3
161.04646	1.2
165.01984	0.7
169.08749	1.8
172.70081	0.8
173.00906	1.8
179.03502	4.4
191.02000	54.2
192.02339	2.5
231.08784	6.8
245.96478	0.7
263.14917	1.0
272.73083	0.7
275.07800	3.7
293.08817	35.9
294.09149	2.0
297.07642	1.4
311.05576	1.2
344.01184	0.7
351.05203	0.8
353.06677	1.4
357.08807	1.6
369.06125	1.4
433.13214	0.8
455.09940	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	455.0979
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
59.01383	1.1
71.01391	1.2
71.53487	0.4
71.53841	0.3
75.00874	0.9
78.95914	83.0
85.02959	1.5
87.41052	0.3
89.02460	0.6
93.06948	0.3
96.96973	100.0
101.02413	0.6
101.06115	0.4
119.05048	0.6
125.02463	1.9
129.01968	0.4
138.98038	3.8
161.02493	0.5
167.03448	0.6
169.07881	0.3
177.01913	0.5
184.08803	0.7
188.95670	0.3
198.06781	1.5
199.00154	12.2
206.30865	0.3
212.08305	4.9
213.01714	10.1
213.03784	0.6
241.07346	4.5
255.08902	6.0
256.09274	0.6
264.86096	0.4
294.41150	0.3
455.09753	23.9
456.09933	2.4
478.81171	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.5
61.98838	100.0
71.01378	0.9
71.16869	0.7
74.08050	0.8
77.52098	0.7
93.62450	0.8
95.96548	0.7
98.19894	2.4
104.27588	0.8
117.88253	0.8
119.04179	0.9
119.05045	16.7
120.05364	3.7
145.02959	1.0
151.00319	1.3
163.00388	1.4
171.10233	2.3
187.03708	0.9
198.76305	0.8
201.05504	0.9
209.11795	0.9
239.69321	0.8
274.85776	0.8
286.51889	0.9
297.07736	1.2
298.08127	1.4
339.69254	0.9
365.10345	1.3
369.13049	0.9
454.19623	18.0
455.17419	2.9
455.26245	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	455.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.5
59.01385	1.8
61.98837	1.2
69.01706	0.3
71.01385	0.7
71.54032	0.4
73.02955	0.4
78.95915	5.4
79.95759	2.3
83.01396	0.3
85.02955	2.9
87.00851	0.2
96.45235	0.3
96.96025	100.0
96.96912	4.6
97.95950	0.6
100.36588	0.3
101.02477	0.5
113.02400	0.3
121.03006	0.2
121.05327	0.5
122.86530	0.2
123.44205	0.2
125.02431	0.6
129.01982	0.3
134.98256	0.3
135.04561	0.5
146.06096	1.2
147.06454	0.6
151.07640	0.6
167.03488	0.3
180.57951	0.3
191.01993	1.1
195.06659	2.5
227.08330	0.4
228.08577	0.4
230.80656	0.3
241.09813	0.8
242.10234	0.9
255.11546	0.3
256.11856	0.7
263.15085	0.7
269.12875	0.4
270.13370	0.3
271.14188	0.4
277.53778	0.3
283.06064	0.3
293.09161	0.5
297.07727	0.4
311.05542	0.5
323.05518	0.6
335.16934	0.3
339.04977	0.3
351.05148	0.5
353.06589	1.1
357.08768	0.8
357.12503	0.6
369.06281	1.4
393.20187	0.6
395.19315	0.5
437.19156	0.4
454.20209	1.0
455.09872	0.9
455.20319	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	454.1992
Annotation	Renieramide
Peak:m/z	Relative Intensity
51.43856	0.7
59.01384	7.9
61.98843	7.4
71.01389	3.6
71.55295	0.7
73.02965	1.7
78.95914	2.2
79.95738	1.0
83.01386	1.1
85.02972	3.9
89.39069	0.7
96.96027	30.4
96.96954	1.5
101.02471	2.0
108.00381	0.7
108.14977	0.7
109.05355	1.5
110.06123	2.7
113.02467	1.2
118.06657	4.9
121.05350	7.5
122.06163	4.2
123.06905	3.4
124.07700	0.9
125.02455	0.9
131.03534	0.8
135.04527	5.3
141.95815	0.7
146.06146	21.2
147.06586	0.7
148.07675	0.8
156.06682	1.5
168.06563	1.0
179.05884	1.2
191.02020	1.5
212.10866	1.9
213.10324	1.9
226.07538	3.2
227.08282	16.3
228.08655	0.8
241.09857	26.3
242.10568	7.4
253.09792	1.2
255.11397	14.2
256.11877	1.8
263.15030	2.4
267.11536	1.8
268.12216	4.5
269.13000	8.4
270.13718	3.3
286.13275	2.6
288.11334	1.0
293.09109	0.9
300.11060	4.8
302.12875	4.4
314.12784	2.6
318.12262	1.1
351.29016	0.8
357.08899	1.0
369.06314	1.1
376.16501	0.8
380.19763	2.7
392.19916	8.6
393.19995	1.9
394.19196	0.8
395.19385	1.6
410.20975	2.8
424.18741	1.5
436.18823	6.9
454.19937	100.0
455.09827	2.1
455.20245	14.7
455.26163	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05118	14.0
54.35280	12.2
61.98827	100.0
63.90691	14.3
65.00362	12.3
66.41207	12.2
70.16943	40.8
87.92100	13.4
95.18064	12.7
99.63979	12.7
119.05018	42.1
194.20557	14.3
195.54495	12.3
197.13318	13.6
198.45683	15.0
205.53703	13.4
373.56952	14.1
377.96124	13.3
382.13678	18.6
436.18723	21.3
454.19962	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	454.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
71.54390	8.2
77.79423	7.4
85.83075	7.7
110.54376	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	454.1867
Annotation	Ficuseptine A
Peak:m/z	Relative Intensity
54.46579	1.6
60.33461	1.4
61.38901	1.4
61.98840	100.0
69.95356	7.0
71.94485	1.5
91.70776	1.7
119.05054	3.5
161.22063	1.5
175.07664	3.3
176.08031	3.0
177.05641	2.1
186.03229	2.9
201.05574	2.4
251.12933	12.8
252.13252	18.5
322.15582	2.1
385.39236	1.7
391.18832	2.0
394.07758	1.9
454.19421	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	454.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98844	100.0
62.54075	6.1
63.78806	7.6
69.22836	57.5
96.28352	6.3
130.75150	6.4
134.51512	6.2
178.32286	6.5
378.88861	7.0
454.19748	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	453.2499
Annotation	Epoxycladine B
Peak:m/z	Relative Intensity
53.54277	1.3
57.03432	2.6
58.00594	4.2
59.01384	91.6
60.01725	1.1
61.98822	3.4
71.01387	65.4
72.01746	1.3
72.99317	6.8
73.02973	5.6
75.00887	1.3
78.29917	1.1
78.95921	1.6
83.01401	4.1
85.02959	16.7
87.00856	5.4
89.02452	80.6
90.02814	1.5
91.79684	1.0
95.01384	4.0
96.59151	1.1
96.96007	3.0
101.02454	40.2
113.02456	25.9
115.43933	1.3
119.03511	36.0
125.06082	1.7
131.03537	4.8
134.12962	1.2
135.10406	1.3
136.05276	3.1
138.64154	1.1
143.03484	6.3
149.04573	3.4
149.06067	4.5
151.07663	7.8
152.08450	20.0
161.04613	7.7
165.09203	3.3
179.05624	12.9
179.07079	1.9
203.10815	10.5
215.10701	1.7
217.12347	7.1
218.13074	4.7
224.64754	1.1
271.05505	1.2
273.18661	9.4
276.17163	1.2
291.19675	6.2
301.16608	3.3
370.45819	1.1
435.23907	3.2
438.22372	3.1
453.24988	100.0
454.25275	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	453.2348
Annotation	Tenovin-6
Peak:m/z	Relative Intensity
50.44425	0.6
55.01879	1.5
55.12595	0.5
55.32092	0.5
57.03463	3.0
58.00608	1.3
59.01387	18.0
69.89162	2.6
71.01385	15.8
71.01785	0.8
71.05025	1.0
72.99325	1.8
73.02947	2.6
75.00874	2.7
78.95909	1.6
83.01400	2.4
83.05033	0.7
85.02962	9.9
85.06622	1.0
87.00910	1.2
87.04508	5.2
89.02450	8.2
95.01396	1.6
95.05052	0.9
96.96008	3.4
96.96973	1.9
97.06584	0.9
99.00891	1.3
99.04519	0.8
101.02457	8.7
101.06096	2.9
113.02448	4.9
115.04031	0.8
115.07654	2.3
117.01985	0.7
118.06667	1.5
119.03535	1.6
124.05312	0.6
125.02468	1.0
125.06081	1.0
129.01962	1.3
135.04530	0.6
137.09718	0.8
138.05621	11.5
147.02962	0.5
147.04556	1.2
153.09218	1.9
164.07213	1.9
165.04088	1.1
173.11810	3.3
175.02545	0.6
176.07135	0.6
191.02002	0.8
203.11761	0.6
205.05043	0.7
207.13908	0.6
209.03094	2.1
233.09340	0.7
244.86781	0.5
247.06190	1.6
249.04012	0.9
249.06245	0.8
261.12668	0.9
267.07211	0.8
268.36130	0.7
273.17120	9.0
289.12042	1.6
289.16473	1.0
291.05200	1.4
291.18170	13.6
291.21246	1.0
292.18613	1.0
305.11475	7.2
306.11823	0.8
312.68130	0.6
327.98401	0.6
386.46216	0.7
435.22473	5.7
436.22592	0.7
453.23514	100.0
454.24054	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	453.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02628	4.7
59.01385	100.0
61.98840	57.7
71.01383	50.2
73.02950	24.5
83.01398	11.9
85.02978	24.4
87.00928	6.5
89.02451	16.7
99.00900	5.4
101.02454	41.2
113.02470	20.3
119.03596	5.2
134.01962	4.7
161.04567	18.0
176.64619	4.9
227.12901	6.4
255.16068	14.5
291.18109	11.0
393.48282	5.2
435.18912	5.0
435.24445	6.1
453.12387	7.2
453.22760	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	453.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
61.98854	21.5
69.02078	8.0
71.01389	22.4
71.54465	9.5
73.02943	16.1
75.69559	7.9
85.02953	21.2
89.02449	23.4
96.96022	19.6
101.02457	18.1
105.56603	8.4
113.02457	21.4
119.62202	8.3
135.81992	9.6
149.05992	9.9
156.24152	8.6
169.01378	7.6
248.07770	9.2
249.15013	13.4
254.85037	7.9
257.56601	10.6
393.19073	11.0
411.19940	10.7
453.22989	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20737	3.0
57.03466	4.7
59.01385	100.0
61.98831	9.2
65.61589	3.2
69.21075	32.6
71.01393	23.9
72.99320	4.5
73.02945	6.7
83.89471	2.8
85.02962	19.9
87.04511	19.8
89.02453	21.5
96.96029	3.4
101.02467	11.5
103.04037	32.9
107.43593	3.3
113.02470	10.4
115.71915	3.6
119.03510	11.5
143.09029	3.2
152.08441	3.7
161.04564	3.2
162.03148	3.9
165.09267	4.0
183.27641	3.1
191.01900	4.8
199.04118	4.4
209.08163	3.8
243.03008	3.4
271.02628	25.8
272.02863	4.1
289.63345	3.6
299.01981	51.7
300.02347	3.7
453.24011	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	453.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86963	1.5
57.03458	2.9
59.01385	100.0
60.01710	1.8
61.98851	10.6
63.99285	1.8
69.03421	1.7
71.01389	32.0
71.54635	2.2
72.99322	4.9
73.02953	16.4
75.00887	6.3
80.60960	1.4
83.01417	4.8
85.02958	23.7
85.63583	1.5
87.00886	4.6
87.04543	2.6
89.02458	37.4
91.28295	1.4
91.69888	1.6
93.81380	1.6
99.00893	2.1
101.02454	44.1
103.04023	13.8
113.02455	9.3
115.04047	4.3
119.03488	14.7
120.01429	1.4
121.03018	1.8
125.02467	5.4
127.63462	1.5
129.01924	1.7
131.03510	6.6
143.03522	7.7
145.05058	4.2
163.06145	51.4
164.06458	2.7
165.01910	1.6
178.51901	1.5
179.05650	4.7
192.83463	1.6
203.03481	1.9
205.05174	3.5
205.07140	18.2
209.02998	9.8
217.08682	2.0
229.08885	1.7
247.06175	3.3
247.11806	3.0
249.03998	4.2
265.09299	5.5
278.38660	1.6
289.07330	2.1
291.05151	2.7
302.57986	1.9
368.15045	2.0
393.17630	29.6
394.17929	2.2
453.23386	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	453.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
60.01720	12.0
61.01816	10.3
61.98837	24.3
66.94258	2.2
69.34136	3.3
69.34537	12.3
71.01387	25.3
71.42787	1.9
71.64537	1.7
73.02962	11.1
75.00859	5.6
80.96563	1.7
83.01390	4.7
83.63023	1.6
85.02959	18.9
89.02444	8.9
94.31481	1.7
98.19865	3.8
99.00895	3.6
101.02456	21.3
102.02749	1.8
113.02454	10.0
125.02461	2.5
159.04553	2.1
161.04591	8.6
162.05157	2.2
165.01917	4.0
180.04477	2.1
191.01987	1.7
195.06642	3.4
225.07622	2.4
243.78163	1.7
261.13394	15.5
350.23108	1.7
374.98499	1.8
376.83643	2.0
393.17746	53.6
393.23596	5.1
394.17926	3.3
453.14063	2.5
453.18994	3.5
453.23813	6.0
478.23584	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	453.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	3.0
57.03444	6.5
59.01387	50.0
60.01722	2.2
61.98831	32.3
71.01386	43.7
71.54408	3.4
72.16225	2.1
72.99300	2.8
73.02973	12.3
75.00867	5.0
83.01398	7.6
85.02960	41.2
87.00857	2.4
89.02459	10.1
94.69534	2.3
95.01439	3.1
99.00898	7.6
101.02450	47.7
104.86687	2.0
107.86492	2.2
113.02460	18.1
116.20936	1.9
125.02491	3.6
126.54260	2.4
129.02000	2.5
159.03017	7.1
161.04567	19.6
191.01958	4.4
206.90233	2.1
209.03017	2.3
248.03763	2.3
261.10657	4.8
261.13443	100.0
262.13834	6.6
369.47430	2.1
393.17679	75.6
394.17825	7.9
418.20627	2.7
453.23331	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	453.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98526	1.2
61.98834	7.6
69.03457	1.1
71.01602	1.3
78.51020	0.8
79.05547	1.3
80.02679	2.7
81.03464	1.2
81.07108	1.1
83.01430	1.0
85.06569	0.9
93.03466	1.5
95.01385	1.4
95.05053	2.0
97.06592	2.1
107.05060	2.4
108.02203	0.9
109.02969	1.4
109.06600	2.0
110.00099	1.1
117.03487	1.4
119.05058	7.0
120.05810	0.9
121.03004	1.2
121.06577	1.9
124.05264	1.4
125.06107	2.2
130.04205	0.9
130.70419	0.9
133.06642	2.2
134.03741	0.8
137.02464	1.6
137.09737	3.1
149.09727	2.5
158.03757	1.7
159.04572	5.7
163.04088	1.2
163.07707	2.0
164.04794	1.8
175.07680	22.1
177.05605	8.5
179.07213	1.7
180.07971	1.5
181.08650	0.9
182.31429	0.9
185.02472	2.1
186.03255	17.0
187.03796	1.2
189.12822	2.5
193.08746	2.3
201.05608	13.6
205.05020	1.0
217.08740	4.1
233.11888	5.5
251.12917	100.0
252.13203	7.1
263.07291	1.0
271.06143	1.0
275.12979	9.5
276.13156	1.0
277.10922	1.7
306.12753	2.3
321.14999	6.5
323.12875	2.6
333.15021	3.6
339.12393	2.3
365.14206	1.8
409.20239	2.5
435.18347	1.1
452.48584	1.0
453.19254	35.1
454.14056	0.9
454.19363	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	453.1926
Annotation	1-Hydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-3,6,7-trimethoxy-2-(3-methylbut-2-enyl) xanthone
Peak:m/z	Relative Intensity
59.01368	2.4
61.98799	0.6
68.99832	0.5
78.95918	0.5
80.02691	0.4
83.01482	0.4
85.02958	0.5
96.95999	0.9
97.17397	0.4
98.20612	0.9
109.90678	0.4
111.00899	0.7
115.54784	0.4
117.03464	0.6
119.05050	10.4
120.05328	0.7
136.01668	0.6
136.98822	1.1
137.02428	0.5
137.09729	0.6
145.03020	0.9
149.06134	0.4
149.09761	0.7
149.10938	0.4
151.00403	0.4
158.03749	1.1
159.04498	1.0
163.00374	3.2
163.07657	0.4
165.09279	2.0
173.09726	0.4
175.07643	1.5
177.05608	0.8
185.02455	1.7
186.03235	10.7
187.03595	0.7
201.05606	9.0
205.04990	0.7
205.08746	1.1
225.05557	0.5
231.06578	0.4
249.14964	0.4
251.12981	1.4
269.04556	1.3
282.05396	3.3
295.13229	0.5
297.07712	0.8
321.07700	1.3
322.85745	0.4
323.12888	0.7
337.14471	0.5
351.12537	3.0
352.36618	0.4
365.13815	0.8
379.12106	0.9
391.19254	0.6
435.18399	1.1
438.16895	3.0
439.16779	0.4
453.19232	100.0
454.19574	13.2
454.25900	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01718	1.1
59.01379	1.8
62.55530	1.0
70.76908	2.6
79.01899	13.4
82.03019	0.9
87.60051	1.0
87.72787	1.0
89.51215	1.0
89.75844	1.1
95.01399	4.3
108.02135	1.2
111.00874	5.5
119.05029	13.4
123.00880	4.4
124.01671	42.9
125.02415	3.7
135.00864	1.4
136.01675	2.9
137.02434	2.2
139.00412	1.2
141.05579	1.2
151.00381	36.7
152.01173	19.5
156.00653	6.3
165.01959	10.1
175.07770	1.2
178.99878	9.6
180.00659	52.0
181.01013	2.0
187.04001	1.9
193.01418	6.2
210.06891	7.8
213.09283	1.4
215.10764	1.8
225.09297	2.4
226.06389	1.5
241.05177	3.7
241.08589	1.4
243.06593	3.3
257.08167	3.7
258.08960	1.8
270.05383	8.0
271.06113	4.4
285.07712	40.3
286.08328	7.2
290.07968	4.7
298.04834	1.5
299.05600	7.8
299.12979	1.5
309.66794	1.2
313.07208	66.0
314.07953	59.3
315.08325	4.8
329.06644	1.5
339.12534	3.3
342.25250	1.3
346.06894	10.9
347.07458	1.4
357.13507	3.3
357.60422	1.2
365.13962	1.8
384.12183	100.0
385.12561	9.8
417.05508	1.9
435.17987	2.3
453.19199	62.7
454.19586	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	453.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.5
61.38502	2.8
65.00312	6.7
68.99809	3.4
69.30009	24.5
81.37081	2.6
83.01403	5.4
95.05019	4.7
108.02184	2.8
110.00124	5.5
111.00865	3.8
113.06085	4.6
117.03489	5.1
119.05040	23.2
127.07678	3.7
133.06606	19.5
134.03754	3.9
135.04509	8.1
136.98782	3.9
137.06108	4.9
139.00409	5.2
139.07671	3.8
141.05594	51.3
143.05011	10.7
154.06213	3.6
155.07115	9.5
158.03789	2.9
159.04520	39.9
160.05258	12.5
165.05583	13.7
166.99867	10.1
172.05321	2.7
175.07666	51.0
177.05612	16.9
179.07141	10.7
180.35994	2.8
186.03148	17.4
187.04051	21.2
188.04828	7.9
189.05507	3.6
200.04781	4.9
201.05608	20.4
203.07120	14.3
204.04240	3.5
205.05072	23.9
207.13945	5.6
215.03487	10.2
217.05103	7.9
218.05838	3.1
229.12299	4.8
230.05814	12.0
233.08231	3.9
233.11806	3.4
234.05412	9.4
251.12883	5.7
256.03842	3.6
257.11963	4.0
259.06125	3.2
275.12909	11.1
287.05554	3.9
295.13104	2.8
299.12912	95.0
300.13361	6.3
311.12802	6.3
315.04916	4.6
339.12381	100.0
340.12695	13.4
357.13522	19.9
367.11972	3.2
384.12134	7.4
435.18066	7.3
453.19226	41.8
454.19583	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	453.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	0.9
68.80376	0.8
68.99819	4.3
71.02213	1.6
79.01897	1.3
83.01369	1.9
91.01905	5.7
110.00118	7.8
119.01329	0.9
119.05038	10.0
123.00873	2.6
124.01669	5.1
131.05070	1.0
133.06584	3.6
135.00964	0.8
135.04514	1.9
136.01666	0.9
137.02444	1.1
137.99619	8.3
151.00401	11.3
152.01106	2.6
156.00717	1.4
157.06593	1.6
163.00391	10.4
163.04025	9.9
164.00923	0.8
165.02013	1.7
173.06100	0.9
175.04021	0.8
175.07751	1.1
177.05577	2.6
178.06364	8.7
178.99863	3.6
180.00650	4.4
190.99864	2.6
191.03497	6.2
191.07153	4.5
201.05768	0.8
203.07120	2.0
205.05032	2.3
206.05820	5.5
206.07507	0.9
210.06894	1.2
214.36931	0.8
216.04172	1.2
219.03180	1.1
219.06657	10.5
220.07008	1.2
233.04558	4.4
234.05362	26.3
235.05756	1.7
247.06155	2.8
255.06575	1.4
270.05423	1.3
271.06299	1.2
285.07669	4.7
297.07712	3.8
297.10904	1.3
312.13641	0.9
313.07208	8.1
314.07904	6.0
323.12842	0.9
325.07184	5.8
325.10809	1.7
330.01151	0.8
339.12531	2.0
340.13004	0.9
341.13974	1.9
351.12335	1.2
353.10284	3.7
357.13559	0.9
368.12668	100.0
369.13000	10.4
384.12097	9.6
385.12714	1.2
405.17090	1.1
453.19238	35.3
454.19653	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97550	0.5
64.45749	0.6
65.00348	0.6
66.30099	0.5
67.79102	0.5
68.99853	1.7
79.01924	0.6
83.01398	1.0
89.36714	0.5
91.01918	4.7
93.86053	0.5
98.20695	1.2
107.05077	0.9
110.00119	5.5
111.00906	1.1
115.05600	0.6
119.01422	0.6
119.05038	9.3
123.00922	1.8
124.01701	2.1
132.05748	0.6
133.06628	1.3
135.04535	0.7
135.08282	0.5
136.98840	1.8
137.02472	1.3
137.99593	3.3
139.00414	5.9
141.05594	0.5
143.05072	1.1
145.03072	0.5
147.04512	1.0
149.02534	0.9
149.06102	1.1
150.03273	1.2
151.00395	1.6
152.01175	1.7
153.01942	0.7
156.00673	1.1
159.04480	1.0
163.00391	13.2
163.04005	2.8
164.04852	1.0
165.01965	6.2
165.05617	0.8
165.99129	0.9
166.99907	1.3
175.04057	0.7
176.01144	0.6
176.04854	0.7
177.05592	2.1
178.02673	0.7
178.99983	0.7
180.00693	1.3
181.01367	1.0
184.05568	0.5
187.04028	0.9
187.28996	0.5
188.04837	1.1
189.02069	0.9
189.05594	0.9
190.99905	1.8
191.03499	4.0
192.04210	0.6
193.01447	16.3
193.05151	1.4
194.01968	0.6
194.05939	1.2
195.06636	0.7
201.05597	0.7
203.03551	1.8
203.07202	2.1
204.04318	1.5
205.05064	8.3
205.06818	0.6
206.02194	0.9
206.05727	0.6
207.03059	0.8
207.06689	1.6
218.06009	0.8
219.03036	1.1
220.03787	1.2
221.04633	2.4
222.05315	2.8
223.06129	0.9
229.56705	0.6
232.03740	1.6
233.04564	12.9
234.04860	0.7
235.06163	4.3
243.06511	0.5
246.05446	0.8
249.04091	1.5
250.04875	11.6
263.05695	2.4
271.06174	0.6
273.07755	1.6
282.05402	0.9
285.07562	0.7
292.51462	0.5
297.07721	5.2
297.11105	1.1
299.09280	2.3
299.12537	0.8
300.06485	1.0
301.07324	0.6
310.04788	1.2
311.12915	1.0
312.06500	0.6
313.07489	0.5
313.11020	0.9
325.07202	9.6
325.10867	1.6
326.07587	1.1
327.08810	4.1
327.12268	0.9
328.09341	0.7
339.12387	7.9
340.12640	0.6
341.10312	1.7
349.10764	0.5
353.10172	0.6
355.11972	0.6
356.12766	0.9
357.13474	2.3
367.11874	12.0
368.12231	1.5
369.09625	2.6
384.12180	100.0
385.12555	10.6
435.18170	1.9
453.19217	29.4
454.19754	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	453.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00324	4.2
68.99825	4.5
70.58330	3.0
75.82548	2.0
83.01398	4.4
93.59068	1.7
95.05054	4.5
97.06585	1.6
99.00995	1.7
107.05037	3.2
109.06583	3.1
110.00105	4.5
111.00854	3.6
113.06109	5.5
117.03522	3.2
119.05035	21.4
120.08929	1.9
121.02998	2.3
121.06647	1.8
123.04539	2.8
125.06085	2.0
127.07644	6.5
127.85024	1.6
132.05843	2.6
133.06619	16.5
134.03760	4.4
134.06950	1.8
135.04575	7.6
136.98848	2.6
137.06093	3.0
139.00410	4.3
139.07646	3.7
141.05598	56.8
143.05055	6.0
145.02933	4.2
147.04506	2.0
151.00328	3.4
151.07626	2.8
155.07169	4.4
159.04529	32.9
160.05315	10.3
165.05580	14.3
166.99867	8.0
169.08778	1.7
171.04518	2.4
172.05345	2.0
175.04024	1.6
175.07651	48.7
176.04854	3.2
176.07901	2.3
177.05611	15.4
179.07123	7.1
186.03242	13.4
187.04036	16.7
188.04834	8.2
189.05554	3.0
191.07205	3.5
199.04025	2.5
200.04790	3.3
201.05576	13.4
203.07162	9.1
205.05072	18.2
206.05644	1.8
207.14005	2.5
215.03468	9.2
217.05080	6.2
218.05859	3.1
229.12326	5.3
230.05836	13.6
230.12523	1.8
231.06522	3.5
231.13957	2.3
234.05424	6.1
237.09308	1.7
251.12933	6.1
252.11357	1.8
256.03824	2.0
257.11877	6.8
267.14127	2.4
275.12949	11.1
281.11807	2.9
287.05710	7.9
288.06348	2.9
295.13263	2.2
299.12915	87.7
300.13220	7.0
311.09717	1.8
311.12906	8.4
315.05203	3.7
324.10153	3.6
325.10898	3.8
326.11508	2.9
339.12378	100.0
340.12823	8.5
357.13391	24.9
358.13654	2.3
366.11078	2.2
384.12256	6.7
391.19141	2.2
435.17978	8.3
453.19165	49.0
454.19528	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	453.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40370	1.0
54.95371	1.1
56.85605	1.0
57.03470	1.3
57.47768	1.0
60.08849	1.0
61.04462	1.0
64.74326	1.0
70.86069	2.4
79.05567	2.3
79.87635	1.1
80.02691	2.6
81.03484	1.4
93.03471	3.1
95.01426	2.1
95.05048	1.6
102.99199	1.1
107.05053	2.9
109.06603	3.8
110.00129	1.4
111.00893	1.8
117.03474	4.4
119.04273	1.4
119.05053	16.3
121.02985	3.2
121.06576	1.8
123.00928	2.9
124.01706	1.3
124.93069	1.3
129.05641	1.6
131.05022	1.4
133.06599	5.5
134.03778	1.8
136.05359	2.6
137.02452	1.3
143.05058	1.4
145.02966	2.1
147.04485	1.5
148.01692	1.7
149.02393	2.0
156.23196	1.1
158.03752	3.0
159.04575	5.7
161.06105	1.9
163.04057	2.2
163.07684	2.4
164.04816	20.6
165.05547	2.8
165.09102	1.4
171.04640	1.6
172.05360	1.7
174.03270	2.9
174.06940	1.1
175.07697	4.0
177.05595	11.7
178.06310	2.3
179.07097	1.7
182.05916	2.8
185.02477	4.5
186.03246	31.8
187.03806	2.7
187.07623	1.2
188.04871	1.3
189.05591	4.0
189.09233	4.2
189.12878	3.6
193.08759	7.1
199.07640	2.4
199.11409	1.1
201.05594	19.3
203.07143	1.9
205.05046	4.2
207.13925	1.7
213.05728	1.6
217.08717	23.9
218.09088	2.1
233.11841	22.1
234.12199	2.3
251.12930	43.0
252.13313	2.3
253.05186	1.5
263.07175	7.6
263.10843	1.5
264.11557	2.6
267.13971	1.9
269.15546	1.7
275.07260	1.4
275.12927	17.5
280.11020	1.6
281.08588	1.1
295.13455	2.4
297.14954	1.2
306.12653	2.5
308.10577	5.0
321.15036	3.8
323.12970	24.8
324.13364	4.1
325.11121	1.3
333.15018	31.3
334.15399	2.5
339.12466	10.0
341.13956	5.8
351.16263	1.8
365.13901	2.7
367.11850	6.2
377.14014	1.9
384.12238	1.6
391.19342	2.1
409.20013	5.5
419.14029	1.2
435.18289	2.9
453.19244	100.0
454.19598	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	453.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.1
57.90876	2.5
59.01388	100.0
61.78284	2.5
61.98840	64.9
67.37125	2.6
69.44215	18.1
71.01404	31.8
72.99302	3.7
73.02962	20.9
73.59580	2.6
75.00878	6.7
83.01376	3.8
85.02966	18.5
87.00893	4.2
87.04507	13.3
88.11893	2.4
89.02480	12.0
96.96027	8.2
97.03001	2.7
98.95594	9.4
99.00893	5.8
101.02453	21.8
113.02489	12.9
119.03544	2.7
122.06172	3.1
125.02425	2.7
125.80515	2.9
135.04549	2.8
146.06148	3.7
161.04631	4.0
177.01959	3.5
187.14931	3.6
191.02084	4.6
214.38068	2.9
231.13957	8.0
241.10040	2.9
249.15018	15.0
253.14291	2.5
255.16026	6.1
286.13306	3.7
305.16208	3.7
361.18695	5.9
393.19092	3.9
393.24261	5.1
411.20151	7.3
429.55347	3.0
453.16345	3.1
453.20822	32.3
454.20062	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1926
Annotation	20,22-Dihydro-22,23-epoxywalsuranolide
Peak:m/z	Relative Intensity
59.01365	2.9
65.00320	2.3
68.99577	5.7
69.03476	1.5
69.88702	7.1
74.98062	1.6
93.03458	2.5
95.01390	1.9
96.96016	1.3
109.02979	1.2
110.00077	1.5
112.98573	4.1
117.03467	1.6
119.05037	32.7
120.05336	2.1
123.00837	1.4
124.01685	2.0
125.02361	1.7
134.03790	1.6
135.04553	3.5
136.01640	1.3
136.98853	2.3
137.99599	2.0
145.02966	3.2
145.06638	1.8
151.00385	4.6
152.01184	1.6
159.04544	5.6
160.27931	1.4
161.02487	2.1
163.00397	3.7
164.04784	2.4
165.01978	1.3
171.10315	1.6
171.53813	1.4
175.07686	3.7
177.05669	2.3
185.06154	1.4
186.03236	2.5
187.03896	1.9
187.11337	1.8
188.04851	6.1
191.07327	1.7
193.66798	1.4
197.06055	1.8
198.06908	1.5
201.05626	3.8
202.05666	1.4
203.07158	7.8
205.05101	3.0
207.10301	1.3
217.08751	2.0
225.05594	1.8
225.09169	1.8
226.06393	1.8
227.03645	1.8
255.03003	3.4
267.06604	1.8
269.04596	1.8
270.05453	2.6
271.06186	2.1
281.08176	1.9
285.07761	4.1
285.11288	3.2
297.07794	2.6
298.11230	1.8
313.07059	1.6
314.07953	1.4
321.07666	1.6
323.12918	4.7
325.10837	2.5
339.12457	3.5
341.14075	2.9
343.11926	8.9
351.16037	1.8
355.23181	1.4
377.13980	2.5
384.12094	2.5
395.11081	1.6
409.20020	4.3
421.16763	1.6
435.18161	3.6
453.19275	100.0
454.19806	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	453.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23378	7.4
55.01868	8.8
57.03451	19.0
59.01386	100.0
61.98826	33.9
65.90804	8.4
71.01384	40.1
73.02943	31.4
83.01386	11.2
83.32764	7.3
85.02953	46.8
89.02451	13.8
93.39651	7.3
99.00877	11.0
101.02450	46.1
107.01417	8.4
113.02470	28.6
125.02453	13.6
129.01888	9.5
135.04535	14.1
151.00366	19.5
161.04556	14.0
167.03508	12.2
168.03854	8.7
191.01956	15.0
194.90613	7.6
213.13879	7.8
291.07419	10.9
321.19235	34.7
325.03409	21.6
329.11597	9.8
409.05505	27.8
417.21127	9.0
435.03198	13.3
453.04593	11.9
453.13446	11.2
453.18604	70.1
453.24091	15.7
454.19858	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	453.0345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.4
71.04932	0.9
71.06050	0.3
79.95734	2.1
85.02969	2.8
92.68327	0.3
96.96023	100.0
97.95932	0.4
102.91484	0.3
119.05031	0.8
143.71153	0.4
164.10994	0.3
168.29526	0.4
172.04739	0.5
191.02020	1.3
209.03056	3.8
242.56891	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
62.51417	0.5
62.96407	0.4
64.51231	0.4
69.39407	3.4
70.80409	0.4
76.69798	0.5
78.95914	100.0
96.97013	0.8
98.20693	0.5
104.68172	0.4
108.90208	0.7
110.89930	11.5
110.98546	95.4
111.98902	0.5
113.92294	0.4
147.85863	0.4
184.94296	0.5
197.86487	0.4
217.70436	0.4
241.01489	0.5
294.86581	0.4
305.70657	0.5
329.71555	0.4
341.10736	0.8
453.10092	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64163	0.4
58.55748	0.5
71.01382	0.6
72.77927	0.4
72.99294	0.5
79.95754	2.7
84.31254	0.5
85.02959	1.8
94.00041	0.4
96.96021	100.0
118.80372	0.4
119.05035	1.1
139.92389	0.5
147.03047	0.7
191.02005	0.8
209.03020	1.7
250.17426	0.5
355.06668	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
59.01394	0.4
68.99582	0.3
69.73734	1.7
70.83899	0.3
79.95738	2.4
84.97107	0.3
85.02961	4.2
85.41182	0.4
96.96024	100.0
116.21668	0.3
124.73208	0.3
128.48907	0.3
147.03026	0.5
191.02042	2.6
209.03055	4.6
210.03462	0.4
244.20462	0.3
247.02745	0.5
257.51010	0.3
261.48270	0.3
288.98770	0.4
355.06604	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20687	1.1
52.46131	1.2
57.86055	1.1
59.01392	5.3
61.98837	100.0
65.48427	1.1
70.49053	1.3
71.01400	1.7
73.85011	1.0
76.02908	1.1
76.71088	1.2
84.21341	1.0
85.02951	1.5
89.02420	1.1
93.90182	1.1
101.02425	1.8
105.85265	1.2
121.94343	1.0
125.03921	1.1
165.12860	4.0
183.13910	9.3
191.18535	1.1
227.12907	26.6
228.13409	1.6
251.13057	1.7
285.12662	1.3
298.16803	1.1
389.18225	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	452.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.0
59.01389	100.0
60.01723	12.3
61.01817	6.3
61.98840	46.5
64.03038	0.7
71.01394	7.6
71.54731	1.0
72.01727	0.8
73.02966	2.0
75.00872	1.1
83.01395	1.6
85.02951	3.8
89.02458	3.8
99.00896	1.7
99.03244	0.6
101.02444	5.3
113.02476	3.4
113.52710	0.7
119.03561	1.4
119.60023	0.8
125.02456	1.6
129.27798	0.6
161.04597	3.9
162.04907	1.3
165.01994	2.9
173.96753	0.6
179.03523	1.1
180.04317	1.9
195.06651	2.7
203.38016	0.7
221.22908	0.7
225.07732	1.8
249.06247	1.0
261.13565	2.3
321.15640	0.8
392.23563	2.9
393.17755	6.6
405.15634	1.4
452.12097	1.2
452.22388	2.4
453.19528	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2788
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
69.77054	1.1
71.85677	0.2
73.91390	0.2
78.12425	0.3
78.95914	19.0
79.25633	0.2
80.25117	0.2
86.27043	0.2
96.44328	0.2
96.80199	0.2
98.19823	0.3
115.41747	0.2
119.05067	0.4
122.00130	1.0
122.98567	0.3
124.01656	0.2
124.49818	0.3
140.01222	4.7
152.99606	1.6
158.41743	0.2
159.04477	0.2
196.03816	9.9
214.04875	1.8
255.23315	100.0
256.23660	8.4
256.26370	0.4
299.13055	0.3
339.12347	0.3
357.13611	0.3
383.15216	0.6
452.27878	23.9
453.19250	2.0
453.28116	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15844	0.1
53.89774	0.2
55.01857	0.2
58.02961	0.4
59.01108	0.3
59.01391	3.3
60.01744	0.2
61.98844	1.4
69.59202	0.9
71.01396	1.0
73.02954	0.4
75.00883	2.3
80.05087	0.4
81.03467	7.9
83.05038	23.7
84.05385	0.6
85.02969	0.6
89.02460	0.2
99.00874	0.2
100.07675	0.2
101.02457	0.6
107.06165	0.9
108.04581	0.9
109.06607	0.2
113.02461	0.2
125.02495	0.2
125.07220	2.9
126.05634	0.4
143.08266	1.4
149.99637	0.2
154.68652	0.2
157.13478	0.2
161.04572	0.5
163.05089	0.3
168.00700	0.3
207.15056	2.9
207.16872	0.1
224.17712	4.4
225.16112	11.5
226.16449	0.7
242.18730	1.8
250.15587	0.4
268.16574	0.3
290.22330	0.3
307.23950	0.2
309.21942	0.5
324.26590	1.6
325.27054	0.2
333.22995	3.5
334.23465	0.4
339.27704	0.3
351.24054	0.9
367.27118	1.3
385.28757	0.2
391.23019	0.8
404.12360	0.2
421.41708	0.2
433.31891	5.6
434.32410	0.9
451.32983	100.0
452.33301	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	451.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01717	1.4
61.98832	0.7
66.28749	0.5
71.01387	5.9
73.02960	2.1
78.76823	0.5
83.01389	0.8
85.02968	2.1
85.52422	0.6
88.98811	0.6
89.02449	1.5
99.00912	1.1
101.02452	4.8
104.93309	0.5
111.00879	0.6
113.01756	0.5
113.02443	2.5
119.03513	0.5
133.02983	0.5
154.53485	0.4
159.03030	0.8
161.04576	4.4
184.84154	0.4
220.25055	0.6
235.88493	0.5
242.82361	0.5
391.23389	14.3
392.23871	1.0
435.22253	0.6
451.25827	1.0
462.99411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01720	2.1
61.01814	1.6
61.98834	1.0
67.56962	0.5
69.43318	3.2
71.01396	3.7
73.02956	0.9
83.01414	0.9
85.02950	2.3
89.02477	0.9
98.20608	1.1
101.02443	2.9
113.02469	2.1
125.02494	2.0
126.02851	0.5
127.37668	0.5
136.85918	0.4
156.95834	0.5
159.03040	0.7
161.04576	4.0
229.18164	0.8
261.06635	0.6
262.06155	0.5
270.04907	0.7
289.06866	0.6
391.23505	4.6
392.24100	0.5
451.11658	1.8
451.21872	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	6.0
57.03445	4.8
58.00586	2.6
59.01388	35.0
66.87807	0.6
69.03469	2.1
70.50017	0.8
71.01391	67.4
71.54655	1.3
72.01705	0.8
72.99314	3.2
73.02959	32.2
75.00868	2.1
78.21748	0.7
81.03475	0.7
83.00928	1.3
83.01398	17.7
85.02962	34.9
85.03478	1.7
86.00111	3.4
86.03279	0.9
87.00889	5.8
89.02457	16.2
93.35167	0.8
93.53673	0.8
95.01393	3.8
97.02956	3.9
98.06011	0.7
99.00893	13.9
99.04572	1.0
101.02456	69.3
102.02787	1.3
111.00878	1.9
113.02463	20.8
115.04015	2.4
119.05031	9.3
125.02444	4.7
129.01949	2.6
131.03502	4.2
143.03502	3.3
145.43541	0.7
149.04564	2.6
155.11386	0.8
157.06567	0.9
159.02998	3.9
161.04568	24.5
180.01205	0.9
201.05652	1.2
205.03503	1.1
210.89989	0.7
219.06569	1.6
233.06686	3.4
293.08878	1.4
319.21274	100.0
320.21732	8.0
339.12430	4.7
343.09555	1.0
356.48682	0.8
357.18350	0.8
363.20242	2.1
385.31198	0.8
402.24350	0.8
451.25516	89.9
452.25955	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	451.2132
Annotation	Lespeflorin G3
Peak:m/z	Relative Intensity
54.22652	1.5
57.00714	1.3
59.01385	3.7
65.00311	1.7
71.54407	2.2
89.53253	1.6
119.05051	5.6
133.06631	10.0
161.06161	1.6
190.06458	3.0
201.05583	2.6
205.05087	22.5
218.05847	1.8
233.04568	2.8
243.26337	1.8
256.03717	1.9
267.03036	1.6
269.04395	1.6
309.04330	1.8
321.11011	1.7
324.10172	2.2
339.12427	39.6
340.12650	4.2
352.09702	2.6
367.11884	100.0
368.12250	12.4
382.14334	9.3
451.21350	84.4
452.21716	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	451.2132
Annotation	Lespeflorin G3
Peak:m/z	Relative Intensity
55.77669	0.8
59.01377	1.7
65.00327	1.4
69.36375	3.6
69.36807	3.3
76.37334	0.8
78.95878	0.9
79.05535	1.3
84.08350	0.8
92.17960	0.9
93.03477	0.9
107.05049	1.7
112.52113	0.9
117.03503	0.9
119.05044	24.7
133.06593	3.9
135.00987	1.1
145.02870	1.1
159.04607	1.4
172.05295	1.2
186.03334	1.8
187.07664	0.9
201.01997	1.1
201.05618	5.8
205.04988	0.9
217.12466	1.1
227.07161	1.7
229.59787	0.9
241.12364	3.8
243.06651	2.7
253.47157	0.9
255.17670	1.0
257.11938	1.1
269.08160	0.9
284.10718	0.9
285.11362	7.9
286.11890	1.0
299.12851	1.3
317.13947	7.0
318.14639	1.0
361.10968	1.2
363.12427	2.0
375.19550	1.5
391.19370	2.6
405.17059	3.0
419.18790	13.7
420.19073	1.6
451.21323	100.0
452.21552	12.6
452.27368	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	1.2
65.00285	2.5
68.99777	1.5
70.58814	1.7
83.01335	0.8
93.03413	1.1
95.04967	0.8
109.02979	0.6
109.06544	1.7
116.47614	0.5
119.05038	11.7
121.02863	0.5
124.71737	0.5
131.01299	0.6
131.08539	0.6
133.03012	0.7
133.06606	6.8
144.83685	0.5
145.02808	0.6
149.02458	1.4
149.06068	0.7
151.07600	2.3
158.03705	0.6
159.04497	1.1
161.02481	3.9
163.00310	1.4
164.01157	0.7
173.06093	0.9
175.00386	4.2
175.03891	0.9
175.07599	2.2
176.01128	3.0
176.63460	0.6
177.01894	1.2
181.53749	0.7
186.03302	3.0
187.03893	1.6
189.01872	2.0
189.05516	1.8
190.06271	1.9
197.06204	0.7
199.07480	0.6
201.05579	5.4
202.48421	0.6
203.03378	0.6
203.07112	1.6
204.07896	1.0
215.07068	1.9
217.05060	1.3
218.05800	2.3
219.06630	10.2
225.05637	1.2
225.13754	0.5
229.05003	1.1
229.08719	1.2
231.06552	1.6
232.07399	1.9
243.06639	1.5
245.08067	0.9
251.07184	1.0
253.53896	0.6
256.77478	0.5
257.08160	0.8
264.06363	2.4
269.04303	0.6
270.05310	0.7
271.13553	0.9
273.11292	2.1
279.10254	0.8
283.06122	1.1
285.14743	0.7
295.06097	5.2
296.06506	0.6
309.07913	0.8
309.14886	2.6
310.08667	0.6
310.12250	0.6
311.12839	1.4
318.11041	0.7
323.09402	0.7
325.14328	0.7
338.11557	0.9
349.10822	0.6
353.13965	100.0
354.14340	10.2
391.19241	1.1
407.18655	21.2
408.18948	2.5
451.21353	32.7
452.21872	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	451.2131
Annotation	Lespeflorin G3
Peak:m/z	Relative Intensity
59.01360	1.1
62.23729	0.5
65.30539	0.5
69.95497	3.1
73.57288	0.5
92.28113	0.6
116.02674	0.7
117.03486	3.1
119.05030	4.8
124.42610	0.5
130.04224	0.8
145.02982	1.6
153.01907	0.6
158.03732	3.3
166.02757	1.1
170.03915	0.7
174.76993	0.6
182.03734	2.6
185.02425	3.8
185.48732	0.6
186.03229	8.0
187.11290	0.6
189.01959	0.6
189.05542	0.6
195.04474	0.8
198.03271	1.2
201.05568	0.7
210.03206	6.8
211.03922	2.0
215.03497	0.6
221.08287	1.0
229.05106	1.2
230.05782	0.8
237.01942	6.4
238.02766	8.7
239.03441	1.9
255.06624	1.1
266.02191	14.3
267.02414	1.1
270.05319	2.5
288.06448	1.1
298.04831	8.9
299.05478	2.6
313.07199	67.2
314.07434	5.2
335.09290	0.9
336.09955	2.0
374.07056	0.6
416.67395	0.6
436.19131	3.7
451.21292	100.0
452.21667	13.5
452.26736	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1979
Annotation	Absinthifolide
Peak:m/z	Relative Intensity
59.01387	14.5
61.98811	2.4
69.19627	11.8
69.20045	4.2
71.01396	16.1
73.02952	7.7
83.01404	3.4
85.02959	9.8
89.02469	4.1
98.19793	2.0
99.00900	3.5
101.02454	18.8
107.04996	2.7
108.02150	3.9
113.02474	5.5
114.11073	2.0
119.05052	4.7
121.02979	11.0
122.03759	16.0
123.04539	3.2
135.04500	1.9
143.03525	2.1
150.88237	1.7
159.03101	2.1
161.04565	6.1
165.01949	4.2
175.07648	4.4
177.12878	6.1
201.05624	5.0
207.72974	1.7
219.06641	9.6
221.08325	2.6
245.15501	41.8
246.15768	3.7
252.87146	1.8
253.14534	3.0
271.13440	19.0
275.61545	1.7
288.38959	2.2
289.14539	27.0
290.15195	2.3
319.21344	22.5
320.21671	1.9
390.27402	1.7
397.09552	1.9
451.19824	100.0
451.25626	11.1
452.19998	13.3
452.25525	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	451.1769
Annotation	Ligulacephalin B
Peak:m/z	Relative Intensity
59.01390	2.7
68.99820	3.1
71.54945	1.6
72.81461	1.4
78.95918	2.1
103.08173	1.4
107.05014	2.1
108.02182	1.9
117.03476	1.2
119.05032	13.4
129.93126	1.4
136.32368	1.3
143.05063	2.1
145.02985	1.7
151.97482	3.3
152.99628	1.7
154.04292	1.5
155.05037	4.5
159.03288	1.7
159.04532	7.1
161.02403	2.4
165.05518	2.9
169.06622	3.0
171.04462	2.1
175.04041	1.9
175.07657	3.6
177.05576	4.4
177.85242	1.5
180.04323	12.9
183.04529	4.1
185.02385	2.5
186.03255	20.5
187.03986	4.6
188.04803	4.0
199.03998	5.0
199.07666	1.6
200.04797	1.9
201.05586	17.0
202.06021	2.0
203.03511	2.2
203.07169	6.4
215.03497	12.0
216.04202	3.8
226.02811	1.5
227.03607	4.0
243.02977	2.0
243.06793	2.1
255.23433	6.9
257.04599	1.9
258.05109	2.3
259.06104	2.3
262.04959	1.4
271.02490	4.9
286.04855	4.0
290.86371	1.4
303.40564	1.7
312.10550	1.6
314.92667	1.4
323.09198	6.3
327.12393	18.6
338.11652	1.6
340.70383	1.4
349.07159	4.4
355.11874	15.2
364.09286	6.9
405.16992	4.4
433.16568	8.7
434.17255	3.0
451.17615	100.0
452.17920	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	451.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01133	1.8
57.03478	2.2
59.01376	6.3
65.00331	3.2
69.03455	2.2
69.88529	8.2
71.05032	3.3
73.02937	2.3
78.95930	4.2
79.05540	7.1
83.05022	7.6
85.23624	2.2
91.22649	2.0
93.03486	9.9
95.01382	3.9
95.05017	4.4
97.02943	3.0
101.99346	2.1
106.04248	2.8
108.02172	2.7
109.02946	5.3
109.06602	2.9
111.04536	33.3
111.05262	3.6
111.08205	4.1
117.03506	4.1
119.05054	26.9
121.02956	4.1
124.01669	2.8
131.05029	3.4
132.05814	2.3
133.06635	3.4
139.04018	16.9
143.05023	4.7
145.02972	8.0
145.06580	2.6
147.04573	2.6
148.05344	3.2
154.04289	2.8
155.05057	23.3
156.05823	8.6
159.04480	2.3
161.06143	15.4
171.04523	5.6
171.08209	2.7
173.06158	3.4
177.05620	5.3
183.04549	22.4
183.08105	6.0
184.05234	4.1
187.07600	3.9
188.08318	2.3
196.05194	2.3
199.07661	9.2
201.05627	3.3
209.09833	5.0
211.07716	4.9
215.07108	4.2
221.06157	2.8
223.07751	2.4
223.11208	3.3
224.04851	2.7
224.08475	2.8
225.05544	2.7
225.09224	6.7
235.03726	2.2
236.08282	2.6
237.05544	4.5
237.09219	16.8
239.07101	9.7
241.12291	2.9
243.10269	4.6
244.10974	4.8
249.09361	2.6
251.06915	2.4
251.10846	11.5
252.11580	62.8
253.08701	8.6
253.12062	5.0
254.09555	5.6
256.78018	2.2
258.08896	2.6
265.05124	3.9
265.08875	2.3
267.10788	2.4
267.13928	69.3
268.11053	4.8
268.14337	5.3
269.11908	8.3
277.08664	3.4
277.12396	2.8
278.09555	5.1
279.06747	3.4
279.10263	8.1
280.07077	2.8
280.11044	4.0
281.08237	3.2
281.11966	3.0
283.13416	2.5
286.12143	23.8
293.11862	5.6
295.09808	3.3
295.13467	6.2
305.11865	8.7
305.15125	3.9
306.12570	2.7
306.16159	2.2
307.09738	7.8
307.13110	2.4
308.10599	2.4
311.12976	7.8
320.10501	3.7
321.11411	3.8
321.14975	3.8
321.18604	3.2
323.12900	5.7
335.12900	6.7
335.20056	2.7
336.13501	3.4
339.12299	4.0
339.95032	2.5
348.17029	3.6
349.14386	9.4
361.29480	2.3
363.19724	2.8
365.17545	5.2
379.19232	6.0
389.17593	7.4
392.16284	8.0
407.18655	100.0
408.19101	10.5
421.20450	2.9
423.18204	8.2
451.17706	68.5
452.17865	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	451.1767
Annotation	Derrichalcone
Peak:m/z	Relative Intensity
51.96093	0.6
59.01395	1.1
65.00339	0.8
65.93579	0.5
67.01910	0.5
68.67092	0.5
68.99832	1.2
71.17116	0.5
91.76344	0.6
93.03476	1.3
97.06593	0.5
109.06625	1.0
117.03498	1.8
119.05046	100.0
120.05379	4.5
121.03046	0.6
123.04547	1.1
133.06523	0.9
136.05368	0.7
137.02515	0.7
139.04129	0.6
143.05051	12.8
145.02977	1.0
145.06587	0.9
151.00391	1.2
161.06097	1.6
163.07637	0.9
165.01953	2.0
165.05602	1.0
175.11285	6.3
176.11562	0.6
177.01964	2.8
187.04037	7.4
187.11488	0.8
189.05632	1.4
191.03542	1.2
191.10820	7.3
199.11305	1.3
203.07120	0.7
205.04999	1.2
207.06570	0.7
215.10791	0.9
217.12305	3.2
219.06749	0.5
219.13884	0.6
221.08188	0.6
229.12210	0.6
230.05984	0.5
231.14026	0.7
233.04594	1.9
234.05351	2.0
235.06146	1.0
235.13423	1.5
259.13257	0.6
261.11246	0.9
303.12369	0.8
305.13947	2.0
311.09470	0.8
321.07687	1.1
323.12906	1.4
331.12018	2.1
338.07962	0.7
354.11087	3.6
407.14905	4.6
415.02240	0.6
433.16461	0.7
451.17661	73.0
452.17953	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	451.1766
Annotation	Derrichalcone
Peak:m/z	Relative Intensity
56.06256	0.5
59.01375	0.6
65.00332	0.6
68.99812	0.5
70.95381	1.2
83.01425	0.5
93.03465	1.2
95.01391	0.6
97.06590	0.7
107.01398	0.9
107.05004	0.5
108.02199	0.6
109.06590	1.2
119.05040	100.0
120.05376	4.2
123.00918	0.9
123.04547	1.8
132.05846	0.7
133.06599	0.8
136.05313	1.3
139.04021	0.8
143.05026	6.2
145.02931	1.0
147.04539	0.8
149.02399	0.6
151.00409	2.9
159.43224	0.5
161.06084	1.8
163.00378	0.7
163.07648	0.9
165.01944	0.9
165.05582	0.5
167.13658	0.5
175.11316	4.3
177.01875	2.9
187.04045	4.4
187.11275	1.5
189.05585	1.0
191.03479	1.0
191.10791	8.2
199.11314	2.1
205.05145	0.9
215.10719	1.3
217.12328	1.5
219.13913	0.6
233.04556	2.2
234.05344	2.0
235.06003	0.6
235.13359	2.3
237.97575	0.5
243.10281	1.2
261.11365	2.6
287.12714	0.6
305.13879	1.6
311.09229	1.1
331.11899	2.1
339.12534	1.5
353.10400	0.9
354.11194	1.5
382.10510	0.7
407.14908	3.6
408.15240	0.7
451.17642	59.1
452.17963	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	451.138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.0
59.01385	100.0
60.01732	2.0
61.39082	0.7
61.98839	22.1
69.45486	5.2
71.01392	8.7
73.02975	2.5
83.01395	1.5
85.02967	6.6
87.00928	0.7
87.23067	0.7
89.02441	4.2
93.70699	0.7
96.96064	1.1
98.19904	1.4
99.00861	1.0
101.02457	7.1
103.70332	0.7
113.02467	3.1
119.03529	1.4
125.02468	1.1
131.03572	0.8
135.04503	1.8
135.96480	0.8
143.03578	1.0
161.04559	5.8
165.01935	1.1
167.03571	1.1
169.04105	0.8
175.39037	0.7
177.01892	0.8
193.01497	0.8
194.01949	0.8
196.75368	0.7
199.13606	0.8
204.86542	0.7
211.40875	0.7
258.41037	0.7
289.07114	0.8
331.07336	1.4
361.18958	1.8
389.18295	3.3
391.01343	0.8
391.23648	5.3
433.21078	1.2
451.22144	7.0
451.29355	5.3
452.30081	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.125
Annotation	Curculigoside B
Peak:m/z	Relative Intensity
57.03460	3.6
59.01390	11.3
61.98842	1.9
63.11069	0.5
71.01392	3.2
71.54077	1.0
73.02962	1.7
75.00865	1.6
77.55069	0.6
78.17738	0.6
79.33331	0.5
81.03468	7.2
83.01387	9.7
85.02976	3.0
89.02452	1.8
99.00911	1.3
99.04513	0.7
99.23855	0.5
101.02455	3.2
109.02966	5.9
109.85625	0.6
111.75629	0.5
112.32738	0.6
113.02479	1.3
114.05608	0.6
123.04546	34.8
124.04830	1.1
125.02463	38.1
126.02812	1.5
135.04544	3.3
145.03012	0.8
149.02432	2.5
149.04509	0.7
151.00383	1.8
159.06226	0.5
161.04584	1.6
161.05974	0.5
163.04057	0.8
165.01967	1.5
167.03517	100.0
168.03915	4.9
177.01881	0.8
179.03514	2.5
180.04077	0.6
183.57578	0.6
185.06119	0.6
187.03996	1.1
189.01942	0.9
191.01979	0.8
191.03531	1.5
195.06621	1.1
203.07187	0.7
217.01460	1.7
225.07907	0.6
227.07095	1.1
245.08264	2.9
271.06174	5.3
271.15707	1.3
289.07224	73.6
290.07578	6.9
303.21857	1.5
309.82632	0.6
341.06476	0.8
357.06277	1.8
391.23563	3.0
406.28168	1.0
407.28598	0.9
451.10669	0.7
451.25555	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	451.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.8
59.01384	24.6
60.33136	0.9
61.98837	14.0
67.01920	1.0
71.01389	10.6
71.55160	1.7
72.99310	2.0
73.02945	3.6
75.00902	5.9
81.03463	3.1
83.01405	3.3
85.02965	11.6
87.00891	2.1
89.02460	5.5
93.03480	8.2
93.55755	1.0
95.01401	2.2
96.96024	14.0
97.02956	2.8
99.00880	2.5
101.02469	7.9
105.03519	1.3
109.02965	37.9
110.03304	1.5
111.04541	5.8
112.02266	1.1
113.02428	5.6
117.03505	3.6
119.03471	1.1
119.05054	3.3
121.02969	2.2
123.00887	3.4
123.04507	4.3
124.01662	1.7
125.02460	28.9
129.01935	1.2
129.96628	0.9
130.87776	1.3
131.03569	1.2
133.02974	5.8
134.03752	1.8
135.04506	2.0
137.02441	6.5
139.04037	22.8
145.02966	8.2
147.04504	2.0
147.71791	1.2
149.02443	1.9
151.03990	2.1
161.02502	7.5
161.04567	2.8
161.05977	1.3
162.03169	1.3
163.00362	1.6
163.04060	1.5
165.01964	3.3
166.02716	1.4
167.03528	12.4
172.25719	1.1
173.02477	2.2
175.04054	1.4
176.01210	2.5
177.01955	43.4
178.02284	2.4
179.03452	3.5
187.02481	1.1
187.03960	2.4
189.01949	73.4
190.02586	8.0
191.01990	2.3
191.03491	7.7
201.11310	1.5
203.03490	6.6
207.10223	1.2
216.00661	13.1
217.01430	83.9
218.01846	5.6
219.02994	9.7
229.05067	5.4
231.02991	12.2
232.03548	2.4
233.04555	4.5
241.05067	7.8
243.06532	1.5
255.06644	1.6
267.06714	1.5
269.04578	7.1
271.06195	7.9
281.04520	2.3
283.06155	13.8
287.05777	5.1
289.19974	1.4
299.05652	2.2
303.21756	1.3
305.06775	7.8
311.05637	54.3
312.06015	5.0
313.07187	2.5
321.03970	2.2
325.07156	2.6
325.60840	1.9
339.04947	1.8
341.06705	24.3
342.06903	2.2
357.06189	100.0
358.06497	10.4
391.23227	3.8
407.28488	2.2
433.09732	1.2
433.24545	1.5
451.10306	53.9
451.16605	19.6
451.25409	17.1
452.10577	6.6
452.16467	2.0
452.25320	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	450.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73100	1.1
57.03432	1.5
58.99619	1.4
59.01391	9.6
63.96247	3.5
68.34234	1.2
69.44253	4.8
69.44679	4.2
71.01394	9.4
78.27037	1.4
78.98605	9.3
82.02988	4.4
85.02984	2.5
85.04092	34.6
86.02507	1.2
87.05659	9.3
88.04037	7.2
89.02457	2.3
95.05040	1.2
96.96043	2.7
97.02914	1.4
97.04078	2.0
97.52551	1.3
98.19909	2.7
102.00188	4.2
102.05616	3.7
103.92038	1.2
107.06199	1.7
109.02969	2.4
109.04108	2.6
111.01984	1.7
113.02485	1.6
119.02882	2.8
120.35654	1.4
123.04536	3.7
124.04897	1.8
125.02478	4.1
127.05151	7.9
128.03557	93.1
129.03925	1.5
135.05659	6.0
137.02478	1.7
145.06226	2.4
146.04625	2.2
149.02483	2.1
150.02859	1.7
151.03944	1.3
152.08331	4.6
153.06715	2.3
157.06206	52.0
159.07762	3.1
161.02477	1.3
166.06218	2.3
167.03452	3.5
170.09398	1.5
171.07840	2.0
174.02364	10.7
178.06203	3.8
179.04614	5.7
184.04913	1.8
184.07355	1.8
191.01706	1.4
191.05008	3.2
194.01530	1.5
196.07254	13.0
197.05667	2.0
214.08330	1.5
220.83441	1.5
224.10541	1.8
242.11531	2.0
243.06664	1.6
244.07010	4.0
248.07077	1.9
251.35985	1.2
260.06531	2.0
268.09500	5.9
286.10495	16.5
289.07175	4.6
301.07495	1.3
302.07935	7.8
305.40570	1.3
320.09238	100.0
321.09644	5.0
329.06909	2.2
330.07004	6.4
332.08942	1.5
346.10782	5.1
359.07834	1.8
360.08218	2.3
450.10410	2.7
450.16138	12.9
451.21967	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	450.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.8
59.01388	76.6
60.01715	7.8
60.99308	1.3
61.01814	4.1
61.98839	100.0
69.72265	4.6
71.01384	7.8
72.01694	1.0
73.02967	2.0
74.62501	0.9
75.34303	1.0
83.01407	1.3
83.44111	0.9
85.02960	4.2
86.03332	1.2
87.00890	1.0
88.98832	9.8
89.02457	3.2
94.09541	0.9
98.20688	1.0
101.02470	4.0
103.02856	1.0
113.02480	2.7
114.02795	1.0
119.71170	0.9
133.02965	1.9
134.03305	1.7
135.03441	0.9
155.10869	1.0
161.04559	4.4
162.04935	2.0
167.03548	1.0
182.15297	0.9
198.03752	0.9
209.15448	0.9
227.16675	1.2
228.16907	2.5
286.04190	1.6
287.04477	1.5
288.04977	1.3
298.04651	2.4
299.05063	3.3
300.05426	4.2
301.05988	3.5
302.06509	3.2
319.21277	1.7
327.05252	1.1
328.05557	8.0
329.05551	5.6
330.06027	13.9
342.05801	1.3
358.06516	2.8
359.06769	2.6
360.07126	10.7
387.16782	1.3
389.21759	1.0
390.08548	0.9
390.22021	4.9
401.48584	1.0
432.09229	2.1
450.10202	17.9
451.21967	9.8
451.28448	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	449.276
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
55.01877	1.3
57.03439	1.4
58.00614	0.6
59.01385	13.1
61.98833	4.9
64.12534	0.3
67.01889	0.4
69.03472	0.4
69.38609	2.9
71.01387	10.7
72.99312	1.2
73.02944	3.3
83.01399	3.2
85.02958	5.5
87.00881	2.4
89.02455	2.4
89.95045	0.4
93.03472	2.2
95.01392	1.3
97.02938	0.5
99.00897	1.3
99.08158	0.7
101.02451	6.7
111.00913	0.8
111.04491	0.4
112.01672	0.4
113.02454	3.1
119.03530	0.7
123.01413	0.3
124.07659	0.7
125.02469	0.5
129.01907	0.5
130.60284	0.4
134.03755	0.3
141.12823	0.8
149.04504	0.4
161.04529	0.8
173.04570	1.2
178.77350	0.3
179.77313	0.4
221.19144	0.8
221.58147	0.3
269.21243	2.4
270.01291	0.4
279.12036	0.4
285.20728	0.5
287.14001	2.8
287.22299	23.3
288.22696	2.9
301.20233	1.3
301.23495	0.6
304.57474	0.4
317.19684	1.8
329.05673	0.6
329.15158	0.5
329.23462	0.6
360.31024	0.4
392.33246	0.4
431.26431	3.5
432.26758	0.5
449.27594	100.0
450.27988	14.3
450.32684	0.3
450.34384	0.5
464.96942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	76.1
59.22754	53.0
70.93423	98.4
70.93765	100.0
96.96059	57.0
127.12913	54.0
130.74411	57.8
131.39050	56.2
150.98051	65.3
274.76678	64.6
279.98895	55.5
361.37723	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81351	0.8
59.01382	6.3
61.98842	1.5
63.00567	0.8
63.76504	0.7
68.99566	0.9
70.66470	2.2
78.95914	9.9
93.03465	0.8
96.96021	2.2
96.96975	1.5
116.92861	1.2
117.03455	1.4
121.02965	1.5
131.45430	0.8
133.02972	22.8
134.03799	5.0
135.04541	32.2
136.04893	1.1
137.02477	4.1
152.99609	18.5
161.02460	100.0
162.02812	3.8
176.90370	1.0
179.03510	11.0
207.10292	2.3
223.26759	0.8
264.85910	0.8
287.22330	11.7
288.22653	1.5
327.04489	1.0
335.12711	1.6
357.94400	0.8
367.16135	0.8
431.24475	3.1
449.25531	75.6
450.25659	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	449.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03449	1.2
58.00593	0.3
59.01389	12.4
59.06649	0.3
59.24828	0.3
60.01702	0.3
61.98848	0.5
62.40952	0.2
69.03447	0.3
70.51368	0.5
71.01392	11.8
72.99316	1.2
73.02959	3.1
75.00883	0.8
77.84281	0.2
81.03460	0.3
83.01397	2.4
85.02967	6.7
86.00130	0.7
87.00891	1.6
89.02461	3.2
93.03455	0.6
95.01395	0.9
97.02940	0.3
98.20584	0.3
99.00886	1.6
99.08170	0.6
101.02456	6.6
111.00893	1.1
112.01653	0.4
113.02463	2.8
119.03527	0.7
119.05058	0.4
125.02445	0.7
126.68644	0.3
129.01935	0.5
129.09225	0.5
129.96625	0.2
133.03088	0.3
135.04533	0.3
139.11307	0.3
141.12880	0.7
149.04608	0.3
161.00952	1.1
163.04034	0.4
172.48817	0.2
173.04588	0.3
177.02048	0.3
191.01941	0.4
191.05612	0.5
204.07622	0.3
211.13420	0.3
212.29984	0.3
221.19177	0.4
241.21660	0.4
265.18106	0.3
269.21194	2.8
270.21777	0.4
279.38431	0.3
285.20670	0.7
287.22302	31.7
288.22687	2.7
301.20331	1.5
301.23709	0.4
311.22903	0.3
328.05576	0.4
329.05765	0.7
329.23563	0.4
359.06537	0.4
389.21875	0.4
431.10168	0.3
431.26611	2.0
449.27628	100.0
450.28024	12.8
450.34485	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49481	0.4
57.03464	0.5
59.01388	100.0
60.01728	1.4
61.98834	0.9
62.67211	0.4
69.63237	2.6
71.01400	2.4
73.02961	0.4
77.06929	0.4
85.02974	1.8
85.78623	0.3
87.00951	0.5
89.02479	1.2
99.00896	0.4
101.02463	2.0
113.02467	1.3
117.03453	0.6
119.03576	0.7
125.02483	1.1
135.04547	0.7
158.64711	0.4
161.04575	1.3
179.63029	0.4
206.75909	0.4
207.93048	0.4
229.44026	0.4
243.47748	0.4
247.99345	0.4
269.04715	0.4
285.04019	0.6
286.04211	0.9
287.04865	0.7
327.05322	0.9
329.05756	1.0
389.21863	5.6
390.22165	0.6
403.70834	0.4
433.20712	0.4
449.10303	1.3
449.24057	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.4
59.01387	100.0
60.01729	1.0
61.98846	2.0
71.01385	3.8
73.02955	0.8
75.00919	0.8
83.01417	0.7
85.02953	4.6
87.00904	0.6
89.02448	2.3
93.03482	1.0
95.01414	0.7
101.02462	2.4
113.02483	2.0
117.03481	4.8
119.03540	0.8
121.02922	0.4
125.02473	6.3
135.04562	0.8
143.03580	0.8
147.02997	0.6
149.02458	1.3
151.00479	0.6
155.10925	0.9
161.02481	1.0
161.04491	2.6
167.03558	1.7
187.07703	0.6
191.02025	1.0
193.01442	2.9
227.16568	0.5
269.04556	2.7
284.03506	0.7
285.03961	1.6
286.04248	1.6
287.05093	1.9
307.45593	0.5
329.05859	0.9
385.42471	0.6
389.21735	4.6
389.25790	0.5
390.22638	0.8
449.10187	2.8
449.15887	0.8
449.28244	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67089	0.6
55.01904	0.7
57.03452	1.3
59.01387	100.0
60.01715	1.8
61.90070	0.6
61.98843	2.1
71.01390	15.0
72.99332	1.7
73.02955	4.5
75.00890	1.3
80.88802	0.7
83.01401	1.7
85.02959	9.4
87.00903	0.9
88.72629	0.6
89.02454	4.4
93.03477	3.1
95.01435	1.0
97.02934	0.9
99.00905	1.9
101.02451	8.9
103.32021	0.7
111.19798	0.6
113.02457	5.7
117.03542	1.2
119.03546	2.0
123.04534	0.7
125.02449	3.8
129.01962	1.2
133.02989	0.8
134.03798	0.7
135.04546	0.8
143.03510	0.9
147.02966	0.8
149.02490	1.3
151.00447	0.8
159.03044	2.1
160.01768	0.9
161.02475	2.0
161.04570	13.7
162.05222	0.6
164.02873	0.7
167.03539	2.2
173.04547	2.1
177.01958	0.7
185.03203	0.7
191.02069	0.8
191.05609	1.0
193.01346	0.7
227.16721	1.2
269.04761	0.8
275.09363	0.9
285.03836	0.9
287.04709	0.9
287.18759	2.5
287.22363	2.4
299.05466	0.7
309.36194	0.6
329.05884	1.0
369.09970	0.9
389.21899	12.8
390.22064	1.1
405.11993	0.9
449.10690	2.0
449.27859	11.1
450.28159	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83283	0.6
55.01863	1.1
57.03452	3.6
58.00594	1.7
58.96172	0.8
59.01387	100.0
60.01712	1.3
61.98824	2.2
69.26138	4.1
69.26553	2.8
71.01393	25.2
71.78412	0.7
72.99314	1.5
73.02946	1.7
81.03446	0.9
83.01407	2.3
84.02166	0.7
85.02961	29.4
85.70586	0.6
87.00887	2.9
89.02457	37.8
95.01348	1.0
98.19978	1.8
98.86810	0.7
101.02450	15.2
104.05192	0.7
113.02465	10.2
119.03517	14.3
123.04552	8.2
125.02423	1.5
129.01971	1.7
131.03517	1.7
139.11278	0.8
143.03519	4.6
147.02989	2.7
149.04564	1.6
161.04541	6.7
179.05650	11.2
191.02010	6.4
207.10237	5.2
209.03035	7.7
213.09247	5.0
218.08931	0.8
241.89799	0.8
257.08246	9.8
269.04758	1.8
299.04895	1.4
325.00546	0.9
327.05136	1.5
328.05084	1.5
329.05710	4.2
335.71899	1.0
359.06784	1.3
389.21722	5.7
449.10318	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	449.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.6
57.03447	1.6
59.01390	100.0
60.01701	2.6
63.16403	1.1
69.37695	4.2
69.38123	4.9
71.01388	25.2
71.05030	1.0
72.99313	1.1
73.02969	9.0
83.01395	4.3
85.02956	13.4
87.00867	1.1
89.02457	9.8
99.00883	3.1
101.02464	27.7
107.87223	1.2
113.02472	14.4
119.03503	3.6
125.02455	1.1
126.09743	1.2
143.03479	3.1
147.11771	1.2
159.03023	3.3
161.04579	28.8
162.70201	1.0
164.76280	1.1
179.05646	3.8
183.99315	1.4
197.15466	1.4
227.16505	7.7
228.16925	1.2
389.21875	31.4
390.21982	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	449.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.7
58.00618	0.5
59.01387	100.0
60.01729	1.2
61.98837	3.9
69.17010	0.4
69.42455	3.6
71.01390	8.7
72.99326	0.9
73.02982	0.6
75.00883	0.5
81.03468	0.8
83.01402	0.9
85.02959	3.0
87.00889	0.9
89.02459	14.7
89.39815	0.5
93.03494	1.8
95.01410	0.8
95.05040	0.7
96.96028	0.5
99.04581	0.7
101.02464	5.2
107.01400	0.9
109.02995	2.1
113.02456	3.7
119.03503	6.1
121.02995	2.2
123.04562	1.0
125.02453	7.8
125.03333	0.6
128.03592	0.6
131.03511	0.8
135.00908	0.9
135.04544	1.3
137.02545	0.5
143.03534	1.6
143.04999	0.7
149.02568	0.7
149.04643	1.0
151.00403	2.3
153.01974	0.8
161.04610	2.5
161.05807	0.5
165.01964	2.2
165.05531	0.7
166.39876	0.5
167.03551	0.8
172.05350	0.5
173.06142	1.1
177.05640	0.4
178.99893	2.2
179.05620	5.3
179.07047	0.6
185.06152	0.5
193.01404	0.8
213.05383	0.5
215.07266	1.6
227.03488	0.5
229.05144	0.9
243.06636	1.1
249.06128	0.6
257.01880	0.9
257.04572	16.4
258.05042	1.3
259.06113	11.5
259.08734	0.7
260.06393	1.1
283.06250	2.3
287.05634	9.8
287.08807	0.8
287.14368	0.7
288.06366	0.6
301.07275	0.9
329.06635	0.7
389.21985	1.5
419.09772	1.0
421.05933	0.5
421.11728	2.1
449.11035	9.5
449.15979	0.6
449.20444	1.6
450.11441	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.9
59.01390	100.0
60.01720	1.1
61.98829	2.6
65.55814	0.8
69.35220	7.1
71.01394	12.3
72.99369	1.0
73.02959	2.0
75.00876	0.9
83.01408	1.6
85.02961	8.3
87.20388	0.9
89.02460	11.6
101.02449	8.9
113.02486	6.0
119.03496	6.3
122.54511	1.0
123.04484	0.9
131.03578	1.0
133.02965	1.3
137.10909	0.8
143.03511	1.4
149.04539	0.8
155.10796	1.2
161.04594	6.6
179.05682	5.1
199.09787	2.3
203.00131	0.9
249.06224	1.5
278.40811	0.9
286.04327	1.5
287.09253	1.6
299.04868	1.2
300.05560	1.0
301.06439	1.0
304.90161	0.9
327.05222	1.6
328.05551	1.6
329.05774	6.9
359.06693	2.9
389.21820	31.5
389.26675	1.9
390.22079	2.6
449.09793	4.5
449.16592	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	449.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47628	0.7
55.10064	0.7
57.03461	2.1
57.22236	0.7
59.01387	100.0
60.01720	0.9
60.42109	0.7
71.53416	0.8
75.66426	0.7
85.03005	0.8
97.02875	0.7
109.02987	1.2
113.02454	1.0
117.58788	0.7
117.85108	0.7
121.02985	1.8
122.02502	0.8
123.04550	1.8
124.01729	0.7
125.02461	13.8
126.02841	2.9
130.87415	0.8
137.02475	0.7
139.04024	1.0
144.09550	0.7
147.04613	1.6
148.50029	0.7
149.02489	4.9
161.02516	0.9
164.04817	10.7
164.07184	2.8
165.01949	1.9
165.27071	0.7
167.03561	3.1
177.01918	4.4
178.02333	1.1
179.07166	22.7
180.07550	1.2
227.09265	10.2
243.06580	1.0
245.43562	0.9
287.05414	1.1
289.07059	0.8
290.07654	0.8
305.06830	1.2
306.07172	0.7
422.87091	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80913	0.3
54.75633	0.3
56.15426	0.3
59.01387	2.5
61.98818	0.3
71.01373	0.5
74.58818	0.3
78.95911	54.5
79.64657	0.3
81.56383	0.3
88.79354	0.3
96.96017	0.5
96.96970	6.1
98.19896	0.8
116.92894	0.3
117.73810	0.3
119.81576	0.3
144.56453	0.3
150.98051	1.4
152.99600	100.0
153.99948	1.7
161.02423	0.6
171.00682	4.8
229.09206	0.3
295.22827	0.7
329.05695	0.5
449.23132	10.9
450.23462	1.3
473.50821	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36425	0.6
59.01383	2.5
67.72962	0.6
93.03461	1.6
98.19907	1.8
109.06609	1.1
117.03513	0.7
119.05048	100.0
120.05370	3.9
145.02980	1.6
148.51793	0.6
161.84323	0.5
196.63504	0.6
199.78786	0.6
213.09154	0.8
227.14378	3.7
228.22301	0.6
251.16791	0.6
271.13437	17.1
272.13727	1.3
285.15024	1.0
289.14468	9.0
290.14948	0.8
329.06110	0.8
362.55515	0.5
391.19196	84.9
392.19485	9.6
425.13818	0.6
449.14258	1.1
449.19788	1.5
473.77231	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98864	0.6
59.01376	2.7
71.54343	0.9
82.22412	0.6
93.03477	0.7
97.02985	0.6
119.05042	89.2
120.05357	3.2
130.04277	2.8
143.05060	2.0
144.05833	1.0
145.02931	0.9
145.06616	2.9
151.58510	0.6
157.06589	1.8
159.04504	1.5
159.08200	2.5
161.02446	0.8
171.08109	0.6
187.04056	2.1
190.06314	0.9
201.05559	2.1
202.06393	0.6
206.33067	0.5
211.11403	0.6
227.14400	4.1
228.92781	0.6
267.06686	2.0
271.13422	23.2
272.13809	2.0
280.23874	1.0
289.14496	16.4
290.14825	1.1
346.24356	0.5
391.19189	100.0
392.19507	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	449.15
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86488	0.7
59.01384	4.8
59.92558	0.7
65.00355	0.8
70.42297	0.7
71.01401	1.0
74.87107	0.8
91.01911	28.7
95.49560	0.7
98.20655	2.5
109.02962	0.8
132.05841	13.4
133.06627	4.2
135.00906	49.7
145.06619	1.9
149.02498	1.0
153.01958	23.7
164.04829	10.2
176.20560	0.9
180.00568	1.5
214.50290	0.7
217.83934	0.9
229.21933	0.9
248.14568	0.7
255.17580	52.2
256.17941	3.5
267.06680	1.8
279.06717	0.9
343.56207	0.9
391.19202	100.0
392.19485	13.8
395.71805	0.9
413.17627	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1095
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
57.03445	0.7
58.11010	0.5
59.01386	41.8
59.55177	0.5
60.01726	0.7
61.98839	2.4
63.02411	2.0
65.00330	10.8
69.50760	2.1
69.51189	1.9
71.01381	2.8
73.02972	1.3
75.00915	0.6
83.01382	4.4
85.02972	4.3
88.37118	0.5
89.02453	1.6
92.73418	0.5
97.01720	0.8
101.02451	1.3
104.81654	0.6
107.01408	18.3
109.02976	2.0
113.02458	2.0
114.71540	0.5
119.03523	0.5
123.92560	0.5
124.07677	5.7
125.02483	5.6
133.02966	0.9
134.03743	1.1
135.04543	69.5
136.04863	3.6
150.56281	0.6
150.92564	0.6
151.00385	100.0
152.00735	3.5
159.04539	0.6
161.02441	1.7
161.04556	1.2
164.01201	0.9
169.01418	1.1
182.75465	0.6
191.02036	0.6
225.05359	0.5
243.15100	0.7
269.04675	1.3
285.04034	1.5
286.04330	1.7
287.05646	70.3
287.14032	8.9
288.05963	5.5
297.09824	1.0
300.06293	0.7
301.15689	0.7
327.05225	0.6
328.05566	0.7
329.05750	2.0
329.15088	1.1
359.06799	0.7
389.21790	2.2
449.10846	21.4
449.28134	1.3
450.11270	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	449.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38565	1.0
57.03448	5.8
59.01386	76.6
61.98546	1.5
61.98837	23.0
63.02409	3.0
65.00314	2.3
67.18642	1.0
71.01389	15.7
72.37502	0.9
72.99290	2.3
73.02946	3.4
75.00870	1.7
81.03458	4.8
83.01380	7.3
85.02966	10.8
87.00874	3.5
89.02451	12.2
93.03474	7.8
95.01395	2.7
96.95995	3.1
97.02924	1.6
99.00872	1.2
99.04498	1.6
101.02441	8.2
107.01388	5.2
108.02165	1.6
109.02972	5.2
113.02448	6.4
117.03542	1.3
119.03499	4.4
119.08721	1.1
121.02973	38.4
122.03278	1.4
123.04531	8.4
123.96246	1.0
124.01668	1.6
125.02462	48.6
126.02775	1.4
128.03410	0.9
133.02969	4.2
135.00870	1.2
135.04507	5.0
137.02448	4.8
137.09743	1.4
139.04033	2.9
143.03534	1.7
149.02472	5.5
151.00385	18.7
152.01137	4.0
153.01991	6.1
156.05780	1.1
157.06633	1.7
158.03705	2.5
159.04547	0.9
161.04546	3.5
163.03929	0.9
163.11292	2.4
164.07077	1.0
165.01955	40.3
165.05598	5.0
167.03523	6.4
172.05290	3.4
173.06093	8.2
175.00407	2.2
175.03999	2.6
177.01907	1.8
177.05560	3.9
178.99884	18.9
179.03519	1.7
179.05626	3.2
180.00198	1.2
181.01410	3.5
181.08739	1.3
187.07648	1.9
193.01454	3.4
197.73625	1.0
199.07686	1.4
201.05530	4.1
215.07137	13.0
216.07486	1.8
227.12906	2.6
241.05002	3.3
243.06624	11.9
244.06885	2.0
249.06137	2.7
255.06674	1.1
259.06119	100.0
260.06409	7.1
267.07089	3.1
269.04614	3.2
283.06104	22.1
284.06387	1.6
287.05655	65.3
287.09003	4.2
288.05966	4.8
301.07135	9.3
311.05444	1.5
313.07355	1.5
327.07278	8.4
329.03326	1.3
329.06747	7.2
347.17221	1.6
359.03961	1.8
359.07898	1.3
387.16632	5.2
389.22260	2.1
405.11761	1.1
421.11462	16.2
422.11868	2.4
449.11337	20.5
449.16476	5.7
449.20630	5.6
450.11237	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	449.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
58.11010	0.5
59.01386	41.8
59.55177	0.5
60.01726	0.7
61.98839	2.4
63.02411	2.0
65.00330	10.8
69.50760	2.1
69.51189	1.9
71.01381	2.8
73.02972	1.3
75.00915	0.6
83.01382	4.4
85.02972	4.3
88.37118	0.5
89.02453	1.6
92.73418	0.5
97.01720	0.8
101.02451	1.3
104.81654	0.6
107.01408	18.3
109.02976	2.0
113.02458	2.0
114.71540	0.5
119.03523	0.5
123.92560	0.5
124.07677	5.7
125.02483	5.6
133.02966	0.9
134.03743	1.1
135.04543	69.5
136.04863	3.6
150.56281	0.6
150.92564	0.6
151.00385	100.0
152.00735	3.5
159.04539	0.6
161.02441	1.7
161.04556	1.2
164.01201	0.9
169.01418	1.1
182.75465	0.6
191.02036	0.6
225.05359	0.5
243.15100	0.7
269.04675	1.3
285.04034	1.5
286.04330	1.7
287.05646	70.3
287.14032	8.9
288.05963	5.5
297.09824	1.0
300.06293	0.7
301.15689	0.7
327.05225	0.6
328.05566	0.7
329.05750	2.0
329.15088	1.1
359.06799	0.7
389.21790	2.2
449.10846	21.4
449.28134	1.3
450.11270	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	448.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59686	0.3
59.01385	29.4
60.01720	1.4
61.98839	100.0
63.79063	0.4
69.21466	4.1
71.01402	2.6
73.02954	0.9
83.01413	0.8
85.02977	1.6
89.02448	2.6
101.02444	2.2
104.01574	0.4
113.02491	1.2
114.02802	0.6
119.03542	0.6
124.54850	0.4
125.02484	1.3
130.37524	0.4
135.04530	4.0
139.40112	0.4
161.04614	0.9
167.03606	0.4
193.01422	2.3
223.02498	0.5
259.02463	0.4
328.05331	0.8
329.06714	3.5
378.36719	0.4
388.20972	0.8
389.63251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56905	0.5
57.03431	0.6
59.01393	7.0
59.24520	0.6
64.88335	0.7
65.00334	3.6
69.40430	0.6
70.54652	1.3
89.00340	12.0
92.99815	0.7
95.01405	1.4
96.96018	1.3
103.01925	2.4
107.01403	0.8
107.56266	0.5
117.03469	8.7
119.01407	0.6
121.02911	0.5
123.00904	18.1
124.01689	0.9
131.01402	12.2
132.01677	0.7
138.03239	24.0
138.93686	0.6
147.00916	0.7
153.05592	8.4
159.04523	0.7
161.02466	0.7
167.05025	0.6
175.00383	19.2
176.00771	1.3
176.98315	9.7
183.04520	3.4
185.02451	6.8
187.03999	0.7
195.04535	4.0
197.02446	1.9
199.03999	1.0
207.04498	2.3
209.02452	1.7
213.05457	0.8
223.03998	5.0
225.02040	1.2
227.03496	7.5
239.03531	1.6
240.04195	0.7
250.83604	0.6
251.03500	6.4
253.01419	5.2
257.00958	1.4
267.03052	2.1
268.03741	0.7
269.04596	1.4
270.04758	0.7
283.02490	0.8
285.04126	0.7
295.02505	100.0
296.02820	8.6
309.04123	0.7
313.03653	1.3
319.06287	0.6
327.05121	0.8
329.05688	1.0
359.06732	0.8
402.03705	1.3
419.03748	1.1
434.06451	2.8
449.08820	75.7
450.09186	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3483
Annotation	Irisoquin E
Peak:m/z	Relative Intensity
59.01387	3.5
61.82651	0.7
65.98258	0.5
73.36345	0.6
83.42096	0.6
86.13171	0.7
101.01336	0.6
115.94410	0.7
121.15040	0.7
123.04537	7.6
135.04526	2.6
136.05310	8.9
137.06113	0.9
151.07664	55.5
152.07990	2.2
163.04030	2.6
164.04829	3.1
165.05525	0.8
178.06380	1.5
179.07158	43.1
180.07446	2.2
196.03813	1.0
327.05002	2.1
401.34317	0.9
419.35318	10.1
420.35672	1.3
429.33755	2.1
447.34818	100.0
448.35208	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.9
59.01387	69.1
60.01720	4.1
61.98839	100.0
65.00329	1.1
71.01386	13.3
71.54984	1.1
71.55350	1.0
72.01724	1.3
73.02969	4.0
75.00903	1.2
83.01392	1.1
85.02958	11.2
89.02454	7.8
90.02822	0.9
95.01405	1.1
97.02969	1.2
99.00900	0.8
101.02447	8.8
107.03239	0.8
108.72475	0.9
109.02934	1.6
113.02445	4.0
119.03510	3.4
121.02996	1.0
123.04501	1.1
125.02474	1.8
133.02950	9.5
134.03316	3.9
135.04492	1.4
136.04834	0.9
143.03510	1.0
147.03023	1.3
147.04498	1.1
149.04536	0.9
155.64499	0.9
159.02975	0.9
161.02562	1.2
161.04559	5.5
162.04967	1.1
163.00465	1.5
163.04010	1.2
164.00761	1.0
164.04385	1.8
165.01982	1.2
166.02272	1.1
175.03978	1.4
176.04300	2.4
179.05606	1.6
187.07521	1.0
191.01924	2.7
191.03522	1.1
192.03825	1.0
198.05052	0.8
200.04356	1.6
202.02411	0.9
202.18321	0.9
209.03032	1.4
213.05399	0.9
219.19984	0.9
226.05858	1.3
242.05420	0.9
252.28070	0.8
265.75928	0.9
270.04904	1.5
284.03366	3.1
285.03732	7.8
286.04315	6.7
286.75864	0.9
287.09137	1.6
297.04001	4.0
298.04462	11.3
299.05374	11.0
300.02853	1.2
300.05972	14.9
307.53763	0.9
312.06058	3.0
327.05142	20.8
328.05463	68.2
329.05688	6.9
331.74374	1.0
340.05518	2.3
357.05988	4.2
358.06534	21.6
359.06726	2.0
370.06281	2.5
388.20630	2.6
389.21878	14.7
420.56366	1.0
448.09656	23.2
449.09897	3.0
449.27985	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	447.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22746	0.5
51.39871	0.4
59.01387	100.0
60.01721	1.1
61.98853	0.5
63.69792	0.5
70.28356	1.6
71.01389	6.8
73.02943	0.8
73.89957	0.4
78.95910	1.1
83.01410	0.7
85.02966	1.4
87.00908	0.9
89.02458	10.0
95.01411	0.6
96.96030	1.3
96.96983	1.4
101.02468	2.7
101.03036	0.4
109.02917	0.5
113.02465	3.1
119.03530	4.3
120.90982	0.5
125.02479	2.5
129.81120	0.5
131.03548	1.0
143.03528	1.1
149.04510	0.5
161.04596	1.9
177.01884	0.6
179.05664	5.5
227.12006	0.4
262.31378	0.4
285.04102	0.5
327.05200	2.5
357.06226	0.8
387.20456	1.3
447.09467	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2242
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
53.24683	0.5
55.01886	2.2
57.03455	2.0
58.00604	3.2
59.01388	87.0
60.01725	0.9
61.02454	0.6
69.03466	0.7
69.32664	4.4
71.01392	62.7
72.01740	1.5
72.99310	3.7
73.02958	17.4
75.00884	0.7
83.01416	3.3
85.02968	9.9
87.00900	2.3
89.02457	100.0
90.02792	1.0
95.01402	2.6
97.02967	1.5
99.00895	22.2
99.01543	1.1
101.02459	41.2
102.02834	0.6
106.01264	0.5
113.02464	19.2
115.04012	1.1
119.02673	1.0
119.03516	17.0
125.02476	4.2
131.03520	17.4
133.02943	3.0
134.93854	0.6
143.03496	4.6
146.42659	0.6
149.04575	47.2
150.04907	1.1
151.00360	0.6
161.04633	3.8
175.04025	1.2
177.03598	0.6
179.05635	6.5
183.13985	1.0
191.05632	12.6
211.13431	4.9
213.05444	0.5
220.62167	0.5
221.06697	1.3
222.79813	0.6
233.06642	1.4
251.07690	2.4
284.03253	4.7
285.04086	7.6
293.08621	0.9
297.03952	2.5
298.04761	2.3
299.05588	4.4
315.18109	2.2
327.01459	1.0
327.05142	18.4
328.05359	1.8
339.05225	1.2
357.06238	6.3
358.06418	0.8
447.09497	8.0
447.15918	1.4
447.22281	22.3
448.22501	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	447.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52501	0.5
57.03426	0.6
59.01385	100.0
60.01722	1.0
61.09863	0.5
61.98836	1.2
63.16063	0.5
65.23799	0.6
69.39458	1.6
69.39880	2.5
71.01388	10.6
72.99307	0.6
73.02959	3.0
75.00876	0.7
83.01414	1.5
84.89317	0.5
85.02962	2.5
87.00879	0.7
88.98796	0.9
89.02453	11.1
95.01416	0.6
99.00858	0.5
101.02455	7.3
102.04826	0.5
109.02945	0.7
109.65428	0.5
113.02469	4.9
119.03535	3.8
119.05025	0.9
125.02459	1.0
127.16543	0.6
135.04494	0.6
143.03543	0.8
148.94687	0.5
149.04665	0.6
149.55847	0.6
151.00394	0.6
161.04550	5.1
163.11351	0.8
165.01968	2.2
179.05617	3.8
189.01973	0.6
207.03194	0.6
207.13895	1.1
243.16190	0.6
253.05264	0.6
262.93475	0.5
280.87460	0.5
284.03497	1.3
285.04224	1.2
297.04233	1.2
298.04922	1.1
299.05646	4.5
327.05093	14.7
328.05627	1.5
357.06268	2.9
369.19077	0.6
387.20340	2.6
400.19937	0.5
405.21243	1.1
406.22562	0.6
447.09268	11.3
448.09787	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2241
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01887	6.0
57.03455	5.0
58.00597	2.3
59.01387	54.7
59.30661	0.6
61.98817	0.6
68.99841	0.8
69.03473	2.5
69.38092	4.9
71.01392	95.8
72.01728	1.6
72.99306	2.6
73.02956	39.6
75.00880	3.3
81.03464	1.5
83.01398	11.3
85.02961	36.7
86.00109	0.8
87.00901	4.6
89.02456	37.0
90.02811	0.6
95.01401	6.5
97.02953	5.2
99.00891	20.6
100.01234	0.7
101.02457	57.5
102.02808	1.2
111.00895	0.8
113.02463	33.6
114.02793	1.2
115.04005	3.4
119.03540	6.5
125.02460	5.4
129.01970	1.8
131.03506	5.5
133.03003	2.2
141.01950	0.7
143.03493	6.7
149.04568	9.5
159.03009	8.5
161.04575	58.1
162.04936	2.0
166.47450	0.7
170.53935	0.6
178.50163	0.6
182.68990	0.6
191.05630	2.7
200.18750	0.6
205.03448	1.0
211.13417	4.3
233.06688	4.4
277.37811	0.7
284.03320	1.9
285.04056	3.3
293.08810	1.7
297.03979	1.7
298.04868	1.1
299.05457	1.5
315.18152	40.4
316.18533	3.8
327.05109	8.7
328.05414	0.8
357.06247	2.1
447.09753	4.1
447.22369	100.0
448.22708	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.5
59.01388	67.0
60.01743	0.5
61.98838	5.0
63.02397	0.5
65.00337	0.7
69.73337	1.2
69.73749	0.8
71.01404	3.0
73.02962	1.2
83.00920	0.3
83.01418	1.1
85.02972	1.5
89.02454	1.5
98.19994	0.6
99.00912	0.5
101.02450	2.2
105.03476	0.4
107.01410	2.3
109.02970	0.7
113.02415	1.6
115.92096	0.7
116.92872	3.0
119.03490	0.5
121.02940	0.6
133.02975	10.3
134.03430	0.5
135.04552	0.5
145.03027	0.4
147.04510	0.4
149.02455	1.6
151.00389	5.1
161.02528	0.5
161.04549	2.4
163.00371	0.7
163.04057	0.7
165.01935	0.5
175.04051	3.0
176.04378	0.6
177.01903	0.5
185.06122	0.5
187.04050	0.4
197.06270	0.3
199.04050	2.5
201.02042	0.9
212.04665	0.4
213.05653	0.7
215.03578	0.4
217.05049	1.3
227.03485	0.4
241.05087	1.0
243.02934	0.5
255.03049	0.9
256.03763	0.7
257.04480	0.8
267.03018	0.4
271.02551	1.1
283.02628	0.4
284.03329	6.3
285.04074	100.0
286.04419	7.5
286.07272	0.2
297.04080	4.6
298.04807	2.0
299.05640	3.1
300.02759	1.1
301.03491	1.4
311.05716	0.4
327.05124	17.6
328.05579	1.3
339.05176	0.6
357.06171	5.8
358.06445	0.5
369.06302	0.4
387.20267	3.3
447.09381	14.9
447.18463	0.7
447.26440	0.4
448.09659	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02496	0.3
50.86102	0.3
52.39303	0.3
59.01378	0.5
62.96424	1.2
69.75648	1.5
70.23135	0.3
75.80751	0.2
78.95915	39.2
87.57249	0.3
96.96980	2.5
124.02462	0.3
131.73753	0.3
133.02946	0.3
142.30338	0.3
149.00117	19.4
150.00508	0.6
152.99538	0.4
158.92581	2.1
179.01155	2.3
180.46709	0.3
181.25826	0.3
205.16084	1.6
240.96855	0.3
241.43439	0.2
245.75806	0.3
267.11426	0.3
285.04086	0.8
297.04089	0.5
327.05038	1.9
347.08188	0.6
357.06207	0.6
417.12445	1.1
431.10333	2.8
432.10623	0.4
447.13480	100.0
448.13861	10.8
464.10205	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.7
56.76937	0.9
57.03435	3.0
58.00583	3.1
58.14086	0.8
59.01387	80.6
60.27467	0.9
69.03450	1.7
70.85036	2.3
71.01392	95.3
72.01730	2.0
72.99314	4.4
73.02958	39.0
73.59212	1.0
75.00861	1.5
78.98016	0.9
83.01391	8.2
85.02464	1.7
85.02961	29.7
87.00864	4.0
89.02456	91.5
90.02785	1.2
95.01401	4.0
95.48766	0.9
97.02959	2.7
99.00893	32.8
100.01175	1.1
101.02455	58.3
102.02788	1.3
111.00895	1.5
113.02464	29.4
114.02767	1.4
115.04041	1.6
119.03510	8.0
125.02470	8.1
131.03516	14.9
133.02934	2.9
143.03522	4.1
149.04575	55.3
159.02997	4.0
161.04579	30.2
162.04924	1.2
179.05574	3.7
191.05621	13.8
204.21960	0.9
211.13390	4.7
221.06612	4.5
222.66771	0.9
233.06705	1.7
251.07712	5.7
284.03210	3.8
285.04077	5.4
293.08926	1.6
297.04068	3.9
298.04770	1.8
299.05615	3.2
311.09909	1.4
315.18149	36.5
316.18457	4.4
327.05112	15.4
327.08621	1.8
328.05576	2.1
339.05139	1.1
357.06152	4.2
369.05963	1.3
447.09406	8.3
447.22372	100.0
448.09805	1.0
448.22705	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	447.13
Annotation	Siebolside A
Peak:m/z	Relative Intensity
51.02381	1.4
55.01910	0.9
57.69603	0.9
59.01384	20.0
67.01885	1.2
69.03464	67.7
70.03796	1.1
70.55546	2.2
70.85432	0.9
71.01382	3.8
73.02949	1.5
79.01897	36.7
81.03453	3.0
83.01395	1.6
85.02991	4.4
89.02463	1.2
95.01391	12.3
96.96025	7.8
97.02961	38.8
98.03304	1.1
101.02443	2.6
103.66936	0.8
107.01402	80.8
108.02219	21.0
109.02972	4.8
109.11015	0.9
113.02492	1.0
121.02943	6.0
123.00903	18.1
125.02465	67.7
126.02804	2.5
133.02980	12.0
135.00908	60.9
135.04483	1.9
136.01599	3.8
137.02434	3.6
144.75423	1.0
149.02455	3.5
150.03154	0.9
151.00395	78.2
152.01187	44.9
153.02007	6.5
161.02460	1.7
163.00410	1.7
163.04039	7.5
165.01904	1.4
175.04054	2.7
176.01125	0.9
177.01949	10.8
189.01962	1.9
191.03500	1.8
197.06116	1.9
199.04062	1.1
201.02054	1.2
225.05626	2.5
241.05107	1.3
242.05876	100.0
243.06613	69.2
244.07114	4.2
253.05197	1.4
284.03244	10.1
285.04031	19.4
285.07611	4.2
286.04193	1.6
297.04028	8.1
298.04901	5.4
299.05634	11.5
300.05881	1.2
311.05478	1.4
327.05112	52.8
328.05487	4.9
339.07840	4.3
357.06216	16.7
358.06290	1.2
369.06519	1.8
387.10977	1.3
393.05914	1.2
429.24789	5.0
447.13934	36.5
447.25986	3.6
448.13315	4.3
448.18967	1.1
448.26279	1.3
472.66064	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.0
59.01394	4.0
70.22692	0.6
71.00700	1.3
71.01395	7.3
73.02965	2.1
83.01392	1.1
85.02968	4.1
89.02458	1.8
92.95278	0.6
95.01380	1.1
99.00902	2.6
100.01557	0.6
101.02460	2.4
101.19728	0.6
108.02190	54.5
109.02370	0.9
109.02991	15.5
110.03288	0.7
113.02463	2.3
121.02930	0.7
123.00877	0.8
123.04546	1.8
125.02460	8.3
130.08743	0.7
137.02425	1.0
151.04063	2.8
152.01173	88.9
153.01852	5.1
161.04593	2.0
163.04019	3.0
167.03520	2.1
177.01924	4.6
179.03506	0.7
271.08344	1.6
289.07123	1.0
305.06714	1.0
315.07278	1.8
447.11487	100.0
448.11771	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	447.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19734	0.4
53.20798	0.4
59.01393	3.1
65.00333	0.6
80.02679	0.5
91.01909	14.7
92.02206	0.6
95.01400	1.1
97.51749	0.4
107.05060	1.0
108.02188	17.9
109.03001	3.0
121.02989	1.0
123.00906	6.2
124.01662	0.6
133.02943	2.3
135.00899	14.2
136.01228	0.4
136.79417	0.5
137.02478	3.8
137.74713	0.4
149.02425	0.8
152.01172	17.8
152.38577	0.3
153.01526	0.5
165.01917	0.5
175.04018	0.7
197.06068	1.3
213.05511	0.6
215.07094	0.6
239.25195	0.4
243.06631	100.0
244.06955	8.1
280.26416	0.4
284.03186	1.8
285.04147	2.9
297.04001	1.5
298.04794	1.2
299.05576	2.3
311.05630	0.5
327.01392	0.7
327.05127	9.7
328.05490	0.8
341.06598	0.5
357.06113	2.9
387.11072	1.0
405.11523	0.6
447.09171	2.7
447.13617	1.7
447.26160	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0937
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
55.01015	0.2
59.01386	9.5
63.02396	1.2
65.00062	0.3
65.00351	0.9
66.72156	0.2
69.23346	0.2
69.23717	2.3
73.02958	0.5
77.00197	0.2
83.01392	1.1
85.02953	0.7
86.52335	0.2
88.29974	0.2
89.00330	0.2
89.02459	0.7
98.20676	0.5
101.02457	1.1
105.03448	0.5
107.01401	2.4
109.02934	0.8
113.02438	0.7
119.03473	0.3
121.02963	0.7
125.02408	0.3
132.02258	0.3
133.02966	5.5
134.03745	1.0
148.01683	0.4
149.02480	1.4
149.99603	0.3
151.00386	4.8
160.55501	0.3
161.04567	0.9
163.04034	0.4
167.05150	0.3
171.04552	0.3
175.04051	1.6
177.01953	0.3
183.04536	0.3
185.06036	0.3
187.03934	0.3
188.04564	0.4
195.04572	0.4
198.03146	0.4
199.04008	2.0
200.04742	0.6
201.01945	0.6
211.04021	1.4
212.04758	0.4
213.05510	0.5
215.03555	0.5
217.05081	1.1
227.03482	2.0
229.05096	0.3
239.03503	0.5
241.05067	0.7
241.17653	0.3
243.02946	0.6
255.02954	1.2
256.03784	4.0
257.04303	0.7
267.02979	0.3
269.04504	0.6
275.53333	0.3
283.02469	0.7
284.03296	58.3
285.04056	100.0
286.04443	7.6
297.04037	1.7
298.04767	1.0
299.05667	1.7
327.05106	7.7
328.05530	0.7
339.05017	0.3
357.06140	2.2
387.20346	1.3
395.24924	0.3
416.64798	0.2
447.09351	72.1
448.09705	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	447.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51591	0.3
58.73142	0.4
59.01389	3.0
61.98841	3.3
61.99558	0.3
62.02893	0.3
63.02409	0.3
63.53906	0.3
65.00346	1.0
65.41817	0.3
69.31868	0.3
69.51437	2.1
71.01390	0.5
71.40638	0.3
71.82623	0.3
83.01415	0.9
85.02959	0.4
89.02467	0.4
98.19855	0.5
101.02467	0.3
107.01402	2.2
109.02982	0.5
113.02486	0.4
121.02967	0.8
123.60145	0.3
125.02436	0.5
133.01967	0.6
133.02962	10.8
134.03752	0.4
149.02463	1.4
151.00385	5.0
163.00394	0.7
163.03981	0.4
166.43932	0.3
171.04533	0.4
175.04018	3.5
177.01796	0.3
183.35541	0.4
185.06076	0.3
193.01434	0.4
197.06136	0.5
198.03210	0.4
199.04019	2.8
201.01924	1.3
213.05612	0.3
215.03610	0.9
217.05022	1.6
226.02792	0.4
229.04971	0.4
239.03494	0.4
240.04301	0.4
241.05070	1.4
243.02934	0.9
253.05023	0.5
255.03078	0.4
256.03781	2.2
269.04507	0.4
284.03317	8.3
285.04068	100.0
286.04395	8.8
297.04059	3.8
298.04736	2.0
299.05685	3.5
300.05670	0.4
311.05533	0.6
327.05133	17.6
328.05307	1.5
339.05118	1.0
357.06195	6.3
358.06433	0.6
369.06223	0.7
447.09326	25.5
448.09705	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	447.0937
Annotation	Homoorientin
Peak:m/z	Relative Intensity
59.01381	0.7
65.00331	0.4
69.55901	0.4
69.63595	1.4
69.63998	0.7
77.03976	0.8
79.01904	0.4
89.76707	0.3
95.05087	0.4
96.36657	0.4
99.38586	0.4
105.03451	0.4
107.01445	0.5
109.02967	1.7
117.03445	0.4
121.02959	1.8
125.02408	0.8
127.67959	0.4
132.02193	0.5
133.02983	11.3
134.03299	0.5
135.04550	0.9
137.02467	0.4
147.04565	1.1
149.02437	1.2
151.00359	0.4
151.04022	0.5
161.02498	1.1
163.00381	2.2
163.04008	2.3
165.01949	1.2
173.02544	0.4
175.03996	2.7
177.01907	0.5
189.02048	0.4
191.03564	2.4
193.01462	1.2
199.04066	1.0
201.01936	1.1
211.03993	0.8
211.07722	0.3
212.04770	0.4
213.05553	0.8
215.03606	0.6
217.05014	0.6
225.05573	0.5
226.02657	0.4
226.06236	0.3
227.03487	0.8
227.07104	0.4
229.01495	0.5
236.04759	0.4
237.05682	0.4
240.04266	0.6
241.05077	0.6
243.06805	0.6
249.05579	0.3
253.05045	0.9
255.03004	0.6
255.06702	0.6
255.54915	0.4
256.03949	0.4
257.04657	0.5
269.04590	0.8
271.06256	0.4
281.04459	0.4
284.03311	7.9
285.04053	7.4
286.04291	0.9
297.04083	16.5
298.04822	9.9
299.05634	18.1
300.06009	1.4
309.04086	0.8
311.05582	2.8
324.02600	0.5
325.03394	1.0
327.05127	100.0
328.05478	9.9
328.08472	0.2
339.05060	3.8
341.06607	1.0
357.06192	27.2
358.06549	3.5
369.06183	2.6
374.90735	0.4
393.06067	1.4
447.09360	20.8
448.09735	2.8
453.74573	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70142	38.8
54.14966	39.2
54.36921	39.6
58.34898	50.0
59.01389	100.0
78.99612	39.8
115.57133	47.4
127.38246	40.4
177.01292	62.1
264.19409	46.3
346.46152	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	38.0
61.98805	0.8
69.73530	3.8
71.01363	2.3
77.03967	0.8
79.01864	0.9
89.02422	3.3
98.19954	0.8
101.02444	1.7
107.01392	1.3
109.02936	2.7
113.02473	1.1
121.02942	2.1
133.02957	19.4
133.61880	0.7
134.03682	0.7
135.04530	2.0
147.04503	0.8
149.02339	1.0
151.00354	1.0
153.07170	0.8
161.02412	2.1
163.00391	3.5
163.03990	2.1
165.01909	3.0
165.84230	0.7
175.04012	4.6
177.01891	2.1
179.03371	0.9
185.06056	0.9
191.03470	1.6
193.01443	0.9
199.03979	2.6
201.01976	1.7
213.05513	2.0
225.05565	2.0
227.03610	1.1
240.04211	1.2
241.05128	1.7
243.03049	0.9
253.05049	2.2
255.03093	0.9
255.06631	0.9
267.06470	1.1
269.04584	2.4
284.03339	7.2
285.04077	14.5
286.04364	1.8
297.00647	1.2
297.04074	25.3
298.04816	16.3
299.05597	33.2
300.05933	3.3
309.04034	1.3
311.05603	6.0
324.02896	1.3
325.03546	1.7
327.05106	100.0
328.05493	9.2
330.03955	1.3
339.05112	11.1
340.05463	1.7
341.06705	1.6
357.06180	53.1
358.06549	5.4
369.06378	2.0
387.07278	1.3
387.20215	1.2
429.08319	7.4
447.09369	56.7
448.09674	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	445.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66072	0.4
55.66660	0.4
57.03455	0.4
59.01387	100.0
59.94417	0.4
60.01709	0.9
61.98835	0.5
65.53950	0.5
69.55754	1.5
69.56173	0.9
71.01392	4.5
73.02972	1.8
73.30371	0.4
83.01424	1.1
85.02962	2.4
85.69326	0.4
87.00880	0.7
89.02465	1.8
89.46521	0.4
92.73318	0.4
98.19903	0.6
101.02457	2.8
109.02974	0.4
111.01031	0.4
113.02501	1.2
113.48928	0.4
119.03531	0.7
121.03008	1.5
161.04550	0.6
173.61571	0.4
177.70581	0.3
209.11938	1.2
223.13683	0.7
223.17078	1.0
241.18237	0.8
269.04648	1.4
297.04239	1.6
313.03769	0.6
325.03595	1.0
385.22623	1.5
401.08640	0.6
403.23364	3.1
445.07883	1.8
445.24545	6.0
446.08704	0.7
446.25339	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06358	0.8
57.03443	4.0
59.01387	100.0
60.01713	1.0
69.42841	2.4
69.43257	4.8
71.01392	17.8
79.63937	1.3
83.05031	2.4
85.02942	2.0
89.02457	28.0
98.20654	2.2
101.02460	8.5
113.02471	7.3
119.03531	7.7
143.03491	2.1
149.04507	1.1
161.04585	3.3
179.05658	14.9
179.07123	1.8
335.62463	1.0
379.42245	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53891	0.4
55.10658	0.5
59.01386	100.0
60.01734	1.4
69.07755	0.5
71.01389	11.2
71.24426	0.8
71.24789	0.5
73.02969	0.9
83.01408	0.7
84.02583	0.5
85.02974	2.2
87.00911	0.7
89.02454	15.0
101.02457	7.0
107.57294	0.5
113.02460	4.6
119.03517	6.3
124.99660	0.6
143.03572	0.8
149.04623	0.8
149.06047	0.7
153.85576	0.5
158.96912	0.5
161.04590	1.2
179.05739	1.5
205.12378	5.6
263.19049	0.5
265.51743	0.6
297.04236	0.9
337.47604	0.5
445.07788	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.7
57.38194	0.6
58.00598	1.8
59.01385	100.0
60.01729	1.0
63.86567	0.6
64.13268	0.8
71.01389	22.3
71.55183	0.8
71.55552	0.7
71.59123	0.7
72.99327	1.9
73.02940	2.1
83.01407	2.2
84.08697	0.7
85.02967	6.1
87.00903	1.8
87.26611	0.6
89.02451	19.4
95.01423	1.6
101.02454	14.2
110.00114	1.1
113.02462	9.7
116.04332	0.6
119.03525	8.9
121.02985	1.1
131.03578	0.8
133.02939	0.8
137.02429	0.9
143.03511	1.0
149.04578	0.7
161.04620	1.4
163.00397	0.8
172.99142	0.8
175.00415	0.9
175.02504	0.7
179.05603	1.5
209.11835	2.9
239.03455	1.0
247.13374	0.8
248.03340	0.8
255.02980	0.9
255.99634	0.6
256.03171	0.7
265.18143	3.1
268.03815	7.4
269.04553	2.4
283.06161	12.2
284.06540	0.9
297.04160	1.8
311.02084	2.6
340.79602	0.8
354.03848	3.8
355.04193	0.8
369.06006	3.2
414.07584	0.9
427.23389	6.7
428.23767	1.5
430.09210	0.9
445.12039	7.8
445.24432	98.3
446.24774	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	445.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71816	0.5
59.01382	10.2
61.98817	0.8
67.80079	0.6
71.01393	4.2
72.99314	0.6
73.02929	1.5
75.00882	0.6
75.31611	0.5
85.02931	1.6
87.00868	0.5
89.02436	1.9
98.19882	1.4
99.00824	0.8
101.02426	1.2
112.93256	0.6
113.02429	1.4
115.64370	0.5
121.91243	0.5
125.02430	1.1
132.02167	3.8
133.03040	0.6
149.02527	0.6
161.02446	1.1
165.01950	0.9
179.03517	0.7
188.01216	1.5
189.01945	1.4
191.01907	0.6
194.07271	0.6
209.06058	1.6
210.06914	0.7
222.06744	0.8
223.03989	0.9
224.04871	0.6
225.05658	2.6
226.06224	0.6
237.05574	2.5
238.06241	3.1
239.03619	1.1
252.04430	0.9
253.05035	8.2
254.05840	4.8
264.04315	0.8
267.02954	2.1
267.06036	0.5
268.03925	2.9
269.04407	1.0
278.05920	0.6
279.06665	0.5
280.03839	3.3
281.04572	12.6
282.05356	57.2
283.05853	7.3
283.10925	1.2
293.04480	1.8
294.05243	3.1
295.06088	4.2
296.06851	2.4
297.04272	0.6
297.07645	11.8
298.04761	0.6
298.08078	1.0
307.06064	0.9
309.04071	0.8
309.07748	1.6
310.04855	22.2
311.05408	2.6
322.04791	4.7
323.05405	1.5
325.07193	100.0
326.07529	9.9
328.05991	1.4
335.05743	0.7
337.07199	8.1
338.07538	0.9
339.08786	0.8
340.05917	4.5
355.08246	24.4
356.08557	2.5
367.08301	2.2
385.09244	0.6
409.09073	1.0
427.10254	1.7
445.11462	51.2
445.24384	2.2
446.12030	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	445.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37606	1.2
57.03453	20.1
59.01389	100.0
60.01710	1.1
69.89690	6.1
71.01393	31.0
72.99323	1.4
73.02962	5.9
81.03478	2.6
83.01411	1.2
85.02967	8.0
87.18042	1.2
89.02454	19.8
95.01398	2.3
97.02973	1.2
99.00923	1.8
99.04536	8.2
101.02465	19.2
111.43978	1.2
113.02483	13.8
113.06207	1.5
119.03531	6.3
122.53017	1.5
123.08118	1.2
125.02455	1.5
131.03497	2.3
138.06923	6.2
139.07645	3.9
143.03485	2.9
149.02429	3.3
151.07661	7.3
152.08441	10.6
153.09233	30.5
154.09590	1.5
159.02931	1.5
161.04558	17.5
161.09720	1.4
164.04820	5.9
179.05602	7.4
179.07178	12.8
179.10770	3.9
181.68571	1.3
205.12379	15.3
223.13425	18.4
227.09258	5.4
239.77179	1.4
278.87738	1.2
278.90793	1.3
288.43216	1.2
334.44989	1.1
385.18747	19.5
386.19250	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	443.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94698	1.8
59.01388	100.0
71.54352	2.9
88.88589	2.0
91.04002	2.4
96.96024	2.2
102.74554	2.0
113.53977	2.0
121.02975	2.5
197.11835	3.5
291.19717	4.0
309.20673	7.9
383.42038	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	443.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09463	0.7
54.57624	0.7
57.03474	0.7
59.01388	2.1
69.72275	0.7
71.01442	1.5
71.01781	1.0
77.03717	0.7
89.02486	1.1
91.04029	1.3
132.05836	0.9
160.21541	0.8
187.11301	3.4
233.08601	0.8
277.21103	0.8
305.28586	1.3
307.30087	90.7
308.30475	11.3
325.31091	2.3
351.29068	44.9
352.29437	6.1
369.30106	100.0
370.30533	11.4
443.33792	51.8
444.34183	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	443.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
59.01385	2.3
71.01913	0.9
73.91005	0.4
74.61918	0.4
75.66489	0.4
89.02458	1.1
91.04012	1.5
152.38043	0.4
161.31747	0.4
208.90060	0.4
260.39719	0.4
305.28543	1.4
307.30087	100.0
308.30429	12.0
312.30084	0.5
325.31152	2.4
351.29062	44.9
352.29404	5.2
355.40149	0.4
369.30106	97.0
370.30469	12.9
443.33801	56.5
443.40228	1.1
444.34158	8.5
465.83295	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85895	0.6
57.03406	0.9
59.01325	19.5
59.01653	1.5
59.15012	0.5
61.98772	2.9
71.01393	8.5
71.54812	0.6
71.55241	0.8
73.02892	2.1
75.00838	1.4
79.14272	0.5
82.33163	0.6
83.01351	0.9
83.81889	0.5
85.02959	4.4
87.00832	0.8
88.98728	0.5
89.02454	4.5
96.95929	0.5
99.00854	1.1
101.02451	3.1
101.49322	0.5
111.00867	0.7
113.02390	2.5
115.03977	0.9
119.03394	0.8
125.02399	1.8
127.89364	0.6
132.02196	3.6
132.71002	0.7
135.04507	0.9
136.07617	0.6
149.02444	0.6
149.04485	0.8
149.09743	1.0
153.09204	0.6
161.02373	0.7
161.04489	1.2
163.00293	0.7
163.04063	0.7
165.01863	1.1
171.09167	0.8
177.01866	0.9
179.03485	0.9
181.06522	0.6
188.01123	1.5
189.01897	1.2
191.01912	1.0
195.04358	0.6
199.03906	0.6
209.06071	1.1
209.11847	1.3
210.03316	0.5
211.03925	0.7
225.05516	2.5
226.06285	1.1
227.03261	0.6
236.04642	0.7
237.05545	2.9
238.06325	3.9
239.03477	1.0
253.05089	8.6
254.05835	4.3
255.02968	1.5
260.63528	0.7
266.05850	0.9
267.03006	1.3
268.03809	2.8
268.07391	0.7
269.04504	2.5
278.05966	0.7
280.03915	2.8
281.01419	0.8
281.04581	12.4
282.05356	61.0
283.05939	8.0
283.10898	2.3
284.03329	0.7
292.03845	1.3
293.04364	1.4
294.05380	3.5
295.06128	5.0
296.06766	2.4
297.04080	1.7
297.07663	12.7
297.11340	0.7
297.12619	1.0
298.04846	1.7
298.08148	0.7
307.06058	0.9
309.04230	1.1
309.07773	1.7
310.04880	22.8
310.08487	1.1
311.05191	2.4
322.04990	3.9
323.05634	1.2
324.06396	0.9
325.07199	100.0
326.04318	1.1
326.07584	9.4
327.05270	0.8
328.05896	2.4
337.07294	7.6
340.06033	4.1
355.08282	27.2
356.08759	2.9
367.08255	2.5
385.18735	0.7
409.08871	0.7
427.10431	1.3
445.11536	54.1
445.24628	5.6
446.12335	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63829	1.4
57.03439	1.7
58.00603	5.3
59.01387	100.0
59.98510	1.5
59.98820	1.7
60.01754	1.4
70.49564	3.1
71.01392	65.0
72.99313	6.7
73.02972	3.8
79.05550	2.4
81.03464	2.9
83.01407	3.3
85.02954	12.6
87.00895	2.0
89.02455	82.3
95.01414	4.2
95.05057	3.1
99.04563	6.9
101.02449	29.4
107.05042	6.8
113.02461	29.2
113.06118	3.7
119.03520	29.7
119.04984	1.2
124.94928	1.5
131.03482	4.4
139.07672	3.2
143.03552	3.1
149.04562	2.7
159.11790	2.9
161.04633	2.5
161.09647	1.5
166.18953	1.3
179.05603	7.4
181.15639	1.3
187.11301	55.4
188.11685	2.9
207.10271	2.4
219.13925	21.4
220.14195	1.7
231.10237	3.2
236.63406	1.5
263.12885	38.2
264.13260	3.6
321.14368	2.0
383.14435	3.5
440.54712	1.4
443.10461	1.8
443.16882	2.1
443.22519	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	443.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.2
57.03456	1.8
58.00592	2.2
58.18027	1.2
59.01386	100.0
61.98830	5.9
69.03493	1.2
71.01388	50.2
71.54899	1.5
72.99327	5.6
73.02956	4.7
81.03527	2.2
83.01405	4.6
85.02957	16.3
87.00896	2.5
87.45605	1.1
89.02455	55.7
90.02787	1.5
95.01408	5.9
95.05026	3.1
99.04510	6.9
101.02449	28.7
106.04270	1.5
107.05029	4.6
113.02464	20.5
113.06149	1.2
119.03512	22.3
125.02541	1.9
131.03453	2.8
139.07635	2.0
143.03496	3.1
149.04610	2.0
159.11832	3.7
161.04607	3.7
172.09113	1.7
179.05614	6.5
187.11305	39.5
188.11575	2.3
191.02156	1.4
207.10278	1.4
219.13934	14.5
231.10304	2.2
263.12894	29.2
263.15967	1.5
263.64108	1.4
264.13196	1.8
383.21017	1.6
401.22021	2.9
443.22888	14.3
444.23282	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	443.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
56.86312	0.8
57.03448	2.3
58.00593	1.3
59.01387	39.7
69.37968	4.3
69.38380	2.5
71.01391	25.0
72.99316	2.3
73.02958	5.2
81.59984	1.0
83.01384	4.1
85.02961	10.7
87.00862	1.5
89.01943	1.4
89.02456	19.2
95.01385	1.8
99.00851	1.3
101.02452	19.6
113.02460	11.6
114.76189	0.9
119.03508	7.2
123.08128	1.6
131.96458	0.9
134.23418	1.1
160.01740	1.2
161.04610	1.5
189.12921	1.0
204.04196	1.0
209.03049	1.0
219.13835	1.1
281.13867	1.8
409.70248	1.0
443.19244	100.0
444.19592	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	443.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.9
57.03462	1.6
58.00616	1.2
59.01387	43.8
69.28741	10.6
71.01015	1.9
71.01390	29.5
72.99331	1.9
73.02946	5.1
73.38004	1.0
81.20664	1.2
83.01395	3.8
85.02959	10.6
87.00917	1.5
89.02459	19.5
99.00908	3.5
101.02448	19.7
111.04481	1.3
113.02474	9.9
117.30888	1.2
119.03529	11.7
119.39465	1.2
134.03789	1.7
161.04575	1.5
175.04089	1.8
178.63680	1.2
189.12891	1.6
193.05093	3.8
226.10109	1.2
237.14973	1.7
246.51111	1.2
288.61545	1.3
317.63702	1.3
342.04269	1.1
427.34241	1.2
443.19305	100.0
444.19586	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	443.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	15.5
71.06587	11.1
71.54125	19.6
119.05047	100.0
120.05393	18.5
407.18652	74.1
443.19928	44.6
461.35413	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	443.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	65.7
68.48029	6.7
81.61535	8.2
91.01907	21.2
117.03457	15.0
119.05042	88.0
119.89967	9.2
125.08502	8.3
132.05734	10.3
135.00890	28.8
153.01920	16.5
161.02452	33.2
187.11272	31.6
189.33604	8.2
207.10249	14.3
258.06009	9.3
281.08270	16.5
323.12869	26.8
343.06107	10.9
345.11118	11.4
361.08380	12.1
371.05655	12.3
384.20740	10.0
400.05756	10.4
407.13983	8.7
407.18777	100.0
408.18982	11.2
428.05557	18.8
428.10971	10.9
443.07819	79.0
443.13269	14.2
444.07831	12.1
467.08542	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	443.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78681	58.6
59.01372	100.0
72.18715	51.0
98.20700	94.1
98.84016	57.9
106.83111	55.4
119.21716	56.8
151.00288	71.9
206.80177	59.9
380.04611	54.6
391.80673	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1347
Annotation	(1S,2R,7aR,13aR)-2,3,13,13a-Tetrahydro-1,2,7a-trihydroxy-9,10-dimethoxy-3,3-dimethyl-1H-bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7(7aH)-one
Peak:m/z	Relative Intensity
51.50542	2.8
52.38773	2.7
54.00750	2.9
58.14838	2.6
59.01389	36.4
60.42583	2.9
60.50961	2.9
69.08231	2.6
69.62482	2.9
70.06012	2.6
71.54546	3.2
76.20863	2.9
96.99319	10.9
108.02215	3.7
109.06626	3.5
117.05897	3.3
119.05045	6.9
119.81966	3.2
135.04570	4.2
179.07150	5.0
181.08707	4.2
191.07239	7.4
205.05135	4.9
207.06656	26.0
207.10141	3.4
217.05040	5.9
219.06657	5.5
234.05270	6.3
235.06131	34.8
245.04581	4.3
246.05260	7.8
249.07764	3.7
263.05585	15.1
272.03180	4.0
277.07318	3.7
287.05396	3.2
291.19724	6.9
309.20657	12.2
351.08960	3.3
367.71460	3.5
381.06262	7.1
395.07928	6.9
400.11743	11.8
410.10037	20.5
411.10980	21.8
413.09064	3.6
415.13837	5.4
425.12476	9.0
428.10986	12.5
443.13489	100.0
444.13751	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	443.1352
Annotation	5-Methoxypodophyllotoxin
Peak:m/z	Relative Intensity
54.54751	0.4
59.01373	1.8
59.74006	0.5
70.49583	1.5
71.35443	0.4
74.95546	0.4
111.00909	1.1
124.01671	1.8
148.01689	3.2
151.00366	1.9
152.01132	0.6
153.01901	0.5
153.05598	3.2
161.02441	0.9
163.04053	5.0
177.99101	3.9
178.99872	3.2
180.00647	2.9
188.04770	0.6
190.99887	2.1
192.00552	0.5
193.01430	2.6
199.04082	1.0
200.04787	0.9
203.03511	0.5
216.04297	1.8
217.05058	0.5
218.99367	0.5
227.03484	1.3
228.04234	1.8
243.02914	1.3
244.03746	4.1
255.03044	1.4
256.03802	1.7
257.00986	0.6
268.03799	0.6
269.04425	0.6
271.02414	2.8
272.03278	11.9
273.03717	0.8
283.02441	2.1
284.03336	3.4
285.04013	1.3
287.05762	0.6
297.04019	1.0
298.01306	0.7
298.04721	0.5
299.01999	10.7
300.02774	24.6
301.03137	1.9
313.03610	2.0
314.04391	6.1
315.05130	52.3
316.05450	4.6
327.01541	1.5
328.02344	1.3
329.06738	3.7
342.03909	3.1
343.04611	26.1
344.04874	2.7
357.06174	14.1
357.10388	0.8
358.06924	15.1
359.07291	1.9
373.09363	6.9
385.09424	0.9
390.05899	5.6
391.06311	0.6
395.07751	0.7
404.07446	2.7
410.98529	0.5
413.08765	1.7
425.12509	0.9
428.11142	5.8
443.13504	100.0
444.13843	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	442.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
59.01388	4.6
61.98839	100.0
69.81772	0.4
71.01387	2.8
71.54472	0.5
72.99332	0.6
85.02955	3.7
86.95702	0.5
89.02465	1.7
90.27296	0.5
101.02477	1.6
102.05658	1.7
113.02505	1.3
119.03587	0.8
125.02501	0.6
128.03545	0.6
134.03793	0.7
144.06700	0.7
156.04922	1.3
157.06201	0.6
161.04587	0.5
165.05597	0.7
191.02025	0.6
193.05153	0.7
209.02960	0.9
226.08890	0.5
236.12328	0.6
237.07687	0.9
267.07254	0.6
286.10403	0.6
294.13400	0.7
310.13150	0.8
379.18472	0.4
382.18198	0.9
442.18030	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.3544
Annotation	3-hydroxystearoylcarnitine
Peak:m/z	Relative Intensity
58.02984	30.0
59.01380	2.4
71.01395	7.9
71.54397	1.5
84.04550	4.4
86.64491	1.2
88.04054	100.0
89.04383	1.1
109.36301	1.1
130.04129	2.4
130.05116	46.9
153.81708	1.2
156.06697	2.1
275.02087	1.4
343.18311	1.1
442.35428	35.8
443.35657	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	441.25
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
52.75825	0.3
59.01386	100.0
60.01717	1.5
69.27773	3.2
71.01392	1.3
71.74772	0.3
73.02951	0.8
82.48647	0.3
85.02981	0.8
94.99206	0.4
96.22266	0.3
97.02961	0.3
101.02483	0.6
126.36599	0.3
136.06097	0.4
144.14600	0.4
161.04610	0.7
199.63902	0.4
209.85165	0.4
210.21559	0.4
288.27182	0.4
399.24057	1.1
441.19867	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11832	0.5
59.01387	100.0
60.01717	1.2
61.98847	0.7
62.26945	0.6
71.01391	5.8
71.55282	0.9
73.02973	3.2
74.25563	0.5
83.01405	1.7
85.02982	1.9
89.02461	2.6
95.01419	0.9
101.02456	5.0
113.02486	3.4
119.03545	0.7
119.05072	1.9
161.04555	1.0
169.57462	0.5
199.44324	0.6
223.09779	1.0
337.06619	0.6
382.14325	0.9
441.19611	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2036
Annotation	Grandilodine A
Peak:m/z	Relative Intensity
57.10517	0.6
65.99848	1.6
71.53697	0.7
87.00906	0.8
96.96029	0.8
101.06100	2.7
119.49425	0.7
122.79507	0.7
157.36443	0.6
196.11374	1.8
214.47470	0.8
238.16061	0.8
254.15546	8.7
255.15932	1.3
278.11877	2.3
280.04202	0.7
280.17010	1.0
291.51416	0.8
293.37329	0.7
294.14954	5.7
295.15253	0.8
332.16583	1.1
333.17487	2.6
338.14252	0.8
348.19617	3.8
350.17773	1.3
365.21078	1.5
381.20703	1.6
384.13217	3.7
441.20337	100.0
442.20694	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
60.01720	0.9
60.49272	0.7
69.36941	6.1
71.01394	5.1
73.02959	2.1
78.40091	0.7
78.95945	0.7
83.01406	1.6
85.02966	1.5
89.02470	3.9
93.03471	1.2
101.02480	3.8
101.12412	0.8
113.02490	2.6
119.03629	1.7
119.05042	59.1
120.05375	6.1
121.02999	2.8
125.75810	0.6
133.06644	0.9
135.04578	1.2
147.26195	0.7
149.02431	1.3
161.04628	1.2
195.13930	2.4
201.91307	0.8
213.15057	1.2
214.86072	0.7
217.00249	0.9
227.12877	1.6
291.12451	2.2
305.14059	1.1
321.13416	3.9
399.23935	1.2
423.18045	0.9
441.19244	37.2
441.28516	13.0
442.19556	3.6
442.28842	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1925
Annotation	Exiguaflavanone M
Peak:m/z	Relative Intensity
59.01389	26.8
61.98813	0.7
63.02412	6.3
65.00333	16.7
71.01405	2.9
73.02951	1.5
83.01395	9.6
85.02976	1.4
87.04533	2.9
98.19847	1.4
101.02425	1.1
101.77909	0.6
105.07072	0.7
106.04279	0.8
107.01406	22.7
109.02982	0.9
113.02493	0.8
119.05040	8.8
125.02468	1.9
132.05835	15.5
133.06596	2.3
135.04559	0.7
148.90202	0.6
151.00389	73.0
152.00731	2.6
161.04541	0.9
163.38258	0.7
164.04814	9.2
165.01947	3.6
167.07127	2.1
169.01413	3.4
173.09708	0.7
175.11374	0.8
177.01894	2.8
187.11336	1.4
201.02580	0.7
201.12868	17.8
202.13217	1.0
203.07051	0.7
213.12891	4.0
217.00299	1.2
231.14008	1.2
253.16125	0.6
271.16998	1.7
289.18121	20.0
290.18521	1.8
313.18460	0.9
315.08505	0.6
321.13275	0.7
357.13599	0.7
397.20663	0.9
441.19229	100.0
442.13223	0.6
442.19479	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	441.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	38.2
61.98845	9.0
70.86147	3.3
71.01386	36.2
71.55363	4.7
73.02956	19.1
75.21937	3.2
83.01402	7.5
85.02978	19.5
87.00893	4.5
88.76647	2.6
89.02454	7.3
94.64567	2.7
94.67543	3.1
99.00890	9.6
101.02467	42.6
113.02464	19.8
161.04543	12.0
249.10905	5.9
249.13455	100.0
250.13777	11.9
381.17712	76.6
382.18134	7.2
464.32211	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	441.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40881	1.4
59.01377	5.9
59.72258	1.7
63.02413	8.2
65.00336	14.5
70.99754	1.5
71.86022	1.5
83.01398	8.8
87.04532	2.3
94.64192	1.4
95.20224	1.9
98.20758	3.1
107.01403	21.0
119.05033	11.6
120.05365	2.8
125.02458	1.9
146.07388	17.5
151.00385	100.0
152.00710	4.8
169.01430	3.6
175.11331	2.5
177.01805	2.4
178.06335	21.1
190.06393	1.6
194.92908	2.1
198.10486	2.5
201.12859	66.8
202.13211	4.4
207.10228	3.4
215.25536	1.4
216.02052	1.7
217.00414	3.8
230.09398	2.0
253.16016	12.9
271.17023	18.2
283.06085	2.7
289.18134	33.8
290.18497	3.4
353.13754	2.3
359.00772	1.5
405.03955	2.3
423.18286	2.1
441.19226	98.5
442.19568	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	441.1927
Annotation	Exiguaflavanone M
Peak:m/z	Relative Intensity
57.15736	0.6
57.88572	0.6
59.01110	1.0
59.01385	9.9
63.02690	0.6
67.00787	0.5
71.01374	1.4
88.98820	2.4
93.03474	1.6
96.96008	0.6
98.20773	1.3
105.03478	11.9
117.03498	1.2
119.05045	100.0
120.05376	4.9
121.02975	2.5
122.03812	0.8
123.04596	1.3
130.04271	1.3
135.04590	0.8
137.02452	1.0
143.05046	1.4
145.02985	1.7
145.06572	4.0
147.08217	0.8
149.02478	10.5
156.05807	1.1
161.02446	1.4
163.04002	0.8
167.03546	5.2
171.08199	3.7
187.04231	0.6
187.07651	0.8
189.05583	11.2
189.09251	1.1
193.08420	0.6
194.02168	1.1
203.07164	0.7
207.06622	4.9
215.07126	5.5
233.08218	2.0
233.11589	0.8
267.06607	1.2
268.96976	0.6
269.08212	4.4
303.12454	2.5
309.11343	7.5
310.11636	0.7
321.13461	10.1
335.12781	3.2
351.21393	0.9
423.18280	5.4
424.18481	0.7
441.19235	95.0
441.28931	3.5
442.19556	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	441.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	22.1
59.01390	97.0
59.12086	16.7
59.68642	15.7
61.98829	29.6
71.01392	67.1
71.54850	25.4
72.32761	15.4
73.02957	16.2
73.74895	19.0
82.31731	18.3
85.02977	84.7
85.46425	16.4
89.02441	32.3
92.16182	16.0
101.02452	69.6
103.44644	17.4
113.02454	28.1
135.02730	15.2
139.07680	70.8
153.18518	17.0
161.04636	42.0
163.11009	16.1
167.04404	22.0
205.12294	20.2
235.39323	18.8
249.13458	100.0
279.12503	37.5
365.80832	20.0
381.17661	61.9
414.69687	20.4
439.86795	19.1
441.18469	50.2
442.16257	87.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.6
58.53038	0.6
59.01382	2.0
63.02396	5.1
65.00330	12.9
69.40117	4.2
69.40524	1.4
71.05042	1.3
83.01411	7.0
83.05016	0.8
87.04522	2.0
91.01904	0.6
107.01402	18.9
107.05013	0.6
108.01706	0.7
113.91751	0.8
119.05038	1.9
121.02989	0.7
123.08141	0.7
125.02417	0.8
132.05833	2.8
133.02945	0.7
133.06609	11.1
134.06993	0.9
137.02428	1.3
141.09265	1.6
143.07156	1.3
146.07393	15.0
147.07761	1.0
151.00386	81.0
152.00719	4.3
158.07382	0.9
164.04785	1.3
165.01942	2.5
169.01457	1.4
175.07668	1.2
175.11284	2.6
177.01909	3.7
178.06386	15.3
185.09744	1.1
187.11301	8.8
198.10567	1.7
201.12868	52.7
202.13199	2.9
203.10817	2.8
207.10237	0.7
209.08215	1.1
211.06032	0.8
213.12962	0.9
217.00279	1.1
219.06635	6.9
219.08586	1.2
221.11899	2.6
230.09540	1.3
253.07169	4.1
253.16039	10.0
254.16368	1.4
255.10379	1.2
271.14035	1.3
271.17050	14.8
272.17331	1.9
289.18109	28.0
290.18347	3.4
315.16135	1.1
353.13974	2.1
369.27429	0.7
390.39273	0.7
405.03775	1.2
423.18460	1.7
441.19205	100.0
442.19580	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	441.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	22.1
59.01390	97.0
59.12086	16.7
59.68642	15.7
61.98829	29.6
71.01392	67.1
71.54850	25.4
72.32761	15.4
73.02957	16.2
73.74895	19.0
82.31731	18.3
85.02977	84.7
85.46425	16.4
89.02441	32.3
92.16182	16.0
101.02452	69.6
103.44644	17.4
113.02454	28.1
135.02730	15.2
139.07680	70.8
153.18518	17.0
161.04636	42.0
163.11009	16.1
167.04404	22.0
205.12294	20.2
235.39323	18.8
249.13458	100.0
279.12503	37.5
365.80832	20.0
381.17661	61.9
414.69687	20.4
439.86795	19.1
441.18469	50.2
442.16257	87.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24054	5.3
57.03462	17.0
57.38809	5.7
69.99825	8.6
70.00221	17.0
71.01373	7.0
72.83276	6.1
74.77812	6.1
77.95920	5.9
84.33384	6.5
85.02983	12.0
98.19971	7.0
101.02487	9.7
102.05622	11.0
109.02976	6.9
113.02515	5.9
118.26886	6.1
123.04538	9.7
125.02465	100.0
126.02782	12.8
137.02464	6.3
151.04068	19.0
161.04669	6.8
161.83208	5.8
167.03468	13.9
177.01901	14.8
191.01985	6.7
191.03531	7.9
235.11882	6.7
289.07095	7.2
294.13464	7.7
361.80457	6.5
378.89139	8.4
381.17670	13.8
423.07300	9.0
441.19162	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98524	2.2
53.05753	2.0
59.01387	62.5
63.44580	2.1
69.42392	2.0
71.01400	4.3
71.55172	3.3
83.05034	2.5
85.02943	2.9
89.02497	2.0
97.06634	4.7
119.05048	100.0
120.05367	8.5
121.02959	3.0
133.06616	3.5
153.01970	3.4
165.12874	34.4
197.15460	16.0
199.01945	3.7
207.10251	2.7
241.14418	17.7
441.19284	55.9
441.28680	8.0
442.19397	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	441.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83838	2.3
57.03439	9.8
59.01395	15.0
66.77442	2.2
69.38373	21.1
71.01380	10.3
73.02969	2.6
83.05038	2.8
85.02955	12.6
89.02443	3.5
95.05007	3.6
97.02962	9.7
98.20641	4.8
101.02461	9.8
107.05043	4.3
109.02954	3.7
109.06588	6.4
111.04518	6.3
113.02454	5.3
121.06651	5.2
122.03784	12.2
123.04526	5.4
124.05336	12.4
125.02455	7.6
125.06085	3.9
128.03551	2.4
135.04503	3.5
137.06081	11.5
139.07668	100.0
140.07986	3.9
151.04018	4.8
165.05504	3.1
168.07957	23.1
169.08681	8.2
171.08089	3.4
175.07587	2.5
181.33014	2.7
187.11290	13.4
189.09126	3.0
191.40366	2.7
205.12352	24.1
229.12363	4.4
231.10265	3.6
249.11208	6.0
249.13498	6.2
273.11325	5.9
279.12393	52.2
280.12704	4.1
303.12341	4.3
381.17630	7.1
441.08353	3.6
441.18411	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	441.0829
Annotation	Catechin 3'-O-gallate
Peak:m/z	Relative Intensity
50.87584	0.4
57.03451	2.7
57.29082	0.4
57.45950	0.4
57.82640	0.4
59.01392	0.5
65.03967	1.4
67.01884	1.3
69.03460	0.5
72.99357	0.4
78.95900	0.4
81.03461	1.2
83.01400	3.0
83.05031	0.6
85.02962	1.3
89.03997	0.5
93.03463	1.6
95.01413	0.8
95.05061	0.5
96.96033	1.1
97.02956	1.3
98.95605	0.6
105.03481	0.9
107.05040	4.2
108.02181	0.7
109.02968	14.9
111.04537	1.5
117.03483	0.4
118.28334	0.4
119.05057	1.0
121.02989	1.4
123.00897	3.0
123.04501	0.8
124.01665	2.9
125.02458	23.8
126.02771	0.6
129.01913	0.5
131.05054	2.8
133.02995	3.0
135.00987	0.7
135.04553	0.9
137.02466	12.2
138.03223	0.6
139.04031	10.5
143.05060	1.1
145.03040	0.7
147.04561	1.0
149.02467	4.9
151.04024	14.5
152.04433	0.5
159.04504	1.7
161.02486	1.7
161.06097	0.7
162.02847	0.4
163.04044	3.4
164.01216	0.6
165.01956	1.5
166.02591	0.6
167.03516	7.0
167.04825	0.3
173.06055	0.7
175.04018	16.9
176.04395	0.9
177.01953	16.9
177.05521	0.5
178.02266	1.1
179.03510	1.5
183.04535	1.1
185.06050	1.1
187.04019	10.1
188.04663	1.0
189.01990	1.4
189.05602	1.1
190.02730	0.7
191.03441	1.1
193.05067	2.2
199.03937	2.4
200.04649	0.6
201.01784	0.5
201.05542	1.6
202.05916	0.4
203.03513	1.2
204.04196	0.8
205.05060	1.5
211.04007	4.7
212.04643	0.6
213.05548	1.7
214.02736	1.3
215.03514	4.5
216.03969	0.8
217.01416	0.7
217.05046	3.8
219.02943	1.2
221.04581	1.8
225.05486	1.4
227.03539	4.1
228.04208	1.9
229.05049	6.8
230.05582	0.8
231.03030	1.0
231.06606	1.0
233.04582	0.7
239.03438	0.9
241.05125	0.7
242.02499	0.6
243.03015	9.9
244.03340	0.8
245.04503	0.5
246.01010	0.4
247.02577	0.4
253.05077	1.4
255.03003	29.7
256.03702	8.5
257.04547	5.5
258.04633	0.6
259.06339	0.5
261.03961	0.7
263.05688	0.8
269.04596	4.5
270.04980	0.9
271.06091	0.9
273.04074	7.8
274.04587	1.3
281.04379	0.5
282.01797	2.5
283.02490	16.0
284.02896	1.6
285.04099	4.5
288.02820	2.3
289.07077	0.5
295.06335	0.4
297.04077	9.1
298.04718	2.2
299.05713	0.9
303.04861	0.6
313.07297	0.8
315.05191	0.9
355.08282	7.4
356.08600	0.9
357.06091	1.2
387.05405	0.8
397.09247	3.6
405.06183	1.0
423.07254	100.0
424.07568	14.6
441.08118	4.9
442.08545	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54490	1.0
65.00349	0.8
67.24887	0.7
71.54851	1.1
74.83796	0.7
79.05550	1.2
80.02657	1.3
93.03459	2.9
93.79994	0.9
95.05008	1.5
105.03419	1.0
106.04271	1.0
107.05008	3.7
108.02196	13.6
108.35944	0.8
109.02973	4.4
110.00048	0.9
119.05042	7.1
121.02973	26.1
122.03786	11.0
123.00881	1.8
123.04554	9.5
125.02377	1.1
130.04242	3.8
133.02972	6.0
133.06583	2.2
134.03722	0.9
135.04549	4.7
136.01704	1.5
137.02353	0.9
143.05025	1.5
145.06570	2.8
149.02446	9.3
150.03166	1.9
157.06592	2.4
159.04494	1.7
159.08162	3.8
161.02466	9.0
161.06114	1.8
162.03189	1.8
163.00380	2.0
163.04054	1.4
173.06155	1.0
174.03206	2.3
175.04036	1.5
175.07663	5.9
177.01759	0.9
177.12903	2.4
187.03986	1.7
189.05493	1.6
191.07179	2.0
199.07654	0.9
201.05560	3.3
202.06026	1.2
203.07170	37.2
204.07571	2.9
217.08781	1.2
218.05475	0.9
219.06548	2.0
220.06992	1.3
227.14421	3.1
235.05675	1.6
236.06020	1.9
239.07022	1.3
240.07826	1.3
242.05917	0.9
245.15495	41.0
246.15927	4.0
255.06668	15.9
256.07141	2.1
257.15472	1.1
260.14243	1.2
267.06589	3.6
271.13434	17.4
272.13727	2.6
273.15015	7.7
285.14954	5.2
289.14484	18.4
290.14792	1.8
293.11731	0.9
295.09735	1.0
296.06494	1.1
299.12909	3.8
301.14337	1.4
303.16031	11.8
304.16379	1.2
310.12094	1.1
341.12738	0.9
354.14349	16.1
355.14642	1.6
361.18063	1.6
363.19687	8.9
364.19891	1.5
369.12888	1.6
370.13248	6.4
379.19177	86.1
380.19574	11.6
407.18661	100.0
408.18976	15.3
411.14560	0.9
414.83813	0.9
439.21588	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	440.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	15.1
63.72641	0.3
69.39359	1.9
73.02957	7.7
73.72514	0.2
75.73164	0.3
83.14468	0.3
84.88651	0.2
85.02953	1.7
90.79919	0.2
96.96030	0.4
97.39798	0.3
98.20699	0.5
102.05620	100.0
103.05941	1.9
144.06679	20.8
184.55191	0.3
284.90756	0.3
286.88113	0.3
411.05695	0.3
421.55142	0.3
422.36264	1.0
440.37463	46.2
441.20059	0.5
441.25394	0.4
441.37823	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	439.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
77.23486	0.4
93.03455	0.5
98.20670	1.1
119.05041	37.5
120.05369	1.6
121.02940	0.4
133.06580	1.1
135.04523	0.8
145.02933	0.9
147.49057	0.5
150.03334	0.4
159.04567	0.5
162.03239	0.7
164.48463	0.5
173.06091	1.5
173.09709	1.7
174.42070	0.4
175.03955	0.7
177.09224	1.2
185.05940	1.0
185.09689	0.6
187.11237	0.6
189.09143	0.7
190.10004	0.7
201.05548	0.7
207.10388	0.5
215.07150	1.2
216.07919	1.6
217.08699	2.7
227.07150	0.5
229.08670	1.0
230.09523	1.2
239.07114	0.5
248.06648	0.5
251.07156	0.7
262.08505	2.2
277.12405	0.6
281.08170	2.2
291.13980	0.6
292.07489	0.5
293.08203	7.2
294.08411	0.8
299.57681	0.5
305.08231	1.8
305.14032	0.6
307.09750	0.7
307.17154	0.5
309.15079	1.3
336.13782	2.0
347.12820	0.7
351.16043	17.3
352.16437	1.4
363.16049	12.1
364.16425	2.0
365.14053	0.6
367.14706	0.9
403.19009	1.2
421.20313	3.0
422.20465	0.6
437.19333	0.5
439.21280	100.0
440.21637	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	439.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.7
59.01386	63.0
59.87286	1.3
69.56410	9.4
71.01393	50.0
72.99300	2.0
73.01836	1.5
73.02958	18.9
73.24075	1.3
83.01412	1.5
83.51981	1.4
85.02962	6.0
89.02460	100.0
96.71976	1.4
96.96021	4.8
98.19933	1.8
99.00898	30.1
101.02450	33.7
113.02452	5.4
119.03500	2.8
125.02460	15.6
127.07684	10.3
131.03516	14.6
140.71857	1.6
149.04570	60.5
150.04977	2.8
151.04065	1.8
167.03458	2.3
177.01880	2.8
191.05670	11.6
221.06638	3.6
251.07750	4.4
251.61417	1.7
342.07410	2.0
407.07639	1.8
427.40872	1.6
439.18204	55.3
440.18744	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	439.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42092	1.5
56.99852	1.5
59.01385	65.8
71.01016	3.1
71.01392	52.2
71.54498	3.1
72.99290	2.0
73.02958	20.1
85.02963	6.0
89.02458	100.0
95.66496	1.5
96.96021	2.0
97.02939	1.8
99.00890	31.8
101.02454	35.0
108.86053	1.5
113.02451	6.0
119.03539	2.0
125.02443	9.4
127.07647	9.1
128.48067	1.7
131.03514	17.7
149.04568	68.1
161.04567	4.5
191.05640	15.6
221.06696	4.2
248.17743	1.8
248.68077	1.7
251.07768	5.3
311.10309	2.1
366.37604	1.6
439.18170	57.3
440.18472	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	439.213
Annotation	3'-Geranyl-3,4,2',4'-tetrahydroxy-6'-methoxydihydrochalcone
Peak:m/z	Relative Intensity
51.48681	0.7
51.50157	0.5
52.42691	0.5
58.40029	0.6
65.00320	1.0
68.75994	0.5
69.36938	4.9
81.03452	0.6
83.05029	1.6
93.03468	1.9
106.04263	0.7
107.01434	0.6
107.05038	1.8
115.07663	0.8
119.05042	100.0
120.05392	4.6
121.03013	1.3
122.03745	0.8
125.02444	0.6
133.06621	1.5
135.04546	1.5
136.01735	1.2
137.06052	0.8
143.05029	1.5
144.05798	1.2
145.03001	1.8
145.06630	1.3
147.04538	3.6
147.08200	1.8
149.02432	1.3
149.06071	1.2
151.00421	1.7
151.07732	0.7
159.08226	1.4
161.02492	1.2
162.03255	1.0
173.09714	3.4
181.05101	1.8
187.04089	1.4
188.04793	0.9
194.02319	0.8
217.08716	1.6
219.06752	2.6
229.08781	1.0
243.14162	0.9
245.15459	0.7
257.15756	0.7
267.06870	0.6
275.16699	1.8
279.06696	3.1
285.15176	0.9
303.16074	1.5
319.12073	0.8
319.15533	23.6
320.15881	3.0
323.12805	0.7
337.16791	3.0
407.17871	0.7
409.20764	0.9
421.17007	2.2
435.17044	0.7
439.21722	73.7
440.22040	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	439.1765
Annotation	Xanthokeismin C
Peak:m/z	Relative Intensity
52.08812	0.3
59.01402	0.5
60.15896	0.3
61.07912	0.3
65.00366	0.3
68.99847	0.3
69.51543	1.7
73.33543	0.3
75.65358	0.3
81.03481	0.3
83.57827	0.4
93.03479	1.1
95.01424	0.3
95.05051	0.4
96.96028	0.4
97.06622	0.8
109.11757	0.3
111.00922	0.3
114.72604	0.3
117.03503	0.5
119.05045	100.0
120.05381	4.5
123.04536	0.4
132.05844	0.3
133.06639	0.6
135.04549	0.5
137.09831	0.3
143.05052	1.1
145.02986	1.0
149.02425	0.8
149.09784	0.4
163.04031	0.9
163.07707	0.8
164.04907	0.6
175.07527	0.3
179.07016	0.4
187.04045	0.7
187.11320	1.4
205.05145	0.4
207.06700	0.8
207.13908	0.7
217.08817	0.3
231.06642	0.4
233.04625	2.3
233.11787	0.3
251.12915	16.3
252.13254	1.1
275.12881	1.4
293.13998	3.0
319.08179	0.5
319.11890	8.1
320.12268	0.7
348.49658	0.3
381.17126	0.4
384.68256	0.3
439.11719	0.6
439.17526	9.9
440.17865	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1766
Annotation	Xanthokeismin C
Peak:m/z	Relative Intensity
64.52905	0.2
65.00325	0.5
69.38173	0.2
69.60593	0.7
69.61008	1.0
70.94198	0.2
71.96906	0.3
78.71331	0.3
93.03465	0.9
95.01405	0.6
98.20012	0.6
101.14308	0.3
106.27797	0.3
111.00964	0.3
119.05041	100.0
120.05363	4.4
133.06601	0.9
139.07652	0.5
143.05023	0.6
145.02975	1.1
151.00352	0.3
161.06102	0.4
163.04047	0.8
163.07704	0.5
164.04813	0.3
181.08821	0.5
187.03969	0.4
187.11342	0.5
205.05023	1.4
207.06659	1.6
207.13963	0.5
217.08684	0.8
233.04579	5.1
233.11855	0.7
234.05228	0.3
243.06569	0.3
245.15367	0.4
251.12892	7.4
252.13252	0.4
261.07629	0.3
275.12900	1.5
293.13953	2.7
303.16101	0.4
309.11554	0.3
319.11847	9.2
320.12219	0.9
353.09995	0.4
363.12531	0.4
439.17575	7.9
440.17944	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95537	0.7
65.00372	0.8
68.99856	1.8
69.51935	4.7
71.88265	0.7
83.01413	1.0
91.01913	3.9
93.03529	0.9
110.00115	4.0
115.05615	0.8
119.05033	26.2
120.05453	1.0
121.03008	1.0
123.00965	2.2
124.01741	1.8
133.06639	1.0
135.00935	1.1
135.04608	0.9
136.98872	1.6
137.02481	1.8
137.62175	0.7
137.99600	1.3
139.00398	3.7
139.80818	0.8
143.05138	1.1
149.06125	1.1
151.00436	1.7
151.04019	0.9
151.07686	1.4
152.01204	1.8
153.01900	3.4
163.00378	9.2
163.04156	1.1
165.01956	5.2
165.05493	1.2
165.99150	2.4
166.02739	1.1
166.99968	0.9
168.00691	1.8
177.01952	1.1
177.05653	2.4
178.02826	1.2
178.99922	1.1
179.03418	3.4
180.00778	1.3
189.01900	1.4
189.05667	2.3
190.99947	3.2
191.03520	2.6
191.07227	1.8
193.01453	13.3
193.05040	1.4
194.02188	1.7
203.03598	1.1
204.04373	1.2
205.05078	7.4
207.03082	4.1
207.06743	1.7
219.03027	1.5
219.06618	4.8
220.03616	0.9
221.04585	1.9
222.05414	1.0
223.06166	3.0
232.03743	1.3
233.04555	11.0
234.05081	0.9
235.06148	2.5
236.06885	1.7
246.05376	1.3
247.06143	4.3
250.04832	8.6
251.05612	9.8
259.06241	1.9
264.06390	5.5
279.06543	1.0
283.06140	2.1
283.09583	0.8
311.05554	4.2
313.07162	1.6
325.10965	2.6
340.09381	0.8
343.11954	1.0
344.37576	0.8
353.10175	5.1
354.10818	1.1
370.10593	100.0
371.10931	10.8
421.16644	1.4
435.31186	0.9
439.17596	30.8
440.18030	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	439.1764
Annotation	Alnifoliol
Peak:m/z	Relative Intensity
54.23669	0.9
54.49675	0.9
55.91249	1.0
57.03447	1.4
59.01373	2.6
63.02390	1.2
65.00330	7.7
71.05005	1.5
81.03461	2.5
83.01403	5.7
88.86334	1.0
97.06601	6.0
98.19955	2.8
107.01404	8.7
119.05037	26.7
120.05369	1.4
121.02948	3.0
125.02399	1.7
132.05823	16.0
133.06648	2.0
135.04507	3.5
145.06477	1.1
147.04478	3.7
149.02367	1.8
149.06087	1.1
150.99229	1.5
151.00381	24.1
164.04831	9.5
164.98227	1.5
165.01904	2.2
177.01901	2.3
178.06348	1.6
183.06633	5.1
187.07625	3.2
187.11290	54.4
188.11554	3.9
201.09196	1.6
201.12733	1.9
203.06984	1.4
203.10710	1.2
205.08710	1.9
207.06531	1.8
211.11122	1.9
213.09206	1.6
215.10750	9.2
219.06612	4.1
225.07768	2.0
229.12207	2.5
245.15320	1.6
251.05621	5.5
277.12210	1.4
279.10214	2.0
281.11789	2.5
287.16516	1.0
297.07645	2.3
299.05637	1.8
303.12518	1.7
303.15887	2.7
319.13306	1.6
321.11240	1.3
323.12939	2.9
337.14798	1.7
363.12436	11.8
364.12540	1.3
391.19058	1.6
409.19928	1.8
421.16409	3.1
422.17200	1.2
439.17432	100.0
440.17719	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	439.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28461	0.9
54.40041	0.9
59.92146	0.8
61.03381	0.8
65.00297	0.8
68.99821	3.2
69.36733	6.7
83.01370	2.3
91.01910	4.8
110.00106	5.4
119.05037	21.2
123.00891	2.2
124.01643	2.2
129.94714	0.9
133.06558	2.9
135.00877	2.2
135.04445	1.5
135.08153	1.4
135.85374	0.9
136.01672	1.2
137.02385	1.5
137.99626	5.3
149.02425	1.7
149.06110	1.1
151.00421	5.7
152.01089	2.4
153.01837	1.1
154.83212	0.8
163.00414	8.2
163.04036	8.9
164.01038	1.5
165.01898	0.9
165.78378	0.9
173.06053	1.3
177.01910	1.6
177.05492	3.5
178.06346	7.2
178.97034	0.8
178.99843	2.7
179.07004	1.9
189.05595	2.1
190.99771	2.2
191.03429	4.7
191.07220	4.9
192.07774	1.1
193.65268	0.9
205.01436	1.0
205.05042	4.4
206.05959	5.6
207.06648	6.3
211.63315	0.9
215.49509	0.8
216.04269	1.2
219.06650	8.8
220.07419	5.1
221.08121	2.3
234.05348	23.4
235.06128	12.0
241.04999	1.3
247.06096	2.4
248.06931	10.9
279.06537	3.6
303.19568	1.0
311.05588	3.4
326.11459	1.3
327.12460	2.1
343.51062	0.9
354.11121	100.0
355.11414	11.0
421.16663	1.3
439.17413	29.7
440.17896	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	439.1763
Annotation	Alnifoliol
Peak:m/z	Relative Intensity
52.31366	0.8
61.48488	0.9
61.93909	0.9
63.02386	2.4
65.00331	7.9
69.03459	1.1
69.42519	7.2
72.89140	0.8
77.99133	1.0
80.02629	1.0
83.01394	4.6
86.02502	0.9
93.03458	2.1
95.05011	2.1
99.00848	3.2
107.01385	10.8
107.04994	0.9
109.06546	0.9
110.00051	3.7
111.00838	1.2
117.03426	1.8
119.05040	90.0
120.05314	3.2
121.02973	1.7
123.00812	1.2
124.01617	1.2
125.02428	1.8
127.07617	2.1
132.05740	3.0
133.06577	2.3
135.04457	1.1
137.06041	1.8
139.07639	6.7
141.05530	4.1
143.04970	3.5
145.02966	5.4
146.07320	1.1
151.00386	28.9
152.00978	2.1
155.07121	1.1
160.05238	4.0
161.06007	3.2
163.03964	1.4
164.04814	1.2
165.01875	1.7
165.05586	19.0
167.07086	1.3
174.06792	2.4
177.01961	1.7
179.07129	6.8
180.97731	2.4
187.03951	2.3
187.11189	3.7
188.04698	1.0
189.05521	1.2
189.09341	1.0
195.06516	3.3
197.08154	2.1
201.05542	1.1
201.12926	4.5
205.05078	4.4
206.05795	1.2
215.08896	1.2
215.10779	20.7
223.06061	2.3
229.12416	7.2
269.15277	2.1
275.12756	2.5
282.96893	1.2
285.11407	7.4
293.13959	17.9
297.11111	3.0
301.03427	2.7
301.10712	1.3
313.98605	1.1
319.11594	4.6
319.15396	5.6
325.10736	6.5
343.11789	3.6
363.12201	1.7
367.11545	3.6
370.10373	1.6
378.64032	1.1
421.16199	3.4
439.17282	100.0
440.17725	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1746
Annotation	Abyssinoflavanone V
Peak:m/z	Relative Intensity
59.01388	46.8
67.65335	6.9
69.36828	60.7
91.01849	8.0
111.08212	9.5
119.05040	100.0
135.04559	18.0
165.01941	18.1
165.12854	81.2
177.74858	8.4
227.12708	15.6
367.11490	10.1
421.16364	13.1
439.17670	77.7
440.17938	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	439.1746
Annotation	Alnifoliol
Peak:m/z	Relative Intensity
56.39598	3.4
56.84977	3.9
59.01382	13.5
60.06924	3.0
65.00325	9.9
83.01383	5.3
85.02986	4.2
101.02468	4.8
107.01405	9.6
111.08102	3.8
119.05048	99.8
149.02451	3.8
151.00391	39.9
158.42155	3.9
161.02495	5.1
165.12851	29.5
177.06770	3.2
183.19785	3.8
197.15497	15.7
239.14389	6.7
241.14401	21.8
251.14366	5.9
257.15390	5.9
269.15442	6.1
281.08212	13.7
287.16473	8.8
310.46844	3.5
319.11951	4.2
342.05533	3.7
421.16589	7.7
439.17654	100.0
439.23538	4.2
440.17831	16.8
463.83719	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83686	1.8
60.83768	1.8
65.00327	16.9
68.99815	6.3
71.54647	1.9
83.01402	4.0
93.03476	12.4
95.05029	6.5
107.01347	1.9
107.20721	2.1
110.00128	2.8
117.03483	6.6
117.39844	2.2
119.05049	100.0
120.05375	6.4
121.02961	7.5
123.04540	31.0
127.14387	2.2
130.04257	3.3
131.05043	8.1
132.05873	4.5
133.03015	2.6
133.06621	22.3
135.04549	4.0
136.98793	7.0
139.07703	2.6
143.05066	12.1
145.02948	15.4
147.04533	3.6
149.02477	13.6
150.91986	1.8
151.00360	8.5
151.07607	2.6
154.09161	2.2
157.06609	4.3
159.04520	4.7
159.08134	3.9
161.02428	2.2
161.04919	3.0
161.06102	20.5
163.04030	2.3
165.01939	6.2
165.05571	6.9
167.03525	3.3
169.03001	2.4
170.03694	3.1
171.04491	2.0
173.06076	4.1
175.04007	2.1
175.07635	4.2
177.01965	2.6
179.07176	2.6
181.05075	4.5
185.06049	2.8
187.04053	22.0
187.11180	3.1
188.04680	3.8
189.05565	5.4
189.09232	2.9
191.07088	2.6
197.09538	2.4
199.03963	2.4
200.04782	3.1
201.05600	2.4
202.10028	3.0
203.03625	3.6
203.07095	4.6
204.04253	4.6
205.05087	26.7
211.11266	7.9
215.10776	4.5
216.04240	8.9
219.06569	6.0
223.08124	2.2
226.06242	2.3
226.13451	2.3
228.04431	2.4
229.08759	2.3
234.05170	2.0
242.22127	3.1
245.15468	19.5
247.06154	2.5
253.12363	6.0
255.17467	6.6
257.04602	2.6
257.12000	2.7
257.15485	4.7
262.04843	4.1
267.10321	2.9
271.13446	15.1
273.14920	2.8
273.18591	8.7
279.10275	2.5
280.11011	2.9
281.08237	2.2
281.11786	6.2
283.09683	5.0
285.11609	3.6
285.14948	16.1
286.15387	2.6
289.14493	28.7
289.66464	2.5
296.10507	3.3
297.11273	6.7
301.10580	1.9
303.16028	21.4
304.16400	2.8
308.10672	2.8
315.12491	3.1
324.10040	14.8
325.10812	35.9
326.11600	4.0
349.18103	6.8
352.09479	8.0
353.10269	6.1
359.30463	2.1
377.17877	11.2
377.21609	2.2
393.17065	2.5
395.18253	3.8
407.18530	4.1
439.20996	22.6
440.22385	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	439.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56471	0.3
55.12005	0.4
69.38821	0.3
69.58053	2.2
69.87811	0.3
71.01404	0.3
78.95913	44.6
86.47464	0.3
96.01396	0.4
96.96059	13.3
96.96972	100.0
98.20667	0.4
150.19765	0.3
207.70567	0.3
213.51671	0.3
439.08447	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
68.52452	0.2
69.83318	0.9
69.83730	0.5
78.95911	47.6
96.92267	0.5
96.96055	15.1
96.96970	100.0
138.93208	0.3
290.94479	0.3
336.38821	0.3
439.08411	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
70.28309	1.3
78.95912	45.9
79.95736	2.1
96.96011	88.0
96.96961	100.0
103.24348	0.4
196.63054	0.5
212.51787	0.5
236.85017	0.5
243.76015	0.5
298.64703	0.6
320.85526	0.5
439.08319	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99953	0.3
54.43008	0.3
59.01387	0.6
69.44261	0.7
69.44661	2.3
71.01380	0.5
78.95910	46.4
79.95742	1.1
85.02983	0.5
89.02471	0.7
96.96021	44.8
96.96970	100.0
97.95956	0.7
98.02497	0.4
98.19938	0.8
118.96622	0.9
125.02469	0.6
162.89139	0.3
176.30185	0.3
185.38097	0.3
185.84128	0.3
217.00276	0.5
246.84279	0.3
366.77441	0.4
439.08606	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
57.03445	1.4
58.00598	0.6
59.01388	18.4
68.92610	0.4
69.03450	0.5
71.01015	0.8
71.01392	13.3
71.05030	1.9
71.34714	0.4
71.54964	0.6
72.99316	1.2
73.02959	3.4
81.03461	0.5
83.01402	2.6
85.02962	6.1
85.06592	1.6
86.00104	0.8
87.00879	1.2
87.04530	0.9
89.02452	5.0
95.01376	1.4
99.00877	1.5
101.02445	9.2
101.06072	0.9
111.00900	1.1
113.02454	3.3
113.06114	0.6
119.03500	1.4
122.33110	0.5
125.02457	0.7
137.09697	0.6
139.11298	0.5
155.10765	0.8
157.12340	3.7
163.53841	0.4
164.93459	0.4
188.29346	0.4
202.15138	0.5
211.17059	0.7
213.07402	0.4
257.17624	2.5
273.08548	0.4
275.18671	6.6
300.15552	0.4
311.05634	0.6
341.10901	0.6
419.18134	0.4
419.22906	9.5
420.23425	1.4
437.23947	100.0
438.24225	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	437.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.9
55.56566	0.5
57.03453	4.4
58.00589	1.1
59.01385	47.0
60.98785	0.5
61.06015	0.5
61.98841	6.3
69.03419	1.1
70.69904	0.5
71.01389	51.8
71.55537	0.9
72.01724	1.2
72.19788	0.6
72.99323	2.8
73.02956	25.1
74.03282	0.6
75.00856	1.8
83.01394	19.7
85.02959	32.4
86.00101	1.4
86.03286	1.0
87.00899	3.0
89.01966	0.5
89.02457	5.7
95.01409	4.1
97.02985	3.0
99.00285	0.7
99.00887	10.3
101.02453	62.6
102.02797	1.1
103.04018	3.1
108.06754	0.5
111.00861	1.8
113.02461	19.1
114.02776	0.9
115.04031	0.7
115.05530	0.8
119.03487	1.3
125.02443	3.1
127.11217	0.7
129.01920	2.0
131.03522	0.7
135.04503	2.3
136.04803	0.6
143.03462	2.2
145.05055	1.0
159.02982	4.5
161.02509	0.9
161.04568	21.7
162.04837	1.0
163.06143	1.5
179.03545	2.4
179.05586	0.6
187.03989	1.1
191.01932	1.6
205.03549	0.7
229.07196	1.5
247.08253	1.1
259.02307	0.6
271.02121	0.6
273.17145	0.5
275.13416	0.6
291.18155	100.0
292.18552	8.7
305.19705	1.4
335.17255	1.0
355.11868	1.6
372.57260	0.6
437.12396	0.9
437.23993	27.0
438.18030	0.7
438.24219	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	437.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	7.3
56.80750	0.8
57.03457	5.2
58.00593	2.0
59.01388	46.8
69.03449	1.9
69.35056	4.8
69.35470	1.7
71.01389	65.9
72.01721	1.6
72.99312	2.9
73.02957	39.6
75.00882	1.4
80.99594	0.9
83.01390	14.1
85.02957	36.1
86.00105	2.3
86.03278	1.1
87.00880	5.3
89.02454	14.5
95.01398	6.8
97.02972	3.6
99.00887	14.9
101.02454	70.7
102.02773	1.0
111.00880	2.7
113.02464	23.8
115.04025	1.3
119.03482	1.0
125.02455	5.2
129.01965	1.4
131.03523	3.3
141.12894	0.9
143.03532	3.8
149.04672	1.7
149.83327	0.8
159.03027	4.9
161.04578	23.7
162.04871	1.1
191.05795	0.9
204.13663	0.7
213.14908	1.0
227.15279	0.8
233.06703	3.1
280.31274	0.8
293.08694	1.3
296.11377	0.8
305.19727	100.0
306.20090	9.7
319.11673	0.8
347.20959	0.8
437.23953	86.6
438.24286	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	437.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39707	0.9
55.01887	6.1
55.92743	0.9
57.03452	8.1
58.00602	1.4
59.01387	53.4
60.01722	1.2
61.98803	0.9
69.03448	1.8
70.51162	1.2
70.51516	2.8
71.01391	76.5
72.99308	3.4
73.02954	39.6
75.00903	2.6
81.03468	1.4
83.01395	16.0
83.49815	1.0
85.02962	40.2
86.00117	2.2
87.00880	4.6
89.02451	18.6
89.02958	1.7
95.01404	6.0
96.95993	1.3
97.02942	2.4
99.00894	18.1
99.04527	2.8
101.02457	74.8
110.48349	1.0
111.00854	2.1
113.02460	29.6
115.04080	1.7
119.03510	3.7
119.05016	2.1
123.35796	1.0
125.02480	7.5
129.01991	1.7
131.03500	3.2
135.04561	2.0
143.03499	3.4
149.04575	2.3
159.02998	5.1
161.04578	27.6
179.05670	1.1
205.03653	1.2
209.95609	1.0
231.10318	3.1
233.06676	2.4
239.12874	3.3
250.42578	1.0
251.29283	1.2
263.12924	2.0
291.15097	1.1
291.18063	5.1
293.08963	1.1
293.13995	2.0
305.19730	92.1
306.20062	5.8
356.51535	1.1
401.18146	4.6
437.23947	100.0
438.24384	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	437.197
Annotation	Antiarone E
Peak:m/z	Relative Intensity
59.01400	1.0
60.76612	0.9
63.02407	10.4
65.00330	22.1
69.40036	0.9
69.92193	5.4
76.10831	1.1
77.16721	1.2
83.01395	11.6
91.80556	1.1
95.01408	1.2
107.01404	29.5
119.05037	8.7
125.02493	3.6
142.99846	1.1
151.00381	100.0
152.00760	2.3
165.01974	3.0
169.01442	3.4
177.01938	2.9
187.11244	1.1
196.00395	1.3
198.10507	13.5
199.10863	1.3
200.12175	2.9
227.14449	1.7
229.15947	1.1
230.09457	13.3
232.11095	4.9
252.47095	1.3
253.15993	90.8
254.16226	7.8
255.17560	24.4
256.18027	1.4
275.16827	1.8
285.18628	22.0
286.18878	2.0
301.14520	2.6
304.57385	1.1
321.18494	1.4
365.17578	1.4
368.12766	1.4
374.23193	1.2
405.17072	43.1
406.17291	6.4
407.18530	2.3
424.66525	1.1
437.19785	95.2
438.20139	14.7
442.55136	1.1
453.67084	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01212	0.7
51.83514	0.8
65.00333	13.5
70.70543	1.4
89.00327	3.2
91.01890	3.4
91.22266	1.1
97.02973	8.9
119.05048	1.3
120.05791	1.5
121.02957	3.3
146.07391	34.7
146.79593	1.0
147.07689	1.5
149.99605	4.1
151.00250	1.1
164.01131	1.3
165.01953	68.9
166.02316	4.1
174.82756	0.9
175.11337	7.3
178.06389	26.6
179.03477	2.4
179.06740	2.0
198.10440	1.4
201.12877	97.1
202.13254	7.4
203.10608	0.8
218.19896	0.8
219.06627	1.2
230.09525	1.1
253.16051	6.2
269.72247	1.0
271.17053	29.5
272.17374	3.8
301.14471	0.8
306.55780	1.2
316.30942	0.9
365.14218	1.1
367.15533	10.6
368.12564	2.6
419.18591	2.3
437.19720	100.0
438.20108	14.2
447.89102	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00334	1.7
68.99815	2.5
69.73933	1.7
69.74358	0.9
77.04436	0.4
79.01886	1.2
83.01398	0.5
83.98744	0.4
87.79648	0.4
91.01923	0.9
93.03518	0.6
95.05056	0.5
106.16003	0.5
107.01450	0.5
108.02163	0.5
109.02977	0.6
109.06598	0.7
110.00109	0.9
119.05038	10.8
124.01664	1.3
125.06091	1.0
132.05786	0.5
133.06633	3.7
135.00877	0.9
136.01651	2.1
137.99577	0.8
145.02951	0.6
147.04482	0.8
149.02452	1.5
149.06064	0.7
150.03253	1.4
151.00392	0.9
153.02022	0.7
161.02446	1.6
161.06114	0.5
163.00407	1.0
163.04048	2.0
163.07729	0.7
164.01146	1.6
165.01936	0.6
165.09256	0.7
173.06174	0.9
175.04060	2.2
175.07570	1.0
177.01979	3.5
177.09290	0.6
178.02707	1.0
178.06320	0.8
185.06093	0.5
185.20674	0.4
186.03227	1.2
187.04050	0.7
187.07584	1.0
187.11261	0.8
189.01956	7.4
189.05589	3.6
189.09229	1.3
190.02754	1.4
191.03442	1.4
191.07121	0.7
199.07602	0.7
201.05571	1.2
203.03517	0.5
203.07187	2.6
204.07909	5.4
205.08606	0.8
213.08844	0.4
215.07045	0.6
217.05141	1.9
217.08707	3.6
218.09395	0.8
219.06572	1.3
231.06633	5.5
232.07391	8.3
233.08105	2.8
234.05338	2.4
239.07024	0.6
245.08234	1.7
246.08842	1.0
247.06073	0.6
252.11493	0.6
259.09753	0.7
269.08264	0.5
271.17090	1.0
278.07840	0.5
285.11252	1.1
297.07669	1.2
297.14853	0.6
303.12598	1.0
306.78387	0.5
309.07767	1.3
311.09271	1.8
323.09274	6.3
323.12717	0.9
324.09634	0.8
325.14359	2.3
338.15179	0.9
339.16101	0.6
351.12454	2.0
365.13953	0.6
366.14636	0.8
367.15536	10.8
368.12509	9.7
369.13080	0.9
419.18735	3.5
437.19724	100.0
438.20108	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	437.197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94759	0.6
62.14188	0.6
65.00343	2.4
68.99797	1.1
69.95867	2.6
79.01889	0.7
88.57004	0.5
93.03474	0.9
93.70174	0.6
95.01442	0.6
95.05007	1.0
97.06584	0.6
101.35360	0.6
107.01370	0.6
108.02137	0.7
109.06573	1.6
111.08179	0.7
119.04262	1.1
119.05038	12.7
120.05388	0.8
121.02926	0.9
125.06091	3.7
132.05843	1.0
133.06635	5.2
134.03725	0.7
135.00902	1.1
136.01666	2.3
145.02963	1.2
145.06644	0.8
147.04567	1.0
149.02390	0.8
149.06195	0.6
150.03264	0.7
158.03728	0.7
159.04565	1.4
163.00397	2.9
163.04037	1.2
163.07710	0.6
164.01111	2.0
175.03983	1.7
175.07686	1.4
177.01930	1.7
178.64178	0.6
186.03267	3.2
187.03998	0.9
187.07675	1.0
187.11327	3.9
189.01971	4.4
189.05603	2.4
189.09242	0.8
190.02657	1.3
191.03378	0.7
197.06125	1.3
199.07686	1.6
201.05580	4.3
201.09230	0.8
203.07147	2.6
204.07877	2.4
211.07640	1.4
212.08482	1.3
215.10818	0.8
217.05093	1.2
217.08664	1.3
227.10789	1.1
229.05139	1.0
231.06682	5.2
232.07359	3.3
233.08160	1.7
237.09337	0.8
239.07199	1.8
245.08235	1.3
252.11586	1.8
253.08804	1.9
253.11772	0.9
255.06810	0.9
265.08624	1.2
267.13913	2.2
285.11380	2.1
285.14981	2.2
293.11896	0.8
295.05945	0.8
297.07764	3.5
297.10840	0.8
298.08655	0.7
303.12534	1.0
307.13321	1.3
308.14185	2.5
309.07840	1.0
311.09174	0.8
323.09280	2.9
323.12875	0.6
323.16592	1.9
335.59628	0.6
351.12473	2.3
365.13986	8.6
366.14594	1.4
367.15445	3.0
368.12634	2.4
368.97586	0.6
393.21112	0.9
419.18628	11.2
420.18958	1.0
437.19724	100.0
438.20114	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	437.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66865	0.6
68.99856	2.0
83.01428	1.0
83.99161	0.5
90.18816	0.5
91.01910	3.4
98.20778	0.9
110.00117	3.2
119.05040	5.2
123.00886	1.2
133.06628	1.0
135.04553	1.4
137.99594	4.0
151.00388	3.1
157.06618	1.1
161.06171	0.6
163.00378	5.5
163.04024	4.8
177.05557	0.8
178.06351	4.0
178.99904	1.5
179.06882	0.7
190.99889	1.3
191.03534	3.5
191.07120	2.6
203.79091	0.5
205.05098	1.2
206.05862	3.1
219.06607	4.8
220.07031	0.8
233.04657	1.4
234.05339	11.5
235.05757	1.0
247.06227	2.2
253.74989	0.6
297.07709	1.7
325.07202	4.1
325.10721	1.1
341.13904	2.2
353.10385	1.5
368.12665	100.0
369.13004	14.0
419.19025	1.2
437.19696	20.9
438.19833	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	437.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00336	13.9
71.30903	1.5
71.41167	0.8
89.00351	2.7
91.01923	3.5
97.02982	8.8
100.27713	0.8
119.05056	1.1
120.05803	1.1
121.02959	5.7
123.39561	0.7
126.01641	0.6
138.03229	1.0
146.07399	30.5
147.07732	1.0
149.99640	4.5
152.04800	0.8
152.65546	0.5
154.61017	0.7
164.01184	1.1
165.01970	69.5
166.02365	3.2
175.11314	5.1
176.11603	0.8
178.06396	26.7
179.03523	1.7
179.06822	1.6
183.03015	0.8
191.03615	1.0
198.10602	1.6
201.12886	100.0
202.13286	5.9
219.06735	0.8
230.09662	1.0
231.90759	0.6
234.05418	0.7
238.03459	0.8
245.15446	0.9
247.22533	0.6
253.15981	7.6
271.17078	25.3
272.17435	3.0
297.14896	0.8
339.12326	1.1
351.16409	0.7
367.15552	11.2
368.12329	1.1
368.16254	1.2
437.19739	86.3
438.20108	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	437.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28250	0.5
65.00328	0.8
71.31275	1.2
79.01898	1.1
93.03467	1.5
107.05058	1.0
109.06626	0.7
119.05042	17.8
133.02893	0.6
133.06610	2.0
135.00899	0.7
136.01604	0.7
143.08687	0.7
145.03003	0.9
151.00398	1.3
157.06659	0.6
163.07623	1.3
171.04634	0.6
175.07658	0.9
176.01157	0.7
177.09265	1.5
186.03246	3.5
187.04002	1.8
187.07675	2.7
188.04753	1.2
189.01923	1.1
189.05580	0.9
190.02808	0.7
199.07701	0.7
201.01978	0.8
201.05629	4.5
201.09224	2.5
202.06265	1.1
203.07138	2.3
215.03516	0.8
215.07169	1.4
216.07912	1.0
217.08722	1.5
225.05669	0.7
229.04803	0.6
229.08731	0.9
230.05856	1.2
231.06650	14.1
232.07060	1.0
241.12328	0.6
243.06625	3.2
244.07353	2.5
245.08220	6.8
253.05002	0.7
257.08191	1.0
258.08942	0.6
267.06702	0.6
276.06412	1.1
303.12378	4.5
307.06293	0.7
337.14496	1.1
350.11542	1.3
359.31604	0.8
363.12411	2.0
365.13965	31.5
366.14316	4.4
368.12552	1.4
379.11539	0.8
379.15646	9.3
380.15894	1.0
408.78378	0.6
419.18649	1.5
437.19720	100.0
438.20016	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	437.1973
Annotation	Gerontoxanthone E
Peak:m/z	Relative Intensity
55.63712	0.7
65.00011	1.2
65.00332	15.5
68.99798	1.1
71.54433	0.8
89.00333	5.1
91.01917	3.5
94.35815	0.7
95.01411	1.1
97.02966	11.3
107.01360	0.7
108.02213	0.8
111.00951	0.8
112.98791	0.9
117.03465	0.9
119.05038	9.1
120.05408	0.8
121.02986	5.0
127.00278	0.7
135.04538	1.3
136.01717	0.9
145.02994	1.0
149.99619	5.2
151.00401	1.3
163.00391	0.7
164.01210	1.3
165.01953	72.5
166.02274	3.3
178.06380	1.4
179.03535	1.2
186.10529	2.3
187.02438	1.1
187.11331	1.1
191.03532	0.7
198.10510	8.3
199.10837	0.7
200.11958	1.4
201.05563	1.2
201.12848	2.3
213.12822	0.8
215.14383	1.7
218.09491	3.9
227.14400	2.4
230.09471	9.8
232.11047	2.2
241.16002	32.5
242.16348	3.8
245.15457	2.0
248.10503	0.8
253.15999	40.3
254.16350	4.8
271.17065	38.6
272.17361	3.7
368.12466	1.7
405.17102	1.4
419.18668	1.6
437.19757	100.0
438.20184	15.2
449.82385	0.7
459.68414	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65997	1.0
57.03449	4.3
59.01388	13.0
68.99831	1.1
71.01388	16.6
72.99324	4.1
73.02962	2.6
75.00883	14.3
83.01383	1.5
85.02966	18.3
87.00882	6.2
89.02460	3.4
93.03467	1.6
95.01398	3.4
96.96015	1.0
97.06595	7.6
99.00896	10.4
100.26897	0.9
101.02462	1.6
103.00376	1.3
111.00868	1.3
113.02475	15.1
115.00406	2.7
117.01995	1.2
123.08178	6.6
125.09745	68.4
126.10110	3.9
129.01961	1.8
157.01497	1.9
165.01970	1.9
169.08771	2.0
175.02458	2.3
179.03532	2.0
180.04323	1.7
187.09785	48.0
188.10095	2.2
195.06569	1.5
225.07668	1.5
231.05170	1.2
249.06161	11.0
261.13367	7.9
264.86624	1.0
267.07288	2.4
345.22775	1.7
363.24045	4.6
375.16614	1.7
389.16309	2.1
419.15643	4.2
429.99127	1.1
437.16681	100.0
437.23511	6.1
438.16949	10.7
454.61005	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1971
Annotation	Gerontoxanthone E
Peak:m/z	Relative Intensity
52.19656	0.8
59.01388	0.8
79.01908	5.9
79.05558	1.0
82.99131	0.9
86.41443	0.8
91.01923	1.6
93.03470	1.6
95.05022	1.5
106.04291	0.8
107.05007	1.2
108.02180	1.0
109.02997	1.6
119.05042	15.3
119.08776	0.8
120.05300	1.0
121.02979	1.9
122.03745	0.9
123.04542	5.5
125.02514	0.8
130.04283	2.7
131.05060	1.9
133.03014	2.6
133.06621	2.6
135.00894	1.0
135.04643	0.7
136.01694	0.9
143.05005	1.8
143.08646	2.2
144.05849	1.2
145.06612	4.1
149.02432	1.2
150.03232	1.2
151.00383	1.4
157.06584	2.9
157.76706	0.8
158.07431	0.9
159.04593	1.4
159.08157	4.0
161.02429	1.3
161.06088	1.4
162.03172	0.8
163.07680	4.0
165.01947	0.7
171.08183	0.8
173.06033	1.0
174.38171	0.7
175.03918	0.9
175.07632	2.1
185.06094	1.6
187.04001	1.9
187.07668	9.4
187.11299	0.9
188.04720	1.4
189.05661	2.2
201.05615	2.2
202.06441	0.7
203.07166	5.0
205.04987	1.4
227.14429	2.2
229.05124	0.8
231.06639	34.5
232.07048	2.4
237.05632	1.3
245.08144	1.9
245.15639	1.1
253.05159	1.2
267.06735	1.0
271.13397	15.8
272.13782	1.0
280.10944	1.1
285.11411	1.8
285.15146	0.8
286.71625	0.9
289.14496	16.5
290.14816	1.5
299.12976	2.8
301.14478	2.4
303.12463	2.1
323.12952	8.0
324.13260	1.3
337.14413	1.1
340.09613	0.8
365.13953	18.2
366.14417	1.7
368.12796	1.8
377.17557	4.2
379.15619	2.4
393.17456	1.0
395.18906	1.6
405.17096	31.8
406.17450	4.3
419.18735	2.7
437.19812	100.0
438.20160	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	437.1585
Annotation	Ugonin N
Peak:m/z	Relative Intensity
57.03459	3.4
59.01384	11.7
61.98832	1.7
62.00438	1.4
65.47382	1.4
69.03450	1.6
69.41673	11.8
71.01395	9.8
72.57296	1.6
72.99300	2.1
73.02960	2.6
79.95744	1.6
85.02988	5.5
89.02477	4.0
96.96024	100.0
101.02448	4.0
109.02954	2.4
112.44141	1.6
113.02463	4.3
121.33900	1.4
125.02393	1.8
129.05536	1.6
151.04062	4.1
176.52727	1.6
177.02045	2.2
187.09866	1.9
231.06862	3.3
249.06242	2.5
274.98773	3.3
275.09219	2.1
305.12369	1.6
343.13892	1.9
366.88733	1.7
383.17258	1.5
403.80124	1.6
437.10657	2.5
437.15927	19.4
438.16226	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	437.1611
Annotation	Haperforin C2
Peak:m/z	Relative Intensity
59.01385	9.6
62.40795	1.9
65.00311	2.4
69.52225	11.7
72.64999	1.6
78.95892	1.5
106.90961	1.5
107.01415	1.7
107.05038	2.6
109.06610	11.1
111.04539	3.7
119.01424	3.0
119.05033	17.4
121.02984	2.6
121.06573	1.9
124.51685	1.4
128.50478	1.8
132.05850	17.9
137.06107	16.3
139.03996	2.1
147.00908	4.6
148.64586	1.6
156.05861	10.8
157.52904	2.0
161.09689	4.1
164.04816	10.2
181.05099	6.3
187.11301	38.3
188.04823	7.9
188.11603	3.2
189.05531	3.9
189.09196	4.7
193.67790	1.6
196.93887	1.6
197.06071	3.0
198.06851	5.1
205.05110	2.3
208.81242	1.7
209.06233	2.4
211.08151	2.0
211.11317	41.9
212.11702	4.3
213.09206	6.8
218.05959	2.0
219.96431	1.7
223.06084	2.5
251.07169	2.9
253.12350	21.3
254.12637	3.3
255.10287	6.5
256.10886	1.7
267.10156	1.9
279.10672	2.2
279.17618	2.9
281.11826	2.8
293.11948	3.7
295.09662	1.7
297.11264	4.3
307.13318	3.4
321.18713	2.9
326.87781	1.7
335.12915	3.8
355.11865	4.0
365.17627	13.0
369.17017	2.0
393.17065	43.1
394.17548	5.3
409.16498	3.5
418.88861	2.0
437.16086	100.0
438.16406	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1458
Annotation	sec-o-Glucosylhamaudol
Peak:m/z	Relative Intensity
59.01387	51.1
61.98853	0.5
69.51044	2.3
69.51447	0.7
71.01387	2.0
73.02959	1.1
73.95190	0.4
75.00888	0.8
76.83051	0.4
77.03989	0.9
79.01891	0.9
85.03001	0.9
89.02476	1.1
97.19543	0.4
97.92960	0.5
98.20638	0.8
101.02429	0.7
102.28019	0.4
103.25924	0.4
105.03499	1.0
107.01374	0.5
107.63622	0.5
112.85084	0.4
113.13762	0.4
121.02937	1.1
123.04488	0.4
123.08154	1.1
123.95309	0.5
125.02440	0.7
125.06116	0.7
125.39650	0.4
143.05035	2.2
147.04552	0.5
149.02448	3.7
159.04507	0.5
161.02490	0.9
163.04041	2.0
173.06149	0.9
175.03922	0.8
181.54150	0.5
189.05573	0.6
190.02690	0.4
191.03554	0.8
202.06717	0.5
203.03574	0.7
203.10771	0.5
204.04295	0.6
216.00697	0.8
217.05064	24.6
218.05841	30.8
219.06313	3.0
227.03542	0.8
228.04262	0.8
229.04958	0.7
230.05826	1.1
231.10342	0.7
232.07413	1.8
232.10902	0.5
233.08160	3.3
245.08170	1.0
247.09764	62.3
248.10083	4.6
256.54953	0.5
257.08215	4.4
259.09833	0.7
271.09729	0.6
273.07727	0.6
275.09277	100.0
276.09592	9.6
278.07898	0.7
287.09280	6.8
288.09686	1.0
289.10980	0.6
299.09280	0.8
305.10419	2.5
317.10101	0.8
341.10318	0.7
377.12460	12.7
377.17319	0.6
378.12772	1.4
395.13364	0.7
437.14532	60.5
438.14838	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	436.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.7
59.01388	16.9
60.01716	2.4
61.02515	0.8
61.35106	0.8
61.98840	100.0
69.31304	7.5
71.01394	3.7
75.00891	1.3
77.85462	0.8
81.03465	2.5
83.01424	1.4
85.02962	9.7
87.00877	1.4
87.04528	3.7
88.04864	0.9
93.03488	1.9
101.02430	1.4
113.02477	1.5
119.05037	2.0
123.04532	4.1
124.04865	2.4
125.02445	2.1
129.01942	1.5
147.02972	0.9
151.04027	1.3
163.03976	0.9
167.03522	10.5
168.03873	6.9
179.03529	1.3
191.02002	2.9
237.05844	0.8
249.06302	0.9
273.07776	6.0
274.08072	15.9
291.07251	1.9
436.18799	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	4.1
62.45675	3.2
63.02417	8.5
65.00339	32.0
69.80050	6.8
69.80445	10.1
73.07981	3.9
79.95767	5.5
83.01393	11.7
90.45744	2.9
91.01905	7.0
96.96024	92.4
98.19936	4.5
106.04263	3.7
107.01405	29.0
116.16596	3.4
119.05041	91.2
121.03012	4.7
131.05057	3.9
132.05803	7.0
132.98170	9.4
135.00873	4.6
135.04523	8.1
150.99214	6.2
151.00386	100.0
152.00751	5.4
153.01898	5.3
161.02367	5.0
161.09743	5.0
163.00362	3.2
164.04802	7.2
167.06458	3.2
169.01393	4.2
187.11369	19.0
202.35057	3.5
205.01311	3.4
222.99234	13.9
233.08246	4.0
279.06573	4.1
279.93182	4.3
339.12421	28.7
351.09149	3.5
361.10779	6.0
368.12714	8.1
395.08145	9.1
405.16910	6.4
437.09439	86.9
437.15497	22.3
437.19797	27.5
438.09476	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	436.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.0
57.03452	7.7
59.01390	49.3
59.33953	2.3
61.98819	2.2
69.03469	5.7
71.01391	100.0
71.55079	3.2
73.02953	28.5
77.55005	2.1
81.03496	3.4
82.02989	3.1
83.01411	14.2
85.02966	50.0
85.04070	19.4
87.00899	7.5
87.05670	4.9
88.04043	3.5
89.02448	34.6
95.01411	9.1
97.02927	4.7
99.00890	12.7
101.02464	55.2
103.81490	2.2
109.02902	2.6
113.02470	30.9
119.03516	5.9
119.05038	2.9
123.04547	3.6
125.02473	8.0
127.05115	5.6
128.03571	51.0
131.03506	4.8
135.05644	3.2
138.05637	2.8
141.09198	3.0
143.03448	3.2
143.10806	13.1
149.04541	8.6
157.06187	31.2
158.06496	2.7
159.03021	7.2
161.04568	49.3
166.06221	3.3
174.02367	4.6
183.15599	2.6
195.02943	2.3
196.07224	5.6
201.11273	7.0
201.87532	3.1
230.08971	2.9
274.08051	2.6
286.10440	8.8
297.12662	2.2
305.16068	68.5
320.09229	81.8
321.09610	6.3
437.20377	14.1
437.27176	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	13.0
59.01384	5.1
61.98851	1.2
63.02405	1.7
65.00332	4.0
69.18958	10.3
71.01383	3.4
78.75307	1.0
83.01392	4.3
85.02956	4.1
85.04099	1.2
88.49845	0.9
89.02454	2.9
93.03470	1.8
95.01408	6.5
101.02483	1.1
103.15386	0.9
107.01392	4.7
111.00896	3.7
113.02467	1.6
117.03487	2.6
119.05045	6.9
123.00922	5.9
123.01730	1.4
124.01681	11.7
125.02465	100.0
126.02795	3.1
128.07193	2.4
137.02475	3.0
139.00400	3.2
145.02974	28.2
145.04131	1.4
149.02399	1.7
151.00383	29.3
151.01601	1.7
152.01175	38.8
153.00169	2.9
153.01540	1.1
154.00957	7.6
154.05168	1.6
165.01978	7.8
166.02740	1.2
169.01474	1.0
178.99883	40.2
179.98860	2.4
180.00401	2.4
182.00441	6.1
185.99937	2.6
187.04033	2.4
191.01863	1.3
197.02766	3.6
201.11208	1.4
204.02539	1.3
206.00478	2.6
207.98351	4.8
216.08723	1.1
219.01289	1.4
220.01883	2.5
221.02802	2.1
223.00722	13.4
224.01424	2.5
229.05029	3.3
230.00432	1.5
230.11800	6.4
245.02754	5.1
246.03543	1.8
247.00790	5.5
248.01440	8.2
249.99377	1.7
255.03041	1.6
257.04398	2.8
261.02301	1.8
262.03171	1.7
263.03903	5.0
272.01511	2.2
274.10910	18.9
275.11166	2.4
277.76746	1.2
283.02539	4.2
287.03909	2.9
288.00955	2.1
290.02548	18.3
297.04300	1.6
305.04916	15.5
306.02039	4.9
306.05054	1.2
316.00513	19.9
317.01044	1.8
321.04361	11.4
331.02832	43.2
332.03241	3.7
349.03888	86.7
350.04202	8.6
356.79099	1.1
370.64639	1.2
408.07626	1.5
418.06165	11.0
419.06262	1.8
436.07120	38.1
436.15778	5.5
437.07574	4.5
437.14011	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59117	0.4
54.17811	0.3
55.01888	0.5
55.47409	0.4
59.01387	100.0
60.01735	1.3
60.22201	0.4
61.01814	0.3
61.72052	0.3
64.29922	0.5
67.08488	0.3
69.45262	2.4
71.01399	2.2
73.02966	1.1
85.02969	1.4
89.02438	0.6
98.19923	1.0
99.00906	0.6
101.02444	2.2
113.02490	1.2
139.89749	0.4
151.04034	2.4
157.23294	0.4
157.25008	0.4
161.04634	1.6
161.25829	0.5
272.33353	0.4
273.07660	1.0
375.24002	3.7
378.57581	0.4
435.30292	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87561	0.5
57.03455	14.3
57.82234	0.5
59.01380	4.0
59.93885	0.5
60.59326	0.5
61.39690	0.5
65.00314	0.4
71.01388	1.9
71.54771	0.7
71.82146	0.4
72.99337	0.5
73.14225	0.5
81.03473	1.4
83.01405	3.6
85.02969	1.5
89.02444	1.1
95.01405	0.9
101.02450	1.0
107.01414	0.7
113.02431	0.8
119.05033	0.5
124.01713	0.9
125.02460	100.0
126.02790	3.7
145.02983	0.9
150.03207	0.7
151.00354	2.8
151.04025	1.1
151.99397	0.5
152.01215	2.4
154.00978	0.8
163.99387	4.3
165.05615	1.1
166.02733	1.3
173.53857	0.5
178.99902	1.7
179.01733	2.6
179.03151	0.6
179.98900	4.1
181.05110	1.5
194.05508	0.6
195.01332	2.7
206.04643	0.5
207.98334	1.7
221.02907	1.2
223.00787	3.3
246.03773	0.7
248.01448	0.8
263.03857	1.0
272.01489	0.6
282.01642	1.1
283.02472	1.6
288.07123	0.6
297.04056	3.4
305.04880	1.6
305.16107	0.7
316.00439	0.7
316.08780	0.8
331.02893	6.7
349.03812	3.1
374.07175	1.4
418.06042	0.7
436.07147	6.9
437.08234	1.4
437.14719	0.9
437.24124	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.1
57.03460	1.9
58.00602	3.4
59.01387	100.0
60.01718	1.5
61.98827	0.6
66.49425	0.3
69.03452	2.0
69.32093	2.6
70.59317	0.3
71.01391	53.5
72.01739	0.8
72.99319	4.7
73.02955	24.5
74.03280	0.5
75.00887	0.9
81.03455	0.7
83.01392	7.6
85.02960	17.1
86.00115	1.1
87.00890	8.4
87.01395	0.7
87.04517	3.2
89.02456	53.8
90.02799	0.9
95.01395	2.8
97.02959	1.8
98.71164	0.3
99.00884	2.0
99.04534	0.8
101.02456	53.8
102.02757	0.9
103.04025	16.5
107.03562	0.3
113.02467	16.0
114.02821	0.5
115.04020	5.1
116.04343	0.4
119.03519	24.2
120.03847	0.6
125.02470	4.5
127.04034	1.8
127.11318	0.3
131.03522	8.7
143.03514	12.5
144.03886	0.4
145.05075	5.3
146.05472	0.4
149.04570	0.8
161.04565	3.6
163.06142	31.7
164.06441	0.8
179.05621	5.9
179.07063	0.7
181.72510	0.3
196.39262	0.4
205.07188	25.2
206.07539	1.5
247.08075	0.5
247.62039	0.3
249.91243	0.3
265.09216	1.4
289.16492	1.5
303.18042	0.6
338.71243	0.4
400.73074	0.3
435.22104	6.1
436.22397	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48037	1.6
56.74967	1.8
57.03431	2.3
58.30732	2.0
59.01384	90.1
61.98841	3.0
71.01387	24.1
71.55142	2.9
71.84064	1.6
72.99326	2.8
73.02960	9.8
75.00865	3.1
83.01401	6.4
85.02965	16.6
87.00870	3.3
87.04523	6.6
89.02457	6.5
95.01395	1.8
99.00881	4.7
101.02455	20.1
103.03983	2.0
111.00932	1.6
113.02448	10.8
119.04976	2.3
125.02436	2.8
143.03516	2.0
156.98502	1.7
159.03064	2.1
161.04587	10.2
161.06934	1.5
163.04002	2.3
181.28586	1.7
183.13869	10.0
195.13947	8.6
213.14975	100.0
214.15309	7.4
255.16054	2.2
257.52252	1.6
303.18219	14.2
314.15387	1.7
375.08591	1.8
435.21960	33.6
436.22678	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2242
Annotation	HC Toxin
Peak:m/z	Relative Intensity
57.03435	2.2
58.00592	2.5
59.01385	100.0
60.01709	1.2
61.98823	2.2
69.03455	1.4
71.01389	48.3
71.05030	0.9
72.99310	3.8
73.02957	5.4
75.00871	2.0
81.03458	3.1
83.01385	5.6
84.02174	1.3
85.02962	14.3
85.56892	1.1
87.00878	2.0
87.04521	25.8
87.10695	1.0
88.42170	0.9
89.02454	48.6
90.02785	1.4
95.01388	3.1
97.02940	1.6
98.20885	0.9
99.00882	2.3
99.04515	5.2
101.02455	38.3
103.04031	1.1
108.77625	1.0
109.02913	1.1
113.01721	1.6
113.02466	19.2
115.04008	4.5
115.21708	1.0
119.03520	27.8
119.04947	1.4
125.02464	1.9
131.03499	3.9
131.72189	0.9
135.04559	1.1
135.85254	1.1
138.13171	0.9
143.03564	4.6
149.04578	2.0
161.04544	6.5
163.06064	2.4
163.11270	1.1
175.14780	1.1
179.03491	1.2
179.05576	4.7
181.12381	1.1
193.15979	14.3
205.07227	2.2
236.14137	1.6
237.14972	5.6
255.15979	3.2
273.20703	1.5
292.83115	1.1
303.18262	4.7
399.20346	1.4
435.22296	42.4
436.22650	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	435.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.3
56.99832	0.3
57.03456	2.3
58.00603	4.7
59.01385	100.0
60.01734	1.3
60.02008	0.3
61.98845	0.8
63.27267	0.3
69.03460	1.9
69.35333	0.7
69.35741	1.6
71.01389	65.7
72.01730	1.0
72.99314	6.5
73.02953	24.8
74.03297	0.3
75.00875	1.4
81.03426	0.6
83.01397	9.8
83.05054	0.4
85.02960	19.7
85.06648	0.4
86.00116	1.3
86.03326	0.3
87.00882	9.4
87.04520	3.4
89.02454	60.5
90.02794	1.2
95.01392	3.4
97.02956	1.7
99.00915	2.2
99.04536	0.8
101.02454	63.0
102.02801	1.3
103.04024	16.4
104.04354	0.4
113.02460	18.5
114.02773	0.5
115.04031	5.4
119.03510	25.2
120.03823	0.5
125.02473	4.0
127.04030	2.1
131.03514	10.1
133.05151	0.3
143.03516	14.2
144.03883	0.6
145.05078	5.4
149.04575	1.9
159.02951	0.3
161.04564	3.7
163.06146	36.7
164.06470	1.0
179.05630	6.9
191.62134	0.3
205.07196	27.2
206.07512	1.2
229.07257	0.3
247.08229	0.7
265.09317	1.5
273.20779	0.6
289.16669	1.8
303.18109	0.9
389.79926	0.3
393.21149	0.3
413.21811	0.3
435.22031	6.2
436.22803	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
55.90135	0.5
57.03454	0.7
58.00354	0.5
58.00594	2.8
59.01387	78.9
60.01711	0.9
65.24138	0.5
69.03467	0.6
69.35708	4.2
69.40030	0.5
71.01391	60.7
72.01736	1.1
72.99314	2.5
73.02956	19.1
75.00876	1.0
83.01390	1.4
85.02962	7.2
87.00879	1.9
87.99828	0.5
89.02455	100.0
90.02788	1.3
94.88457	0.5
95.01389	2.2
97.02952	1.4
98.19875	0.9
99.00888	27.7
101.02454	37.4
101.72628	0.5
102.02781	0.9
113.01723	0.9
113.02470	12.4
115.04091	0.7
119.03522	11.4
125.02467	5.2
131.03519	17.2
143.03551	2.9
145.26868	0.5
149.04572	54.2
150.04839	1.2
161.04578	4.2
179.05615	5.4
191.05661	13.8
192.05753	0.5
221.06628	1.9
233.06664	0.5
251.07825	2.9
293.08701	0.8
303.18115	0.8
435.22397	15.3
436.22220	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	435.224
Annotation	HC Toxin
Peak:m/z	Relative Intensity
55.01885	1.3
57.03439	2.5
58.00597	1.2
59.01389	20.1
65.43255	0.7
69.42477	5.0
71.01392	14.2
71.05029	3.2
72.99308	1.3
73.02953	4.5
75.00866	1.1
81.03468	0.7
83.01406	2.6
83.69196	0.7
85.02962	11.8
85.06579	1.6
87.00887	1.8
87.04513	2.3
89.02459	5.8
92.49245	0.6
95.01395	1.6
97.06615	0.7
99.00872	2.4
101.02457	10.6
109.06579	1.1
113.02469	6.0
115.04041	6.0
118.08185	0.6
119.03521	1.5
123.04498	1.1
125.02416	1.3
132.15903	0.6
161.04562	1.2
164.66998	0.6
167.10780	1.4
185.11853	9.8
237.14905	1.0
237.49812	0.6
249.06271	0.7
255.06377	0.7
255.16058	4.3
267.07324	1.0
273.17151	7.2
282.69595	0.7
304.93134	0.7
349.18646	0.9
417.21219	4.8
435.22357	100.0
436.22626	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	435.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.9
65.00340	1.1
68.70986	0.4
68.99821	1.2
78.95912	2.0
79.05540	0.5
83.01392	1.2
87.62443	0.5
103.05547	0.6
105.07144	1.1
107.05019	0.5
109.06602	1.4
115.05544	1.6
117.03503	1.8
118.04293	2.2
119.05044	16.5
121.02984	0.6
131.05048	7.9
132.05847	6.2
133.06612	24.0
134.06950	1.3
143.05099	0.6
145.02988	1.0
152.99606	2.0
153.99902	0.6
154.99994	1.0
159.04506	2.6
161.02425	1.4
161.06134	1.1
163.11378	0.5
175.04041	2.5
175.07683	1.0
176.04776	1.3
177.05583	1.3
178.06386	1.0
181.06552	0.5
186.03264	2.5
187.04083	0.6
187.61754	0.5
188.04863	2.1
189.01935	2.4
189.05560	2.5
190.02625	0.7
190.06354	2.6
197.06064	0.6
199.07498	0.5
201.05620	1.9
203.03497	5.2
203.07176	2.2
204.04266	5.3
205.05075	26.0
206.05403	1.6
217.05118	0.8
218.05852	3.5
222.05333	0.8
223.07635	0.7
225.05591	2.5
232.03726	2.0
233.11833	1.2
237.09244	1.4
241.08888	0.6
251.10840	0.8
252.11560	1.3
261.09183	0.7
262.10077	1.0
267.06665	0.7
267.14063	0.7
268.07349	1.9
277.12512	0.6
295.09741	1.4
295.13080	0.5
296.06973	0.7
296.10492	0.7
309.07642	1.8
311.12994	0.7
321.11401	1.2
323.09256	2.4
324.09961	2.7
338.11664	1.2
339.12381	100.0
340.12689	10.3
351.08932	0.7
366.11105	10.9
367.11487	1.0
417.17285	0.5
435.18143	16.7
436.18500	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33913	0.8
55.01860	2.3
57.03456	5.2
58.00609	1.4
59.01387	32.7
68.99838	1.7
69.03471	2.9
71.01391	23.4
71.05013	1.2
71.55286	0.9
72.99315	5.4
73.02959	4.3
75.00885	17.0
81.03464	1.2
83.01398	2.6
85.02957	32.0
85.06618	0.9
87.00884	7.2
89.02455	9.5
93.03461	1.6
95.01408	5.8
95.13918	0.8
97.06595	1.1
99.00893	10.6
101.02456	9.2
102.17236	1.0
103.00367	1.8
109.02969	1.3
111.00911	1.5
111.04555	1.4
113.02464	28.0
113.09759	6.4
115.00359	2.5
115.07648	3.3
117.01960	3.3
119.03492	2.0
123.04496	1.5
125.02459	1.4
125.09711	2.1
129.02023	2.1
136.07803	1.2
137.02451	1.3
145.03020	1.3
149.13499	0.9
160.84451	0.9
167.03471	1.6
175.02460	2.6
185.11852	100.0
186.12228	5.9
231.05153	2.9
249.06183	25.8
250.06456	1.4
255.15921	1.0
269.14035	0.9
269.76398	1.2
273.07495	2.6
273.17090	1.4
287.14951	1.6
333.71646	1.0
349.18692	1.1
417.17645	3.0
435.18185	91.4
436.18411	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	435.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51409	0.8
58.56046	0.8
65.00331	1.8
68.99836	1.1
69.57317	4.7
76.99299	0.7
109.06624	3.1
119.05051	9.7
129.36781	0.9
133.06615	7.7
136.01666	1.2
143.90508	0.8
147.08185	1.2
149.02454	1.1
151.07674	2.9
151.70891	0.7
152.99615	0.7
159.04550	1.1
161.02487	4.6
163.00386	1.9
175.00404	3.7
175.07645	3.2
176.01158	3.2
177.02055	1.0
186.03265	3.4
189.01996	1.8
189.05508	1.3
190.06395	1.6
201.05612	2.9
203.03580	1.5
204.04205	0.7
211.33508	0.8
217.05104	1.5
218.05843	2.0
219.06639	9.7
232.07423	1.8
264.06357	1.8
283.06009	1.5
295.06238	5.0
309.15002	2.2
311.13037	1.5
313.05545	0.9
353.13977	100.0
354.14377	12.1
393.12106	1.0
435.13269	5.6
435.17725	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	435.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86820	1.2
54.26819	1.2
54.31451	1.3
57.02011	1.3
59.01404	1.5
65.00320	2.4
68.99804	1.6
72.62156	1.3
79.05526	1.5
93.03462	5.1
98.00071	2.7
98.20661	3.4
99.00880	3.4
101.28204	1.7
107.05061	2.4
108.02175	2.3
109.06598	5.2
117.03473	7.0
119.05043	34.1
120.05384	1.9
131.05034	4.8
132.05843	2.7
133.02954	1.7
133.06589	5.3
135.00909	1.8
136.01711	1.7
143.04993	1.7
145.02966	3.4
145.06602	2.5
147.04565	2.6
156.68910	1.5
157.06473	2.0
158.03731	3.9
159.04492	5.7
161.02397	2.8
161.06084	1.8
167.07129	3.0
169.06535	1.6
169.07921	1.4
171.04478	1.7
173.06126	4.9
174.03241	2.6
175.03998	2.0
176.04915	2.0
177.05580	2.9
183.04422	1.3
185.02484	3.6
186.03227	25.6
187.03926	4.5
187.07646	2.3
187.11194	2.1
191.07211	1.4
197.06035	1.7
198.06718	1.6
199.04073	3.9
199.07613	3.5
201.05591	13.6
202.06107	2.0
203.07214	3.2
211.03873	1.4
211.11224	4.8
212.11522	1.5
213.09204	3.8
214.06383	1.8
223.07762	2.5
224.04887	1.9
225.05576	3.2
227.10744	3.8
229.08763	5.9
229.12328	2.5
233.11829	2.9
235.07613	2.3
235.11279	5.6
236.04779	1.9
238.10172	1.7
239.07048	1.7
241.12126	1.6
242.13072	2.4
247.07715	2.9
248.08496	4.0
249.09190	2.2
250.09810	1.6
251.07219	3.4
251.10701	2.4
252.04256	1.4
253.12236	2.8
255.10228	1.7
257.11899	5.1
261.09232	2.1
262.06424	1.6
262.09723	1.6
263.10782	13.2
264.11597	2.1
265.08719	1.4
266.09564	2.7
267.06729	3.0
267.10190	1.4
269.11816	3.7
277.12347	3.4
278.13049	3.9
279.10330	9.6
279.13617	1.9
281.11829	3.5
289.12326	2.1
293.11899	5.6
295.06290	1.5
305.12109	1.9
307.09851	15.6
308.10178	1.8
311.12778	2.0
315.12299	3.0
319.13507	2.0
321.11252	3.2
322.12103	17.8
323.12692	2.3
332.17734	8.4
336.82974	1.4
347.20236	15.5
348.17401	5.0
353.13992	39.2
354.14191	4.2
363.19730	46.2
364.20163	5.7
366.11090	5.5
366.38141	1.5
376.16925	2.5
391.19202	47.7
391.89526	1.6
392.15195	1.6
392.19476	7.3
407.18707	9.2
408.19156	1.5
435.18192	100.0
436.18387	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	435.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51643	0.6
57.03447	1.2
59.01387	37.2
60.01356	0.5
60.01693	1.1
60.09184	0.5
60.99305	1.3
61.01794	0.6
61.98839	15.8
69.70137	3.0
71.01392	5.5
72.01722	0.6
72.99310	0.7
73.02949	1.5
75.00872	1.9
83.01396	0.9
85.02949	3.4
85.97233	0.5
88.98819	9.1
89.02430	1.8
90.01578	0.6
93.03455	1.9
95.01395	1.1
99.00862	1.0
101.02441	3.2
107.05045	46.9
108.02150	0.7
108.05360	1.5
109.02979	1.3
113.02463	3.2
119.03499	0.7
121.02974	21.8
122.03761	27.3
122.04652	1.3
123.04066	1.0
124.01658	2.9
125.02408	1.0
129.01932	0.6
134.03731	0.6
135.04562	1.2
136.01732	1.0
137.02480	5.1
140.10608	0.5
150.03212	2.8
151.04027	2.3
154.02740	5.2
161.04614	1.2
162.82957	0.6
163.03957	0.6
167.03499	1.3
167.13072	0.6
177.01907	0.7
182.02232	3.2
195.56499	0.6
209.08327	0.6
211.07715	0.7
212.03076	0.5
224.90427	0.6
229.08713	65.0
230.09012	4.1
255.06641	1.7
273.07709	48.9
273.20703	1.0
274.08060	4.8
297.07510	0.7
315.08853	0.9
341.06570	1.1
343.91464	0.5
375.20093	2.6
434.23776	0.7
435.13010	100.0
435.25293	5.2
436.13312	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	435.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.6
59.01388	7.5
60.01730	0.3
61.98829	0.4
65.00340	0.9
68.99797	0.3
69.03467	0.3
69.41045	0.6
69.41453	1.6
71.01376	0.5
72.11693	0.3
72.99319	0.3
73.02943	0.5
78.80809	0.3
81.03465	12.4
82.03780	0.3
83.01387	5.2
83.26636	0.2
85.02950	0.3
86.15502	0.3
89.02444	0.3
93.03474	8.0
93.52248	0.3
95.01396	0.6
95.05039	0.7
98.20653	0.5
99.04537	0.4
107.01424	1.7
113.02480	0.4
119.05040	10.4
120.05406	0.4
121.02947	0.4
123.04541	33.9
124.04883	1.3
125.02460	16.5
126.02793	0.4
135.04527	1.1
137.02437	0.4
145.06573	0.3
147.04543	0.3
149.02452	2.6
151.00386	3.2
151.04045	0.3
163.04027	0.5
165.05542	0.5
167.03513	85.2
168.03841	4.4
179.03519	9.3
180.03940	0.4
187.07664	0.6
189.05609	2.0
191.03539	0.9
211.07738	0.4
213.05614	0.3
229.08743	0.9
255.06694	0.9
258.59515	0.3
273.07709	100.0
274.08051	9.8
297.07751	0.7
375.20248	0.4
435.12836	0.9
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
59.01387	67.2
60.01721	4.1
61.01802	0.9
61.98838	100.0
69.25267	5.1
71.01395	3.1
73.02962	1.0
85.02980	2.5
88.42638	0.6
89.02462	1.7
101.02491	2.1
101.26396	0.6
113.02483	1.0
119.03540	0.6
119.04963	1.0
121.58631	0.6
161.04616	0.6
181.73386	0.7
272.06442	1.4
303.21893	0.8
374.22028	0.8
375.20517	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1296
Annotation	Hydrangea glucoside B
Peak:m/z	Relative Intensity
57.03453	2.9
59.01390	11.2
61.98845	5.6
62.69609	0.9
65.00336	1.1
66.54244	0.9
67.01893	1.7
71.01392	3.4
71.54620	1.2
75.00888	1.9
77.93287	0.8
81.03468	29.5
82.03766	1.1
83.01397	2.6
85.02950	4.5
85.04095	2.2
87.00892	1.7
89.02467	1.5
93.03462	5.6
95.01405	1.6
96.96028	1.6
101.02462	4.8
106.04259	4.4
107.01417	1.3
108.02150	1.3
109.02963	3.3
113.02485	1.5
117.03459	2.2
119.05034	6.9
120.86391	0.8
121.03022	0.9
122.03778	1.6
123.04539	100.0
124.01716	1.2
124.04872	4.0
125.02478	13.7
125.03338	1.7
128.03568	7.3
128.07233	2.1
132.99281	0.8
135.04530	1.5
137.02495	1.4
138.03189	1.0
145.02962	24.5
149.02473	4.8
151.00336	4.5
153.98117	0.9
154.05109	1.2
157.06236	2.7
162.51006	0.9
165.05672	1.1
165.30905	1.0
167.03436	1.1
168.00667	1.9
172.40056	0.9
185.06065	1.3
187.07689	1.2
227.07066	1.3
229.08713	69.5
230.09106	5.0
230.11685	6.4
234.95604	1.1
255.06641	19.0
256.06970	1.9
273.07718	43.8
274.08011	2.6
274.10855	20.3
274.13528	0.5
286.10782	1.0
292.68030	1.0
320.09253	8.9
341.05307	1.6
435.13062	72.9
436.08539	1.7
436.12967	7.8
451.73969	1.0
456.77179	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.9
60.01730	0.2
61.98838	100.0
62.98516	0.2
70.02150	0.2
70.67424	0.3
70.67744	0.2
71.01395	0.2
73.67074	0.1
81.03453	0.4
84.70409	0.2
86.40157	0.2
93.09586	0.2
102.72315	0.2
125.02458	0.4
139.04890	0.1
165.09219	1.0
166.09622	0.2
167.03482	0.2
206.43225	0.2
209.08215	5.7
210.08705	0.5
223.59564	0.2
229.57463	0.2
273.07562	0.4
367.26324	0.2
371.13565	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53026	0.6
54.89035	0.6
57.03441	0.7
59.01389	10.4
61.98839	100.0
71.01392	5.1
71.55579	0.7
73.02966	2.2
75.00909	1.0
81.03477	1.4
81.58547	0.6
83.01421	0.9
85.02963	3.0
89.02457	1.9
95.01475	0.7
95.57619	0.6
99.00899	1.1
99.08205	0.7
100.18426	0.6
101.02436	3.5
103.56180	0.7
113.02496	1.9
116.01575	0.6
125.02473	2.0
125.06100	1.3
135.04570	0.8
147.02960	0.6
161.02443	0.6
161.04610	1.6
165.09219	11.1
166.09491	0.7
175.67944	0.6
177.28043	0.6
179.03638	0.9
205.08704	0.9
209.08211	39.7
210.08661	2.2
223.09813	1.2
233.08215	13.2
234.08586	1.2
237.11348	0.9
251.09254	3.5
263.09314	0.9
303.18121	2.8
311.11319	0.7
371.13498	24.7
372.14063	2.0
409.50613	0.6
433.27817	0.8
435.22311	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	434.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
57.03439	5.3
58.00605	2.3
58.59325	1.2
59.01389	43.1
67.01891	1.4
68.99827	1.8
69.03452	2.5
71.01391	33.1
71.45248	2.0
72.99319	8.5
73.02968	1.4
75.00887	22.2
81.03457	1.4
83.01370	2.9
84.02147	1.3
84.04554	2.8
85.02458	2.5
85.02960	33.8
87.00900	10.7
88.11617	1.4
89.02467	9.4
91.04006	1.4
93.03460	2.1
94.02969	1.5
95.01403	7.3
96.96021	2.0
97.02948	1.5
99.00896	13.1
103.00384	1.9
109.02963	1.5
110.02482	3.4
111.00913	2.5
112.04063	35.9
113.02468	34.0
115.00352	2.3
117.01969	5.3
122.06134	3.1
124.01651	4.3
124.04061	32.4
125.02508	7.6
126.02797	1.9
128.03539	3.5
129.02034	3.2
140.07220	13.7
149.99603	4.3
151.00073	4.0
157.06155	1.9
166.05112	38.6
168.00670	15.7
169.00986	10.3
175.02423	3.7
184.06169	48.2
185.06526	1.6
191.01982	1.6
209.02965	1.7
225.26523	1.3
231.05087	5.3
249.06177	72.1
250.06505	4.0
258.09656	1.9
267.07239	48.9
268.07538	2.5
320.09076	3.9
359.63846	1.2
374.11481	1.8
416.12128	2.4
434.13483	100.0
435.13629	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	433.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
59.01387	100.0
59.99060	0.7
60.01730	1.3
61.37817	0.7
61.98835	3.7
69.16904	0.6
69.56570	4.4
71.01394	6.2
73.02961	1.7
83.01422	0.8
85.02965	2.6
89.02473	2.9
101.02477	5.1
113.02470	2.6
119.03553	1.3
159.02943	1.0
161.04636	3.3
179.05644	1.2
246.78999	0.7
293.39700	0.7
311.05777	1.0
313.06189	2.0
373.22351	5.5
433.10876	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.8
58.00611	0.5
59.01387	100.0
60.01702	0.5
60.52644	0.4
61.98837	2.0
64.19837	0.5
64.92816	0.4
69.47112	3.9
70.89270	0.4
71.01389	6.3
72.99342	0.7
73.02975	1.7
73.44465	0.5
75.68554	0.5
83.01386	1.0
85.02962	3.8
87.04526	25.3
89.02467	3.5
98.19931	1.0
99.00924	0.8
101.02468	4.6
102.70341	0.4
103.02995	0.4
110.75464	0.4
111.08264	0.5
113.02474	2.3
113.47397	0.5
114.82221	0.6
119.03526	1.3
128.67674	0.5
129.02007	0.5
131.03552	0.6
143.03557	0.6
154.25673	0.4
161.04582	2.0
179.05647	0.9
211.13405	0.5
240.66859	0.5
250.15926	0.4
271.15677	0.5
293.15836	0.5
303.14584	1.3
313.06296	0.6
373.22488	2.5
433.10513	0.8
433.28973	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	433.2364
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
50.22346	0.3
55.71725	0.3
62.96399	0.4
78.95912	71.8
96.96972	6.1
99.30749	0.3
103.12689	0.3
144.28773	0.3
150.98021	1.8
152.99599	100.0
153.99989	2.0
163.12965	0.3
171.00665	2.7
240.52968	0.3
279.23318	1.5
309.87814	0.3
347.29675	0.3
359.78900	0.3
433.23630	10.7
434.24164	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.9
57.03461	0.9
58.00603	0.7
59.01387	100.0
60.01733	1.3
60.88140	0.4
67.26138	0.4
69.19675	4.3
69.20067	0.9
71.01397	9.8
71.90022	0.5
73.02950	5.7
75.00877	0.5
83.01408	3.4
85.02969	7.5
87.00899	1.0
89.02444	2.6
95.01409	1.1
97.02952	0.6
98.20670	1.1
99.00906	1.9
101.02456	15.6
102.02826	0.6
113.02465	4.1
116.00681	0.5
123.04533	0.6
125.02409	0.5
129.02002	0.6
143.03532	0.6
151.00397	0.6
159.02940	0.7
161.04616	4.7
191.02003	0.5
198.53302	0.5
220.00002	0.5
227.16545	1.1
241.04764	0.6
249.06042	0.5
268.03815	5.7
269.04160	7.1
270.04440	11.3
271.05035	3.3
271.19070	1.2
313.06424	1.6
373.22504	1.9
391.23401	15.7
392.23584	1.6
433.10425	16.6
433.16183	0.7
433.24225	0.7
434.10706	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48165	0.3
55.74406	0.3
55.98222	0.3
56.06415	0.3
59.01389	100.0
60.01725	1.2
69.53419	2.0
70.65946	0.3
71.01391	2.9
71.68204	0.3
73.02957	0.4
78.90414	0.3
85.02969	0.8
87.95129	0.3
89.02459	4.1
92.30323	0.3
98.19913	0.6
101.02471	2.1
113.02470	1.4
119.03512	1.9
119.05164	0.3
132.12302	0.3
143.03537	0.4
143.05048	0.5
161.04628	0.9
167.03589	0.4
179.05666	0.7
185.06264	0.4
227.07185	3.0
253.05112	0.6
271.06137	2.4
272.06564	0.3
313.06442	0.8
373.22638	0.6
433.11487	0.9
433.24554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.0
59.01386	100.0
60.01730	0.8
61.98836	0.9
69.38340	3.5
71.01394	1.6
73.02979	0.5
81.03521	0.5
83.01426	0.6
85.02991	1.2
89.02463	0.5
97.06630	0.6
101.02471	1.1
113.02476	1.1
125.02460	5.4
135.00903	0.4
136.33551	0.4
165.01971	0.6
165.57347	0.4
167.03522	2.9
193.12474	0.4
197.11891	0.6
265.10895	1.9
289.10742	0.6
326.20813	0.5
331.17676	0.7
373.22391	1.2
387.28006	0.4
415.14142	0.8
433.10336	0.8
433.15463	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.9
57.03458	3.2
58.00594	5.5
59.01386	86.2
69.03469	8.2
71.01388	94.3
72.99310	9.3
73.02950	13.2
75.00880	7.2
76.05331	1.6
78.95899	3.0
81.03458	2.4
83.01398	5.9
85.02965	23.1
87.00886	4.2
89.02452	100.0
90.02814	2.5
95.01387	3.3
96.96021	4.3
96.96967	8.4
97.02971	15.3
99.00888	20.0
99.04494	1.6
99.88762	1.6
101.02457	21.6
107.01420	2.5
108.02218	1.6
111.00911	3.0
112.04063	4.9
113.02460	16.7
115.04013	8.1
117.01922	1.9
119.03490	2.3
123.00870	12.9
124.01678	46.6
124.04048	4.5
125.02465	69.1
126.02785	1.8
131.03523	13.3
137.02461	3.6
138.03203	1.8
139.03065	2.1
139.04050	21.3
143.03531	4.7
149.04584	16.4
149.99603	16.0
151.00378	2.3
161.04552	4.3
166.05103	4.6
168.00645	38.1
184.06088	7.7
191.01952	1.8
191.05623	11.5
215.05710	2.7
233.04419	2.9
233.06683	38.3
234.07028	3.0
235.57782	1.7
249.06120	10.9
267.07294	11.9
268.07718	2.0
293.08820	39.2
294.09061	3.0
352.47083	1.9
433.09485	35.5
434.13287	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	433.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39239	0.5
59.01387	100.0
60.01719	1.7
71.01391	2.1
85.02985	1.8
89.02480	1.2
94.67032	0.6
98.20718	1.1
101.02486	1.8
109.02960	0.6
113.02468	0.9
117.86047	0.5
125.02509	1.4
127.37974	0.6
161.04620	0.7
173.05721	0.7
181.05106	3.7
196.07408	4.4
211.09770	6.9
211.11394	0.6
212.10112	0.6
217.81239	0.6
243.06717	0.9
271.06131	1.2
307.03424	0.6
314.06931	0.6
326.12454	0.6
336.08749	0.9
379.63358	0.5
433.11877	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01734	1.1
70.31397	1.7
71.01389	1.6
81.34559	0.5
81.44384	0.4
85.02979	0.8
144.49875	0.5
161.04630	0.6
181.05133	3.7
196.07437	3.7
206.02789	0.5
211.09808	6.8
221.15157	0.5
233.28630	0.5
239.03670	0.7
240.04356	1.1
241.05005	0.5
293.68912	0.4
380.01868	0.4
408.73282	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59776	0.6
55.01934	1.6
57.03519	2.2
58.00658	2.1
59.01450	64.3
60.01755	0.9
61.27507	0.6
65.00398	3.6
68.99880	1.0
69.03516	1.2
69.31351	4.0
69.31758	1.9
71.01028	2.1
71.01466	30.8
71.05100	2.3
72.01825	0.7
72.99025	0.9
72.99392	3.0
73.02978	3.2
75.00954	1.0
78.56237	0.6
79.01987	1.3
79.95834	0.8
81.03556	2.0
83.01397	5.5
83.05080	0.7
85.02962	10.7
85.04159	2.6
87.00973	2.1
87.04590	1.3
87.05737	0.6
89.01950	1.6
89.02457	29.0
93.03482	5.7
95.01391	3.7
95.05131	0.6
96.96089	0.6
97.02971	4.2
97.06653	1.1
99.00938	1.3
99.04596	1.0
101.02457	17.0
105.03568	2.0
107.01398	4.7
109.03024	1.5
111.04602	1.4
113.02461	12.3
115.04032	14.2
117.03534	1.2
119.03562	13.9
119.05035	36.6
120.05453	1.7
121.02966	5.4
123.00986	2.0
123.04594	1.3
125.02470	14.7
126.02965	0.7
128.03531	3.3
131.03601	1.0
133.03027	1.3
135.04657	1.4
137.02473	3.6
137.09804	2.2
137.86852	0.8
143.03642	2.0
143.05055	3.5
145.02969	3.9
147.04559	0.7
149.02467	5.1
149.04695	0.8
151.00383	10.9
151.04131	2.4
155.03592	1.6
161.02611	0.8
161.04631	2.8
161.06020	1.3
163.00360	6.0
163.04089	1.7
164.01192	1.5
165.01955	10.5
167.03539	3.4
171.07886	2.8
177.02026	2.8
179.05714	2.7
185.06105	1.9
187.03955	3.7
190.99995	1.5
191.01993	1.1
191.03488	1.5
191.14551	1.3
193.01434	24.9
194.01707	0.9
199.07620	1.3
205.01457	1.2
207.02960	1.6
219.03104	2.3
223.02472	3.4
227.07101	1.6
229.05086	0.9
235.13531	1.4
241.08765	1.2
253.14523	3.7
261.13220	0.8
267.07404	1.1
269.08386	1.7
271.06110	10.5
271.15646	2.0
283.06143	1.6
301.12677	1.1
313.07208	100.0
314.07516	10.4
325.07193	1.7
334.10751	2.9
335.11130	6.2
336.10904	1.4
343.08255	25.8
344.08636	3.5
344.12378	0.9
355.08215	1.3
357.13135	0.8
359.15100	1.9
385.09567	1.1
387.20523	1.0
415.10419	2.0
433.11591	20.6
433.20667	67.6
434.11597	1.9
434.20975	8.9
435.15421	0.7
448.04184	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69506	0.4
59.01389	34.6
60.01732	0.7
60.31282	0.4
61.98850	0.5
63.02402	4.2
65.00334	5.4
71.01387	5.7
73.02978	0.9
80.02695	0.5
83.01393	5.9
85.02974	1.7
89.02451	4.2
89.02852	0.4
93.03477	7.8
98.20601	1.1
101.02458	2.5
107.01409	14.3
108.02235	2.4
113.02496	2.1
117.03477	0.6
119.03559	1.7
119.05046	29.3
120.05391	1.4
121.02982	0.7
125.02469	0.8
135.04556	0.5
136.01704	2.1
137.02449	0.5
149.02475	0.4
151.00391	48.1
152.00771	2.0
157.08678	0.5
161.04573	1.1
164.01170	3.5
164.57991	0.4
165.01923	1.9
169.01476	0.9
174.28516	0.4
177.01959	8.0
179.05606	1.0
185.05975	0.5
196.00206	1.1
211.04106	0.6
227.07114	0.8
227.88435	0.4
229.05074	0.7
254.30814	0.5
257.13919	0.8
268.03903	0.5
271.06165	100.0
272.06494	8.4
275.15051	0.5
313.06952	1.0
326.82617	0.7
433.11380	17.4
433.24448	1.9
434.11884	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	433.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19846	0.3
57.03444	0.4
59.01389	12.5
61.09173	0.3
61.98837	0.8
63.02407	2.2
65.00329	5.6
71.01382	2.3
71.31931	0.4
73.02956	0.4
83.01393	4.2
85.02966	1.1
89.02466	1.3
93.03470	8.4
93.04031	0.5
94.03830	0.4
94.20896	0.3
101.02464	1.3
107.01404	13.0
107.18629	0.3
108.02219	0.4
113.02457	0.6
113.81448	0.3
117.03535	0.4
119.05041	39.6
120.05401	2.3
121.02970	0.5
121.06711	0.4
123.04556	0.4
125.02431	1.2
131.01445	0.5
135.04539	0.4
136.01714	0.6
143.05072	0.4
145.02960	0.6
149.02461	0.3
151.00386	44.4
152.00691	1.8
161.02551	0.4
161.04576	0.4
162.45065	0.3
164.01151	0.8
165.01956	2.5
165.05594	0.7
169.01436	0.8
175.00383	1.3
177.01942	4.9
185.06117	1.0
187.04030	0.6
193.01427	0.8
199.51427	0.3
211.04076	0.4
227.07135	0.9
241.04727	0.3
268.03763	0.7
269.04276	0.8
270.04498	1.0
271.06140	100.0
272.06482	9.9
295.06165	1.2
313.07101	2.8
433.10727	2.7
433.24283	0.4
441.09549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.8
60.49138	0.7
60.81870	0.6
61.48515	0.8
69.03461	0.8
69.19058	3.9
69.19481	3.0
71.01388	1.5
72.44125	0.7
72.99319	4.4
75.73447	0.6
85.02944	1.5
89.02473	0.8
95.01401	1.0
99.08179	1.2
107.01461	1.0
107.08236	0.7
115.07668	10.7
123.00909	7.3
124.01686	25.7
125.02481	21.6
128.03580	1.2
129.05606	5.8
143.07153	3.6
149.99612	35.3
151.00195	1.5
151.04002	0.8
153.85469	0.7
157.06261	0.7
168.00667	100.0
169.01193	5.9
205.07205	21.3
206.07544	0.8
227.05411	0.9
301.05615	2.4
320.09296	2.2
331.63898	0.8
347.00336	0.7
369.51956	0.8
415.08865	1.6
433.09891	88.6
434.10159	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	433.1143
Annotation	Hemiphloin
Peak:m/z	Relative Intensity
52.01974	0.4
53.12161	0.5
55.01854	0.6
57.03435	0.8
59.01386	35.2
60.01708	0.8
65.00327	4.5
67.01859	0.7
69.03422	1.3
69.34445	3.9
71.01396	10.7
72.99303	0.6
73.02925	1.3
75.00860	0.6
79.01888	1.4
81.03477	3.1
82.02928	0.8
83.01393	5.1
85.02955	4.4
85.04078	3.3
87.00861	1.1
87.05639	0.9
88.98790	0.5
89.01955	0.8
89.02459	10.4
93.03472	6.0
95.01400	2.2
97.02985	3.7
97.44881	0.5
99.00868	1.0
99.04462	0.5
101.01910	0.6
101.02451	6.3
102.05592	1.4
103.12168	0.6
105.03442	1.9
107.01393	5.2
109.02924	1.6
111.04500	0.6
113.02492	4.5
115.03973	0.7
117.03438	0.7
117.91668	0.5
119.03473	3.6
119.05042	37.3
120.05360	1.4
121.02969	5.6
123.00850	1.7
123.04491	1.1
125.01524	0.8
125.02459	14.9
126.02811	0.7
127.05155	0.6
127.27650	0.5
128.03561	6.2
133.06917	1.1
135.00871	0.8
135.04533	1.1
136.01613	1.4
137.02460	3.4
137.09660	0.5
139.03961	0.8
143.03336	0.5
143.05045	3.2
145.02953	3.4
149.02475	5.8
151.00391	10.4
151.04062	0.7
153.06726	0.6
155.03474	0.8
157.06604	0.7
161.02513	0.5
161.04526	1.5
161.06050	1.7
163.00398	5.6
163.04002	1.2
164.01146	0.9
165.01949	9.3
167.03516	3.6
171.07777	5.7
172.08090	0.6
176.02406	0.5
177.01967	2.2
178.06197	0.7
179.03462	1.7
179.05685	1.1
183.10384	0.9
185.06071	1.2
187.04001	3.3
190.30602	0.4
191.01956	0.5
191.03511	1.4
193.01443	25.1
194.01816	1.5
196.07246	0.9
198.06682	0.7
199.07576	1.0
205.01408	1.8
207.02992	2.1
219.02977	2.0
223.02499	3.6
227.07115	1.9
229.05032	1.2
231.03075	0.6
239.06950	0.8
243.06677	0.5
245.08224	0.6
245.71806	0.5
249.06395	0.4
251.07024	0.5
255.22870	0.5
269.08273	2.0
271.06177	8.3
272.06552	0.8
282.11069	0.9
283.06128	2.3
284.06561	0.6
300.12057	1.9
311.05576	0.5
313.07208	100.0
314.07532	10.8
325.07239	2.2
334.10828	1.3
335.10974	2.6
343.08255	25.5
344.08493	2.9
355.08185	1.4
373.09192	0.7
391.23392	0.9
415.10507	1.6
433.11435	17.2
433.20892	1.7
434.11911	2.4
434.19745	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	433.093
Annotation	Sinaticin
Peak:m/z	Relative Intensity
59.01383	15.4
61.98840	2.5
65.00343	1.6
66.33479	1.0
71.55009	2.0
77.89980	1.1
83.01403	1.7
85.02951	2.0
107.01375	1.6
131.05055	1.0
133.02966	7.0
149.02492	2.0
151.00380	7.1
171.04587	1.1
175.04054	1.9
183.04501	3.6
192.95901	1.1
194.70683	1.0
197.11929	3.3
199.04057	2.2
211.03967	1.7
227.03571	2.6
242.61343	1.0
255.03024	76.7
256.03735	32.4
257.04178	2.7
271.19196	3.0
271.22668	2.4
273.51385	1.0
283.02524	100.0
284.03265	71.2
284.06519	2.4
285.04031	48.7
286.04468	4.2
325.16748	1.3
403.08487	1.2
415.08450	4.7
433.09515	6.8
433.23434	1.2
433.28302	8.2
434.09668	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32151	0.4
54.17427	0.4
57.54481	0.4
59.01107	0.5
59.01381	5.2
63.24338	0.4
66.86610	0.3
70.66409	1.2
77.03976	0.5
78.95911	7.8
84.22517	0.4
93.03459	0.6
96.96975	0.7
117.03478	18.4
118.03780	0.6
119.05038	26.0
120.05380	1.1
121.02977	2.2
145.02966	100.0
146.03314	4.4
152.99599	14.3
163.04024	19.5
164.04312	1.1
171.00681	0.5
194.83987	0.5
213.29247	0.4
267.19699	1.5
268.03787	0.6
269.04434	0.6
281.04749	0.5
283.06174	6.2
284.06592	0.6
285.20737	7.6
286.20990	0.9
311.05634	8.6
312.05905	0.7
323.05481	0.8
341.06686	1.4
363.10547	0.4
371.20969	0.5
431.09897	5.9
431.24417	27.2
432.24655	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	432.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89326	0.7
56.95878	0.7
57.03444	2.8
58.59800	0.6
59.01384	16.6
62.57777	0.6
68.99804	1.2
69.03435	0.7
69.28111	5.0
71.01389	18.4
71.07556	0.7
72.99317	3.7
73.02967	1.4
75.00883	11.6
83.01371	0.8
85.02962	18.7
87.00886	6.1
89.02447	5.7
91.04037	0.7
93.03476	1.2
95.01389	4.0
99.00890	6.2
100.93329	0.6
101.02471	1.2
103.00377	1.4
110.02498	0.8
111.00922	0.9
113.02468	22.2
114.02794	1.0
115.00408	0.8
117.01946	1.9
119.74565	0.6
123.03280	11.1
125.02485	1.7
128.03604	0.8
129.01929	1.2
138.05634	41.5
139.05984	1.2
154.25134	0.6
164.03557	5.1
168.00732	1.0
175.02489	1.3
207.05206	1.1
230.75504	0.9
231.05176	0.7
249.06174	20.8
250.06540	1.1
267.07239	100.0
268.07541	5.6
273.57849	0.7
320.09128	1.1
361.67990	0.7
365.89258	0.7
389.86423	0.7
409.22406	0.8
432.11465	10.9
433.11517	0.9
448.19119	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	0.7
57.03456	0.8
59.01385	100.0
60.01719	0.6
62.54362	0.4
66.99535	0.4
70.83045	1.3
71.01389	7.6
71.05025	0.5
73.02961	2.4
75.00906	0.6
77.03989	1.3
78.95933	0.6
79.01894	0.9
81.03481	0.5
82.42188	0.4
83.01405	1.8
85.02962	3.9
89.02458	3.9
93.03474	1.6
95.01413	0.9
97.02973	0.6
99.00906	0.9
101.02446	5.8
105.03500	1.1
109.02953	0.5
113.02454	4.3
117.03471	6.3
119.03519	1.7
119.05038	1.4
121.02989	1.7
125.02481	1.5
135.04527	2.4
137.02478	1.0
143.03513	1.1
147.04594	0.7
149.02449	1.8
155.10841	0.6
157.34865	0.4
159.04539	1.3
161.02501	2.8
161.04552	4.4
163.00305	0.5
163.04024	2.2
165.01947	1.0
167.03490	0.7
175.04027	0.5
179.03526	0.9
179.05614	1.3
185.23859	0.5
191.03568	1.2
195.13838	0.4
196.05280	0.6
197.06108	0.7
203.03743	0.6
211.07605	0.6
229.01488	0.6
239.07182	1.3
247.09871	0.5
268.03769	3.9
269.04507	2.1
269.08801	0.6
281.04636	2.9
282.05344	1.5
283.06149	28.6
284.06458	2.8
293.04584	1.0
295.06122	1.9
311.05630	48.1
312.05908	4.4
314.04272	0.6
323.05560	2.1
323.32642	0.5
337.11029	0.6
341.06638	5.6
342.07239	0.9
371.20761	6.2
431.09827	27.2
431.21964	0.8
431.27133	1.0
432.10071	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	431.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93420	0.3
55.01883	0.7
57.03480	0.4
59.01387	100.0
60.01722	1.4
65.81670	0.4
70.01587	1.6
71.01392	5.6
73.02950	2.0
83.01409	0.6
85.02953	3.3
87.00880	0.4
89.02474	1.7
95.01401	0.5
99.00903	0.4
101.02453	3.2
113.02465	2.5
117.03503	1.2
121.02988	0.5
153.09326	0.5
155.10838	0.8
161.04562	3.0
165.12981	0.6
209.11964	0.6
215.97404	0.4
227.16570	2.3
268.03796	8.6
269.04489	3.2
269.14047	4.1
270.04782	0.4
281.04633	0.5
283.06165	4.7
309.74222	0.5
311.05649	6.7
312.06216	0.5
323.05835	0.6
341.06757	1.7
371.20721	0.5
389.21869	2.2
431.09915	10.6
431.22977	2.9
432.10385	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
57.03453	0.5
59.01386	100.0
60.01728	1.0
69.53293	0.9
69.53713	1.4
71.01387	5.2
72.99346	0.4
73.02966	1.2
75.00883	1.4
83.01389	0.8
85.02956	2.8
85.04079	3.1
86.02491	0.3
87.05630	0.5
89.02466	2.4
93.03470	2.0
98.20663	0.5
99.00903	0.8
101.02454	3.7
102.00202	0.6
102.05624	1.4
113.02451	2.3
117.03490	0.6
119.03563	0.7
119.05280	0.4
121.03018	0.9
125.02493	0.4
127.05158	0.8
128.03557	5.9
133.02991	0.6
135.04581	0.9
135.05711	0.3
149.02481	1.4
151.04005	0.4
152.08395	0.5
153.06754	0.6
161.02547	0.4
161.04544	2.3
166.06277	0.5
171.07771	5.2
175.83562	0.3
177.01967	0.5
179.04672	0.7
186.05159	0.3
188.03928	1.4
194.38928	0.4
195.08397	0.4
196.07375	0.7
205.06700	1.0
209.04568	10.0
210.04965	0.8
239.07213	0.4
269.04666	0.6
282.11151	0.4
283.06137	7.7
284.06622	0.9
300.12192	1.5
311.05634	9.4
311.09128	0.7
312.06018	0.9
316.09860	0.7
334.10803	12.3
334.14703	0.7
341.06677	0.6
389.21915	1.6
431.09833	8.1
432.10538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79973	0.5
55.01886	0.9
55.65918	0.5
57.03447	1.1
59.01387	100.0
60.01732	1.2
61.56484	0.6
65.20436	0.5
68.55516	0.5
69.58502	3.1
71.01394	9.5
73.02960	2.9
81.20536	0.5
83.01410	1.8
85.02958	4.4
89.02453	4.3
95.01453	1.2
98.19901	0.8
99.00893	0.7
101.02461	7.9
109.60970	0.5
113.02468	4.6
117.03497	1.0
119.03513	1.4
125.02454	0.6
129.02132	0.5
155.65422	0.5
159.03133	0.6
161.04567	7.4
209.15511	1.2
225.80754	0.5
265.45084	0.6
268.03806	0.9
283.06241	2.4
311.05676	4.0
312.06284	0.5
316.59695	0.6
341.06720	0.6
371.20798	15.2
372.21402	2.0
409.73187	0.6
431.09763	3.2
431.23230	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91761	0.5
55.01887	0.9
57.03424	0.6
58.60973	0.5
59.01389	100.0
60.01730	1.2
64.22154	0.5
69.40636	3.6
71.01394	6.1
73.02969	2.0
83.01389	1.0
85.02966	2.8
89.02477	1.3
95.01367	0.8
98.20596	1.1
99.04537	0.6
101.02451	4.1
102.02843	0.5
102.86623	0.5
103.70147	0.5
113.02485	2.8
117.03490	0.8
119.03536	0.8
121.03022	0.5
125.33507	0.4
155.10802	1.2
161.04614	2.1
165.12889	0.7
183.57191	0.6
209.11940	0.5
227.16585	2.7
250.84412	0.6
268.03787	6.5
269.04562	2.5
269.13971	4.2
276.21069	0.4
281.56418	0.5
283.06152	4.3
284.06219	0.5
311.05713	6.0
312.06174	0.6
341.06744	0.9
354.07336	0.5
389.21805	2.2
431.09918	8.7
431.22946	4.1
432.23126	0.6
440.97534	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73071	0.3
59.01386	100.0
60.01729	1.2
69.40257	2.5
71.01388	2.7
73.02966	0.4
78.51745	0.3
85.02978	0.9
89.02489	1.1
101.02463	1.4
110.49855	0.3
113.02477	0.7
113.44480	0.4
117.03509	1.4
119.03498	0.5
121.02989	0.6
161.02502	0.9
163.04033	0.5
163.49460	0.3
189.32979	0.4
220.61195	0.3
268.04001	0.6
281.04742	0.6
283.06104	5.0
284.06461	0.6
295.06119	0.4
311.05679	10.4
312.06055	0.8
323.05798	0.7
341.06891	1.0
389.21793	2.5
390.22046	0.5
431.09958	4.1
431.22818	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01709	0.9
61.68026	0.6
61.98829	0.8
65.76405	0.5
69.38560	3.6
71.01389	3.9
72.99339	0.5
85.02972	0.9
86.33301	0.4
89.02461	4.4
100.75782	0.6
101.02467	3.0
113.02491	2.1
117.03484	2.4
119.03545	2.2
119.05083	0.5
121.79295	0.5
161.02528	0.8
161.04518	1.0
163.04056	0.7
179.05727	1.1
224.13803	0.5
268.03821	0.5
269.04437	2.4
281.04691	0.8
283.06183	8.3
311.05652	14.6
311.09198	0.9
312.06137	0.8
323.05750	0.9
341.06778	1.7
431.09949	7.3
432.10193	1.0
454.53549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96209	0.3
55.01871	0.6
59.01387	100.0
60.01721	1.1
70.95369	0.7
71.01387	6.0
73.02972	1.7
83.01414	1.3
85.02960	3.8
89.02470	0.9
95.01423	0.7
99.00903	0.5
99.71860	0.4
101.02441	3.6
105.85860	0.4
113.02457	2.8
117.03502	1.0
119.03527	0.3
125.02499	0.5
137.87903	0.4
143.03554	0.8
149.02496	0.4
161.02495	0.7
161.04579	3.6
163.03989	0.7
183.04440	0.4
227.16560	0.9
268.03818	0.4
269.04596	0.6
269.17789	0.4
281.04428	0.4
283.06161	6.0
287.22476	0.4
311.05606	9.6
311.09125	0.5
312.06061	0.8
341.06799	1.4
389.21869	3.1
390.88400	0.4
431.09692	5.0
431.26828	1.2
432.09930	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75143	0.4
57.03458	0.6
59.01387	100.0
60.01722	1.2
61.98847	0.4
71.01390	6.9
73.02973	2.9
77.03960	0.6
83.01423	1.3
85.02959	2.4
89.02457	3.2
93.03497	1.2
95.01402	0.9
99.00912	0.9
101.02461	5.1
113.02458	2.7
117.03460	3.7
119.03568	0.8
121.03004	1.3
130.69331	0.4
135.04526	0.9
136.55290	0.4
143.03596	0.5
149.02475	0.4
159.04538	0.7
161.02519	1.6
161.04547	2.8
163.04063	0.9
165.02101	0.4
179.05605	1.2
196.05511	0.5
211.07765	0.4
227.07277	0.6
227.16608	1.5
261.14206	0.4
268.03802	1.1
269.04739	1.7
281.04642	1.3
282.05219	0.4
283.06152	16.8
284.06592	1.3
293.04532	1.0
295.06372	0.6
311.05643	27.4
312.05988	2.5
323.05771	1.4
341.06702	3.5
371.20871	1.1
389.21860	2.1
431.09897	12.9
431.22681	0.6
432.10486	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97430	0.3
59.01386	1.4
62.66332	0.3
69.89090	1.4
78.95913	73.4
96.96973	5.6
140.06503	0.3
143.51840	0.3
150.98074	2.1
152.99602	100.0
153.99980	1.5
171.00674	2.6
277.21799	0.6
283.06155	1.1
302.84784	0.3
311.05624	1.4
419.93152	0.4
425.30600	0.3
431.09961	0.6
431.22098	8.3
432.22473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85720	0.3
57.20826	0.2
58.03035	0.3
59.01388	1.2
71.01887	0.3
78.95913	56.4
96.96021	0.3
96.96970	5.6
150.97993	1.6
152.99602	100.0
153.99933	2.0
159.35292	0.3
171.00653	4.1
231.54637	0.2
277.21802	0.7
283.06088	0.7
311.05859	1.3
431.09933	1.0
431.22043	5.3
432.22488	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.52113	0.8
60.01731	1.0
62.89435	0.6
69.27589	0.7
70.22292	2.2
71.01386	3.1
73.02958	2.4
83.98512	0.5
85.02975	1.0
95.01417	0.6
97.98466	0.6
101.02472	1.7
117.03497	3.2
121.02982	1.4
125.02463	0.7
135.04578	0.8
135.85733	0.6
143.03555	0.7
154.07716	0.6
156.78828	0.7
161.02538	0.8
167.10803	9.9
191.10814	1.2
194.57373	0.6
268.03900	0.9
269.04614	1.5
269.08432	0.7
281.04675	1.7
283.06158	13.6
284.06445	1.6
293.04678	0.7
311.05627	22.5
311.09146	1.2
312.06113	2.6
323.05701	1.3
341.03204	0.6
341.06638	3.6
431.09814	11.5
432.10419	2.2
448.36285	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	3.0
58.00581	0.7
59.01387	45.9
59.38200	0.7
60.01750	0.6
69.03464	2.9
69.40585	2.1
69.41007	2.2
71.01390	14.7
71.43388	0.6
72.99285	1.0
73.02956	16.0
77.03976	0.8
78.95924	0.8
81.03467	1.0
83.01386	4.4
85.02953	4.7
87.00920	0.7
89.02453	2.9
93.03445	1.0
95.01372	0.8
95.71532	0.6
97.02951	1.5
97.06563	0.9
101.02457	14.6
109.02916	0.7
111.08173	4.3
113.02455	5.9
117.03473	4.8
119.03507	0.8
119.05038	1.0
119.56683	0.6
121.02974	2.6
125.02467	2.2
131.03482	0.6
135.04533	1.3
137.02425	1.3
143.03532	1.1
149.02425	1.7
153.09262	0.7
155.03543	1.1
159.04518	1.0
161.02464	2.3
161.04547	3.1
163.04037	1.5
165.01900	0.8
165.12871	41.4
166.13205	2.7
181.12315	0.8
183.13919	67.7
184.14293	4.2
191.10866	1.1
196.05394	0.7
197.15521	0.8
203.05666	1.6
207.13928	6.1
209.11858	3.3
225.15019	0.8
227.12906	100.0
228.13252	6.8
238.06212	0.6
248.03304	1.0
249.15013	0.6
251.12910	16.7
251.15543	0.9
252.13303	1.6
260.45520	0.6
263.05487	0.8
263.12918	1.7
265.14578	0.7
268.03787	2.0
269.04602	2.2
269.13947	1.0
281.04565	1.4
281.14139	0.9
282.05505	1.4
283.06155	19.6
284.06543	1.8
287.22449	0.8
293.04749	0.9
293.13913	3.3
295.06259	0.7
309.03836	0.7
311.05652	33.2
312.06061	2.4
323.05600	2.4
335.15125	2.0
341.06564	4.2
342.07361	0.8
354.40695	0.6
389.21805	0.8
413.08920	0.8
431.09845	21.3
431.18555	1.0
431.26398	2.0
432.10269	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	431.1563
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
56.11749	1.7
57.03460	2.8
57.16600	1.9
58.00601	2.9
59.01388	84.6
61.98826	7.2
69.03449	2.0
71.01392	69.9
71.11282	1.5
71.55162	2.5
72.99304	3.7
73.02954	18.6
83.01394	2.2
85.02957	13.6
87.00894	2.2
89.02457	100.0
93.03491	3.0
98.21809	1.7
99.00894	25.1
101.02451	41.6
108.02195	1.7
113.02464	17.4
119.03518	6.2
119.05022	10.8
125.02445	8.7
131.03528	26.7
137.02438	3.8
137.06110	4.8
139.41335	1.8
143.03532	1.9
149.02693	2.4
149.04570	59.3
161.04555	1.9
179.05688	3.5
191.05653	14.4
219.08060	4.8
269.04559	4.5
282.05157	1.8
283.05997	3.4
293.08743	1.8
311.05685	6.2
323.05823	1.9
341.06741	2.1
431.10641	3.7
431.15540	26.7
432.15900	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.8
59.01385	7.2
59.12605	0.8
71.01391	4.1
71.05592	1.0
71.45616	2.1
73.02958	1.0
83.01374	1.1
85.02959	10.3
88.98817	2.3
89.02413	1.4
93.03468	69.5
94.03798	2.5
96.96043	1.2
97.04078	1.3
99.00891	2.1
101.02433	1.7
110.93488	1.3
117.31513	1.0
120.09608	0.9
125.02435	1.4
128.03555	0.9
130.26688	1.0
137.02460	100.0
138.02795	3.9
147.03050	1.2
161.04602	1.1
167.04684	1.1
182.24300	0.9
184.97795	1.0
190.13188	0.9
191.02028	3.2
209.03052	3.8
210.05135	1.1
216.18439	1.0
227.48428	0.9
267.07257	2.4
283.14139	1.4
299.07727	2.7
341.14609	3.4
431.11908	20.6
432.12436	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	431.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27288	0.4
59.01389	36.4
60.01763	0.4
60.21838	0.5
68.55276	0.5
69.33553	3.2
69.33955	0.7
70.95450	0.5
71.01390	4.6
72.99328	0.6
73.02967	2.9
83.01387	1.0
85.02973	1.3
85.04072	0.7
87.00843	0.5
89.02460	2.7
93.03470	2.9
95.01392	0.6
99.00881	0.6
101.02472	3.5
105.03440	0.6
108.02199	1.0
110.79220	0.4
113.02480	2.2
119.03519	1.1
121.03065	0.5
123.04556	0.5
125.02442	0.7
125.79143	0.4
125.80714	0.5
128.03529	1.2
137.02460	6.8
147.04385	0.4
149.02460	28.9
150.02835	1.4
153.81209	0.4
161.04495	0.6
171.07816	1.0
174.90848	0.4
177.01921	0.9
180.69658	0.6
181.05090	1.1
188.03749	0.6
190.43285	0.4
194.02266	1.5
208.48416	0.5
209.04575	100.0
210.04955	5.6
215.96175	0.5
311.05661	1.0
334.10724	2.5
334.90991	0.5
431.10254	0.8
431.18985	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1348
Annotation	Agehoustin B
Peak:m/z	Relative Intensity
59.01383	20.9
61.98827	2.3
65.00327	1.6
68.99818	3.7
71.01396	2.1
73.24534	1.4
77.03955	1.9
78.95927	2.2
79.01904	2.0
85.02913	2.0
91.01872	4.9
93.03467	2.2
95.01393	2.2
95.05038	1.4
101.02443	2.7
105.03433	1.5
107.01394	1.5
109.02904	1.7
110.00108	5.4
112.74081	1.3
117.03471	9.2
119.05025	1.4
121.02940	2.9
123.00906	4.7
123.04520	1.4
124.01674	2.0
125.02465	2.4
133.06578	3.6
135.04518	3.2
136.01633	1.9
137.02440	4.6
137.99597	5.2
138.03226	2.7
139.00371	2.0
149.02396	3.6
151.00398	7.2
151.01436	1.4
152.01140	3.7
153.05545	1.3
159.04558	3.4
161.02435	6.6
163.00415	6.8
163.04015	15.1
164.01123	2.3
165.01961	6.0
165.05644	1.6
165.99088	2.1
166.02676	2.1
173.02396	1.5
175.03999	2.2
177.01965	3.0
177.05539	3.9
178.06340	7.3
178.99861	2.9
179.07124	4.1
181.01447	3.2
191.03502	8.4
191.07127	2.5
193.01421	6.3
203.03593	1.6
205.05057	7.1
206.05788	4.8
207.03091	2.5
207.06638	29.6
208.07315	5.1
209.00899	5.7
211.07579	1.6
219.02931	2.1
219.06653	12.3
220.06984	1.5
223.09795	2.4
229.02000	1.4
234.05331	46.4
235.06107	63.8
236.06607	6.5
239.07124	1.6
247.06219	7.0
248.06955	2.4
249.07613	6.8
250.08340	3.9
262.04697	1.4
263.05600	8.9
265.07162	2.4
268.03784	4.2
269.04587	2.8
274.46512	1.3
277.07227	19.1
281.04507	4.6
282.05289	2.3
283.06140	48.6
284.06494	4.3
293.04813	1.7
295.06192	1.5
311.05649	85.0
312.06064	8.2
323.05450	4.7
339.08878	1.9
341.06696	10.6
342.07196	1.4
373.09268	1.8
388.11627	10.7
398.09839	2.0
403.13876	1.6
416.11099	7.4
431.08826	15.2
431.14102	100.0
432.14371	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	431.0988
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
59.01385	11.3
61.98825	0.4
63.02400	1.0
65.00341	1.3
69.37723	0.9
69.38124	1.8
71.01368	0.9
73.02960	0.4
83.01407	0.7
89.02441	1.0
98.19766	0.4
101.02460	0.9
107.01399	2.3
113.02480	0.6
117.03461	2.5
121.02894	0.3
148.01649	0.6
149.02464	2.2
149.99559	0.8
151.00372	3.5
159.04462	0.6
161.02505	0.6
171.04549	1.0
172.05281	0.9
183.04485	0.4
195.04504	0.4
196.05267	1.0
200.04828	0.7
201.05774	0.3
211.03952	1.6
212.04759	1.3
225.05467	0.6
225.11295	1.1
239.03528	3.9
240.04288	4.9
241.04660	0.8
253.05077	0.4
267.03003	1.9
268.03793	100.0
269.04480	31.6
269.10370	1.5
270.04962	2.9
273.21326	0.4
281.04684	0.6
283.06149	5.1
284.06689	0.6
295.06409	0.4
311.05649	8.1
312.05853	0.6
323.05850	0.6
327.05130	0.9
341.06549	1.6
366.18307	0.4
431.09860	81.9
432.10242	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	429.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57409	1.0
55.70998	0.9
55.90062	0.9
59.01385	100.0
60.01712	1.1
63.39846	1.0
71.08533	2.1
76.91869	0.9
91.03996	1.7
96.95998	4.3
100.62966	1.1
105.51567	0.8
120.61722	0.9
136.05066	0.9
138.19728	1.1
141.70573	1.2
180.67427	1.0
187.04077	1.1
195.14055	1.0
201.13467	1.1
277.21567	1.2
295.22803	15.0
296.23187	1.4
402.57178	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0986
Annotation	Vitexin
Peak:m/z	Relative Intensity
51.28749	0.5
59.01384	2.2
74.14299	0.5
74.59188	0.5
77.03983	3.4
79.01920	1.8
83.59016	0.5
85.02914	0.7
88.19804	0.6
93.03484	2.8
105.03470	1.8
107.01405	1.0
117.03482	14.8
118.03795	0.9
119.05051	2.0
121.02972	3.5
123.04552	0.6
125.02468	0.7
135.04555	3.6
137.02600	0.8
138.28514	0.6
147.04549	0.8
149.02483	2.6
149.32039	0.6
159.04518	3.7
161.02490	5.6
163.00391	1.2
163.03976	4.4
165.01857	1.1
189.02138	0.8
191.03535	1.5
193.01559	0.6
196.05266	0.9
197.06142	1.0
203.03545	1.6
211.07587	0.9
213.05746	0.7
215.07159	1.6
224.04756	1.1
237.05676	0.8
239.07176	2.7
243.47174	0.6
253.05045	0.8
268.03799	3.0
269.04550	3.5
270.32849	0.6
281.04504	2.9
282.05386	2.5
283.06158	57.3
284.06482	4.9
293.04523	1.9
295.06155	1.9
311.05655	100.0
312.05957	8.2
314.04135	0.9
323.05511	4.3
341.06689	9.6
352.75458	0.6
353.06775	0.8
389.21906	0.6
401.34067	0.7
431.09863	57.6
432.10184	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	429.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53357	0.5
57.01766	0.5
57.03461	0.7
57.38146	0.5
58.00597	0.8
59.01386	100.0
60.01701	1.3
63.37345	0.5
69.40955	4.2
71.01393	8.8
72.99352	0.5
73.02966	0.9
83.93842	0.5
85.02968	1.8
87.00890	0.6
89.02455	10.9
95.01388	0.7
101.02454	5.4
107.05041	0.8
113.02467	2.9
119.03499	4.9
161.04582	1.0
161.09717	0.8
161.13383	1.1
162.95451	0.6
163.11333	0.6
175.79337	0.5
179.05756	1.7
187.11314	1.7
205.12354	0.7
223.13396	7.6
239.30933	0.6
249.11363	6.2
250.11691	0.7
267.12396	7.6
309.13968	0.5
359.76898	0.6
429.17682	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.2
59.01386	100.0
60.01730	1.2
69.51932	3.6
71.01394	7.0
73.02957	3.1
83.01431	1.0
85.02950	3.4
89.02447	6.2
93.03217	0.7
99.00903	1.3
101.02472	5.8
113.02486	2.8
119.03549	2.4
125.17065	0.7
131.03572	1.3
135.04558	1.0
140.23190	0.8
146.03094	0.7
149.04613	1.2
161.04550	1.4
161.13309	0.7
187.11264	1.0
205.12337	1.2
211.70558	0.8
223.13376	4.2
234.36519	0.8
249.11432	1.1
267.12433	3.5
286.10922	0.9
387.20346	1.5
392.33698	0.8
393.17786	4.2
429.08536	0.8
429.15775	2.9
430.15567	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.2
59.01386	100.0
60.01730	1.2
69.51932	3.6
71.01394	7.0
73.02957	3.1
83.01431	1.0
85.02950	3.4
89.02447	6.2
93.03217	0.7
99.00903	1.3
101.02472	5.8
113.02486	2.8
119.03549	2.4
125.17065	0.7
131.03572	1.3
135.04558	1.0
140.23190	0.8
146.03094	0.7
149.04613	1.2
161.04550	1.4
161.13309	0.7
187.11264	1.0
205.12337	1.2
211.70558	0.8
223.13376	4.2
234.36519	0.8
249.11432	1.1
267.12433	3.5
286.10922	0.9
387.20346	1.5
392.33698	0.8
393.17786	4.2
429.08536	0.8
429.15775	2.9
430.15567	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2133
Annotation	Dehydroradiosumin
Peak:m/z	Relative Intensity
52.27038	0.5
53.75671	0.5
55.01884	2.4
57.03451	2.4
59.01387	100.0
60.01725	1.2
61.97088	0.5
69.03457	0.8
71.01391	26.4
71.54868	0.8
72.99329	0.8
73.02956	9.7
75.00900	0.7
76.99630	0.6
83.01399	4.9
85.02959	16.6
86.00112	0.9
87.00890	1.4
89.02441	3.5
95.01399	1.7
97.02977	0.8
99.00901	3.8
101.02451	23.8
109.02937	1.0
113.02456	10.3
119.03506	1.3
125.02435	0.9
129.02014	0.6
143.03557	1.4
159.02975	2.3
161.04564	11.6
230.98944	0.5
253.29962	0.6
263.09366	0.5
273.46634	0.5
309.03714	0.6
343.21265	22.7
344.21530	2.5
369.19211	0.7
387.20279	0.9
394.40308	0.6
429.11823	0.8
429.21069	21.9
430.21582	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
65.24538	0.8
71.01011	1.4
71.01390	16.0
71.24438	1.1
73.02956	18.9
83.01402	4.6
85.02950	3.4
89.02447	5.8
95.01382	0.9
98.20609	0.8
99.00922	1.0
101.02458	18.6
113.02470	5.9
119.03523	1.3
126.78037	0.8
131.03531	1.3
133.02985	1.7
143.03510	1.8
149.04594	1.3
153.24919	0.8
161.04541	3.1
202.41045	0.7
202.43848	0.8
207.10178	1.0
223.09778	1.5
285.03976	4.5
297.04028	3.6
298.04776	2.3
325.03488	1.8
327.05096	2.4
369.06000	2.5
385.14795	1.1
393.06213	2.2
399.07153	1.1
429.08228	2.3
429.17645	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94453	0.2
52.93156	0.2
54.14258	0.2
54.43993	0.2
59.01376	0.9
71.01375	0.2
99.00916	0.3
99.92590	4.4
100.92688	0.3
100.93376	3.8
115.92091	100.0
116.92098	5.6
116.92883	5.8
132.92368	0.8
165.50400	0.3
172.95480	4.1
173.95700	0.3
186.60710	0.2
255.23372	0.8
311.19360	0.2
355.15833	0.5
381.17383	0.9
382.17746	0.3
411.18616	0.4
429.19513	3.7
430.19650	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.7
59.01386	100.0
60.01716	1.1
69.51734	3.9
69.52138	1.2
71.01389	11.4
73.02960	1.7
83.01395	1.3
85.02972	2.7
89.02456	12.0
95.01395	1.1
95.05006	0.7
99.04586	0.9
101.02454	5.9
113.02481	5.2
119.03526	5.3
120.89256	0.6
121.02970	0.7
121.76003	0.6
136.01701	0.9
137.02477	1.1
138.03268	2.1
139.04091	1.9
143.03505	0.7
151.04065	0.7
161.04582	1.9
161.13405	1.6
165.01991	1.7
179.05710	1.7
205.12347	3.5
222.09019	1.1
223.09787	12.9
223.13406	1.4
224.10249	1.0
249.11397	3.6
267.07419	0.6
267.12506	1.9
333.68625	0.6
339.05261	1.0
385.15070	6.4
387.20126	1.2
429.08170	0.9
429.17841	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	429.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.7
57.03437	1.8
59.01386	100.0
60.01727	1.2
71.01015	1.6
71.01389	25.9
72.99318	1.7
73.02954	7.5
75.00875	1.0
83.01401	6.3
85.02961	14.9
87.00886	2.2
89.02462	3.1
92.08202	0.7
93.03426	1.0
95.01395	2.2
99.00901	3.3
101.02456	21.6
102.02747	1.0
109.02943	1.5
113.02460	11.3
119.03505	1.0
125.02409	1.3
129.01913	1.7
135.04515	0.9
143.03516	1.8
159.02975	1.8
161.02431	1.0
161.04561	11.8
177.55743	0.9
343.21265	21.5
344.21622	2.3
387.20099	0.9
429.12106	1.6
429.20996	21.2
430.21628	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	429.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25935	1.0
57.03459	13.9
59.01385	100.0
69.47911	3.7
69.48347	3.8
71.01387	18.8
72.99322	1.5
73.02956	2.2
73.82506	1.0
79.53694	1.0
81.03468	3.1
83.01383	2.0
85.02956	4.0
87.00882	4.7
89.02453	19.3
97.06580	4.0
98.20634	2.3
98.91023	1.0
99.00889	1.3
99.04514	3.4
99.95097	1.0
101.02457	11.3
107.05042	8.0
111.12930	1.0
113.02455	8.2
119.03518	6.7
119.04986	1.3
120.05836	2.1
135.04507	3.1
142.52550	1.1
161.04549	2.3
161.09692	5.8
161.13374	2.8
179.05623	4.3
181.05055	3.1
187.11324	9.9
188.11688	1.4
189.09210	2.6
196.07425	2.4
205.12340	4.9
207.10269	2.5
211.09813	5.0
223.13411	46.7
224.13774	2.8
249.11261	6.5
267.12393	44.7
267.15250	2.0
268.12671	3.3
303.01749	1.1
309.13293	1.9
328.79990	1.1
364.19769	1.1
429.17682	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.6
59.01387	40.6
62.62421	0.4
64.26089	0.3
65.00308	0.4
65.03970	6.3
67.01903	2.3
69.03455	0.5
69.66007	2.0
71.01397	7.3
71.05056	0.5
72.99326	0.7
73.02955	1.3
75.00877	0.6
81.97471	0.3
83.01398	1.5
83.05021	0.4
85.02965	2.0
87.00887	2.6
89.02458	5.3
91.01910	4.1
95.01386	0.5
97.06574	2.3
98.19920	0.4
99.00872	0.5
101.02458	3.4
107.05043	6.1
109.02966	36.6
110.03301	1.3
113.02479	3.4
119.03533	1.4
120.05856	1.1
135.00906	19.4
135.04539	1.4
136.01266	0.6
140.17064	0.3
145.06375	0.3
149.04509	0.5
152.04805	0.5
153.01956	100.0
153.30278	0.5
154.02272	3.3
155.97530	0.3
157.06604	0.4
161.04539	0.7
161.09721	3.8
161.13390	2.0
161.86488	0.4
163.11305	0.8
169.54974	0.4
179.05632	0.9
187.11316	5.2
188.11719	0.5
189.09273	1.7
200.08813	0.4
203.10805	1.1
205.12405	2.1
207.10281	1.7
222.71463	0.4
223.13419	24.1
224.13727	2.1
231.10188	0.4
249.11305	2.6
250.11775	0.5
267.12399	25.4
268.12799	2.4
268.15497	0.4
279.48706	0.4
309.13730	0.6
369.15500	0.5
406.09369	0.4
429.10449	4.1
429.17685	2.5
430.10754	0.7
430.18091	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
57.03448	1.7
58.00602	0.9
59.01386	100.0
60.01740	1.1
69.03494	0.5
69.72325	0.5
69.91992	2.1
69.92411	1.2
71.01393	14.1
72.03868	0.7
72.99323	1.5
73.02952	4.2
79.00425	0.6
83.01402	2.8
83.05025	0.7
85.02953	4.2
87.00892	3.0
89.02460	6.8
95.01411	1.4
97.06613	1.9
98.20021	0.7
99.00916	1.0
101.02454	8.8
101.19555	0.7
107.05029	5.5
113.02461	6.4
119.03523	2.1
120.05821	0.8
120.73551	0.5
125.02446	0.6
129.44383	0.6
135.04579	1.6
141.05553	0.7
151.11308	0.9
161.04593	3.7
161.09721	5.3
161.13380	2.8
163.11374	2.0
179.05603	1.3
181.12439	1.3
187.11319	7.3
189.09297	2.2
189.12837	0.8
203.10983	0.8
205.12427	2.7
207.10341	1.7
207.13988	2.6
223.13420	30.8
224.13760	1.7
225.14941	3.2
229.12328	0.9
249.11281	3.8
267.12381	22.3
268.12894	1.8
281.93106	0.6
334.14691	0.7
358.84024	0.5
387.20285	1.5
409.76270	0.9
429.17520	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	429.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.5
58.00592	2.1
59.01387	100.0
60.01715	0.7
65.85721	0.7
66.28459	0.9
71.01388	26.1
72.99298	2.1
73.02976	0.8
78.31262	0.8
81.07123	0.8
83.01396	0.8
85.02978	5.9
87.00830	1.0
89.02460	29.0
89.03019	1.4
95.01382	2.1
99.04535	2.6
101.02449	12.6
113.02464	9.7
113.36906	0.8
119.03510	12.8
128.64722	0.7
137.09805	1.3
139.00539	0.9
143.03503	2.6
149.04572	1.1
153.01912	2.3
161.04544	2.8
161.13370	10.7
179.05655	4.6
187.11311	0.9
205.12352	22.0
206.12778	1.7
223.13362	3.0
249.11334	33.3
250.11667	2.5
267.12393	6.7
271.22931	1.0
292.10529	0.9
429.17624	20.7
430.17981	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43406	1.5
57.03450	1.8
58.00595	3.0
59.01387	100.0
66.27890	1.9
69.69299	8.8
71.01388	53.6
72.65826	1.6
72.99313	3.1
73.02948	5.4
82.95438	3.9
83.01398	2.4
85.02962	9.5
87.00900	3.8
89.02462	53.1
95.01389	4.5
98.19948	1.9
99.04531	5.0
101.02467	33.3
112.38663	2.0
113.02467	23.6
119.03526	27.9
124.49435	1.9
127.45297	1.7
131.03493	2.7
136.46548	1.9
143.03513	5.2
149.04541	3.3
161.04541	5.4
161.13393	20.5
179.05679	9.7
187.11317	3.9
205.12367	56.1
206.12630	5.1
249.11365	56.3
250.11598	6.1
267.06839	1.8
429.17438	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	429.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.4
58.00587	3.2
58.14879	1.1
59.01385	100.0
69.04488	1.0
69.34854	8.5
71.01387	35.2
72.99310	3.2
73.02969	1.2
81.07104	2.0
85.02969	5.2
87.00883	1.8
89.02454	43.2
95.01392	2.5
98.19872	1.9
98.82251	1.1
99.04526	4.2
101.02448	18.8
113.02463	17.6
113.46758	1.1
119.03513	18.2
131.03487	2.9
143.03471	2.2
161.04662	2.0
161.13379	14.9
179.05650	5.7
187.11290	2.2
205.12341	32.4
206.12610	2.4
222.08917	1.7
223.09782	2.9
223.13396	1.3
249.11337	31.9
250.11697	3.4
385.14960	3.2
429.17715	7.6
430.17746	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1558
Annotation	Sesartemin
Peak:m/z	Relative Intensity
53.17674	0.7
59.01388	6.5
65.00331	1.6
68.99825	5.3
71.01395	1.0
71.54749	1.2
74.95552	0.7
79.41851	0.6
88.98790	2.0
91.01913	7.9
95.01399	0.8
96.96024	17.5
96.96976	1.2
106.77766	0.6
110.00113	7.4
115.06175	0.8
119.05092	0.7
123.00921	3.7
124.01616	0.9
133.06599	2.0
133.21556	0.7
135.04512	2.5
135.08228	0.9
136.01689	0.8
137.02455	1.3
137.99606	9.6
139.00389	0.7
141.99045	1.0
147.04497	0.8
149.02444	1.9
149.06050	0.9
150.06895	0.8
151.00392	8.3
152.01212	1.1
153.02008	0.9
161.06087	1.0
162.06906	1.0
163.00391	10.2
163.04037	14.4
165.01949	2.1
165.99132	1.6
174.47659	0.8
175.03961	1.1
177.05586	3.6
178.06384	11.3
178.99869	4.8
179.07062	1.6
189.05399	1.0
190.99866	2.9
191.03511	8.4
193.01456	1.7
205.05060	3.7
206.05849	8.8
207.06601	7.5
208.07341	2.1
215.03529	1.1
216.04343	1.2
217.05109	1.3
219.02986	1.7
219.06595	2.4
233.04495	1.8
234.05354	68.4
235.05916	9.0
236.06886	1.6
263.05548	2.0
317.06741	0.8
324.02802	0.7
369.13470	1.3
386.13748	1.8
395.32584	0.9
414.13251	8.5
415.13605	1.0
429.15573	100.0
430.15894	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	429.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.5
58.00612	0.9
59.01388	100.0
60.18460	0.9
60.48726	0.9
69.50454	5.4
69.50862	1.6
71.01391	16.1
72.23656	1.0
72.99336	1.6
73.02953	6.9
83.01381	5.5
85.02958	10.7
85.04095	3.4
87.00894	2.8
89.02451	11.0
89.20242	1.1
94.81015	1.0
95.01416	2.8
97.06586	2.6
101.02463	12.3
107.05038	6.7
113.02467	11.8
119.03526	5.0
119.78381	1.1
120.05869	1.0
128.03590	4.7
129.01958	4.5
129.03838	1.1
131.03549	1.1
135.04538	1.4
143.03485	1.4
149.02495	2.4
157.06244	2.7
161.04572	2.1
161.09732	5.4
161.13358	3.6
163.11304	3.2
164.04773	1.4
178.90982	1.2
179.05640	1.4
187.11246	8.2
189.09239	3.0
191.01903	1.1
203.10886	1.0
205.12306	5.1
207.10306	4.4
223.13412	65.0
224.13757	4.5
229.12399	1.7
245.28662	1.0
249.11357	4.2
265.14499	1.4
267.12390	31.4
267.15311	1.6
268.12637	2.1
299.11307	1.2
309.13348	2.1
429.08414	1.4
429.17285	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	429.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07818	1.6
57.03452	13.2
59.01388	46.7
67.01884	1.5
68.99816	3.4
69.03448	3.2
71.01393	25.4
71.31482	3.6
72.99316	6.8
73.02954	6.3
75.00880	21.4
81.03487	1.5
83.01379	3.0
85.02963	26.6
87.00885	6.9
89.02465	7.4
93.88139	1.6
95.01386	6.1
99.00900	11.6
101.02454	4.5
103.00374	2.4
105.13609	1.4
113.02458	26.7
115.00330	1.6
116.87010	1.7
117.01943	4.5
129.01958	2.7
135.04558	1.7
135.08182	53.6
136.08478	2.9
157.01382	2.1
163.11330	1.5
171.20422	1.4
175.02451	3.5
179.07158	86.1
180.07481	5.2
189.04079	1.6
231.05061	7.6
243.64526	1.6
249.06172	81.6
250.06499	4.1
267.07233	2.2
357.61191	1.8
375.43817	1.4
393.17575	10.0
411.12906	1.9
429.14108	100.0
430.14316	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	429.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	11.1
59.01385	47.1
71.01065	2.2
71.01392	23.4
71.54721	3.4
72.99310	7.7
73.02959	4.4
75.00880	18.0
75.20265	1.7
81.03456	2.8
83.01357	2.8
85.02956	27.1
86.81444	2.2
87.00883	6.9
88.83547	1.6
89.02449	6.2
93.03431	2.2
95.01397	8.2
98.79190	1.8
99.00890	12.5
101.02445	3.8
113.02462	28.8
117.01939	3.8
129.01929	2.6
135.08179	53.6
136.08516	2.3
152.01167	2.6
158.50490	1.7
163.11263	2.7
175.02483	3.3
179.07161	84.7
180.07423	5.3
231.05103	7.1
249.06174	79.9
250.06363	4.9
252.63126	1.9
261.13284	2.2
385.62146	1.9
393.17664	12.7
429.14017	100.0
430.14264	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	429.1194
Annotation	Torosaflavone B
Peak:m/z	Relative Intensity
57.19208	0.4
57.27587	0.4
59.01380	2.6
70.54585	0.4
71.09284	0.6
71.09614	0.7
80.68118	0.4
109.02956	1.5
121.02954	0.7
123.00941	0.4
124.01689	0.7
135.63016	0.4
137.02484	0.5
138.36311	0.4
139.04024	1.1
147.01013	0.5
148.01605	0.5
148.68074	0.4
149.02437	3.6
151.00412	1.0
153.01895	0.6
163.19934	0.4
169.33157	0.4
172.72945	0.4
173.08047	0.4
175.00328	1.9
177.99084	1.3
178.99863	1.5
180.00629	1.8
183.04526	0.5
185.06096	0.5
189.02032	0.9
190.99870	1.5
192.00699	0.4
193.01442	2.0
199.04059	0.8
201.05560	1.7
202.02600	0.5
211.03986	0.9
213.05522	0.5
216.04341	1.0
217.05055	1.1
221.01192	0.7
227.03503	1.8
228.04288	0.8
229.05023	2.6
230.02155	0.6
234.05466	0.4
239.03479	0.6
240.04189	0.7
242.02190	0.9
243.03006	0.7
244.03731	1.3
245.04565	2.5
255.03024	5.7
256.03775	2.1
257.00925	0.6
257.04431	2.4
258.01788	3.8
264.59732	0.4
271.02487	1.3
272.03293	9.8
273.04056	11.2
274.04483	0.9
283.02524	3.1
284.03348	0.9
286.01245	7.6
287.02274	0.5
287.05649	2.9
299.01999	8.3
299.05325	0.5
300.02795	9.7
301.03555	52.2
302.03955	4.7
304.05814	0.8
309.07623	0.5
315.05127	10.2
316.05728	4.4
326.04349	0.6
328.02451	1.5
329.03049	5.4
330.03506	0.8
331.04446	1.8
343.04642	9.8
344.05362	16.6
345.05661	2.0
348.04837	5.2
358.06982	0.8
359.07767	6.6
360.08423	0.5
376.04340	5.1
377.04684	0.6
390.05807	3.4
391.06305	0.7
411.10822	1.1
414.09570	5.2
429.11920	100.0
430.06271	0.7
430.12271	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	429.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07818	1.6
57.03452	13.2
59.01388	46.7
67.01884	1.5
68.99816	3.4
69.03448	3.2
71.01393	25.4
71.31482	3.6
72.99316	6.8
73.02954	6.3
75.00880	21.4
81.03487	1.5
83.01379	3.0
85.02963	26.6
87.00885	6.9
89.02465	7.4
93.88139	1.6
95.01386	6.1
99.00900	11.6
101.02454	4.5
103.00374	2.4
105.13609	1.4
113.02458	26.7
115.00330	1.6
116.87010	1.7
117.01943	4.5
129.01958	2.7
135.04558	1.7
135.08182	53.6
136.08478	2.9
157.01382	2.1
163.11330	1.5
171.20422	1.4
175.02451	3.5
179.07158	86.1
180.07481	5.2
189.04079	1.6
231.05061	7.6
243.64526	1.6
249.06172	81.6
250.06499	4.1
267.07233	2.2
357.61191	1.8
375.43817	1.4
393.17575	10.0
411.12906	1.9
429.14108	100.0
430.14316	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	429.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	11.0
60.99314	1.4
68.99824	6.7
88.98830	9.5
91.01910	5.6
96.96022	29.6
110.00114	4.9
118.79978	1.5
123.00905	4.1
133.06587	1.5
135.04533	5.6
137.02477	2.3
137.99629	8.7
139.00417	1.4
151.00435	7.5
158.14734	1.3
161.02467	2.5
163.00398	12.0
163.03992	15.7
165.01956	1.9
165.99078	1.5
177.05600	3.9
178.06372	10.3
178.99905	4.0
179.07114	3.0
190.99924	2.8
191.03493	5.6
205.05092	2.3
206.05867	8.1
207.06596	5.4
208.07356	2.6
216.04362	2.0
219.03043	2.0
233.04494	1.7
233.10118	1.5
234.05345	61.7
235.05934	8.1
247.36920	1.8
263.05585	2.3
283.74481	1.4
314.68179	1.5
386.13766	2.3
388.84335	1.7
390.20190	1.6
414.13110	7.1
429.02161	6.0
429.15582	100.0
430.15884	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	428.9992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39376	2.2
57.03444	10.1
59.01381	13.3
62.85555	2.1
71.01390	13.4
71.53506	2.7
71.53865	3.7
72.99313	9.0
75.00862	4.1
78.95910	4.0
80.86118	2.5
83.07655	2.0
84.02187	3.8
85.02961	100.0
86.03288	2.6
87.00879	46.8
89.02456	4.2
98.42673	2.1
108.93758	7.4
109.73285	2.2
113.02465	3.1
114.29229	2.1
115.00361	3.2
119.05048	4.0
122.57043	2.2
129.01851	3.2
133.01431	5.0
141.01627	3.9
147.02959	11.0
156.99074	9.4
163.04070	4.0
191.02002	47.5
209.03049	37.3
228.97594	15.0
231.01244	8.0
246.98630	21.0
248.96796	2.6
264.94397	4.9
267.07178	4.9
282.39764	2.2
355.06595	12.6
393.02502	9.3
393.11353	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	429.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27515	0.6
57.03451	2.5
57.67299	0.6
58.00599	0.6
59.01385	16.0
61.98841	2.4
68.99827	0.8
69.03432	0.9
69.44290	3.5
69.44697	1.0
71.01389	21.3
72.99315	2.9
73.02943	1.0
75.00884	11.1
83.01389	0.8
85.02964	21.5
86.00146	0.6
87.00895	7.9
89.02458	8.1
92.05075	1.1
92.82127	0.6
95.01398	4.4
98.19945	1.4
99.00902	7.0
99.32298	0.7
101.02446	2.9
103.00394	2.5
108.11042	0.6
108.28757	0.6
112.01693	0.7
113.02466	30.6
113.22911	0.7
114.02773	0.9
115.00377	1.1
117.01956	1.7
129.01949	2.3
133.02991	7.3
134.03725	2.8
135.04547	23.2
136.03983	1.0
136.04895	1.2
149.04558	0.8
157.01370	1.1
161.02460	27.9
161.83151	0.6
162.02837	1.6
175.02486	1.6
179.03526	9.0
179.07143	1.5
181.05066	0.8
205.08778	1.2
207.04994	0.7
249.06075	5.3
253.07175	2.5
267.07211	100.0
268.07553	5.9
429.10318	33.8
430.10672	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	427.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51606	15.3
59.01392	56.3
61.98852	21.1
70.66920	45.0
71.01374	25.6
89.02473	19.8
96.96010	100.0
101.02486	19.2
176.49179	18.0
259.08499	18.4
265.10907	28.6
409.14197	31.2
427.15649	29.9
427.21082	51.1
439.85492	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11626	1.1
57.33423	1.1
59.01387	100.0
69.32299	7.6
82.76873	1.0
91.04008	3.0
113.56104	1.0
114.99294	1.0
129.80206	0.9
135.00790	1.1
135.88850	1.1
148.05295	1.2
148.81801	0.9
152.38347	1.2
244.73453	1.1
247.90524	1.1
248.03137	1.6
254.30063	1.3
255.06619	1.8
263.38974	1.1
293.21274	15.6
294.21469	1.5
333.03391	1.2
339.16132	7.2
409.20007	2.9
427.21280	9.8
428.21249	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	428.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.0
69.81721	1.9
72.04559	2.8
72.48923	0.4
74.02481	100.0
75.02827	1.2
83.41798	0.4
98.06114	0.9
116.03550	42.8
117.03918	0.4
135.10278	0.4
142.05104	1.3
149.40825	0.4
221.08250	0.5
322.22070	0.4
410.32712	1.5
428.33813	15.5
429.26514	0.6
429.34094	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	427.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76455	0.6
53.98020	0.7
55.01899	0.8
55.39756	0.7
57.03452	3.0
59.01388	100.0
60.01725	0.8
61.98847	0.8
69.03466	2.2
70.32289	0.8
71.01387	15.5
73.02943	7.0
77.35303	0.7
83.01392	2.6
85.02972	5.1
87.00871	2.1
89.02462	3.2
90.65601	0.8
91.14916	0.8
95.01395	1.1
99.00884	2.2
99.24599	0.8
101.02445	10.3
107.05098	1.0
111.00899	0.9
111.08170	0.9
113.02428	5.2
119.03511	1.4
129.01993	1.2
135.04486	0.8
137.09721	1.2
137.58517	0.8
161.04547	1.0
163.11322	10.8
164.11699	1.8
165.09164	1.4
171.08188	0.9
181.12367	23.7
182.12718	1.7
187.11345	3.7
189.12831	3.6
190.10019	5.9
194.21021	0.8
205.12395	6.3
223.13451	1.2
367.17691	1.2
427.19684	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	427.169
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12914	2.7
59.01394	26.1
69.26241	5.5
69.26642	19.8
91.01900	11.8
96.96023	4.6
119.05044	6.0
132.05846	5.5
133.06621	5.7
135.00911	19.8
148.01743	4.1
153.01959	9.9
153.05650	3.8
164.04796	3.6
176.24280	3.1
233.04570	5.2
255.17503	19.9
283.02478	7.6
295.05887	3.6
299.01938	5.8
311.01959	9.0
353.13968	15.6
354.07294	10.9
354.14221	3.5
365.28525	4.8
367.26376	17.1
368.26865	5.4
368.32376	3.3
369.09811	47.9
370.10440	3.9
389.17560	6.8
391.19159	34.6
392.19608	8.7
397.09314	25.5
398.09787	3.9
408.47989	2.8
411.25632	3.7
412.11703	34.0
427.13980	100.0
427.28528	79.5
428.14178	10.2
428.28821	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	427.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86869	10.3
59.01392	69.3
59.01642	12.8
64.50593	9.8
65.37637	10.3
72.13964	9.7
95.26630	11.9
119.05047	100.0
122.21835	9.7
143.29056	10.5
226.15997	12.6
229.00670	17.5
273.84576	13.9
391.19183	69.7
427.14020	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	427.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92393	4.4
58.24849	4.4
59.01386	22.0
69.33813	36.1
73.75894	4.6
119.05041	100.0
128.89998	5.0
143.95813	4.7
271.13412	19.1
275.19830	5.4
289.14655	15.8
337.23605	12.4
381.22537	6.7
391.19220	79.4
392.19516	11.4
424.99591	6.1
427.13846	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	427.1401
Annotation	12a-Hydroxyamorphigenin
Peak:m/z	Relative Intensity
59.01383	1.5
68.99821	0.6
69.19801	1.1
69.20214	2.4
108.02185	0.4
115.05539	0.6
120.02222	0.5
123.00925	0.5
132.05844	0.5
133.06586	1.5
148.01662	2.8
149.02406	0.5
151.00508	0.4
153.05608	2.9
161.02440	0.7
161.06105	0.8
163.00381	1.1
163.04007	3.6
165.05621	0.6
175.03992	0.5
177.05579	2.1
177.99103	0.9
178.06305	0.8
189.05620	2.1
189.99110	0.8
190.99883	0.5
191.03464	0.7
191.07120	1.2
201.05545	0.6
203.03580	0.6
204.04303	0.7
205.05052	3.5
206.05708	0.7
211.04079	0.6
215.03491	0.6
217.05061	1.4
218.05847	0.5
227.03320	0.8
228.04489	0.4
230.02286	0.6
232.03783	3.0
233.04549	4.5
234.05350	2.3
239.03459	0.8
239.07091	0.4
243.02908	0.9
245.04546	1.5
246.05360	0.7
247.06227	1.1
254.09285	0.5
255.02960	1.7
256.03381	0.4
257.00977	0.8
267.03006	1.3
267.06427	0.4
271.02481	1.6
281.08325	0.6
282.08835	0.7
283.02472	8.4
284.02780	0.5
285.00531	0.6
286.01086	0.4
294.09351	0.5
295.02478	1.6
295.06152	2.1
297.04089	0.4
298.01138	0.4
298.08545	0.8
299.01968	4.3
300.02560	1.1
301.03409	0.4
309.07758	1.6
310.08496	1.4
311.02020	11.5
311.05411	0.7
312.02307	0.9
313.06876	0.4
313.10629	0.6
314.04416	0.8
321.07611	0.5
325.07181	0.6
325.10718	0.9
326.04398	0.6
326.07898	3.6
336.06433	0.5
337.07199	1.4
338.07971	1.5
339.01468	0.7
339.05173	0.9
341.06564	0.5
341.10318	0.6
351.08871	1.1
353.06726	0.8
353.10550	0.5
354.03824	0.9
354.07471	10.6
355.07986	1.0
357.06125	1.5
369.09842	41.1
370.10147	5.3
379.08331	0.5
382.06976	4.0
383.07388	0.6
396.08749	0.6
397.09286	28.3
398.09680	3.9
411.10840	1.6
412.11649	30.7
413.12039	4.5
427.13980	100.0
428.14331	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	427.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21413	0.7
55.50990	0.6
59.01379	2.9
61.98835	1.5
63.42867	0.6
64.81850	0.5
65.00326	2.7
66.01094	0.6
68.99876	0.6
70.65956	0.8
70.66261	1.3
78.01124	0.9
81.50534	0.6
83.54035	0.6
89.00340	3.8
91.01904	3.9
92.02251	1.6
93.03481	1.9
96.96021	1.3
106.00600	3.7
118.00588	0.8
119.05038	1.6
121.02981	4.2
132.05820	2.8
133.02930	0.6
133.06177	1.3
134.00128	2.0
135.00900	12.0
136.01228	2.2
137.01361	0.6
139.04008	5.6
147.00877	4.3
148.01682	2.0
148.05249	0.6
149.01288	1.2
149.02461	15.8
149.99597	1.1
150.02925	0.6
153.01929	2.2
153.05592	1.2
154.02347	1.2
155.02423	0.8
159.04521	0.5
161.02469	0.9
161.99590	1.1
163.00356	1.6
163.04002	0.8
164.04791	2.5
165.05093	0.9
171.70929	0.6
175.00380	28.5
176.00757	1.3
177.01823	0.6
183.04530	0.8
192.04283	1.5
192.14326	0.7
201.12825	1.9
202.13210	2.3
211.03992	1.7
221.04578	11.7
222.04907	1.0
227.03539	1.0
238.06291	0.7
239.03653	1.5
245.04562	3.8
248.03282	46.4
249.03697	3.5
255.03038	0.8
261.03958	3.9
262.04599	1.0
263.05576	8.7
264.05930	1.1
267.03082	1.5
269.08652	0.9
276.02783	0.9
279.06699	0.6
283.02609	1.6
289.03516	1.5
289.18161	0.8
290.18491	2.2
291.18771	2.3
295.02560	1.1
297.07669	1.4
307.06165	2.0
309.07617	0.8
311.01843	4.1
323.05597	2.1
324.06339	0.7
325.07217	5.7
337.03525	1.1
337.07040	3.8
338.07782	0.9
341.06650	4.4
351.05023	3.7
352.05771	1.2
353.02957	2.6
353.06741	7.8
354.03738	1.8
354.07468	1.0
367.08060	0.8
368.09033	1.3
369.06171	41.8
370.06479	4.7
381.06335	4.4
382.06641	1.8
383.07938	0.9
384.08423	3.4
396.08673	2.0
397.05597	10.0
397.10138	0.7
398.06262	0.8
399.10983	3.8
412.08032	65.3
413.08408	8.3
426.20044	3.3
427.10376	100.0
427.19308	13.0
428.10745	14.9
428.20178	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1977
Annotation	Broussoflavan A
Peak:m/z	Relative Intensity
66.38530	0.5
70.85347	1.0
70.85685	0.9
71.33805	0.5
78.34476	0.5
93.03480	1.0
111.93152	0.5
119.05043	75.6
120.05367	3.3
130.36520	0.5
130.79242	0.5
133.06639	0.7
138.91640	0.6
143.05133	0.5
145.02986	1.4
157.06604	0.8
159.04483	0.6
160.92610	0.6
171.08208	0.8
173.09724	4.9
185.09766	1.0
187.11290	0.6
217.08720	12.2
218.09077	0.6
225.12970	0.9
229.08778	3.8
231.10277	0.7
235.09869	3.3
247.09767	1.5
287.12924	2.0
293.15421	0.7
295.13351	1.1
303.12347	0.7
305.13940	8.3
306.14365	0.9
323.14926	0.9
337.14423	4.4
338.14612	0.7
341.13922	1.3
349.14468	5.2
367.11856	1.4
407.18872	1.7
425.19696	100.0
426.20123	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	426.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.0
60.19043	0.7
61.32205	0.6
66.06606	0.7
79.01911	0.9
84.93353	0.7
87.04478	0.7
91.01891	1.1
93.03475	1.4
96.96030	6.0
108.02148	1.1
109.06593	2.3
119.05042	62.5
120.05378	29.7
121.02960	10.3
121.05623	1.7
122.03222	4.0
135.00900	1.0
145.10280	1.4
149.02522	1.3
153.01935	0.9
173.09682	3.1
174.10074	2.3
188.11493	0.7
201.12842	1.3
202.13182	1.9
203.10841	1.2
204.07478	1.1
204.11137	1.1
217.08669	3.2
218.09041	2.2
229.08733	1.7
230.09067	3.4
235.09726	2.0
236.10112	2.0
244.10611	0.8
245.15472	1.9
246.15880	4.0
272.17316	1.1
273.15091	0.8
285.14984	1.1
286.15259	1.0
288.13257	1.3
290.18509	0.8
303.16092	3.0
304.16428	7.1
305.13803	4.8
306.14227	10.0
324.15228	1.4
332.15747	1.0
338.14780	3.7
345.78421	0.7
349.14313	1.7
350.14813	10.2
353.39560	0.8
354.06094	0.9
380.19559	2.2
390.17517	0.9
394.16452	4.2
398.19550	1.0
408.19171	5.0
426.20056	100.0
427.20410	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	425.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62114	0.6
50.86908	0.7
51.97535	0.7
52.29265	0.6
58.59535	0.7
65.33330	0.6
67.01908	0.7
69.53046	4.4
91.01906	1.9
93.03474	2.5
93.08495	0.7
105.03480	3.5
107.05064	1.2
108.02177	1.8
109.02959	1.5
109.06624	3.9
111.03841	0.7
117.03488	1.1
119.05041	99.1
120.05378	7.4
121.02969	32.7
122.03719	2.5
123.04555	1.0
123.08161	0.9
125.02457	1.3
134.03716	0.9
135.00903	2.4
135.04518	2.9
137.02420	0.8
145.02962	1.5
146.03372	0.9
146.07426	1.2
149.02463	3.7
150.03072	0.8
151.04028	0.8
153.01935	0.7
157.06499	0.7
158.57579	0.7
161.02444	4.3
164.01154	0.9
165.02003	0.9
166.02725	0.9
170.07420	0.9
173.09714	6.2
174.03221	2.2
175.04001	1.2
176.04802	1.0
178.06416	1.2
185.09729	1.6
201.12891	6.0
203.07207	3.4
203.10799	1.3
205.08745	0.8
207.10213	1.2
211.44069	0.7
217.08755	6.1
229.08711	5.0
231.10378	1.3
235.09772	2.4
243.10091	0.9
245.15486	13.6
246.15916	1.3
253.16052	1.0
255.06578	1.1
257.15408	1.3
264.33978	0.7
267.06714	0.8
271.13458	0.9
271.17017	1.5
273.14972	3.2
279.07123	0.6
281.08127	2.1
285.14954	6.7
287.12967	1.5
289.14767	1.0
289.18076	2.4
299.12576	0.9
303.16010	23.8
304.16342	1.3
305.13934	18.0
306.14316	1.4
323.15015	0.9
331.15451	1.4
337.14343	4.1
349.14438	9.7
350.14682	1.1
363.19748	1.2
379.19131	7.3
380.19330	1.3
389.17722	1.3
393.16068	3.8
407.18701	9.6
408.18930	2.3
425.19724	100.0
426.20074	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	425.1974
Annotation	Broussoflavan A
Peak:m/z	Relative Intensity
59.01382	0.3
60.80656	0.2
67.75999	0.2
70.08083	0.3
70.08419	0.9
85.02956	0.3
91.05503	0.2
92.66476	0.2
93.03472	0.9
95.01393	0.3
99.04532	0.4
105.03455	0.6
106.04234	0.6
108.02203	0.6
109.02949	1.2
110.36114	0.2
119.05038	46.5
120.05364	2.2
121.02968	11.3
122.03823	1.7
123.00881	0.6
130.13559	0.2
133.10271	0.4
135.00926	0.6
135.04562	0.4
136.01666	3.4
145.02963	1.1
149.02425	0.7
161.02470	0.2
161.09744	0.9
162.03241	3.1
165.01952	2.0
170.58810	0.2
175.04044	0.4
185.09740	0.3
187.11288	0.5
194.02208	2.1
205.08615	0.3
207.10199	0.3
207.13937	1.4
239.07083	0.3
240.07890	0.3
243.13815	0.5
261.14963	1.3
267.06625	2.9
268.07422	1.9
285.11447	0.4
287.12903	2.4
301.14572	0.3
305.13971	31.0
306.14313	2.8
319.15558	0.3
323.15039	5.6
324.15302	0.6
363.56271	0.3
391.80948	0.3
405.16745	0.3
407.18707	1.3
425.19724	100.0
426.20062	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	425.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59490	0.4
54.81255	0.3
59.01388	2.1
71.01376	0.7
74.12788	0.4
78.95903	0.7
83.01396	1.8
85.02950	0.6
85.78071	0.5
95.01405	0.4
96.02184	0.5
96.96000	0.4
97.02953	1.7
98.20705	0.8
101.02363	0.3
111.00873	1.2
112.86539	0.4
119.05048	2.9
120.05407	0.6
123.00884	1.5
137.02446	8.5
138.03249	3.6
139.04001	0.9
151.04018	0.6
153.01999	0.4
163.03958	0.4
165.09216	28.6
166.09590	1.9
170.02228	23.3
170.03741	0.7
171.02559	0.9
183.04465	0.6
201.05516	0.6
207.10277	100.0
208.10606	6.8
211.07677	0.4
213.09151	0.5
230.05847	1.9
241.08710	4.8
250.46281	0.4
259.09787	5.6
263.94797	0.4
271.28445	0.3
284.03290	0.5
373.92767	0.9
388.95212	1.5
407.13770	0.6
407.18674	7.2
408.18893	1.0
425.19543	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	425.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98098	0.2
70.08093	0.8
81.03462	0.3
91.01910	0.5
93.03459	0.6
95.01398	0.4
95.05040	0.2
99.04554	0.4
105.03445	0.5
106.04254	0.7
108.02178	0.4
109.02964	1.0
119.05042	45.7
120.05385	1.9
121.02970	5.2
122.03811	1.7
123.00884	0.4
125.09722	0.3
133.02745	0.2
135.00883	0.7
135.04651	0.2
136.01694	3.1
138.03242	0.3
144.76144	0.3
145.02988	1.0
149.02480	0.8
161.02475	0.2
161.09743	1.6
162.03247	2.9
165.01883	0.5
167.03494	0.3
175.03896	0.3
187.07648	0.5
187.11293	0.2
194.02205	1.9
205.12160	0.2
207.13922	2.9
223.07759	0.3
239.07301	0.3
243.13919	0.9
261.15005	3.6
262.15390	0.3
267.06659	2.2
268.07455	1.6
279.16159	0.3
287.12912	1.4
305.13977	29.3
306.14288	3.3
319.15521	0.9
323.15021	2.8
330.08612	0.2
383.18689	0.3
407.18829	0.9
425.19733	100.0
426.20084	16.3
426.26132	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04676	0.3
52.10085	0.3
57.03457	0.4
69.81629	1.6
85.02974	0.4
87.04518	0.9
91.05581	0.4
93.03473	1.3
95.01384	0.4
97.25487	0.3
98.19940	0.3
106.04260	1.4
107.05047	0.9
108.02186	0.8
109.02983	0.9
117.03484	0.8
119.05042	89.4
120.05373	4.0
121.02995	1.7
122.03742	1.3
122.61692	0.3
136.01682	1.4
143.05048	2.0
144.05780	0.7
145.02979	1.9
145.06610	0.6
147.08189	1.1
149.02448	0.9
152.01157	1.3
157.06580	0.6
158.07367	0.4
159.04593	0.5
159.08189	0.9
161.02460	0.8
162.03242	2.1
165.01926	0.6
171.08194	0.7
173.09731	4.0
175.07764	0.4
175.11298	0.7
187.04013	0.8
189.09291	0.7
191.10782	0.5
194.02245	0.9
203.10846	0.5
215.07166	0.6
217.08672	2.0
239.07040	0.4
243.14032	0.6
261.15021	3.4
267.06683	1.2
268.07492	0.9
275.10400	0.3
279.06912	0.5
279.16037	0.5
287.12918	2.2
305.13968	32.4
306.14240	2.4
313.73669	0.4
319.15695	0.5
323.15076	0.7
337.39844	0.3
383.18658	0.5
425.19724	100.0
426.20056	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	425.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
59.01358	0.7
65.00332	0.8
69.18360	5.3
84.97549	0.5
87.04523	4.5
91.01904	26.8
92.02253	1.0
119.05019	4.3
120.05453	0.6
121.02970	1.0
122.56149	0.6
132.05820	21.9
133.06529	2.6
134.06989	0.6
135.00896	45.0
136.01241	1.9
145.06577	1.3
153.01947	15.4
164.03506	0.9
164.04800	12.6
173.09724	0.8
201.12859	25.4
202.13298	2.6
213.12856	5.5
214.13425	0.5
223.07739	0.5
231.14047	2.5
253.15932	1.4
271.17102	3.2
289.18112	26.8
290.18512	3.1
305.13950	1.5
310.27371	0.5
311.96979	0.6
393.09842	2.8
401.65372	0.5
407.18771	1.0
425.19693	100.0
426.20032	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	425.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01898	1.1
69.52280	5.0
74.98509	0.8
83.01353	0.9
90.38443	0.8
93.03502	0.9
105.03480	23.4
105.04197	1.3
106.03754	0.9
107.05035	1.8
117.03492	6.5
119.05045	95.5
120.05377	4.5
121.02980	1.9
123.04528	3.6
125.02475	2.2
132.78954	0.7
135.04523	5.1
138.20975	0.8
149.02457	18.6
150.02797	1.2
151.00334	1.1
154.00848	0.8
161.02487	13.4
162.02835	1.9
163.04001	1.2
167.03508	12.3
179.03543	1.6
187.07906	0.8
187.11279	1.3
188.11626	0.9
207.10234	2.0
227.07072	1.3
237.06859	1.3
239.07239	0.8
250.11867	0.8
257.15698	1.1
269.08170	7.1
271.31039	1.0
281.08228	12.4
282.08670	1.1
287.12894	1.7
305.13934	16.2
306.14352	1.5
323.15094	1.6
340.16513	1.0
372.92081	0.9
425.19690	100.0
426.20074	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	425.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96806	0.4
57.03440	0.7
65.00333	14.9
65.03967	1.4
68.99810	0.6
69.03454	1.0
69.52966	3.2
71.01413	0.5
71.39109	0.4
80.76208	0.4
82.11987	0.4
83.01399	1.6
91.05533	2.0
93.03457	1.2
94.55486	0.4
95.01398	0.8
96.36095	0.4
106.04225	0.5
107.05038	1.5
109.02948	1.3
119.05028	2.8
121.02975	0.9
123.08155	1.2
127.07671	4.3
132.05827	13.4
133.06168	0.7
135.04543	1.9
136.78845	0.4
137.02458	0.9
139.00351	0.8
149.06075	0.6
151.00346	0.7
151.04082	1.0
151.07674	8.9
152.08063	0.5
157.84128	0.5
161.09705	2.3
163.00407	0.7
164.04811	7.1
165.09216	0.9
169.08711	6.4
170.02280	0.5
179.03532	0.7
187.11301	42.1
188.11662	3.2
193.08719	7.6
195.06714	0.9
199.03983	0.6
207.10271	2.4
211.09679	1.0
211.11459	0.6
213.09187	1.2
219.06598	0.8
229.12343	0.5
237.07709	38.9
238.08060	2.7
251.09245	1.7
253.12321	1.1
255.10251	2.3
263.09311	1.6
273.18658	0.6
335.51517	0.5
340.12698	1.8
358.13998	0.6
381.20782	3.2
382.21091	0.6
407.18341	0.5
425.19711	100.0
426.20090	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	425.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38824	30.4
55.03086	29.6
59.01385	47.8
62.15005	33.1
80.70901	32.5
85.02985	40.5
112.42551	31.5
245.41118	31.9
267.50784	44.0
356.56284	39.9
422.44336	39.8
425.19379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1954
Annotation	Broussoflavan A
Peak:m/z	Relative Intensity
50.38824	30.4
55.03086	29.6
59.01385	47.8
62.15005	33.1
80.70901	32.5
85.02985	40.5
112.42551	31.5
245.41118	31.9
267.50784	44.0
356.56284	39.9
422.44336	39.8
425.19379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.68694	29.2
70.50574	77.4
71.01406	50.2
85.02957	30.8
89.02468	29.3
101.02438	33.7
106.33140	29.5
109.74766	29.8
110.05058	31.2
113.02468	33.3
125.73795	30.6
128.44423	26.2
161.04378	28.6
168.44855	31.2
168.61292	27.4
200.66565	36.2
201.12724	35.4
203.97501	29.6
219.13953	87.6
263.12946	29.5
425.19092	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1954
Annotation	Broussoflavan A
Peak:m/z	Relative Intensity
51.63749	30.5
56.43019	30.4
59.01379	86.7
61.98808	30.9
67.83367	33.7
69.67904	30.3
71.01382	66.9
71.55350	51.6
78.95898	43.8
84.02150	28.3
85.02954	51.4
89.02466	44.2
97.02980	27.2
127.67485	31.3
201.12827	45.3
203.10826	35.2
219.13863	52.8
263.12885	75.1
425.18906	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	13.4
59.01371	41.5
69.29926	100.0
71.01406	61.1
73.02956	17.4
85.02956	53.3
85.54288	11.9
87.69676	11.7
101.02458	54.8
106.42790	12.1
112.98637	11.6
113.02441	21.6
119.05048	29.1
130.88518	15.2
152.11508	13.4
154.42926	11.9
161.04544	27.2
163.03889	15.2
193.38399	13.3
221.95824	20.0
378.55093	14.4
425.19687	83.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1951
Annotation	Broussoflavan A
Peak:m/z	Relative Intensity
51.30185	17.8
59.01378	71.2
71.01379	83.7
81.34984	17.3
83.01349	17.8
83.70397	17.1
85.02955	73.8
89.02393	24.3
89.09223	21.2
101.02442	72.2
111.00824	20.6
113.02499	34.2
113.44448	19.4
115.40082	24.2
119.05055	25.2
161.04575	27.1
163.03972	25.7
194.87509	16.8
237.53691	17.6
242.07930	18.6
263.15140	45.7
425.19644	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.38
Annotation	C8 ceramide
Peak:m/z	Relative Intensity
56.35751	0.5
58.02988	0.9
70.26606	2.0
73.02954	6.2
74.74802	0.5
80.32389	0.5
90.14412	0.4
92.93993	0.5
102.05619	62.2
102.90717	0.5
103.05942	0.7
168.24162	0.5
338.34311	31.3
339.34586	4.3
382.33380	4.2
383.34033	0.6
424.37985	100.0
425.38315	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	425.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.5
65.03978	0.7
67.25814	0.3
69.79510	0.8
69.79926	1.0
71.01381	0.9
72.02745	0.3
73.02946	0.7
93.03468	64.0
94.03828	2.1
96.21408	0.3
98.20631	0.6
99.00867	0.3
101.02449	0.8
128.68880	0.3
137.02460	100.0
138.02798	4.1
204.15399	0.4
230.16882	0.3
255.77052	0.3
425.14542	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
64.50105	5.6
71.01405	13.7
71.92717	4.9
85.02976	8.6
92.86403	5.8
101.02459	10.3
108.08827	5.3
113.02444	8.4
126.03421	5.6
140.83192	5.4
157.38763	5.2
161.06116	16.2
165.12839	11.1
183.13930	24.1
199.76692	5.6
227.12935	51.2
252.24614	6.5
298.01157	9.8
300.01895	6.3
313.03473	9.2
315.03979	6.7
316.34494	5.6
328.06308	7.6
343.08102	15.5
353.30954	5.2
425.04199	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	425.182
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
54.18795	3.3
57.03457	3.9
59.01372	11.0
61.98834	11.7
67.66699	3.4
69.40089	3.1
70.75484	3.1
71.01391	14.7
83.05019	3.8
85.02949	7.0
95.15837	2.8
97.02959	15.3
101.02473	4.8
106.36525	4.1
108.05822	6.7
109.02948	6.2
111.04504	10.5
113.02478	7.5
113.06111	12.2
122.03792	8.6
123.08165	10.9
125.06113	21.8
136.05293	14.9
137.06084	6.6
138.06880	18.4
139.07664	41.8
148.05284	3.5
149.06082	4.3
151.07666	78.1
152.04776	7.2
152.08449	28.2
153.09262	17.4
158.89536	3.3
159.11830	4.6
161.09666	3.5
163.07672	12.0
167.07152	4.1
201.12883	31.6
203.10814	18.9
204.11545	53.4
219.13911	74.0
220.14319	4.6
229.03467	4.6
244.03499	3.8
245.11809	12.5
263.12897	100.0
264.13199	9.0
287.12906	14.3
305.13998	7.4
335.97009	3.3
370.66061	3.7
425.19260	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	423.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04163	0.7
55.01890	7.7
55.51890	0.6
57.03450	5.7
58.00591	1.9
59.01386	40.8
68.99824	0.8
69.03471	2.1
69.36801	1.1
69.37199	3.8
71.01391	65.4
72.01752	1.3
72.99319	3.0
73.02954	37.7
74.03297	0.7
75.00882	2.6
83.01396	16.1
84.65982	0.6
85.02962	38.0
86.00101	2.1
86.03316	0.8
87.00882	4.8
89.02459	11.4
95.01392	4.8
97.02961	3.2
99.00890	13.2
99.04524	1.2
101.02452	71.1
102.02790	1.3
111.00903	2.7
113.02461	23.6
114.02750	0.8
115.04018	2.0
125.02460	4.0
127.11335	1.1
129.01939	1.9
129.12860	1.3
129.95135	0.7
131.03523	3.4
135.04535	1.1
143.03496	3.3
144.03850	0.8
149.04552	1.4
150.18733	0.6
151.04488	0.6
154.09503	0.6
159.03004	5.6
161.04568	31.6
162.04921	1.6
179.03485	0.8
180.37563	0.6
191.01955	0.9
205.03470	0.7
224.34723	0.7
233.06638	3.6
242.92677	0.8
291.18176	100.0
292.18512	8.7
335.17050	1.1
423.22388	83.1
424.22754	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	423.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	6.1
57.03452	7.7
58.00583	1.8
59.01389	45.7
60.09393	0.7
69.03458	1.1
71.01392	68.2
71.54427	0.8
72.01704	1.3
72.29997	0.8
72.99302	1.4
73.02956	32.8
75.00883	2.1
81.03459	1.3
83.01399	14.9
85.02963	35.5
86.00101	1.6
87.00892	3.5
89.02454	14.3
94.19865	0.8
95.01404	4.4
97.02949	3.2
99.00893	13.2
99.04498	2.1
101.02459	62.2
102.02795	0.9
111.00887	1.8
113.02461	24.6
115.03998	1.9
119.03492	1.2
125.02412	3.2
129.01952	2.3
129.12772	0.9
131.03490	2.9
143.03494	3.0
149.04483	1.6
159.03012	7.2
161.04579	27.7
162.04916	1.3
179.03468	0.7
205.03694	0.9
205.12450	1.3
233.06641	2.6
291.18173	100.0
292.18533	7.4
423.22418	75.9
424.22604	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	423.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93869	0.7
52.08093	0.5
55.01894	7.0
57.03213	0.6
57.03454	4.9
58.00609	1.2
59.01387	40.0
65.13953	0.6
66.00900	0.5
68.99860	0.6
69.03459	2.0
69.37957	1.1
69.38358	4.5
71.01394	61.7
72.01728	1.4
72.85308	0.6
72.99301	2.7
73.02957	32.7
75.00892	1.6
81.03479	0.8
83.01396	14.3
85.02962	31.3
86.00111	1.6
87.00881	3.7
89.02452	14.3
95.01397	4.5
97.02966	2.5
99.00897	12.7
101.02458	60.2
102.02802	1.5
111.00867	1.1
113.02463	23.1
115.04020	2.7
118.21770	0.7
119.05038	1.7
123.04501	0.9
125.02453	4.2
127.04046	0.8
127.11348	1.1
129.01950	2.5
131.03534	3.3
143.03474	3.0
149.04608	0.9
159.03024	4.7
161.04581	21.4
179.10771	2.4
191.05559	0.9
199.13464	0.8
211.18134	0.6
223.09808	7.0
224.10114	0.8
233.06606	3.3
291.18176	100.0
292.18481	8.7
293.08752	1.0
423.22406	84.2
424.22751	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	423.2185
Annotation	Walsurin
Peak:m/z	Relative Intensity
59.01389	1.5
65.00305	1.0
71.54289	1.2
93.03484	0.8
96.96054	0.9
111.80869	0.7
118.03065	0.6
119.05045	31.2
120.05368	1.3
121.03043	0.8
128.78438	0.7
135.04507	1.0
151.00423	1.0
182.26358	0.8
187.07660	0.8
189.09250	1.9
202.10075	0.8
209.08113	1.1
229.08702	2.6
238.54042	0.7
245.15474	1.0
249.15039	2.4
256.17960	0.8
260.14178	1.0
263.16312	0.6
289.14536	2.3
302.15228	0.7
309.11548	0.7
323.16760	0.8
334.14279	1.8
339.22241	0.6
349.14496	2.8
353.13983	3.2
354.11160	0.9
365.13788	3.5
381.20816	2.0
408.19498	1.5
423.21866	100.0
424.22208	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	423.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49348	1.4
57.03434	3.0
59.01385	88.4
60.01707	1.6
61.98826	2.3
71.01389	20.1
71.05046	1.5
71.54198	1.9
71.54588	1.9
72.66130	1.5
72.99316	1.9
73.02946	4.5
75.00846	1.8
78.95915	59.3
83.01376	2.7
85.02963	12.2
87.00879	2.1
87.04526	27.7
89.02464	14.7
95.01374	2.3
96.96065	8.6
96.96972	100.0
97.06584	3.5
99.00872	2.5
100.07513	1.5
101.02457	13.6
113.02470	10.7
119.03503	5.3
119.05006	3.7
120.01249	1.9
125.02446	2.1
129.01889	2.0
135.04530	1.4
136.07674	1.7
137.02475	1.9
137.06024	1.9
139.11272	6.0
143.03510	2.9
150.05630	1.8
157.12270	1.3
159.06641	2.9
161.04570	5.0
163.04004	2.0
179.05620	3.0
201.11348	50.6
201.13254	2.4
202.11716	2.9
205.76460	1.3
223.06212	2.1
225.11430	6.7
235.02866	2.1
261.00867	4.8
261.13394	1.7
273.55814	1.4
285.12390	1.8
291.14584	1.8
293.08926	2.0
311.06866	1.9
347.12753	2.3
363.16614	20.6
384.83530	1.7
423.10461	6.7
423.18707	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	423.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35819	1.4
59.01389	100.0
60.01729	2.8
61.85179	1.4
71.01390	17.3
71.54044	1.8
71.54426	1.6
72.99339	1.7
73.02937	3.6
78.62840	1.4
78.95915	54.5
83.15913	1.6
85.02958	10.8
87.00906	1.9
87.04530	36.4
89.02464	17.4
96.96067	7.2
96.96973	97.8
97.06617	1.9
99.78352	1.5
101.02458	13.4
113.02463	11.5
118.65540	1.4
119.03499	6.2
119.05028	2.1
120.01288	1.9
125.02490	1.9
128.00107	1.6
129.02002	1.8
139.11284	7.9
150.03221	2.1
150.05611	4.9
159.06653	1.8
161.04625	3.5
174.98566	1.7
179.05733	2.2
200.23003	1.5
200.99689	2.1
201.11356	59.8
202.11589	3.3
225.11382	7.1
243.12317	2.3
261.00812	4.2
267.11465	2.6
285.12372	4.7
303.13608	1.9
311.10428	3.5
329.11514	3.7
331.09497	2.0
347.12607	2.0
361.10092	1.9
363.16644	20.0
373.10867	1.7
380.36914	1.7
423.10043	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	423.1821
Annotation	Lonchocarpol D1
Peak:m/z	Relative Intensity
52.55936	0.5
55.86477	0.5
57.03484	0.5
58.71729	0.5
59.01387	2.9
61.98831	0.9
69.19857	2.6
69.20290	2.1
71.01390	0.5
74.48734	0.5
78.95908	0.6
85.02943	0.5
93.03461	1.0
101.02442	0.7
102.02001	0.5
105.03525	1.3
117.03468	2.3
119.05043	88.6
120.05386	4.1
121.02994	2.6
135.00969	0.5
136.01624	0.9
145.02965	4.1
149.02472	1.1
153.01953	0.4
157.06613	1.5
159.08191	1.1
161.02531	3.0
177.01936	0.7
179.03485	0.7
194.02289	0.7
201.05360	0.6
203.07196	2.5
221.08150	0.8
223.07535	0.7
225.05621	2.1
231.10315	0.7
239.07254	1.0
255.03014	1.9
267.06644	28.1
268.07004	3.4
281.08160	2.7
283.02582	1.2
285.11310	1.2
303.12399	5.3
323.12823	2.3
387.16031	6.7
388.16156	1.1
395.18484	1.0
405.17166	6.3
421.16656	1.0
423.18161	100.0
424.18533	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	423.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
59.01386	3.0
61.98826	0.7
64.82508	0.5
69.92953	2.9
71.01398	0.7
71.23619	0.6
73.02981	0.9
78.95930	0.6
83.01420	0.8
85.02952	1.5
93.03484	1.2
98.20013	0.8
101.02414	1.1
105.03489	4.1
117.03477	2.7
119.05043	100.0
120.05346	4.1
121.02973	2.7
133.02881	0.7
145.02953	4.4
147.04550	0.9
149.02475	4.3
159.90492	0.6
161.02438	7.0
167.03479	1.4
171.04532	0.6
173.71739	0.6
177.01950	6.0
191.03537	1.3
214.06366	1.4
223.11371	0.8
225.05637	1.0
267.06647	11.0
267.10236	2.5
268.07178	1.8
269.08078	1.6
279.06543	1.4
281.08240	5.4
285.11380	2.3
297.07803	3.6
303.12311	2.1
311.09186	0.9
323.12915	1.0
343.04523	1.6
379.15710	0.8
387.16028	27.0
388.16367	2.7
405.17053	23.4
406.17368	3.5
421.16571	8.8
422.17233	1.0
423.18158	98.3
424.18509	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	423.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.3
60.19170	0.5
69.37610	0.7
71.01395	1.0
71.55095	0.8
73.02926	0.6
83.05008	0.5
85.02947	0.9
87.73522	0.5
89.45965	0.5
93.03475	1.1
101.02428	0.6
105.03451	3.5
108.02090	0.6
109.02927	0.8
113.02467	0.7
117.03474	3.1
118.28984	0.7
119.05041	97.8
120.05366	4.1
121.02954	2.8
123.04540	0.7
133.02975	1.8
145.02998	3.5
149.02405	3.8
161.02470	7.0
161.04590	0.6
161.39857	0.6
162.03079	0.6
163.04097	0.6
167.03488	1.7
169.06602	0.9
171.04591	0.7
177.01945	4.8
178.50723	0.6
179.03419	0.7
191.03525	1.3
195.02969	1.7
213.05545	0.8
214.06322	1.2
223.11244	0.8
225.05643	0.8
237.28317	0.6
239.07094	1.3
267.06650	13.1
267.10208	2.6
268.06989	1.5
269.08295	0.9
279.06754	1.4
281.08279	4.9
285.11340	1.7
291.17969	1.1
297.07666	3.1
297.45563	0.6
303.12418	2.6
311.09280	0.6
328.02322	1.0
343.04733	1.4
345.14944	1.1
361.44308	0.7
379.15433	0.7
387.16019	29.1
388.16403	3.5
405.17072	26.0
405.22495	1.2
406.17612	4.3
412.04230	0.7
421.16632	7.3
422.16989	0.9
423.18149	100.0
424.18463	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	423.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02579	0.6
58.85397	0.7
63.02410	5.9
65.00337	14.3
69.82145	3.7
83.01393	8.6
95.11971	0.8
106.04242	1.4
106.66907	0.7
107.01398	19.9
119.05042	23.7
120.05424	1.0
125.02464	1.8
132.05817	17.7
133.06673	3.7
134.03725	1.3
135.04541	45.5
136.04877	2.3
145.06607	1.3
151.00381	62.6
152.00737	2.1
152.99448	0.7
161.02473	0.8
164.04817	7.0
165.01984	1.3
169.01411	1.0
175.11240	0.9
177.01965	3.2
182.01988	0.7
182.47179	0.8
185.09753	1.2
198.54332	0.7
201.12862	15.8
202.13196	0.9
245.15242	0.7
253.15990	1.5
271.14111	1.4
271.17044	16.8
272.17401	2.2
287.12955	9.5
303.12369	1.7
305.13882	3.4
405.17154	1.3
423.18164	100.0
424.18515	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	423.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58857	0.8
52.24353	0.7
54.79679	0.7
63.02407	9.5
65.00335	18.3
66.00681	0.8
69.56976	4.4
69.57372	1.4
70.04177	0.6
78.53005	0.6
82.79738	0.7
83.01398	11.0
107.01402	24.7
108.02244	0.8
119.05059	2.1
120.05797	1.3
125.02482	1.8
133.06595	4.3
135.04550	2.9
136.01645	1.0
146.07393	29.1
147.07787	1.4
151.00386	96.9
152.00668	4.4
164.01157	2.4
165.01959	2.1
169.01440	2.2
175.11302	4.6
177.01923	5.1
178.06372	24.8
179.06691	2.1
187.11249	0.9
198.10533	1.0
201.12869	85.2
202.13181	6.5
203.10789	1.3
209.59927	0.7
219.06671	1.3
238.37334	0.7
246.81335	0.7
253.16040	6.2
254.16316	0.8
271.17059	18.8
271.19901	1.4
272.17426	2.1
287.12878	1.0
319.27399	0.8
353.13968	8.3
375.92105	0.8
405.16946	1.4
423.18167	100.0
424.18524	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	423.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67167	0.6
59.01385	10.6
61.98830	0.8
67.77842	0.5
69.38631	4.4
71.01393	3.3
72.98870	0.5
73.02958	1.5
83.01394	0.7
85.02960	3.9
89.02462	1.0
91.01918	1.0
93.03481	1.4
99.00896	1.0
101.02452	3.6
101.03043	0.4
105.03471	2.7
107.05032	0.6
109.02975	0.7
113.02469	1.5
117.03498	5.1
119.05042	100.0
120.05362	4.4
121.03002	1.4
126.86606	0.5
131.05029	0.7
133.02962	0.8
135.04555	1.3
145.02957	2.7
148.05301	0.5
149.02501	2.5
159.04495	0.9
161.02443	15.8
161.04538	1.2
162.02948	0.8
165.01968	1.5
167.03526	1.7
175.03998	1.3
179.03517	1.6
183.08122	1.1
185.02426	0.8
194.02206	0.7
203.03537	1.9
203.07242	0.7
207.08281	1.2
209.03160	0.7
223.11351	0.7
225.05579	2.3
226.06114	0.8
227.07089	3.5
239.07098	0.8
245.08101	0.9
267.06628	12.7
267.09790	0.7
268.06927	1.5
269.08075	0.6
281.08267	7.7
282.08688	1.0
285.11371	3.7
291.18228	4.5
298.01117	0.6
303.12338	0.9
306.09088	1.0
313.03543	1.6
323.09283	3.6
328.02362	0.7
343.08405	0.9
347.13043	1.1
405.17117	1.8
423.18124	92.6
424.18509	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	423.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27890	0.7
57.03446	3.4
62.60361	0.7
65.00330	1.6
66.01442	0.9
69.74677	4.4
74.66478	0.8
81.66982	0.9
83.01394	1.5
83.05039	5.0
84.79369	0.7
91.79003	0.7
93.03458	0.9
94.42611	0.7
95.01379	0.8
102.51516	0.8
107.01414	0.9
109.02952	1.1
117.03448	1.6
119.05040	100.0
120.05367	3.1
121.02979	12.5
123.08181	11.4
124.01668	2.1
125.02448	12.4
125.64396	0.9
131.05025	0.9
133.06627	1.3
135.00883	1.7
135.04506	1.1
136.01619	1.8
137.02512	1.8
143.05040	1.6
145.02971	14.8
149.02466	2.3
149.99641	1.5
151.00389	4.0
152.01157	5.2
153.01993	0.8
159.04501	1.2
161.02495	1.4
161.06070	1.2
162.03250	2.2
175.04065	0.9
178.99896	1.1
183.08118	1.3
185.05968	0.8
187.04001	3.5
188.04778	2.0
194.02176	1.3
199.07652	1.2
213.05542	1.1
225.05481	1.8
227.07182	5.9
228.07735	1.3
241.08676	1.8
255.06561	1.3
267.06619	12.4
268.07288	2.5
271.09808	11.1
272.10086	1.1
276.13742	1.3
277.14529	0.8
279.06622	5.4
285.11252	1.7
289.10904	1.6
303.12469	3.0
307.09857	3.0
308.10620	1.8
347.12894	13.3
348.13232	1.4
363.12479	1.6
379.19180	1.9
389.17480	1.0
391.15546	56.3
392.15887	7.6
395.18628	12.6
396.18958	2.1
405.16989	2.2
406.17596	2.5
423.18167	41.1
424.18628	6.6
436.82889	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.6
59.01384	0.4
63.02386	0.7
65.00332	7.1
68.99823	0.4
70.72378	0.9
74.42288	0.3
79.01898	1.7
83.01395	4.7
84.93214	0.3
95.05016	0.7
99.92600	3.9
100.61795	0.4
107.00725	0.6
107.01402	7.5
107.05011	0.3
108.02184	0.6
110.03754	0.5
119.05044	4.5
121.02996	1.8
123.00878	1.5
125.02423	1.6
125.05254	0.4
125.06105	4.4
132.05818	5.1
133.02907	0.4
133.06595	1.0
135.00856	1.4
135.04462	0.6
136.01640	2.4
137.02425	0.6
146.07437	0.9
149.06119	3.1
151.00383	22.0
152.00801	1.1
161.09702	0.6
163.00375	5.7
164.01109	1.3
164.04807	2.7
165.01907	2.6
167.07126	2.1
173.06090	1.0
177.01909	0.4
178.06317	0.6
187.11293	16.5
188.11633	1.1
191.03516	0.5
191.07155	1.0
193.05051	0.6
195.04555	0.4
195.99945	0.4
199.03893	0.7
201.12868	3.6
202.13177	0.4
203.10828	1.1
209.08189	0.5
209.70839	0.4
210.06891	0.4
211.03999	0.5
211.11320	0.7
213.05597	0.9
213.09308	0.6
217.05103	1.7
218.97543	2.3
219.06435	0.8
219.98184	0.4
223.07777	0.4
229.12421	0.6
235.06134	13.0
236.06490	0.9
237.05620	0.6
241.12375	1.7
253.08690	0.5
253.12222	0.5
255.10275	0.7
263.10629	0.6
265.12375	1.8
267.10303	1.6
267.14032	0.4
271.09897	0.5
271.13464	0.4
271.17065	2.7
281.11752	0.7
283.13425	2.8
295.17090	0.5
307.13461	1.3
309.07751	0.4
309.14859	0.8
313.17911	0.9
337.18112	1.0
337.56177	0.4
339.16132	1.3
351.12408	2.5
352.12988	0.7
353.13974	0.5
379.19138	3.5
380.19528	0.5
381.17081	0.8
405.17065	1.1
407.17572	0.4
423.06506	2.4
423.18146	100.0
424.18478	15.1
434.87793	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1818
Annotation	Lespedezol D6
Peak:m/z	Relative Intensity
53.79295	0.2
65.00327	0.6
65.03967	0.4
68.35651	0.2
68.99839	0.9
69.82204	1.2
78.74317	0.2
89.95126	0.2
91.01910	9.6
92.02248	0.3
93.03473	1.2
95.01437	0.2
103.23339	0.2
105.03490	0.4
107.67159	0.2
108.02202	0.2
109.02969	1.4
110.33436	0.2
117.03506	0.5
119.01410	3.8
119.05041	100.0
120.05368	4.5
121.02977	0.4
133.02988	0.8
135.00903	9.6
137.02461	10.5
138.02782	0.4
143.37206	0.2
145.02963	2.9
147.00871	0.4
148.01694	0.4
149.02431	0.8
153.01935	1.6
163.00391	32.2
164.00726	1.7
169.06616	1.0
175.00345	0.7
177.01967	0.3
181.01459	0.7
187.03983	0.3
193.06558	0.4
195.04515	0.3
208.05278	0.5
209.06085	0.7
211.07671	0.7
213.05626	0.4
221.06117	0.3
237.05641	1.6
239.07123	2.5
253.05002	0.3
255.06660	0.9
265.05182	0.3
279.06631	3.2
280.06924	0.5
281.04562	3.9
282.04953	0.4
283.06143	61.4
284.06458	6.1
285.11249	0.5
294.05353	0.8
299.74939	0.3
303.12372	0.6
339.12424	0.3
346.92178	0.2
387.16037	0.4
395.18716	0.5
405.17224	2.1
406.17471	0.6
423.18161	42.7
424.18445	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	423.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02397	0.6
65.00326	2.6
81.84250	0.4
83.01406	0.5
93.03480	0.8
95.05035	0.3
104.84247	0.3
107.01344	0.9
117.03529	0.4
119.05042	100.0
120.05383	3.8
121.02008	0.4
121.02928	0.6
123.08144	0.5
125.06135	0.7
132.05830	4.0
133.02951	1.0
133.06604	0.4
135.00912	0.4
136.01665	0.4
149.02417	0.7
149.06113	3.2
151.00380	3.6
161.06157	0.8
164.04843	2.3
167.07135	1.2
173.06082	0.6
176.01221	0.6
177.01881	0.7
187.11316	9.1
188.11655	0.9
191.07149	1.0
235.06126	7.7
236.06451	0.6
253.16026	1.4
255.10194	0.4
261.07782	0.5
271.17142	2.0
279.06668	1.5
285.11270	0.4
303.12341	2.5
383.51404	0.4
405.17133	1.0
423.18173	50.3
424.18558	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	423.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71085	1.0
60.50160	0.9
63.02410	7.7
65.00333	19.3
66.14204	0.8
70.58089	2.3
70.58449	1.2
83.01402	9.0
87.47580	0.9
107.01408	23.6
118.30938	0.9
119.05029	2.9
125.02457	1.7
132.05862	1.1
135.04535	15.6
139.78767	1.2
151.00383	81.2
152.00735	2.7
154.33919	0.9
161.02536	1.6
165.01961	2.3
169.01451	1.0
177.01944	2.4
186.10461	2.1
194.15228	0.9
198.10555	6.4
201.12778	1.3
213.12918	1.1
218.09392	2.4
227.14394	1.1
230.09532	7.7
232.11005	1.3
241.15994	24.6
242.16377	2.0
253.15993	25.0
254.16315	2.9
271.17050	27.0
272.17358	2.6
287.13028	4.4
287.15964	0.9
327.00821	1.0
405.17236	4.3
423.18158	100.0
424.18515	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	423.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27880	0.6
55.76566	0.6
70.84919	1.5
85.02071	0.7
91.01900	1.0
93.03487	1.4
96.95999	0.6
105.03472	0.8
119.05042	100.0
120.05361	4.3
121.03000	1.1
124.80831	0.7
124.95020	0.5
128.46501	0.6
132.05792	3.2
133.03061	0.6
135.00920	2.2
136.01688	0.7
145.02988	2.6
145.06630	1.0
163.00357	4.8
164.04842	1.5
165.01964	0.7
165.37537	0.7
167.22403	0.7
175.04008	1.0
185.06096	0.9
187.04053	0.9
187.11279	6.2
188.11610	0.8
189.05623	2.4
199.11324	2.7
203.07207	1.0
209.09822	1.2
211.11353	1.8
215.07100	1.0
235.06117	2.9
243.10228	1.5
255.10243	0.9
267.06564	0.8
273.11356	5.0
285.11371	1.2
291.12592	1.0
303.12421	15.4
304.12848	1.3
309.11227	1.3
321.13406	1.6
354.11087	1.0
393.17081	2.2
405.17014	0.8
423.18185	92.7
424.18549	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	423.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99817	3.9
83.01416	1.3
91.01898	4.9
95.01404	1.1
98.19898	2.8
110.00109	8.3
119.05051	11.1
123.00885	2.6
124.01669	2.8
133.06596	2.5
135.08168	1.6
137.02348	1.2
137.99588	8.3
143.05017	1.6
149.02519	1.7
151.00430	5.2
152.01181	3.2
157.06633	1.2
163.00386	10.8
163.04021	11.5
164.01010	1.0
165.01875	2.3
177.05589	4.4
178.06366	8.0
178.99892	3.0
179.07104	1.4
188.04686	1.3
189.05586	2.0
190.99971	2.5
191.03539	7.8
191.07172	5.8
192.07945	2.4
205.05136	6.1
206.05827	4.7
207.06631	6.8
216.04434	1.2
216.36491	1.1
217.05051	1.3
219.06601	13.2
220.07385	4.9
221.08153	1.8
233.04541	2.0
234.05354	26.6
235.06160	14.6
241.04988	1.7
247.06099	2.3
248.06915	10.9
261.07828	1.2
275.67081	1.1
299.05457	1.2
311.05600	4.8
327.11877	1.1
354.11111	100.0
355.11438	11.7
405.17029	1.4
423.18146	20.6
424.18359	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.7
63.02406	8.6
65.00333	16.4
70.72141	1.6
72.11412	0.6
83.01395	9.9
83.80375	0.6
91.28635	0.6
104.97259	0.7
107.01405	25.5
108.02231	1.0
109.08533	0.8
119.05024	2.5
124.01655	1.0
125.02482	3.9
136.01642	0.8
142.78761	0.6
146.07391	28.8
147.07715	2.2
151.00378	100.0
152.00728	4.3
164.01166	2.1
165.01900	2.7
169.01385	1.3
175.11276	3.1
177.01971	3.8
178.06375	24.0
179.06769	1.1
195.39001	0.7
196.23595	0.7
198.10614	0.8
201.12865	78.4
202.13196	6.5
230.09715	1.0
245.15735	0.7
253.15984	6.0
269.15796	0.9
271.14133	1.0
271.17053	20.4
272.17343	1.8
282.71924	0.7
306.70566	0.7
353.13992	8.4
354.14334	1.0
395.18741	2.7
405.16800	0.8
423.18152	89.3
424.18552	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	423.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	12.7
61.98835	100.0
70.84831	23.4
84.23914	9.0
96.85332	9.5
98.88332	8.2
108.58427	8.5
114.55843	9.0
160.04103	10.1
189.04112	10.2
201.68935	8.3
285.51849	10.5
343.13098	10.1
361.14120	15.7
387.16696	16.3
423.18167	23.2
446.82471	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	423.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	100.0
60.39729	7.5
61.98848	11.8
65.48423	7.7
71.01395	42.6
71.55003	12.3
73.02954	8.5
74.48270	7.2
75.00864	9.3
85.02960	36.7
89.02480	12.5
96.95939	7.7
99.85220	8.5
101.02438	22.8
113.02469	15.6
154.40929	8.0
187.09819	11.4
218.05840	13.7
233.08224	37.1
260.31888	9.3
261.07687	56.5
273.07666	8.5
281.38373	8.6
423.12823	25.3
423.17847	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83174	0.4
53.87091	0.4
59.01408	0.3
63.02408	2.2
65.00018	0.4
65.00340	5.3
67.71399	0.3
67.98145	0.4
71.01418	0.6
71.01769	0.6
80.34675	0.4
83.01396	2.7
93.03470	1.1
107.01406	7.8
107.05042	0.4
119.05041	94.8
120.05387	4.2
132.05818	7.1
143.05086	0.6
144.05846	0.6
144.84981	0.4
145.02982	1.6
146.07469	0.5
151.00385	22.1
152.00764	0.8
154.96725	0.4
156.05846	1.0
159.04533	0.4
164.04836	2.4
165.01979	0.7
170.07204	0.4
172.05367	0.4
173.05873	0.4
177.01909	1.2
185.06099	0.5
187.11336	0.7
199.04021	0.4
199.11278	2.6
201.12831	0.7
211.11304	1.9
213.12871	5.5
214.13080	0.6
217.12334	0.6
226.09999	0.6
227.07146	0.5
229.12405	0.7
234.05408	0.7
239.98145	0.4
243.10271	2.0
245.11853	0.4
253.15979	1.2
255.10324	1.4
257.11798	1.5
271.17010	3.2
272.17371	0.5
273.11337	11.5
274.11942	0.7
285.11353	3.2
291.12482	1.2
303.12402	8.2
304.12717	1.0
315.80942	0.5
354.11124	1.1
363.15936	1.2
372.94580	0.4
375.16245	0.8
393.17093	6.5
394.17502	1.0
405.17056	1.1
423.18167	100.0
424.18539	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	423.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
57.03456	36.6
59.01386	33.2
69.03429	1.6
69.36243	1.2
71.01378	2.8
71.55516	1.3
81.77225	1.1
83.05034	2.7
85.02979	1.5
93.07128	1.3
95.05074	2.5
97.02948	10.8
97.06580	1.7
98.20667	3.0
99.04532	18.1
101.02448	9.0
107.05045	1.4
109.02955	7.6
109.06611	13.0
111.04520	6.0
119.08661	5.9
121.06598	4.3
122.03741	13.6
123.08164	1.6
124.05309	6.2
125.02455	14.7
125.06107	1.8
133.06593	1.6
135.04507	1.3
135.08134	2.3
135.28020	1.3
136.05333	1.9
137.06087	13.6
137.09700	2.4
139.07657	38.5
140.07965	1.9
145.10182	1.7
147.08165	2.7
148.05252	1.5
149.22406	1.4
161.04474	1.9
163.07645	4.3
163.11337	2.7
168.07941	4.3
169.08682	2.1
171.08215	2.1
173.06067	2.1
175.46698	1.5
177.12863	5.0
185.09679	1.5
187.11304	39.0
188.11623	3.9
189.09210	2.1
190.10002	9.4
199.07640	2.5
199.11240	1.5
201.05528	2.6
205.12349	100.0
206.12679	7.3
217.12283	8.9
223.09758	1.7
235.13405	21.4
236.13829	1.7
249.11438	8.5
261.11356	3.2
279.12381	59.2
280.12793	5.6
321.13550	9.0
423.16748	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32137	12.1
57.09985	13.6
59.01385	65.3
70.69665	28.4
71.01399	28.8
72.99325	23.1
85.02950	29.1
89.02441	21.6
90.98682	13.9
91.39816	13.4
101.02480	16.6
105.83118	15.9
113.09553	14.5
116.07156	16.6
142.63084	14.9
145.02971	100.0
170.12852	12.5
262.10818	47.9
363.17151	14.9
387.16501	43.0
405.19656	13.1
423.18042	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1794
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
50.56910	10.4
57.03444	10.5
59.01390	31.8
64.87756	9.4
66.17269	9.9
71.01386	16.7
77.91341	9.6
78.54511	10.1
85.02940	29.5
85.83518	10.8
89.85321	9.5
97.06589	9.3
98.20667	32.1
101.02457	13.0
113.02519	10.9
115.07687	12.2
125.09755	11.9
130.05252	10.8
187.09898	16.2
229.00143	11.7
423.17999	100.0
424.18411	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	423.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48814	2.0
51.11443	2.0
59.01113	4.4
59.01387	56.3
61.98826	8.4
71.01389	19.3
71.54494	3.2
71.54840	2.8
73.02948	5.5
78.95860	2.8
79.03460	2.2
80.65472	2.6
84.55640	2.5
85.02960	20.3
89.02440	12.2
96.95991	6.8
96.96980	3.5
101.02434	11.9
113.02464	6.7
119.03523	3.6
127.07672	5.6
128.03595	2.7
129.01927	5.8
133.26805	2.5
135.04567	2.8
138.05569	5.9
145.02943	17.1
149.02402	4.0
150.03220	6.2
151.03979	8.1
163.11258	2.6
165.01987	3.1
165.05592	16.1
166.06253	3.0
181.05080	4.4
195.06697	6.2
225.07722	100.0
225.11264	7.2
226.08006	5.7
227.09334	2.9
262.10834	9.0
277.08246	2.8
291.14447	6.1
305.11584	3.8
363.16629	5.4
387.12891	7.4
387.17038	4.8
423.13873	6.6
423.18628	8.6
423.26248	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	423.1665
Annotation	Ainsliaside B
Peak:m/z	Relative Intensity
55.01876	0.6
57.03455	30.2
58.03788	0.7
59.01387	39.8
69.03482	0.8
69.51028	2.6
69.51436	1.1
73.61134	0.5
81.03453	0.7
83.05028	0.9
95.05048	1.4
97.02963	4.5
97.06618	0.9
99.04536	18.1
99.05190	0.9
101.02446	5.5
107.05061	1.1
109.02955	3.2
109.06614	3.5
111.04539	2.9
119.08655	0.8
121.06612	2.4
122.03738	6.1
123.04550	1.1
124.05322	14.3
125.02462	1.5
125.06131	3.2
133.06612	5.3
135.08186	1.0
136.05310	0.8
137.06104	7.6
139.07669	100.0
140.08006	4.6
140.63968	0.5
145.10295	0.5
147.08195	2.8
149.06068	1.5
151.07668	0.9
161.04578	7.8
163.07648	1.2
168.07933	17.4
169.08734	11.6
170.09085	1.2
171.08136	1.6
175.11235	0.8
177.12846	1.3
181.08711	3.6
187.11298	8.8
190.10030	2.4
199.11232	0.7
205.12347	21.6
206.12695	2.1
210.08957	2.2
211.09831	2.7
217.12384	1.6
221.11780	1.2
225.05629	0.8
231.10202	0.5
235.13406	5.3
236.13742	0.6
249.11345	5.6
250.11821	0.8
251.12866	0.9
261.11374	1.1
279.12399	52.9
280.12799	4.7
321.13367	2.8
391.10931	0.5
397.09561	0.6
423.16852	4.1
424.17126	0.8
446.28809	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32051	0.2
54.93814	0.2
59.01382	0.3
63.02382	0.4
63.77036	0.2
65.00333	3.8
66.00691	0.2
67.01906	0.8
68.99822	10.2
69.22112	1.9
71.01402	0.4
72.99313	0.6
78.01118	0.4
79.01901	2.4
79.05557	0.5
80.96539	0.6
83.01392	8.6
85.02965	0.2
87.00912	0.3
89.03986	0.2
91.01906	15.6
91.05543	0.7
92.02258	0.5
92.99795	0.2
93.03469	0.6
93.07092	0.2
95.01395	2.2
96.99316	0.4
97.02988	0.3
99.00934	0.2
101.03993	0.7
103.05547	0.6
105.07142	0.6
107.01431	0.6
107.05032	1.1
108.02186	2.2
109.02979	0.4
109.06620	0.7
110.00112	13.4
111.00980	1.3
111.08176	0.8
115.05547	1.4
116.05867	0.2
117.03490	0.7
117.07139	0.4
119.01399	0.9
119.05058	2.2
119.08687	0.3
119.65907	0.2
121.02970	0.8
121.06585	0.4
123.00898	6.9
123.01769	0.4
124.01688	5.7
124.98815	0.5
125.02457	0.6
129.03493	0.6
129.07091	0.4
131.05055	1.2
132.05833	5.8
133.03018	0.3
133.06621	10.8
134.06996	0.4
135.00923	0.9
135.04538	3.2
135.08185	6.0
136.01672	6.6
136.08505	0.3
136.98813	0.5
137.02467	4.7
137.99606	9.7
139.00374	0.9
141.99092	1.1
143.05032	0.8
145.03026	0.4
145.06577	0.6
147.04543	1.1
147.08194	0.2
148.05251	0.4
149.02444	4.4
149.06097	1.2
150.03163	0.4
150.06860	0.7
151.00378	9.5
151.03981	0.8
151.07581	0.2
152.01170	10.7
152.98344	0.2
153.01929	1.1
154.99904	0.3
156.00661	2.0
157.06593	1.7
159.04536	1.0
159.08226	0.3
161.02397	0.3
161.06114	1.3
161.09709	0.4
162.06888	0.6
163.00397	17.3
163.04025	19.8
163.07658	1.9
164.01198	3.4
164.04800	3.8
164.98253	0.3
165.01950	7.0
165.05563	0.6
165.99120	1.4
166.02380	0.3
166.99817	0.3
167.03477	0.3
167.07155	1.4
168.00578	0.2
169.01466	0.2
170.02217	0.2
173.02467	0.4
173.06129	1.2
174.03212	0.3
175.03975	1.1
175.07686	0.5
176.01199	0.3
176.04756	1.5
177.01993	3.6
177.05583	13.0
178.06371	11.6
178.99893	4.5
179.03444	0.9
179.07156	5.1
180.00670	1.0
180.07620	0.3
182.02167	0.2
182.05853	0.5
185.02165	0.2
185.06104	0.3
187.04018	1.0
187.11299	17.2
188.04785	0.7
188.11662	1.5
189.01923	1.6
189.05559	1.7
190.02530	0.3
190.99898	5.5
191.03525	11.4
191.07150	11.1
192.00648	1.5
192.04047	1.1
192.07922	6.5
193.01424	1.7
193.08382	0.4
195.03059	0.3
201.02065	0.2
201.05563	1.7
202.06155	0.3
203.03532	0.4
203.07176	0.6
204.04276	0.2
205.01564	2.6
205.05075	18.5
206.01979	0.3
206.05826	6.8
207.02989	0.9
207.06644	28.7
208.07205	2.8
213.05600	0.7
215.03568	1.5
216.04268	1.2
217.05086	1.3
219.03044	1.9
219.06636	16.6
220.07413	14.6
221.07986	2.0
229.05087	0.8
230.05812	0.7
231.06697	0.4
232.03717	0.2
233.04594	3.7
233.08229	0.6
234.05347	40.8
235.06117	42.8
236.06517	2.7
243.06703	0.5
247.06131	3.6
247.08427	0.3
248.06908	36.5
249.07317	2.6
250.08492	1.5
253.07245	0.2
255.10324	0.7
256.17856	0.3
257.11890	1.2
261.07672	3.0
272.10373	0.2
283.06354	0.4
297.11404	0.3
309.11557	0.6
310.04785	0.3
323.12820	0.6
325.10971	0.3
326.11673	1.6
327.11829	0.3
337.10834	0.3
339.12408	0.6
349.11014	0.4
351.12375	2.3
351.16077	0.5
352.12802	0.2
353.10287	1.6
354.11020	0.6
356.81354	0.3
361.10870	0.9
366.18457	0.6
367.12073	0.9
378.18314	0.3
379.11789	4.5
380.12192	0.4
394.17859	3.0
395.18317	0.2
404.16254	2.2
405.16843	1.2
406.16949	0.2
407.15076	0.3
421.16592	0.4
422.17371	100.0
423.17719	15.3
436.14905	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01240	0.9
59.01384	1.1
63.68685	1.0
78.95916	7.7
110.97845	1.4
110.98539	13.8
119.05038	1.3
121.41081	1.0
152.99620	0.9
163.11307	100.0
164.11635	4.7
165.01918	3.7
167.01170	1.8
168.62769	0.9
169.15254	0.9
174.45993	0.9
184.59222	0.9
185.02222	22.6
192.16676	1.1
230.48448	0.9
232.11046	2.0
253.21782	5.2
255.17642	4.2
339.23303	58.9
340.23618	8.0
358.80789	1.0
379.21353	1.0
421.19861	9.9
427.75168	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95614	0.4
55.01883	3.1
57.03456	2.3
58.00595	1.3
59.01385	27.9
61.98819	0.8
67.07455	0.5
69.03458	0.5
69.38860	0.7
69.39269	2.8
71.01389	31.6
71.05035	2.6
72.01736	0.7
72.25180	0.4
72.99319	1.7
73.02560	0.9
73.02956	12.2
75.00873	1.2
76.66622	0.4
82.70584	0.4
83.01396	5.4
85.02958	17.5
85.06589	1.2
86.00077	0.6
87.00880	2.0
87.21098	0.5
89.02454	4.8
95.01393	2.9
97.02987	0.9
99.00903	4.9
101.02454	24.4
102.02823	0.6
104.71822	0.4
111.00900	1.4
113.01723	0.9
113.02464	12.1
118.99580	0.4
119.03504	0.8
119.05103	0.4
123.97324	0.4
125.02448	1.0
125.94801	0.4
127.11211	0.5
129.01949	0.7
131.03510	5.3
135.04568	0.6
141.12871	1.4
143.03517	1.0
159.02988	2.0
161.02483	0.5
161.04565	11.1
169.12312	0.5
176.21722	0.5
187.51335	0.4
193.16838	0.4
195.17487	1.0
210.98167	0.5
211.17009	1.0
213.18604	1.4
215.09930	0.7
241.18181	4.7
242.18352	0.7
251.89113	0.4
257.17719	0.7
259.19174	13.3
260.19507	1.5
289.16595	13.6
290.16998	1.1
336.77042	0.5
403.23346	6.2
404.23969	0.6
419.22910	0.5
421.14697	2.3
421.24515	100.0
422.24857	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	421.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	6.9
57.03455	5.0
58.00590	1.8
59.01388	52.0
60.08060	0.8
66.84901	0.7
68.62125	0.8
69.03440	1.5
69.90589	0.9
71.01390	72.5
71.54766	0.7
71.55174	1.0
72.01714	1.6
72.99310	3.1
73.02957	34.2
74.03251	0.9
75.00860	2.6
76.37022	0.7
83.01394	13.9
85.02961	36.0
86.00118	1.5
86.03331	0.9
87.00879	3.5
89.02453	20.1
95.01397	4.8
97.02972	3.9
99.00893	13.6
99.04549	0.8
101.02456	63.0
102.02805	0.9
111.00869	2.3
113.02467	29.2
114.02771	1.5
115.03989	2.1
119.03490	3.2
125.02477	4.8
129.01892	1.1
131.03500	2.9
143.03493	3.8
143.19286	0.9
149.04552	2.1
159.02977	6.5
161.03296	1.9
161.04573	31.9
162.04898	2.1
205.03458	1.3
233.06642	2.6
289.16608	100.0
290.16986	8.2
292.35767	1.0
293.08728	0.8
421.20718	63.7
422.21082	7.9
444.20398	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.4
57.03447	1.8
58.00600	3.9
59.01384	86.2
60.01709	1.1
69.03472	1.0
69.39150	6.3
71.01387	65.4
72.01701	1.0
72.40747	0.7
72.99316	3.3
73.02557	1.4
73.02952	17.4
73.03362	1.1
75.00885	1.6
81.03480	1.1
83.01379	4.2
85.02961	12.9
87.00872	3.0
89.02452	100.0
90.02798	1.5
94.46765	0.8
95.01394	2.9
97.02956	3.1
99.00892	18.1
99.56241	0.8
101.02452	44.5
102.02803	0.9
111.00874	0.9
113.02459	22.2
115.04042	2.1
116.48337	0.8
119.03510	25.2
121.50625	0.8
125.02473	5.5
131.03514	13.2
143.03517	6.0
149.04572	29.3
159.03023	1.0
161.04579	5.8
179.05626	10.2
185.03265	0.7
191.05637	7.7
211.46968	0.7
233.06587	3.6
237.58923	0.7
280.49728	0.8
289.16571	3.0
293.08707	1.4
359.92032	0.8
421.20807	41.0
422.21085	4.3
435.59198	0.9
436.97668	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60654	0.5
57.03439	0.6
59.01386	100.0
60.01713	0.8
61.08627	0.5
61.98816	0.7
69.37389	3.6
69.84592	0.5
71.01402	5.3
72.95463	0.5
73.02959	1.0
81.96986	0.5
83.73293	0.4
85.02975	2.0
89.02444	3.1
98.20694	1.1
99.00895	0.5
100.77766	0.4
101.02454	4.0
113.02476	2.0
119.03547	1.6
137.65961	0.5
171.10252	0.5
181.12337	2.8
259.15643	0.6
291.09802	0.8
345.11148	1.1
361.18713	29.3
362.19165	3.3
403.27145	0.8
421.12637	1.1
421.21097	1.7
421.28180	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86899	0.6
53.58105	0.5
59.01387	100.0
60.01730	1.6
69.51665	1.9
69.52094	1.9
71.01395	3.9
72.99348	0.5
73.02982	1.1
74.78722	0.5
75.00887	0.6
82.68437	0.5
83.01423	0.7
85.02970	1.6
89.02469	2.0
92.94069	0.5
96.96058	0.5
101.02493	2.1
104.01579	0.5
113.02457	1.3
147.18872	0.5
150.03284	0.7
161.04587	0.9
181.12402	1.1
199.13466	2.0
327.12329	0.7
361.18707	26.6
362.19180	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2084
Annotation	1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01885	7.5
57.03456	5.1
58.00607	1.8
59.01387	43.3
60.01717	0.7
67.00304	0.6
68.04978	0.4
69.03465	2.6
69.39434	4.0
71.01390	100.0
71.05045	0.7
72.01736	2.3
72.99315	2.2
73.02956	42.9
74.03282	0.5
75.00874	2.6
78.45096	0.5
81.03465	1.5
83.01400	14.2
84.02153	0.6
85.02961	44.0
86.03296	1.5
87.00888	4.4
89.02457	26.1
95.01402	8.5
97.02967	4.6
98.20649	1.2
99.00895	21.9
99.04514	0.7
101.02454	64.4
102.02797	1.7
111.00879	1.4
113.02463	37.3
114.02803	0.9
115.04016	3.8
119.03539	1.2
125.02453	9.4
127.02625	0.5
127.03989	1.0
127.11315	2.2
129.01947	2.0
131.03526	5.7
143.03500	4.2
149.04582	3.8
159.03021	7.2
161.04575	44.0
162.04910	1.9
162.17648	0.6
191.05649	1.9
193.12344	0.8
233.06673	9.4
264.98022	0.6
289.16592	56.3
290.16937	4.9
293.08777	3.5
300.63977	0.5
311.97952	0.5
379.06104	0.6
418.01309	0.6
421.20816	75.0
422.21149	9.6
439.01767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62893	1.1
55.52122	0.9
59.01387	100.0
61.14349	0.9
71.01388	11.3
72.99317	1.8
73.02956	3.2
75.00879	2.2
83.01360	1.1
85.02956	4.7
89.02454	8.6
98.19881	2.3
99.00854	1.4
101.02445	7.1
113.02441	4.9
115.07687	1.2
119.03502	4.2
125.02453	2.2
125.06175	1.1
125.18996	1.1
125.62680	1.3
130.53458	1.0
137.02437	1.6
143.03473	1.9
161.41296	1.0
167.91158	1.0
171.10295	1.2
181.12346	4.4
197.17757	1.1
223.96042	1.2
273.17014	1.6
296.13614	1.5
322.50644	1.1
361.18732	23.2
362.19113	2.8
403.27319	5.5
421.20615	12.9
421.27988	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	2.2
57.03447	3.2
58.00598	2.0
58.30269	0.8
59.01387	58.1
60.01727	1.6
63.77336	0.8
69.03439	1.7
69.56245	2.7
69.56659	3.0
71.01391	36.1
71.05030	10.8
72.99319	2.5
73.02959	8.3
74.52054	0.9
75.80669	0.8
80.02711	1.2
81.03468	1.5
81.61705	1.0
83.01415	2.4
85.02959	11.4
87.00884	1.1
87.10661	0.8
89.02453	31.3
95.01402	2.6
95.05021	0.8
95.81415	1.0
96.96024	1.5
97.02970	2.9
97.06606	3.5
98.03761	13.2
99.00877	1.5
99.04535	5.6
99.08164	1.6
101.02454	22.8
110.02502	2.1
113.02463	11.6
113.06069	1.2
119.03519	13.0
123.08183	17.1
124.08504	1.2
125.06087	3.7
125.09737	1.9
127.05117	1.9
129.01987	0.9
131.03537	1.0
135.04538	1.1
136.07724	1.0
137.09717	1.9
141.09238	42.8
142.09564	1.9
143.03513	1.7
143.07130	1.4
143.10791	35.3
144.11142	1.9
145.06221	1.1
149.02412	1.4
149.04515	0.9
149.06078	2.9
153.09164	1.7
161.04558	4.8
163.07687	0.9
164.08443	1.7
165.05652	1.3
165.09264	2.8
167.10774	5.0
171.10301	1.1
179.05594	3.0
179.08337	1.6
179.10791	26.3
180.11107	1.3
184.97032	0.9
185.11847	5.1
195.06615	1.3
197.11899	1.3
199.09773	2.8
205.12389	1.7
208.00206	1.0
223.13411	2.4
228.81705	1.1
241.14478	17.0
242.14893	1.3
259.15509	19.5
260.15811	2.4
292.70212	1.0
361.14670	1.8
386.13831	2.3
421.20831	100.0
422.21234	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	421.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02401	0.5
65.00336	1.0
68.99812	0.8
70.76217	1.1
73.87056	0.5
91.47908	0.5
107.05024	0.7
109.06615	1.0
119.05043	9.5
120.05428	0.7
133.06589	2.5
134.33055	0.5
135.08163	0.8
173.06088	0.8
175.00359	0.8
175.07651	0.9
176.01279	1.2
185.06161	0.6
186.03159	1.0
187.04024	0.6
189.01956	2.1
189.05571	1.1
199.07672	0.8
201.01923	1.9
201.05658	3.2
203.07153	0.8
204.07916	1.4
215.07132	0.7
216.07819	0.5
217.08806	0.5
218.05809	0.7
219.13910	1.9
229.05064	1.9
229.08727	2.6
231.06725	2.3
232.07458	1.5
237.20055	0.5
243.06635	4.6
243.10260	0.9
243.13927	1.3
244.07492	1.3
245.08162	0.9
245.11763	0.6
257.08249	3.4
259.13528	0.6
271.13419	0.8
279.10077	0.6
287.12924	6.4
289.03302	0.6
309.10974	0.6
313.14426	1.0
323.09344	0.9
351.12283	0.9
359.23227	0.6
363.12357	3.2
364.13068	0.7
379.19098	2.6
421.20239	100.0
422.20587	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	421.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	1.6
70.54802	3.0
83.71028	1.2
91.37727	1.0
98.20014	1.3
111.73108	1.2
119.05046	75.7
120.05370	3.3
121.02928	1.4
132.35100	1.0
145.02890	1.2
146.12828	1.0
147.04572	1.8
149.02507	1.6
162.03371	1.8
165.01988	2.2
171.04640	1.7
185.06117	7.5
185.09756	2.5
189.09213	2.9
213.05598	1.9
227.07201	1.8
228.08031	2.6
229.08722	4.7
230.09120	1.2
241.08809	1.7
242.09453	2.5
247.09839	1.8
255.17532	2.5
263.07205	1.2
274.08643	4.0
275.40829	1.0
289.54150	1.1
293.08295	5.2
305.08234	17.6
306.08487	2.5
321.14957	3.6
333.11450	1.3
347.12918	2.6
348.13840	3.4
363.16049	100.0
364.16422	11.7
403.19049	1.8
421.20319	89.1
422.20612	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	421.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
62.05104	0.6
69.52502	2.9
73.73141	0.5
75.97108	0.5
93.03479	0.9
117.03471	1.9
119.05038	28.5
123.37843	0.5
135.04526	1.2
145.02937	0.9
170.07384	0.9
171.04597	0.6
171.08156	1.0
173.06091	0.5
175.07674	1.1
185.06168	0.6
185.09705	0.7
187.07664	0.9
189.09198	2.0
199.07716	1.1
210.10620	0.5
213.05655	0.8
213.09224	0.7
215.07143	1.1
225.05455	0.6
225.13010	0.7
227.07222	1.1
228.07858	2.5
229.08673	1.7
229.12312	0.5
241.08659	0.9
242.09537	0.9
255.06609	0.7
260.06873	0.6
265.05069	6.5
269.11850	1.8
274.08475	1.0
279.06702	3.6
279.09473	0.8
291.06702	1.7
291.10126	0.7
293.08249	1.5
305.08240	2.2
305.11676	0.7
307.09723	1.5
309.30920	0.5
319.09805	1.1
321.14902	0.7
326.07751	0.7
333.11172	2.7
334.12152	3.0
345.11334	1.7
347.12939	1.6
348.13803	0.8
349.14465	26.1
350.14816	3.1
350.18524	0.6
351.16049	0.8
361.18152	0.6
363.12604	0.8
363.16092	14.3
364.16293	2.5
403.19141	10.7
404.19507	2.0
421.20261	100.0
422.20609	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	421.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00893	0.8
61.95065	0.6
63.13769	0.7
65.00330	8.6
68.99826	0.9
69.48759	4.8
72.73215	0.7
89.00336	3.1
91.01900	2.3
97.02958	5.8
103.42657	0.7
108.75700	0.8
119.05036	7.5
121.02953	2.8
129.72089	0.7
133.06613	0.8
145.06592	1.1
149.99573	2.5
165.01944	58.9
166.02237	1.6
179.24326	0.8
200.12061	6.3
201.01959	0.7
206.09587	0.9
217.08766	0.8
229.15968	6.6
232.11055	11.9
232.13181	1.5
233.11519	1.0
243.06627	1.2
255.17555	63.9
256.17877	6.8
260.31161	0.8
281.15536	0.8
287.12979	2.4
309.07681	1.0
309.73325	0.8
351.16037	1.7
375.39847	0.9
421.20236	100.0
422.20627	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	421.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
63.85243	0.4
65.00326	2.6
68.99830	1.3
69.24943	0.7
69.25358	2.5
73.32876	0.3
83.01398	0.6
91.01921	0.6
91.03767	0.3
91.79711	0.3
93.03461	0.7
97.02979	1.2
99.36085	0.4
107.05054	0.5
109.02844	0.4
109.06599	1.7
117.03499	0.7
119.05038	24.0
120.05366	0.8
121.02987	1.0
128.46782	0.3
131.08690	0.6
132.05836	0.9
133.06618	2.5
135.04506	1.1
135.08131	0.4
145.02940	1.1
149.06111	0.5
149.99597	0.6
152.99567	0.4
157.06584	0.6
159.04507	1.0
161.02521	0.6
161.06111	0.5
164.01257	0.4
164.04871	1.1
165.01936	7.6
173.06099	0.7
174.03223	0.4
175.00404	1.3
175.07651	1.0
176.01237	0.9
177.05647	0.4
185.02560	0.4
185.06087	0.9
186.03265	1.7
187.04044	0.8
187.07718	1.0
187.11284	3.2
189.01939	1.5
189.05614	0.9
189.09215	0.7
190.06357	1.1
199.07651	1.8
200.08438	0.6
200.12067	1.3
201.01988	1.5
201.05571	4.4
201.09169	0.6
202.06261	0.4
203.03493	0.7
203.07176	1.1
205.05078	1.0
207.06445	0.4
213.09210	0.7
215.07109	0.9
216.07866	0.7
217.05099	0.6
217.08630	1.0
217.12338	0.5
218.05804	1.1
219.13899	1.4
227.07057	0.6
228.07983	0.4
229.05116	1.6
229.08685	3.4
229.16057	0.8
231.06609	1.5
232.11067	2.0
233.04584	2.6
241.05042	0.5
242.09430	0.4
243.06648	3.9
243.13940	1.2
244.07317	1.2
245.08232	0.8
255.17557	8.8
256.17938	0.9
257.08237	3.8
257.11789	0.8
259.13214	0.7
269.11813	0.6
271.13425	0.8
285.11673	0.4
287.12906	5.6
288.13266	0.8
293.08282	0.6
300.13708	0.7
305.08099	0.8
309.07730	1.3
309.11072	0.5
335.09155	0.5
335.13110	0.4
347.12915	1.0
351.12357	0.8
363.12308	2.2
363.16113	3.5
364.12405	0.5
364.16528	0.6
365.14075	0.4
379.19373	0.5
389.17612	0.5
391.19186	2.9
393.20886	0.4
403.19196	1.3
406.18042	0.5
421.20273	100.0
422.20670	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	421.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58853	0.3
59.01404	0.3
61.81349	0.4
71.01472	0.7
71.01815	0.8
82.09946	0.4
93.03439	0.4
107.05036	0.5
119.05043	48.8
120.05364	2.0
121.02940	0.4
143.05022	0.6
145.02989	2.1
159.04500	0.7
163.07753	0.4
171.08185	0.4
173.06131	0.4
175.04028	0.6
177.05679	0.5
177.09270	0.6
185.06088	0.7
187.07771	0.6
187.11295	1.4
189.05655	0.4
191.07256	0.8
198.10652	0.4
199.07655	2.5
201.05661	0.6
201.09201	0.4
213.05612	0.8
213.09264	3.6
213.12881	1.5
215.07158	0.9
217.12344	1.5
227.07159	1.8
227.10817	0.5
228.11649	0.9
229.08736	1.2
229.12361	0.7
241.08775	0.9
243.10414	0.7
247.13380	0.5
255.10320	0.9
256.11130	0.9
257.11850	1.9
269.11786	1.9
270.12555	0.9
275.12958	0.8
287.12955	1.5
289.12430	0.5
302.11783	1.0
307.09805	1.1
321.11316	2.1
333.11301	2.6
334.11899	0.6
335.12891	1.0
337.14624	0.7
339.15973	0.7
347.12973	4.8
348.13074	0.6
349.14398	0.8
349.18213	0.9
351.12344	1.2
361.14340	0.6
363.12408	1.2
375.15988	0.8
389.17770	2.3
390.18173	0.5
391.19220	16.7
392.19547	2.3
403.19281	2.2
404.19269	0.6
406.17886	0.9
421.20276	100.0
422.20691	14.2
422.26514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18624	0.2
59.01396	0.3
65.00333	20.3
66.00648	0.4
68.99810	0.4
71.54396	0.2
72.29497	0.2
83.01435	0.3
89.00343	4.9
91.01913	3.8
93.03431	0.3
95.13552	0.2
97.02962	14.2
98.03309	0.5
107.01399	0.4
107.05047	0.5
108.02186	0.5
115.45743	0.2
119.05037	2.4
121.02975	6.3
122.03287	0.3
124.01698	0.6
136.01707	0.4
136.87740	0.2
139.04030	0.5
145.06631	1.6
147.04550	0.5
149.99609	5.7
151.00345	0.7
164.01190	0.8
165.01952	82.8
166.02292	3.8
174.10483	1.1
179.03514	0.8
183.03044	1.1
185.09732	0.5
185.52972	0.2
186.74358	0.3
191.03528	0.7
196.00157	0.6
199.11383	0.4
200.12088	13.1
201.09238	0.3
201.12442	1.3
202.10089	0.4
203.10916	0.2
206.09529	1.8
229.16002	9.4
230.16389	0.9
232.11067	25.6
233.11420	1.9
255.17572	100.0
256.17911	11.8
257.15503	0.8
281.15366	1.4
305.08203	0.3
309.07672	0.3
319.10260	0.3
339.15796	0.4
352.13077	0.7
363.12195	0.4
363.16016	1.2
366.69305	0.2
403.19241	0.3
421.20276	91.7
422.20609	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	421.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23170	0.3
60.35949	0.3
61.98868	0.3
71.02071	0.6
93.03501	0.7
102.71416	0.3
107.46313	0.2
110.03853	0.3
117.87686	0.4
119.05045	47.1
120.05370	2.1
121.02956	0.4
133.06514	0.3
144.45557	0.3
145.02986	2.6
157.06598	0.6
159.04654	0.3
163.07820	0.3
171.08202	0.4
172.08865	0.4
173.06075	0.5
176.08582	0.3
177.05617	0.3
185.06097	1.3
187.04005	0.4
187.07732	0.5
188.08490	0.3
189.05568	0.5
191.07178	0.8
197.06111	0.4
199.07695	1.2
201.05608	0.7
203.07211	0.4
209.06036	0.4
209.09641	0.5
211.07468	0.5
213.05684	0.8
213.09161	1.5
213.12785	0.3
215.07208	1.0
216.07950	0.4
217.12297	0.7
223.07619	0.6
225.05638	0.5
225.09308	0.5
225.12915	0.6
227.07190	1.0
227.10770	0.5
229.08800	0.9
229.12334	0.8
230.09566	0.4
231.13948	0.5
239.10915	0.5
241.08760	0.5
241.12376	0.9
243.06548	0.4
243.10295	1.7
243.13927	0.4
247.13377	0.6
255.10289	0.6
256.11041	0.7
257.11871	1.3
267.10336	0.6
269.11786	2.9
270.12509	0.8
279.10242	0.3
281.11816	0.4
283.13486	0.9
286.12070	0.6
287.12979	2.2
289.58932	0.3
291.10229	0.5
292.07614	0.4
298.05606	0.3
302.11642	0.4
306.96167	0.3
307.09821	1.2
321.11490	0.6
333.11356	1.8
335.12988	1.8
336.13470	0.4
337.14523	0.6
339.15051	0.7
345.11520	1.1
347.12891	3.2
348.13409	0.5
349.14383	0.5
349.18234	0.9
361.14590	0.5
363.12418	2.7
375.15991	0.6
376.16940	0.5
379.19293	0.5
389.17609	3.7
390.18219	0.7
391.19208	6.3
392.19672	0.6
403.19333	2.4
404.19730	0.5
406.18127	0.3
421.20273	100.0
422.20618	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	421.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05016	0.6
55.24058	0.6
59.01380	0.8
71.54198	1.0
91.43663	0.8
93.03445	1.6
95.01367	0.7
119.05041	100.0
120.05374	3.7
121.03006	0.8
130.04283	1.0
135.04494	0.7
136.01678	3.3
138.03194	0.6
143.05040	1.7
144.05795	1.2
145.02986	7.6
145.06615	2.0
149.17468	0.6
151.00462	1.1
154.37804	0.6
158.92162	0.6
159.04544	1.7
161.02499	1.3
162.03229	0.8
165.01945	0.8
168.94250	0.7
169.06537	1.0
187.03998	6.0
188.04802	4.3
194.02185	1.2
201.05544	0.8
207.08299	0.6
225.13011	1.4
227.14331	0.9
234.05377	1.0
255.17532	0.7
267.06686	2.8
269.11801	1.5
271.13409	2.6
279.06705	3.9
289.14676	1.3
293.08307	1.0
301.11029	1.3
301.14432	12.5
302.14685	1.0
307.09753	2.4
319.15573	12.1
320.15924	1.3
391.19467	1.2
421.20364	86.6
422.20688	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	421.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50962	13.9
56.98227	13.9
57.18213	12.6
59.01377	59.1
66.23895	13.8
69.76216	55.9
71.01396	14.4
74.00578	12.3
78.93005	14.6
79.63479	16.1
85.02972	34.2
85.04079	24.0
87.05625	13.2
96.96049	20.9
101.02440	23.9
128.03561	35.2
146.08276	74.4
157.06236	20.3
190.02788	33.4
205.05023	47.8
223.06105	22.5
277.12314	100.0
323.09174	46.9
331.49347	15.3
348.89218	14.7
421.16748	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.164
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
59.01387	100.0
69.47987	22.5
71.01382	44.1
71.76843	27.4
85.02946	38.1
89.02517	33.5
101.02461	58.0
144.72630	28.7
229.43280	33.1
284.13281	28.5
288.82849	29.1
341.64703	29.6
351.99771	28.2
421.16336	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1659
Annotation	Lupinifolinol
Peak:m/z	Relative Intensity
57.03439	7.5
59.01356	2.8
63.02382	2.2
65.00347	4.1
69.89046	9.1
72.26180	1.7
83.01405	3.0
87.82722	1.7
91.01886	2.7
93.03469	33.3
106.04260	2.0
107.01402	4.2
111.13152	1.5
119.05042	100.0
120.05375	4.4
121.02954	3.5
125.02511	1.9
130.04225	2.1
133.03027	3.5
135.00897	2.1
135.04541	20.3
143.04971	2.6
145.06546	2.6
151.00410	16.2
159.08223	2.4
161.02409	4.6
165.01950	1.9
177.01913	2.2
203.07159	5.2
211.46640	1.7
227.14442	3.8
241.16077	2.8
245.15457	2.4
253.05028	2.7
257.11835	4.0
269.15521	7.7
271.13409	20.6
275.12961	2.8
285.11398	3.0
289.14539	21.8
290.14929	2.6
299.12909	34.9
300.13205	3.8
323.09314	7.2
326.12708	2.0
327.12314	8.6
363.12442	11.3
364.12561	1.8
377.17542	22.5
378.18143	2.8
393.17078	11.5
421.16537	83.2
422.16998	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	421.1662
Annotation	Orientanol C
Peak:m/z	Relative Intensity
53.87218	0.4
56.02076	0.4
59.01384	1.0
59.28893	0.4
61.61820	0.4
64.33237	0.5
65.00336	2.1
67.01975	0.4
68.99828	1.4
69.22755	2.3
69.23180	2.0
83.01382	0.8
91.01960	0.5
93.03476	1.5
98.76276	0.5
105.07120	1.1
107.05074	0.9
109.06602	0.9
115.05515	1.1
117.03448	0.8
118.04288	0.5
119.05043	100.0
120.05372	4.3
123.00912	0.6
131.01439	0.5
131.05037	3.6
132.05840	3.3
133.02997	0.8
133.06613	9.6
135.04503	0.5
141.13089	0.5
141.38225	0.4
143.05022	1.0
147.04546	0.6
159.04526	1.2
161.02415	1.1
161.06133	1.4
163.00369	0.6
165.05606	0.7
175.00374	1.2
175.04005	2.1
176.04819	1.1
177.05626	0.7
177.45920	0.4
177.70805	0.4
178.06366	0.4
179.07164	2.7
187.04013	1.3
189.01950	1.3
189.05573	1.9
190.06334	0.9
201.09331	0.6
201.42795	0.5
203.03522	2.1
204.04205	2.3
205.05081	16.6
206.05553	0.7
208.03854	0.5
217.05078	1.8
218.05832	0.6
219.06612	1.2
232.03778	4.4
233.04558	7.6
233.11806	1.9
234.04901	0.7
243.06673	0.5
245.15565	0.5
246.05292	1.3
249.32423	0.4
253.05167	0.7
257.11862	1.5
296.03433	0.7
296.10309	0.8
297.03986	2.1
301.10791	2.1
309.04047	8.6
310.04514	0.7
323.05499	1.1
324.10010	2.0
325.10788	8.5
326.11115	1.2
336.26163	0.4
352.09546	26.8
353.09921	3.6
365.10382	1.3
377.10391	1.5
378.10956	0.7
406.71097	0.6
421.16492	52.7
422.16846	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	421.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07506	1.1
55.01883	1.6
57.03445	4.9
58.00613	1.2
59.01122	1.8
59.01386	27.0
66.55000	1.1
68.99829	1.7
69.03460	1.3
69.77541	5.3
71.01387	24.9
72.99311	6.0
73.02938	3.6
75.00888	15.7
78.95934	1.5
83.01399	1.4
85.02958	28.8
85.04061	1.3
86.03309	1.4
87.00881	8.4
89.02457	8.7
91.03998	1.4
93.03450	1.6
95.01395	4.3
96.96031	6.5
96.96991	1.2
99.00893	7.9
101.02428	4.3
103.00418	1.4
107.05008	1.9
109.05904	1.8
109.06607	22.0
113.02465	25.8
115.00401	2.5
117.01964	2.1
117.39571	1.0
117.57910	1.0
125.02442	2.3
127.07667	71.3
128.03532	1.7
128.07999	3.6
129.01947	3.6
135.04501	1.9
141.09499	1.1
147.03040	1.6
149.02444	1.2
149.44962	1.2
150.03201	1.7
153.05629	5.8
157.01425	1.1
157.61295	1.2
162.05576	1.2
165.14722	1.4
171.06593	6.3
175.02422	2.0
190.02733	2.6
191.01993	1.6
197.11848	1.4
199.09857	1.1
205.05052	3.9
208.99190	4.2
245.10362	5.6
249.06161	18.1
259.06073	3.9
267.07263	28.6
268.07455	1.6
283.10745	1.7
287.10538	1.7
323.09613	2.0
359.13376	4.8
403.12250	3.9
421.13492	100.0
422.13907	11.1
424.61795	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.0
57.03462	11.9
59.01391	11.1
66.07956	1.2
68.99817	1.2
69.71837	2.7
69.72249	2.6
71.01387	9.9
72.30203	0.9
72.99312	5.1
75.00883	1.7
78.95900	1.8
81.02596	1.0
83.01392	3.0
84.02174	3.4
85.02960	100.0
86.03288	3.1
87.00867	1.8
89.02450	3.0
93.03469	2.3
96.96027	3.4
99.00876	1.5
103.00397	1.4
115.00450	1.1
120.01248	3.2
121.02943	7.0
123.00900	1.8
123.04528	2.8
125.02427	1.1
129.01953	4.7
133.01433	4.1
137.02461	4.1
139.03998	3.0
147.03018	9.6
149.02469	4.8
151.04103	1.5
158.73784	0.9
161.04497	1.1
167.03484	4.7
168.92323	1.0
191.00266	1.9
191.01994	34.2
192.02338	1.8
193.01381	2.0
193.47925	1.1
194.02119	1.1
209.03044	44.1
229.03552	1.3
370.60620	1.0
421.07053	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	421.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17773	1.1
58.83430	0.9
63.02412	9.0
65.00332	17.8
70.06506	1.1
71.01274	3.0
80.91702	2.0
83.01396	12.4
106.04261	2.5
107.01405	25.9
119.05035	14.3
132.05821	13.6
151.00381	74.2
152.00717	2.6
161.09726	6.2
164.04829	5.2
165.01923	3.9
169.01468	1.7
177.01971	5.6
187.11296	47.3
188.11604	4.2
213.09215	1.7
253.12303	1.1
255.10178	2.0
301.10754	2.1
339.12381	100.0
340.12744	13.9
361.10464	7.3
379.10593	2.6
421.11514	5.5
421.16620	11.0
422.16922	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	8.5
59.01365	1.3
60.79584	1.2
63.02400	3.9
65.00332	10.4
69.80683	3.1
69.81094	4.3
70.46835	1.2
80.91693	1.7
83.01391	4.5
93.03468	7.3
107.01397	6.0
109.06647	2.0
119.05043	70.5
120.05388	3.0
131.08626	2.3
133.02991	1.9
133.06602	18.2
137.02496	1.5
145.03079	2.2
147.08189	1.5
149.06078	1.9
151.00386	21.8
151.07674	7.5
173.06149	1.6
175.07628	5.8
176.01169	5.6
177.01891	2.8
185.27220	1.3
187.04024	2.6
191.07150	2.4
213.77766	1.2
219.06641	50.6
219.08800	2.8
220.06914	4.4
227.10829	1.8
233.08241	5.2
240.75232	1.5
241.16197	1.9
245.08150	2.9
269.15497	8.3
295.13303	1.7
304.73428	1.5
339.12378	100.0
340.12704	13.0
351.12311	2.9
361.10703	3.8
363.12415	4.4
378.46341	1.4
379.10440	1.8
421.11475	7.6
421.16531	37.8
422.11481	2.9
422.16898	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64959	6.0
57.03467	5.7
59.01387	100.0
63.60125	5.1
64.86803	4.5
71.01389	48.9
71.54267	7.9
71.89083	4.9
72.99326	12.6
73.02959	17.4
75.00881	31.3
83.01391	8.2
85.02959	39.6
87.00894	12.3
89.02460	33.6
95.01403	7.2
95.95891	5.6
99.00902	14.8
101.02469	17.4
106.10086	4.6
113.02453	51.9
119.03448	7.7
119.05042	5.8
125.02483	7.3
132.80312	5.4
132.86360	5.0
135.11833	20.6
137.02448	10.8
140.30325	5.7
140.59183	5.2
141.09285	11.9
150.03253	14.0
161.09708	14.4
163.04034	9.9
165.01854	7.6
165.05513	11.1
169.08743	8.8
171.10300	34.1
171.60509	5.5
179.10797	94.3
180.11076	9.0
185.11880	5.8
201.11334	18.7
223.09810	96.7
233.12051	6.7
241.33835	6.0
250.33090	6.7
296.13785	36.9
296.63812	15.3
298.14398	5.3
302.20361	6.0
325.20328	8.3
340.57718	5.2
343.21304	21.4
367.12021	6.3
385.14914	8.0
421.16779	44.5
421.67044	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	420.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	7.5
59.86709	0.3
61.98837	100.0
71.01386	0.9
71.55206	0.5
89.02474	0.3
91.42385	0.3
92.62978	0.3
92.77141	0.3
101.02466	0.5
113.02467	0.4
147.04402	0.3
148.01332	0.3
151.07664	0.9
162.95442	0.3
179.10738	0.4
195.06653	5.1
195.08372	0.4
223.09782	0.6
357.11954	0.8
361.18643	1.7
421.20984	1.0
421.28180	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1815
Annotation	Dehydrodecodine
Peak:m/z	Relative Intensity
59.01384	3.2
69.20271	16.6
69.20612	2.3
71.01385	9.1
71.38476	1.7
75.61018	1.3
79.62022	1.4
82.03002	7.7
84.04544	1.8
85.04083	53.7
86.02500	2.5
86.04411	1.6
87.05643	16.0
88.04055	9.4
109.04085	3.8
110.58757	1.7
111.02026	1.9
113.03600	4.5
127.05166	6.0
128.03560	100.0
129.03905	4.2
133.06950	15.9
135.05661	7.7
152.08311	11.1
153.06691	5.4
157.06209	60.9
158.06569	3.0
159.07722	3.6
170.09343	2.1
178.06271	9.3
179.04623	16.0
184.04906	5.6
185.05637	2.1
196.07289	16.9
197.05705	2.3
224.10474	3.5
242.11490	2.0
268.09399	21.5
286.10495	41.3
287.11032	2.6
291.13922	4.1
322.09018	6.2
380.19449	1.7
402.17279	9.6
420.18155	99.3
421.18439	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	420.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45109	1.0
59.01366	1.2
61.98835	1.4
63.58056	1.1
66.03458	1.3
69.48868	8.6
71.01392	10.5
82.03005	8.5
85.04087	54.6
86.02496	4.1
87.05650	15.3
88.04047	9.3
88.05981	1.2
88.75571	1.2
98.19911	2.2
107.06034	1.2
109.04059	3.3
111.02038	3.1
113.03588	4.4
121.04072	1.2
127.05142	6.7
128.03557	99.4
129.03888	3.2
131.05322	1.3
133.06950	19.3
134.07295	1.2
135.05669	9.2
136.06004	1.2
152.08308	10.8
153.06680	5.7
157.06204	68.8
158.06636	3.0
159.07773	5.5
178.06218	9.5
179.04662	13.7
184.04889	5.2
185.05591	2.2
196.07275	21.9
197.05717	2.1
197.07527	1.5
214.08311	2.4
224.10507	2.5
242.11504	2.4
268.09460	17.2
269.09933	1.3
278.13583	1.1
286.10455	39.4
287.10818	3.6
288.57892	1.3
291.13904	3.8
312.13904	2.5
316.32025	1.4
322.08859	8.8
348.15909	1.6
402.16907	11.3
403.17645	1.2
420.18130	100.0
421.18588	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	419.221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	18.4
71.53588	6.4
71.54073	6.9
78.95900	6.0
80.50147	4.8
93.03480	9.6
95.40051	6.1
97.06590	5.3
135.00905	18.3
145.96387	4.8
163.00378	100.0
187.11333	6.1
200.12071	5.0
231.06668	7.7
232.11115	10.0
248.70256	4.9
255.17619	48.5
337.10773	37.9
363.78854	5.6
410.62326	5.4
419.18747	48.7
420.18893	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	419.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52526	0.8
59.01385	76.5
61.98830	1.1
70.05174	0.9
70.08178	2.2
70.08572	2.5
71.01385	1.2
75.00880	1.0
83.18221	0.9
87.04522	100.0
88.04828	2.1
98.20588	1.1
101.02463	4.6
108.14552	1.4
111.04539	1.2
119.04988	0.9
131.49280	0.8
162.20667	0.9
185.02396	1.0
186.03217	7.7
187.03769	1.0
201.05624	5.7
201.28716	0.9
210.68983	1.0
220.39073	0.9
255.06575	1.1
261.07700	3.7
272.31641	0.9
294.93332	1.0
315.12369	1.1
331.08270	1.5
419.08295	1.5
419.13235	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	419.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66172	0.9
57.30370	0.9
58.07208	1.0
59.01388	100.0
60.01726	1.6
69.46179	2.1
69.46581	6.2
71.01394	9.0
72.45838	1.0
72.99277	1.4
75.00886	1.4
82.54265	0.9
83.01373	1.4
85.02977	3.7
87.04534	21.3
89.02424	2.3
100.16014	1.1
101.02453	8.4
103.00384	1.4
108.11469	1.0
110.91561	1.2
111.00895	1.3
113.02443	1.7
116.26553	1.0
119.03544	1.1
141.28813	1.1
186.03262	9.5
201.05528	7.0
212.04761	1.2
239.20093	2.5
249.65404	1.1
255.06625	1.3
257.21341	5.4
258.21567	1.3
261.07730	4.8
271.06293	1.9
292.40924	1.1
331.08078	1.4
385.80884	1.2
419.13824	8.8
419.26553	45.5
420.13925	1.2
420.26794	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	419.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.1
57.03461	1.5
58.00599	3.2
59.01386	100.0
69.03464	1.3
69.64477	5.3
71.01389	62.2
72.01721	0.9
72.99329	2.8
73.02953	18.8
75.00871	1.5
75.90843	0.7
83.01406	3.9
85.02964	9.1
87.00883	2.3
89.02455	95.7
90.02793	2.3
95.01404	1.8
97.02951	2.7
99.00891	26.6
99.08129	0.8
101.02454	39.5
113.02446	13.3
115.04033	2.2
119.03504	7.2
125.02476	6.6
131.03514	16.5
143.03494	2.2
149.04570	48.5
150.04915	1.0
158.97908	0.7
161.04613	5.1
179.05624	2.0
191.05629	13.8
221.06818	1.1
231.06874	1.0
251.07764	2.7
257.08298	2.3
257.17642	2.8
317.16129	3.1
380.20782	0.8
419.13516	1.7
419.23230	21.7
420.23157	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	419.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89812	12.5
59.01383	35.8
61.52663	11.8
61.98845	100.0
67.34142	13.4
71.54089	12.8
71.54459	15.6
87.09445	14.0
87.15810	13.0
88.03506	12.3
96.15852	15.5
119.05029	37.9
121.02979	52.5
163.00401	20.7
191.42355	14.1
259.52383	12.1
293.07983	14.9
403.86191	15.0
420.27298	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89812	12.5
59.01383	35.8
61.52663	11.8
61.98845	100.0
67.34142	13.4
71.54089	12.8
71.54459	15.6
87.09445	14.0
87.15810	13.0
88.03506	12.3
96.15852	15.5
119.05029	37.9
121.02979	52.5
163.00401	20.7
191.42355	14.1
259.52383	12.1
293.07983	14.9
403.86191	15.0
420.27298	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.9
65.00320	1.0
79.05518	1.1
91.35054	0.8
92.95369	0.7
93.03482	1.2
107.05032	1.3
109.06585	1.4
113.63324	0.8
119.05045	15.3
131.05070	1.4
133.06625	3.1
145.03053	1.1
159.04497	1.7
186.03157	4.1
187.04034	1.7
188.04771	1.7
194.56024	0.9
201.05600	4.6
205.04993	1.1
209.28854	0.9
215.07182	1.1
217.12332	1.7
225.09271	1.0
227.07162	2.8
229.05127	2.3
240.56543	0.8
241.05119	0.9
241.12363	2.8
243.06578	1.8
253.12401	0.9
255.06589	2.2
257.11816	0.9
267.13873	1.0
283.09784	1.0
284.10632	1.8
285.11295	8.9
361.10840	2.0
375.19693	1.3
389.64981	0.9
419.18683	100.0
420.19031	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	419.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.1
57.03461	1.5
58.00599	3.2
59.01386	100.0
69.03464	1.3
69.64477	5.3
71.01389	62.2
72.01721	0.9
72.99329	2.8
73.02953	18.8
75.00871	1.5
75.90843	0.7
83.01406	3.9
85.02964	9.1
87.00883	2.3
89.02455	95.7
90.02793	2.3
95.01404	1.8
97.02951	2.7
99.00891	26.6
99.08129	0.8
101.02454	39.5
113.02446	13.3
115.04033	2.2
119.03504	7.2
125.02476	6.6
131.03514	16.5
143.03494	2.2
149.04570	48.5
150.04915	1.0
158.97908	0.7
161.04613	5.1
179.05624	2.0
191.05629	13.8
221.06818	1.1
231.06874	1.0
251.07764	2.7
257.08298	2.3
257.17642	2.8
317.16129	3.1
380.20782	0.8
419.13516	1.7
419.23230	21.7
420.23157	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	419.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88070	0.4
64.03197	0.4
66.54522	0.4
71.54591	0.4
71.54975	0.4
78.95901	1.1
80.53150	0.4
107.44901	0.4
119.05041	35.6
120.05372	1.9
121.02982	1.2
136.01668	1.5
145.02951	1.2
148.01717	0.5
152.99600	1.2
159.04524	1.7
159.08154	1.9
161.02473	1.3
163.07640	0.7
176.08435	0.5
187.04071	1.9
187.11293	0.5
201.05569	2.0
202.06418	1.9
203.07170	3.1
216.07919	1.2
217.08266	0.5
221.08127	1.1
235.07678	0.5
248.06837	2.2
253.90869	0.4
267.06552	3.6
268.06836	0.4
279.06647	10.9
280.06921	1.0
282.08844	0.4
293.07947	0.4
295.13507	1.7
307.09943	0.6
319.04617	0.9
321.11295	0.5
322.12094	1.9
337.14471	100.0
338.14844	11.9
364.95990	0.5
419.13617	1.8
420.13507	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.148
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	1.1
69.37960	3.1
69.38380	2.2
73.13925	0.6
74.91256	0.7
98.19960	1.4
101.94746	0.7
106.72450	0.7
119.05042	40.0
120.05412	1.8
123.00937	0.8
136.01697	1.3
137.02226	0.6
138.02817	0.8
145.02911	1.0
152.99553	1.3
159.04544	2.0
159.08221	1.9
161.02408	0.8
163.07690	0.8
174.85216	0.8
187.04015	3.4
201.05560	2.3
202.06339	2.3
203.07123	3.1
216.07828	1.0
221.08267	1.1
248.06917	2.3
267.06723	4.6
279.06671	10.8
280.06619	0.9
282.08997	1.0
295.13483	1.6
296.78738	0.7
321.11469	0.8
322.12039	1.9
337.14481	100.0
338.14838	11.7
419.13531	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1868
Annotation	Khonklonginol G
Peak:m/z	Relative Intensity
59.01366	0.8
65.00327	1.4
68.99826	0.7
69.21574	0.6
69.21976	2.4
79.05149	0.3
79.05532	2.1
81.89165	0.3
83.01392	0.4
93.03470	1.1
95.01416	0.3
103.05544	1.0
105.07095	0.8
107.05037	2.1
108.02200	0.3
108.29060	0.3
109.06602	1.2
117.03464	0.9
119.05039	17.3
120.05396	0.9
120.62942	0.3
122.80997	0.3
129.07071	0.7
131.05013	1.6
133.06596	4.9
135.00919	0.4
136.01669	0.8
136.98758	0.3
143.05077	0.6
145.02986	1.1
149.06091	0.5
151.00360	1.0
157.06543	0.7
159.04544	1.8
161.06174	0.7
163.00391	0.6
165.01924	1.0
171.04550	0.5
172.05377	0.6
173.06046	0.9
175.03998	0.5
175.07663	0.9
183.04509	0.8
185.02461	0.7
185.06113	0.9
186.03209	4.2
187.03987	1.5
187.07645	0.6
188.04767	1.4
189.05380	0.4
197.06079	0.7
197.13393	0.6
198.10616	0.3
199.07652	0.9
201.05600	4.4
202.06207	0.4
203.03441	0.4
203.07129	1.3
205.05116	0.6
211.07555	0.4
213.05527	0.7
213.09213	0.5
214.06366	0.4
215.03587	0.8
215.07159	1.2
217.12338	2.6
225.09198	0.5
226.10338	0.4
227.07178	2.7
227.10788	1.1
229.05006	1.9
229.12314	0.4
230.05682	0.5
237.09140	0.5
239.10674	0.9
241.05075	1.4
241.08772	1.0
241.12363	3.7
242.05779	0.5
243.06589	1.4
243.10262	0.6
249.09146	0.7
253.16025	1.0
255.06615	1.9
255.10316	1.0
257.11850	1.5
267.13879	0.7
269.08310	0.5
269.11768	0.5
270.12540	0.5
277.21912	0.3
283.09808	1.1
284.10611	1.2
285.11325	9.5
286.11740	0.9
291.10272	0.7
297.11429	1.1
298.12036	1.3
305.11929	0.9
307.09674	0.5
317.12064	0.5
322.08371	0.4
330.11002	0.6
349.10904	0.8
359.16599	0.4
361.10822	1.8
375.19626	0.8
377.17767	0.5
389.13635	0.5
391.19135	0.7
401.17993	0.3
403.15335	0.5
404.16470	0.7
419.18658	100.0
420.19061	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	419.0776
Annotation	8'-Hydroxy-3-methoxy isodiospyrin
Peak:m/z	Relative Intensity
52.52545	0.5
59.01334	2.5
65.00325	4.1
67.55269	0.4
71.54688	0.4
89.00341	11.4
101.02438	0.5
103.01901	2.5
107.01361	1.2
108.02182	27.3
109.03008	0.6
117.02699	0.7
117.03471	8.9
119.01348	0.7
119.04976	0.5
123.04537	9.7
131.01411	12.6
132.99229	1.0
151.00381	0.9
155.05069	0.7
159.04478	1.9
161.02408	0.5
167.04997	1.3
175.00377	17.8
175.07611	0.8
176.00694	1.4
176.98306	10.7
183.04514	3.9
185.02458	7.3
186.03217	3.8
187.03665	0.6
189.40108	0.6
195.04564	3.5
197.02417	1.0
201.05580	2.4
207.04495	1.9
209.02461	1.3
211.03999	1.6
223.03983	4.6
225.01939	1.7
227.03523	7.1
239.03481	1.5
242.02197	1.9
251.03438	6.8
253.01419	5.3
256.06885	0.5
257.04401	0.7
261.07645	1.3
267.02927	2.5
268.03809	0.9
269.04568	1.4
279.06430	0.6
295.02484	100.0
296.02835	10.3
307.06125	1.0
313.03632	1.2
315.12512	0.9
319.06436	1.2
351.05130	0.6
359.11459	1.4
375.05045	1.1
386.97595	0.5
387.10696	2.9
387.77237	0.5
388.11359	0.5
391.04709	0.7
404.05273	2.4
419.07837	78.6
419.12900	2.9
420.08127	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1354
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
51.71537	0.5
57.03451	0.5
59.01385	10.0
61.98829	0.7
65.03960	0.8
70.48177	1.1
70.48505	0.6
71.01395	5.8
72.33566	0.4
72.61880	0.5
73.00841	0.5
73.02946	1.4
79.05930	0.5
80.62979	0.5
82.46964	0.4
83.01396	0.9
83.05032	1.1
85.02957	3.1
89.02458	2.6
93.03472	5.2
99.00851	0.6
101.02442	3.7
106.04255	9.9
107.05041	24.0
108.02168	3.5
108.05425	0.5
109.02934	0.8
113.02447	2.0
119.03539	1.1
119.05033	3.2
121.02976	3.2
138.03239	1.2
150.03253	1.0
151.04004	4.8
161.04608	0.5
171.08194	0.8
175.45627	0.4
211.07652	9.3
213.09224	67.2
214.09598	6.3
231.40521	0.5
257.08237	10.2
258.08603	1.1
329.23416	0.5
359.20685	0.6
401.25455	0.5
419.13495	100.0
419.22723	2.7
420.13824	13.5
428.84479	0.6
436.61603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34814	0.8
57.03430	0.8
58.50202	0.8
59.01387	14.0
61.98838	51.1
69.25690	1.4
69.26093	5.5
71.01376	3.3
72.01762	0.7
73.02950	0.9
79.05557	2.2
81.03466	1.2
85.02951	3.5
89.02441	2.3
91.05527	0.8
93.03466	7.6
101.02455	0.9
105.03464	4.8
107.05022	1.8
109.02962	1.9
113.02435	1.5
119.05033	2.9
121.02890	0.9
121.06631	5.3
123.04539	15.6
123.81121	0.8
125.02463	1.1
133.06618	1.2
134.03732	1.8
135.04535	2.5
137.02481	1.1
147.04523	3.2
149.02448	8.6
149.06026	1.4
150.03177	1.3
151.00406	1.0
151.04037	13.6
161.06067	0.8
163.03992	9.2
165.01906	1.6
165.05592	57.6
166.00935	3.3
166.05901	2.5
167.03485	2.2
175.04021	2.3
177.05598	16.6
178.05891	1.1
179.03494	1.3
180.04321	0.9
181.05101	1.2
189.05504	0.8
190.02676	1.1
191.03462	1.5
193.05080	90.3
194.05426	4.5
195.06598	3.6
197.11717	1.8
205.05090	19.7
206.05475	1.2
207.06642	1.9
217.05121	0.8
223.06151	19.0
225.07578	1.0
231.01309	0.9
235.06136	1.7
240.47009	0.8
249.06035	1.0
269.08411	1.3
299.09277	100.0
300.09641	9.6
311.09216	2.5
329.10364	29.5
330.10577	3.6
333.04443	8.1
341.10245	3.0
347.07974	0.9
359.11148	1.1
371.11279	1.5
419.13702	6.2
420.13705	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49009	0.4
54.92809	0.4
55.01881	1.3
57.03453	1.7
57.79440	0.5
58.00599	4.3
59.01386	100.0
60.01740	0.9
69.35577	2.2
69.36008	2.0
70.07683	0.5
71.01389	60.0
72.01731	1.1
72.99326	3.3
73.02935	2.3
78.70474	0.5
83.01392	2.5
83.48872	0.4
85.02963	10.8
87.00870	2.8
89.02455	76.3
90.02790	1.5
91.01884	0.4
93.15911	0.5
95.01403	3.5
96.01710	0.4
97.02996	0.5
99.00898	0.8
101.02459	32.3
102.02789	0.7
113.02461	23.4
114.02779	1.1
119.03516	29.8
119.04951	1.5
120.34250	0.5
125.02479	0.7
131.03511	4.0
143.03517	4.3
149.04498	1.9
157.27643	0.5
161.04573	4.3
162.70180	0.5
174.73593	0.5
179.05624	8.4
180.05843	0.6
193.12183	0.9
237.14879	1.0
255.06467	1.5
271.33075	0.4
357.17963	1.0
393.58972	0.6
417.20679	2.8
417.25699	5.3
418.25586	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17016	2.0
59.01393	20.7
61.98837	100.0
65.56278	1.9
65.85272	2.0
71.54116	3.1
84.82551	2.3
87.04504	12.9
101.02449	3.0
105.83099	2.2
112.98649	2.3
113.02492	3.0
125.09691	2.7
149.88965	2.3
179.31656	2.3
182.02129	2.6
185.02571	2.5
186.03261	8.5
201.05597	9.0
212.04749	3.0
261.07666	5.6
313.95270	2.2
387.10840	7.5
389.19705	3.0
417.24847	4.2
418.25009	6.3
419.13379	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	418.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82007	1.3
59.01376	1.1
60.07666	1.0
62.14713	1.0
71.01383	7.3
71.45392	1.8
82.02996	4.6
85.04082	37.8
86.02518	1.5
87.05643	10.4
88.04079	6.3
102.00196	5.9
109.04083	2.9
111.02036	1.9
119.02876	3.7
127.05137	9.7
128.03557	76.4
129.03931	1.5
135.05688	5.0
145.06195	2.9
152.08299	4.6
153.06731	3.8
157.06200	49.9
158.06580	1.9
159.07719	3.1
166.06265	5.2
174.02309	15.4
178.06195	3.2
179.04643	7.3
184.04918	2.7
184.07295	4.0
191.04955	3.7
196.07298	11.8
197.05699	2.0
197.07605	1.0
214.08351	2.6
224.10376	1.8
242.11472	2.5
248.07141	1.1
268.09506	7.2
286.10458	22.6
302.08136	6.9
320.09222	100.0
321.09561	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	417.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	4.8
57.03450	4.4
58.00608	3.4
59.01385	75.6
60.01725	0.6
66.04086	0.5
69.03460	1.3
71.01388	100.0
71.55022	0.9
71.67693	0.5
72.01725	2.2
72.99322	4.4
73.02954	20.8
75.00886	2.0
81.03461	0.5
83.01392	9.7
85.02961	37.4
86.03284	0.7
87.00875	5.2
87.04533	2.0
89.02452	50.8
90.02775	1.2
91.61470	0.5
95.01401	6.3
95.37224	0.5
96.01725	0.6
97.02966	1.6
99.00889	8.6
99.75427	0.5
101.02451	69.5
102.02786	1.9
106.48204	0.5
111.00911	0.8
112.01729	0.5
113.02460	40.0
114.02821	1.2
119.03518	24.5
119.04914	1.1
120.03812	0.6
125.02449	2.7
128.03519	0.5
129.01955	1.2
131.03487	3.3
137.02492	1.2
143.03502	6.0
149.04578	1.9
151.00389	1.2
151.43958	0.5
159.03018	7.3
161.04570	37.8
162.04941	1.1
179.05621	8.6
205.03592	1.3
255.19714	2.9
257.77692	0.5
271.06036	1.0
328.69733	0.5
417.24930	26.1
418.25259	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	417.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36263	0.6
53.96435	0.6
55.42659	0.6
59.01389	100.0
60.01730	1.0
71.01408	1.6
75.71887	0.5
89.02465	1.1
96.75628	0.5
101.02483	1.4
111.08157	1.1
113.02483	1.4
118.36052	0.5
125.09749	1.0
173.08241	0.7
187.09761	0.6
193.15985	2.6
211.17076	7.1
237.15094	0.7
245.57425	0.5
255.16058	9.4
256.16537	0.8
305.99112	0.6
381.13397	0.6
417.21326	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2499
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
50.77106	0.5
55.01874	4.6
57.03456	4.4
58.00596	4.3
59.01384	82.9
60.01721	1.2
68.99823	0.6
69.03473	1.0
71.01388	100.0
72.01717	1.6
72.45708	0.6
72.99315	5.6
73.02955	19.8
75.00886	1.9
81.03489	0.6
83.01392	11.5
85.02959	32.8
86.03315	1.5
87.00886	5.6
87.04525	2.0
89.02451	61.8
90.02824	0.6
95.01395	6.2
97.02981	1.6
99.00892	9.5
99.32596	0.6
101.02452	69.0
102.02792	2.1
108.02182	1.6
111.00905	0.8
112.01711	0.7
113.02461	40.4
114.02792	1.2
115.04090	0.7
119.03511	25.8
125.02471	2.1
129.01990	1.7
131.03532	3.4
134.51083	0.5
137.02475	0.7
141.09258	1.0
143.03545	6.2
149.04582	2.3
152.01189	0.9
153.09285	0.5
156.26376	0.5
159.02991	6.0
161.04564	34.1
162.04921	1.5
168.00624	1.1
179.05638	9.8
180.60112	0.6
183.13902	1.1
184.56532	0.6
191.01970	0.9
201.11354	1.4
205.03539	1.0
255.16963	0.7
255.19647	4.9
263.20142	1.0
299.88751	0.6
325.20367	2.2
343.21381	4.7
344.21649	1.1
399.23444	0.7
399.48328	0.6
417.11475	1.2
417.19989	1.3
417.25052	24.6
418.25342	3.2
443.97406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05577	0.5
59.01376	1.4
66.47443	0.6
69.64009	0.6
69.64146	1.0
69.64548	2.8
71.01380	2.3
73.02940	0.8
76.12967	0.5
76.57066	0.4
83.29508	0.6
85.02956	1.5
92.33881	0.6
95.01418	1.2
98.20613	1.3
103.97350	0.5
106.27518	0.5
108.02184	57.7
109.02979	25.4
110.03324	1.0
123.00870	0.9
123.04538	0.9
151.04030	2.5
152.01166	96.0
153.01566	5.0
155.11240	0.5
163.04042	2.1
165.97269	0.6
179.03487	0.9
207.03056	0.7
230.40074	0.5
241.07224	4.3
261.24997	0.6
267.05026	0.6
285.06097	1.1
316.17044	0.6
417.10413	100.0
418.10706	12.0
428.44919	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
57.03442	3.8
58.00586	2.4
59.01387	98.7
60.01731	1.7
64.68706	1.2
71.01392	40.1
71.54421	1.9
72.99298	3.0
73.02966	10.4
75.00857	1.6
83.01407	9.0
83.05019	1.5
85.02962	18.8
87.00886	2.1
88.04055	1.8
89.01944	2.5
89.02460	31.9
91.01894	1.6
95.01395	3.5
99.00887	3.1
101.02453	26.7
108.02222	2.0
110.70806	1.2
113.02484	14.3
113.60746	1.2
119.03506	9.2
119.05025	3.8
125.02454	1.9
129.02072	1.3
131.03494	2.1
135.00880	4.2
143.03493	1.8
147.11826	2.5
148.01663	3.7
149.13326	5.6
150.31664	1.1
151.00394	2.3
153.01906	1.8
159.02995	1.4
161.04543	4.8
166.02754	3.5
171.10255	3.5
179.05679	1.5
180.00688	1.6
181.05063	5.5
193.12350	9.8
193.15935	1.5
211.13419	8.0
217.88084	1.5
237.14984	14.4
254.05862	1.9
255.06708	8.5
255.12425	21.0
255.16107	2.2
286.07080	1.3
297.03937	2.0
327.04965	2.1
329.06418	1.2
343.21338	2.0
357.19110	2.4
417.21222	100.0
418.21674	14.6
429.64764	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91853	7.3
57.64870	8.2
59.01385	41.0
61.98835	100.0
63.57809	8.6
63.64753	8.1
66.93548	8.1
69.48875	61.5
98.20641	14.7
103.18045	10.2
106.04167	8.9
125.62209	8.5
353.13968	12.8
416.10580	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	417.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99141	0.5
57.12307	0.5
59.01383	2.6
66.14447	0.5
71.01384	3.2
71.52921	0.9
73.02941	0.9
75.00875	2.1
78.95926	1.4
81.60018	0.5
85.02963	2.3
87.00909	0.7
89.02462	1.0
95.01387	1.1
99.00903	0.7
107.00739	0.6
108.02187	59.6
109.02989	24.1
110.03292	0.9
110.98568	0.9
123.00885	0.9
124.76109	0.6
125.02473	2.2
128.15512	0.5
129.74927	0.6
135.04498	0.8
151.04042	1.9
152.01170	100.0
153.01634	3.9
163.04025	1.9
179.03506	1.2
241.07147	3.7
285.06332	0.9
295.39929	0.6
305.06686	2.7
306.07254	0.8
358.97446	0.7
373.11591	0.7
417.10428	87.6
418.10849	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	417.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37643	0.6
59.01390	0.7
59.10832	0.5
71.01379	2.0
71.20183	1.3
73.02954	1.4
76.42569	0.6
82.96398	0.5
85.02993	1.3
87.72982	0.6
95.01409	0.7
108.02188	59.2
109.02995	22.6
110.03246	0.6
123.00913	1.1
128.03596	0.6
151.04077	2.9
152.01167	100.0
153.01668	4.0
163.04034	2.1
223.00903	0.5
241.07158	3.0
242.80701	0.6
246.54097	0.6
246.63571	0.6
285.06107	1.2
417.10419	96.0
418.10748	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	415.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10554	1.0
50.96574	0.8
53.69962	0.9
59.01386	100.0
59.78158	0.9
65.51788	0.9
69.36210	8.1
71.01388	8.8
71.84992	1.0
73.02953	9.3
83.01406	3.4
85.02953	3.8
89.02451	4.1
101.02452	9.1
113.02489	4.9
119.03526	0.9
139.79089	0.9
148.20708	0.9
149.89073	1.1
161.04550	2.0
171.12135	1.0
185.96706	0.9
283.22311	0.9
392.42224	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62630	1.2
51.67170	1.0
59.01388	100.0
70.85529	2.8
71.01392	7.3
73.02921	1.7
85.02951	3.6
89.02453	5.8
101.02457	6.9
113.02500	5.2
119.03536	1.3
129.00153	1.2
152.61647	1.1
161.04510	2.3
179.05673	1.5
181.24667	1.0
241.89357	1.0
247.77138	1.0
377.34756	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.2
56.60909	0.7
57.03461	1.1
58.00605	0.7
59.01388	100.0
60.01734	1.4
69.03448	0.7
69.34266	6.4
71.01392	25.4
71.01788	1.5
72.99323	1.0
73.02956	32.8
74.03281	1.1
83.01399	8.9
85.02973	7.5
87.00935	1.1
89.02462	6.8
95.01431	1.6
100.74895	0.8
101.02457	27.8
113.02463	7.4
119.03532	3.1
125.02485	2.1
125.03370	0.7
131.03540	1.8
138.35959	0.7
143.03543	1.8
147.26292	0.9
149.04562	1.1
155.03455	0.8
157.08752	3.0
161.04596	6.1
179.05766	0.9
193.12338	3.7
201.11267	1.0
211.13550	0.9
222.43869	0.7
237.45534	0.8
257.14307	0.9
355.17734	1.3
373.18686	4.4
373.22623	1.7
415.19556	10.2
416.20023	1.1
417.67670	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06557	2.5
59.01385	100.0
78.71964	3.3
79.65718	2.9
81.00845	2.9
84.74046	2.5
107.05045	3.4
109.81025	2.4
110.70814	2.7
135.04544	29.1
140.13258	3.7
170.63493	3.0
203.90147	2.7
210.85492	4.0
246.27399	2.9
279.23386	2.8
323.72891	2.7
415.32254	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	416.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88455	3.0
54.75868	3.0
55.94262	3.0
59.01386	17.7
61.98838	100.0
64.87695	2.7
68.66066	2.9
71.54636	5.4
73.86605	3.1
79.75370	2.9
89.72773	3.1
104.50842	2.8
108.81889	3.3
165.01947	10.2
165.20828	2.9
187.11313	8.4
235.83498	2.9
353.13840	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	415.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.2
56.60909	0.7
57.03461	1.1
58.00605	0.7
59.01388	100.0
60.01734	1.4
69.03448	0.7
69.34266	6.4
71.01392	25.4
71.01788	1.5
72.99323	1.0
73.02956	32.8
74.03281	1.1
83.01399	8.9
85.02973	7.5
87.00935	1.1
89.02462	6.8
95.01431	1.6
100.74895	0.8
101.02457	27.8
113.02463	7.4
119.03532	3.1
125.02485	2.1
125.03370	0.7
131.03540	1.8
138.35959	0.7
143.03543	1.8
147.26292	0.9
149.04562	1.1
155.03455	0.8
157.08752	3.0
161.04596	6.1
179.05766	0.9
193.12338	3.7
201.11267	1.0
211.13550	0.9
222.43869	0.7
237.45534	0.8
257.14307	0.9
355.17734	1.3
373.18686	4.4
373.22623	1.7
415.19556	10.2
416.20023	1.1
417.67670	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	0.5
57.03432	0.4
59.01387	100.0
60.01732	0.9
61.65155	0.4
69.42671	3.3
71.01389	4.3
73.02975	1.3
83.01409	0.7
85.02957	2.6
89.02425	2.2
95.01385	0.6
101.02444	3.2
113.02451	2.1
119.03540	0.7
153.49776	0.4
161.04594	0.9
183.13956	1.7
215.12956	0.8
415.19144	0.6
415.23962	0.6
426.73010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24614	0.3
53.82471	0.3
57.03461	2.0
59.01387	100.0
60.01726	1.8
63.08772	0.3
63.61382	0.4
69.51767	0.4
69.93601	1.1
71.01392	7.4
72.99339	0.8
73.02951	2.1
75.00905	0.5
83.01426	1.2
84.02205	0.4
85.02962	12.8
85.03477	0.7
87.00877	0.5
89.02461	4.3
90.37981	0.4
95.01395	0.4
99.00888	0.4
100.53905	0.4
101.02455	5.0
110.00117	0.4
111.08202	0.5
113.02475	2.8
119.03531	1.7
119.05000	0.5
123.00928	0.6
125.02476	2.9
129.01958	1.2
142.05089	0.4
147.03040	1.0
151.00464	0.5
161.04616	1.7
163.00438	0.8
163.04027	0.8
191.02020	3.2
191.03554	0.5
206.05891	0.6
207.06715	0.7
207.10146	0.6
209.11751	0.5
234.05342	2.1
235.06134	1.3
236.07024	0.4
253.05183	0.4
253.10786	0.4
253.18173	0.6
277.07413	0.4
287.71918	0.4
372.12607	0.4
373.22562	1.3
400.11746	0.7
415.14249	5.0
415.23300	4.6
416.14618	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48405	0.5
56.91360	0.4
59.01382	2.6
65.36124	0.4
71.01405	0.4
71.09267	1.1
71.26143	0.5
74.71043	0.5
74.99104	5.5
77.00676	73.8
78.01010	0.9
85.61806	0.6
90.14296	0.5
99.04530	2.1
101.02464	2.2
112.51593	0.6
134.96768	0.4
137.04770	0.4
143.03529	1.0
147.08194	2.1
149.09746	1.8
161.04584	2.5
161.09744	1.0
163.11292	2.3
187.11354	2.5
195.68791	0.5
203.10849	0.6
265.12469	0.6
279.14001	0.9
279.26883	2.0
280.14636	1.5
307.17072	0.6
309.22314	2.4
323.25955	0.6
337.21759	100.0
338.22086	14.4
338.26251	0.6
341.26807	1.5
356.63721	0.6
415.23071	13.2
415.28732	0.8
416.23514	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	415.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
59.15610	0.6
59.95943	0.5
60.01727	0.8
61.98838	1.1
71.01388	3.0
71.54082	0.9
73.02927	0.8
83.01408	0.7
85.02962	2.6
87.59418	0.6
89.02494	2.0
95.05573	0.6
99.85413	0.6
101.02467	2.6
113.02423	1.3
117.84332	0.6
119.03538	0.8
121.02945	0.9
122.87440	0.6
151.00511	0.7
161.04601	1.6
163.42445	0.7
178.40401	0.6
178.99925	1.0
179.05640	0.9
212.88617	0.7
217.36185	0.6
232.03894	0.7
240.84886	0.7
327.66260	0.8
355.21198	3.1
415.14081	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1977
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01892	1.6
57.03460	2.2
58.00597	1.8
59.01388	100.0
60.01730	1.3
69.03458	1.7
71.01392	56.5
71.55427	0.7
71.55825	1.0
72.01740	1.1
72.99324	2.3
73.02957	71.4
75.00900	2.4
79.13059	0.6
81.03487	1.1
83.01402	20.9
85.02960	12.3
87.00904	2.0
87.04546	0.5
88.72930	0.5
89.02458	17.8
95.01406	1.5
97.02980	1.4
97.28582	0.5
99.00901	2.3
99.04561	1.0
101.02458	67.0
102.02828	1.0
111.00896	0.8
113.02467	16.2
119.03538	7.2
125.02463	3.0
131.03545	4.5
135.04631	0.6
143.03526	4.3
147.03017	0.7
149.04553	2.7
155.03551	2.1
161.04581	13.1
165.04120	1.3
175.11340	0.6
179.05656	1.0
187.70842	0.5
193.12355	9.3
203.05595	0.9
211.13370	0.9
253.10934	0.7
267.12454	2.7
345.95792	0.6
355.17795	3.3
369.13358	0.7
373.18726	9.9
374.18915	1.2
415.14609	1.2
415.19794	21.0
416.20139	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	415.1978
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01880	2.4
57.03444	1.1
58.00600	2.0
59.01385	100.0
60.01715	1.2
69.03452	1.3
69.39746	2.5
69.40141	0.8
71.01388	48.6
72.01734	0.6
72.99305	2.1
73.02953	82.8
74.03300	1.4
75.00885	1.0
81.03474	0.5
83.01395	23.3
84.01749	0.7
85.02953	6.7
87.00886	1.5
88.58513	0.3
89.02453	14.6
95.01392	2.1
97.02953	1.0
97.85810	0.3
99.00873	1.7
101.02453	65.1
102.02798	1.6
113.02463	14.0
114.02805	0.4
119.03510	5.9
125.02412	2.1
131.03503	4.2
132.39461	0.3
134.49594	0.4
143.03505	4.3
149.04575	3.6
154.17908	0.4
155.03511	2.0
161.04581	10.6
162.04886	0.5
172.30156	0.4
177.91718	0.3
179.05673	0.4
193.12357	9.4
194.12694	1.0
203.05679	0.6
207.79362	0.5
211.13464	1.1
221.06700	0.6
258.01404	0.4
315.07574	0.4
355.17596	3.1
356.18219	0.5
373.18674	10.0
374.19037	1.3
415.19754	20.2
416.20056	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13551	0.5
59.01388	6.9
62.90250	0.5
64.43195	0.6
69.34801	1.5
69.35223	3.4
71.01392	5.8
72.63026	0.6
73.02974	0.8
85.02964	2.6
89.02459	5.2
90.46549	0.5
91.05579	0.9
93.03468	2.1
95.05026	1.2
97.02969	0.7
97.06641	1.2
98.94772	0.6
101.02441	3.1
107.05028	0.6
109.02992	1.4
111.00933	0.9
111.08175	0.9
113.02470	3.1
113.09736	1.4
119.03515	1.8
121.02972	1.1
123.08309	0.6
125.06074	2.3
133.06592	0.7
135.04555	0.6
141.05602	0.6
149.09738	0.8
153.01978	0.7
161.04565	0.8
163.11340	5.0
165.05493	0.7
165.12865	60.8
166.13193	4.8
175.00397	1.2
175.07741	0.7
178.99861	2.2
179.05695	1.1
180.00699	1.3
186.03252	0.6
187.04016	0.6
187.11282	2.2
189.12860	5.3
191.10831	3.1
193.12347	1.4
201.05603	1.0
209.11850	67.1
210.12210	4.7
215.10825	1.7
223.13426	2.6
229.05042	0.6
233.11873	5.2
234.12254	0.8
235.09851	2.7
245.04466	0.8
249.27815	0.8
250.04999	1.0
251.13087	0.7
253.10846	100.0
254.11176	8.2
255.10252	1.0
256.03708	0.7
257.04514	1.0
267.12378	1.3
273.04276	0.9
284.03424	0.7
285.04114	2.1
286.01303	0.8
287.01865	3.1
295.11972	7.0
299.12735	0.9
301.03580	7.1
329.03046	1.9
330.03769	2.4
345.06238	1.1
388.62567	0.7
400.08109	1.5
415.10046	18.4
415.18219	0.9
416.10828	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	415.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45498	0.5
59.01368	2.0
65.00321	1.2
68.99825	3.5
71.54256	1.0
79.01904	0.6
83.01389	0.7
83.99250	0.6
91.01916	4.6
96.99297	1.0
108.02191	0.6
109.02958	1.0
110.00135	6.2
111.00948	0.8
123.00902	4.0
125.09744	1.0
133.06590	1.7
135.04539	2.4
135.08119	0.6
136.01683	1.1
137.02449	2.0
137.99580	5.8
139.00365	1.9
147.04532	0.9
149.02446	1.8
149.06154	0.7
150.03239	0.8
150.06837	0.7
150.39575	0.7
151.00400	6.9
152.01102	1.6
153.01979	1.5
163.00377	8.5
163.04021	12.1
164.00972	0.8
164.04379	0.8
165.01912	2.6
165.05486	0.6
165.99089	1.1
174.94177	0.6
177.01935	1.1
177.05588	3.9
178.06384	7.9
178.99890	3.5
179.01161	0.6
179.07118	3.0
181.01373	1.1
189.05516	1.0
190.99876	2.3
191.03497	6.2
192.03990	0.6
193.01398	3.9
193.05077	0.7
205.05075	3.0
206.05859	6.4
207.06644	11.8
208.07442	2.7
209.00949	1.3
215.03513	1.4
216.04251	1.4
217.05133	0.7
219.03050	1.6
219.06575	3.7
223.09825	1.3
233.04491	0.9
234.05363	50.3
235.06094	22.0
236.06863	5.3
237.07668	0.9
247.06183	1.1
248.06790	1.4
249.07516	0.8
263.05612	6.2
264.05795	1.0
277.07248	1.5
311.09421	1.0
323.09079	0.6
329.06622	1.1
341.10440	0.8
344.12854	1.1
356.12653	0.8
357.09796	0.6
367.08447	0.7
372.12122	9.0
373.12521	1.2
382.10889	1.4
383.11310	1.4
387.14661	1.3
397.13000	1.9
400.11823	6.2
401.12003	1.2
415.14011	100.0
416.14319	13.1
416.19577	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1616
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01892	1.3
56.99813	0.5
57.03454	1.8
58.00598	2.9
59.01387	72.3
60.01728	0.8
64.76154	0.5
69.03461	0.8
69.35743	2.6
69.36162	1.5
71.01392	56.2
72.01746	1.0
72.99312	3.3
73.02954	17.3
75.00871	0.9
82.52145	0.4
83.01397	2.7
85.02966	14.1
87.00896	1.6
89.02455	100.0
90.02781	1.9
92.74537	0.6
95.01380	1.5
97.02970	1.1
99.00893	28.7
100.01202	0.6
101.02457	34.5
102.02802	0.9
113.02456	11.5
115.04026	0.6
119.03515	7.6
120.96140	0.5
125.01836	0.4
125.02488	4.7
129.01970	0.6
131.03522	17.9
132.03902	0.6
137.34828	0.5
143.03455	1.6
147.03014	0.7
149.04578	59.1
150.04874	1.9
161.04587	3.0
179.05630	2.4
191.01984	1.5
191.05646	14.1
192.05835	0.6
221.06577	2.1
247.63361	0.6
251.07597	2.9
260.10043	0.5
283.11951	1.2
305.86206	0.5
325.03183	0.6
415.16287	7.4
416.16211	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51823	0.3
55.01867	0.5
58.52209	0.4
59.01114	0.4
59.01387	5.8
59.73465	0.3
69.24538	0.4
71.01396	2.6
71.09570	0.4
71.09903	0.8
73.02939	0.8
75.00889	0.4
77.03976	7.7
79.01903	3.8
81.03451	0.4
83.01387	0.6
85.02972	2.6
87.00854	0.4
87.02396	0.4
89.02446	1.8
93.03446	0.9
99.00915	0.3
101.02443	1.4
101.03970	0.6
105.03481	2.9
107.01385	1.1
113.02454	1.6
116.39024	0.3
117.03436	0.5
119.03552	0.4
119.05038	3.4
121.02177	0.6
121.02982	7.5
123.08163	0.4
133.02898	0.6
134.03767	0.4
143.05052	5.1
145.02971	5.2
149.02463	6.3
149.61342	0.4
157.06584	0.7
161.02440	1.3
161.04510	0.6
165.01933	0.7
173.13330	0.5
179.03532	0.6
180.05779	1.0
181.06573	1.1
187.04004	1.7
191.01892	0.4
193.06583	0.8
194.07347	0.4
195.08176	2.2
197.06113	0.7
199.07564	1.8
202.71231	0.4
208.05382	0.5
211.07724	0.4
211.87263	0.4
221.06091	0.9
222.06862	0.4
223.07658	6.0
224.04767	0.5
224.08121	0.5
225.05574	1.5
227.07098	0.9
237.05614	0.7
239.07156	0.9
251.07121	0.5
252.04327	0.9
253.05081	2.0
265.05124	1.3
266.05634	0.4
267.06641	84.6
268.06992	8.6
277.05048	2.7
278.05411	0.5
279.06598	0.6
293.04700	0.7
293.09378	0.4
295.06137	100.0
296.06467	10.2
298.04837	1.0
307.06158	3.3
325.07190	3.0
326.07477	0.5
337.07114	0.6
415.10391	67.5
416.10770	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	415.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63243	1.7
57.03432	2.2
57.94765	1.7
59.01377	6.8
61.98825	3.1
62.57738	1.8
68.02512	2.2
68.99839	4.5
71.01385	2.3
71.54097	2.2
85.02961	4.5
88.98804	1.9
89.02493	1.8
91.01910	10.1
96.99301	2.2
97.06577	2.3
99.00931	2.5
105.92290	1.8
110.00102	10.8
111.00899	2.5
115.23656	2.1
119.05023	10.6
120.05369	1.7
123.00861	9.3
123.08183	2.4
125.09731	7.8
133.06619	2.1
135.00893	2.5
135.04507	2.5
137.02490	5.7
137.99577	11.4
139.00394	6.5
147.04558	7.2
149.02426	3.5
149.06071	2.2
151.00383	13.6
153.01892	4.2
162.06880	1.9
163.00398	16.7
163.04019	18.2
165.01971	5.9
165.05510	2.0
165.29475	1.7
165.99055	2.4
171.10297	8.1
177.05586	4.8
178.06357	15.8
178.99913	7.2
179.07253	3.7
181.01418	2.9
181.08643	3.4
187.03958	2.7
187.09755	3.0
190.99867	4.0
191.03503	14.8
193.01454	4.4
205.05055	4.7
206.05853	10.9
207.06590	14.9
208.07404	9.6
209.00879	2.1
215.03545	2.1
216.04315	2.2
217.05196	2.6
218.64406	1.9
219.03032	2.0
219.06665	4.7
223.09796	11.1
233.04504	3.3
234.05367	72.1
235.06075	31.5
236.06905	23.4
237.07687	4.8
249.07712	4.4
263.05618	20.4
264.06155	1.9
277.07159	5.1
287.05679	3.1
325.20181	2.0
347.92841	2.0
356.12650	4.9
371.14868	2.7
372.12128	42.9
373.12589	4.9
387.14594	26.1
388.14828	3.3
400.11752	16.0
401.12097	2.1
415.14053	100.0
416.14487	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	413.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04473	0.5
59.01385	100.0
60.01732	1.1
60.33765	0.6
69.86695	2.7
71.01408	2.5
73.02983	1.8
85.02967	1.3
88.23924	0.6
89.02449	1.3
98.20608	0.9
101.02483	1.8
220.24948	0.7
293.04599	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63233	1.2
59.01387	100.0
64.68320	1.1
65.83536	1.2
68.98167	1.1
69.22231	13.1
74.53930	1.2
144.05824	1.2
155.66089	1.4
252.90265	1.8
270.10916	1.5
352.99777	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09980	1.7
59.01386	100.0
59.06611	1.8
61.22929	1.8
71.38075	2.0
71.38411	2.8
121.63006	1.8
213.71759	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	415.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60632	0.5
51.56839	0.5
55.01888	2.7
57.03458	13.9
59.01391	6.6
60.98323	0.5
65.05434	0.6
67.01899	1.2
70.98639	0.8
70.98981	1.0
71.01391	3.5
72.99320	1.9
75.00887	1.6
83.01398	2.0
84.02175	3.3
85.02962	100.0
86.03304	2.0
94.94630	0.5
101.02490	0.7
103.00385	2.0
108.02184	0.9
108.61427	0.5
111.00927	1.3
115.00386	1.1
121.02972	0.9
129.01970	6.8
133.01422	1.0
133.31311	0.6
141.62160	0.5
147.03017	11.8
149.02449	3.6
153.01976	0.6
164.04784	1.9
173.00858	1.0
191.01994	27.9
192.02316	1.2
209.03064	5.7
222.00832	0.6
223.06148	2.6
296.76678	0.5
301.80933	0.6
394.88660	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2187
Annotation	Tentoxin
Peak:m/z	Relative Intensity
52.50959	0.5
55.01871	0.8
57.03454	0.9
59.01387	100.0
59.60835	0.4
60.01727	1.3
68.64666	0.4
69.25430	4.2
71.01386	6.4
72.99324	0.5
73.02962	1.9
78.76105	0.4
83.01414	1.7
85.02963	4.1
89.02458	3.6
98.20684	0.9
101.02452	6.0
113.02468	2.9
117.03493	1.0
119.03526	1.4
119.05097	0.8
125.02463	0.7
156.98228	0.5
161.04649	0.8
165.01962	1.6
165.09229	0.8
173.02505	0.5
190.53995	0.4
209.08139	2.9
211.82222	0.5
228.08333	0.5
247.57040	0.5
293.04547	4.0
331.47827	0.5
334.50180	0.5
371.21011	1.1
413.08960	1.2
413.21832	11.1
414.22400	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	413.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32932	0.5
56.81247	0.4
59.01387	100.0
60.01730	1.4
62.48101	0.5
62.54446	0.4
68.18848	0.5
69.25858	0.4
70.69082	1.1
70.69416	0.9
71.01406	3.5
72.56060	0.5
73.02970	1.9
77.72107	0.6
83.01411	0.8
85.02988	2.4
89.02467	0.5
97.70771	0.4
99.04599	0.5
101.02464	2.6
113.02490	1.5
125.02496	0.6
126.03691	0.4
137.02507	0.8
140.21632	0.5
149.93628	0.4
161.04604	2.3
209.11961	0.7
371.20798	1.9
413.18042	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
57.03453	1.5
58.00597	0.3
58.35671	0.2
59.01387	100.0
60.01714	1.5
65.00316	0.3
71.01391	8.4
72.99327	0.5
73.02952	3.1
75.00898	0.5
81.03503	0.3
83.01397	2.0
85.02964	5.0
87.00893	0.6
89.02448	2.1
92.60441	0.3
95.01389	1.2
99.00916	1.2
101.02457	6.3
101.86926	0.3
113.02464	4.1
117.96172	0.3
119.03529	0.5
119.04960	0.3
121.02988	0.2
123.04550	0.3
125.01543	0.5
125.02458	9.1
125.06120	0.6
126.02810	0.3
137.09715	0.3
137.19710	0.2
143.03531	0.4
149.02446	0.6
151.00336	0.3
159.03036	0.5
161.04573	3.6
167.03506	0.4
204.04440	0.4
209.15489	1.6
232.33937	0.2
233.08199	1.9
251.09265	2.4
269.04568	0.6
293.04718	0.8
311.05530	0.2
326.97922	0.2
327.05103	0.4
353.19626	1.6
371.20755	6.9
372.21097	1.1
374.68652	0.2
413.08841	0.6
413.21924	1.5
413.62531	0.3
414.22516	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.6
59.01384	1.3
61.98833	0.2
63.02411	0.2
65.00317	0.7
69.92844	0.3
69.93238	0.3
71.01413	0.1
71.05000	0.1
81.03465	5.2
83.01396	1.4
83.94498	0.1
95.05054	0.1
97.02981	0.2
99.08148	1.0
101.02461	0.1
101.06110	0.9
107.01414	0.6
108.02219	0.1
109.02979	0.1
121.03051	0.2
121.06603	0.3
123.08176	2.8
124.01729	0.2
124.08451	0.2
125.02463	5.3
125.06097	5.3
126.02851	0.1
126.06470	0.2
135.04587	0.1
136.05339	0.6
137.06085	0.2
140.13548	0.1
141.09222	0.7
147.08183	1.0
149.02484	0.7
149.06139	0.2
150.06839	0.2
151.00377	1.2
152.01135	0.4
165.09224	25.0
166.09579	1.8
167.03508	0.2
167.07204	0.2
191.07153	1.7
205.08733	0.4
209.08209	100.0
210.08545	7.2
233.08247	0.6
251.09212	1.1
252.09378	0.2
413.14493	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19549	0.5
54.28864	0.4
55.01895	0.7
57.03477	0.9
59.01385	4.1
62.22537	0.4
68.99836	1.2
69.03482	1.2
70.99291	0.8
70.99622	0.7
71.01403	3.3
71.05042	0.6
73.02969	1.0
78.95941	1.8
79.01916	0.4
79.05536	1.1
80.02707	0.7
81.03465	6.3
81.26697	0.4
82.60274	0.4
83.01401	8.0
84.02190	0.5
85.02985	1.8
89.02473	1.3
93.03497	1.3
95.01414	1.4
95.05048	4.4
97.02959	2.4
99.00888	0.6
99.04565	1.5
99.08147	2.2
101.02464	1.2
101.06107	3.4
105.03532	0.5
107.01347	0.5
107.05061	1.7
108.02178	2.3
109.02976	3.4
109.06595	1.1
111.00889	0.8
111.04542	3.2
111.08182	0.5
113.02489	1.7
119.03562	0.5
119.05067	0.7
119.77468	0.5
121.02962	3.4
121.06626	0.9
122.03779	0.6
123.00904	1.0
123.04548	8.9
123.08217	1.2
124.01741	0.4
125.02464	9.6
125.03328	0.6
125.06101	13.1
125.92378	0.4
126.06446	0.7
127.07674	0.9
129.02026	0.4
134.03778	0.5
135.04550	1.2
135.08232	1.3
136.05313	1.2
137.02460	3.7
137.06104	2.9
137.09758	1.3
138.03236	0.5
139.04037	8.4
140.04338	0.5
141.09230	0.6
145.02977	0.5
145.10216	0.9
146.03825	0.6
147.04533	0.9
147.08127	0.5
149.02428	2.3
149.06120	1.0
149.09851	0.4
150.03163	0.6
151.04021	1.1
152.99626	2.3
153.05673	0.9
159.04538	0.6
160.05339	1.6
161.02463	0.9
161.06117	0.7
161.09732	0.8
163.04001	0.9
163.07697	0.7
163.11320	4.1
164.04858	1.4
164.08450	1.0
165.01938	2.6
165.05579	1.6
165.09219	9.4
165.10526	0.6
166.02725	1.3
167.03523	21.8
167.07149	0.6
168.03879	1.0
174.03249	1.0
175.04031	0.9
176.01097	0.4
176.04730	0.6
177.01965	1.1
177.09294	2.1
178.02733	0.7
179.03482	2.1
179.10844	3.4
180.79710	0.4
181.05122	1.1
181.08734	3.2
183.10289	1.2
189.09215	5.4
190.02745	1.1
190.09633	0.8
191.03554	1.2
191.07074	0.6
191.10764	0.6
193.08778	1.0
193.12369	0.7
197.04562	4.4
202.06273	0.5
203.03545	2.2
203.10835	1.3
204.04292	17.5
205.05054	8.8
205.08694	3.6
206.05434	0.6
206.09363	0.8
207.06863	2.7
207.10277	24.3
208.10652	1.6
209.04593	11.9
209.08177	6.3
210.04984	0.8
210.08580	0.7
218.05862	1.6
219.10309	1.1
221.04509	0.5
221.08258	1.6
221.11781	1.0
222.08815	0.7
223.09717	1.1
231.10281	1.7
233.08215	50.6
234.08560	4.3
235.09787	2.0
239.05629	2.9
247.09648	1.1
249.11299	1.4
251.09264	21.4
252.09573	2.4
263.09259	9.1
264.09659	0.8
265.10812	1.6
275.09271	3.3
277.10861	2.1
290.07837	0.7
291.08694	0.6
293.10352	100.0
294.10687	9.0
305.10321	2.7
323.11389	57.1
324.11731	6.6
335.11407	2.3
353.12503	0.9
377.12738	0.5
381.13419	0.7
395.13522	2.9
413.14523	8.6
414.14847	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92902	0.4
59.01386	5.2
65.03690	0.5
65.03976	5.7
67.01902	2.6
68.28122	0.5
71.01387	1.2
71.54452	0.6
72.17272	0.4
78.83241	0.3
79.05510	0.4
85.02966	1.0
89.02456	0.5
93.03487	0.5
101.02468	1.1
106.04261	0.4
107.05049	9.4
109.02967	100.0
110.03320	3.7
113.02460	0.9
113.09785	0.5
119.05017	0.9
120.01300	0.6
121.02955	0.6
123.04560	0.6
137.09776	1.3
149.09702	0.6
151.00339	0.9
152.15091	0.4
163.11311	2.7
163.93736	0.4
167.03482	0.6
177.12878	0.4
187.11206	0.5
193.12372	0.6
205.12364	6.2
206.12724	0.6
207.10283	25.2
208.10631	1.5
231.10266	0.8
249.11322	3.7
250.11839	0.4
251.09282	33.9
252.09602	2.5
293.10251	3.5
313.41470	0.4
314.04401	0.8
329.06732	0.5
371.20743	0.6
395.57214	0.5
413.12534	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	413.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75790	0.4
55.88111	0.4
57.03458	0.8
59.01389	7.8
62.74977	0.4
64.02396	0.5
65.00352	1.0
70.53653	1.5
71.01389	2.8
73.02965	0.5
81.03475	5.3
83.01389	2.0
85.02967	0.9
89.02448	0.7
96.63216	0.4
96.95996	0.6
97.02972	0.7
99.08155	1.1
101.02460	1.4
101.06120	1.1
107.01421	0.5
109.02965	0.4
113.02475	1.2
117.03458	2.5
119.03515	0.5
121.02973	0.8
123.08192	3.0
125.02470	8.5
125.06096	4.7
128.31593	0.5
135.04544	0.6
136.05333	1.0
147.08160	1.1
149.02457	1.3
150.66504	0.4
151.00368	1.2
161.02411	0.6
161.04643	0.6
163.04022	0.8
163.11305	0.5
165.01871	0.6
165.09227	25.2
166.09544	1.0
167.03520	1.1
167.07162	0.8
173.02443	0.9
175.00372	1.5
191.07173	1.2
205.08751	0.7
207.10242	0.6
209.08215	100.0
210.08502	7.0
221.08202	0.6
233.08206	2.5
235.09619	0.7
248.06953	0.6
251.09233	3.3
263.09244	1.3
275.09296	1.0
278.00900	0.7
293.04587	13.7
293.10046	0.7
294.04962	1.6
353.12454	7.8
354.12796	1.3
371.13440	0.5
413.08847	3.3
413.13730	1.0
413.21982	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41619	0.2
57.02229	0.3
57.03449	0.5
58.77055	0.2
59.01385	6.5
60.73544	0.2
65.00330	0.9
67.95490	0.2
69.03465	0.4
70.69027	0.6
71.01384	1.6
71.05016	0.4
79.93726	0.2
81.03461	6.0
83.01415	0.8
85.02972	0.7
86.78049	0.2
89.02451	0.5
93.03492	0.5
95.01414	0.3
95.05061	0.7
97.02966	0.8
98.33682	0.2
99.00938	0.3
99.08179	1.7
101.02465	0.7
101.06107	0.8
109.02961	0.4
113.02467	0.6
117.03484	0.2
119.05028	0.8
121.02951	0.7
121.06554	0.4
122.03745	0.5
123.04514	0.5
123.08164	2.6
125.02459	4.6
125.06091	6.3
126.39464	0.2
127.07663	0.4
135.04562	0.4
136.05302	0.8
137.02455	0.3
137.06137	0.2
139.04047	0.4
141.09206	0.8
147.08147	0.9
149.02438	1.3
150.06857	0.4
151.00352	1.2
152.01158	1.0
163.04079	0.3
165.09224	37.7
166.02628	0.3
166.09561	2.0
167.07133	0.4
175.00401	0.7
177.09286	0.3
179.07167	1.0
179.10704	0.2
191.07135	1.5
191.14363	0.2
193.08699	1.1
205.08698	1.3
207.13939	1.0
208.07408	0.6
209.08206	100.0
210.08539	6.9
215.07176	0.6
221.08163	1.0
222.08951	0.4
223.09781	3.2
224.10153	0.4
233.08205	22.5
234.08542	2.0
251.09265	11.0
251.12979	0.5
252.09602	0.8
263.09247	3.1
264.09631	0.5
274.24857	0.3
275.09329	0.6
293.04633	1.8
371.20679	0.7
395.13052	0.3
413.08838	0.5
413.14532	6.0
413.21753	0.7
414.14795	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1246
Annotation	Dulxanthone G
Peak:m/z	Relative Intensity
55.38610	0.5
59.01379	1.1
61.50642	0.6
67.66216	0.5
69.79615	3.0
83.76713	0.5
93.03491	0.5
96.96030	0.9
97.02994	0.5
104.28493	0.5
106.58458	0.5
111.72475	0.5
119.05054	1.0
121.02959	2.1
135.00908	1.2
136.01660	3.7
137.02457	2.9
148.01672	3.0
149.02496	1.1
153.05580	2.1
161.02470	1.0
163.00377	12.4
163.04008	2.9
164.01096	1.2
165.01936	1.2
169.44800	0.6
173.06119	0.7
176.01086	3.5
177.01897	1.0
178.02667	0.6
204.00647	2.6
207.10255	0.6
213.05441	0.7
217.05060	0.7
228.04306	0.7
239.03609	0.7
240.04324	4.5
241.04924	0.9
252.04347	1.3
256.03711	0.8
257.04602	1.5
268.03827	1.6
269.04639	0.7
284.03314	2.0
285.04071	26.4
286.04321	2.9
299.05664	12.5
299.09146	0.8
300.05847	0.8
312.02737	1.8
313.03568	37.5
314.03873	4.6
327.05106	41.1
328.05829	31.4
329.06152	3.2
337.07077	1.4
342.07535	0.8
343.08215	15.7
344.08459	1.7
365.02274	0.5
365.06497	2.6
373.87070	0.5
374.06427	4.1
380.08820	0.9
383.07849	0.7
395.11270	2.4
398.10104	2.0
413.12439	100.0
414.12720	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	413.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47903	2.1
69.48333	3.1
84.92152	0.7
93.03456	1.8
109.02959	3.9
121.02957	5.6
123.04503	0.8
124.04252	0.9
133.06625	1.7
135.06029	0.8
139.04024	5.4
147.00909	1.4
148.01688	1.0
148.31654	0.9
149.02475	9.9
161.06090	0.9
163.00366	0.9
163.04041	1.1
175.00388	10.0
175.04024	1.5
177.05594	2.8
179.07161	1.3
189.01929	2.3
189.05571	2.0
189.99101	3.1
190.99832	1.0
202.02647	0.9
202.99776	1.2
205.01404	2.7
205.05069	4.0
207.06596	1.4
217.05106	1.0
218.05818	1.4
227.03514	1.5
228.04309	1.1
230.02249	1.1
233.04526	5.2
234.05312	2.8
240.04189	0.8
242.02322	1.6
244.51978	0.8
245.04573	2.6
246.05225	1.7
247.06313	1.0
255.03123	1.1
256.03891	1.2
258.01752	1.4
276.59647	0.9
283.02557	0.9
283.09622	0.8
284.03143	1.3
286.01236	10.8
296.03381	1.4
299.01907	2.3
299.09491	1.4
300.02740	2.2
309.04181	0.9
311.01993	2.4
311.09293	2.1
312.02817	3.1
315.05188	0.9
327.05161	2.1
327.08722	2.2
330.14117	0.9
337.07269	1.4
339.08929	1.8
340.02261	1.7
343.04608	3.9
355.04495	6.3
355.08319	26.1
356.08588	3.7
372.05142	1.0
380.08975	1.3
383.07773	41.4
384.08179	4.6
397.09381	1.6
398.10074	41.7
399.10495	4.5
413.12473	100.0
414.12866	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	413.1094
Annotation	Asperuloside
Peak:m/z	Relative Intensity
50.52686	0.9
57.03454	7.6
58.77625	0.8
59.01386	11.2
71.01395	6.6
72.99310	4.2
75.00882	1.1
78.95930	1.2
81.80028	0.9
83.01431	1.7
85.02961	3.4
87.00875	1.3
89.02464	5.2
91.01900	1.2
93.03473	2.9
95.01387	1.3
99.04533	6.4
101.02447	5.5
103.00419	1.0
108.02188	2.1
109.02979	9.3
113.02449	4.6
116.67812	0.9
119.03526	1.4
119.05071	4.0
123.00909	2.0
125.02473	2.6
127.00369	1.3
127.05573	3.1
135.00900	5.7
135.08195	1.9
136.01721	2.1
137.02499	5.1
145.06587	2.1
147.04553	18.5
150.03236	4.4
152.99602	1.0
153.02042	1.5
161.04767	1.7
161.06081	12.4
163.00389	9.3
163.07666	2.1
165.05600	39.1
166.05914	1.9
179.07167	26.0
180.00633	1.5
180.07506	1.8
185.06152	0.9
189.05591	36.4
190.06064	1.4
191.03578	1.9
191.07166	4.2
195.06610	3.8
205.05090	2.7
207.06633	20.3
207.10072	1.3
208.07060	1.4
233.04561	1.9
233.84445	1.0
247.04605	5.5
369.11981	3.9
413.10956	100.0
414.11246	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	413.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76382	0.7
70.99431	1.4
71.04878	0.7
92.31718	0.6
108.02193	1.1
109.02946	2.2
112.03793	0.7
121.02990	0.9
122.92512	0.7
123.00946	1.4
147.00858	1.5
149.02451	1.9
149.30609	0.7
163.00314	0.7
163.03995	0.7
170.62029	0.7
175.00395	2.6
175.03954	0.7
176.01122	0.7
177.05563	1.1
186.20044	0.6
187.04141	0.7
189.05603	2.0
189.99149	1.3
190.06360	1.4
191.03445	0.7
191.07147	2.2
202.99849	6.2
204.00246	0.9
205.05070	5.6
214.02438	0.7
218.05794	1.0
219.06630	1.2
227.03462	1.1
228.04266	1.4
231.02948	1.0
233.04488	1.3
234.05342	2.0
240.04416	0.8
242.02313	0.8
243.02875	1.2
244.03856	0.7
245.04552	1.5
247.06129	0.8
256.03775	1.6
257.00958	1.0
258.01669	3.4
267.03098	0.9
268.03729	1.6
271.02530	1.2
272.03320	1.3
283.02509	2.2
284.03311	1.7
286.01282	8.7
287.01703	1.1
295.02444	1.2
296.06528	0.8
299.01968	3.1
300.02731	3.0
309.07449	0.8
310.08456	1.7
311.02005	2.2
311.09341	3.9
312.02914	3.4
313.03433	1.0
315.05167	2.5
326.07983	1.6
327.05124	18.8
327.08746	3.9
328.05484	1.9
337.07208	3.0
339.12405	1.1
340.02197	1.5
341.10623	0.8
343.04504	2.4
355.04480	2.6
355.08267	17.4
356.08630	2.0
369.09793	2.3
370.10635	2.5
383.07788	6.3
384.08081	0.8
397.09351	2.7
398.10068	32.9
399.10513	3.5
402.09488	1.8
403.09964	0.7
413.12448	100.0
414.12787	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	413.0884
Annotation	3'-Deoxyderhamnosylmaysin
Peak:m/z	Relative Intensity
59.01385	4.6
61.98835	7.3
65.00320	3.3
67.01895	0.9
70.08093	2.0
71.01393	0.9
78.95910	1.2
82.18128	0.7
85.02954	1.9
89.00340	5.6
89.02466	0.9
90.01122	0.8
93.03472	9.0
95.01395	1.7
105.70203	0.8
106.00613	4.5
108.02162	1.3
109.02965	2.1
119.05029	1.4
121.02977	31.7
122.03262	1.2
123.00870	2.7
130.08768	1.6
132.05838	4.2
134.00131	2.3
135.00890	4.9
135.04524	1.2
137.02467	2.6
137.06071	1.4
139.04031	2.1
148.01759	0.8
149.02443	3.9
149.99570	1.7
161.09758	1.5
161.99568	1.9
163.00330	1.4
163.83356	0.8
164.04871	4.4
164.05998	0.8
175.00316	0.8
177.01860	1.0
181.05051	0.8
187.11325	16.6
188.11684	1.4
192.04352	2.1
198.81920	0.7
213.09221	3.9
221.04645	5.6
229.12415	4.3
229.14293	0.8
230.02187	1.1
248.03273	61.9
249.03679	6.3
256.67728	0.8
261.04105	3.0
263.02917	1.7
263.05627	27.3
264.06021	2.7
282.88388	0.9
291.05106	4.7
293.04391	1.2
311.12857	2.3
325.07303	1.0
330.23892	0.8
342.07654	1.1
352.06039	1.3
353.06729	3.4
354.07507	2.2
355.11887	1.0
369.06284	1.7
369.17249	1.6
370.06876	2.5
398.06461	18.2
399.06628	2.9
413.08786	100.0
414.09070	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39206	1.1
52.48356	1.2
57.03445	2.5
59.01382	17.9
64.98326	1.1
68.99815	2.4
69.03436	1.1
69.07513	1.4
69.33649	3.7
69.34073	6.0
71.01020	1.5
71.01388	23.1
71.05022	1.1
72.99301	4.9
73.02944	1.8
75.00540	1.1
75.00880	12.8
82.02998	1.5
83.01371	1.4
85.02956	22.8
87.00874	8.1
89.02465	6.6
91.04009	1.5
93.03462	1.4
95.01376	4.1
99.00881	9.0
101.02425	1.5
103.00350	2.4
113.02469	33.0
115.00385	1.1
117.01898	2.6
117.03444	4.5
119.05045	35.7
120.05364	1.3
128.62830	1.1
129.01913	3.3
145.02966	15.5
147.04524	7.2
163.04030	34.1
165.05571	12.8
175.02574	1.7
189.05525	3.7
207.05136	1.4
221.97289	1.2
222.25665	1.4
237.07710	2.0
247.04469	2.1
249.06184	22.9
250.06505	1.2
267.07217	100.0
268.07516	5.5
280.13345	1.3
413.10739	48.3
414.11118	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	412.3438
Annotation	CHEBI:83244
Peak:m/z	Relative Intensity
52.81028	0.4
58.02983	15.4
61.98839	0.7
70.16887	0.7
70.17290	1.2
70.88410	0.4
72.27219	0.4
73.02956	6.8
73.27400	0.4
85.02957	1.3
86.66117	0.3
87.98888	0.3
99.04510	0.6
102.05622	100.0
103.05931	2.3
137.69043	0.4
144.06680	21.5
204.34923	0.4
238.92517	0.4
308.29715	0.6
371.31647	0.5
394.33316	0.7
412.34390	38.8
413.34726	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	411.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57926	0.8
55.01880	1.9
58.81620	1.0
59.01401	4.8
60.99309	4.0
64.40225	1.0
69.66885	6.0
71.05032	8.1
73.02968	2.3
76.46457	0.8
79.77823	0.8
84.04546	1.2
87.00418	1.2
87.00893	13.5
97.02942	2.0
98.20684	0.9
99.04536	100.0
100.04848	2.2
100.07672	1.0
102.05613	8.8
102.87250	1.0
108.60110	0.9
120.11869	0.8
125.02467	1.6
138.22369	0.9
144.06662	2.6
161.01260	0.8
184.29779	0.9
184.73428	1.1
267.26932	2.7
326.78000	1.0
339.32507	1.3
349.31247	5.8
350.31131	1.2
367.32361	7.7
372.42023	1.0
393.30154	1.3
411.31186	53.7
412.31503	6.6
412.34738	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	411.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69947	2.5
57.03448	3.0
62.29505	2.5
69.24669	24.6
73.50793	2.8
76.76396	2.6
81.03518	2.8
91.35152	2.3
94.21310	2.4
99.04531	49.7
107.68307	2.6
125.02448	12.1
140.58255	2.8
245.71471	3.1
267.26923	15.1
307.30313	3.0
367.32065	35.1
368.32617	3.2
411.31183	100.0
412.31451	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	412.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04137	1.0
55.01878	1.6
57.03455	11.5
59.01387	8.2
68.78165	1.0
69.25368	2.7
69.25771	8.5
71.01392	8.1
72.99307	3.4
73.02950	1.4
75.00906	1.4
83.01404	2.2
84.02194	3.4
85.02956	100.0
86.03291	1.5
88.40126	1.0
89.02489	3.0
89.28933	1.1
92.58684	1.1
93.41106	1.2
96.96015	2.6
96.96958	2.1
98.20609	2.2
101.02441	2.7
103.00363	1.7
107.04985	1.3
113.02450	2.0
121.02940	1.5
125.61395	1.4
129.01967	5.7
133.01427	1.4
135.04546	3.9
146.75450	1.1
147.02995	12.3
158.06023	2.4
161.04599	1.4
167.03505	1.5
188.03355	1.2
191.01996	42.9
192.02336	1.4
209.03058	23.7
220.06157	4.7
251.11314	1.4
334.89410	1.4
366.65701	1.4
412.08984	1.4
413.16220	1.5
432.77267	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28942	2.0
53.05424	2.1
59.01388	100.0
95.33501	1.9
107.25648	1.9
121.69442	2.1
141.90015	2.2
204.35455	2.1
358.41946	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
71.54658	2.6
94.27085	1.6
119.99780	1.5
168.71245	1.7
317.56622	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90899	0.7
57.14238	0.7
59.01387	100.0
59.41256	0.6
60.01749	0.8
61.98831	1.1
66.23792	0.7
69.21381	7.0
71.01397	3.3
73.02976	1.0
74.45947	0.7
78.95909	1.0
80.13361	0.8
85.02989	1.2
86.70846	0.7
89.02468	2.4
96.96065	1.3
96.96976	1.2
101.02456	1.5
113.02467	1.5
116.72314	0.7
140.71948	0.8
150.95679	0.7
222.24449	0.7
254.00377	0.7
255.03128	0.8
361.58127	0.9
397.73584	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10732	11.0
59.01383	100.0
59.52909	10.2
61.46748	10.4
69.48343	75.7
69.48760	20.7
71.01405	28.5
85.02961	15.0
89.02465	22.9
92.18112	11.9
92.90418	11.9
115.80666	10.4
119.03526	11.6
221.26599	10.8
222.05540	12.1
228.46906	12.4
256.00406	10.9
326.40930	11.8
411.21201	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	411.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38816	1.6
53.75958	1.7
59.01376	12.3
60.70872	1.8
61.98814	1.7
68.82111	1.9
69.39880	2.2
71.01414	2.1
71.05047	2.2
85.02966	2.2
87.00934	1.8
99.08163	7.8
109.02951	4.0
125.09711	4.8
127.11317	5.8
129.72420	2.1
139.11317	17.8
147.32991	1.9
153.09155	2.2
153.12865	2.4
157.12428	2.7
163.11244	2.0
165.12852	13.2
171.10281	25.6
172.10550	3.0
183.13853	2.6
193.08472	54.5
193.12311	2.9
205.12199	2.2
211.13428	19.1
213.09193	9.6
215.10661	2.1
221.11693	10.3
225.13304	2.8
229.14397	11.3
231.10007	7.9
233.11612	100.0
234.11952	6.8
249.11305	9.9
251.11470	20.2
251.12569	20.3
252.11687	2.8
320.99054	1.9
329.23337	75.6
330.23621	7.8
333.19373	2.4
339.17285	2.3
351.21497	77.2
352.22034	9.9
395.20810	3.5
411.18100	9.5
411.22794	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	411.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18507	1.4
53.28365	1.3
55.35295	1.3
57.03449	2.2
58.00603	3.0
59.01387	68.6
60.44316	1.2
71.01391	36.9
72.99320	2.6
73.02947	3.8
75.00878	1.7
77.21243	1.3
77.43962	1.4
78.95909	7.1
79.05559	2.2
81.07112	3.5
83.01409	2.8
83.05056	2.5
85.02958	12.7
87.00871	1.8
89.02451	32.5
95.01395	3.7
95.05014	2.3
98.19868	3.4
99.04527	4.1
99.08161	2.6
101.02457	14.0
103.73235	1.7
107.05045	3.5
109.02960	2.3
111.00925	2.0
113.02453	21.0
114.90874	1.6
115.07671	7.6
119.03516	12.7
125.02505	2.1
143.03511	3.5
149.02434	2.2
151.00371	3.5
159.08148	1.5
159.11736	1.6
161.04597	3.8
161.13382	40.3
164.04836	2.0
165.00600	2.6
165.01945	26.7
179.05644	5.1
185.09787	2.1
185.13393	3.4
187.11295	22.1
188.11546	2.0
205.12357	100.0
206.12711	7.7
208.03912	1.7
223.06169	5.5
229.12354	15.1
230.12764	2.6
231.10237	2.6
247.13461	3.6
249.11363	50.2
250.11665	6.1
259.13474	2.9
271.02521	1.6
279.11438	1.6
291.12408	4.1
301.03589	6.9
331.04456	3.8
331.08237	26.3
332.08807	3.4
411.03748	2.6
411.20813	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	411.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01606	3.5
59.01389	17.1
61.98820	5.6
69.09475	3.5
71.01395	7.5
72.99326	5.4
78.77195	3.6
79.95733	7.8
80.96532	6.1
85.02959	33.3
87.00890	7.3
89.02477	4.8
96.96027	100.0
96.96973	8.8
101.02454	3.5
105.81345	3.4
109.02999	4.1
113.02457	3.7
125.02454	11.6
129.01942	5.6
138.97061	8.5
147.04485	4.6
149.02444	13.7
150.03239	18.4
161.04572	7.9
164.04811	4.3
165.05563	56.0
169.01433	20.0
191.01997	10.7
195.06610	19.5
206.31390	3.3
209.03105	9.9
241.00235	70.2
241.17563	3.5
249.06110	6.3
327.10858	21.6
336.96445	3.5
348.99875	4.2
411.02435	36.6
411.10458	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	411.1275
Annotation	t(6)a
Peak:m/z	Relative Intensity
51.89332	0.8
59.01387	6.6
71.01393	5.3
72.00920	29.2
73.02931	1.6
74.02486	18.8
85.02972	3.9
89.02453	3.5
89.40624	0.8
97.06612	0.9
98.19873	2.1
100.00423	20.4
100.04058	1.5
101.02458	4.2
101.51933	0.9
102.05624	2.7
113.02437	2.4
118.05122	100.0
119.04900	1.0
119.05528	1.0
120.05386	1.5
134.04886	0.9
144.03043	18.1
159.03040	0.9
160.02678	3.8
161.04575	2.5
165.04121	0.9
179.05281	0.9
182.25526	0.8
249.09695	1.0
250.10849	3.1
279.14542	8.0
356.39413	0.9
405.99634	1.0
411.14001	1.1
411.18753	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	21.0
66.25440	3.3
69.03449	5.5
71.54851	8.0
75.26781	3.2
78.95911	9.4
79.95745	3.4
85.02965	8.1
87.56860	3.1
88.17935	3.2
92.92213	3.7
96.95997	8.5
97.02958	5.5
125.09858	3.5
137.09727	8.6
152.99504	6.1
161.02458	9.3
165.12862	20.2
171.10307	12.4
187.11226	3.3
193.08467	23.5
207.10075	20.2
209.11967	4.5
211.13416	18.3
219.10132	3.9
221.11661	7.9
229.14473	10.8
231.10049	10.8
233.09485	6.8
233.11613	100.0
234.11893	8.7
249.11018	13.5
251.11426	36.8
252.11343	4.9
261.11041	25.8
279.10892	4.2
311.80524	3.8
313.17798	8.3
327.21793	55.3
331.18863	15.7
349.19974	96.6
350.20206	9.7
352.37305	4.0
409.12863	8.2
409.20236	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	409.2365
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
59.01397	0.3
62.96401	0.3
65.05676	0.2
69.87473	1.2
78.95911	69.7
86.21615	0.3
88.18164	0.3
96.96977	4.9
117.13715	0.3
122.01125	0.3
150.97989	1.8
152.99599	100.0
153.99876	1.9
171.00629	2.2
203.28931	0.3
255.23286	2.3
409.23636	13.1
410.23947	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.4
61.98836	5.7
65.00328	2.0
68.99818	1.2
71.54233	0.8
93.03471	1.0
95.82661	0.5
96.96023	5.7
97.02994	0.7
109.06590	2.3
119.04279	0.8
119.05057	9.9
120.05401	2.3
121.02992	4.4
121.05614	0.6
122.03297	1.9
123.03463	0.5
126.97051	0.5
133.02972	0.7
133.06612	6.6
136.01685	1.2
137.02451	0.6
148.01833	0.7
149.02397	0.6
151.07652	3.2
161.02493	4.4
163.00377	1.7
164.01115	0.9
170.02205	2.1
175.00366	3.1
175.04033	1.3
175.07678	2.3
176.01134	2.7
177.01831	0.7
186.03232	2.5
189.01910	1.6
189.05544	1.3
190.06343	1.6
191.07080	1.0
201.05579	3.0
203.03583	1.1
203.07213	1.2
204.07851	0.7
218.05792	2.6
219.06642	11.5
220.06990	1.1
225.05809	0.6
232.07487	1.7
241.05132	0.5
264.06308	1.3
267.06555	0.8
271.13101	0.6
272.14005	0.7
283.06143	0.8
288.16928	1.2
289.17157	1.1
295.06049	5.4
295.09143	0.6
296.06100	0.6
309.14993	2.2
311.12836	1.1
325.14542	0.9
327.16104	6.1
338.11603	1.0
353.13977	100.0
354.14328	14.8
354.17880	0.4
392.19583	1.6
393.19977	3.2
411.08752	1.1
411.13919	0.7
412.13892	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2026
Annotation	Xanthoangelol J
Peak:m/z	Relative Intensity
59.01385	1.0
68.99844	1.0
69.41886	3.3
69.42316	3.1
93.03460	6.1
94.03742	0.8
103.80206	0.9
108.02260	1.4
119.05045	100.0
120.05405	6.9
121.02976	83.1
122.03258	1.2
122.03898	0.9
126.62793	0.8
126.71808	0.8
130.04239	3.0
136.05243	1.0
144.05812	1.3
145.06618	2.4
153.31097	0.9
157.06573	2.4
159.08156	2.0
161.02460	1.7
163.04028	13.9
164.04749	3.2
175.04031	4.9
187.04033	1.0
189.05623	1.2
201.05547	1.5
202.06505	0.9
203.07126	1.7
227.14339	1.7
238.85080	0.9
245.15431	6.9
271.13425	19.7
272.13681	2.4
287.13364	1.8
287.16559	29.8
288.16962	2.4
289.14471	11.7
311.18835	1.0
315.16086	6.7
316.16287	1.1
391.19205	69.4
392.19598	11.0
409.20135	9.5
410.20563	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99128	1.2
57.03444	3.9
59.01386	100.0
61.98829	4.4
71.01389	24.7
71.30674	1.6
72.99309	1.4
73.02942	1.9
75.00865	2.1
78.91898	1.6
78.97679	1.1
83.01414	2.0
85.02966	17.5
87.00888	2.6
89.02454	31.8
94.84495	0.9
95.01387	1.5
99.00904	1.1
101.02459	14.3
109.02927	1.3
113.02457	10.8
119.03519	13.6
123.63612	1.1
135.04532	3.8
143.03505	3.1
145.07671	1.4
145.08714	2.0
147.02985	1.7
149.04515	2.1
161.04547	7.1
161.08206	2.3
179.04042	1.3
179.05626	11.5
186.72003	1.0
191.01921	2.8
204.23074	1.1
209.03020	1.1
285.12424	2.7
303.68176	1.2
349.18750	13.8
350.19171	2.1
409.21042	6.9
410.21472	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	6.1
57.03448	5.1
58.00588	1.8
59.01386	36.8
69.03446	1.8
71.01391	58.8
72.01702	1.0
72.99309	2.9
73.02560	1.6
73.02959	31.2
75.00874	1.8
83.01392	12.2
85.02962	30.5
86.00113	1.6
87.00880	3.2
89.02454	12.2
95.01408	4.5
97.02959	2.4
99.00893	12.9
101.02455	60.9
102.02790	0.9
111.00891	2.3
113.02464	21.0
113.09732	1.1
115.04028	1.3
115.11330	1.2
119.05027	1.1
125.02462	5.1
129.01973	2.0
131.03499	2.1
143.03510	3.3
149.04588	1.5
159.02988	4.6
161.04568	20.9
162.04921	1.0
174.32495	0.8
191.05647	0.9
209.08224	1.3
233.06671	3.6
251.18013	0.8
277.16589	100.0
278.16937	10.3
293.08838	1.1
409.20816	78.0
410.21280	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27224	27.4
59.01384	92.4
69.62408	99.2
69.62828	100.0
85.02966	96.7
96.59185	30.8
98.20643	38.7
120.17120	27.5
120.67517	27.5
153.32166	29.4
307.59955	27.9
409.19858	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.2
68.99822	1.4
71.24931	1.5
71.25299	0.6
79.63979	0.6
88.07613	0.7
93.03481	6.0
108.02198	1.2
119.05038	100.0
120.05359	6.3
121.02968	73.5
122.03371	2.6
130.04254	2.4
135.04472	0.8
136.05307	1.0
143.05028	1.5
145.02992	1.4
145.06587	2.1
157.06532	1.6
159.08160	2.4
161.02448	2.0
163.04030	13.4
164.04796	3.1
175.04021	5.5
187.11311	1.1
203.07133	2.3
227.14449	2.9
238.23528	0.8
245.15500	7.2
271.13403	15.9
272.06732	0.8
272.13742	2.6
287.16550	29.3
288.16803	3.4
289.14468	12.8
290.14828	1.8
315.16034	6.9
391.19183	70.5
392.19489	13.0
409.20355	9.6
410.20786	1.3
413.06067	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99168	0.6
57.03452	1.5
65.03970	2.3
68.68443	0.6
70.36081	0.6
91.05534	3.5
93.03467	1.3
98.20707	0.8
119.05041	85.9
120.05361	4.2
121.02985	7.0
136.35056	0.6
141.65857	0.5
145.02968	2.0
149.02470	0.7
159.04582	0.6
163.04004	1.6
165.01936	1.7
172.17348	0.6
175.11259	3.5
191.14462	3.7
227.14554	1.0
245.15428	2.3
267.06662	0.7
273.35181	0.6
288.17032	0.6
289.14468	24.4
290.14890	3.2
303.15918	0.8
307.15613	3.8
367.19388	1.0
389.72678	0.7
409.20215	100.0
410.15341	1.2
410.20566	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	409.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13899	2.1
57.03456	2.9
59.01386	100.0
70.29903	6.8
71.01394	23.8
72.99303	2.9
73.02946	2.9
78.95918	7.4
79.05545	6.5
79.95754	1.7
80.14979	1.7
83.01406	2.2
85.02935	8.9
87.00880	2.6
87.46784	2.0
89.02456	23.6
101.02444	11.8
113.02489	8.6
117.03481	4.1
119.03548	6.7
119.05044	63.0
119.33743	1.8
120.05370	4.5
121.02982	20.5
129.07127	2.9
145.03049	2.5
150.98430	2.0
157.06609	2.9
157.10304	3.2
159.11809	39.4
161.02432	10.3
161.04507	2.4
170.07387	3.4
179.03644	2.0
179.05589	3.5
185.09723	10.7
203.10803	2.4
227.10872	2.7
247.09770	46.1
248.10149	4.6
265.64209	2.1
267.06674	8.0
271.09879	2.1
281.08203	5.4
283.06061	2.3
295.06345	2.3
299.05585	6.5
304.98090	2.1
314.04428	2.1
314.07962	3.6
329.02982	2.5
329.10339	5.2
335.05777	2.2
357.62592	2.6
409.05429	2.7
409.16553	46.3
409.25290	2.2
410.16904	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	409.1659
Annotation	8-Hydroxycudraxanthone G
Peak:m/z	Relative Intensity
59.01378	1.4
64.66113	1.0
68.99818	2.6
70.39283	3.5
73.90103	0.9
78.95918	1.2
79.99046	35.0
80.99820	2.1
91.23146	0.9
96.99320	11.1
111.65070	0.9
111.98028	3.5
119.05014	3.0
120.05399	0.9
123.00894	1.4
123.97964	1.1
124.98824	12.3
125.06086	2.4
130.04175	1.2
132.05832	10.1
137.99652	6.0
139.97536	0.9
140.98283	1.3
148.75208	1.1
151.00374	7.4
151.97525	30.7
152.97148	1.8
152.98314	28.5
152.99551	1.7
153.05577	1.1
153.98650	1.2
158.03745	1.2
164.04793	5.2
166.99902	0.9
167.87442	0.9
177.05557	1.8
185.09668	1.8
186.03194	1.6
187.11298	30.2
188.11638	1.5
193.04993	1.7
195.06551	3.0
199.03999	7.3
211.11311	3.8
212.04724	1.4
213.09236	2.3
221.04546	4.7
239.05559	3.1
255.10280	15.3
256.10641	1.1
283.09793	1.2
297.04089	1.7
299.96301	1.0
311.09229	1.4
312.10037	4.7
313.17596	1.1
340.09521	43.8
341.09790	5.4
348.42993	1.0
348.74713	1.1
360.44266	1.0
381.16934	1.6
409.16507	100.0
410.16910	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	409.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.8
59.01385	16.3
61.98824	0.7
64.17755	0.6
67.01888	0.9
68.39833	0.7
68.99809	1.3
69.03470	1.4
69.55475	3.7
71.01387	14.3
72.99326	4.0
73.02946	3.1
75.00881	11.3
83.05031	1.5
84.02118	0.7
85.02461	1.4
85.02957	19.1
86.03292	0.8
87.00880	5.6
89.02448	3.7
95.01393	3.1
95.05040	11.4
97.06604	63.1
98.06921	2.1
98.20633	1.6
99.00894	9.2
101.02451	3.1
103.00378	1.3
107.05000	1.3
110.05373	0.7
113.02467	14.5
115.00360	1.5
115.07670	12.6
117.01929	1.6
119.03465	1.4
119.05021	0.7
125.02487	0.9
129.01926	2.2
129.67329	0.6
130.80505	0.6
134.03748	0.7
135.04518	2.5
141.05556	2.1
157.01479	1.9
159.06648	47.5
160.06938	1.8
161.04637	1.2
165.01910	0.9
165.05615	1.1
175.02522	1.9
179.05612	0.9
188.81812	0.7
191.01949	1.3
195.06572	0.7
233.10326	8.6
248.09225	0.8
249.06207	10.8
267.07211	2.7
277.12930	0.9
289.07013	0.8
298.08136	0.8
347.13577	1.8
349.18683	0.8
380.77252	0.8
391.12564	3.3
409.13513	100.0
410.13892	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	407.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01706	1.1
61.98820	1.0
71.14335	0.8
74.05009	0.8
96.96031	0.9
107.01380	0.9
119.05033	6.7
121.02993	1.0
123.00919	2.0
143.27475	0.8
151.00392	2.4
154.49979	0.8
171.10240	0.7
198.00851	0.7
204.86842	0.8
220.06110	0.9
255.03014	6.4
255.17694	1.3
256.03763	7.9
267.06723	1.8
283.02405	6.3
284.03275	21.7
285.03903	6.4
375.05179	0.8
392.05432	1.2
407.07703	15.0
407.12955	1.3
407.18625	6.5
408.08163	1.6
408.18723	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0241
Annotation	Ombuin 3-O-sulfate
Peak:m/z	Relative Intensity
55.01849	1.3
57.03411	1.2
58.00560	0.6
59.01385	13.0
59.01657	0.5
60.64102	0.3
64.67812	0.3
69.28885	2.9
71.01390	17.6
72.99279	1.0
73.02953	7.5
75.00853	0.5
83.00940	0.3
83.01390	3.8
85.02959	9.7
86.00088	0.6
87.00885	1.5
89.02459	4.0
95.01354	1.3
97.02915	1.0
98.61887	0.3
99.00906	3.4
101.02452	19.3
102.02748	0.3
104.67862	0.3
111.00848	0.5
113.02469	7.4
115.03954	0.3
119.03461	0.6
125.02459	1.5
131.03473	0.8
143.03464	0.6
148.71495	0.3
149.02415	0.7
149.04590	0.4
154.10712	0.3
159.02940	1.3
159.04147	0.3
159.11768	0.6
161.02481	0.5
161.04581	6.5
169.94510	0.4
185.09738	0.3
191.05600	0.4
205.03520	0.5
227.03493	1.1
233.06625	0.7
243.02982	2.0
244.03415	0.4
247.09793	0.8
268.03714	0.4
271.02505	34.8
272.02841	3.6
277.16583	32.9
278.16922	1.9
285.04193	0.7
293.08740	0.4
297.00613	0.5
299.01990	62.1
300.02313	5.3
313.03537	0.9
314.04352	22.7
315.04709	2.5
321.15576	0.6
327.05173	0.7
329.06683	100.0
330.03036	0.5
330.07025	11.4
409.02390	11.6
409.20840	15.4
410.02695	1.5
410.21246	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90369	0.8
59.01387	100.0
60.01730	0.9
69.78660	4.4
71.01393	7.0
73.02959	3.8
75.00898	1.2
85.02951	3.1
85.67370	0.7
88.66413	0.9
89.02444	6.1
94.02181	1.0
101.02468	6.1
113.02473	3.0
119.03518	1.9
132.39415	0.7
167.10762	2.7
171.10220	1.3
241.88710	0.9
297.21915	0.8
347.17114	35.3
348.17456	2.8
407.18994	2.5
407.26782	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	407.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
58.00595	0.8
59.01388	100.0
60.01717	1.7
61.98842	3.2
66.72416	0.5
69.70771	0.9
69.71178	2.4
71.01392	7.7
72.99324	1.1
73.02967	1.7
74.33938	0.5
83.01405	1.1
85.02958	4.0
87.00894	0.8
89.02456	7.7
95.01411	0.7
99.00879	0.6
101.02453	7.2
102.04428	0.5
113.02466	3.9
119.03521	3.0
119.81592	0.6
161.04610	1.5
167.10876	1.3
170.61964	0.7
201.15176	0.5
244.05219	0.6
245.10114	0.5
245.17616	3.1
246.18027	0.7
271.07224	1.0
287.10535	2.3
313.08508	1.7
315.06253	1.1
331.09140	0.8
347.17148	27.7
348.17648	2.4
365.18396	0.8
407.11014	1.5
407.19223	2.1
407.23441	4.4
408.23563	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01884	0.4
77.23003	0.2
91.01896	0.7
93.03469	0.6
96.21471	0.2
105.03473	0.3
108.02209	0.2
117.03471	1.6
119.05044	46.3
120.05383	2.0
121.02972	1.8
122.03770	0.2
129.35480	0.2
135.00917	1.2
136.01674	1.1
137.02466	0.2
145.02974	8.3
146.03349	0.5
149.02415	0.3
153.01952	0.4
161.02440	0.4
162.03233	0.5
171.08192	0.5
172.08719	0.2
187.11304	0.7
194.02211	0.3
195.08142	0.3
196.05325	0.2
197.06123	0.3
208.05315	0.7
211.07648	0.4
213.05690	0.3
222.06900	0.3
223.07570	0.4
225.05573	2.8
226.06194	0.4
239.07178	0.9
243.13947	0.4
253.05074	0.7
255.06615	0.5
256.07263	0.2
261.14954	1.4
267.06644	7.7
268.07126	0.9
287.12933	4.7
288.13333	0.5
305.14005	0.6
365.17624	3.2
366.17810	0.4
407.18671	100.0
408.19022	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	407.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.9
67.01881	0.4
68.99831	0.5
70.71471	0.4
71.24859	0.7
71.25186	0.5
79.26104	0.4
83.03873	0.4
83.05048	0.5
91.01930	0.6
93.03483	1.0
105.03529	0.4
106.04256	0.6
107.05049	0.8
119.05046	69.6
120.05354	2.7
134.03842	0.4
135.00914	0.7
136.01707	2.5
145.03006	1.4
149.02496	0.9
157.06645	0.6
162.03246	1.0
169.45668	0.4
172.08969	0.4
185.09772	0.4
187.07687	0.5
187.11336	5.0
194.02225	1.5
215.14410	1.5
225.12839	0.5
231.10312	0.8
239.07220	0.5
243.13953	1.2
243.98920	0.5
255.06808	0.5
267.06699	1.5
268.07324	0.8
269.12048	0.6
287.12930	20.9
288.13269	2.8
305.13971	2.7
306.14642	0.4
407.18661	100.0
408.19006	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1926
Annotation	Daumone 4
Peak:m/z	Relative Intensity
53.35128	0.4
53.99432	0.4
56.81729	0.3
57.03442	1.1
58.00609	0.4
59.01386	12.2
68.90499	0.4
71.01392	5.2
71.05030	1.2
72.99321	0.8
73.02948	2.5
83.05039	0.7
85.02956	2.2
87.00876	0.8
87.04535	0.5
89.02456	5.4
95.01340	0.6
97.06600	0.8
98.19897	1.1
99.00848	0.5
101.02445	4.0
103.04013	1.5
111.08171	1.7
113.02471	2.6
115.04005	0.5
119.03533	2.3
131.03557	0.6
143.03494	1.2
145.05067	0.7
155.14441	0.9
161.04567	0.6
163.06100	2.4
163.11282	0.6
165.12866	12.4
166.13176	1.0
171.10274	2.5
172.10545	0.5
179.05591	1.0
183.13916	12.1
184.14259	1.0
199.13425	0.7
201.14986	3.8
205.07225	2.0
209.11827	10.5
210.12143	0.8
225.11354	0.5
227.12907	36.1
228.13206	2.9
245.13951	100.0
246.14284	7.6
259.15518	0.6
269.14014	1.0
287.15125	1.8
305.01358	0.4
317.66302	0.4
330.58633	0.3
356.87579	0.4
407.14474	0.6
407.19254	4.7
407.26523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67436	0.5
64.15074	0.4
70.84473	0.5
70.84776	0.7
91.01907	7.5
93.03477	1.3
104.68214	0.5
119.05042	100.0
120.05385	4.6
132.05821	1.1
133.06616	24.9
134.06950	1.1
134.64584	0.4
135.00906	14.1
136.01234	0.6
137.05577	0.4
145.02960	1.0
145.06607	1.4
149.77675	0.4
153.01979	3.5
158.07347	0.6
170.07317	0.5
173.06146	0.6
175.03937	0.5
185.06116	0.5
185.09801	1.0
187.04085	0.5
190.25365	0.4
198.10487	0.5
213.09265	0.7
213.12859	2.5
229.08739	1.5
231.14041	0.6
243.10150	0.5
243.14070	0.5
253.16039	1.6
257.11859	3.1
264.78949	0.4
269.08240	1.7
269.11621	0.6
271.17041	3.8
275.13058	0.5
287.12915	13.2
288.13223	1.1
305.13892	1.0
349.14401	2.0
349.76401	0.5
377.17542	1.2
389.17526	0.8
407.18649	82.8
408.19012	13.3
434.31033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.1
78.95907	0.9
91.01892	0.5
93.03463	1.7
95.01360	0.5
98.19918	1.0
117.03484	2.0
119.05038	87.6
120.05372	3.7
121.02982	2.4
135.00908	1.9
145.03020	3.3
147.04514	0.6
171.10216	0.7
195.08139	0.7
208.05287	2.3
211.07687	1.6
212.04787	0.5
223.07620	0.8
224.04800	0.5
225.05521	4.2
237.59291	0.5
239.07156	1.3
240.04167	0.6
255.02989	1.4
267.06641	51.4
268.06973	4.8
283.02490	3.6
284.03250	2.1
287.13080	0.7
311.02161	2.4
312.02817	5.0
327.05124	24.0
328.05502	2.2
407.00815	2.3
407.18661	100.0
408.19006	15.6
412.30969	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
69.89184	2.7
71.56084	0.5
88.86174	0.5
89.84960	0.6
93.03452	0.9
98.19846	0.6
100.13026	0.7
103.42863	0.5
107.05016	0.6
108.02189	2.6
109.02986	0.9
118.15722	0.5
119.05042	69.5
120.05400	3.8
121.02983	3.3
122.03721	1.9
123.04546	0.8
134.03786	0.6
136.01672	0.9
143.05060	1.3
145.02983	6.2
145.06683	1.0
149.02451	1.2
152.01216	2.6
157.06628	0.6
159.04491	1.4
159.08180	1.9
161.02412	0.8
162.03281	0.8
165.01950	2.7
170.51875	0.6
187.04002	3.4
187.47723	0.6
187.83289	0.5
188.04744	2.5
189.05505	0.6
194.02190	1.2
201.05585	2.0
202.06378	0.7
203.07135	5.5
205.05139	0.9
213.12923	0.7
217.45135	0.7
243.13910	3.0
245.15369	2.9
255.06581	1.5
257.11957	0.6
267.06625	1.4
269.11874	2.1
271.13174	0.6
279.06717	2.3
287.12918	11.2
288.13300	1.6
308.10425	1.2
363.19702	1.0
379.19174	10.0
380.19669	2.5
407.18668	100.0
408.19006	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	407.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
62.82640	0.6
63.02396	3.4
65.00332	10.9
66.05120	0.6
69.82289	3.5
71.16348	0.6
105.07088	1.0
106.04270	1.8
108.02137	1.0
109.06590	5.1
119.05049	0.9
129.97758	0.6
131.08669	2.0
132.05826	25.3
133.02975	0.8
133.06625	21.5
134.06914	1.1
135.00775	0.8
135.04538	2.4
149.06114	1.6
151.07671	9.0
161.09657	3.5
164.04807	12.4
175.07634	8.6
176.01161	6.7
177.01846	1.0
187.11301	57.2
188.11674	3.7
191.07133	2.7
193.08759	0.9
215.28261	0.6
219.06636	47.6
220.06947	3.5
233.08260	2.2
245.08234	3.3
255.10315	0.7
301.77911	0.7
362.50284	0.7
407.18671	100.0
408.19028	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	407.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02094	0.7
63.02404	8.7
65.00330	14.8
70.28727	1.5
70.29070	0.6
71.31407	0.4
83.01392	8.6
87.17445	0.4
97.85049	0.5
106.04269	1.1
107.01404	18.7
107.05019	0.9
109.02969	0.8
109.06595	0.8
119.05042	28.3
120.05371	0.9
125.02430	0.9
132.05823	11.0
133.06662	4.0
135.04515	2.0
145.02942	0.8
145.06606	1.1
151.00386	46.0
152.00824	1.8
164.01158	0.7
164.04823	5.9
165.01945	2.0
169.01476	1.3
171.08160	0.7
173.09727	2.1
177.01949	6.2
217.08702	3.4
229.15968	2.0
235.09746	0.7
241.66922	0.5
248.04173	0.5
255.17564	29.7
256.17902	2.9
287.13025	2.4
293.08191	0.6
337.14471	1.8
389.17609	0.9
407.18665	100.0
408.18985	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	407.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02401	2.4
65.00331	10.7
68.99829	0.8
70.84346	1.3
70.84704	0.5
77.71819	0.5
83.01401	0.7
94.33655	0.6
105.07071	0.6
106.04258	1.0
107.01350	0.7
107.05016	0.9
107.08676	0.5
109.06607	4.1
119.05041	1.6
131.08681	1.7
132.05835	21.4
133.02934	0.8
133.06638	19.8
134.07007	0.6
135.04506	0.7
147.08159	1.1
149.06032	1.4
149.99704	0.6
151.07663	4.6
161.09789	1.7
164.04816	9.6
175.07652	5.0
176.01163	3.5
177.01994	0.8
187.11310	43.8
188.11629	2.6
191.07164	1.9
193.08664	1.6
193.37529	0.5
199.03911	0.9
203.54056	0.5
213.09242	0.8
219.06645	44.7
220.07022	3.2
233.08250	2.2
245.08286	2.4
255.10233	1.1
337.10690	0.7
407.18671	100.0
408.19019	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	407.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
60.96939	0.8
67.65811	0.8
69.56716	5.1
93.03493	1.2
105.03474	7.2
112.85559	0.7
119.05042	99.1
120.05370	4.7
121.02977	1.0
135.00865	1.0
136.01628	1.6
143.05060	1.8
145.03017	1.2
145.06563	1.1
149.02475	7.6
150.02786	0.8
157.06609	1.8
161.02452	0.9
167.03470	2.0
173.09702	1.1
175.25581	0.7
185.09613	0.9
221.21730	0.9
227.07225	0.9
243.13992	1.0
257.11819	1.1
267.06573	1.2
267.32083	0.9
269.08127	2.4
269.11841	1.9
287.12939	21.5
288.13300	2.9
297.07596	1.2
305.13962	4.8
389.17648	1.4
407.18668	100.0
408.19122	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	407.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
61.85547	0.4
63.02398	2.4
64.55122	0.6
65.00332	7.0
68.99806	0.7
69.75958	0.9
69.76343	1.3
83.41570	0.5
85.45070	0.5
89.77258	0.5
96.97517	0.6
98.19859	0.5
105.07085	0.6
106.04256	0.8
107.05054	0.6
108.02187	0.5
109.06628	3.3
116.62295	0.5
117.03391	0.7
119.05042	12.5
120.05394	0.8
129.07220	0.8
131.08664	1.8
132.05827	17.8
133.06619	18.2
134.06911	1.2
136.01646	1.0
136.90373	0.5
147.08131	0.6
149.06090	1.5
149.99532	0.8
151.07645	6.2
159.04544	0.6
161.02458	1.3
161.09727	3.8
164.04803	8.3
165.05206	0.7
168.87221	0.5
169.09108	0.5
173.18211	0.5
175.07669	7.6
176.01157	5.5
176.08075	0.6
177.01945	0.7
187.11298	52.8
188.11661	4.6
191.07133	1.9
193.08745	0.8
213.09277	1.0
219.06633	48.4
220.07008	3.0
233.08156	2.1
237.07645	0.9
245.08180	3.0
281.08194	1.7
331.85962	0.6
407.18661	100.0
408.19003	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	407.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02402	5.1
64.52168	0.5
65.00335	10.7
68.63316	0.5
69.30140	4.9
75.77370	0.6
83.01401	6.6
107.01405	15.9
125.02493	0.9
145.06558	0.8
151.00389	70.1
152.00693	2.7
165.01952	1.0
169.01384	1.6
177.01978	3.6
195.74927	0.5
200.12053	5.8
229.15984	3.4
232.11078	8.7
233.11330	0.6
255.17580	45.1
256.17957	5.4
297.18460	0.6
323.16299	0.7
407.18668	100.0
408.13641	1.2
408.19012	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	407.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02406	8.3
65.00331	11.2
70.29456	1.6
83.01397	8.7
98.19936	0.4
102.70860	0.5
107.01406	20.3
108.01710	0.7
115.24249	0.4
125.02440	1.3
143.93330	0.4
151.00385	67.5
152.00745	3.2
162.01779	0.4
165.01933	2.1
169.01476	2.5
174.10503	1.0
177.01930	5.0
200.12062	5.0
203.37300	0.5
206.09497	0.6
229.15981	4.0
232.11084	9.2
233.11406	0.8
255.17572	62.8
256.17892	7.7
281.15387	0.8
358.01694	0.5
366.31564	0.5
385.44394	0.4
407.18665	100.0
408.19003	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	407.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03971	0.7
67.77572	0.4
69.21694	3.9
70.98380	0.4
93.03473	1.3
98.20718	0.8
105.03481	0.5
107.05074	0.8
108.02188	3.6
109.02972	1.1
119.05046	61.7
120.05364	2.5
121.02969	5.5
122.03777	2.4
123.04541	1.6
133.02977	0.6
135.04489	0.7
136.01677	1.3
143.05026	1.3
144.05809	0.5
145.02986	8.6
145.06667	0.5
146.03323	0.6
147.04532	0.4
149.02460	1.9
149.06152	0.6
152.01134	2.5
155.11427	0.5
157.06589	0.9
159.04509	1.6
159.08153	1.0
161.02463	1.3
161.06099	1.1
162.03247	1.2
165.01953	3.3
175.07680	1.2
183.08093	0.6
185.06096	0.5
187.03989	4.0
188.04814	2.6
194.02242	0.9
194.48820	0.4
197.99954	0.5
201.05565	2.2
203.07195	6.2
204.07639	0.5
219.06680	1.1
220.39174	0.4
234.05383	0.7
235.79984	0.4
243.13898	3.1
245.15477	5.2
255.06618	2.1
267.06552	2.3
269.11838	2.8
271.13550	0.7
273.14969	0.6
279.06686	3.4
287.12912	7.8
288.13123	0.7
299.12750	0.6
301.14526	0.8
308.10550	1.3
323.12943	1.0
363.19565	1.7
370.02762	0.5
379.19159	17.6
380.19531	2.4
407.18668	100.0
408.19031	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	407.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
70.71999	0.7
70.72363	0.6
78.33694	0.3
83.05031	3.6
93.03465	1.3
106.04256	1.1
107.05038	1.5
108.02178	0.5
109.02988	0.7
110.89172	0.3
117.03506	0.9
119.05039	100.0
120.05366	5.4
121.03026	0.8
122.03737	0.8
130.04230	0.9
133.02959	0.8
136.01694	1.0
143.05052	2.0
144.05824	0.9
145.02928	2.3
145.06555	1.6
147.08192	1.3
149.02469	0.6
152.01175	0.5
157.06660	0.6
158.07463	0.4
159.04509	0.5
159.08168	2.4
161.02464	3.7
162.03265	1.4
171.08192	0.4
173.09760	2.1
174.03264	0.4
187.04042	0.8
188.04701	0.5
194.02235	1.1
201.05580	0.5
203.07303	0.4
216.07924	0.9
217.08661	1.6
225.12845	0.4
228.12695	0.4
243.13916	3.8
267.06610	0.8
268.07382	0.7
269.11743	0.6
279.06699	0.8
287.12915	31.4
288.13315	3.3
305.13959	1.5
325.52579	0.3
379.19287	1.0
407.18655	87.8
408.19006	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	407.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	0.5
69.86397	1.6
80.27792	0.4
93.03435	0.6
93.30907	0.4
108.02187	0.4
109.02984	2.9
119.05038	58.9
120.05380	2.6
121.02927	0.5
123.00920	0.6
135.00897	0.9
136.01683	2.4
145.03004	0.8
162.03241	1.1
165.01883	1.9
194.02222	0.9
231.48555	0.4
243.13921	9.6
244.14360	1.0
267.06616	1.2
268.07440	0.7
272.37347	0.4
287.12903	23.0
288.13202	2.4
301.14560	0.8
305.14008	4.9
306.14368	0.5
346.12088	0.4
353.26495	0.4
365.17633	1.2
379.19040	2.2
407.18652	100.0
408.19012	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	407.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
65.47736	0.5
70.58286	0.8
78.78745	0.4
79.01894	1.0
91.01929	0.7
93.03465	1.1
96.17536	0.4
107.05041	0.5
109.06616	0.6
117.03477	1.0
119.05045	100.0
120.05378	4.3
135.00909	0.9
145.02977	2.4
156.02301	0.5
169.06551	0.6
170.07405	0.7
171.04494	0.6
171.08186	2.7
173.09735	0.7
185.09698	0.8
187.07596	0.6
189.09254	0.9
199.03963	0.5
215.07101	1.4
225.12874	0.7
229.08717	3.6
237.05486	0.7
265.05084	1.5
269.11914	4.4
280.07413	0.6
287.12851	0.9
293.11725	0.6
335.12927	15.8
336.13269	2.0
349.14487	4.0
389.17535	2.8
407.18677	78.3
408.18997	14.2
408.24289	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93737	0.5
69.94717	1.6
69.95128	1.2
71.90353	0.5
91.01902	6.5
93.03477	0.7
95.01410	0.6
98.20673	0.6
105.03497	1.1
108.02222	1.0
118.77119	0.6
119.05047	41.3
120.05360	2.0
122.03783	1.5
123.00872	0.8
132.05823	6.7
134.03735	0.5
135.00905	9.4
136.01712	6.0
145.02951	0.7
148.01704	0.6
149.02428	1.8
153.01932	2.5
155.79012	0.5
159.08086	0.7
162.03244	6.5
163.03601	0.6
164.04788	2.5
171.08234	0.8
185.09767	0.6
187.11299	6.1
188.11627	0.6
194.02191	4.7
213.12961	2.6
232.96620	0.5
239.07152	0.9
253.16077	0.6
262.72446	0.6
267.06677	4.5
268.07455	6.1
269.07852	1.1
271.17041	3.3
287.12921	14.9
288.13281	1.7
305.14066	1.6
407.18674	100.0
408.19012	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	407.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61281	0.9
65.00343	1.1
69.45018	5.5
71.08863	0.9
85.07950	0.8
91.01905	43.2
92.02223	1.6
97.02248	0.7
119.05041	2.0
123.04485	0.8
132.05832	45.7
133.02992	1.1
133.06665	7.1
135.00906	66.5
136.01224	3.1
145.06622	1.8
153.01961	18.0
161.02501	2.1
164.04831	21.0
165.05142	0.9
173.09642	1.1
201.12874	41.9
202.13197	3.0
245.15570	3.8
253.16058	2.3
271.17059	37.1
272.17255	3.8
289.14542	1.1
379.19012	1.9
383.49783	0.8
407.18677	100.0
408.19009	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	407.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
69.66647	0.8
69.67066	1.5
80.02723	0.5
81.97250	0.3
86.86276	0.4
93.03474	2.2
107.05119	0.4
108.02177	4.0
109.02989	0.9
119.05042	100.0
120.05384	5.2
121.02979	4.2
122.03778	0.8
127.76088	0.4
130.04251	0.5
133.02963	0.5
133.06528	0.4
136.01703	0.7
143.05034	0.9
144.05847	1.3
145.02971	2.2
145.03986	0.4
145.06610	0.7
149.02542	0.4
152.01154	5.6
157.06601	1.2
159.04575	1.0
159.08188	1.3
161.02422	0.5
161.06075	0.6
165.01958	2.7
173.06143	0.5
187.04053	2.8
188.04768	1.5
201.05537	2.3
203.07150	0.7
205.05132	0.5
219.06654	1.4
225.12816	0.5
243.13895	6.3
267.06570	0.9
268.07208	0.6
269.11856	4.3
279.06693	1.1
287.12936	11.3
288.13306	1.0
290.24432	0.4
305.14072	1.6
331.53839	0.4
407.18665	68.4
408.19022	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	407.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.3
67.01906	0.6
71.02032	0.5
89.03965	1.2
91.01923	0.5
91.05555	0.7
93.03463	0.7
105.03431	0.2
117.03486	16.2
117.07174	0.2
118.03848	0.6
119.05041	100.0
120.05366	4.7
121.02985	0.7
130.04337	0.2
132.05786	1.2
133.02963	0.4
135.04536	0.9
139.36404	0.2
143.05052	0.3
144.16071	0.2
145.02994	1.5
147.04556	0.4
157.06587	0.8
161.02458	31.2
162.02769	1.6
164.04819	0.6
169.06630	0.5
175.04033	1.3
179.03511	2.7
181.06641	0.2
187.04153	0.3
187.11328	4.4
188.11659	0.3
195.08150	0.7
201.05583	0.6
222.06999	0.3
225.05644	0.2
225.12872	0.3
237.09244	1.1
239.07152	1.2
267.06577	1.0
269.11819	1.5
276.50781	0.2
279.06638	0.5
281.08209	18.1
282.08578	2.3
287.12885	1.4
335.12939	0.3
349.14468	0.3
389.17606	0.9
391.33646	0.2
407.18665	64.1
408.19006	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	407.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76952	2.7
59.01382	37.7
71.01387	9.3
71.55544	4.4
85.02981	7.1
99.00939	3.2
101.02443	6.5
113.02467	5.4
165.12852	3.4
171.10280	3.5
172.93842	2.7
183.13905	24.9
185.11852	62.1
186.12227	4.5
217.76965	2.6
227.12926	7.2
245.13933	100.0
246.14316	9.9
251.12906	3.6
272.19684	3.1
275.15073	6.0
284.46213	2.8
360.87302	2.8
407.19101	12.7
407.24908	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76952	2.7
59.01382	37.7
71.01387	9.3
71.55544	4.4
85.02981	7.1
99.00939	3.2
101.02443	6.5
113.02467	5.4
165.12852	3.4
171.10280	3.5
172.93842	2.7
183.13905	24.9
185.11852	62.1
186.12227	4.5
217.76965	2.6
227.12926	7.2
245.13933	100.0
246.14316	9.9
251.12906	3.6
272.19684	3.1
275.15073	6.0
284.46213	2.8
360.87302	2.8
407.19101	12.7
407.24908	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
79.72002	0.3
86.62463	0.3
98.19850	0.5
102.14010	0.3
106.04261	0.8
106.83294	0.3
107.05049	0.9
119.05064	0.5
121.02972	0.4
130.04233	2.1
134.03752	3.0
135.04541	100.0
136.04866	4.7
143.05019	1.2
144.05820	0.5
145.06613	1.5
149.02457	0.4
157.06631	1.5
159.04613	0.5
159.08174	2.1
161.02446	1.3
161.05978	0.4
162.03142	0.4
170.07239	0.3
171.08150	0.4
187.04037	0.5
189.83891	0.3
201.05579	0.5
204.52415	0.3
227.14468	1.3
245.15277	0.4
271.13422	22.0
272.13708	1.8
289.14490	9.8
290.14862	1.0
389.17505	0.9
407.18668	32.2
408.19006	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	407.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
66.12520	0.5
67.01892	0.5
69.69865	1.6
69.70276	1.4
73.69233	0.4
93.03472	1.1
98.19962	0.6
105.03497	0.9
117.03486	6.3
119.05045	100.0
120.05386	4.3
121.02934	1.1
133.02945	0.5
145.02985	2.5
149.02423	0.9
155.87122	0.5
157.06593	1.4
161.02466	13.4
162.02863	0.8
167.03513	0.6
171.04527	0.5
175.04050	0.6
179.03523	0.8
181.06685	0.6
195.08234	0.6
208.05376	0.7
225.05623	1.9
225.12798	0.8
239.07225	1.1
249.04797	0.5
267.06650	14.3
268.07132	1.0
269.11856	6.7
281.08218	9.7
282.08627	1.4
287.12952	1.7
319.09586	0.8
328.31137	0.5
389.17615	3.4
390.17731	0.7
407.18683	59.7
408.19028	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	407.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
57.01285	1.2
57.03445	4.6
59.01385	51.1
61.98833	2.0
65.27969	1.0
66.18330	1.0
67.01887	1.4
68.99821	2.7
71.01018	2.0
71.01394	30.9
71.05046	1.3
71.54793	1.7
72.99310	7.5
73.02955	3.7
75.00880	20.6
82.95386	1.3
83.01377	1.9
85.02962	38.7
85.49779	1.1
86.03294	2.1
87.00874	9.2
89.02454	14.5
91.03999	1.3
95.01391	5.6
97.02935	1.3
99.00903	10.0
101.02459	7.6
103.00401	2.6
107.48325	1.3
111.00914	1.2
111.08150	1.1
113.02465	31.3
115.00362	2.0
117.01961	2.4
119.03517	2.4
129.01955	4.3
135.04506	1.2
136.01706	1.9
139.07591	1.5
143.03491	1.4
147.03029	2.8
150.03191	2.5
151.04012	5.1
157.01399	1.8
157.07463	2.1
157.08717	35.1
158.09038	2.0
159.03185	1.0
161.04558	4.4
165.05565	4.3
166.63522	1.1
175.02464	2.9
179.03569	1.4
184.06142	1.3
191.01939	5.1
203.83829	1.1
205.07025	1.4
210.05141	1.1
225.45891	1.2
227.13033	1.1
231.05144	3.2
245.17538	1.6
249.06168	31.3
250.06535	1.7
255.05107	3.6
257.12994	2.5
267.07263	10.6
287.14038	4.1
308.61331	1.2
313.11920	2.2
331.12866	3.6
347.17157	2.9
363.16681	6.6
371.06192	1.7
377.17978	3.0
389.14160	2.7
389.18555	2.4
407.15475	100.0
408.15570	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	407.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.6
58.00605	1.4
59.01115	1.9
59.01388	27.9
65.99863	2.0
70.95226	3.3
71.01400	8.6
73.02961	2.4
75.00875	2.0
82.02989	10.2
83.01379	2.1
85.02962	8.5
87.00878	1.6
89.02450	6.3
101.02448	4.9
103.08758	1.4
113.02444	5.5
117.59975	1.4
119.03474	2.5
135.04610	1.6
150.03259	1.7
157.08679	4.2
160.07655	3.5
164.03529	8.0
174.05635	2.5
179.03421	1.3
179.07045	1.7
187.05112	1.9
188.07181	4.3
200.07162	2.4
202.08817	3.8
215.04475	1.9
215.08116	1.9
216.05295	4.5
216.06926	3.1
217.02592	4.2
217.05991	9.3
218.06848	1.4
228.06731	2.4
229.06087	10.4
230.03375	4.1
230.06866	3.7
231.07794	11.3
232.08527	5.5
241.06175	3.4
242.03441	3.0
243.04134	19.2
243.07787	3.7
244.04866	15.7
244.07158	1.8
244.07608	1.3
244.09818	11.4
245.05051	1.8
245.09373	4.7
248.09363	2.8
256.04813	4.0
257.05698	18.4
258.06375	6.7
259.07233	42.2
259.10815	7.3
260.07416	2.6
267.07251	1.5
269.09186	3.8
270.07718	1.9
271.07224	22.8
272.07745	2.5
285.08871	6.7
287.10406	74.1
288.08264	2.6
288.10776	6.3
289.08606	1.6
291.09927	9.7
298.05936	2.3
313.08319	100.0
314.08539	11.3
319.12939	2.6
331.09369	53.6
332.09604	6.5
335.08942	2.4
345.10941	7.2
347.16928	1.5
375.08350	15.2
389.09879	5.3
407.10968	60.0
407.18921	10.8
408.11237	6.4
408.19626	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	407.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01118	2.2
59.01387	29.6
65.27753	1.5
69.26191	13.8
71.01383	11.7
73.02954	5.3
82.02995	10.9
83.01386	2.9
85.02956	6.0
89.02460	7.3
101.02470	10.1
113.02493	3.6
119.03507	3.2
132.04517	2.0
149.02429	2.1
160.07663	1.9
161.04640	4.2
162.05608	1.9
164.03520	6.9
171.10182	2.1
174.05595	2.7
188.07205	4.2
189.02977	1.5
189.06810	2.5
191.04700	2.2
194.04370	2.1
202.08765	4.3
204.05386	1.7
209.04547	10.9
214.08907	1.7
215.04683	2.8
215.08080	1.9
216.05334	5.3
216.06995	2.7
216.10316	3.9
217.02550	6.2
217.06154	7.9
217.09708	1.9
218.06786	2.2
222.82237	1.6
225.91058	1.5
229.06133	9.3
230.03293	3.4
230.06961	4.1
231.07777	15.5
232.08505	6.3
241.06207	3.2
242.03284	2.5
243.04111	21.1
243.07782	3.8
244.04927	13.4
244.09889	13.3
245.07137	1.8
245.09386	5.6
245.17534	5.1
248.09369	3.6
255.34178	1.5
256.04849	6.7
257.05746	17.6
257.09543	1.5
258.06476	7.7
259.07269	44.9
259.10834	5.6
260.07599	5.3
262.06000	1.7
269.09265	2.6
271.07278	25.6
272.07715	2.6
285.08826	6.1
287.10394	81.2
288.08212	2.9
288.10757	6.9
291.09879	12.1
302.05420	1.7
303.09869	2.3
313.08337	100.0
314.08664	14.0
319.12976	1.7
331.09372	64.1
331.13330	3.5
332.09738	7.2
345.11032	10.3
357.07224	2.8
375.08282	24.0
376.08505	2.5
389.09973	6.7
407.10971	62.1
407.18625	13.5
408.11035	7.3
408.19208	2.6
419.33203	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	407.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37173	4.5
59.01386	98.8
71.01385	11.1
71.54634	9.5
73.02922	5.3
78.85446	4.1
82.03004	9.2
85.02982	11.4
89.02450	12.2
101.02467	10.0
113.02449	6.0
135.63902	5.1
149.02470	28.9
171.10310	6.1
209.02733	8.2
209.04567	100.0
210.04739	7.5
217.06079	6.4
243.04065	13.0
244.04793	7.0
244.09680	11.8
256.04849	6.4
257.05713	13.9
258.06204	6.3
259.07214	37.2
259.09851	6.4
259.10757	5.3
271.07184	17.3
287.10431	57.9
291.10004	10.5
313.08347	76.3
314.08716	7.8
331.09323	44.1
332.09860	10.3
345.10602	6.0
347.17093	9.7
375.08188	15.7
407.11215	41.4
407.19376	15.2
408.09464	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2133
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01891	2.2
57.03451	2.1
58.00599	3.8
59.01389	100.0
60.01722	1.3
67.89455	0.3
69.45567	2.8
71.01393	61.5
72.01717	1.3
72.99317	4.3
73.02959	5.1
75.00846	0.4
83.01398	3.8
85.02966	14.4
86.03307	0.4
87.00887	2.8
89.02458	77.6
90.02812	1.2
90.15144	0.3
95.01398	3.9
96.96018	0.6
97.02979	0.6
99.00889	2.1
99.04504	0.6
101.02460	41.1
102.02800	0.8
111.00838	0.5
113.02472	24.5
114.02789	0.6
119.03522	30.1
120.03835	0.8
123.03231	0.4
125.02441	1.1
131.03526	4.0
135.00859	0.5
138.05647	2.2
139.00366	1.2
141.09195	0.7
143.03519	6.1
144.04607	0.5
147.03036	0.5
149.04593	2.8
150.05650	0.5
153.01877	0.7
153.09106	0.4
159.03012	0.8
159.30632	0.4
161.03296	0.6
161.04585	9.7
162.04776	0.6
163.11372	0.4
165.09158	0.5
179.05638	13.0
180.05898	0.7
181.04980	0.5
181.12300	0.6
190.05084	0.8
193.04893	0.5
204.06703	0.9
205.05153	0.4
220.06113	1.0
222.07692	1.3
241.64493	0.4
243.06616	0.8
243.16057	3.4
249.06360	0.4
267.11255	0.5
287.09106	0.5
299.10345	0.5
311.10275	0.8
317.10132	0.6
322.04141	0.4
323.01901	0.4
329.11279	0.9
345.09549	0.5
360.11899	0.7
374.69968	0.4
375.14679	2.1
405.16135	2.3
405.21121	5.3
406.21567	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40499	0.5
59.01385	6.6
61.98814	0.8
69.35210	2.6
71.01392	1.5
78.95917	3.9
85.02965	1.0
87.00872	0.6
89.02469	0.8
99.00868	0.7
101.02466	0.8
113.02453	0.9
138.51727	0.4
161.04622	0.6
185.11943	0.9
209.08102	0.5
225.01912	0.8
241.01492	2.5
253.01447	1.8
269.00928	14.8
270.01297	1.1
285.04092	0.5
297.00421	93.4
298.00760	8.9
312.02783	70.9
313.03107	6.9
327.05115	100.0
328.05484	11.0
406.21671	0.5
407.00809	7.1
407.17764	0.7
408.01199	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
57.03456	12.9
59.01111	1.2
59.01389	17.7
67.32041	0.7
71.01395	7.0
71.24520	1.8
72.99317	2.9
75.00887	2.9
83.01402	1.6
84.02173	2.4
85.02960	100.0
86.03294	2.6
87.00887	2.1
89.02464	4.3
96.96022	1.0
101.02459	2.8
103.00404	1.8
109.02943	1.2
113.02474	3.3
113.06112	2.3
115.00361	1.7
117.03493	0.8
119.03587	1.0
119.05039	7.6
121.02887	0.7
123.04510	1.0
125.02472	0.8
129.01956	10.8
133.02963	1.0
134.03802	1.0
135.04552	13.6
141.01726	1.6
147.03012	18.8
148.03322	1.2
150.03226	0.9
151.04022	1.2
154.28412	0.7
161.04503	0.9
163.04063	2.3
179.03511	4.8
179.91766	0.8
185.02209	15.0
191.02000	33.1
192.02339	1.6
209.03011	1.1
213.00192	1.6
227.03558	1.1
231.00993	1.5
243.03146	0.9
249.06203	1.1
255.03020	5.8
256.03696	4.0
267.07300	1.6
347.17209	1.2
353.05243	2.0
371.06253	12.0
372.06784	1.4
376.10480	0.9
402.00003	0.9
407.03375	1.4
407.07715	8.7
407.12299	2.6
408.08246	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.0
57.03459	9.3
58.00599	4.1
59.01387	100.0
60.01722	1.6
61.98829	1.3
69.67493	4.0
70.87032	0.7
71.01392	56.6
71.05051	0.8
72.01740	1.0
72.99310	4.5
73.02950	4.3
83.01402	3.3
83.05059	0.8
85.02960	14.8
87.00903	3.1
89.02455	65.3
95.01424	3.8
97.02988	0.9
99.00900	1.4
101.02455	38.8
102.02807	1.4
113.02465	25.7
113.75005	0.7
114.02806	0.8
119.03522	31.6
122.03760	0.7
122.06097	1.0
123.08182	1.3
125.06083	2.0
128.03586	0.8
131.03546	2.6
134.12140	0.8
143.03516	4.8
149.04587	2.8
155.03543	1.2
159.02977	1.4
161.04555	11.2
163.11343	1.4
167.10751	4.5
175.02539	2.7
179.05632	8.0
181.12366	1.5
183.10286	14.5
183.11867	1.0
207.13974	0.8
243.16006	9.8
243.18323	1.0
267.07169	0.9
289.12146	1.2
405.17526	2.1
405.21490	31.0
406.17004	1.0
406.21616	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	405.2134
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
51.60971	0.4
55.01890	3.4
56.77256	0.5
57.03449	4.3
58.00597	2.1
58.36985	0.4
59.01388	100.0
60.01728	1.3
69.03475	1.1
69.28592	3.0
69.29004	1.2
71.01392	57.2
72.01752	0.8
72.99319	3.3
73.02954	14.9
75.00881	1.5
78.61245	0.4
81.03481	0.7
83.01392	8.5
85.02964	24.9
87.00877	3.6
89.02458	33.2
90.02814	0.4
91.01901	0.7
91.38284	0.4
95.01399	4.7
95.05045	0.6
97.02975	1.6
97.06604	0.6
98.03757	0.9
98.20669	1.0
99.00897	6.8
99.04555	1.6
101.02460	53.3
102.02850	1.3
109.03014	0.8
111.00887	0.5
113.02469	21.8
114.02759	0.4
119.03516	13.7
119.04330	0.8
121.02991	0.4
121.10284	0.7
123.08199	1.1
125.02486	1.0
125.09715	0.8
129.02063	0.5
131.03555	1.9
135.00970	1.0
137.71457	0.5
137.99600	0.5
141.09236	4.6
143.03528	3.5
149.04587	1.4
153.01961	10.6
153.09250	0.6
159.02992	3.4
161.04575	21.8
162.04935	0.9
163.11407	1.0
165.09277	1.6
168.04306	10.1
179.05620	4.4
181.12430	0.8
183.06648	10.5
184.06926	0.6
207.13979	1.0
220.71223	0.4
223.13550	0.5
225.15041	0.7
243.16031	13.8
244.16560	0.9
249.06061	1.0
267.07269	1.2
329.90759	0.5
345.15744	0.8
405.12973	0.9
405.17587	1.4
405.21616	17.7
406.21957	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	405.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62194	0.7
55.01880	4.0
57.03456	8.4
58.00600	3.2
59.01387	100.0
60.01729	1.6
61.01828	0.8
61.98819	1.6
69.03470	0.9
69.81171	2.1
69.81595	1.8
71.01390	83.5
71.05052	2.2
72.01742	1.7
72.99316	5.3
73.02953	17.0
74.28114	0.7
74.69045	0.8
75.00886	1.7
83.01392	7.7
83.05055	2.1
84.02212	1.3
85.02959	29.3
87.00885	5.0
87.04547	1.0
89.02457	58.0
90.02811	1.7
95.01401	6.3
95.05034	0.7
97.02987	2.4
99.00903	6.9
99.04562	1.5
99.08172	0.9
101.02454	59.9
101.06105	2.5
102.02829	1.3
109.06621	1.0
111.00922	1.3
112.04105	0.9
113.02464	35.5
114.02798	1.1
116.05072	0.8
119.03516	25.3
119.04346	1.3
120.03925	0.8
122.06158	1.3
123.03283	1.9
123.04569	0.8
123.08181	3.4
125.02474	1.7
125.06116	2.5
125.09716	1.2
128.03545	1.3
129.02022	0.8
131.03542	2.4
135.04532	1.0
137.09718	1.3
138.05637	6.9
139.07658	1.5
141.09229	8.0
143.03545	6.4
143.04617	1.6
144.04625	3.5
149.04652	2.2
149.09747	3.4
150.10155	0.8
151.11285	0.8
152.08443	0.8
153.02016	0.9
153.09264	1.1
155.07237	0.9
159.03038	4.8
160.04062	1.2
161.04588	25.3
162.05621	1.2
163.04111	0.9
163.11366	2.2
165.09293	0.9
167.10805	8.7
172.04160	1.6
174.05638	0.9
179.05646	6.4
179.10747	0.9
181.12419	3.1
183.10310	1.3
184.06149	0.8
189.04361	1.8
190.05190	2.1
193.03764	1.3
195.13986	1.2
202.05124	1.8
204.06686	3.6
207.02983	0.8
207.14009	1.8
208.94051	0.7
220.06146	5.2
222.07721	7.1
223.13510	0.7
225.11372	0.8
225.15025	3.1
241.14505	1.6
241.22876	0.8
243.16023	27.6
244.16496	2.2
254.07820	1.3
271.10910	1.0
283.10910	2.2
285.12448	1.0
299.10403	1.5
301.11832	0.8
311.10272	1.8
318.63586	0.7
329.11572	2.2
343.08978	1.1
345.15601	1.9
369.08359	0.8
373.10513	1.5
387.12268	0.7
403.19858	1.0
405.13159	1.7
405.17569	1.8
405.21423	46.7
406.17105	1.4
406.21799	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	405.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30811	0.9
98.83263	0.5
109.06563	0.6
117.66133	0.6
119.05042	51.0
120.05383	1.8
145.02956	2.3
187.07545	0.7
191.07162	1.0
193.95491	0.5
199.07680	2.8
204.07890	0.6
205.08676	0.7
213.05736	0.6
213.09209	1.0
215.07141	1.5
227.07124	2.2
227.10806	4.0
227.14467	1.6
229.08771	1.1
231.13942	2.1
241.08772	1.2
269.11874	0.6
270.12576	1.2
271.13416	3.4
279.06543	0.6
284.14133	1.0
295.10107	0.6
307.09833	1.7
316.13232	1.5
335.12915	4.9
347.12909	11.0
348.13266	1.7
349.14868	0.7
363.19647	2.0
375.15964	0.8
390.18381	0.9
405.20746	100.0
406.21054	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	405.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
66.13378	0.5
70.76147	1.0
70.76521	0.8
76.30124	0.4
99.09248	0.4
105.09320	0.4
119.05047	12.5
136.01704	0.5
145.06602	2.0
157.06653	0.7
159.04495	0.6
187.04036	0.6
200.12096	7.6
201.05580	1.9
201.12367	0.8
228.37155	0.4
232.11061	17.0
233.11412	1.7
255.17569	100.0
256.17899	10.3
267.06448	0.5
267.62405	0.5
279.06723	0.5
281.08145	0.7
298.38571	0.5
321.11258	2.6
405.20743	66.2
406.21072	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	405.2075
Annotation	Lakoochin A
Peak:m/z	Relative Intensity
59.01369	0.4
61.98841	0.5
62.96549	0.4
71.01460	0.7
71.01780	0.4
81.13940	0.4
88.61866	0.4
93.03487	0.7
109.06600	0.6
119.05044	51.9
120.05374	2.0
121.03038	0.4
136.37691	0.4
145.02997	2.2
159.04585	0.5
171.08151	0.4
172.05316	0.5
172.08925	0.6
177.05525	0.9
185.06169	0.5
187.07672	0.6
189.09242	0.6
191.07152	1.3
191.10837	0.5
199.07661	2.8
201.09348	0.5
204.08011	0.6
205.08734	0.8
213.09270	1.1
215.07129	1.3
227.07205	3.1
227.10771	3.6
227.14433	1.2
229.08673	0.8
231.13947	1.7
241.08734	1.1
242.13057	0.5
255.10162	0.7
269.11905	1.2
270.12555	1.0
271.13428	2.8
272.13712	0.4
274.09070	0.4
283.13275	0.6
284.14212	0.9
291.06827	0.5
292.07413	0.7
293.11755	0.5
305.11752	1.0
307.09775	1.5
316.13174	1.0
321.11310	0.4
335.12900	4.4
347.12900	8.9
348.13290	1.5
349.14404	0.6
363.19748	1.8
375.15942	0.6
389.75830	0.5
405.20758	100.0
406.21115	18.3
422.08859	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48886	0.8
56.40303	0.8
57.03460	2.7
59.01388	100.0
60.01720	0.9
61.98839	1.9
66.76920	0.8
69.03472	3.1
69.26136	0.7
71.01388	10.8
71.05044	1.0
71.55328	1.3
73.02959	4.5
83.01405	1.4
85.02962	5.2
85.06608	1.2
85.44219	0.9
87.00871	1.3
89.02454	10.0
95.01402	0.8
95.22456	0.7
99.00881	1.4
101.02464	7.6
113.02459	6.2
119.03526	4.2
139.11270	3.9
143.03568	0.9
149.04526	0.9
161.04639	2.5
179.05649	1.6
181.12482	1.4
183.10277	46.7
184.10608	3.0
193.73718	0.8
225.11397	1.8
243.12445	1.6
243.15825	0.8
267.07675	1.2
281.09451	4.7
283.10855	1.1
285.12442	2.3
291.00183	0.9
293.09341	2.0
295.07339	1.6
311.10373	14.6
312.10550	1.5
329.11340	4.9
345.15439	1.0
405.17075	1.7
405.21014	1.3
405.25659	4.8
406.12909	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01908	0.8
58.00610	0.7
59.01387	36.9
65.42902	0.7
69.17350	8.2
71.01392	18.2
72.99314	1.2
73.02953	4.5
74.49342	0.7
81.91003	0.7
83.01408	1.5
85.02959	5.4
89.02459	16.7
95.01408	1.5
98.20602	1.9
99.00898	3.9
99.04518	1.1
99.78483	0.8
101.02454	7.8
113.02456	5.9
119.03515	5.4
125.09789	0.9
131.03555	1.1
162.72905	0.8
163.11307	5.0
179.05647	1.5
181.12363	25.6
182.12685	2.3
183.10324	1.4
199.13423	2.0
207.10260	6.7
208.10594	0.9
225.11346	100.0
226.11707	8.2
243.06728	2.2
243.12399	41.4
244.12775	2.5
259.10892	0.8
267.12463	1.4
285.13385	0.9
405.17639	36.2
406.17996	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
55.36578	0.4
55.77146	0.4
68.38692	0.4
71.14304	0.5
71.14638	0.5
83.05031	5.7
91.01906	1.1
93.03478	1.0
108.02162	0.5
109.02996	0.5
109.43475	0.4
117.03471	0.7
119.05042	100.0
120.05357	3.6
121.03021	0.3
130.04245	2.5
135.00916	2.6
136.01683	0.5
137.02446	1.1
143.05049	0.7
145.02972	2.5
145.06610	3.2
149.02464	1.0
153.01888	0.8
157.06586	1.5
159.04578	0.6
161.02422	1.1
162.03204	0.5
171.08121	0.9
172.05350	0.5
173.06071	0.7
182.69174	0.4
185.06152	0.9
187.04033	1.1
188.04713	0.5
189.05539	0.5
197.09583	0.4
199.11212	0.5
201.05579	1.9
202.06288	0.5
211.07683	0.7
215.07188	0.7
221.09731	0.9
223.11331	0.7
226.09941	0.5
239.10757	0.5
241.12367	0.8
244.41121	0.4
255.06676	0.9
267.06644	0.7
279.06659	0.6
281.04593	0.6
285.11343	21.6
286.11661	2.1
303.12421	5.5
304.12756	0.6
321.11508	0.4
405.17087	67.6
406.17435	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	405.1711
Annotation	Honyucitrin
Peak:m/z	Relative Intensity
59.01390	1.8
61.98844	0.4
67.42637	0.3
69.41440	2.9
71.01398	0.5
80.96522	0.5
85.02955	0.5
93.03484	0.7
98.19893	0.7
117.03472	1.0
119.05040	100.0
120.05379	5.0
145.02951	1.6
163.04120	0.3
185.02390	0.9
249.05501	0.5
250.06371	2.8
251.07010	1.3
270.95709	0.4
277.05014	4.0
278.05777	1.9
279.06638	1.3
284.29205	0.4
285.11188	0.7
369.13821	0.4
387.16083	1.0
405.17072	93.3
406.17410	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	405.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37527	1.1
55.82452	1.0
56.67587	1.2
59.01386	100.0
60.01691	1.4
71.01392	13.9
71.13601	2.5
72.99318	1.8
73.02952	3.4
83.01405	1.7
85.02964	8.5
88.36842	1.2
89.02457	11.0
95.01385	1.6
99.00867	2.3
101.02447	10.6
113.02475	6.3
119.03506	6.1
139.11267	2.2
143.10762	2.4
157.80162	1.2
159.32739	1.1
160.08368	1.2
161.04538	5.7
181.12317	1.5
183.10274	70.4
184.10580	4.8
207.10271	3.6
225.11305	4.1
243.12381	10.1
243.16153	1.5
302.91016	1.4
311.10382	5.6
319.07336	1.3
329.11414	1.3
405.21207	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	405.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
64.76109	0.4
71.01590	0.9
91.01912	0.5
93.03484	0.8
117.03463	0.9
118.92905	0.4
119.05042	100.0
120.05373	3.8
121.02940	0.8
128.62514	0.4
130.24782	0.4
133.02968	0.7
135.00920	0.5
136.01711	0.8
137.09761	0.7
143.08725	0.6
145.02975	2.5
149.02470	0.6
171.08195	0.6
172.05334	0.5
175.00441	0.5
188.04805	0.4
194.02147	0.7
216.04337	0.7
219.65526	0.4
221.09653	0.5
223.11230	0.7
255.06662	0.8
267.06641	6.0
267.10242	2.1
268.07184	0.9
279.06662	6.1
285.11374	1.9
294.05463	0.9
331.26022	0.4
336.09756	0.5
343.09750	0.5
345.15024	0.6
363.16016	0.5
387.16025	13.6
388.16473	2.1
388.21094	0.5
405.17096	65.6
406.17407	10.7
428.06348	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
81.05412	0.5
93.03474	0.5
93.58982	0.5
93.76116	0.5
98.19910	1.0
108.02177	1.2
119.05043	1.1
133.02968	1.1
136.01633	1.5
159.04552	0.6
159.08121	0.7
187.03966	0.8
201.05576	0.7
209.06111	0.6
225.05545	1.2
229.07401	0.5
237.05630	0.7
253.05118	0.8
265.08405	0.7
282.05350	2.8
295.06165	1.6
314.04364	8.9
315.04767	0.6
321.07678	5.1
322.08130	0.9
335.09338	2.6
336.09946	1.8
405.17102	100.0
406.17422	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	405.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
61.98804	9.7
69.41165	64.1
71.01391	21.5
71.21438	8.4
71.39584	8.1
73.02944	10.3
85.02977	21.5
89.02452	23.0
99.00928	13.3
101.02452	10.0
127.85285	8.6
183.10184	11.0
183.74138	9.1
193.05074	11.7
207.10223	16.4
225.11232	30.7
243.12375	69.6
244.12616	9.9
254.51012	9.2
344.66174	9.6
405.25168	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	405.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
59.28135	13.8
65.73027	13.8
69.49371	96.0
69.82681	14.5
71.01369	46.3
73.02962	24.1
75.00910	15.1
79.14017	14.7
85.02956	57.9
101.02449	16.4
113.02503	15.9
119.05091	15.4
123.00890	13.7
129.01984	17.5
250.09991	17.3
334.53186	13.7
347.64163	14.4
405.16644	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	405.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
59.28135	13.8
65.73027	13.8
69.49371	96.0
69.82681	14.5
71.01369	46.3
73.02962	24.1
75.00910	15.1
79.14017	14.7
85.02956	57.9
101.02449	16.4
113.02503	15.9
119.05091	15.4
123.00890	13.7
129.01984	17.5
250.09991	17.3
334.53186	13.7
347.64163	14.4
405.16644	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	405.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
61.98804	9.7
69.41165	64.1
71.01391	21.5
71.21438	8.4
71.39584	8.1
73.02944	10.3
85.02977	21.5
89.02452	23.0
99.00928	13.3
101.02452	10.0
127.85285	8.6
183.10184	11.0
183.74138	9.1
193.05074	11.7
207.10223	16.4
225.11232	30.7
243.12375	69.6
244.12616	9.9
254.51012	9.2
344.66174	9.6
405.25168	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	405.1712
Annotation	CHEBI:68375
Peak:m/z	Relative Intensity
59.01372	0.8
62.66132	0.6
65.00328	5.7
68.30164	0.5
71.01939	1.1
79.05528	0.6
81.06665	0.5
83.01405	0.7
90.34970	0.6
103.05556	1.7
103.89474	0.7
105.07126	2.8
106.04286	0.7
107.05048	6.8
119.05045	11.4
122.11848	0.6
129.07118	1.9
131.05045	7.8
132.05832	30.2
133.06183	1.6
149.06082	10.6
151.00446	0.7
158.03697	0.9
161.09734	2.7
164.04817	18.7
164.06213	1.0
165.05161	0.7
172.05244	1.0
172.09039	0.7
173.06096	13.5
174.06526	0.5
175.04048	3.2
187.11302	100.0
188.11641	8.2
191.07097	1.2
199.04073	1.1
213.09271	0.8
217.05078	49.6
218.05414	3.5
231.06685	4.5
243.06708	0.8
255.10313	1.7
306.73730	0.6
405.17075	85.9
406.17435	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.4
57.03449	2.1
58.00600	1.6
59.01387	100.0
60.01725	1.7
69.37932	3.2
71.01392	35.4
72.99313	2.8
73.02956	5.7
73.66743	0.5
74.93145	0.4
75.00875	0.7
83.01393	3.2
85.02963	12.6
85.03472	0.7
87.00893	2.3
89.02455	32.6
90.02805	0.7
91.01891	1.0
95.01380	2.9
96.75851	0.5
97.06569	0.5
98.03758	0.6
99.00883	3.1
99.04543	0.8
101.02455	22.8
109.02998	1.3
113.02460	17.0
113.03273	0.7
119.03522	14.3
120.03876	0.5
123.08199	0.7
125.02449	1.1
125.09750	0.5
127.62167	0.4
129.01958	0.6
131.03540	1.6
135.00917	2.5
137.99596	0.7
139.07648	0.6
141.09268	2.0
143.03537	3.3
149.04555	1.0
153.01955	17.1
153.09225	0.8
154.02347	0.7
155.07239	0.5
159.03018	2.5
161.04576	14.4
162.04866	0.5
165.09264	1.5
167.10703	0.5
168.04292	14.0
168.05753	0.8
169.04686	0.7
179.05620	4.9
181.12308	1.2
183.05002	0.6
183.06627	16.1
184.07033	1.1
185.68393	0.5
207.13979	0.8
223.13536	0.6
225.14998	0.6
243.16020	8.8
243.18297	0.7
244.16406	1.1
245.22124	0.4
249.06210	0.7
267.07538	0.7
312.99072	0.5
332.45654	0.5
345.15735	1.0
360.71057	0.5
387.13318	0.6
405.13559	1.1
405.21588	8.5
406.21851	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73847	0.4
57.03451	1.3
59.01385	2.9
61.98837	100.0
62.82865	0.4
70.41216	0.7
70.41589	0.9
71.01393	1.9
72.99323	0.5
73.02961	1.0
78.95924	1.9
81.03439	0.5
85.02962	11.4
85.03478	0.7
86.03313	1.5
87.00896	1.3
87.44805	0.5
89.02454	0.8
92.49586	0.4
96.96982	1.9
99.00884	0.5
101.02442	0.4
111.00913	0.7
117.01959	1.1
119.03518	0.6
121.02933	0.5
125.02499	0.6
128.03537	0.5
129.02005	0.6
129.74968	0.5
147.02994	1.0
182.61897	0.5
191.01924	3.3
192.02295	0.5
209.03082	2.3
287.06247	1.1
308.99017	0.4
369.14084	2.1
405.12067	0.9
405.17264	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82359	0.9
55.01871	1.7
57.03453	11.6
58.00568	1.0
59.01386	13.3
68.99827	1.4
70.94009	1.8
71.01394	9.4
72.99309	3.0
75.00868	2.9
83.01401	1.7
83.04906	1.0
84.02141	2.9
85.02962	100.0
86.03305	1.2
87.00867	1.7
88.16778	0.9
89.02441	4.1
93.77997	1.1
101.02480	1.3
103.00402	1.6
105.03497	1.0
110.07381	1.0
112.06815	1.0
123.04533	3.3
129.01939	3.7
133.01443	3.7
133.02969	1.6
147.03020	9.0
147.90927	1.0
151.04010	4.8
191.01990	27.5
209.03052	36.2
214.69591	1.1
216.25578	1.0
230.31732	1.0
233.64919	1.0
355.06601	2.9
383.19937	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
57.03444	3.7
59.01387	83.5
61.98830	2.9
71.01392	30.9
71.54174	2.2
72.99311	2.9
73.02945	5.0
75.00874	2.7
78.95918	3.5
81.38432	1.5
82.02990	1.8
83.01385	3.1
85.02961	23.9
85.04076	1.7
86.03306	2.0
87.00893	2.1
89.02460	21.9
94.06640	11.0
95.03755	2.2
99.00896	1.7
101.02460	16.7
103.00343	1.5
108.04578	6.0
112.99695	1.5
113.02480	11.5
119.03539	8.7
121.05353	25.1
122.06136	100.0
123.03266	2.1
123.06453	4.6
124.04074	1.7
124.07693	7.0
125.02457	1.6
128.03513	3.5
129.01904	2.1
134.03709	1.5
136.04060	5.3
138.05655	2.2
148.04065	1.9
149.09698	2.0
150.05618	4.3
153.04332	16.6
155.03482	1.5
155.07063	1.5
161.04570	5.9
166.05121	1.7
174.09274	3.4
176.56155	1.6
179.05566	2.0
187.07820	1.4
191.01959	6.1
202.12143	1.4
209.03091	10.0
217.09746	2.3
217.62807	1.5
225.11314	2.3
243.11554	1.8
243.15964	4.0
245.12970	72.1
246.13243	5.3
271.08017	1.6
271.10846	8.3
289.11972	81.5
290.12149	7.2
315.09918	2.8
319.12033	4.6
321.09570	3.1
333.10904	21.7
361.13184	1.8
405.12936	3.3
405.17612	84.1
406.17822	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	403.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23124	0.5
59.01387	100.0
60.01711	0.9
61.98829	3.0
64.80264	0.5
71.01392	1.6
71.49014	0.6
78.95934	1.6
83.01398	0.5
85.02981	0.9
89.02493	1.3
96.96031	0.6
99.08177	0.7
101.02451	1.2
113.02470	0.9
124.60619	0.6
125.06094	0.9
149.06119	0.7
183.13953	0.8
190.65120	0.7
211.13539	1.6
217.06868	0.5
227.08359	1.0
229.14569	1.0
235.06123	3.7
258.01782	1.1
266.44693	0.7
283.10901	3.2
286.01266	0.9
287.05536	0.5
301.03693	2.1
305.52237	0.5
327.10010	1.3
329.03397	0.6
329.23474	4.1
330.23993	0.6
359.07904	1.8
403.23380	0.8
420.30774	0.6
426.71655	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	76.9
69.70255	100.0
75.89398	15.7
78.95882	17.0
82.39210	17.4
167.43178	17.0
168.19031	18.2
284.11316	19.7
287.22202	25.1
403.14539	17.6
417.62503	19.0
428.13205	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.5
57.03456	8.3
58.00596	2.4
59.01387	53.9
60.01733	1.4
61.98824	1.7
68.99818	0.8
69.03447	1.5
69.35287	5.6
71.01389	100.0
71.05068	0.8
72.01732	2.7
72.99326	3.8
73.02954	29.5
74.03293	1.6
75.00884	1.4
78.95913	3.4
80.74714	0.7
83.01405	13.0
83.05026	2.1
85.02961	43.7
85.58801	0.7
86.03274	1.5
87.00909	3.3
89.02456	26.8
89.03011	1.5
90.02765	0.8
95.01402	5.8
95.05042	0.9
95.60625	0.6
97.02972	4.1
99.00890	10.9
99.04530	8.4
100.01231	0.8
101.02453	65.3
102.02785	3.2
103.02889	1.5
109.06667	0.7
113.02464	38.0
113.06091	0.9
114.02769	1.4
115.04129	0.6
115.07694	0.6
118.28846	0.8
119.03505	12.2
123.08164	1.9
125.02468	1.7
125.06104	3.0
126.64691	0.8
129.02013	1.5
133.06654	1.2
134.04739	1.0
136.05278	1.7
137.09734	1.6
139.07666	2.2
141.07037	0.8
141.09227	1.8
143.03491	4.5
143.07153	2.2
149.04512	0.7
151.07661	4.0
151.32146	0.6
153.09222	0.9
157.39920	0.7
159.02992	8.0
161.04576	40.7
161.09738	6.9
162.04915	1.7
162.10045	0.8
163.05008	2.0
164.08411	1.2
165.09254	1.4
169.08646	4.2
175.07796	1.0
175.30005	0.6
178.79797	0.7
179.05608	1.4
179.10802	4.6
181.08641	1.4
187.11305	0.9
190.10059	0.8
197.11829	2.7
205.03606	0.9
205.12343	4.7
223.13443	5.5
224.13739	0.9
237.81477	0.6
241.10872	5.4
241.14490	9.1
269.10251	2.8
270.10675	1.6
271.10815	6.1
309.52274	0.7
400.64780	0.6
403.15103	6.4
403.19754	30.3
404.15527	0.7
404.20300	3.9
404.25412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1976
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
52.80031	0.8
55.01882	7.0
57.03454	8.2
58.00595	2.2
59.01387	56.0
60.78514	0.8
61.98800	0.7
66.41513	0.7
68.99839	0.8
69.03468	1.1
70.94344	2.0
71.01390	100.0
71.05025	1.2
72.01733	2.6
72.99313	4.1
73.02954	31.8
75.00874	1.5
78.71191	0.8
79.06857	0.7
83.01390	13.3
85.02962	44.1
86.03310	1.6
87.00886	4.5
88.32298	0.8
89.02454	28.8
95.01396	7.6
97.02954	2.8
97.06604	0.9
98.03733	1.3
99.00893	12.5
99.04539	10.2
101.02454	71.5
102.02782	2.1
109.02994	0.9
113.02464	40.6
113.06073	0.9
114.02765	1.0
119.03526	11.1
123.08146	1.5
125.02455	2.4
125.06100	2.9
129.01990	1.5
131.03482	1.2
133.06638	1.1
136.05342	1.3
139.07671	3.7
141.09200	1.1
143.03500	5.1
143.07172	2.9
151.07666	4.6
152.02856	0.8
153.09187	1.5
159.03004	9.8
161.04576	44.8
161.09746	7.6
162.04915	2.4
164.08461	0.8
165.09261	1.4
169.08710	3.5
179.05615	1.7
179.10803	4.5
180.11237	0.9
190.10075	0.8
197.11794	0.8
205.03606	0.9
205.12349	2.7
223.13390	5.9
241.10880	1.2
241.14459	10.4
323.13889	0.7
331.13809	1.0
385.75064	0.8
403.19763	39.6
404.20169	5.3
405.86090	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1614
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
55.01882	2.3
57.03448	7.0
59.01386	95.1
60.01735	1.1
63.47601	1.1
71.01393	27.0
72.99310	2.3
73.02962	6.8
77.07664	1.0
78.95906	2.8
83.01406	3.3
83.05092	1.1
85.02964	9.9
87.00867	2.7
89.02457	14.2
95.01401	2.3
95.05048	1.2
97.02982	1.3
98.03735	0.9
98.19936	2.2
99.00854	1.2
99.04543	2.4
101.02456	14.8
109.06604	1.1
113.02459	11.3
113.06052	1.9
116.18848	1.0
119.03501	3.9
119.08705	2.0
123.08212	1.6
125.02489	1.9
127.07673	1.1
127.14554	0.9
133.10260	1.9
135.08173	2.0
137.09727	7.6
141.09212	2.4
151.11256	1.3
153.09245	2.1
159.02899	1.3
161.04593	5.4
161.09746	7.7
163.07607	1.6
163.11340	1.4
165.09241	7.0
174.41647	0.9
177.12854	4.1
178.13255	1.2
179.10788	5.5
181.08710	17.1
187.11307	2.5
197.11855	63.5
198.12219	3.9
205.12404	6.7
206.12772	1.2
221.11864	1.2
223.09825	6.2
223.13406	12.6
229.09563	1.0
241.10851	100.0
242.11185	7.7
248.11024	1.2
250.58688	1.2
283.11798	1.9
341.15979	1.7
403.11053	1.7
403.15912	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	403.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	4.3
57.09656	0.6
59.01386	64.9
60.01722	0.8
69.57982	4.2
71.01397	9.2
72.99334	0.9
73.02966	1.5
83.01400	1.2
83.05045	0.8
85.02950	3.8
87.00894	2.4
89.02459	7.4
95.01391	0.8
97.02960	0.9
97.06596	0.9
99.00929	0.7
99.04550	3.1
101.02460	4.5
113.02458	4.2
119.03502	2.2
119.08694	2.1
133.10245	1.5
135.08167	2.0
137.09750	5.0
161.04597	0.9
161.09743	1.8
163.07681	1.6
179.05763	0.8
179.10820	4.7
181.08734	10.4
182.09242	0.7
194.82848	0.6
197.10013	1.5
197.11855	33.9
198.12183	3.1
223.09763	3.8
241.05562	3.4
241.10840	100.0
242.11165	8.6
267.87714	0.7
283.11865	3.0
315.16479	0.7
384.84207	0.7
403.16040	5.1
404.15933	0.7
405.31293	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1613
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
57.03458	3.8
57.22140	0.7
59.01386	80.4
59.75914	0.7
60.01725	0.9
61.98851	1.8
69.32576	0.8
70.15715	0.7
71.01396	12.4
71.05038	0.9
72.10698	0.8
72.41571	0.7
72.99326	1.3
73.02969	2.1
75.00888	0.8
75.66069	0.7
75.96619	0.7
83.01387	1.8
83.05025	0.9
85.02960	3.9
87.00912	1.8
89.02468	9.3
95.01385	1.3
99.04533	2.7
101.02460	7.4
113.02468	4.6
114.64537	0.7
119.03536	2.5
119.08659	2.2
121.06591	1.1
125.02432	0.9
125.09744	0.8
133.10263	2.1
135.04565	1.1
135.08173	2.6
137.09756	4.9
150.69151	0.7
155.10922	0.8
161.04616	1.6
161.09769	4.6
163.07684	1.6
175.65106	0.8
177.16608	0.7
179.10803	4.5
180.11305	0.8
181.08730	15.8
182.09064	1.0
190.05107	1.1
197.11862	50.2
198.12193	3.1
205.08917	1.1
223.09819	4.5
224.09660	0.8
231.05203	0.8
239.12051	1.0
241.10846	100.0
242.11186	7.6
253.06187	1.8
283.11017	4.1
300.32352	0.8
309.08719	1.8
327.09729	3.8
371.08807	3.2
403.11636	6.0
403.15598	5.7
403.23825	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1614
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
55.01890	0.9
57.03451	1.6
59.01388	67.1
61.98851	3.7
69.03465	1.1
71.01394	16.6
72.99290	1.0
73.02961	3.3
78.95916	5.4
83.01419	1.6
85.02956	8.5
87.00883	2.6
89.02451	7.0
95.01382	1.2
97.02960	0.7
99.00906	1.6
101.02452	11.4
109.06606	1.7
113.02440	6.7
119.03506	3.1
121.06588	2.8
128.03592	0.9
131.03519	2.5
134.04715	0.9
145.06621	2.6
147.04572	1.0
148.12814	0.7
159.02995	0.9
160.98451	0.7
161.04611	4.1
161.09753	2.6
163.07655	4.5
166.06360	1.4
167.03488	0.9
179.05681	0.6
179.10779	1.9
179.42770	0.6
181.08719	2.4
221.06808	1.0
221.50438	0.7
223.09630	0.8
241.10883	0.8
320.09387	0.9
403.16122	100.0
404.16422	11.2
406.99084	0.7
410.30768	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01701	1.0
60.27517	1.0
61.36267	0.9
61.98822	3.4
69.76406	3.3
69.76816	1.9
71.01038	1.5
71.01382	8.6
73.02957	2.1
78.95890	2.7
85.02958	4.9
89.02459	4.0
96.81695	1.0
101.02453	7.3
105.25468	1.0
109.02948	1.5
113.02448	3.6
117.57355	1.0
117.94559	0.9
121.02961	2.8
134.04784	1.5
145.81026	1.0
153.02060	1.1
159.03044	1.1
161.04570	5.4
166.02716	2.5
166.06384	14.0
167.03450	5.6
170.51405	1.0
181.05054	2.8
181.08728	15.7
182.05797	1.7
211.04041	1.8
216.46761	0.9
226.04793	3.0
235.11708	1.4
240.04288	1.3
241.07127	5.1
246.30998	1.0
315.02023	1.1
367.16071	4.5
403.12823	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	403.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46636	1.1
57.03448	6.0
59.01383	13.6
59.68571	1.2
61.98835	7.4
69.25536	12.4
71.01392	6.0
72.99306	1.5
73.02947	4.0
75.00879	2.1
81.03459	2.9
83.01377	6.5
83.05016	1.5
85.02953	3.6
93.03434	1.5
95.01394	2.0
95.05055	2.9
97.02964	4.7
99.00875	1.5
99.04524	3.1
101.02444	2.8
103.03966	1.2
108.91318	1.1
109.02962	15.7
111.04518	5.2
113.02448	1.5
119.05016	1.7
121.02979	3.5
123.00932	6.2
123.04564	2.2
124.01670	4.0
125.02460	87.9
126.02769	2.7
132.04590	1.9
135.04620	2.5
135.08150	2.1
137.02469	33.5
138.03252	2.5
139.04031	23.3
147.04568	2.2
149.02464	2.3
149.06110	2.6
149.43213	1.4
151.04015	5.0
155.10791	1.9
159.04558	2.3
160.04028	2.3
160.05296	2.8
161.02466	5.2
162.03180	1.5
163.04005	2.1
164.01183	6.7
165.01944	22.9
167.03517	26.0
173.06085	2.9
175.04007	4.3
175.07640	3.6
177.01958	3.9
177.05547	5.2
179.03520	20.7
179.07158	4.7
180.03886	1.9
190.05092	2.2
191.07178	4.2
199.09854	1.4
201.05524	2.5
203.03482	4.5
204.04268	4.0
205.08788	4.2
215.07310	1.3
218.05817	2.0
219.06660	24.0
220.07057	2.1
221.04561	10.8
222.04845	1.3
233.08162	2.7
239.11871	3.4
240.10309	1.4
241.10199	2.0
253.06177	4.6
255.16104	2.1
261.07669	7.0
268.08389	1.7
273.11432	1.5
283.10883	9.4
305.06683	100.0
306.07181	9.7
309.09125	1.5
327.09885	7.4
359.11337	16.4
360.11722	2.4
371.08865	7.7
385.13031	1.7
403.14294	43.8
403.19589	4.4
404.14291	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	403.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29364	1.2
57.03453	3.9
58.90556	1.2
59.01387	6.3
61.98830	2.8
67.01888	1.3
71.01353	3.2
71.53824	1.7
78.95916	48.2
79.95758	4.4
85.02973	12.4
96.96024	100.0
96.96976	70.5
109.02973	7.4
113.02466	1.4
123.00897	1.2
124.01656	1.7
125.02470	27.5
125.61488	1.5
132.07350	1.5
137.02470	13.4
139.04079	6.1
145.30096	1.6
153.01950	3.3
164.01227	2.8
165.01959	7.1
167.03487	6.7
177.01868	1.9
179.03543	6.7
191.01933	3.1
194.12918	1.7
203.03789	1.3
204.04279	1.9
209.03065	2.2
219.06660	5.2
221.04588	3.1
261.07687	2.0
299.40961	1.4
305.06702	50.1
306.07053	4.8
367.46204	1.3
402.38837	1.5
403.09058	3.9
403.16278	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	403.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
55.87365	0.9
57.03453	14.0
59.01388	10.1
61.60213	0.9
61.98840	6.1
69.62951	1.7
69.63356	4.0
71.01382	8.9
72.08991	1.0
72.99315	4.2
75.00887	2.3
78.95894	3.2
81.65474	1.3
83.01395	2.1
84.02174	2.7
85.02959	100.0
86.03294	4.1
87.00893	1.6
89.02451	4.3
93.03467	2.5
96.96946	2.7
99.00877	1.5
101.02459	1.3
109.02922	2.0
115.00362	1.0
121.02923	4.9
123.00908	1.1
123.04518	1.6
125.02412	1.6
128.78848	1.1
129.01962	6.9
133.01431	2.6
135.04518	2.6
137.02441	11.5
139.04016	6.4
147.03006	12.4
149.02417	8.6
151.03938	1.0
167.03496	7.8
191.01990	36.7
193.01363	2.1
209.03040	24.9
211.02386	2.3
225.16623	1.0
242.66963	1.0
283.67609	1.1
289.23969	1.0
296.69351	1.1
305.07629	1.1
355.22885	1.1
399.61209	1.3
403.05283	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	99.5
59.01693	5.1
60.01715	2.9
61.20556	3.3
61.98843	37.9
63.63112	2.3
63.71836	2.4
63.72177	2.5
69.36720	14.6
69.37125	5.0
71.01382	31.1
72.99287	8.3
73.02954	3.3
78.95918	72.4
79.82015	2.3
83.01369	3.3
85.02966	23.4
87.00896	2.8
89.02452	24.8
95.01405	7.8
96.96012	3.8
96.96989	13.5
101.02470	15.8
105.98287	2.6
107.03673	3.2
111.00874	4.5
111.83471	2.4
113.02464	14.0
119.03495	8.2
121.02971	6.4
123.00897	100.0
123.04555	3.6
124.01703	32.2
128.03510	2.4
134.04739	25.6
137.02434	7.3
138.02245	4.6
138.03244	59.2
139.00409	4.3
139.04036	68.0
140.04382	4.5
145.08493	2.7
149.02461	5.3
149.09683	3.8
151.04018	3.8
152.01181	2.5
158.92555	7.0
161.04546	8.4
161.09752	5.0
178.02722	2.9
179.10776	6.4
181.05093	7.2
203.05659	5.3
205.12263	3.2
208.03970	3.4
209.03139	4.1
223.06036	4.8
241.07306	6.8
315.02344	3.9
316.59650	3.2
341.60443	2.5
343.10391	15.6
382.55118	3.2
397.90717	3.0
403.12296	2.6
403.16071	33.7
403.20401	4.3
404.16718	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	402.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19664	6.2
59.01374	7.4
61.98838	100.0
62.09462	6.4
64.61548	7.6
69.48630	45.1
78.47226	7.0
109.34015	6.5
110.09235	6.5
119.05009	18.7
219.06650	7.0
232.17517	6.7
339.12360	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	402.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.6
61.36980	2.4
61.98841	100.0
65.00348	3.2
85.35210	3.3
107.01379	5.5
121.02901	3.0
125.84193	3.1
132.05869	4.1
151.00400	18.9
187.11255	11.3
284.11493	3.5
339.12354	32.9
340.12521	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	402.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	11.8
61.89094	6.5
61.98841	100.0
69.87407	26.5
69.87820	13.4
102.11656	6.6
109.58485	6.8
114.70693	7.4
119.05029	22.1
121.02994	9.7
122.03302	9.0
141.75127	6.0
143.31340	6.2
196.34149	6.5
322.83252	6.9
402.09247	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	403.0342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68917	1.3
59.01384	2.4
60.87235	1.3
70.13925	1.3
71.08134	3.4
78.95914	39.0
79.18694	1.4
79.95741	3.5
85.02959	2.5
89.42315	1.3
96.96018	100.0
96.96973	57.5
109.02991	3.7
123.00864	2.5
125.02459	27.6
137.02463	8.1
139.03998	5.7
165.01920	5.8
167.03445	5.3
177.05489	1.6
179.03499	4.4
219.06668	3.3
221.04503	2.0
233.21553	1.4
261.07803	1.6
305.06671	47.2
305.10205	2.5
306.07031	3.8
414.56085	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
58.00591	2.7
59.01389	43.6
66.08950	0.8
71.01022	1.5
71.01390	27.6
71.54832	1.5
72.99302	2.5
73.02958	2.2
83.01389	2.3
85.02955	7.5
87.00844	1.2
89.01937	1.5
89.02459	20.2
95.01383	2.1
97.02959	1.1
101.02450	12.9
102.02785	0.9
113.02473	7.8
119.03516	6.6
119.04922	1.3
121.02966	12.3
123.08202	1.0
135.04536	2.0
145.96613	1.0
169.08720	2.0
171.10146	1.0
181.06572	3.3
220.92314	0.8
221.15518	8.9
222.15782	1.3
225.05646	1.3
239.16547	4.4
247.61151	0.9
250.91983	0.9
285.05646	1.9
327.21729	1.8
357.09882	1.3
401.08426	4.1
401.21750	100.0
402.22189	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52120	0.7
59.01388	100.0
59.10542	0.7
65.28019	0.7
71.54556	1.3
76.66036	0.8
77.58369	0.8
121.02979	4.0
136.55495	0.7
148.41786	0.6
149.33691	0.8
149.55670	0.8
240.75301	0.7
313.07178	1.6
401.09283	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30730	1.1
51.61257	1.1
57.03442	3.2
59.01392	20.6
61.98831	2.7
67.01889	1.9
68.99824	4.4
69.03465	3.4
71.01388	24.8
72.99311	7.0
73.02963	3.7
73.96304	1.1
75.00880	22.2
78.95910	2.5
81.03451	2.8
83.01405	1.3
85.02963	33.1
87.00871	6.3
89.02475	6.5
93.03467	1.4
95.01391	7.4
96.96011	6.2
96.96976	3.7
99.00906	9.3
101.02453	2.4
103.00392	2.1
108.04570	73.5
109.02952	2.2
109.04897	2.6
111.00905	1.5
113.02464	23.6
115.00323	2.2
117.01947	3.0
119.03569	1.3
125.02484	2.1
126.05569	1.3
129.01921	3.1
137.02502	1.4
147.03064	1.7
152.03555	83.7
153.03889	3.7
160.86044	1.3
168.17162	1.1
175.02446	2.4
180.07416	1.4
181.08766	1.3
189.04056	1.9
191.01985	4.9
208.95297	1.2
209.03085	4.8
220.60597	1.3
228.94228	1.3
231.05128	5.1
249.06180	100.0
250.06490	3.0
266.07565	1.9
296.08875	2.6
305.06723	4.3
384.09348	3.0
402.10492	74.5
403.10986	9.8
403.16110	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	402.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06263	33.4
59.01384	89.8
61.98830	100.0
67.38396	30.1
79.94334	33.0
85.33532	33.8
98.20841	36.8
119.04995	37.2
121.02979	67.9
185.95663	42.1
213.08864	32.9
230.24355	46.6
329.70282	42.4
340.86877	32.5
403.15250	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1822
Annotation	Spionoside B
Peak:m/z	Relative Intensity
53.86674	0.6
58.39952	0.5
59.01385	8.7
69.62618	1.1
69.63026	2.2
70.54913	0.4
70.69839	0.4
71.01397	4.2
73.02950	1.5
83.01398	0.6
85.02941	2.5
89.02468	2.6
95.01403	0.5
97.06594	0.9
98.20638	0.8
101.02485	2.4
101.03036	0.5
106.04242	0.6
113.02464	3.8
119.03491	0.8
126.81436	0.4
150.03276	0.5
161.04553	0.6
177.12852	7.3
179.05673	0.6
193.55096	0.5
195.13914	100.0
196.14255	7.9
203.10811	1.8
219.13919	1.3
221.11819	1.8
229.10187	0.5
239.12904	80.1
240.13275	7.1
263.12897	3.9
281.13928	2.6
327.21890	0.8
357.13010	0.4
401.17291	0.9
401.21988	2.9
402.21927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.2
67.61005	0.7
70.04231	2.7
70.04642	1.5
71.01398	6.2
73.02957	1.9
83.01380	1.0
83.05052	1.1
85.02956	5.9
85.03387	1.0
85.56654	0.9
89.02466	6.1
99.00886	1.5
101.02460	3.9
113.02431	3.8
114.02847	0.9
121.03001	0.9
149.04562	1.7
167.10765	2.0
171.04596	1.3
171.10236	0.9
177.02003	0.8
177.12871	7.0
195.13922	100.0
196.14265	6.2
203.10934	1.2
215.03508	2.4
219.13857	1.4
221.11847	2.9
227.12871	0.9
233.04568	4.0
239.12912	89.6
240.13251	7.0
263.12875	6.5
264.13538	0.9
264.92432	0.7
281.13962	2.0
327.21750	2.7
401.17340	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1823
Annotation	Spionoside B
Peak:m/z	Relative Intensity
55.01902	1.4
57.03450	3.8
59.01390	65.6
59.97136	1.3
60.82817	1.2
63.83092	1.2
65.90688	1.2
67.77068	1.4
69.03461	1.3
69.51744	8.1
71.01391	21.7
72.99325	3.0
73.02955	4.1
75.00878	1.7
79.95686	1.2
83.01401	2.2
83.05067	1.4
85.02975	9.4
87.00875	2.1
89.02454	17.6
93.03483	1.3
95.01392	2.1
95.04977	1.6
97.02987	1.9
99.00813	1.4
101.02456	11.4
102.35366	1.4
109.02986	2.4
113.02470	11.3
116.03531	1.2
119.03518	7.2
119.05093	1.2
121.03012	1.2
123.04583	1.7
125.02486	8.4
135.04485	2.4
137.02477	10.2
138.03233	6.2
161.04543	4.1
165.01965	11.2
166.02664	2.8
177.01917	2.1
177.12828	8.5
179.03578	2.5
179.05614	3.1
181.12512	1.7
187.11333	1.7
195.13921	100.0
196.14276	9.0
203.07173	5.0
203.10771	2.0
219.06480	1.3
219.13951	1.7
221.11897	3.3
225.11383	3.5
239.12915	97.9
240.13280	7.6
263.09369	1.4
263.12976	6.3
269.10391	7.4
281.13995	2.1
304.06473	1.7
311.05637	1.3
341.11093	2.1
401.12558	3.9
401.17819	5.7
401.25644	3.2
402.18552	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	401.1819
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01875	1.4
57.03447	1.8
58.00591	4.0
58.89819	0.9
58.93508	0.9
59.01385	65.5
60.01711	1.1
64.14113	0.9
70.59085	2.8
71.01389	40.5
72.01732	1.1
72.99302	3.8
73.02932	1.4
81.03460	1.6
83.01382	2.6
85.02951	11.2
87.00913	1.0
89.02454	35.7
90.02818	1.3
95.01431	1.2
101.02448	22.8
108.02223	1.4
113.02469	14.8
114.02756	1.0
119.03505	14.7
121.02963	4.5
123.04520	4.5
143.03500	1.8
147.02986	1.6
149.04597	1.3
161.04549	1.8
172.88081	1.0
177.12819	3.5
179.05576	2.8
179.10735	5.1
211.60780	1.1
221.11838	4.6
239.12917	3.4
313.07358	1.4
342.64786	1.0
401.18124	100.0
402.18347	11.2
402.22852	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.7
59.01386	100.0
60.01730	0.9
61.98846	1.0
68.86674	0.6
69.37440	0.6
69.70133	1.2
69.70551	2.5
71.01389	7.4
73.02945	1.5
81.03483	0.9
83.01430	0.7
85.02957	5.3
87.00911	0.7
87.02338	0.6
89.02453	9.7
93.03527	0.6
96.96022	1.2
99.00899	0.8
99.04607	0.8
101.02447	5.1
108.02184	3.2
109.02969	3.4
111.00873	0.8
111.04536	1.4
113.02469	3.5
119.03531	4.1
121.03009	0.7
123.04580	1.5
125.02454	3.6
131.49977	0.6
137.02499	0.9
143.03566	0.7
152.01201	2.5
153.02003	1.8
161.04668	1.4
161.06119	0.6
165.01982	0.6
167.03542	4.3
170.38716	0.6
179.05681	1.0
189.07172	1.4
199.07184	0.6
205.03545	0.6
206.09535	0.9
221.11795	1.2
223.04765	0.7
224.04893	0.7
225.05150	1.3
239.09445	0.9
281.06689	4.9
311.07880	0.9
341.16183	1.4
401.10696	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	401.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17123	0.8
53.61676	0.8
55.01886	2.2
57.03445	3.2
58.00577	1.4
59.01389	77.7
60.01718	1.4
69.84888	2.3
69.85301	2.5
71.01014	1.8
71.01393	24.2
72.01684	1.2
72.99318	2.2
73.02966	5.3
83.01408	6.4
84.02231	0.8
85.02972	11.5
87.00872	1.4
89.02460	11.3
93.82832	0.9
95.01382	2.5
97.02928	1.0
99.00870	2.7
101.02460	20.0
109.03000	2.1
113.02469	9.6
119.03499	3.7
123.04560	1.8
123.08185	2.4
125.02487	5.0
137.02466	7.7
138.03247	5.6
161.04576	3.6
164.01114	1.1
164.04782	2.4
165.01970	6.0
166.02722	8.2
177.01918	1.1
177.12793	4.5
179.03500	1.7
179.05650	1.2
179.07179	2.2
182.38351	0.8
195.13956	2.1
209.02969	0.9
213.19804	1.0
221.11835	5.1
261.21295	0.9
273.65631	1.1
285.04028	1.3
299.30865	0.9
303.05035	4.1
304.05887	1.5
346.76733	1.0
369.59625	1.0
383.11392	2.1
401.18195	100.0
402.18512	12.2
422.53082	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	7.0
57.27489	1.1
58.00595	2.5
59.01388	100.0
61.98812	1.6
69.54893	8.6
71.01390	52.1
72.01740	1.5
72.99301	3.3
73.02946	2.4
83.01391	3.1
83.05054	1.6
85.02975	14.9
87.00882	3.7
89.02460	62.5
95.01402	3.8
99.04506	5.5
101.02457	30.4
113.02460	18.9
119.03519	27.7
120.45890	1.1
121.06552	1.4
131.03510	2.8
137.02357	1.2
143.03468	2.6
149.04539	2.9
159.53148	1.2
161.04581	3.8
163.07675	9.6
179.04228	1.5
179.05606	5.5
179.07135	3.4
181.08742	1.9
245.61073	1.2
297.87042	1.4
343.14011	51.1
344.14240	5.4
401.10312	2.0
401.18179	14.3
402.18640	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1823
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
51.19625	0.8
52.32267	0.7
55.01873	1.7
57.03455	5.4
58.00578	1.3
59.01388	99.8
60.01732	1.9
71.01394	25.7
71.55033	1.0
72.99321	2.4
73.02958	8.3
80.87849	0.9
83.01403	5.8
84.15819	0.9
85.02961	12.6
87.00886	1.6
89.02457	11.8
95.01408	2.8
96.95976	1.0
99.00887	2.5
101.02457	20.1
109.02944	1.6
112.49816	0.9
113.02467	10.5
119.03515	5.5
119.04942	0.9
121.02974	1.1
123.04494	2.1
123.08167	4.5
125.02481	4.9
131.03537	1.1
135.68909	0.8
137.02460	9.8
138.03268	5.9
143.03516	1.4
151.04048	1.3
151.11287	0.9
161.04601	2.7
161.09721	1.4
164.04836	1.2
165.01929	7.3
166.02740	9.0
166.77385	0.8
167.03308	1.1
168.86655	0.9
175.03932	1.0
177.01892	1.5
177.12849	5.1
179.03415	1.1
179.07153	2.0
187.03972	0.8
195.13977	2.7
221.11876	4.4
239.12704	1.1
259.06161	1.0
263.08997	0.9
285.04160	1.1
303.05038	5.4
304.05890	2.6
309.62997	0.9
359.17203	1.3
383.11676	1.1
401.18204	100.0
402.18555	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	401.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58022	1.0
57.03457	1.5
59.01389	100.0
71.01399	4.5
71.12841	2.2
85.02965	11.8
89.02445	3.6
93.03440	1.5
101.02438	2.3
101.57278	1.1
113.02459	1.3
119.03508	1.2
129.01906	1.0
137.02461	2.9
146.03752	20.2
147.03021	1.3
149.06097	1.7
155.53790	1.0
161.04808	1.2
161.06114	5.6
164.04803	14.5
179.07158	52.2
180.07507	3.7
187.25691	1.1
191.02013	2.9
202.48169	1.0
209.02968	1.1
237.11377	1.4
243.60132	1.1
311.07602	1.9
401.10815	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
55.93530	1.1
57.03451	9.6
58.00585	3.7
59.01386	100.0
61.98843	1.4
69.27366	1.0
69.29070	1.0
70.11505	2.9
70.11916	1.8
70.47501	1.1
71.01391	58.9
72.01744	1.8
72.99325	6.0
73.02948	2.4
75.00874	3.3
78.95913	1.4
83.01389	3.4
83.05025	2.4
85.02963	17.5
87.00894	6.8
89.02454	70.5
90.02758	1.4
95.01433	5.7
97.06585	1.5
99.00883	1.7
99.04532	7.8
101.02454	37.7
102.02808	1.4
108.02158	1.5
109.02959	3.0
111.00871	1.6
113.02457	24.9
119.03520	29.7
121.06554	3.2
123.04535	3.6
129.01938	1.8
131.03499	3.4
137.02466	1.4
140.04333	1.0
143.03485	3.3
149.04602	2.7
149.06079	11.4
151.04022	3.5
153.01901	1.2
161.04578	5.4
163.07651	10.1
179.05649	7.3
179.07059	2.0
209.03070	1.5
221.11739	1.2
237.03915	1.9
249.06120	4.1
251.57608	1.0
259.46585	1.2
301.13083	1.1
343.13983	57.6
344.14285	6.3
357.08276	1.4
401.10822	3.7
401.18277	15.9
402.18484	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1456
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
51.56622	1.5
55.01877	4.3
55.41962	1.5
57.03443	5.2
58.00579	2.3
59.01386	40.3
60.93314	1.5
64.44606	1.9
66.68855	1.7
68.11477	1.5
70.57227	5.7
71.01392	92.8
72.01762	1.6
72.99312	2.6
73.02957	35.6
75.00885	3.0
78.85052	1.5
83.01400	16.6
85.02958	46.7
87.00863	3.7
89.02458	16.2
94.34666	1.5
95.01401	6.1
97.02970	3.9
99.00893	18.4
101.02456	70.7
102.02777	3.2
111.00895	2.1
113.02467	36.7
115.04045	2.7
125.02468	8.5
131.03545	2.9
143.03520	4.2
159.02977	7.0
161.04575	59.3
184.20381	1.9
191.05318	1.9
215.77100	1.7
233.06651	7.0
237.75853	1.7
269.10333	100.0
270.10638	9.9
293.08917	2.6
401.14575	66.2
402.15015	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	401.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.7
59.01388	100.0
60.01717	1.3
60.45761	0.8
61.98837	1.8
69.96381	3.1
71.01395	10.2
72.99317	1.0
73.02939	1.5
83.01417	1.4
85.02957	7.1
85.10963	0.7
89.02457	10.7
94.24078	0.7
99.04499	0.6
101.02465	6.5
113.02465	3.3
116.05103	0.8
119.03533	3.8
135.04463	0.7
146.03748	14.6
161.04633	2.2
161.06136	4.4
162.06505	0.7
163.04056	1.1
164.04799	11.3
165.05383	0.8
179.07152	43.8
180.07475	2.9
191.02072	0.7
196.06117	0.9
209.03136	1.3
216.67268	0.6
221.11847	1.2
343.14209	1.6
368.81573	0.6
401.18341	7.1
402.18707	0.7
410.34277	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56470	10.6
57.03436	12.5
59.01395	90.7
65.81726	11.1
69.62427	50.6
69.62839	22.6
71.01396	68.2
73.02956	10.7
73.20171	10.8
73.53175	9.9
83.55845	10.9
85.02951	45.0
89.02456	80.0
101.02429	26.5
113.02489	21.5
115.13835	11.0
119.03492	33.0
179.05562	27.8
209.03055	18.2
240.98602	14.9
281.97971	11.5
341.10825	100.0
342.10910	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	401.1241
Annotation	2-(3,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
59.01379	6.2
60.80307	1.9
61.58634	2.1
68.99815	5.9
71.54382	3.1
75.00880	24.5
88.65874	2.6
101.02431	2.8
103.00376	22.5
104.56425	2.0
107.67886	2.2
109.03002	3.4
109.06628	4.5
111.04527	2.5
117.03500	3.6
119.05029	11.5
121.02967	41.6
139.04034	4.0
143.05060	3.2
145.02957	5.5
157.06641	6.7
158.03749	8.1
171.04486	2.4
177.05557	22.9
181.06598	2.8
185.02432	13.5
186.03239	100.0
187.03711	10.1
198.01137	2.4
201.05583	83.8
202.05922	8.1
211.07785	2.3
224.04807	3.2
224.78838	2.1
225.05617	2.7
233.08244	18.8
240.07686	2.9
241.05014	2.6
255.06625	3.9
261.07700	78.6
262.08026	7.7
283.06226	3.0
297.11267	3.8
310.08508	2.7
313.07126	8.9
325.10895	6.4
357.06165	4.8
373.13000	8.3
401.12524	52.7
402.12628	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	401.1244
Annotation	Paraibanol
Peak:m/z	Relative Intensity
52.01255	1.6
53.94555	1.7
59.01379	5.9
68.99825	2.4
71.01408	1.6
91.01962	1.8
91.71116	1.7
93.03474	2.5
95.01423	2.4
95.55639	1.7
96.99335	7.8
109.02950	4.2
111.00904	5.0
119.05096	1.9
121.02981	39.3
123.00935	8.6
123.04543	7.7
123.08208	4.7
124.01695	7.7
133.06592	2.7
135.04475	2.1
137.02477	6.6
138.06918	2.1
139.00391	15.2
139.04021	3.7
147.04521	1.6
149.02464	8.3
150.03253	1.9
151.00380	13.3
151.04010	3.4
151.07626	1.6
153.01953	5.8
155.10799	6.0
163.00424	4.3
163.07654	3.6
165.01956	21.6
166.99879	7.0
168.00679	5.7
171.04556	1.7
173.06125	2.0
175.04039	3.8
175.07666	2.0
177.01958	16.5
177.05591	3.2
178.02390	1.8
178.06403	2.3
178.88440	1.4
178.99892	2.7
179.07175	3.6
180.00592	1.9
180.07938	1.6
181.01450	9.1
181.06662	3.4
181.08673	5.1
185.11943	2.7
187.04057	3.6
189.05595	2.4
191.07130	3.1
193.01436	53.5
193.05061	2.4
194.01784	3.1
197.11836	1.7
199.04128	2.0
205.05087	7.0
207.06639	21.7
208.07388	11.1
209.08220	2.5
214.02771	2.8
217.05025	3.0
219.06667	6.0
220.07381	5.5
221.04594	7.4
221.08134	10.3
223.09775	26.0
225.05656	4.8
227.03430	2.3
228.98079	2.0
234.05368	17.3
235.06120	33.5
236.06911	100.0
237.07375	9.4
243.02896	1.6
245.04845	2.0
247.06226	2.4
249.07741	15.5
251.09256	6.1
255.03038	4.3
259.06131	5.6
263.05603	18.2
264.06393	8.1
271.02539	1.9
273.03958	2.1
277.07217	37.9
278.07663	2.4
279.08725	15.8
280.09076	2.2
283.02371	3.1
283.22812	1.6
289.03827	1.6
299.01868	3.8
309.20691	1.9
313.07242	10.1
323.09302	9.5
324.09915	3.3
325.10968	2.0
327.21829	4.8
339.12439	2.3
341.10736	1.9
342.11172	4.0
351.08655	3.0
352.09525	7.8
353.10132	2.0
357.06177	3.4
357.13385	2.4
358.10596	34.3
359.10883	3.9
368.09030	7.2
373.09027	1.1
373.12933	43.9
374.13315	4.3
383.11386	68.5
384.11655	10.4
386.10184	2.0
401.08627	5.0
401.12918	23.2
402.13184	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	401.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92874	1.5
57.03445	7.3
58.87748	1.6
59.01389	100.0
63.68755	1.6
70.12631	1.6
71.01395	14.8
71.54637	1.7
73.02949	3.2
75.00887	2.7
81.03464	1.7
83.01398	6.3
85.02962	8.9
89.01970	1.9
89.02444	10.5
93.03434	2.7
95.01418	3.5
97.02975	1.6
99.00938	2.9
101.02467	12.0
107.05048	1.8
109.02948	7.6
113.02454	7.2
119.03524	2.3
121.02966	5.5
123.04536	2.3
123.08225	2.4
124.01711	2.6
125.02464	22.9
134.04776	1.7
137.02449	32.0
138.03267	23.8
149.02434	2.8
149.06004	2.3
151.04028	2.1
154.19981	1.6
159.04550	2.8
161.02477	2.3
161.04657	2.7
161.06186	2.2
163.03989	3.5
164.01091	1.7
164.04785	2.1
165.01953	32.8
165.05528	1.5
166.02731	41.9
167.03406	5.0
170.02248	3.6
175.04033	3.1
177.01878	5.1
177.09164	1.7
179.03540	2.5
179.07149	5.5
185.06021	2.1
189.05557	2.2
191.10776	2.2
199.04033	3.5
199.07794	1.6
205.05096	2.5
212.05168	1.7
213.05537	1.8
214.98338	1.5
217.05089	3.2
217.08714	2.2
218.05713	2.0
225.05351	1.5
235.09825	4.0
241.05125	3.3
245.08249	2.3
259.06107	3.0
260.06564	1.6
275.05533	2.3
285.04117	7.0
286.04666	1.9
303.05035	21.2
304.05814	10.7
359.17023	1.8
383.11526	5.8
401.12173	11.3
401.18149	28.4
402.13086	2.7
402.18356	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	401.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05345	2.5
57.03457	6.1
58.10976	2.6
59.01385	88.8
64.19312	2.8
64.28117	3.2
69.62846	2.8
71.01389	36.4
71.54693	4.5
73.02962	7.8
81.03479	3.0
83.01392	6.3
85.02962	14.7
87.00896	5.8
89.02456	22.4
95.01389	3.8
97.02950	7.6
99.00868	5.5
101.02448	16.4
107.05026	21.3
109.02979	6.4
113.02438	8.9
119.03529	5.3
121.02969	8.8
123.04517	3.1
125.02440	30.8
135.04495	7.6
137.02464	36.3
138.03223	19.9
161.02440	6.3
161.04594	6.1
165.01970	31.4
166.02730	45.8
167.03441	4.7
168.29617	3.2
175.04050	5.5
177.01888	7.4
179.03513	100.0
180.03859	6.9
181.08679	3.7
185.06068	3.6
190.06355	11.8
201.07347	3.0
217.04958	3.7
217.08644	6.2
219.06744	3.3
219.10284	14.5
221.11786	4.4
231.02850	3.2
231.19891	3.4
235.06218	5.1
235.10045	3.3
259.06226	4.6
275.05576	4.6
281.51019	3.3
285.04129	7.2
286.04865	5.7
303.05130	30.1
304.05765	13.6
383.13110	7.1
401.13324	11.3
401.18887	3.8
413.33640	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	401.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.5
59.01383	10.0
65.00327	1.0
69.05558	0.7
71.01398	7.7
71.55551	1.3
72.99337	1.0
73.02946	2.4
75.00900	0.9
77.03983	3.3
79.01891	2.0
83.01399	1.7
85.02970	5.4
89.02440	3.6
93.03489	4.7
97.02981	1.0
99.04507	0.9
101.02473	4.7
105.03477	2.6
107.01337	1.2
109.02980	1.1
112.39617	0.8
113.02450	2.5
117.03480	17.9
119.05030	2.3
121.02987	5.8
122.02477	1.6
123.04516	1.1
125.02454	3.3
133.02969	1.9
135.04546	7.3
137.02467	5.1
138.03215	2.1
145.03003	1.8
147.04547	1.9
149.02464	3.7
151.04019	1.0
159.04533	4.0
161.02490	9.2
161.04605	1.3
163.00415	1.8
163.04022	8.6
165.01930	5.4
166.02713	1.0
173.06073	1.0
175.00414	0.9
175.04063	1.9
177.01895	2.1
179.03461	2.7
183.07959	0.7
184.34740	0.7
185.02534	1.0
191.01971	1.2
191.03496	4.3
193.01398	1.2
195.04507	0.8
197.05997	2.3
203.03532	2.0
211.07591	1.0
213.05663	1.3
215.07098	1.2
217.08751	0.9
224.04773	1.4
239.07117	2.1
239.12944	2.1
253.05116	0.9
256.30045	0.9
267.06601	1.0
268.03845	4.4
269.04407	5.5
281.04614	6.8
282.05331	3.9
283.06140	70.6
284.06522	7.8
293.04507	3.7
295.06235	2.1
295.54395	0.8
303.05029	1.0
311.05652	100.0
312.06003	11.9
314.04102	1.0
323.05685	7.0
339.05124	1.0
341.06726	12.1
342.07050	1.0
347.05835	0.9
387.10977	1.8
387.87418	0.8
401.08768	95.5
401.17206	15.1
402.09076	13.9
402.13867	0.9
402.18359	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56835	0.9
52.15432	0.8
55.01875	2.0
56.35145	0.8
57.03450	1.7
59.01391	10.1
65.00353	0.8
67.59420	0.7
69.44416	6.5
71.01391	6.7
73.02941	2.6
77.03983	5.3
79.01900	1.8
81.03461	0.9
83.01388	2.4
85.02971	5.9
87.00887	0.9
89.02444	2.5
93.03485	4.9
95.01381	0.9
97.02992	0.8
97.91381	0.8
101.02444	4.2
105.02306	0.9
105.03478	1.4
107.01376	1.4
109.02940	1.7
113.02441	1.9
117.03476	17.9
119.03520	0.9
119.05035	2.6
121.02974	4.8
122.02489	1.3
123.04506	1.3
125.02447	4.2
133.02977	2.1
135.04518	6.5
136.01724	0.9
137.02489	6.6
138.03194	2.8
145.02977	0.9
146.28752	0.8
147.02979	1.1
147.04538	2.3
149.02478	4.4
151.03979	0.9
159.04486	5.1
161.02466	10.6
161.04565	1.9
163.00374	2.2
163.04036	6.3
164.01172	1.1
165.01953	7.0
166.02675	1.4
167.03445	1.5
173.02383	1.5
173.06120	0.9
175.03966	1.4
177.01862	2.0
179.03432	3.8
179.89874	0.8
191.02072	2.0
191.03513	3.4
197.06227	1.1
199.03999	0.9
203.03531	1.6
205.05144	1.0
209.06088	1.0
211.07628	1.3
215.07202	1.5
224.04654	1.1
225.05585	1.6
237.05461	1.0
239.07141	2.7
239.12869	2.4
240.04549	0.9
241.05154	1.0
243.06575	0.9
245.08417	1.1
268.03778	5.0
269.04553	6.9
281.04590	6.9
282.05237	4.1
283.06152	74.6
284.06439	8.1
285.04092	1.6
293.04694	4.5
295.06268	3.0
306.83621	1.0
311.05646	100.0
312.05951	11.4
314.04193	1.5
323.05627	7.0
339.05209	1.5
341.06686	12.2
342.06900	1.1
342.72641	1.1
401.08768	94.1
401.18121	14.0
402.09103	14.1
402.18295	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11212	0.8
58.94017	0.7
69.86571	2.2
69.86987	1.4
73.09038	0.7
78.67616	0.7
97.85637	0.7
117.07090	0.9
131.05229	0.6
133.28421	0.6
156.38977	0.7
175.14981	8.2
177.12856	1.7
179.14514	3.3
201.12796	0.8
217.15988	10.5
219.13986	6.3
219.17409	1.1
229.16032	0.9
297.22226	1.4
355.30081	100.0
356.30408	17.8
399.29077	38.8
400.29385	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	399.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
67.87969	1.1
71.54173	1.4
147.97803	1.0
175.13547	2.0
175.14934	20.3
176.15326	1.2
177.12851	3.3
179.14496	2.4
179.69534	1.1
217.16028	6.9
218.16232	1.2
219.13959	8.9
229.25482	1.2
256.80566	1.2
297.22223	1.8
355.30090	100.0
356.26303	2.0
356.30450	18.1
399.29071	28.8
400.29382	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	399.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24666	0.9
50.67059	0.9
69.18709	9.4
77.78645	1.2
79.05540	2.9
81.03469	31.2
83.05039	1.9
85.74403	0.9
97.15775	0.8
105.07116	4.0
107.05086	1.1
116.92883	1.3
147.08163	4.1
150.71600	0.8
175.14893	1.5
177.13029	1.2
179.14455	7.7
217.16008	2.6
219.17563	89.2
220.17897	9.1
221.15503	1.3
248.66496	0.9
285.22235	5.4
355.30075	70.1
356.30469	9.9
399.29077	100.0
400.29385	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	399.1453
Annotation	CHEMBL1821994
Peak:m/z	Relative Intensity
52.10266	0.5
59.01382	1.4
61.98848	0.8
68.99819	3.1
69.56499	1.2
69.56909	2.8
71.01394	0.7
73.53296	0.5
79.01873	1.2
91.01910	5.9
95.01377	0.8
95.46009	0.6
98.20780	0.6
110.00116	7.8
111.00912	1.5
119.05041	1.5
121.53962	0.6
123.00902	4.9
124.01663	0.9
125.02502	1.0
133.06609	1.6
135.04527	2.5
136.01642	0.7
137.02443	1.6
137.99597	7.8
138.76700	0.6
139.00336	1.1
147.04547	1.4
149.02435	0.9
149.06081	0.5
150.06842	0.7
151.00398	7.8
152.01134	1.0
153.01988	1.0
156.00658	0.8
156.06360	0.5
161.06087	1.1
163.00389	10.1
163.04024	10.9
164.00821	0.9
165.01921	2.3
165.05544	0.6
165.99124	1.6
177.05623	3.5
178.06383	10.2
178.99974	4.5
179.07066	2.3
189.02026	0.9
189.05577	1.1
190.26387	0.6
190.99878	2.1
191.03505	9.3
193.01440	2.2
205.05081	1.9
206.05861	6.0
207.06621	6.6
208.07368	3.1
215.03491	1.6
216.04257	1.1
217.05125	1.3
219.03067	2.1
219.06706	0.7
221.29759	0.6
227.03578	0.8
233.04498	0.8
234.05354	69.7
235.05896	7.9
236.06888	2.2
263.05655	2.6
273.07721	0.7
295.09802	0.7
313.07162	1.0
328.13315	1.2
339.12830	0.7
356.12469	2.9
367.12082	1.5
384.08432	1.0
384.12332	7.8
385.12543	1.2
399.14529	100.0
400.14868	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	399.2392
Annotation	Bonactin
Peak:m/z	Relative Intensity
55.01875	6.7
57.03444	6.4
58.00596	1.7
59.01386	46.3
59.68176	1.2
62.63197	1.4
63.27548	1.2
63.96232	1.8
71.01392	100.0
71.54790	2.2
72.01711	2.7
72.99304	4.6
73.02957	35.3
75.00887	2.6
83.01402	15.9
85.02962	51.2
87.00880	4.7
89.02456	13.4
95.01406	7.2
97.02955	2.8
97.06582	1.7
99.00907	18.0
101.02454	77.7
102.02825	1.7
113.02462	44.9
116.07176	5.2
119.03509	4.8
119.05030	1.9
125.02441	2.8
125.09738	3.6
129.01884	2.8
135.04558	3.5
143.03500	7.5
159.03032	11.6
161.04572	67.4
162.04961	1.6
171.10284	5.6
179.03517	2.1
189.21248	1.2
196.59100	1.4
205.03613	2.1
215.12904	4.2
271.17487	3.2
337.23810	3.9
339.12787	1.7
355.24893	4.4
381.22815	3.1
399.23880	89.7
400.15985	1.7
400.24445	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	399.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69425	1.0
59.01389	2.1
61.98830	1.8
68.99810	4.7
71.53745	1.5
83.01405	1.9
86.00909	1.0
90.38387	1.0
91.01915	7.5
93.03500	1.7
104.04581	1.1
108.02209	1.1
110.00108	9.1
121.03001	1.5
123.00912	3.8
124.01682	1.5
133.06628	4.1
134.03735	10.1
135.04526	9.8
137.02455	2.1
137.99611	9.5
149.02441	2.9
149.06071	6.5
151.00417	10.0
152.01186	2.4
163.00383	14.0
163.04013	13.4
165.01978	1.7
177.01952	2.1
177.05580	4.7
178.06393	12.9
178.99933	4.8
179.07079	2.7
189.05573	2.0
190.23206	1.1
190.99957	4.7
191.03499	8.2
191.07184	4.6
192.07927	1.5
193.07332	1.3
205.05063	6.3
206.05872	7.8
207.06676	9.0
215.03491	1.3
216.04312	1.8
217.05026	1.8
219.03284	1.8
219.06670	10.1
220.07458	5.5
232.03754	1.5
233.04587	3.5
234.05357	46.4
235.06071	16.7
236.06679	1.4
247.06042	3.3
248.06923	9.7
249.07692	4.5
275.09222	1.2
288.06287	1.3
327.91101	1.1
329.02835	1.5
339.12643	3.0
341.06631	2.3
356.08862	1.5
370.23605	1.2
371.11362	1.2
384.12225	57.6
385.12570	6.4
399.14603	100.0
400.10223	1.8
400.14917	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	399.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44183	0.7
54.65089	0.8
55.01886	4.1
57.03450	4.0
58.00602	2.2
59.01384	58.7
69.71512	2.2
69.71929	2.6
71.01389	52.2
72.01762	1.3
72.99307	2.6
73.02955	15.0
75.00876	1.9
81.03497	0.9
83.01393	8.9
85.02958	25.7
87.00895	2.1
89.02450	25.3
95.01407	3.7
97.02981	1.5
99.00888	8.6
101.02454	47.1
102.02769	1.1
111.00911	1.6
113.02464	22.3
115.04005	1.1
119.03504	9.3
121.02976	8.3
121.69980	0.8
125.02502	1.7
129.01941	1.0
134.03711	1.8
143.03490	3.2
159.02991	3.9
161.02487	1.9
161.04567	32.6
165.01884	1.6
175.04039	1.5
179.05612	1.1
183.03226	0.9
185.77022	0.9
191.01958	1.7
193.05106	1.7
205.03397	1.1
219.10306	1.4
223.04446	1.1
237.11397	0.9
251.11369	100.0
252.11700	6.9
279.08783	5.5
309.09760	2.0
316.98459	1.1
399.07214	3.1
399.12939	5.7
409.18884	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1449
Annotation	CHEMBL1821994
Peak:m/z	Relative Intensity
51.26659	1.6
54.90607	1.5
58.78528	1.9
59.01376	2.9
59.75403	2.2
71.55003	1.8
80.38665	1.9
80.39105	1.7
119.05034	7.6
121.03014	1.8
135.04561	1.8
136.01686	3.2
137.02432	2.2
147.00911	3.3
147.04562	4.7
148.01549	1.7
149.02440	3.3
150.03276	5.4
151.00366	1.8
161.06117	7.7
163.00386	1.9
163.04063	2.2
165.01978	4.0
165.05626	2.0
173.06013	2.1
175.04053	4.5
175.07686	2.9
177.01982	11.0
189.05623	2.3
190.06367	4.6
191.03540	6.5
191.07085	10.8
192.07925	5.8
193.08670	9.6
207.06602	4.5
217.05138	2.7
218.05829	4.5
219.06622	36.0
220.07332	7.5
233.08243	6.6
235.06174	2.1
247.06142	10.7
253.05119	1.7
261.07730	5.6
314.04868	1.9
323.09299	3.7
339.12720	4.2
351.08871	6.6
356.12494	8.9
366.11255	2.7
377.50116	2.0
381.54193	1.8
384.12274	2.9
399.14636	100.0
400.14969	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54301	0.8
55.01888	4.2
57.03455	19.6
57.55038	0.9
58.83104	0.9
59.01386	5.4
67.01891	1.8
71.01378	7.2
71.01949	2.3
72.99319	1.3
73.02947	2.5
75.00871	2.5
78.95916	1.0
79.22862	1.0
79.93127	0.8
83.01395	11.9
84.02171	3.3
85.02959	100.0
86.03295	2.9
87.00909	1.6
89.02466	2.1
93.34865	0.8
99.00896	1.5
101.02438	6.2
103.00344	1.0
111.00893	27.8
112.01207	0.8
113.02437	1.1
117.03452	1.7
119.15092	0.8
129.01961	38.6
130.02309	1.3
134.03766	17.3
137.02391	1.0
143.03448	1.3
149.02516	0.9
149.06120	2.2
152.99623	0.9
161.04552	2.5
162.03241	1.3
175.04112	0.9
177.05545	1.4
187.02477	1.6
191.01944	0.9
193.05043	11.1
205.01659	1.6
205.03531	24.1
205.05431	1.2
206.03796	2.0
211.86635	0.9
217.98553	3.3
219.24509	0.8
221.12100	1.2
223.02533	1.5
223.04611	19.0
224.04881	1.1
381.04669	1.1
399.05481	1.5
399.13144	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34050	1.1
55.01875	4.2
57.03455	13.9
59.01388	9.6
68.99838	1.3
69.38973	1.8
69.39316	9.0
71.01386	8.8
72.99300	2.1
73.02941	2.3
75.00893	5.7
79.76939	0.9
83.01398	13.5
84.02151	2.7
85.02964	85.0
86.03297	1.5
87.00881	3.0
99.00845	1.3
101.02469	6.6
103.00358	1.5
103.04018	1.6
105.05550	1.0
111.00889	32.6
114.05630	1.0
117.03447	1.6
123.04497	1.1
129.01956	36.0
130.02293	1.4
134.03754	20.5
143.03493	3.0
147.02983	3.5
149.06111	2.6
161.04601	2.3
175.03964	1.4
187.02440	1.8
191.01991	1.7
193.05077	13.6
195.06607	1.9
205.01685	1.8
205.03549	34.8
214.89583	1.1
223.04614	100.0
224.04930	4.6
310.37070	1.0
343.67465	1.1
355.14072	2.0
356.16425	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46067	0.4
59.01395	1.0
60.31533	0.5
61.98828	1.0
64.07189	0.4
65.00327	0.7
69.82533	0.4
70.66988	1.4
71.32036	0.4
77.03975	3.6
79.01897	3.3
83.01430	0.5
93.03458	0.9
97.02953	2.6
106.95785	0.5
107.01395	0.7
108.02168	1.2
108.96841	0.4
109.02945	0.8
113.02455	0.6
119.05040	1.4
121.02975	10.1
123.00884	1.0
135.00902	1.7
136.01680	8.0
137.02469	3.9
138.03209	1.5
139.04028	1.5
148.01675	3.4
149.02454	5.2
150.03195	0.8
159.34058	0.6
161.02466	0.7
163.00397	13.8
163.04068	0.6
164.01193	5.3
165.01949	11.0
166.02504	0.5
173.06068	1.1
175.00360	1.0
176.01112	2.0
177.01927	2.0
178.02721	2.3
183.03084	0.8
190.99904	1.4
197.06050	0.7
199.04005	0.7
204.00668	0.5
215.03522	0.6
217.04988	0.6
227.03497	0.9
229.04921	1.1
230.05721	1.0
240.04044	0.6
241.05106	3.0
242.05638	0.6
243.02927	0.9
257.04483	2.0
258.05243	0.8
268.03711	0.7
269.04510	2.0
285.03983	2.5
286.04919	0.7
295.02310	0.6
297.04065	1.3
313.03552	13.0
314.04333	58.1
315.04675	5.5
325.03738	0.7
328.05930	1.6
329.06680	22.6
330.06955	3.0
339.12656	1.0
360.04880	9.8
361.05295	1.0
366.07309	2.0
367.08209	0.6
381.09753	3.5
384.08530	0.6
399.10852	100.0
400.11194	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	4.1
55.60499	1.1
57.03456	19.2
59.01370	3.2
61.98838	1.9
68.99792	1.0
69.21974	8.6
71.01385	8.2
72.99321	2.6
73.02958	2.8
75.00877	2.5
76.33676	1.1
83.01395	9.2
84.02186	2.3
85.02962	100.0
86.03287	2.0
87.06187	0.9
101.02478	4.6
111.00897	28.7
116.62185	0.9
117.03480	1.4
125.02499	1.4
129.01961	43.5
134.03758	12.0
147.03101	1.1
149.06082	1.9
161.04588	3.2
175.04010	1.7
187.02477	2.2
193.05130	8.2
205.03558	27.9
223.04619	23.1
241.34729	1.2
251.81418	1.1
325.85437	1.0
399.09433	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35589	1.1
55.01881	3.8
57.03455	19.5
59.01388	11.1
59.03172	1.1
61.98840	11.6
63.74651	1.2
67.01871	1.6
69.55314	4.0
69.55723	4.3
71.01391	13.5
72.99314	3.0
73.02958	2.7
75.00872	3.3
83.01397	10.0
84.02184	2.5
85.02961	93.8
86.03326	2.1
87.00884	3.2
89.02451	3.2
98.20638	2.5
101.02449	9.0
102.02875	1.1
103.00349	1.8
111.00895	34.9
113.02487	1.5
119.03517	1.7
129.01961	33.7
131.03551	2.0
134.03745	11.5
141.48267	1.3
143.03644	1.5
147.02974	3.9
161.04573	3.8
165.58350	1.3
193.05058	4.3
201.09326	1.2
205.03543	35.7
211.79114	1.3
223.04610	100.0
224.04935	4.1
323.23877	1.3
346.26022	1.3
399.16614	2.7
424.11118	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20824	1.4
56.14148	1.4
59.01387	100.0
60.01707	2.6
61.92676	1.8
71.01401	3.1
71.54881	1.9
89.02442	2.0
95.56638	1.2
99.92594	1.9
101.02482	3.4
106.13240	1.7
123.00653	2.9
148.93318	1.4
159.01523	2.5
197.19110	9.3
225.22255	3.3
237.22156	2.1
255.23332	17.4
256.23611	1.8
292.65665	1.6
297.24561	2.4
315.25424	83.4
316.25668	10.3
337.22345	5.0
339.08856	3.4
397.13315	6.9
397.25507	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	397.3325
Annotation	Lauroyl peroxide
Peak:m/z	Relative Intensity
69.47549	1.5
74.02475	2.0
79.95749	2.2
83.05019	1.9
96.96011	7.0
98.20672	4.6
119.31035	1.7
149.73796	1.8
185.90410	1.6
335.33221	67.7
336.33691	9.1
379.32138	19.0
380.32635	3.1
397.22675	8.2
397.33289	100.0
398.33487	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	398.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56612	0.4
59.01385	0.7
59.38373	0.4
61.98837	84.8
69.95468	2.4
75.95365	0.4
82.50019	0.4
83.01423	1.3
84.72898	0.5
93.03482	0.5
97.02981	0.5
98.20647	0.7
100.39594	0.5
121.02985	0.7
123.00916	1.9
124.01685	0.8
137.02463	5.4
138.03264	2.9
139.03995	1.4
151.04012	0.8
156.00658	1.1
165.09224	1.3
170.02222	18.5
171.02530	0.9
187.11497	0.5
188.11607	1.0
189.05521	0.6
205.66029	0.5
207.10277	100.0
208.10637	9.0
211.78923	0.6
234.05380	1.6
236.24110	0.4
236.49455	0.5
313.14471	33.9
314.14838	4.5
354.18393	0.5
384.08640	2.0
398.12225	13.6
399.11029	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	397.1289
Annotation	Dulxanthone E
Peak:m/z	Relative Intensity
53.60961	0.5
59.01380	6.0
68.99817	0.6
70.71355	1.4
71.01384	4.7
72.99324	0.6
73.02936	1.3
74.96333	0.5
75.48190	0.5
81.03438	0.6
81.86555	0.5
83.01388	0.8
84.96953	0.5
85.02945	0.8
87.00885	1.4
89.02444	5.5
93.03470	0.8
94.89569	0.5
95.01389	0.7
97.02962	0.9
101.02439	4.7
109.80569	0.5
113.02459	2.2
119.03490	1.1
121.02957	3.1
123.04523	1.0
125.02453	1.0
126.17221	0.5
131.01372	1.3
132.05803	0.8
136.01659	1.5
148.01671	1.3
149.02429	1.0
149.06042	0.7
153.05569	0.8
161.04581	1.0
163.00357	3.9
163.04001	2.0
163.07649	1.0
171.04462	0.6
173.06033	1.9
175.00385	8.0
175.03914	0.6
176.01132	1.3
187.11282	3.3
188.01137	1.5
191.07156	2.2
203.03404	0.6
204.00616	1.1
213.09154	0.6
217.05060	9.5
218.05557	1.1
220.00241	0.7
225.05588	0.7
235.08247	1.0
239.03458	0.8
240.04333	1.2
245.04588	1.6
251.03331	0.8
252.04346	1.3
253.04999	1.3
264.04385	0.6
265.04996	1.8
267.03110	0.6
267.83096	0.5
268.03696	1.4
280.03754	0.8
281.04538	0.6
283.06067	0.9
284.03311	3.4
296.03140	0.8
299.05692	1.9
308.03281	1.8
309.04025	1.5
311.05649	5.7
312.02780	1.2
323.22165	0.8
324.02722	2.2
324.06317	0.6
327.05099	14.0
328.05338	1.2
339.05057	15.4
339.08792	11.5
340.05426	1.6
340.09192	1.3
353.10358	1.9
367.03635	1.2
367.08249	25.1
368.08591	4.4
381.09802	3.1
382.10590	14.3
383.10919	1.7
397.12952	100.0
398.13269	15.6
398.18478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1295
Annotation	Dulxanthone E
Peak:m/z	Relative Intensity
59.01374	4.3
71.01388	3.9
71.54517	1.6
73.02958	1.2
76.95371	1.1
85.02933	1.2
87.00909	1.2
88.92834	0.9
89.02448	3.5
93.03477	2.5
101.02462	4.0
103.97882	1.0
113.02466	1.6
119.03515	1.3
123.04523	3.9
125.02425	1.4
133.02954	2.9
133.06587	1.8
138.77933	1.0
177.05525	2.2
189.05565	2.5
189.99240	1.0
191.07184	1.7
201.05484	1.4
203.00130	1.1
205.05103	4.4
212.04836	1.1
218.37386	1.0
233.04625	2.2
234.05333	1.3
240.04323	1.2
252.04079	1.3
268.03720	1.6
270.01682	6.2
279.06900	1.3
283.02606	3.1
283.09766	2.4
284.03271	5.3
286.75162	0.9
293.84174	0.9
295.02536	2.8
295.09760	2.9
296.03296	5.5
311.05688	2.7
311.09070	1.3
323.02191	1.1
324.02728	1.9
327.05032	2.0
339.08755	74.6
340.09164	8.7
341.87509	1.1
367.08276	19.3
368.08704	2.5
381.09802	3.0
382.10602	33.7
383.10980	5.2
397.12970	100.0
398.13370	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	397.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30715	0.7
59.01376	2.4
61.98830	1.7
63.02402	6.5
65.00020	1.0
65.00334	15.6
69.48273	5.1
83.01403	9.1
96.96036	0.7
100.00613	0.7
106.04217	0.8
107.01406	23.1
108.01771	0.8
125.02493	0.9
132.05818	12.5
137.02531	1.0
144.46571	0.7
151.00383	65.3
152.00746	2.9
161.09747	3.7
164.04800	8.0
165.01945	5.1
165.05417	0.7
169.01445	3.0
173.09358	0.6
177.01949	4.2
187.11311	45.4
188.11658	3.6
207.10292	1.7
213.09236	1.1
253.12199	1.0
255.10204	1.6
328.05743	0.8
339.12396	100.0
340.12711	11.8
397.07535	1.7
397.16953	1.0
398.08157	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38799	3.9
55.66027	3.2
57.03434	3.8
57.11740	3.3
59.01370	11.7
61.98832	4.0
69.22052	13.5
69.22478	18.9
71.01376	14.2
72.28835	3.4
72.99297	4.8
81.03465	4.4
85.02949	7.4
87.00909	4.7
95.18136	3.5
105.01979	3.8
105.90116	3.3
114.32849	3.5
115.00355	3.6
117.74669	3.2
122.06111	12.3
123.04556	37.9
134.03709	9.2
145.01443	32.4
145.05354	8.6
146.06056	6.1
159.03201	4.1
160.04056	34.3
160.48044	3.6
161.04813	17.1
163.11304	12.3
165.09206	5.3
175.03984	7.0
176.03564	6.1
177.04364	6.3
189.04321	59.0
191.07150	3.9
193.03642	6.9
193.05217	5.2
195.95796	3.6
207.10268	42.2
208.10719	4.2
221.03346	15.0
221.06906	18.6
233.08173	15.9
253.05939	9.2
255.11398	14.1
267.11423	23.8
273.13223	3.5
277.07077	3.7
281.40247	3.5
299.10361	11.3
311.10397	30.8
329.11267	9.3
331.12943	14.4
343.08951	5.6
343.13010	80.4
344.13251	10.1
353.12521	26.8
361.14108	100.0
362.14240	9.7
397.11423	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	397.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31083	0.6
60.74646	0.6
63.02383	1.1
65.00339	6.5
67.36518	0.6
68.99812	0.7
70.43437	0.6
70.57054	1.9
93.03462	4.8
97.80671	0.6
108.02173	1.0
108.66900	0.6
109.06609	2.9
116.66354	0.6
119.05041	55.0
120.05354	3.0
131.08649	1.4
133.06610	13.9
137.02396	0.8
145.02986	2.1
149.06082	0.8
151.07642	6.2
164.64207	0.6
175.07639	6.1
176.01173	5.4
177.01886	1.4
187.04005	3.1
191.07138	1.9
193.08752	1.2
211.53683	0.7
219.06644	43.3
220.06941	3.6
233.08188	4.9
245.08154	1.4
246.73914	0.6
295.13562	1.2
327.05124	0.7
339.12393	100.0
340.12747	11.5
355.08267	0.9
392.76361	0.7
398.10074	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.7
61.98846	3.5
63.02404	6.4
65.00333	11.2
69.80447	3.9
83.01399	7.1
89.02473	0.7
89.67519	0.7
91.39237	0.8
106.04244	1.1
107.01408	20.1
121.03021	1.5
121.08089	0.7
125.02427	1.4
132.05820	12.2
151.00380	55.2
152.00752	1.6
161.09715	4.6
164.04803	7.3
165.02003	2.8
169.01430	2.5
177.01939	5.3
187.11299	43.4
188.11658	2.5
205.01285	0.9
207.10304	4.1
313.14456	1.8
339.12384	100.0
340.08847	1.5
340.12698	13.7
397.08401	1.6
397.16766	2.7
398.17151	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.3486
Annotation	C6 ceramide
Peak:m/z	Relative Intensity
60.10583	1.1
65.80855	1.0
73.02950	9.0
77.68353	1.1
81.49006	1.2
83.28004	1.0
96.96029	4.3
98.20655	3.1
102.05623	74.3
103.05962	3.4
121.16330	1.1
122.77972	1.7
124.91047	0.9
229.12718	1.5
310.31168	40.7
311.31454	6.3
354.30167	3.8
396.34860	100.0
397.22662	4.5
397.35199	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	397.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40072	0.6
54.78434	0.6
59.01384	1.6
60.26707	0.6
71.01375	1.8
75.87160	0.7
93.03499	1.2
98.29549	0.6
101.02417	0.8
106.04297	1.1
111.34225	0.7
117.03459	1.4
119.05042	84.9
120.05376	3.3
121.47379	0.7
130.04262	2.4
135.04529	1.6
143.05019	1.0
145.02980	1.9
145.06598	7.6
149.02451	0.8
157.06581	2.5
160.05431	0.9
161.02496	1.1
161.06042	0.8
163.04100	0.7
189.05602	9.9
191.07169	1.7
201.05721	1.5
207.06657	2.5
219.06625	31.0
220.06932	2.6
233.54732	0.7
237.07698	7.0
267.06418	0.7
309.11185	3.6
339.12390	100.0
340.12738	13.4
397.08441	1.6
397.13016	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	396.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02987	39.7
59.01377	2.6
66.37144	1.3
69.00959	2.0
70.33579	5.5
71.01389	36.0
81.03459	2.5
85.04084	35.7
87.00829	2.0
88.04050	42.6
96.99935	4.6
98.20535	1.6
105.01934	2.4
109.04105	2.1
111.11821	1.2
113.07152	2.1
115.00404	2.3
123.01512	20.6
123.04513	21.4
123.08099	2.4
125.03053	2.6
126.03838	32.2
127.05148	88.4
138.03848	5.4
139.05142	1.8
139.11319	2.8
145.01436	20.6
145.05264	1.7
149.02444	1.4
152.05421	42.5
153.05737	1.8
157.06213	22.5
157.93033	1.4
160.03992	2.5
161.04814	1.8
163.11328	6.9
165.09230	3.6
175.46516	1.3
177.04361	1.5
179.04729	1.6
183.69637	1.7
189.04324	5.9
192.08063	1.3
194.06473	4.1
199.07265	56.9
200.07658	1.7
207.10280	25.4
211.09123	6.8
219.09901	1.8
221.06924	2.5
233.08281	9.1
237.10670	1.8
247.09795	2.1
250.73012	1.6
251.09186	1.5
255.11368	1.8
262.10257	2.7
263.09119	1.6
265.10739	2.1
267.11404	2.4
268.55984	1.4
279.21674	1.4
280.11328	18.4
281.11682	1.7
306.09164	2.0
311.10367	4.3
343.12939	7.9
352.13382	18.5
353.12418	21.9
361.14191	10.5
378.11490	2.0
396.12378	100.0
397.12689	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	395.1923
Annotation	Creoside IV
Peak:m/z	Relative Intensity
55.01888	5.4
57.03441	3.6
58.00599	1.0
59.01387	34.6
69.77459	6.1
71.01387	61.1
72.01701	1.3
72.99316	1.8
73.02956	32.1
73.03803	1.0
75.00867	1.6
81.03413	1.3
83.01391	11.6
85.02961	33.7
86.00087	1.4
87.00874	4.0
89.02460	12.5
95.01414	5.6
97.02952	2.3
98.19854	1.1
99.00876	10.5
101.02453	62.6
102.02798	1.3
111.00869	1.3
113.02457	23.4
115.04034	1.4
125.02430	3.1
129.01901	1.1
131.03503	2.7
143.03482	4.2
149.04593	1.7
159.02992	4.9
161.04564	25.3
172.35500	1.0
188.44780	1.1
233.06627	2.8
233.16653	1.5
256.71851	1.4
263.15005	98.7
264.15399	7.0
307.13919	1.2
315.83972	1.1
395.19202	100.0
396.19507	9.1
408.69748	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1925
Annotation	Creoside IV
Peak:m/z	Relative Intensity
52.52661	0.4
54.71783	0.4
55.01884	7.0
57.03451	4.5
58.00593	1.1
59.01385	37.0
59.93574	0.4
60.01723	0.7
61.98839	0.8
68.99823	0.5
69.03461	1.8
69.45633	2.6
71.01390	53.2
72.01731	1.2
72.99315	1.8
73.02955	28.4
75.00876	1.4
80.60528	0.4
83.01395	13.0
84.02154	0.4
85.02959	28.3
86.00121	2.6
86.03290	0.4
87.00890	3.0
89.02452	10.3
95.01385	3.9
97.02989	2.8
97.05598	0.4
99.00893	11.5
99.08174	0.5
100.07301	0.4
101.02455	57.1
101.09732	1.0
102.02804	1.1
106.10800	0.4
106.11661	0.5
109.03008	0.4
111.00897	1.6
113.02460	21.1
114.02748	0.6
115.04023	1.7
125.02476	3.1
129.01936	1.2
131.03513	2.8
141.01935	0.6
143.03523	2.7
143.10706	0.4
149.04570	1.6
159.02997	3.9
161.04576	20.2
162.04973	0.7
169.71921	0.4
171.10367	0.7
191.05640	0.5
203.03630	0.9
214.02774	0.6
216.04335	0.7
225.60109	0.4
228.04285	0.8
231.02962	0.6
232.03769	2.8
233.06602	2.0
247.09796	0.8
263.15015	100.0
264.15363	7.0
272.03320	0.7
275.09335	1.0
300.02798	7.0
301.03210	0.9
315.05133	15.2
316.05548	0.9
365.97577	0.4
395.19238	57.7
396.19598	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	395.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
58.00594	3.1
59.01385	76.5
69.03471	6.7
69.60088	8.5
71.01387	71.2
72.99318	3.9
73.02953	12.7
74.51988	1.1
75.00877	3.4
81.03462	3.3
83.01407	4.8
85.02979	9.5
87.00883	3.3
89.02455	100.0
90.02808	1.9
95.01395	3.3
97.02956	10.4
99.00903	16.9
101.02459	24.0
101.06095	47.5
102.06381	1.6
109.51559	1.4
113.02426	8.0
115.04025	3.5
115.07674	3.0
119.03532	3.2
119.04981	2.8
125.01534	2.1
125.02460	34.2
125.06087	1.8
126.02834	1.5
127.03957	1.5
131.03514	12.9
143.03534	3.2
143.07117	6.3
149.04558	22.8
161.04546	2.7
173.08191	2.3
191.05638	10.2
233.06665	18.8
235.40631	1.3
248.09189	2.1
293.08798	25.5
294.09122	2.5
395.19043	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	395.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28236	0.7
57.03439	1.5
59.01374	2.0
61.01018	4.0
61.29121	0.7
68.99814	1.4
71.01379	2.4
71.53013	1.0
72.99314	3.5
73.02930	0.9
73.70009	0.6
75.00881	2.0
75.02575	2.0
78.95911	3.8
83.01409	1.6
85.01033	4.0
85.02924	0.9
87.00904	1.3
87.04558	1.3
89.02458	1.9
96.96980	4.0
98.00065	0.8
99.00871	2.7
99.02580	1.8
99.99763	0.7
101.02470	3.7
103.02068	0.9
111.00909	0.8
112.98835	5.7
113.00539	0.6
113.02490	0.9
114.98460	2.0
115.00419	0.9
115.01415	0.6
115.02083	4.0
124.98793	1.9
127.02048	1.2
129.01903	1.2
129.03696	1.3
131.03499	1.2
142.99866	1.8
143.01547	1.5
145.01430	3.6
154.99823	1.0
157.01445	3.6
157.03137	17.2
158.03537	0.7
171.01118	5.4
173.00859	0.8
175.04187	5.6
187.02505	1.8
189.05766	4.7
199.00644	1.0
217.05196	3.2
247.02657	4.0
247.06377	0.8
248.98576	0.6
254.62270	0.7
259.06268	1.4
259.27975	0.6
263.05847	12.0
264.06161	0.9
303.05331	2.2
363.07452	1.9
395.10049	100.0
396.10489	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	395.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.1
61.20502	0.5
61.98823	1.5
68.99838	0.4
69.95081	1.6
76.05750	0.5
83.01410	0.6
85.77390	0.6
86.97245	0.4
91.58295	0.4
93.03474	2.2
95.01406	0.9
96.96029	0.5
110.29223	0.5
119.05051	1.1
123.00909	1.8
124.01692	0.6
137.02460	13.9
138.03287	3.4
139.04002	0.4
146.08727	0.6
151.04027	1.2
152.65559	0.4
153.01924	1.0
156.00685	1.6
165.09201	1.3
170.02226	18.2
171.02539	0.6
179.03296	1.5
193.01187	2.8
207.10275	100.0
208.10626	7.9
219.10240	0.9
223.02281	0.6
231.93669	0.4
247.09567	2.7
261.07474	1.2
291.08566	1.9
313.14490	38.2
314.14752	4.8
335.12671	33.6
336.12991	5.1
351.19196	0.6
353.13733	1.7
395.18704	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1505
Annotation	Rheediaxanthone C
Peak:m/z	Relative Intensity
59.01383	4.4
65.00333	17.2
89.00340	5.6
91.01891	2.7
96.96037	4.2
97.02965	12.3
119.05017	5.3
121.02953	5.2
146.06317	3.2
146.07399	39.2
147.07695	2.7
149.99602	4.6
152.04869	2.1
164.01273	1.5
165.01955	83.2
166.02266	3.7
166.63501	1.7
175.11407	2.7
178.04832	3.2
178.06372	52.8
179.06685	3.9
201.12877	87.7
202.13194	6.1
203.10837	3.3
210.90741	1.8
211.11295	2.7
229.12363	100.0
230.12643	8.9
255.10347	2.3
395.14941	89.4
396.15366	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	393.2136
Annotation	JBIR-56
Peak:m/z	Relative Intensity
53.44215	0.6
55.01888	1.4
57.03455	2.2
58.00618	0.8
59.01387	100.0
60.01711	1.5
62.63196	0.8
66.28436	0.7
69.35941	6.3
71.01388	26.3
72.99323	2.2
73.02961	5.2
79.69495	0.7
80.10410	0.6
83.01394	3.8
85.02951	11.5
87.00906	1.8
89.02452	17.5
89.02953	1.3
95.01417	2.4
97.02959	0.8
99.00899	2.1
99.18025	0.7
101.02457	22.4
107.72656	0.8
108.22668	0.7
111.00813	0.7
113.02465	12.9
113.70264	0.7
119.03523	7.4
129.01971	0.9
143.03574	2.0
159.03065	1.2
161.04544	5.7
179.03552	0.9
179.05640	1.4
209.08205	2.5
213.14978	2.7
270.01749	1.8
313.03619	2.8
315.92813	0.9
333.19223	4.9
375.20288	3.5
393.21335	94.2
394.21640	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	395.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.5
60.99313	13.1
62.86144	1.7
66.65697	1.5
71.01405	4.4
72.99359	1.3
75.00887	1.7
79.76314	1.5
83.05029	4.5
85.02979	5.6
87.00900	2.7
88.98820	100.0
89.02477	2.0
98.20766	2.5
99.00883	2.0
101.02473	2.7
113.02482	2.9
129.22823	1.8
145.05072	3.5
209.56091	1.3
211.45659	1.7
249.06113	1.8
256.93115	3.5
260.45950	1.6
312.54547	1.5
395.11816	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	393.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01727	1.5
67.23055	0.5
82.74220	0.5
149.09712	0.7
185.16507	0.6
194.11700	0.5
213.02034	0.5
220.79909	0.5
229.04846	0.6
242.02094	0.9
262.98749	0.6
270.01736	0.6
281.00925	1.0
298.01297	2.8
298.04333	0.5
313.03555	8.3
313.06885	0.8
314.03937	1.0
392.99307	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01738	1.7
60.19041	0.5
61.25144	0.5
63.76282	0.6
67.04788	0.6
71.01398	0.8
85.02944	0.7
88.22091	0.7
94.82321	0.5
98.20762	1.4
119.17323	0.6
127.41510	0.6
134.30151	0.6
161.02493	0.7
228.74837	0.6
229.29964	0.8
261.20294	0.7
313.03796	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01262	0.5
58.78260	0.4
59.01387	100.0
60.01722	1.6
69.85430	2.0
94.26906	0.5
114.81692	0.5
122.78289	0.6
164.33011	0.5
216.52586	0.6
279.96030	0.6
338.26938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1711
Annotation	Cudraxanthone G
Peak:m/z	Relative Intensity
57.03452	1.4
59.01390	1.3
93.03473	3.3
98.19839	0.9
102.26956	0.5
107.05051	1.5
108.02170	0.6
118.47573	0.5
119.05042	100.0
120.05382	3.9
121.02979	0.6
123.08160	2.0
130.04268	0.9
136.01694	0.7
143.05042	2.4
144.05855	2.8
145.02966	1.6
145.06584	2.1
149.02467	2.1
157.06599	1.4
159.08191	4.3
161.02478	2.2
162.03131	0.6
171.08203	0.8
187.11343	1.9
188.04561	0.7
203.07167	1.5
211.11134	0.8
229.12337	1.9
245.08247	0.9
268.07260	0.7
271.13544	0.6
273.11353	26.3
274.11743	2.3
291.12402	7.8
292.12686	1.0
299.13016	1.2
311.68652	0.5
339.24109	0.5
393.17169	71.9
394.12897	1.3
394.17529	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	393.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.5
57.03450	2.3
58.00596	3.3
58.25291	1.3
59.01387	100.0
60.01724	2.0
67.79285	1.3
71.01391	50.8
71.54861	1.5
72.99306	2.6
73.02972	7.1
75.00880	2.9
76.58970	1.2
83.01405	2.0
85.02950	15.3
87.00869	1.6
89.02456	73.9
89.61092	1.4
90.02809	2.0
95.01385	2.1
99.00896	9.0
101.02458	28.6
102.77502	1.6
105.88853	1.3
113.02464	15.5
116.27111	1.3
119.03513	12.4
125.02454	3.1
127.07647	2.9
131.03506	10.8
133.59865	1.6
139.04045	8.6
143.03491	2.6
149.04564	25.7
161.04573	5.4
171.06665	14.3
171.10262	1.8
179.05667	10.6
180.68364	1.2
191.02011	3.3
191.05624	8.4
194.33177	1.5
261.13458	3.2
333.19064	2.1
362.80457	1.3
363.53986	1.4
393.17456	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	393.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57021	0.8
54.37634	0.8
55.01895	5.1
57.03450	2.6
58.00569	0.8
59.01384	32.6
65.76540	1.0
69.03450	0.9
69.13734	0.9
69.90479	4.5
71.01391	51.4
72.99304	2.1
73.02955	27.2
75.00849	1.4
83.01392	11.3
85.02959	24.8
85.44916	0.8
86.00115	1.0
87.00891	3.6
89.02436	9.0
91.69447	0.8
95.01408	3.7
97.02971	2.9
99.00891	10.3
101.02454	53.2
111.00914	0.9
113.02456	21.2
115.04070	1.1
125.02441	3.4
129.01961	2.2
131.03514	3.1
143.03508	2.7
148.85585	0.8
149.04500	1.2
159.02972	5.3
161.04559	20.0
191.89658	0.9
192.25504	0.8
205.03235	0.8
228.77203	0.8
233.06644	3.9
261.13455	81.1
262.13815	5.0
272.73059	0.8
293.08795	0.9
305.12567	1.3
369.14294	1.0
376.47787	1.0
393.17682	100.0
394.17999	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2133
Annotation	JBIR-56
Peak:m/z	Relative Intensity
55.01884	3.8
57.03441	2.3
57.16984	0.8
59.01386	29.3
60.13691	0.8
60.58414	0.9
71.01389	25.8
71.05024	1.8
72.99323	2.6
73.02959	9.6
73.23255	0.8
75.00881	1.6
77.07066	0.9
83.01393	5.8
85.02954	11.6
87.00887	3.1
89.02466	8.2
90.02828	1.0
95.01379	1.7
97.02950	1.0
99.00886	5.9
101.02451	17.6
113.02443	7.3
118.18665	1.0
119.03530	2.5
121.12757	0.9
125.02480	1.3
125.09783	1.2
127.11357	1.1
131.69067	0.9
135.04449	1.2
149.04594	2.0
149.76457	0.9
159.03053	1.0
161.04611	3.9
163.21663	0.8
169.12453	0.9
171.10268	1.7
185.15504	3.3
191.05612	1.3
213.14995	5.1
229.14435	1.6
231.16034	85.2
232.16373	6.4
249.06360	1.5
261.13403	10.0
358.97964	1.1
375.20395	7.8
393.21396	100.0
394.17227	1.5
394.21698	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	393.1348
Annotation	Gerontoxanthone A
Peak:m/z	Relative Intensity
55.28461	0.7
59.01375	4.0
65.00325	1.6
65.03960	2.4
67.01897	2.2
68.99821	0.9
69.03481	1.0
71.54039	1.0
78.95904	1.5
89.03983	2.2
90.67509	0.8
91.01904	7.1
93.03465	3.0
95.01402	21.9
107.05004	1.1
109.02946	9.5
109.91867	0.8
117.03453	1.8
119.01454	4.0
119.05034	3.2
120.05356	1.5
132.05835	12.5
133.02975	17.1
133.03949	0.6
134.03331	1.1
135.00906	1.3
135.04489	1.2
137.02463	5.4
139.11298	2.6
149.02448	1.9
151.03975	2.4
161.02458	5.8
161.09711	2.1
163.00427	1.1
164.04810	9.5
171.10306	3.2
177.01952	37.1
178.02264	2.0
179.03502	2.1
185.09790	0.8
187.11304	39.8
188.11592	3.6
191.03525	2.6
193.08478	4.9
199.04053	2.0
203.03557	1.0
205.01436	30.7
206.01753	2.6
211.03899	0.7
211.11307	2.6
213.09244	2.2
219.03012	1.3
231.03033	3.7
253.12349	1.8
255.10245	6.0
293.21237	1.1
311.22269	6.7
321.15167	0.9
349.02798	0.8
349.14606	0.9
355.66379	0.7
365.13913	3.7
366.14139	0.9
393.13486	100.0
393.19510	6.0
394.13776	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1712
Annotation	epi-Conferdione
Peak:m/z	Relative Intensity
51.90098	2.6
55.86884	2.8
59.01381	15.2
61.98834	32.3
65.00322	3.5
68.99820	8.0
69.60819	3.2
79.05542	3.0
111.08171	3.8
119.05028	7.1
132.05832	19.4
156.05824	3.3
161.09726	5.7
164.04820	15.3
184.05302	7.4
185.06114	24.5
187.11311	65.7
188.11662	4.9
198.06850	6.1
199.03992	6.0
211.11162	5.7
213.09270	4.9
239.10793	13.3
241.12361	23.4
249.12854	4.0
255.10309	26.7
256.10706	3.8
267.10306	8.3
267.57407	3.0
293.11771	5.0
311.22162	12.8
321.18671	5.6
333.20392	5.1
335.12570	4.6
335.40900	2.9
349.18121	100.0
350.18518	12.2
354.23633	3.1
393.17169	98.4
394.17603	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	393.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00949	0.6
55.01881	2.6
57.03445	2.9
58.00602	0.8
59.01387	33.2
68.90996	0.7
69.26133	1.6
69.26551	5.1
71.01393	35.7
72.99320	1.4
73.02952	13.4
75.00889	0.8
83.01402	8.4
85.02958	22.9
87.00912	2.0
89.02456	6.7
95.01395	3.1
97.02961	1.3
97.06631	0.7
98.19921	1.3
99.00892	7.0
101.02457	34.0
102.02815	1.4
111.00873	1.5
111.26496	0.6
113.02461	16.2
125.02451	1.9
129.56961	0.7
131.03529	0.9
134.85341	0.8
143.03578	1.2
149.04619	1.1
159.02994	1.8
161.04576	20.2
162.04851	0.7
206.20158	0.7
261.13455	100.0
262.13800	6.4
272.54263	0.7
333.15582	0.9
333.19220	1.0
352.92529	0.7
393.13193	4.1
393.17734	15.9
394.18082	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	26.2
68.99826	84.5
69.45495	13.0
69.45899	5.2
71.01397	11.2
72.99316	2.9
75.00895	6.5
85.02949	13.6
89.02456	8.0
93.03465	5.3
95.01403	3.9
96.12295	2.5
97.23867	2.3
99.00899	4.4
101.02455	100.0
107.66448	2.4
108.04551	6.9
109.02979	27.3
110.02487	10.5
110.06107	3.8
112.04063	20.2
113.02439	9.1
122.06136	8.6
123.03319	3.7
132.02193	8.1
133.01831	2.2
133.02954	12.7
135.00928	8.3
135.04547	4.0
135.51797	2.4
136.04065	8.4
137.02438	6.4
138.02026	6.9
140.03592	4.5
143.07129	21.1
149.02504	2.5
151.02766	18.3
151.03966	4.5
152.03534	8.3
155.03563	4.6
163.02913	3.5
164.03427	3.3
169.04959	5.4
172.07632	3.9
174.09299	4.7
176.01151	11.1
176.03564	7.5
177.01949	24.6
179.03535	3.7
180.03026	7.5
183.06963	5.3
190.08719	3.4
198.09241	8.0
198.62154	2.9
207.05466	5.8
208.06212	22.3
209.04636	4.9
214.08685	3.8
216.10316	2.8
217.09801	5.2
218.04761	3.1
218.08293	7.2
227.05931	7.4
242.08302	21.0
248.09332	7.6
249.06146	8.7
254.08209	4.5
259.10901	9.0
261.08878	6.2
272.09320	31.5
273.09531	2.9
274.07166	3.3
279.98862	2.5
285.08823	4.1
289.11908	5.9
291.09909	38.4
292.10159	2.4
300.08270	3.7
303.06311	2.9
315.09842	8.6
316.08337	18.3
317.11493	14.7
318.09900	5.8
333.10873	8.3
347.12543	30.6
361.10428	9.2
393.13559	21.4
393.17856	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	393.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.7
57.03443	2.6
58.00585	0.8
59.01386	33.3
60.01722	0.9
61.98824	1.1
63.59269	0.6
69.77310	1.6
69.77707	1.1
71.01392	39.2
72.01716	1.3
72.93026	0.6
72.99304	1.6
73.02956	14.7
75.00891	0.9
75.79559	0.5
83.01397	9.4
85.02962	22.0
85.03477	1.3
86.81905	0.6
87.00884	2.0
89.02455	5.1
89.32825	0.5
95.01405	2.6
97.02968	1.1
98.20002	1.2
99.00896	7.5
99.08171	1.2
101.02459	37.3
102.02754	0.8
111.00911	1.4
113.02456	15.2
117.34682	0.6
125.02450	1.6
129.01955	1.5
131.03510	1.3
135.04515	0.7
143.03577	1.4
159.02975	3.4
161.04565	19.7
162.04858	1.0
172.18152	0.6
196.27858	0.6
227.60107	0.7
261.13452	100.0
262.13794	7.6
281.70139	0.6
305.12378	1.2
311.34213	0.6
333.15460	0.9
333.19293	1.2
393.13080	4.3
393.17740	15.3
394.13336	0.9
394.18042	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	392.9929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99738	0.4
57.03458	0.7
58.53000	0.4
59.01388	5.9
59.31242	0.5
70.31379	0.5
71.01390	1.4
73.02946	0.6
79.95756	2.0
83.01395	0.5
85.02953	3.1
87.04542	0.8
89.41792	0.5
92.01508	0.5
113.02479	0.6
115.58687	0.5
119.05045	0.9
161.02411	0.7
163.03964	0.9
170.03729	2.0
172.10913	0.6
174.03252	1.1
177.01912	1.6
185.02478	0.8
186.03282	0.7
198.03244	11.3
199.03566	1.1
201.01953	4.6
212.95338	0.5
213.01939	0.9
214.02756	4.9
215.02878	0.6
229.01451	1.2
230.02219	0.7
241.01405	3.2
242.02222	29.0
243.02533	2.1
245.00946	0.8
269.01007	5.3
270.01706	15.6
271.02151	1.7
274.01166	4.3
275.34979	0.6
282.01733	3.5
283.02356	1.1
285.04037	2.2
297.00348	4.1
298.01205	87.8
299.01541	10.5
301.20370	0.8
313.03564	100.0
314.03909	9.8
392.99240	47.7
393.17944	0.5
393.99640	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	392.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	60.0
61.98840	100.0
69.87246	19.1
82.10721	3.6
84.25256	4.7
91.70048	4.2
118.45827	3.3
119.05009	4.9
196.29684	4.5
206.49881	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	392.9927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76496	0.4
65.12711	0.4
71.98001	0.4
94.34068	0.4
104.46272	0.4
158.03712	0.5
164.01144	0.6
170.03651	0.5
170.34308	0.4
174.03214	1.2
185.02481	0.7
186.03238	0.9
188.01170	1.3
189.01903	0.7
198.03255	6.3
201.01900	1.1
202.02669	0.9
202.99994	0.6
210.03317	0.9
213.01941	1.6
214.02745	5.2
218.02226	1.3
226.02744	1.8
229.01361	0.7
230.02245	1.4
241.01411	0.6
242.02234	12.3
243.02599	1.0
245.00838	1.0
253.01431	2.2
254.02164	0.8
269.01047	1.9
270.01721	6.8
271.01880	0.8
281.00964	12.2
282.01324	1.2
285.04034	1.0
297.00458	5.1
298.01212	37.9
299.01505	3.3
313.03574	100.0
314.03918	12.5
314.06757	0.3
392.99280	9.1
393.99475	1.0
408.77856	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	39.4
64.45434	2.2
69.92645	4.5
69.93051	8.6
83.45676	2.4
91.68122	2.4
111.08184	15.1
119.05050	8.2
123.29418	2.6
147.11807	6.4
165.12881	8.6
168.26491	2.3
169.12311	7.2
170.69000	2.2
197.11850	55.1
198.12151	4.8
211.13489	3.8
215.10545	8.4
219.10043	7.3
226.77992	2.8
233.11617	100.0
234.11928	9.3
241.00807	2.7
249.13409	3.9
251.11407	3.7
263.20206	3.7
279.10815	3.5
291.19705	10.8
292.20157	3.0
293.12360	13.6
294.12723	3.0
309.20737	47.0
310.21179	4.9
331.18829	9.3
343.74466	3.0
391.20120	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	392.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78572	0.3
58.65470	0.3
59.01388	8.0
61.98838	100.0
68.99828	1.5
71.01408	2.0
71.54398	0.4
71.54770	0.3
72.99329	0.4
73.02973	0.6
75.00887	0.7
85.02974	2.4
87.00916	0.3
89.02476	1.0
93.03464	0.3
99.00904	0.5
101.02469	3.1
108.04585	0.4
109.02957	0.5
110.74596	0.3
113.02467	0.7
117.37683	0.3
119.03509	0.4
123.04543	1.4
125.02478	0.8
134.03746	0.5
143.07217	0.5
150.03308	0.7
153.09222	0.5
167.03506	5.4
168.03935	0.4
179.05540	0.4
193.05127	1.1
194.05522	0.4
195.06664	2.2
195.10359	0.8
209.02914	0.7
209.04744	0.7
213.11482	0.3
247.93472	0.3
268.11765	0.8
285.04019	0.8
286.12906	0.7
291.10080	0.4
311.05960	0.9
329.08978	0.7
330.11938	0.6
333.15652	1.4
392.12271	0.4
393.12625	0.8
393.17798	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	391.1981
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
53.83554	0.3
55.01882	1.9
57.03439	1.6
58.00595	1.2
59.01389	26.7
60.01729	0.5
71.01390	17.5
71.55579	0.6
72.01694	0.4
72.99305	1.5
73.02955	5.4
75.00882	0.6
83.01395	4.0
85.02956	9.5
85.06599	4.1
86.00114	0.4
87.00879	2.2
89.02454	8.1
94.89794	0.4
95.01412	1.8
97.06597	0.6
99.00885	1.6
101.02455	11.9
111.00873	0.5
111.04513	0.4
113.02465	6.3
113.26395	0.4
119.03529	2.5
119.05031	1.4
135.04532	0.7
148.04268	0.3
155.14442	10.0
156.14796	0.4
161.04550	0.9
165.12857	0.8
166.13268	0.6
175.07733	0.5
179.03532	0.9
181.12372	1.2
183.13953	2.3
184.08568	0.4
184.14246	0.8
185.14488	1.0
199.13419	31.3
200.13725	2.4
211.13425	1.8
226.12666	0.4
227.12914	1.7
228.13260	0.8
229.13513	0.8
245.08182	0.6
263.26672	0.4
283.06378	0.5
348.31665	0.4
352.13962	0.4
370.03400	0.4
373.18771	0.8
391.19757	100.0
392.20114	11.7
392.23959	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89010	0.5
55.01898	0.8
57.03469	0.8
59.01385	100.0
60.01722	1.0
69.89906	1.0
69.90299	1.4
71.01387	5.8
73.02955	1.0
84.06390	0.5
85.02951	2.8
89.02451	5.9
99.00904	0.5
101.02448	4.8
106.06644	0.7
112.93958	0.5
113.02480	2.7
119.03487	3.2
133.05824	0.5
143.03505	1.0
149.04538	0.8
161.04597	2.7
179.05708	1.6
183.10387	0.8
193.34167	0.5
231.41887	0.5
243.12390	2.7
331.17514	2.5
356.09915	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.7
55.65833	0.4
57.03458	1.0
57.21370	0.4
59.01386	100.0
60.01720	1.6
71.01390	14.2
71.01786	0.7
72.99301	0.5
73.02950	5.1
73.86233	0.4
74.18660	0.5
83.01409	2.6
85.02959	8.1
87.00895	0.6
89.02455	6.7
95.01414	0.7
97.02957	0.7
99.00920	1.4
101.02451	18.3
102.02782	0.5
113.02456	5.8
119.03522	3.4
134.04758	0.9
143.03535	0.5
159.03027	1.3
161.04581	6.7
179.05630	0.7
215.64522	0.4
221.83229	0.4
229.05145	2.1
229.14415	0.6
322.67029	0.5
331.17722	1.0
391.19189	0.6
391.23596	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	391.192
Annotation	Xanthoangelol I
Peak:m/z	Relative Intensity
59.01390	1.4
73.43053	0.3
83.28654	0.3
91.01921	0.9
93.03475	1.0
105.72975	0.3
106.04277	0.6
117.63126	0.3
119.05042	100.0
120.05362	5.0
120.50422	0.3
121.02954	0.5
130.04254	3.0
132.05835	0.5
135.00900	1.9
143.05035	1.6
144.05815	0.5
144.93282	0.3
145.02982	1.0
145.06587	2.0
149.02522	0.4
153.01964	0.4
157.06625	1.6
158.07405	0.7
159.04517	1.8
159.08170	2.1
161.02481	1.1
164.04771	0.4
171.08171	0.8
173.06068	0.7
185.06119	0.3
187.04008	2.1
201.05638	1.3
227.14447	1.6
232.11046	0.8
255.17543	2.7
256.17712	0.4
267.06653	0.6
271.13431	17.2
272.13708	1.8
289.14493	9.6
290.14877	0.9
356.70737	0.4
368.32562	0.4
391.19186	78.2
392.19507	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	391.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	2.5
61.98835	0.8
65.39462	0.5
66.32149	0.4
71.53629	0.6
77.38268	0.4
93.03477	0.9
117.03498	1.2
119.05043	87.7
120.05392	4.8
121.02993	1.5
123.08173	0.5
135.00868	1.0
136.01671	1.0
145.02927	2.7
153.01912	0.5
180.05972	0.5
181.56856	0.4
194.02264	0.8
208.05318	1.2
211.07690	1.1
215.05516	0.4
222.06813	0.5
222.08887	0.5
223.07642	0.7
225.05579	1.8
225.12886	1.1
227.14496	2.4
239.07251	1.0
255.06575	0.5
267.06647	27.7
268.07089	3.6
271.13388	6.3
272.13702	0.9
277.60165	0.5
282.09589	0.5
289.14462	2.6
331.19070	0.8
339.83322	0.5
349.18146	0.7
391.19202	100.0
392.19528	17.7
392.24744	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1919
Annotation	Xanthoangelol I
Peak:m/z	Relative Intensity
58.61069	0.5
59.01388	1.4
64.01351	0.4
65.00332	1.3
69.45078	2.0
69.45499	1.2
74.03235	0.4
77.44389	0.4
87.20055	0.5
91.01907	53.9
92.02244	2.1
98.20644	0.9
119.05044	9.1
132.05013	0.4
132.05821	28.9
133.06651	10.2
135.00900	81.0
135.76024	0.5
136.01215	3.0
145.06602	3.2
148.01646	0.6
149.02425	0.5
152.34618	0.5
153.01955	30.6
154.02327	1.3
164.04807	17.8
165.05095	1.0
171.08199	1.3
185.09767	1.3
187.11420	0.6
207.77852	0.6
255.17566	80.5
256.17902	10.0
271.13440	0.9
279.06586	0.6
391.19220	100.0
392.19537	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	391.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43609	0.5
67.55635	0.6
89.29515	0.5
93.03474	1.0
93.09689	0.7
104.73077	0.5
109.06605	0.9
113.41602	0.4
117.03448	0.6
117.63112	0.5
119.05041	100.0
120.05370	4.4
121.26922	0.4
145.02980	1.7
157.06683	0.6
164.58553	0.5
172.08893	0.6
173.06158	0.7
200.32430	0.5
209.21033	0.5
213.09140	0.8
227.14372	2.7
271.13403	22.9
272.13742	3.1
272.86749	0.5
285.14838	0.6
289.14499	8.4
290.14725	0.8
385.50903	0.6
391.19183	98.2
392.19513	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	391.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50822	0.2
53.92570	0.2
57.76307	0.2
59.01380	0.6
69.36460	0.2
70.05070	0.9
70.50491	0.2
93.03482	1.0
109.06603	1.1
113.38182	0.3
115.56220	0.2
119.05042	100.0
120.05374	5.2
131.08690	0.3
135.00836	0.4
145.02966	0.9
151.41328	0.2
157.06648	0.5
159.08156	0.6
170.07376	0.3
171.08192	0.8
172.08968	0.7
183.08203	0.3
225.12848	0.3
227.14420	2.3
228.14662	0.4
229.27185	0.3
243.14021	0.3
255.17462	0.7
269.12003	0.3
271.13428	17.6
272.13791	1.6
285.15094	0.5
289.11423	0.5
289.14505	7.8
290.14902	0.8
391.19180	45.3
392.19519	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	391.1918
Annotation	Xanthoangelol I
Peak:m/z	Relative Intensity
51.13076	0.7
53.96075	0.8
59.01376	3.4
60.34796	0.7
70.09383	3.3
70.44886	0.7
78.19989	0.7
91.01900	18.4
91.02435	1.3
93.03483	0.9
119.05039	99.3
120.05346	4.1
126.86047	0.9
130.04257	1.9
132.05840	8.6
133.06624	4.0
135.00902	32.4
136.01210	1.7
143.05038	1.2
145.06606	3.3
153.01953	10.3
157.06572	1.3
159.04547	1.4
159.08118	2.1
164.04832	3.9
171.08090	1.4
173.06137	0.9
175.14624	0.8
183.62749	0.8
187.03955	1.9
201.05586	1.0
227.14436	3.0
227.20303	1.3
255.17560	28.5
256.17883	3.2
271.13428	18.3
272.13724	1.8
279.06696	1.1
289.14465	8.6
290.15012	0.8
309.20615	1.1
310.60263	1.0
362.45126	0.8
391.19180	100.0
392.19501	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	391.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	3.3
65.00314	0.4
70.71906	0.9
70.72249	0.8
79.01897	1.4
80.96542	0.5
84.47113	0.4
87.52165	0.5
91.01905	0.7
92.24885	0.4
93.03471	1.1
107.05053	1.0
117.03507	1.2
119.05039	100.0
120.05376	4.5
121.02946	1.3
129.53189	0.5
135.00850	0.8
145.02982	2.8
149.45564	0.5
157.06630	0.9
159.04526	0.7
159.08133	0.5
161.02443	0.5
166.01567	0.5
171.04564	0.6
171.08188	6.0
172.05328	0.6
173.06085	1.2
177.09035	0.7
187.04068	0.6
187.11342	3.1
189.09186	1.7
199.04062	0.6
203.07141	1.6
210.63843	0.5
211.07710	0.5
215.07130	1.3
221.08162	1.0
225.05499	0.6
233.08167	0.7
237.05583	0.9
238.06366	1.1
251.07204	1.0
252.07832	0.7
255.17543	0.9
259.12796	0.5
265.05106	4.5
266.05762	1.7
267.06625	4.7
268.07104	0.7
279.06635	0.6
280.07401	1.3
293.11871	1.3
331.18878	0.6
335.12900	39.1
336.13297	6.0
391.19174	91.9
392.19525	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	391.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00279	0.6
69.40403	4.6
85.19434	0.5
91.01904	33.8
92.02212	1.7
116.26797	0.5
126.22910	0.6
134.66331	0.6
135.00899	70.0
136.01219	2.4
145.06610	2.5
149.02411	0.6
153.01961	16.4
154.02283	1.0
155.11766	0.5
156.29045	0.6
200.12076	12.7
201.12389	0.8
208.17610	0.6
232.11060	25.2
233.11378	1.5
255.17570	100.0
256.17905	11.0
316.19714	0.5
391.19193	89.7
392.14740	1.1
392.19519	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	391.192
Annotation	Xanthoangelol I
Peak:m/z	Relative Intensity
65.00334	1.3
67.85741	0.5
70.28699	1.8
91.01937	0.9
98.20612	0.7
108.02211	0.6
109.06608	5.1
119.05077	0.8
131.08708	2.9
132.05832	43.4
133.06198	2.0
147.08177	0.6
148.01685	1.4
155.16196	0.5
159.08176	12.1
160.08598	0.8
164.04816	22.0
164.06195	1.0
165.05196	1.4
175.07635	3.4
185.09691	0.5
187.11304	100.0
188.04758	1.2
188.11633	7.8
201.05568	1.2
202.46788	0.5
203.07164	37.1
204.07396	2.7
213.09355	0.8
217.08939	1.1
221.08212	14.2
222.08592	1.7
225.99403	0.5
293.08258	0.9
391.19189	71.8
392.19559	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12920	0.4
53.57526	0.5
60.41211	0.4
62.12943	0.4
65.00323	0.8
66.77757	0.4
70.28921	1.0
70.29250	0.4
75.45299	0.4
91.01904	50.1
92.02246	1.6
108.02205	0.5
119.05041	1.1
122.72720	0.5
132.05824	31.1
133.06631	10.6
135.00899	81.7
136.01219	4.1
145.06583	2.2
148.01669	1.6
149.02435	0.5
151.04063	0.4
153.01952	19.8
164.04794	14.9
165.05153	0.7
171.08179	1.2
172.08925	0.5
173.09816	0.5
180.00555	0.5
185.09714	1.5
203.24246	0.4
255.17560	72.0
256.17929	8.3
267.06628	1.0
279.06656	0.6
281.15451	0.7
305.12000	0.6
391.19177	100.0
392.19479	21.0
409.43597	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
63.95621	0.2
66.64375	0.1
69.62232	0.3
69.62688	0.7
83.04217	0.1
83.49335	0.2
90.95538	0.1
93.03467	1.1
99.92200	0.2
105.39893	0.2
106.04250	0.6
110.76437	0.2
117.03459	0.2
119.05038	100.0
120.05361	4.4
121.02966	0.4
122.03799	0.1
130.04262	2.7
138.03239	0.2
143.05035	2.0
144.05830	0.5
145.03008	0.9
145.06601	2.6
146.06993	0.2
149.02463	0.3
150.03244	0.4
157.06622	1.6
158.07355	0.5
159.04546	1.3
159.08165	2.1
160.05211	0.2
161.02481	0.8
161.06058	0.2
162.03239	0.6
171.08165	0.5
172.09143	0.1
173.06116	0.7
174.06902	0.3
183.08133	0.2
185.06120	0.4
187.04027	1.8
189.05568	0.2
190.06378	0.6
194.02144	0.2
197.09863	0.2
201.05551	1.1
202.06349	0.6
203.07086	0.2
211.11339	0.2
212.27754	0.2
216.63123	0.2
227.14409	2.1
228.14705	0.2
244.15489	0.2
245.15401	0.2
267.06635	1.0
268.06940	0.2
269.11810	0.2
271.13412	21.1
272.13748	2.3
279.06717	0.4
285.15021	0.2
289.14481	7.8
290.14813	1.0
391.19174	53.7
392.19501	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	391.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
65.99886	0.4
69.63976	2.7
80.89748	0.4
93.03472	1.2
98.19904	0.7
117.03522	1.9
119.05040	83.4
120.05370	3.9
121.02971	1.9
135.00896	1.2
137.02209	0.3
138.10986	0.4
145.02972	7.5
146.03401	0.5
147.04492	0.4
152.59827	0.4
157.33360	0.4
196.05202	0.4
197.06120	0.5
208.05287	1.6
211.07693	1.3
222.06824	0.6
223.07729	1.0
225.05582	4.0
226.06126	0.5
227.14243	0.5
239.07147	1.6
245.15379	0.8
253.05074	0.4
267.06625	29.0
268.06897	3.0
271.13455	0.6
272.13495	0.4
349.18106	1.8
356.33722	0.4
391.19174	100.0
392.19507	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	391.1551
Annotation	Dicitrinin C
Peak:m/z	Relative Intensity
59.01387	4.0
64.01810	0.6
69.94958	2.2
83.05038	7.7
93.03458	1.5
94.72764	0.5
102.33505	0.6
107.05067	1.0
117.03512	0.9
117.98785	0.7
119.05042	100.0
120.05376	5.4
121.02171	1.1
121.02975	13.3
123.08175	17.7
135.00890	1.1
136.01674	1.4
143.05115	1.2
145.02980	6.9
149.02409	0.8
153.01987	0.7
159.04532	1.0
161.02486	1.0
161.06085	1.4
162.03218	0.9
186.20032	0.6
187.04033	4.4
188.04776	2.4
194.02240	1.9
202.06415	0.7
225.12933	0.6
227.14433	1.7
253.08806	0.8
263.10898	0.6
267.06644	7.9
268.07062	1.6
271.09796	9.6
271.13406	3.6
279.06653	4.7
289.10825	4.1
289.14471	1.5
307.09897	3.1
308.10516	1.2
391.15497	49.8
391.19424	29.9
392.15140	8.5
392.20554	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	391.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01117	2.9
59.01386	42.6
71.01386	10.9
72.99301	1.7
75.00862	2.6
77.92960	1.6
85.02952	7.7
87.82689	1.7
89.02460	5.0
92.05073	2.4
93.24775	1.7
94.06644	2.3
98.02445	1.8
101.02481	3.0
104.05077	2.1
106.02979	1.9
107.03779	1.7
108.04546	2.5
111.04494	1.8
112.04079	2.7
113.02435	5.1
118.06605	8.4
120.01308	1.9
122.06135	23.7
124.04059	3.7
124.07664	5.7
131.65623	1.6
134.03729	7.3
134.06120	8.5
135.04524	3.6
136.07671	7.4
136.98831	3.7
138.05603	6.9
144.04520	2.3
146.06136	8.4
148.04053	14.2
149.04712	1.9
149.06061	2.9
150.05612	15.7
152.07178	6.2
160.04060	30.2
161.04741	7.8
162.05606	9.8
164.07202	2.4
167.10725	2.1
169.01419	3.0
173.04865	3.6
175.04117	2.0
176.03447	2.9
178.02715	3.8
178.05109	17.6
182.06091	2.5
191.05948	3.8
193.03612	1.7
193.05190	13.9
200.07202	3.2
209.08421	3.8
211.09860	2.3
212.07332	3.3
212.10834	5.5
224.10925	16.3
225.10204	3.4
226.07556	2.8
227.08157	5.7
228.09099	2.3
229.09666	1.9
229.14516	1.8
230.11835	5.9
231.08885	2.0
237.06749	4.9
238.07277	2.2
240.09024	3.1
241.13423	5.7
242.11870	15.9
243.11346	18.9
251.08298	6.5
252.09033	30.3
253.09459	2.4
255.07718	4.1
255.11421	7.8
256.08514	3.1
257.09448	2.2
260.12915	5.1
261.12573	4.8
267.11404	100.0
268.11725	12.0
269.09308	2.4
270.10022	5.2
284.08081	7.4
285.12466	94.1
286.12878	11.7
293.09265	6.9
303.13498	14.3
311.10440	24.3
312.10718	2.5
315.09741	2.2
328.08310	2.6
329.11447	71.2
330.11752	7.8
347.12524	15.6
348.12772	2.0
373.10373	30.9
374.10767	2.9
391.11566	33.5
391.19781	12.1
392.11801	3.4
392.19672	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	389.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57761	6.5
59.01389	100.0
69.81664	26.0
71.38228	6.9
82.29031	6.4
84.35732	6.6
86.59090	7.6
89.41254	6.2
98.20564	10.3
108.04231	6.5
108.60455	6.7
143.60370	6.5
151.55824	6.1
244.09239	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	390.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00134	3.8
58.36562	3.4
59.01389	46.6
61.09323	3.4
61.98837	100.0
71.01370	6.0
78.39533	4.3
78.95878	3.6
84.83261	4.5
94.21142	3.7
105.45069	3.6
154.69373	4.0
167.10803	8.1
168.11143	6.8
198.98582	3.7
258.08554	7.5
281.00797	4.1
311.05585	4.8
346.13928	4.9
390.13123	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	389.2549
Annotation	bhos#24
Peak:m/z	Relative Intensity
57.03466	2.8
59.01383	9.5
61.98827	0.6
69.03448	0.8
70.82864	1.1
71.01388	4.8
73.02946	1.8
75.03610	0.4
83.05022	0.6
85.02956	4.2
85.06592	1.0
87.00858	0.7
87.04530	2.8
89.02441	1.8
97.06580	0.7
101.02441	1.8
111.08226	0.9
113.02441	0.9
119.03487	0.6
123.04510	0.8
123.08187	1.1
125.09718	2.0
133.28348	0.6
135.04524	0.5
135.08194	0.6
137.09741	3.9
139.11299	1.8
141.12923	0.8
146.17934	0.5
146.46213	0.5
157.12358	1.5
161.04581	0.9
163.11288	0.5
169.12361	0.7
171.10266	2.8
175.03914	0.6
183.13950	0.9
185.11836	7.9
186.12077	0.8
197.11826	0.9
207.10358	0.6
208.45197	0.5
213.11282	1.0
214.12157	0.9
215.12891	38.7
216.13257	2.8
225.11150	0.5
227.12787	1.6
227.16536	0.6
243.15977	3.5
255.15953	0.5
259.06085	0.5
283.19247	0.5
301.20206	8.0
302.20346	0.6
311.22391	1.1
327.21796	1.8
328.22150	0.6
329.23349	3.6
330.23849	0.6
341.23361	5.5
342.23862	0.9
351.12146	1.3
359.14838	1.0
359.24402	1.3
371.24307	4.2
387.23798	0.9
389.25467	100.0
390.25763	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	389.2185
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
55.01886	5.6
57.03447	4.2
58.00602	3.2
59.01386	95.1
59.42422	0.7
60.01718	1.0
60.40354	0.6
66.92207	0.6
68.71360	0.7
69.03445	1.2
69.28769	6.0
71.01389	100.0
72.01728	1.6
72.99310	5.1
73.02956	25.5
75.00871	1.6
81.80463	0.7
83.01389	11.2
84.02168	0.7
85.02957	39.3
87.00883	5.5
89.02455	47.1
90.02798	0.8
95.01402	7.9
97.02974	2.4
97.53553	0.8
99.00887	9.3
101.02454	80.8
102.02796	1.8
111.00871	2.4
113.02464	46.9
114.02804	1.3
119.03519	21.8
125.02446	2.5
129.01964	2.0
131.03508	1.8
141.01990	0.8
143.03519	7.2
149.04518	1.1
159.02992	10.0
159.95935	0.7
161.04573	48.5
162.04897	1.7
165.12941	0.8
179.05609	3.8
183.13974	1.0
190.06462	1.3
191.07233	1.2
205.03560	1.1
205.08688	1.1
208.07629	0.7
215.12914	4.0
227.12952	0.7
227.16553	2.0
313.55341	0.7
359.14990	3.2
387.62225	0.9
389.21835	70.3
390.22031	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	389.2184
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
51.98912	0.7
55.01881	9.6
57.03455	7.6
57.46498	0.6
58.00594	2.1
59.01388	59.4
65.41132	0.7
69.03453	1.0
71.01391	100.0
71.05026	2.7
71.54975	0.8
72.01737	2.5
72.99324	3.7
73.02957	34.7
74.03289	0.8
75.00880	2.6
83.01398	18.2
84.02185	0.8
85.02963	45.8
86.03295	0.9
87.00889	5.1
89.02457	26.3
93.03523	0.7
95.01401	7.0
97.02974	2.1
99.00893	14.4
99.04544	1.0
101.02458	93.7
102.02795	1.8
113.02466	45.1
114.02797	1.3
119.03510	10.6
123.04578	1.5
123.08193	1.4
125.02464	2.4
129.01967	2.1
131.03511	1.3
134.03769	0.9
135.04536	1.1
137.09764	1.2
143.03508	5.8
147.11826	3.3
148.04070	2.1
149.02539	1.2
150.03255	2.1
153.09247	1.0
153.12883	1.5
159.03012	9.6
161.04578	55.0
162.04933	2.7
165.05562	2.3
165.12849	3.1
177.05627	1.3
179.05659	2.9
193.05144	1.8
195.06689	0.8
197.15474	4.2
205.03600	1.4
209.11873	1.1
209.15450	3.9
220.22475	0.6
222.89854	0.6
225.14938	1.3
227.07172	2.3
227.16545	27.3
228.16876	1.9
230.84946	0.7
233.26616	0.7
271.09875	1.0
295.10846	1.2
313.12030	1.1
327.13657	0.9
341.10410	0.8
345.10995	2.0
389.14026	1.1
389.18085	1.6
389.21964	22.1
390.22354	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81676	0.5
55.01884	8.1
57.03452	6.0
58.00598	1.7
59.01385	42.7
59.50539	0.5
69.03469	1.1
71.01387	100.0
72.01730	1.6
72.99302	3.3
73.02953	34.2
75.00875	1.9
83.01397	15.7
83.01900	0.9
83.79765	0.5
84.02206	1.0
85.02958	49.7
86.03304	1.7
87.00882	4.1
87.91241	0.6
89.02454	16.1
92.12051	0.5
93.03499	0.7
95.01391	7.4
96.93364	0.6
97.02970	2.2
99.00896	11.9
101.02451	76.0
102.02793	2.1
107.21588	0.6
111.00903	0.6
113.02464	42.0
114.02762	1.5
119.03507	4.9
125.02435	2.9
129.01939	1.9
132.60378	0.6
134.03735	2.6
134.04662	0.6
143.03560	4.1
147.11809	3.6
149.02420	0.9
149.04587	0.6
150.03273	3.3
159.03004	11.8
161.04565	55.9
162.04950	1.2
165.05626	2.5
179.05672	1.7
184.75121	0.6
193.05106	3.6
193.06580	0.6
195.06648	1.4
197.74701	0.5
205.03574	0.7
227.16524	2.6
229.48094	0.7
389.21848	57.9
390.22128	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	389.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66674	0.4
54.72531	0.5
55.01891	7.1
55.88197	0.5
57.03453	6.1
58.00595	3.1
59.01388	89.4
60.01743	0.8
66.16225	0.5
69.03464	1.2
69.58264	0.8
69.58669	2.5
71.01392	100.0
72.01731	2.0
72.99319	3.4
73.02959	31.0
74.03295	0.7
75.00886	2.2
83.01399	13.4
84.02168	0.5
85.02962	45.8
86.00114	1.3
86.03303	1.7
87.00887	3.8
89.02455	22.7
95.01402	8.2
97.02964	2.3
99.00899	13.5
101.02457	76.8
102.02800	2.2
102.24516	0.5
111.00878	0.9
113.02464	41.9
114.02826	1.5
119.03520	8.0
121.02985	1.4
122.03748	0.9
125.02493	2.7
129.01968	2.1
131.03520	1.2
134.03761	4.0
135.04530	0.5
137.02516	1.2
139.07614	0.9
143.03555	4.4
149.02438	2.7
150.03242	5.5
151.03671	0.5
155.10759	1.3
159.03018	10.4
161.04575	45.2
162.04926	1.9
164.04753	0.6
165.05580	7.5
165.12831	1.0
178.02747	2.7
179.05635	1.8
193.05077	5.2
195.06622	2.5
205.03482	1.0
209.11819	1.7
209.15532	0.8
227.12866	0.8
227.16530	4.9
239.07217	0.5
270.01154	0.7
282.08923	0.7
302.86212	0.5
313.11716	0.6
329.15820	0.7
337.37433	0.5
339.79086	0.5
341.10263	1.8
357.11057	0.6
389.18036	59.1
390.18408	8.1
390.22751	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	7.4
57.03453	5.7
58.00611	4.2
59.01386	98.8
60.01731	1.4
64.26443	0.6
66.96619	0.6
69.03462	0.9
69.29619	0.8
69.30022	4.5
71.01391	100.0
72.01743	2.1
72.99323	5.0
73.02954	24.6
74.03281	0.7
75.00906	1.3
81.03495	0.7
83.01399	13.1
84.02182	0.8
85.02961	41.4
86.00117	1.2
86.03291	1.3
87.00879	5.3
89.02454	64.9
90.02769	1.1
95.01393	7.9
97.02979	1.3
98.20732	1.0
99.00906	9.4
101.02454	75.2
102.02785	1.4
111.00907	2.4
113.02460	42.2
114.02794	1.9
116.78900	0.7
119.03519	31.9
122.03767	0.7
125.02450	2.1
129.02014	2.0
131.03490	3.0
134.03720	3.7
135.04562	1.5
143.03514	7.3
147.11862	3.2
149.02475	1.5
149.04568	2.9
149.06169	1.1
150.03244	4.3
151.03973	1.1
159.03014	6.2
161.04575	34.0
162.04967	1.9
165.05588	3.4
165.09210	1.8
178.02699	1.0
179.03505	1.0
179.05623	11.7
180.05873	0.6
193.05078	3.8
195.06639	1.2
227.16631	1.6
269.09201	0.9
301.90912	0.6
341.10144	0.8
389.21857	69.3
390.17990	1.0
390.22220	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	389.1821
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03453	0.9
59.01386	14.8
69.21113	1.5
69.21522	4.8
71.01387	8.9
72.75504	0.6
73.02956	4.7
73.80513	0.5
80.25655	0.5
83.01421	1.5
83.05007	0.6
85.02960	4.1
88.46190	0.5
89.02456	6.2
95.01409	1.5
98.19915	1.2
101.02460	9.0
103.97547	0.5
106.73314	0.7
111.08160	1.4
113.02462	5.9
119.03542	1.7
143.03586	0.6
161.04596	2.8
165.12868	26.2
166.13235	2.5
167.10846	1.0
179.05652	0.7
183.13913	76.1
184.14267	5.5
191.10924	0.7
197.15456	1.4
198.67026	0.6
207.13818	2.8
209.11841	3.0
225.14951	1.7
227.12898	100.0
228.13219	7.2
251.12886	6.2
269.13980	2.2
281.14005	0.9
293.13916	1.2
329.16089	0.8
389.17892	4.8
389.25632	2.8
390.18448	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31668	0.6
59.01386	100.0
60.01721	1.2
61.98846	1.2
63.29932	0.5
71.01392	2.7
71.54870	0.6
73.02972	0.7
85.02960	1.5
89.02454	0.9
95.01439	0.6
101.02491	1.7
113.02468	2.5
161.04573	0.6
167.10797	45.2
168.11154	2.7
191.10832	0.9
240.39540	0.5
257.08340	0.9
329.50055	0.6
350.79681	0.5
389.12253	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1763
Annotation	Lespeol
Peak:m/z	Relative Intensity
56.45011	0.4
59.01393	1.1
69.93954	2.2
79.01058	0.4
85.95989	0.4
93.03466	1.1
100.22419	0.5
117.03491	1.0
119.05039	100.0
120.05382	4.5
121.02949	1.6
125.57219	0.5
135.00948	0.4
136.01778	0.5
145.02968	1.8
153.67473	0.5
157.06598	3.2
159.04539	1.0
161.02512	1.1
161.05949	0.4
163.04054	0.8
169.06531	0.5
171.04514	1.1
172.05270	0.8
174.03096	0.5
174.80165	0.4
180.21426	0.6
185.02461	1.2
187.04039	1.3
188.04781	0.9
197.06213	0.5
201.05615	1.3
206.02228	0.9
210.10468	0.5
213.05486	0.7
214.06375	0.7
225.12836	1.7
267.06259	0.5
269.11871	9.9
270.12122	1.0
279.06616	1.5
287.12930	3.2
289.18060	0.7
319.09741	1.2
331.25058	0.7
389.17593	67.6
390.17978	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	389.1763
Annotation	Lespeol
Peak:m/z	Relative Intensity
51.07461	0.2
52.21559	0.2
67.77103	0.2
71.38299	0.4
85.61710	0.3
86.47435	0.3
93.03455	0.6
118.86560	0.2
119.05042	100.0
120.05376	5.3
145.02937	0.4
156.05844	0.6
157.06615	1.8
159.04503	0.5
171.04482	0.4
174.26172	0.3
181.06636	0.6
187.04065	0.7
225.12874	1.2
269.11844	12.1
270.12122	1.6
287.12830	1.1
339.39395	0.3
389.17630	39.6
390.17969	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	389.182
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03453	0.8
58.00585	0.7
59.01385	9.8
61.65374	0.6
63.31408	0.7
69.44119	4.8
71.01390	5.8
74.33640	0.6
77.53251	0.6
85.02960	2.1
89.02451	5.6
101.02450	2.4
111.08189	1.1
113.02455	6.0
119.03499	2.0
142.96028	0.8
143.03703	0.8
161.04539	1.2
163.37950	0.7
164.34158	0.8
165.12857	23.6
166.13214	2.2
179.05627	1.3
183.13918	66.4
184.14275	4.3
191.10777	1.1
197.15457	2.2
207.13937	2.3
209.11897	3.2
225.14995	0.7
227.12910	100.0
228.13219	9.9
243.85509	0.7
247.75996	0.7
251.12997	6.7
263.12860	0.9
269.13998	2.1
293.14041	1.4
353.99585	0.8
389.18231	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	389.1821
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01883	1.4
57.03453	0.8
59.01388	65.8
60.01723	1.4
63.29881	0.6
70.70338	1.6
71.01392	13.5
72.99313	0.9
73.02953	5.2
83.01395	2.2
85.02972	5.4
86.00105	0.8
87.00878	1.1
89.02469	5.7
90.18233	0.5
95.01377	1.3
99.00891	1.7
101.02451	11.7
113.02467	6.0
119.03501	1.5
134.03751	1.3
144.98201	0.6
149.02414	0.7
150.03215	2.2
159.03003	1.5
161.04572	3.7
165.05580	2.6
167.10745	0.7
178.02652	0.9
193.05046	2.5
195.06677	1.1
209.11707	1.0
227.12883	0.7
329.08508	0.7
329.15930	1.1
341.10489	1.0
371.17081	1.3
389.18188	100.0
390.18521	14.0
390.23572	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1248
Annotation	Resveratroloside
Peak:m/z	Relative Intensity
59.01375	0.9
63.10545	0.2
66.96375	0.2
69.52305	1.4
69.96748	0.2
71.01407	0.3
71.89485	0.2
73.02955	0.3
85.02983	0.4
89.02466	0.4
99.00916	0.2
101.02454	0.3
113.02505	0.3
117.03460	0.4
119.05035	0.5
141.07143	1.0
143.05038	7.5
144.05415	0.4
145.02948	0.3
157.06668	1.4
159.08167	2.7
165.12840	0.7
167.04974	0.2
181.06671	1.0
182.07372	1.1
183.08202	2.6
183.13890	1.3
185.06097	11.8
186.06467	1.1
212.04868	0.2
225.05637	0.7
227.07169	100.0
227.12898	2.3
228.07510	8.9
389.12790	0.4
389.17752	0.3
389.25476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
59.01388	100.0
60.01729	1.7
61.98840	2.5
66.86099	1.2
69.34180	1.2
71.01389	5.4
71.13541	1.9
73.02958	1.3
85.02968	15.3
88.98776	1.4
101.02448	3.7
102.39497	1.3
102.71839	1.1
113.02439	2.8
121.02943	1.7
126.99862	1.2
134.03793	1.8
137.02460	2.6
152.04811	15.3
161.04559	5.8
167.07147	26.4
191.02013	4.4
197.04442	1.4
198.22002	1.1
228.99704	1.2
389.10162	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
59.80688	0.3
63.06176	0.3
71.09467	0.8
73.15622	0.3
119.05093	0.6
121.72257	0.3
126.90541	1.6
138.40239	0.4
143.05060	0.4
185.09656	0.5
191.79315	0.3
209.05989	0.4
247.52455	0.3
249.05669	0.6
250.06493	0.4
255.57170	0.5
265.05051	0.6
274.58954	0.3
277.05090	1.2
278.05890	3.9
279.06635	3.6
291.06635	5.9
292.06973	0.8
303.06671	1.1
305.08322	0.3
305.11816	0.5
310.04745	2.5
317.08127	1.8
318.08936	0.6
319.09824	1.8
333.11316	6.4
334.12091	7.7
335.12473	1.0
345.11426	0.5
346.12253	0.5
347.12683	0.4
366.11115	14.8
367.11420	2.0
371.12802	0.4
373.14514	5.6
374.15051	1.8
389.17615	100.0
390.17923	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	389.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84868	1.1
53.89808	1.1
55.01885	9.1
56.05029	0.9
57.03452	7.9
58.00611	1.8
59.01385	77.0
61.98832	1.4
67.65997	1.1
69.03419	1.3
71.01388	85.5
71.05025	3.0
71.31342	1.8
72.01747	1.1
72.99323	5.9
73.02556	2.1
73.02954	29.7
75.00855	1.4
82.88255	1.2
83.01396	16.8
84.02182	1.3
85.02959	42.6
86.03255	1.7
87.00852	5.3
89.02453	29.9
93.03442	3.5
95.01411	6.9
97.02956	2.4
98.20744	1.1
99.00890	10.8
101.02451	100.0
102.02803	2.1
109.02971	1.1
110.01669	1.1
113.02464	33.5
114.02816	1.3
119.03509	10.1
121.02959	10.9
122.03778	6.6
122.43933	1.1
123.04536	3.7
123.08155	1.3
125.02441	3.4
125.11047	1.1
127.86674	1.0
129.01950	1.2
130.41026	1.0
131.03471	1.6
133.02962	1.3
133.75084	1.1
134.03754	35.6
135.04539	3.1
135.54912	1.2
136.01712	1.3
137.02441	3.8
139.04008	2.3
143.03465	4.3
149.02441	18.5
149.06104	6.8
150.03242	53.4
151.03639	2.7
159.02975	7.2
161.03276	2.2
161.04567	36.3
161.05913	1.9
162.04903	1.1
163.03954	1.4
164.04726	3.2
165.01889	1.3
165.05583	54.8
165.12933	2.2
166.05899	4.0
175.03954	3.0
177.05595	1.9
178.02705	15.5
179.03090	1.3
179.05632	3.7
180.04279	4.8
190.06302	1.8
191.07040	1.7
193.05074	47.7
194.05431	3.4
195.06627	25.1
197.15422	1.5
205.08667	2.2
209.11826	1.6
209.15523	2.5
227.07039	1.6
227.16573	12.7
239.07169	1.5
250.06418	2.5
267.06677	2.0
271.09839	2.5
282.08884	4.4
283.09381	1.2
341.10312	25.1
342.10599	2.2
389.17209	4.7
389.21805	17.5
390.22198	1.5
408.28949	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.3
57.03453	11.9
59.01384	7.7
68.99787	0.8
69.89194	3.0
71.01388	3.1
72.99319	1.7
75.00861	1.4
83.01394	1.3
84.02171	2.0
85.02956	100.0
86.03281	3.6
87.00868	1.9
89.02473	0.8
95.18677	0.7
103.00380	2.1
122.05846	0.7
123.04558	0.9
129.01953	9.0
133.01454	1.0
135.04544	13.5
147.03006	16.3
153.05569	1.5
173.37148	0.7
179.03497	1.3
191.01990	35.3
192.02345	1.9
197.04543	1.4
209.03049	15.7
210.03323	0.8
345.21500	0.8
371.06033	1.6
389.07364	5.4
390.07645	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30465	1.5
55.01882	5.9
57.03463	4.2
59.01389	37.1
61.98838	2.9
71.01011	3.0
71.01394	46.2
71.05047	1.8
71.53802	2.2
71.54180	1.8
72.01719	1.9
72.99311	3.2
73.02962	17.7
75.00889	2.3
81.03458	1.5
83.01400	9.7
85.02973	23.1
86.03316	2.6
87.00871	2.4
87.34203	1.4
89.02461	11.6
93.03476	5.0
95.01424	3.6
99.00900	4.8
101.02458	44.4
113.02481	19.9
119.03513	4.2
119.05027	2.3
121.02979	21.7
122.03769	11.0
123.04545	4.5
123.08145	1.9
133.02968	3.1
134.03764	65.0
135.04492	5.0
137.02464	7.0
139.04033	2.5
143.03520	1.8
149.02463	37.9
149.06093	13.4
150.03252	91.2
151.03632	3.4
159.02957	5.7
161.04576	18.2
162.04924	2.0
164.04776	5.7
165.05591	100.0
166.05908	4.3
174.01236	1.5
175.04085	1.7
177.05559	3.2
178.02734	30.1
179.03195	1.9
180.04288	4.9
193.05080	78.6
194.05449	5.1
195.06641	51.5
196.07030	3.6
209.12061	1.6
225.14882	1.7
227.07083	2.6
227.16682	7.3
233.06113	2.1
239.07074	2.5
250.06314	3.9
251.07054	1.7
254.09570	1.7
265.08649	1.7
267.06604	2.0
271.09772	6.7
282.09076	9.2
341.10358	45.4
342.10684	3.6
389.17963	5.3
389.21960	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	389.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.6
55.09417	0.7
57.03455	12.5
59.01383	6.5
68.99824	0.9
71.01385	3.9
72.99319	2.0
75.00881	1.1
83.01406	1.3
84.02182	2.1
85.02962	100.0
86.03288	3.8
87.00882	1.0
89.02440	1.6
98.20694	1.6
101.02496	1.3
103.00376	2.1
129.01970	8.1
135.04543	15.8
137.02426	1.0
147.03018	17.0
153.05521	0.8
179.03456	1.3
191.01994	37.2
192.02342	2.4
209.03059	15.5
210.03432	0.8
221.30626	0.7
240.61427	0.7
371.06320	1.4
389.07248	6.3
389.11517	0.9
390.07950	0.8
405.18710	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
71.01396	50.3
71.02073	40.2
122.45055	34.5
141.01654	38.9
145.90222	37.2
392.20459	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07085	4.4
59.01386	100.0
68.16857	3.8
73.88580	4.0
75.20319	4.8
98.19920	13.9
101.02458	4.3
101.92999	5.0
197.19095	7.9
220.50459	4.9
225.22363	4.7
255.23352	12.1
287.22119	6.7
315.25436	82.9
316.25732	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	388.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99548	0.8
55.74820	0.7
58.00598	1.3
58.95518	0.7
59.01387	87.1
60.01725	9.6
61.01812	0.9
61.98823	0.9
66.32229	0.8
69.46973	5.3
71.01397	20.8
72.01730	2.8
72.99324	1.8
73.02948	1.1
83.01407	1.5
85.02950	4.5
86.03246	1.3
89.02452	20.7
90.02787	3.4
95.01383	1.4
101.02448	13.8
102.02811	2.3
113.02473	7.6
114.02798	1.7
115.19730	0.9
119.03518	8.4
120.03810	1.5
128.92332	0.7
132.36156	0.8
143.03529	1.0
147.11797	1.1
163.11322	5.6
164.11610	7.6
197.11803	0.7
202.12137	0.7
207.10248	5.6
208.10623	9.4
209.11775	3.5
215.01411	0.8
275.00952	0.8
326.59222	0.7
388.16983	100.0
389.17834	23.7
396.75027	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.203
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
51.39738	1.2
55.01889	8.4
57.03453	6.9
58.00588	2.8
59.01387	100.0
69.03453	2.5
71.01389	79.7
72.99287	2.9
73.02956	34.2
75.00859	1.6
76.55051	1.3
83.01393	22.2
85.02959	46.5
86.00100	3.1
86.03279	1.3
87.00864	4.2
89.02458	16.5
95.01387	5.5
97.02950	2.8
99.00896	14.0
99.23673	1.1
101.02452	78.8
102.02753	3.0
111.00862	3.6
113.02460	35.2
114.02762	1.5
119.03485	5.6
125.02421	1.5
129.01921	2.4
131.03419	1.5
143.03487	3.6
159.02983	8.7
159.04303	2.4
161.04572	28.4
164.39148	1.4
165.12744	1.5
175.07637	1.8
186.03156	1.9
201.51804	1.3
321.50809	1.4
327.21625	2.8
343.21265	9.3
345.19061	9.1
345.22855	6.3
387.06320	1.3
387.20151	62.8
388.20520	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	387.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16675	0.6
55.01890	5.6
55.99847	0.6
57.03458	7.1
58.00589	1.8
59.01382	34.3
67.01927	0.7
69.03455	0.9
69.42557	1.2
69.42953	3.7
71.01387	100.0
71.05035	0.5
72.01720	2.3
72.02099	0.6
72.21635	0.5
72.99318	5.2
73.02952	32.6
74.03288	0.6
75.00889	2.2
77.83699	0.6
81.03456	1.1
83.01399	14.4
83.05016	0.6
84.02165	0.7
85.02957	50.6
86.03291	1.5
86.61842	0.6
87.00891	4.3
87.01362	0.7
89.02453	14.6
90.51786	0.5
95.01399	8.5
97.02955	2.5
99.00893	14.7
101.02452	64.6
102.02810	1.8
112.88017	0.7
113.02460	42.3
113.06080	1.4
114.02782	1.4
119.03532	4.7
123.08166	1.5
125.02447	2.8
129.01942	1.7
133.06627	1.1
143.03531	4.4
145.06607	1.0
145.10254	0.7
150.05624	0.8
151.11288	4.8
159.03003	9.4
161.04564	42.4
161.09761	1.9
162.04930	2.1
163.11305	12.2
164.11653	0.9
168.80661	0.6
173.09753	1.4
176.61024	0.5
177.12863	0.7
179.05630	1.2
181.12344	8.7
182.05569	0.6
187.11267	1.0
189.12878	8.7
195.13983	0.7
197.15433	0.8
205.03502	0.9
207.13911	17.1
207.15854	0.8
208.14256	0.9
224.39812	0.6
225.14984	25.5
226.15303	1.8
258.82703	0.6
287.74622	0.7
311.10211	1.3
355.09277	0.6
387.10760	0.9
387.20334	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39738	1.2
55.01889	8.4
57.03453	6.9
58.00588	2.8
59.01387	100.0
69.03453	2.5
71.01389	79.7
72.99287	2.9
73.02956	34.2
75.00859	1.6
76.55051	1.3
83.01393	22.2
85.02959	46.5
86.00100	3.1
86.03279	1.3
87.00864	4.2
89.02458	16.5
95.01387	5.5
97.02950	2.8
99.00896	14.0
99.23673	1.1
101.02452	78.8
102.02753	3.0
111.00862	3.6
113.02460	35.2
114.02762	1.5
119.03485	5.6
125.02421	1.5
129.01921	2.4
131.03419	1.5
143.03487	3.6
159.02983	8.7
159.04303	2.4
161.04572	28.4
164.39148	1.4
165.12744	1.5
175.07637	1.8
186.03156	1.9
201.51804	1.3
321.50809	1.4
327.21625	2.8
343.21265	9.3
345.19061	9.1
345.22855	6.3
387.06320	1.3
387.20151	62.8
388.20520	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	387.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.9
56.95162	0.9
57.03453	4.4
57.70273	0.7
58.00589	2.3
59.01388	60.0
69.03481	1.4
71.01391	100.0
71.05013	0.8
71.53905	1.5
72.01718	2.1
72.99314	2.8
73.02955	25.9
75.00889	1.9
81.09538	0.8
83.01401	13.0
84.02168	0.8
85.02959	42.9
86.03286	1.0
87.00890	4.6
89.02455	36.1
90.02821	0.8
93.03466	4.6
95.01395	7.7
97.02918	2.0
99.00890	11.3
99.04534	1.4
101.02457	72.0
102.02792	1.9
111.00899	1.4
113.02467	43.7
114.02802	1.1
119.03520	16.0
123.08166	1.6
125.02440	2.6
129.01939	1.5
131.03505	1.4
131.59331	0.8
137.02481	9.3
143.03517	5.7
149.04559	0.9
151.11275	0.8
153.01955	1.7
159.03014	8.0
161.04576	43.5
162.04927	1.2
163.11301	1.9
168.04376	1.7
177.71909	0.8
179.05663	2.3
181.12418	1.9
183.06564	0.9
189.12822	3.1
192.90355	0.8
205.03618	0.9
207.13974	6.6
225.15028	4.4
249.06229	2.0
327.14328	0.9
387.20370	16.7
388.20825	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	387.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01663	0.7
55.01883	6.5
57.03457	7.8
58.00597	2.2
59.01387	48.4
60.01744	0.6
69.03468	1.3
71.01392	100.0
71.05029	1.3
71.55173	0.5
72.01733	2.1
72.99312	3.5
73.02956	32.3
75.00882	2.7
81.03458	0.9
83.01396	14.5
84.02181	0.6
85.02961	50.1
86.00105	1.0
86.03309	1.9
87.00892	4.5
88.04207	0.4
89.02454	19.6
95.01405	8.1
95.05022	0.8
97.02965	3.4
99.00893	14.5
101.02456	72.3
102.02816	1.5
109.06583	0.5
111.00879	0.9
113.02466	42.8
114.02800	1.2
119.03512	6.0
123.04571	1.3
123.08175	0.7
125.02467	3.6
129.01962	2.3
131.03485	0.7
135.04507	0.8
137.09750	3.0
138.06873	6.7
141.09286	1.1
143.03517	5.1
149.02434	0.7
151.03972	0.6
153.09235	18.3
155.10823	0.5
159.03011	10.2
161.04568	46.9
162.03256	0.6
162.04906	1.8
163.03998	0.6
165.09244	2.0
167.03506	3.9
167.10930	0.5
179.05655	1.7
181.12398	0.6
189.12877	2.5
191.02072	0.7
205.03609	1.8
207.13947	3.0
225.07758	1.4
225.14975	36.9
226.15337	1.7
251.05623	0.9
281.09384	1.0
309.09491	0.5
311.10446	2.0
345.15668	0.6
355.09149	0.7
387.11880	0.9
387.20361	30.5
388.20712	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	387.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.9
56.95162	0.9
57.03453	4.4
57.70273	0.7
58.00589	2.3
59.01388	60.0
69.03481	1.4
71.01391	100.0
71.05013	0.8
71.53905	1.5
72.01718	2.1
72.99314	2.8
73.02955	25.9
75.00889	1.9
81.09538	0.8
83.01401	13.0
84.02168	0.8
85.02959	42.9
86.03286	1.0
87.00890	4.6
89.02455	36.1
90.02821	0.8
93.03466	4.6
95.01395	7.7
97.02918	2.0
99.00890	11.3
99.04534	1.4
101.02457	72.0
102.02792	1.9
111.00899	1.4
113.02467	43.7
114.02802	1.1
119.03520	16.0
123.08166	1.6
125.02440	2.6
129.01939	1.5
131.03505	1.4
131.59331	0.8
137.02481	9.3
143.03517	5.7
149.04559	0.9
151.11275	0.8
153.01955	1.7
159.03014	8.0
161.04576	43.5
162.04927	1.2
163.11301	1.9
168.04376	1.7
177.71909	0.8
179.05663	2.3
181.12418	1.9
183.06564	0.9
189.12822	3.1
192.90355	0.8
205.03618	0.9
207.13974	6.6
225.15028	4.4
249.06229	2.0
327.14328	0.9
387.20370	16.7
388.20825	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	387.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15559	0.7
58.00603	0.7
59.01386	84.6
60.01737	1.1
60.92682	0.7
69.11442	0.6
70.84452	1.9
71.01008	1.3
71.01389	16.6
72.99306	1.1
73.02937	1.1
80.92496	0.6
82.09649	0.6
83.01405	0.8
85.02947	4.8
87.00866	0.7
88.44646	0.6
88.92165	0.7
89.02454	18.4
95.01384	1.3
99.00898	0.7
101.02453	9.6
113.02451	5.7
117.10571	0.6
119.03523	8.2
128.61414	0.6
131.03531	0.8
147.08185	1.0
152.69853	0.7
161.04553	0.9
163.11298	46.0
164.11594	3.0
165.05591	1.4
166.06378	0.7
185.39752	0.7
207.10280	1.0
209.11954	0.8
210.80095	0.6
225.07684	8.3
387.16641	100.0
388.16974	10.8
398.94861	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63542	0.4
55.01882	1.3
57.03457	1.4
58.00594	2.5
59.01386	100.0
60.01725	1.5
69.03455	0.5
69.17918	0.4
69.86681	1.3
69.87098	0.8
71.01390	42.1
72.01728	0.8
72.99319	2.9
73.02972	3.2
75.00877	0.7
81.03453	0.5
83.01405	2.7
85.02956	9.9
87.00900	1.7
89.02454	40.4
90.02804	0.6
95.01394	3.1
95.05063	0.5
98.20664	0.4
99.00880	1.9
101.02455	24.2
106.04387	0.4
110.92920	0.4
113.01646	0.5
113.01817	0.3
113.02462	15.6
119.03516	16.4
120.03860	0.8
125.02461	0.5
131.03502	1.0
143.03459	2.1
149.04579	1.4
159.03000	0.9
161.04605	5.1
163.11317	10.1
164.11635	1.2
167.67999	0.4
179.05600	2.0
189.12860	3.7
207.10315	2.7
207.13945	1.0
225.11385	0.7
300.51294	0.5
387.16617	54.5
388.16956	8.2
388.21878	0.6
402.36328	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1302
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
51.31955	0.5
52.59362	0.5
59.01387	48.7
60.01711	0.7
62.93518	0.5
64.23753	0.5
70.73180	0.9
70.73505	0.9
71.01384	6.3
72.93376	0.5
83.01392	0.7
85.02975	1.9
89.02449	6.2
101.02470	3.8
113.02460	2.4
119.03503	1.8
123.00834	0.7
123.04555	0.9
134.03728	2.0
137.02464	1.5
138.03209	1.3
139.00372	0.7
139.07246	0.5
149.06114	2.2
150.03259	1.5
151.04031	11.8
153.05608	1.7
154.02725	1.7
155.03519	1.0
163.11298	16.7
164.04799	0.8
164.11583	1.3
165.01967	3.7
165.05585	19.1
166.06371	7.4
167.03424	0.8
180.04369	0.8
181.05055	4.0
181.08743	1.8
205.05280	0.6
210.05412	0.7
211.14621	0.5
225.07707	100.0
226.08015	8.3
387.16666	33.9
388.16928	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	387.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.7
58.00596	1.1
59.01387	73.8
60.01726	0.7
70.28979	0.5
70.29329	1.9
71.01391	15.8
72.99344	0.9
73.02959	0.8
78.45753	0.4
81.38809	0.4
83.01399	0.9
85.02972	3.9
89.02460	13.8
95.01418	1.7
99.00887	0.6
101.02463	9.7
113.02455	5.5
119.03506	5.1
128.31146	0.4
131.03596	0.6
147.08276	0.5
163.11301	7.9
171.02623	0.5
175.00410	0.5
179.05653	0.7
190.02757	0.9
205.05092	0.8
207.05692	0.8
207.10284	13.0
208.10600	1.4
321.04041	0.5
338.37692	0.5
387.16638	100.0
388.17029	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	387.1664
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
58.00596	0.8
59.01389	71.6
66.03958	0.7
69.42027	5.6
71.01392	13.9
73.02953	0.7
83.01397	0.9
85.02950	3.0
89.02450	18.8
95.01402	1.1
98.19911	1.5
101.02471	9.4
113.02467	6.4
119.03516	5.3
163.11311	5.4
173.76579	0.7
181.79185	0.7
207.10298	16.0
208.10658	1.5
244.89406	0.8
373.17273	0.8
387.16641	100.0
388.16986	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	387.1302
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
55.01885	0.7
57.03434	0.5
58.00584	0.6
59.01386	49.0
60.01710	0.5
70.73221	1.4
71.01389	7.4
72.99295	0.7
73.02957	0.6
74.03307	0.5
83.01392	0.8
85.02953	3.9
89.02456	6.5
95.01369	0.9
101.02448	4.9
113.02464	2.8
119.03515	2.0
123.04549	1.5
134.03767	2.2
137.02441	1.6
138.03285	1.2
139.00360	1.1
149.06139	2.5
150.03246	2.0
151.04030	11.4
152.04526	0.9
152.92065	0.5
153.05586	1.5
154.02728	2.2
163.11307	15.1
164.04781	0.7
164.11617	0.8
165.01961	2.8
165.05583	16.6
165.06926	1.1
166.02689	0.7
166.06377	8.3
169.91887	0.6
180.04259	0.5
181.05092	3.9
181.08669	1.2
207.06606	1.1
210.05461	0.8
225.07706	100.0
226.08063	6.9
271.50610	0.6
387.16656	38.2
388.17139	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	387.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.3
58.73750	0.9
59.01385	8.6
69.44583	6.0
71.01383	4.6
73.02972	2.1
81.03477	3.9
83.01405	5.8
85.02966	3.5
89.02464	2.8
93.03472	1.9
95.01408	3.4
95.05041	4.3
97.02967	11.4
98.19877	1.8
101.02470	3.8
106.34447	1.0
107.05050	1.7
108.02199	1.8
109.02964	31.1
110.03313	0.9
111.00932	0.8
111.04555	1.3
111.82884	0.8
113.02467	2.3
113.11140	0.9
117.03472	1.4
119.05033	9.3
121.02976	5.1
122.03784	1.3
123.00906	3.3
123.04539	20.4
125.02469	19.6
125.09790	1.3
126.02834	1.0
129.01953	1.0
133.02980	1.2
134.03700	2.0
135.04538	6.6
136.01640	4.8
137.02460	12.2
139.04036	5.1
143.05049	3.0
145.02968	2.8
146.03745	2.3
146.07382	2.0
147.04613	1.2
149.02434	5.2
149.06075	1.3
150.03177	1.1
151.00443	2.8
151.04027	18.5
152.04343	1.2
158.03798	1.0
159.04524	6.3
160.05304	2.6
161.02480	2.5
161.06085	7.1
162.03220	2.9
163.04056	2.5
163.11288	6.0
164.01219	3.6
165.01976	5.8
166.02731	2.9
167.03482	2.2
169.01482	1.0
169.06557	1.7
172.05365	1.1
173.06082	1.7
175.02702	0.9
175.04037	3.9
175.07716	5.3
177.01956	1.0
177.05557	2.5
179.03508	8.3
179.07121	2.1
181.05061	2.2
181.12355	7.9
185.02538	1.5
185.06088	1.6
186.03183	5.5
187.03983	8.4
188.04817	5.4
191.07141	1.9
196.05296	1.0
197.06096	2.8
198.06897	4.7
199.07687	1.5
201.05614	5.1
202.06390	3.1
203.07161	20.8
204.07549	1.0
205.05078	14.4
213.09142	1.8
215.12968	1.1
217.05173	1.0
218.05919	0.9
219.06531	1.2
221.08209	4.0
225.05557	3.1
225.11325	15.0
226.11609	1.7
227.07219	2.5
230.05963	1.6
231.02998	1.0
241.05057	1.7
241.08739	1.1
242.05853	1.2
245.08214	28.6
246.08583	2.7
247.06166	2.6
249.11421	1.3
257.08182	1.6
259.13516	1.1
269.04733	1.5
270.05292	4.5
271.05859	1.3
271.13583	2.0
274.04901	1.4
279.10556	0.9
284.06909	1.7
285.07697	22.2
286.08167	2.6
289.07214	100.0
290.07532	10.8
299.12970	3.9
325.10867	2.1
343.11880	32.8
344.12201	4.5
345.22775	1.1
357.09955	1.3
369.13614	1.8
373.70810	1.0
387.10785	3.9
387.14661	45.5
387.23938	9.4
388.14978	8.2
388.23996	1.1
396.94528	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2389
Annotation	Gerronemin A
Peak:m/z	Relative Intensity
50.79523	1.8
51.72565	1.6
59.01395	10.2
65.76553	1.9
71.54572	2.8
73.16479	1.6
79.94326	1.9
83.05032	6.9
93.07110	20.2
94.07433	2.2
95.05053	11.6
96.10197	1.7
97.06634	3.0
100.27379	1.7
102.23622	1.5
104.28680	1.8
118.78902	1.7
119.05037	1.9
123.08125	2.1
127.71832	1.8
135.08162	3.1
137.09727	6.9
138.10016	2.0
146.83794	1.7
149.09747	2.7
153.09239	2.0
195.72151	1.8
203.14423	7.3
243.17569	15.5
270.70123	1.7
275.84131	1.7
287.16537	8.4
288.16852	2.1
297.22275	29.4
298.22534	2.8
341.21182	11.3
341.24939	4.8
348.76758	1.9
385.23874	100.0
386.24295	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	386.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96887	27.5
58.48542	36.9
61.98837	100.0
62.02336	28.5
71.54620	44.4
107.86378	31.1
153.61079	31.9
173.46799	29.7
194.28824	29.7
196.30911	30.5
389.53131	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	386.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19172	38.2
57.66707	28.8
59.01387	100.0
61.98843	93.7
67.60424	27.4
68.45025	28.7
78.68532	26.4
89.04076	27.0
98.00108	35.3
119.05007	34.1
315.25418	59.1
343.71005	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69390	18.2
54.27282	19.2
59.01378	69.7
61.98830	68.9
71.54527	18.8
85.02947	23.3
103.04707	27.5
117.17162	18.7
130.74446	19.8
204.57379	20.3
311.22253	57.0
312.22626	100.0
357.66217	21.7
387.10934	37.0
407.59464	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	387.1092
Annotation	Umuhengerin
Peak:m/z	Relative Intensity
53.51185	0.4
55.01886	2.7
57.03462	0.5
59.01387	19.4
63.89275	0.4
68.99829	0.7
69.35506	1.7
69.35936	1.9
71.01392	5.4
71.82002	0.5
72.55391	0.4
73.02946	2.4
74.02458	0.5
79.01887	0.5
83.01397	61.3
84.01735	1.6
85.02959	2.0
85.04096	0.5
86.35110	0.4
89.02451	3.3
90.42065	0.4
94.47086	0.5
95.01420	0.7
98.19928	0.8
101.02461	3.1
105.03476	0.8
107.01411	0.9
113.02455	1.9
117.03456	2.1
119.03531	1.3
119.05041	2.6
121.02937	0.6
123.04538	0.9
125.02444	1.1
130.04256	0.8
132.02129	0.6
132.05881	1.0
134.03763	0.5
135.04494	0.7
137.02438	0.6
142.04216	0.6
143.05043	1.4
145.02995	1.2
147.04567	0.6
151.00436	0.8
157.06525	1.2
158.03735	1.9
159.04568	3.5
160.05200	0.9
161.04552	1.2
167.05110	0.6
169.06650	0.4
175.07669	1.6
177.05568	0.7
179.05627	0.6
181.04961	0.5
183.04518	0.6
185.02419	2.8
185.06068	1.1
186.03230	10.6
187.03828	0.6
195.04602	0.8
196.05302	2.7
197.06058	3.6
198.06802	1.3
201.05591	7.4
202.06026	0.8
208.05296	0.5
211.03963	0.5
213.05545	0.6
224.04857	1.7
225.05542	1.7
226.06389	2.8
239.10898	0.6
241.05028	0.9
241.08730	0.8
247.07855	0.6
248.08238	0.6
256.03729	0.9
263.10767	2.1
267.06674	2.5
269.04697	0.5
269.08148	0.6
271.06271	0.6
285.07693	1.3
320.08765	0.5
325.10898	0.7
328.09521	0.8
334.14807	0.5
343.08182	0.7
343.11896	4.7
344.12192	0.8
345.19052	0.9
345.22879	0.9
372.08487	13.4
373.08783	1.2
387.10889	100.0
388.11230	13.3
388.27130	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.2
57.03465	6.0
58.00621	1.4
59.01386	100.0
60.01717	1.7
66.87794	0.8
68.99847	0.9
69.03462	3.2
71.01391	40.1
72.99320	2.5
73.02944	7.0
74.92696	0.7
81.03464	0.8
83.01407	4.5
83.78790	0.8
85.02959	25.9
87.00892	4.5
89.02455	14.3
95.01401	3.0
95.05035	1.9
97.02953	1.9
99.00882	2.5
101.02450	14.5
102.64810	0.9
107.05034	1.8
109.02959	2.5
113.02458	11.9
119.03525	6.4
121.02967	2.9
124.01676	1.4
125.02444	3.3
125.09764	0.8
125.34480	0.9
129.01945	2.0
135.04616	1.0
137.02452	9.4
137.09747	1.2
138.03233	8.3
139.04025	9.8
141.01820	1.1
146.03775	1.2
147.03062	1.2
147.08249	0.7
151.11304	1.1
155.10756	0.9
159.02959	1.1
161.04599	4.0
161.09758	0.9
161.50426	0.9
163.11317	12.3
164.01173	1.4
165.01967	11.8
165.09235	3.5
166.02692	5.2
167.03427	1.1
171.08252	1.0
173.06068	1.1
175.07626	1.2
176.04881	0.8
177.09195	1.7
179.03557	0.9
179.10793	6.3
181.08766	0.9
181.10851	1.6
181.12364	24.5
181.13980	1.4
182.12634	1.8
187.11314	3.6
189.05531	0.9
189.12892	4.7
190.10039	4.1
191.02016	2.8
203.10799	1.1
204.11597	2.2
205.08698	2.3
205.12354	7.6
208.07402	2.9
209.03030	2.2
221.08179	2.6
222.08946	5.1
223.09779	67.0
223.13400	2.5
224.10138	5.4
229.08725	2.3
247.13423	1.6
307.64233	0.9
323.12939	2.3
367.11810	3.6
385.15076	25.5
386.15286	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.7
58.00606	2.9
59.01386	42.0
69.41337	8.9
69.41771	8.1
71.01392	25.4
72.28830	2.5
72.99277	2.9
83.01397	4.2
85.02962	35.2
89.02471	21.4
95.05041	2.1
98.19859	4.2
101.02444	9.7
113.02448	18.1
119.03493	7.8
120.05817	3.6
120.58322	2.7
125.02434	6.5
133.10245	7.4
135.11833	20.1
137.02467	6.8
146.07379	3.9
147.03091	2.9
159.11835	5.3
161.09727	33.7
165.01981	5.4
167.03479	4.6
170.05528	2.4
175.07655	3.8
179.05634	3.1
179.10812	100.0
180.11122	10.8
187.07500	3.0
191.01996	6.4
203.07184	2.7
203.10822	11.2
223.09798	50.2
224.10040	4.8
284.22458	2.5
287.25745	2.4
301.37326	2.4
367.11920	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	385.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08343	1.1
57.02250	0.9
57.03448	1.4
59.01389	27.7
69.41260	2.1
69.41662	7.2
71.01395	17.2
72.99317	1.2
75.00909	2.2
78.42220	1.1
83.01439	1.4
85.02968	9.6
87.00903	1.3
89.02451	12.5
95.01356	1.0
97.02952	1.6
98.19904	1.8
101.02475	7.2
108.02192	1.2
109.02946	1.5
113.02467	8.6
115.39938	1.2
119.03496	3.3
125.02448	1.2
135.11816	12.3
147.02962	1.2
152.01202	2.9
161.09741	6.7
179.10806	100.0
180.11136	7.4
191.01942	1.8
193.12413	2.1
203.10858	2.9
205.08762	1.9
221.11719	1.4
223.09781	34.6
224.10150	2.5
247.09573	1.2
265.10779	4.4
277.10498	1.0
341.02460	1.0
385.15347	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.9
59.01389	100.0
60.01735	1.7
61.75648	0.7
69.78393	3.9
71.01395	4.2
72.99320	1.0
73.02958	2.0
85.02958	10.9
89.02491	2.4
97.02959	0.8
99.00905	1.0
99.04589	0.8
101.02476	3.1
109.06666	0.8
113.02488	2.2
119.03560	0.9
121.03007	2.6
125.02480	1.7
135.11852	1.0
137.02438	1.4
158.96973	0.8
161.01018	1.5
161.02403	0.8
161.09766	1.4
163.04123	0.6
165.09206	1.2
167.03474	1.1
179.03592	1.6
179.10837	3.5
191.02045	2.2
203.10799	0.9
209.03061	1.5
223.09889	2.0
223.13387	1.4
237.31870	0.7
241.54578	0.7
288.15131	0.7
310.36252	0.8
355.43481	0.7
385.12036	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69281	1.8
50.84036	1.7
52.43058	1.9
52.47503	2.5
58.00604	2.2
59.01389	51.1
59.43723	1.9
61.24881	1.8
69.31734	7.0
69.32163	8.7
71.01385	31.3
72.99309	1.9
75.00883	2.2
85.02957	9.9
87.29879	1.7
89.02462	25.5
95.01366	2.1
98.20670	4.5
101.02469	10.8
113.02445	14.2
119.03519	6.9
120.05826	4.9
124.39174	1.6
132.56483	2.0
133.10260	7.4
135.11809	16.6
137.16992	1.7
146.07399	5.1
159.11845	5.2
161.09737	41.3
179.05603	3.2
179.10791	100.0
180.11145	6.5
203.10808	15.7
221.11859	4.5
223.09785	57.9
224.10141	5.1
265.10889	2.6
355.66183	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	385.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96481	2.4
55.01889	2.9
55.31082	2.2
57.03450	9.6
58.36358	2.4
59.01390	100.0
69.30049	16.3
69.30454	5.1
71.01397	25.2
73.02940	3.1
78.50422	2.3
81.03468	5.9
83.01415	8.2
85.02966	36.7
89.02457	23.1
92.01761	2.4
95.01401	4.0
95.05038	3.7
95.21918	2.1
97.02991	4.7
98.20618	4.0
99.04575	3.2
101.02464	9.0
108.02180	2.6
109.02972	2.9
113.02483	12.6
119.03529	6.7
121.02971	4.5
125.02465	30.3
131.03513	2.7
135.04584	4.0
135.11830	15.7
137.02464	44.5
143.03571	2.9
146.03775	7.7
147.03047	3.4
149.86237	2.8
151.04004	4.3
159.04575	5.6
159.11847	4.3
161.04572	3.0
161.09764	15.6
164.01141	16.2
165.01952	36.7
167.03490	17.8
172.05392	2.7
173.06126	7.9
174.03230	4.0
174.06912	2.3
175.07689	19.8
176.04776	3.4
177.01950	3.3
179.03561	13.8
179.05099	2.3
179.05505	2.4
179.10794	95.4
180.11131	7.9
181.12337	4.0
187.07710	4.4
189.09280	2.8
191.02037	5.9
193.12389	2.6
200.04782	3.7
201.05583	3.7
201.09370	3.2
203.07201	9.4
203.10818	12.9
204.11169	3.6
205.08690	6.6
205.12373	4.9
209.03168	4.4
211.04086	2.4
217.08743	6.1
221.11777	2.6
223.09787	55.4
224.10118	6.1
229.08685	19.8
239.10857	3.0
241.08827	3.0
247.09888	3.1
255.10233	2.8
265.10901	5.1
281.11798	5.0
282.12094	2.7
297.11353	4.0
299.12924	4.3
323.12943	14.9
341.10336	3.7
341.14139	3.5
350.47565	2.7
362.53470	2.4
367.11847	36.0
368.12225	4.8
385.12491	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	385.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60657	2.1
55.01876	2.7
56.65646	1.8
57.03468	10.6
59.01388	47.3
69.50616	14.1
69.51006	4.2
71.01389	34.2
72.99313	3.1
73.02972	4.6
75.00901	4.4
75.01311	1.9
77.86331	1.9
83.01403	3.0
83.05016	2.8
85.02957	62.6
87.00908	3.7
89.02454	23.1
95.01390	3.6
99.00894	2.4
101.02454	16.2
113.02463	22.0
119.03534	7.5
121.02985	2.5
125.06062	2.8
129.01945	3.4
133.10207	3.7
134.03767	3.1
135.04570	4.2
135.08249	2.2
135.11798	20.6
136.05301	3.7
143.03479	2.3
146.07344	3.1
147.02968	5.6
159.11743	3.6
161.04602	4.9
161.09727	24.0
165.01939	2.1
165.09169	4.0
177.12906	2.3
179.05589	2.8
179.10797	100.0
180.04326	7.0
180.11108	8.0
184.06297	2.8
187.39694	2.0
191.02000	13.9
193.12343	3.1
203.10814	9.0
205.08746	2.4
207.98270	2.5
209.03027	10.3
223.09796	45.6
224.10065	2.3
229.72159	2.3
243.18660	2.2
265.10791	4.8
346.87140	2.4
385.10883	2.9
385.14932	3.7
385.18979	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	8.6
57.06099	1.8
58.00595	2.2
59.01387	47.4
71.01392	30.3
72.99304	2.6
73.02950	3.9
75.00885	4.8
79.16953	1.7
80.68596	1.7
81.07128	1.9
82.85249	1.7
85.02461	4.1
85.02963	55.2
87.00868	2.9
89.02450	23.5
91.04919	1.6
95.01408	3.3
95.73598	1.6
96.00393	1.7
101.02457	13.8
107.08700	1.8
108.93037	1.8
111.04552	2.9
113.02468	19.2
119.03547	9.1
120.05814	2.5
122.03792	1.8
129.01944	4.0
135.11809	16.6
136.05339	4.4
146.07446	2.8
147.02994	5.5
159.08141	3.7
159.11774	4.9
161.04578	2.7
161.09749	26.5
162.10023	2.1
165.09233	5.1
177.12859	4.4
179.05656	3.6
179.10802	100.0
180.04282	6.5
180.11177	5.3
184.06158	2.2
191.01987	12.3
193.05034	3.1
193.12248	3.1
203.10782	10.1
204.11139	1.8
209.03091	9.5
221.11884	5.5
223.09789	48.6
223.13315	2.8
224.10088	3.8
257.30185	2.0
265.11011	3.5
385.10956	3.0
385.15097	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	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
57.03452	4.2
59.01387	100.0
60.01721	1.4
62.67694	0.8
65.97754	0.8
68.57367	0.8
69.69198	4.9
71.01389	6.5
72.99316	5.3
73.02970	1.2
75.00884	0.8
79.12682	0.9
83.01423	1.4
84.02174	1.2
85.02962	39.3
86.03297	1.3
87.00881	1.3
87.33889	0.8
89.02431	4.1
97.06610	1.5
98.19981	0.9
99.00900	2.7
101.02458	2.2
103.00398	0.8
108.02191	5.9
109.02942	2.5
113.02461	2.2
119.03489	1.4
121.02941	2.8
121.75629	0.9
125.02480	1.8
129.01999	4.0
132.68207	0.8
134.03749	1.3
135.04532	2.8
135.11816	1.0
137.02426	1.9
146.72299	0.9
147.02998	3.6
150.03249	0.8
152.01120	2.2
153.09209	1.3
161.00931	3.6
161.04582	1.0
161.09782	1.1
167.03519	2.0
179.03523	4.7
179.10805	7.4
190.13347	0.9
191.01999	9.1
208.03633	1.1
209.03065	5.9
223.09779	5.8
335.07654	0.8
385.11392	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	385.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39733	1.6
57.03456	12.6
58.79721	1.6
59.01387	100.0
69.03465	3.1
69.17490	16.9
71.01385	27.3
72.99338	2.7
73.02957	5.3
81.03468	6.2
83.01400	10.7
85.02959	26.1
87.00892	2.4
89.02457	21.6
89.42377	1.7
93.03468	4.2
95.01416	6.4
95.05037	3.7
97.02950	8.9
99.00890	1.7
99.04522	4.7
101.02456	13.5
109.02975	5.8
111.04536	2.3
113.02457	13.9
119.03518	6.5
120.02139	1.4
121.02975	6.2
122.03765	4.8
123.04544	3.4
124.01707	2.8
125.02460	55.9
126.02846	2.2
129.01990	2.7
134.03758	2.5
135.04546	4.4
135.11816	10.3
137.02461	73.1
138.03127	2.6
139.04028	3.7
146.03780	13.6
147.02986	2.5
148.05309	1.9
149.06128	3.1
151.04036	6.2
159.04561	5.6
159.08246	2.0
159.11792	4.0
161.04558	3.6
161.06049	2.9
161.09776	10.5
163.11328	2.9
164.01176	21.4
165.01944	60.4
167.03519	26.6
172.05304	4.5
173.06064	10.5
174.03204	8.0
174.06808	3.9
175.04051	5.2
175.07680	28.7
176.04805	8.8
176.08099	1.8
177.02005	8.6
177.12732	1.6
179.03523	15.3
179.05136	1.7
179.05611	1.7
179.10803	63.0
180.11163	5.1
181.05205	2.2
181.12379	6.9
187.04012	2.6
187.07664	7.1
188.04810	2.0
189.09206	3.8
190.02687	3.8
191.02031	3.9
191.03578	2.8
191.07056	1.9
199.07614	1.9
200.04820	6.6
201.05565	4.3
201.09222	5.0
202.06247	2.9
203.07132	12.3
203.10803	9.8
204.07716	2.5
205.08801	7.9
205.12381	5.2
208.07391	2.2
209.03096	3.2
211.04079	3.0
213.09212	2.9
217.08701	11.9
219.10135	1.5
221.11842	2.5
222.09047	2.0
223.07591	2.7
223.09781	51.7
224.10168	4.3
225.05673	4.3
226.06332	3.6
227.07204	2.8
229.08684	26.6
237.05515	1.9
239.10869	3.8
241.08751	3.8
244.07428	2.3
247.09679	8.4
251.07233	1.7
253.08601	1.7
254.09419	2.0
255.10275	4.7
265.11069	2.4
268.07437	3.1
270.08975	1.8
281.11865	7.0
281.76489	1.7
283.09860	5.5
288.06863	2.0
294.09030	2.4
297.11380	3.2
299.12906	7.8
323.12924	24.7
324.13318	2.6
341.10248	2.9
341.13968	4.7
349.10770	4.1
367.11887	56.4
368.12158	7.8
385.12723	21.7
386.13739	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	385.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77573	0.6
59.01384	3.9
65.00336	4.4
68.99846	2.1
69.29644	5.5
69.72985	0.6
69.73389	0.6
83.01400	2.3
85.02968	2.7
91.01876	2.9
95.01379	0.7
96.99316	1.0
107.05052	1.5
108.02240	0.9
109.02959	3.3
110.00105	3.3
119.05054	1.0
120.83034	0.6
120.99358	0.7
121.91516	0.6
123.00916	3.1
124.01710	3.9
133.02989	0.8
133.06612	9.6
134.03784	2.8
135.04544	100.0
135.08188	1.8
136.01682	2.5
136.04845	4.9
136.98851	2.1
137.02472	2.7
137.99631	2.0
139.00398	0.9
143.05016	0.6
147.04506	0.9
149.02463	2.0
151.00378	3.1
152.01183	5.8
152.95685	0.6
152.98366	1.4
156.00693	0.7
161.02492	2.1
161.06075	0.8
163.00389	4.1
163.04036	4.8
163.07713	1.7
164.01160	2.0
164.98311	16.1
165.01877	3.0
165.99031	1.9
175.04066	1.1
176.04803	1.9
177.01990	2.0
177.05566	6.2
178.06410	2.9
178.99875	1.8
179.07162	3.3
180.00641	3.1
185.15477	0.6
186.03252	0.9
189.05603	1.8
190.99863	1.2
191.03558	3.2
191.07089	3.1
192.07961	3.7
193.04944	0.7
201.05719	1.0
203.03563	1.6
205.01465	1.3
205.05092	10.6
205.08658	5.7
206.05878	2.2
207.06647	17.1
208.07286	1.5
213.05634	0.8
215.03596	2.7
216.04253	1.2
217.05067	0.8
219.06717	2.1
220.07390	6.1
221.08018	1.2
223.09840	4.7
233.04581	1.7
234.05357	22.1
235.06129	24.4
236.06508	2.3
243.06760	0.8
247.06129	1.0
248.06909	15.6
249.07703	67.4
250.07938	4.9
251.72081	0.6
261.07733	0.9
267.08899	0.7
275.09308	0.7
301.03619	3.0
303.21786	2.3
324.09915	1.3
327.12369	2.6
352.09488	3.7
370.10587	31.8
371.10886	4.9
385.12952	42.1
386.13345	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	385.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82692	0.5
57.03452	1.1
59.01368	2.7
65.00337	3.8
68.99811	6.4
70.39639	1.3
70.40004	1.7
71.01393	1.0
77.55541	0.6
79.01900	1.7
83.01395	1.5
85.02957	4.9
87.04536	1.1
91.01889	7.3
93.03464	1.1
95.01380	2.8
96.99326	5.7
97.02937	1.6
98.20025	0.6
103.90742	0.6
105.07080	0.6
107.05042	1.4
108.02174	1.6
109.02972	0.8
109.06596	1.1
110.00099	9.7
111.00932	3.0
117.07067	0.7
119.05034	4.7
121.02966	1.8
123.00887	8.3
123.04546	1.2
123.08183	2.1
124.01677	4.6
124.98827	0.8
125.02441	1.2
131.05026	0.9
133.02966	1.7
133.06572	3.6
134.03731	1.1
135.00957	1.1
135.04523	3.7
135.08147	1.6
136.01671	2.2
136.98798	0.8
137.02448	3.6
137.99588	6.5
138.06863	1.1
139.00386	11.5
140.00784	0.8
141.99066	0.7
147.04517	4.1
147.08165	1.2
149.02446	4.0
149.06093	1.8
150.03102	1.0
150.06915	0.8
151.00380	13.1
151.07631	0.8
152.01160	4.3
153.01942	3.8
154.02658	1.1
155.10779	2.7
156.00636	1.0
159.04456	1.0
161.02437	1.0
161.06056	3.0
162.06836	1.0
163.00383	13.2
163.04013	14.7
163.07649	2.6
164.01065	1.4
165.01941	14.9
165.05588	2.0
165.99075	2.6
166.02385	0.8
166.99869	3.6
168.00613	2.4
173.06088	1.0
175.03967	0.8
175.07617	0.7
177.00525	0.8
177.01959	8.8
177.05551	5.0
178.02650	0.9
178.06355	10.8
178.99846	5.6
179.07188	4.0
181.01434	3.8
181.08734	3.7
182.09096	0.7
188.04681	0.9
189.01958	1.1
190.99901	3.0
191.01938	1.1
191.03497	9.0
191.07210	3.1
192.04129	0.8
192.07858	1.1
193.01428	17.1
193.05057	1.9
193.08701	5.0
194.99359	1.5
200.04729	0.8
201.05597	1.2
203.03517	2.2
203.07164	0.8
205.05042	5.4
205.08691	1.3
206.05891	6.0
207.06621	16.9
208.07394	12.6
209.00926	1.9
209.02888	1.0
209.08005	1.1
213.05605	0.8
215.03467	2.3
216.04271	3.1
217.05017	2.1
219.03043	1.9
219.06628	4.6
220.07449	3.1
221.04567	1.6
221.08003	1.3
223.09770	16.1
224.10028	1.3
229.05022	5.3
231.06577	2.1
233.04526	2.2
233.08211	1.4
234.05336	46.9
235.06097	35.1
236.06889	30.6
236.08803	0.4
237.07463	5.4
241.05046	1.3
243.06702	1.6
247.06091	2.1
249.07654	3.4
251.09357	0.7
255.03351	0.8
255.06598	1.3
257.04538	5.1
258.05133	0.8
259.05878	1.0
263.05600	27.4
264.06052	2.4
265.07156	1.4
271.06192	4.0
273.04025	0.9
277.07211	5.2
281.11887	0.9
284.10660	0.9
287.05753	1.1
297.11154	0.9
299.05780	5.4
300.05875	0.9
301.03528	1.7
309.11322	1.4
313.07346	1.2
326.11600	8.9
327.21683	0.7
341.13690	3.1
342.11078	58.5
343.11368	6.8
352.09387	1.7
353.10178	1.9
357.13437	42.1
358.13733	6.4
367.11798	1.9
370.10541	19.6
371.10983	2.5
385.12939	100.0
386.13333	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	385.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	6.2
57.03698	1.6
59.01390	11.6
63.02398	2.4
65.00326	4.0
71.01371	1.6
71.54890	2.8
81.69382	1.2
83.45773	1.4
85.02962	13.1
95.01407	1.8
101.02464	2.3
108.56676	1.5
109.06615	4.0
119.05031	4.7
121.02960	1.9
123.00852	2.1
124.01684	16.4
125.09733	6.2
133.02940	1.8
133.06609	7.8
136.01660	2.7
137.02477	2.4
149.02431	9.1
149.09724	3.5
150.03221	4.4
151.00381	4.3
151.07701	7.6
152.01201	10.7
161.02512	2.4
163.04099	1.6
165.01962	12.1
174.62224	1.6
175.07643	2.6
176.01126	2.3
177.00508	2.6
177.01956	31.2
178.02406	1.7
178.99829	2.5
186.03244	2.7
187.04037	2.4
188.04720	1.9
191.02016	2.7
191.07123	1.7
192.04250	4.6
193.08704	47.4
194.09128	2.7
198.75838	1.3
201.05571	7.2
203.07137	1.8
205.05125	5.4
207.06625	3.8
209.03136	1.9
219.06650	13.0
220.07451	9.0
221.08028	2.0
225.05731	1.6
231.06537	3.1
233.04630	1.5
247.06102	4.1
273.04138	2.0
303.21811	2.3
311.84341	1.4
341.13913	8.1
342.14380	1.5
357.13455	51.4
358.13879	7.1
367.11755	2.1
385.12955	100.0
386.13327	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	385.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.4
57.03455	12.4
57.39760	1.1
58.00601	2.1
58.34269	1.4
59.01389	61.9
60.01730	1.4
60.33278	1.2
61.98830	1.5
68.99825	2.1
69.03471	2.1
69.29557	7.9
69.29958	2.9
71.01394	36.7
72.99310	6.8
73.02956	5.1
75.00881	22.8
80.91682	2.0
83.01398	3.8
84.02173	1.3
85.02961	69.5
86.03313	3.1
87.00885	8.8
89.02455	13.0
91.05545	7.7
93.03493	1.6
95.01404	5.9
98.20704	2.9
99.00892	16.6
101.02452	10.4
102.98615	1.5
103.00393	3.6
107.05025	1.5
111.00835	3.2
113.02469	34.2
115.00385	2.0
117.01945	4.8
119.03533	4.0
125.02464	1.6
129.01970	4.5
134.03711	1.7
135.04546	100.0
136.04884	5.7
137.02466	2.3
137.27805	1.4
139.09503	1.5
147.02979	2.8
161.04568	1.8
163.11339	4.0
167.35745	1.3
175.02516	3.8
179.03551	2.0
179.10771	4.5
181.12389	5.3
191.01979	11.0
193.05069	1.4
205.12390	2.6
209.03043	7.4
223.09698	4.4
223.13336	2.3
231.05196	6.3
249.06190	65.5
250.06538	4.0
367.10489	1.7
385.11459	55.3
386.11859	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	385.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72285	0.5
55.01878	1.9
57.03455	12.3
59.01381	5.7
65.33273	0.5
69.50140	1.3
69.50562	1.8
71.01392	3.1
72.99320	1.0
75.00867	0.8
83.01395	2.1
84.02180	2.6
85.02959	100.0
86.03303	2.0
87.00890	1.1
89.02421	0.7
98.20726	1.1
99.00917	0.5
101.02451	0.5
103.00381	1.3
111.00864	1.1
115.00449	0.8
129.01959	6.2
134.03758	3.8
147.03015	10.2
169.37939	0.5
174.01721	1.0
188.07011	0.5
191.01999	23.4
192.02342	0.8
193.05072	1.4
209.03035	6.1
223.04570	1.5
335.69055	0.5
385.11609	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1144
Annotation	1-O-b-D-glucopyranosyl sinapate
Peak:m/z	Relative Intensity
52.13633	0.5
57.03440	1.3
57.33798	0.6
59.01118	0.9
59.01386	12.6
61.98854	1.0
69.70476	2.8
71.01391	6.6
71.04298	0.6
85.02966	9.7
89.02462	4.9
91.01877	1.4
95.17080	0.6
98.20625	0.6
101.02446	2.5
108.18205	0.5
112.78393	0.5
113.02443	2.1
114.57064	0.6
119.01373	3.9
119.03484	1.2
121.02959	0.8
133.90814	0.5
134.03749	1.3
135.04582	0.7
145.34500	0.6
147.00900	4.1
147.03035	0.7
149.02452	9.3
162.03246	0.6
163.03986	1.4
164.04805	8.2
165.02007	1.2
165.05202	0.6
175.00381	29.5
176.00662	0.9
177.05684	0.6
179.07140	2.2
189.01984	1.3
190.02734	71.4
191.01637	0.9
191.03317	3.6
193.01439	1.7
193.05086	1.2
199.41841	0.6
205.05074	100.0
206.05479	7.8
208.03749	3.3
209.03018	2.6
217.01373	0.7
221.08151	1.6
223.06145	23.6
224.06505	1.4
232.03816	1.1
247.06136	5.4
265.07315	3.0
277.37759	0.6
295.08438	0.8
325.09299	2.4
385.11496	5.1
386.11966	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.7
55.81581	0.7
57.03458	12.5
59.01385	10.6
64.44351	0.8
71.01388	6.5
71.27547	1.3
72.99302	2.2
75.00864	1.6
82.17666	0.9
83.01389	2.3
84.02172	3.2
84.69644	0.7
85.02962	100.0
86.03293	2.1
86.76838	0.7
87.00890	1.2
89.02452	2.4
103.00365	0.9
109.55975	0.8
111.00875	0.9
125.13378	0.9
129.01945	7.2
133.01425	2.9
134.03760	3.6
147.03020	9.0
149.02367	1.2
160.36212	0.8
175.00481	0.9
177.04436	0.8
178.20953	0.8
191.02008	26.8
193.05040	1.1
205.03516	1.1
209.03046	56.0
210.03418	2.1
223.04523	3.0
223.06415	1.2
245.68384	0.7
358.58456	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.8
57.03456	14.5
58.08121	0.8
59.01392	10.9
64.85764	0.9
70.73288	0.7
71.01389	9.8
72.99324	3.2
73.02979	1.1
75.00876	1.3
76.02570	0.8
83.01422	1.4
84.02187	3.1
85.02962	100.0
86.03307	2.3
87.00897	3.1
89.02443	3.3
101.02495	2.2
103.00373	1.9
110.48009	0.7
111.00885	1.9
111.96957	0.8
119.23499	0.7
123.04543	1.6
124.29591	0.8
129.01996	4.7
133.01445	3.2
134.03735	6.4
134.09830	0.9
136.05336	2.0
147.03029	10.4
148.03365	1.0
149.02432	2.2
149.06117	0.8
161.06085	2.0
163.07666	1.2
164.04884	1.4
181.08740	2.9
190.02663	2.7
191.02005	25.1
192.02441	1.3
193.05090	2.2
205.05110	5.1
209.03058	45.3
210.03409	2.2
223.06265	4.2
229.08714	1.2
265.07193	3.0
265.10468	1.0
295.08441	1.4
329.52957	0.9
349.09622	1.1
367.10321	3.2
385.11462	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	385.078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.5
57.03205	0.9
57.03461	13.3
59.01384	6.4
62.31236	0.7
67.01872	0.7
68.99814	0.8
71.01395	5.0
71.04932	1.2
71.05252	0.8
72.99311	2.0
75.00880	1.8
83.01395	2.3
83.03217	0.7
84.02174	3.3
85.02962	100.0
86.03296	2.3
87.00881	1.8
89.02457	1.5
103.00389	1.6
111.00921	1.8
118.79168	0.6
129.01958	5.7
133.01477	1.7
134.03748	4.0
136.98335	0.7
142.48349	0.6
147.03009	10.6
155.87277	0.8
191.00250	1.5
191.01996	27.4
193.05043	1.5
209.03053	23.2
210.03384	1.2
223.04637	2.4
226.70470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.8
57.03456	11.5
59.01388	7.4
61.35797	0.6
68.99841	0.8
71.01395	4.4
71.29499	1.2
72.62075	0.5
72.99312	1.8
75.00884	1.4
76.30842	0.6
83.01403	1.7
84.02187	2.3
85.02964	100.0
86.03303	3.3
87.00911	1.1
89.02460	1.1
103.00381	1.8
129.01970	6.0
133.01450	1.4
134.03760	3.9
147.03030	7.9
165.13182	0.5
191.02019	22.3
192.02235	0.6
193.05066	2.4
209.03064	14.7
223.04659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.9
56.32514	0.8
57.03458	17.0
59.01378	8.8
70.73409	2.6
71.01389	2.7
72.99307	1.7
73.90514	0.9
75.00863	1.1
83.01405	1.8
84.02179	1.8
85.02964	100.0
86.03291	1.9
87.00877	1.2
96.44593	0.8
98.07687	0.7
100.92623	0.8
103.00394	1.1
111.00927	0.9
129.01958	3.6
134.03769	4.6
147.03021	8.6
169.01170	0.9
191.02008	25.8
193.05087	3.7
209.03044	10.2
223.04567	2.6
248.08589	0.9
254.04604	0.9
293.58276	0.9
323.30374	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.4
57.03456	14.1
59.01381	9.2
65.16225	0.9
68.99808	1.2
70.06161	2.6
71.01392	9.5
75.00870	2.3
83.01384	2.4
84.02174	2.3
85.02961	100.0
86.03291	3.3
87.00874	2.3
89.02451	3.8
90.98775	0.9
103.00372	1.7
111.00914	0.9
111.54937	0.8
119.51822	0.8
129.01974	4.3
133.01459	4.0
134.03751	5.6
147.03055	6.9
150.95427	0.9
191.01988	24.8
192.02284	1.3
193.05112	2.4
209.03049	51.5
210.03433	2.2
229.10953	0.9
271.30063	0.9
308.02844	1.0
331.54068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11114	1.8
53.22936	1.4
53.51401	1.5
57.03452	4.4
59.01377	7.2
59.05463	1.6
61.98834	2.4
63.45755	1.7
69.86753	1.5
71.01389	3.2
89.02448	1.8
99.14388	1.5
101.02514	1.9
109.06620	3.1
110.47260	1.7
117.03458	1.8
119.05024	24.0
120.05379	2.1
124.01685	5.8
125.06119	2.1
125.09753	4.1
145.06580	1.9
145.51552	1.8
149.09750	3.4
157.02812	1.7
162.89487	1.5
163.11308	2.1
165.12894	4.8
167.14214	1.3
183.04514	4.3
184.05252	2.3
186.03198	2.9
189.05560	2.1
193.08730	34.1
193.12390	1.7
194.08974	2.2
195.13821	3.1
199.07724	7.8
201.05605	1.7
211.03935	2.4
211.13467	3.0
221.15488	2.9
226.13863	2.0
235.09836	2.0
235.32753	1.6
245.08186	3.3
247.20599	4.3
251.10808	1.6
267.13895	7.6
269.08167	1.8
273.18472	3.0
280.11118	2.0
291.19656	32.9
292.20078	5.0
295.13538	3.8
304.95050	1.7
309.20743	100.0
310.21063	10.4
311.12909	13.5
312.13202	1.8
339.12430	2.8
365.13828	7.6
366.14435	1.9
383.11258	5.4
383.14932	6.2
383.24393	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.0
70.77103	1.7
70.77416	3.0
87.38764	1.5
121.54464	1.6
126.70387	1.5
143.76355	1.5
285.02747	1.7
321.31677	57.8
322.31976	6.8
339.32745	3.0
365.30597	16.1
371.69583	1.9
373.41882	1.8
383.31671	100.0
384.32001	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	383.1505
Annotation	Laccaridione A
Peak:m/z	Relative Intensity
52.25927	0.4
53.28704	0.4
57.58543	0.5
59.01392	0.8
63.02410	0.5
63.71103	0.4
65.00331	3.5
67.01934	0.4
68.99830	3.0
71.01389	0.6
71.23921	0.4
71.53801	0.8
73.24859	0.5
78.35487	0.4
83.01396	0.9
85.02975	0.8
95.01411	0.5
107.01405	0.5
107.05032	0.6
109.02969	0.5
109.06598	2.2
109.53123	0.4
119.05046	23.5
120.05395	2.3
121.02943	0.9
124.01688	0.5
126.49921	0.5
131.01366	0.8
133.02962	1.7
133.06619	12.0
134.03766	4.9
135.04558	4.9
136.01651	0.5
145.02986	0.7
147.04538	1.3
149.02478	1.5
149.06082	6.6
149.99608	0.9
151.00394	1.2
151.07674	2.9
157.06595	0.8
159.04506	1.0
159.08177	2.1
161.02467	4.6
163.00381	2.0
174.03279	0.7
175.00400	3.5
175.04056	3.2
175.07681	2.9
176.01123	1.8
177.01906	1.7
187.03967	0.5
188.04744	0.5
189.01947	1.5
189.05528	2.5
190.06380	3.4
191.07132	1.4
193.08720	0.6
196.00186	0.7
198.03146	1.0
199.04021	3.6
200.04512	0.5
201.01942	1.4
201.05531	0.6
203.03496	1.8
203.07141	7.5
204.07851	1.4
212.04816	0.9
215.03653	1.0
216.04167	0.6
217.05048	3.0
218.05872	2.9
219.06642	18.4
219.08795	0.9
220.00127	0.6
220.06999	1.7
221.08298	2.5
222.08464	0.6
227.03603	0.5
229.05249	0.5
229.08798	0.6
231.06602	1.6
232.07423	2.5
240.04260	1.3
264.06400	2.3
267.10217	2.0
271.06104	1.2
281.11697	0.5
284.03381	1.0
297.07547	0.7
299.05621	1.9
300.06424	1.0
307.05820	0.5
309.11319	2.3
313.07013	1.0
314.07999	0.7
323.12921	18.1
324.13229	2.6
325.07217	4.6
325.13586	2.1
339.12427	0.8
339.16174	1.3
353.10257	2.6
354.10300	0.5
367.11993	1.3
368.12665	4.7
383.15027	100.0
384.15445	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	383.148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98596	13.3
57.02492	13.6
59.01371	61.6
69.58982	11.8
71.01401	18.1
73.02951	14.4
78.95930	14.6
83.01420	12.7
85.02946	41.3
89.02421	19.6
113.02441	18.9
135.04538	35.6
179.03468	29.8
257.52094	15.0
282.70926	13.1
286.04639	14.3
297.07520	21.3
365.06946	15.4
367.72833	13.9
383.07758	100.0
383.13477	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	24.2
59.01383	100.0
61.98827	33.9
71.01389	69.4
71.55244	20.2
72.99321	19.1
73.02956	28.0
75.00886	16.7
80.48340	15.6
85.02951	44.9
97.02983	16.2
99.00887	22.1
101.02449	17.4
101.07569	15.4
113.02477	31.8
131.03513	17.8
143.03647	17.7
147.04588	29.0
149.04568	62.1
161.91185	15.2
205.03593	20.8
239.51683	16.9
258.09244	19.7
258.59390	21.3
267.07251	31.6
311.15625	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	383.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.1
62.13072	0.6
65.28319	0.6
70.94807	1.1
71.01408	0.8
75.20385	0.6
80.23042	0.7
93.03481	2.4
103.01866	1.0
109.02938	1.8
116.10301	0.7
119.05046	2.6
121.02971	18.7
131.01433	4.9
135.04514	1.3
136.01651	0.7
137.02429	3.2
139.04063	1.4
148.01637	0.8
149.02475	8.6
151.00371	2.0
163.00388	13.8
164.01093	1.2
175.00392	49.0
176.00865	3.1
177.01929	1.0
188.01157	1.7
189.01915	2.2
193.08731	2.4
201.05782	0.7
202.99940	7.5
203.03506	2.6
213.12791	1.0
217.01340	0.9
217.05057	1.3
218.05917	0.7
219.06622	0.7
241.05049	2.8
245.08319	0.9
251.03519	0.7
253.05058	2.6
257.04672	0.9
263.03525	0.8
269.04614	1.8
279.03104	0.9
281.04526	1.1
297.04221	3.2
300.02887	1.0
309.20679	1.2
313.03586	24.4
314.03784	3.2
325.03561	43.1
326.03864	5.2
339.04968	1.0
351.08655	1.2
353.06610	1.1
365.09677	0.7
365.14014	1.9
368.09027	29.9
369.09491	3.6
383.11346	100.0
384.11661	15.2
384.16098	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00298	0.5
71.01012	0.8
71.01360	0.9
71.31335	0.5
83.01414	0.7
93.03471	1.2
109.02961	1.1
118.48161	0.4
119.05023	1.3
121.02971	13.0
131.01419	3.2
133.06642	0.7
135.00868	0.6
136.01669	2.0
137.02431	1.9
139.04008	1.3
148.01642	0.7
149.02477	5.4
151.07597	0.6
161.02481	1.3
163.00383	9.5
163.07591	0.8
164.01019	0.8
175.00380	32.2
175.07693	0.6
176.00894	2.8
187.50975	0.6
188.01134	0.9
189.01906	1.5
190.99876	0.6
193.08702	1.4
197.06105	0.7
202.99875	5.8
203.03540	1.8
207.04619	0.5
211.91202	0.6
217.05051	1.4
219.06572	1.1
241.05067	2.3
243.65929	0.5
243.90898	0.5
253.04953	1.4
256.03232	0.5
269.04587	2.0
271.11423	0.5
281.04599	0.7
285.03986	0.9
297.04041	2.1
300.02695	0.9
311.79657	0.5
313.03561	18.8
314.03900	2.2
325.03568	28.1
326.03983	2.9
339.05002	0.6
353.06778	0.9
360.04904	2.1
365.14032	0.6
368.09030	8.9
369.09244	0.8
383.11362	100.0
384.11716	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	383.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00334	0.9
68.99849	0.7
69.47660	1.8
69.48085	1.6
79.01886	0.5
87.07594	0.5
91.01913	1.3
93.03476	3.4
93.04029	0.4
98.20663	0.8
102.04805	0.4
108.02135	0.6
110.00129	2.4
112.48370	0.4
119.05019	3.1
121.02954	0.6
123.00887	1.1
123.04550	0.8
133.02951	0.5
133.06607	1.8
135.00879	0.6
135.04549	1.0
137.99631	2.4
145.02927	0.5
147.00826	1.0
149.02403	1.0
149.06062	0.4
151.00375	1.6
152.01152	1.3
163.00415	3.3
163.04057	2.9
163.38509	0.5
164.01157	0.8
164.98334	0.6
165.01860	0.5
169.06702	0.6
175.00343	1.0
175.89392	0.5
176.01169	1.0
177.01891	1.5
177.05576	1.4
178.06325	2.2
178.99860	1.4
179.07109	2.2
185.06093	0.5
187.04047	0.9
188.04747	0.7
189.05577	1.9
190.99896	1.1
191.03528	2.3
191.07182	2.1
193.01460	0.5
193.08673	1.8
202.99982	2.4
204.04253	0.8
205.05063	6.3
205.08563	0.5
206.05888	2.3
207.06641	3.6
211.03951	0.9
213.05563	1.0
215.03456	0.9
216.04210	0.6
217.05013	1.3
218.05692	0.7
219.06587	1.5
225.05592	1.0
227.03488	1.2
228.04111	0.5
229.05037	1.0
231.10152	0.6
233.04527	1.6
234.05354	17.5
235.05890	3.3
239.03287	0.7
240.04440	1.0
241.05028	2.8
243.02977	2.3
245.04495	0.5
245.08060	0.9
247.06125	1.4
249.07690	1.8
253.05054	1.1
255.03006	1.7
255.06512	0.5
256.03812	3.1
257.04459	0.8
267.03122	0.6
268.03790	0.8
269.04605	4.2
271.02515	1.1
279.03217	0.7
279.06799	1.2
281.08276	2.0
284.03259	2.1
285.04102	6.0
289.05151	0.5
295.09705	3.6
296.03424	0.7
296.06827	1.0
296.10178	1.0
297.04080	24.2
298.04395	2.6
307.06143	1.1
311.09265	10.4
312.09625	1.9
313.03577	2.9
322.08340	0.6
323.09351	1.0
324.09814	0.8
325.03531	3.2
325.07205	5.0
326.03943	0.5
326.07495	0.6
327.05124	0.5
335.47336	0.5
339.08704	5.4
340.09494	4.1
351.08734	1.0
353.06558	0.8
365.13916	1.9
367.08295	3.2
368.09033	42.4
369.09354	6.1
372.08545	1.8
383.11371	100.0
384.11716	14.5
384.16663	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88805	1.0
59.01378	4.7
71.01387	2.7
71.55486	1.4
73.02975	1.0
73.61479	0.9
78.95924	6.9
79.95757	3.4
85.02988	1.4
87.00839	1.2
89.02418	1.6
96.96022	100.0
107.01420	1.3
113.02438	1.5
133.50018	1.1
151.00368	5.0
152.99629	5.4
285.03961	1.8
290.66763	1.2
301.07217	8.3
303.07782	3.0
355.98419	3.2
383.00955	3.6
383.15372	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1138
Annotation	Ebenfuran VII
Peak:m/z	Relative Intensity
53.14561	0.7
59.01373	3.2
65.75507	0.7
69.57188	4.6
71.01386	0.9
75.61889	0.7
78.95901	1.1
81.44437	0.7
96.96018	5.6
101.02434	0.9
105.03401	1.0
119.05060	1.4
121.39511	0.7
137.02374	0.9
148.01707	4.4
149.02461	2.1
150.03227	1.9
151.00389	0.8
161.02414	1.1
163.00314	0.9
188.33658	0.7
189.01993	1.8
190.02759	0.8
197.06056	1.4
209.06018	1.2
211.04073	0.8
225.05634	4.4
226.06300	2.5
227.03494	2.0
228.04115	0.7
237.05582	1.2
241.05083	5.7
242.05598	1.3
252.04291	1.0
253.05084	6.4
254.05602	1.1
255.02994	2.4
269.04584	9.5
270.05087	1.9
280.03531	1.2
281.04611	1.4
283.02502	1.8
295.02341	0.9
297.04083	18.1
298.04840	76.7
298.70071	0.7
299.05145	8.4
308.06558	0.7
312.06403	1.9
313.07214	24.4
314.07578	2.0
344.05350	7.3
350.07904	3.2
365.10263	3.9
368.09149	1.0
381.09457	1.0
383.11398	100.0
384.11774	14.7
385.38586	0.8
390.10275	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95333	0.5
55.01909	0.5
57.03447	0.5
59.01385	100.0
60.01715	1.2
69.27280	4.2
70.53164	0.6
71.01389	4.7
73.02948	1.8
83.01388	0.5
83.05006	0.4
85.02964	2.6
87.43373	0.5
89.02477	1.6
95.01408	0.6
96.96028	2.9
99.00895	0.7
101.02455	4.8
113.02448	2.6
115.00402	0.7
119.03524	0.7
159.03047	1.0
161.04570	5.0
181.75255	0.4
321.19238	8.3
322.19656	0.8
363.04498	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17487	1.3
59.01386	100.0
81.14897	1.1
88.77284	1.1
92.33463	1.3
113.64278	1.2
145.48872	1.2
328.22794	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14719	0.8
54.50265	0.8
55.01886	5.1
56.24609	0.7
57.03449	4.1
58.00598	1.0
59.01385	34.8
66.45989	0.8
69.03455	1.8
69.16732	5.1
69.17152	3.2
71.01392	42.3
72.99310	1.1
73.02956	24.7
74.03259	1.0
75.00897	2.0
83.01397	11.3
85.02461	1.6
85.02962	28.5
86.00105	1.2
86.03313	1.0
87.00877	2.3
87.08187	1.6
89.02458	10.0
95.01385	3.2
97.02944	2.5
99.00894	10.0
101.02455	54.6
111.00924	2.1
113.02460	21.8
115.04025	1.7
125.02459	2.6
129.01973	2.3
131.03520	2.4
143.03499	2.0
149.04544	1.9
157.08766	1.0
159.02969	4.0
161.04572	19.4
183.10310	1.9
187.53114	0.9
205.03540	0.8
233.06708	1.6
249.13446	100.0
250.13692	7.8
293.08759	0.9
373.14432	0.9
381.17679	74.7
382.18008	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	381.177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29207	0.9
55.01883	5.4
57.03436	3.6
58.00595	1.5
59.01384	33.3
69.03458	1.7
70.39992	0.8
71.01389	43.1
71.54617	1.3
71.54983	0.9
72.99300	1.7
73.02562	1.6
73.02956	24.6
74.14301	0.9
75.00906	1.0
77.55793	0.8
83.01392	13.6
85.02464	1.9
85.02956	27.3
86.00100	1.7
86.03338	1.1
87.00877	3.3
89.02451	9.0
95.01386	4.2
97.02970	2.2
99.00891	12.4
99.04501	1.0
101.02452	51.9
111.00853	1.1
113.02462	20.8
115.04053	1.8
125.02457	2.6
129.01923	2.1
131.03470	2.0
143.03522	2.1
149.04568	1.6
159.02977	3.4
161.04559	16.6
205.98593	0.9
233.06601	2.6
249.13441	100.0
250.13828	6.2
316.87589	0.9
381.06650	1.7
381.17609	67.7
382.17953	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	381.1707
Annotation	Penicitrinol A
Peak:m/z	Relative Intensity
59.01385	1.8
61.98822	0.4
68.99828	7.4
70.00169	0.4
71.54333	0.6
78.95939	0.6
83.74273	0.4
93.03391	0.4
95.01401	0.5
96.99322	0.9
100.88430	0.4
107.05029	0.4
111.40385	0.4
119.05042	10.8
132.05830	24.5
133.06184	1.2
145.02962	1.0
159.08185	0.8
160.08788	0.5
164.04808	18.1
165.05258	0.8
167.07153	3.7
174.99197	0.7
184.30034	0.4
185.09756	0.5
187.11302	100.0
188.04724	0.5
188.11644	8.0
190.95166	0.4
199.04044	0.7
200.04826	0.5
202.10017	0.6
203.07130	2.5
211.11276	2.0
213.09251	1.2
217.00227	2.4
221.08195	1.8
227.03503	0.5
228.04250	1.5
229.05043	1.5
229.12332	1.6
241.05066	0.9
249.09576	0.4
255.10309	2.2
269.08286	0.8
283.09778	1.6
284.10455	2.6
316.09595	0.5
323.12943	10.9
324.13281	1.8
381.17099	52.2
382.17416	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	381.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79890	1.2
55.01886	2.4
55.50908	1.3
57.03448	5.8
59.01387	64.2
60.01731	2.7
69.40973	9.9
70.21272	1.2
71.01393	29.8
71.05017	1.8
72.99339	2.4
73.02965	6.8
75.00886	1.9
83.01404	3.6
85.02951	13.9
85.06606	1.9
87.00877	2.1
87.04532	7.6
89.02459	19.0
89.40124	1.2
93.03474	4.8
95.01389	1.8
95.05009	1.3
98.19968	2.9
99.00903	1.8
100.06161	1.4
101.02454	18.4
101.06113	4.6
113.02467	10.2
113.06113	3.6
115.04035	1.7
117.27404	1.2
119.03477	6.5
137.02473	14.1
138.05653	3.0
139.11337	1.7
143.03500	1.5
147.31079	1.3
155.10809	2.0
159.10324	2.1
159.85834	1.3
161.04575	9.2
177.01967	3.8
179.05661	3.1
183.10286	1.8
201.11331	17.1
206.04633	1.5
219.12407	22.4
299.07684	2.1
321.06454	1.4
321.15561	17.9
322.15833	3.0
363.12396	1.5
363.16589	7.0
364.17050	1.4
381.17706	100.0
382.18686	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	381.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	11.2
61.98841	3.7
63.02394	6.6
65.00330	13.0
71.54023	1.6
83.01417	9.4
87.65290	1.2
92.53543	1.2
95.51167	1.3
96.96020	1.1
102.48466	1.1
107.01410	24.5
107.02068	0.9
109.52788	1.1
119.98657	1.0
125.02463	2.6
146.07388	22.4
147.07747	1.4
151.00385	100.0
152.00703	3.5
152.04924	1.1
153.71288	1.1
154.06395	1.8
160.98746	1.1
169.01399	3.3
174.99248	3.9
178.06357	30.3
179.06659	2.5
187.11369	1.4
195.13939	4.0
201.12868	54.1
202.13205	4.8
203.10814	2.0
211.11301	1.4
211.13374	1.4
217.00316	16.0
229.12349	57.3
230.12657	5.7
231.66985	1.2
255.03032	25.8
255.10248	2.0
256.03409	1.5
283.02551	7.6
284.03265	5.4
381.09592	15.7
381.13504	46.7
382.10205	1.9
382.14032	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	381.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71397	1.2
59.01377	2.6
61.98834	1.5
70.54536	1.2
71.54162	1.7
74.99083	25.2
75.96252	2.1
81.78550	1.2
82.48809	1.3
91.02228	40.4
93.00150	10.7
103.46954	1.1
141.03313	1.4
143.05315	1.8
159.08492	100.0
160.08763	6.3
161.06435	10.3
233.01349	1.3
290.22516	1.6
299.25876	3.7
365.10928	3.0
368.98813	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.7
69.65061	2.3
69.65479	2.2
78.95927	1.2
98.19932	1.4
101.96243	0.7
119.05038	100.0
120.05399	6.1
132.05847	6.8
157.06613	3.0
159.08177	8.1
160.08551	1.0
164.04877	4.1
175.07652	0.9
187.11304	24.3
188.11670	0.9
203.07162	30.7
204.07451	2.5
217.00298	2.5
221.08186	14.5
222.08551	1.8
249.40428	0.8
299.16321	3.4
323.12903	94.9
324.13272	13.6
368.38580	1.0
381.17105	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	381.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14286	8.6
53.55984	8.0
55.59182	8.5
56.93531	7.4
59.01390	100.0
63.38202	8.8
67.16465	8.0
70.99874	9.4
71.01385	38.7
71.54537	9.8
73.02955	13.5
75.00891	8.5
84.05688	8.2
85.02949	24.7
89.02454	37.3
90.02792	8.6
99.00848	14.6
101.02451	26.1
113.02452	15.4
125.96001	9.5
133.02950	13.3
149.04523	11.6
153.97003	8.5
176.08461	9.6
177.01938	86.9
180.96655	9.5
201.01920	24.0
230.75227	10.8
237.19397	8.3
241.79655	11.4
261.04138	8.2
317.64667	8.2
371.66653	9.6
381.17093	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04523	1.8
59.01382	12.3
70.55133	3.2
70.55480	2.1
78.95943	2.5
85.02966	3.8
98.20576	1.7
103.98029	1.5
104.48493	1.9
113.02485	3.4
125.02422	1.4
151.00377	3.8
158.92188	1.4
174.99261	2.4
217.00334	9.1
219.02188	2.5
255.03075	3.3
256.03818	24.6
257.04050	2.9
284.03290	100.0
285.03607	7.6
299.05630	96.4
300.06107	11.5
324.01279	2.1
381.05164	2.0
381.09726	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	381.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76359	0.6
59.01377	2.5
61.87677	0.6
62.00317	0.7
70.98396	0.6
71.54079	0.8
78.95911	3.7
91.01906	28.3
92.02225	1.6
96.96973	1.9
103.27451	0.7
106.77754	0.6
116.52165	0.6
121.03029	0.6
132.05830	21.8
135.00903	45.0
136.01201	2.4
148.80205	0.6
149.02420	1.2
153.01961	21.4
164.04810	14.5
165.05252	1.2
187.11308	78.6
188.11642	6.4
209.33746	0.6
213.09427	0.6
217.00375	2.3
254.47223	0.7
282.29117	0.7
323.12915	100.0
324.13260	14.1
341.31625	0.7
363.12146	1.6
381.07816	1.8
381.12985	1.0
381.17178	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1564
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
55.01874	0.7
58.00601	0.6
58.05254	0.5
59.01390	19.1
60.01700	0.9
65.82561	0.5
70.28473	1.1
70.28796	0.8
71.01390	36.4
71.05022	6.5
72.01704	0.8
72.99289	0.9
73.02967	1.8
75.00867	0.9
83.01394	1.3
85.02962	4.4
88.04062	5.6
89.02460	9.2
95.01398	1.1
99.00900	0.7
99.04523	2.3
101.02461	9.6
102.02809	0.8
113.02468	4.9
116.03532	0.9
116.07182	1.6
119.03538	2.9
126.09308	0.8
128.07172	2.3
129.05586	1.2
143.63538	0.6
146.08250	58.2
147.08585	2.7
161.04585	1.6
200.09309	0.9
218.10396	1.1
250.46072	0.5
263.11487	1.0
308.13562	7.4
310.09967	0.6
362.14600	2.3
380.15680	100.0
381.15988	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	379.1977
Annotation	JBIR-57
Peak:m/z	Relative Intensity
55.01877	1.5
57.03448	1.3
58.00584	1.0
58.07739	0.5
58.21408	0.5
59.01385	25.3
60.01723	0.6
70.41793	1.8
71.01392	17.1
71.61059	0.6
72.99310	1.8
73.02951	5.1
74.23389	0.4
75.00874	2.1
76.02586	0.4
83.01388	4.1
85.02959	8.4
85.06606	1.5
87.00886	1.4
89.02459	8.5
93.96722	0.5
95.01402	1.7
95.56953	0.6
99.00903	1.6
101.02454	11.0
107.05006	0.7
111.00964	0.6
113.02471	6.3
119.03496	1.6
125.02444	0.9
129.01936	0.6
135.04546	1.4
137.09714	0.6
143.55966	0.6
155.10789	0.6
161.02393	0.9
161.04561	0.7
171.13927	1.0
179.03523	3.1
181.12331	1.1
191.01939	0.6
199.09740	1.4
199.13423	6.7
199.64348	0.6
200.13803	0.6
217.11038	0.8
217.14456	9.4
218.14767	0.8
221.82591	0.5
231.06650	0.7
249.06238	0.6
254.14476	0.5
277.10245	0.6
291.82272	0.5
294.09009	0.6
297.57819	1.2
335.11377	0.7
361.10437	2.1
361.18732	11.7
362.18967	1.9
379.19742	100.0
379.68213	0.7
380.20090	12.9
383.43942	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55820	0.6
55.01875	1.3
57.03438	2.4
58.00594	1.1
59.01387	53.2
71.01389	19.8
71.54896	0.9
72.99306	2.3
73.02956	3.2
75.00874	1.3
77.98856	0.6
80.05112	0.6
83.01392	2.5
85.02964	10.6
85.06599	1.7
87.00878	1.3
89.02458	11.6
95.01405	1.2
99.00880	2.4
101.02457	12.8
113.02477	5.6
119.03526	4.1
119.42002	0.7
129.01961	0.6
135.04492	1.1
161.04538	1.0
171.10246	0.6
171.13936	0.8
173.04521	1.3
179.03528	0.9
181.12398	3.9
199.13416	6.1
216.07899	1.8
217.14503	7.8
218.14787	0.7
233.06743	3.5
247.15627	1.0
253.63460	0.7
259.15851	0.7
319.17606	0.8
328.14365	0.6
361.18713	16.0
362.19009	2.6
379.19742	100.0
380.20145	11.9
403.06094	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1615
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01874	2.5
57.03448	1.8
58.00607	3.0
59.01388	93.0
60.01721	2.4
63.61565	1.1
69.03436	1.2
70.59485	1.1
70.84743	3.2
71.01392	66.9
72.53260	1.3
72.99307	4.1
73.02951	17.0
75.00893	1.2
83.01405	3.5
85.02966	13.9
87.00895	2.5
89.02458	100.0
90.02777	2.0
95.01408	2.8
99.00891	14.2
101.02459	41.8
113.02472	21.0
119.03521	17.3
125.02466	5.4
131.03516	14.4
143.03523	4.9
149.04575	38.3
161.04591	9.1
179.05658	10.0
191.05627	8.9
221.06665	1.3
246.56050	1.4
247.11868	8.8
251.07750	1.6
269.39725	1.4
379.16107	32.4
379.23517	2.0
380.16525	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	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.3
59.01110	1.1
59.01386	13.5
60.23563	0.8
71.01392	5.7
71.54779	1.2
72.99299	1.0
73.02959	2.5
75.00880	3.1
82.02985	2.1
83.01379	1.9
85.02968	5.7
87.00905	1.1
89.02446	2.2
89.40102	0.8
93.96664	0.8
95.44698	0.7
97.02948	1.1
101.02484	2.0
113.02467	1.7
125.02499	1.0
125.09709	1.1
127.11308	1.7
135.04556	4.2
136.01627	1.1
136.04074	1.9
137.02391	0.9
137.09724	2.1
146.06114	1.0
149.04523	1.9
150.03221	0.8
151.03983	1.3
152.03542	0.9
153.09259	1.1
155.09602	1.4
155.10805	23.3
156.11089	2.1
157.08759	1.0
161.02446	1.2
161.04535	0.9
164.07301	0.9
165.05498	1.2
171.10286	22.1
172.10701	1.1
179.03532	2.0
187.91626	0.8
191.01990	1.6
199.09846	4.7
201.06633	1.0
206.99945	0.8
213.11281	1.6
216.31708	0.8
217.10831	100.0
217.14340	3.0
218.11159	6.7
229.06192	1.0
243.07689	1.7
254.14317	1.0
259.11844	3.6
269.05817	0.9
269.63623	0.9
270.06473	3.9
271.06940	1.3
285.08817	22.5
286.09149	2.7
287.06821	3.0
317.11423	7.8
319.14084	1.7
341.11041	1.5
379.11203	1.3
379.15439	7.3
379.23633	4.2
395.68494	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31510	13.6
58.31834	15.0
59.01384	34.1
61.98849	18.2
69.59076	100.0
73.14706	14.7
98.20641	29.3
101.44241	17.7
109.57935	14.7
114.95592	15.0
142.21831	16.4
271.32251	18.2
295.22797	58.8
359.15411	36.6
377.23373	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	379.0133
Annotation	Hispidulin 7-sulfate
Peak:m/z	Relative Intensity
50.41192	0.3
55.53993	0.3
55.85815	0.3
58.26080	0.4
63.48806	0.3
68.74368	0.3
70.84808	1.0
77.03446	0.4
79.08208	0.3
89.95089	0.3
107.71912	0.3
108.09112	0.3
111.33139	0.3
135.00899	0.6
148.01680	1.9
154.99667	0.3
183.33723	0.4
199.04048	0.5
200.04742	0.7
211.04028	1.0
212.04773	1.4
227.03543	3.1
228.04305	0.7
239.03551	1.0
240.04169	1.1
255.02986	3.0
256.03717	2.3
267.02924	0.5
283.02512	3.2
284.03287	68.3
285.03647	6.6
299.05637	100.0
300.06009	11.1
300.09494	0.5
379.01315	10.0
380.01752	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05211	8.0
55.25161	9.0
59.01377	32.4
60.59010	8.3
61.98827	18.7
69.20784	85.6
70.04776	8.6
85.47092	8.1
89.02470	9.7
96.96024	47.9
98.20689	19.0
171.10301	16.6
187.11275	36.5
189.99077	100.0
219.97749	11.3
282.01614	24.6
341.10916	15.2
341.23273	90.2
349.10770	23.6
377.10281	39.7
377.19846	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	377.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90016	12.8
58.32458	10.9
59.01364	13.7
61.05240	11.7
64.00473	10.1
64.70760	11.7
69.59647	59.5
72.72279	12.1
98.20634	19.7
111.58753	11.6
122.03750	18.0
142.20988	13.1
159.89729	13.3
170.67857	14.0
341.24823	100.0
342.25143	24.2
404.66995	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	377.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.6
66.32764	0.2
66.65961	0.2
69.55408	1.8
75.21030	0.3
134.03752	1.2
135.04541	100.0
136.04868	5.5
138.48245	0.3
147.47568	0.3
151.03990	1.3
164.61792	0.2
165.15808	0.2
179.03517	6.8
180.03835	0.4
191.25571	0.3
215.71959	0.3
238.66823	0.3
297.09824	5.6
298.10172	0.9
341.08789	15.8
342.05487	0.3
342.09189	1.4
377.06409	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.14
Annotation	Merguenone
Peak:m/z	Relative Intensity
53.20539	1.0
58.44842	1.0
59.01382	1.7
71.08880	2.2
119.05044	42.9
120.05372	2.4
124.05468	1.1
125.83578	0.9
136.49460	1.1
145.02997	2.3
161.02434	1.8
163.00403	1.2
171.08223	1.9
173.02493	1.6
183.04520	1.4
185.06136	1.1
189.02060	1.6
199.04042	6.6
199.07695	5.5
200.08427	1.0
201.01932	1.2
213.05612	2.2
215.03354	1.2
215.07199	1.4
216.07910	1.5
217.08635	1.3
220.00099	1.5
227.03459	2.1
227.07149	1.2
230.05923	1.3
241.05002	5.0
242.05862	5.7
243.06595	6.4
255.06606	2.0
256.07388	3.7
261.07733	1.3
265.04916	2.0
277.04993	1.5
288.06470	7.2
294.05270	1.4
307.06152	3.1
319.06003	7.7
335.13065	2.6
362.11627	4.1
377.13962	100.0
378.14328	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	39.9
69.33173	11.5
74.66608	1.6
82.96130	1.6
88.63257	1.5
90.45504	1.4
95.05040	40.6
96.05373	2.1
98.20663	2.7
99.92626	1.4
112.29920	1.7
116.07180	3.7
144.84874	1.4
151.00409	2.7
174.99255	3.1
179.14397	2.0
195.13901	11.0
217.00314	15.3
221.15363	1.6
223.13429	6.5
246.12393	14.3
256.13141	3.5
275.20081	5.1
278.11368	87.4
279.11655	6.0
293.21243	100.0
294.21500	12.5
315.19412	20.5
316.19733	2.4
338.12228	10.9
339.12549	2.7
375.12064	1.6
375.21307	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	376.0311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
59.42978	15.2
61.98824	76.1
71.01362	26.2
71.09533	36.8
88.39438	18.0
89.22670	16.6
101.02446	17.8
106.31364	17.8
111.15584	17.5
119.81879	17.8
151.00366	51.7
170.42345	17.8
218.00481	22.4
226.03229	19.9
266.55383	19.6
297.04022	38.9
353.69525	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	376.104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86516	1.1
57.03451	2.9
59.01387	18.2
60.10976	1.0
65.00328	7.9
68.99825	3.2
69.33936	6.7
71.01387	8.7
72.99324	8.7
73.02956	2.1
73.35205	1.0
75.00874	5.0
81.13929	1.3
83.01126	1.1
85.02959	20.4
87.00882	2.1
89.02464	6.7
93.03435	1.1
96.96037	1.8
96.99314	1.6
97.02950	5.0
98.19907	2.1
99.00900	7.5
99.04530	4.9
101.02450	4.1
109.02969	10.4
110.00110	12.8
111.00913	9.9
113.02483	1.6
113.62341	1.0
115.00324	1.1
115.92109	1.6
118.75039	1.0
119.03478	2.7
119.05070	4.0
122.60414	1.1
132.02184	1.5
133.01485	1.1
133.02977	3.2
135.00871	2.5
135.04544	71.8
136.97852	1.3
136.98831	19.3
137.02454	2.8
139.00278	1.2
140.01172	16.2
141.00676	1.6
141.01715	14.2
141.05547	1.3
147.02989	1.7
151.03961	1.2
153.09283	1.4
154.99704	2.4
159.06825	1.0
161.02472	1.6
163.03981	3.0
168.00661	36.5
169.01433	13.9
172.00160	31.9
173.00485	1.3
174.09274	2.0
176.01146	1.2
176.07129	1.3
177.01859	1.8
179.03497	5.3
189.05673	1.5
191.01961	6.9
197.08154	1.5
198.09315	1.9
200.07184	1.4
202.08786	1.4
213.00192	6.6
214.08725	1.5
218.08257	1.9
227.05937	1.9
231.01253	24.3
242.08282	2.6
245.33403	1.1
272.09354	2.0
297.09848	4.3
339.07190	1.7
340.07446	1.8
341.08401	10.8
344.07764	25.8
345.08075	3.6
376.10379	100.0
377.10516	9.7
377.14999	7.4
385.06424	1.2
385.59637	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1974
Annotation	Ovaliflavanone A
Peak:m/z	Relative Intensity
66.14811	1.1
69.43575	7.7
76.86868	1.2
85.66668	1.3
101.10452	1.1
119.05034	1.5
127.37431	1.3
136.01654	2.6
145.02975	1.9
148.69070	1.2
159.04494	7.8
161.02409	1.5
163.94250	1.4
173.06071	2.4
174.06798	2.2
175.04050	1.6
185.06091	1.9
187.04027	8.1
188.04851	1.2
190.06421	4.0
201.05640	3.7
202.06320	3.5
209.61905	1.2
221.97343	1.3
251.07140	10.5
263.07217	3.3
291.10300	1.5
305.11856	1.7
333.18149	1.6
375.19678	100.0
376.20068	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	375.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
57.03455	0.9
58.00591	1.8
59.01387	48.0
60.01719	0.8
67.46213	0.4
69.55756	3.0
71.01390	26.3
72.99299	2.1
73.02950	1.5
75.00863	0.9
83.01385	2.7
85.02961	5.6
86.11075	0.4
87.00879	1.0
88.98819	0.4
89.02454	22.0
95.01399	1.9
99.00907	0.5
99.76073	0.4
101.02452	13.9
113.02451	8.5
114.02841	0.5
117.30755	0.4
119.03515	6.9
124.40337	0.5
124.83622	0.4
143.03525	0.7
147.03020	0.4
152.92763	0.4
165.04071	0.8
165.12842	1.4
172.16470	0.4
183.13904	3.8
195.13919	10.1
196.14227	1.1
208.25551	0.4
213.14969	4.7
216.96039	0.4
217.00391	0.7
226.82483	0.4
227.12987	3.4
357.19162	0.8
375.20258	100.0
376.20654	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	375.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35247	0.6
56.76986	0.6
59.01385	12.0
60.58313	0.7
69.71722	0.6
71.01392	11.0
78.02972	0.7
93.35548	0.8
98.19894	1.9
127.07711	1.6
139.20604	0.8
164.08467	1.1
174.99255	3.7
177.03239	0.8
177.09256	4.3
190.10052	3.1
192.11600	8.6
193.12102	1.5
205.12360	3.9
207.13902	1.0
217.00336	11.3
218.00571	1.1
218.09482	2.0
220.14697	41.4
221.15471	100.0
222.15805	9.7
235.13365	0.9
236.10550	91.5
237.10941	8.6
283.04190	2.6
293.17606	38.8
294.17905	4.1
318.09555	4.7
321.15540	2.0
335.13199	1.2
348.59930	0.9
358.08786	1.2
375.17938	7.5
376.18054	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18496	0.6
60.17744	0.7
68.34946	0.7
69.62943	3.4
74.99089	3.4
75.73427	0.7
77.03541	0.7
93.00115	0.8
98.20641	1.3
142.59648	0.6
143.05365	1.0
155.11765	0.6
159.08487	11.0
161.06410	2.4
201.74863	0.6
209.01350	2.1
217.07274	1.6
255.42661	0.6
261.04398	0.8
275.05975	1.5
277.07516	3.0
289.07455	1.5
291.09131	92.5
292.09259	14.5
296.08109	0.8
303.08661	0.8
357.13696	1.5
358.13831	0.8
359.15375	100.0
360.15485	19.1
375.18484	6.4
376.18634	1.1
377.16302	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
63.72886	0.6
69.29126	7.0
74.99096	2.4
79.09808	0.7
98.20667	1.7
143.05429	1.1
159.08501	10.0
160.08780	1.0
161.06436	2.9
209.01239	1.9
217.07205	1.1
233.14104	0.7
275.06161	1.4
277.07547	2.0
289.07632	2.8
291.09137	100.0
292.09238	14.5
316.13394	0.8
357.13800	1.7
359.15381	99.5
360.15543	17.9
375.18469	5.6
376.18750	1.1
398.88528	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09517	0.9
58.30855	0.9
59.01385	100.0
60.01722	1.9
60.71375	1.0
69.21813	0.9
70.81792	2.6
75.06499	1.0
83.13660	1.1
98.88422	0.9
104.02133	1.2
115.07666	16.8
118.31203	1.1
134.09747	1.0
168.10091	0.9
170.02281	1.4
170.03712	1.0
174.99193	5.3
180.06653	1.8
207.10353	2.3
208.10707	2.6
217.00307	21.3
231.36914	0.9
236.10509	1.3
314.14682	1.3
314.27014	1.3
374.99258	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47629	1.3
59.01388	100.0
69.51260	5.4
69.51669	3.4
83.42019	1.1
174.99234	3.8
217.00336	18.1
253.21875	1.6
374.24615	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	374.9929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77036	3.3
52.15165	3.4
59.01384	100.0
61.98824	10.2
69.78510	5.7
69.78922	11.1
82.15166	3.4
84.97526	3.6
98.20571	4.9
138.22269	3.2
145.85178	3.3
149.14198	3.1
156.99934	8.5
163.23022	3.4
171.97443	7.6
174.99257	20.8
198.40738	3.2
201.02615	28.6
217.00339	75.6
218.00713	3.8
232.86057	10.9
248.28668	3.5
314.98859	7.6
324.66492	3.6
374.98889	3.9
385.14893	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	375.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	6.0
59.01393	38.1
60.99307	14.0
64.63381	4.7
66.92274	4.7
68.52989	4.6
71.01395	9.2
71.54926	9.2
73.02979	6.7
83.01360	5.5
85.02973	7.6
88.98809	100.0
133.02965	13.5
151.00375	5.3
180.96278	4.8
221.19226	6.7
222.92638	27.4
227.12997	5.5
242.19678	5.4
255.03247	5.1
262.80875	5.6
265.18198	5.7
273.14935	5.1
283.19199	9.7
285.04013	82.3
286.04614	8.0
301.20181	18.1
374.26212	7.2
374.93713	29.2
375.20120	15.9
375.27533	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.50192	1.5
69.27858	7.0
69.28291	7.0
73.54826	1.6
74.99109	1.9
93.01608	1.5
122.03742	1.8
135.04437	1.9
161.63643	1.6
208.97644	8.9
209.97720	2.1
225.00711	9.4
243.01764	1.8
263.16534	1.6
284.22165	1.9
287.83090	1.5
313.23837	2.4
329.21271	3.7
355.22873	2.9
357.01413	12.8
358.01373	4.4
358.99268	2.3
373.04688	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	373.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62693	0.7
54.34481	0.7
59.01387	100.0
59.08471	0.7
60.01717	1.4
91.32749	0.6
96.65220	0.6
98.20691	1.3
119.05091	0.7
130.93329	0.8
244.40038	0.7
289.96323	0.7
299.78644	0.8
311.39505	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1975
Annotation	DHEA-7-CMO
Peak:m/z	Relative Intensity
52.57447	1.0
58.02979	5.2
59.01380	12.3
63.96253	1.5
70.64719	2.6
72.00921	10.1
79.95743	5.4
91.05554	8.0
91.12180	1.0
96.80817	1.0
112.78632	1.0
116.05060	1.6
117.65417	1.0
118.06626	5.2
119.05037	1.2
127.61750	0.9
135.04515	2.0
141.37424	1.2
147.04541	48.0
148.04848	2.9
152.92093	0.9
164.07182	91.1
165.07539	5.0
165.12830	2.0
174.99272	4.2
182.15494	4.0
191.07344	1.2
194.13901	1.0
194.15500	4.1
212.51776	0.9
217.00308	14.6
220.13483	2.5
235.76628	1.1
241.27708	1.0
268.20703	11.1
269.21222	2.0
286.21967	1.9
294.18634	1.3
312.19717	38.4
313.20068	6.6
320.26154	1.3
330.20795	10.8
356.18719	28.3
357.19019	4.5
374.19748	100.0
375.20053	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	374.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14587	0.2
59.01387	5.8
82.44015	0.3
82.84892	0.3
82.89375	0.3
86.21519	0.2
98.19880	0.6
101.06084	1.0
124.07697	0.7
128.57675	0.3
174.99248	1.0
189.10355	0.7
210.35182	0.3
217.00337	4.8
232.10956	9.2
233.11255	0.9
260.10522	0.4
263.07037	0.3
272.17719	0.3
275.66580	0.3
289.18048	1.4
290.18790	3.2
316.16736	2.1
318.18359	0.5
358.21341	0.7
374.24509	100.0
375.24829	13.7
375.29800	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1872
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
53.40152	0.4
55.01880	1.5
57.03451	1.4
58.00592	3.7
59.01387	100.0
60.01711	1.2
69.43478	0.5
69.85448	2.1
71.01392	50.3
72.01724	0.6
72.99311	4.4
73.02946	2.2
73.40562	0.4
78.91819	0.4
83.01409	2.6
84.02203	0.4
84.92927	0.4
85.02961	10.9
87.00892	1.8
89.02456	60.1
90.02799	1.3
95.01405	4.1
95.49100	0.4
99.00906	0.7
101.02454	38.4
102.02799	1.1
113.02464	19.8
114.02811	0.6
119.03518	29.1
120.03841	0.7
125.02432	0.6
131.03500	2.3
143.03540	3.0
149.04581	2.0
153.34283	0.4
161.04575	3.0
179.05646	3.8
193.12323	6.5
211.13417	0.8
247.76303	0.4
267.07111	0.5
287.70956	0.4
313.10992	0.6
358.75079	0.6
373.18698	29.6
374.19046	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	373.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.0
59.01385	2.9
65.00311	0.5
70.39590	0.5
70.39923	0.4
71.01392	0.8
81.03458	4.2
83.01384	3.0
85.02968	2.0
89.02451	0.6
93.03452	0.4
95.01422	0.3
95.05014	0.5
102.05641	0.4
107.01406	0.8
107.05051	0.4
112.15603	0.3
113.02457	0.6
119.05093	0.3
123.04541	26.2
124.04857	1.3
125.02461	17.1
126.02847	0.7
135.04507	0.9
135.15643	0.3
137.02400	0.4
139.04059	0.6
147.02950	0.4
148.18304	0.3
149.02484	2.4
149.06061	1.6
151.00366	2.1
151.04021	0.9
152.84679	0.3
161.11525	0.3
163.04010	0.5
167.03511	100.0
168.03853	5.1
179.03516	1.2
191.03529	0.9
193.05096	9.0
209.04614	0.6
211.04050	0.4
211.06114	12.0
212.06493	1.0
225.11365	0.8
226.00412	0.3
271.01724	0.3
285.11630	0.6
329.08786	2.1
373.11115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58291	1.3
57.03447	2.9
57.12438	1.6
58.29187	1.6
59.01392	17.5
61.98832	7.6
68.99840	2.1
70.85529	3.3
70.85890	1.5
71.01388	18.0
73.02958	1.4
75.00877	3.4
79.76879	1.3
83.01403	7.7
83.91486	1.4
85.02972	16.1
86.03301	2.1
87.00881	9.9
89.02465	8.0
90.76180	1.5
91.46686	1.3
95.01428	2.2
97.02983	2.5
98.94086	1.5
99.00890	15.0
101.02460	7.5
105.03477	2.7
107.05051	1.9
109.02981	15.8
110.88110	1.5
113.02454	4.9
115.00391	20.3
119.03523	3.4
121.06635	2.2
125.02470	4.4
133.02983	6.8
134.03702	1.9
135.04527	11.8
137.02502	1.7
139.00429	2.2
139.04071	1.9
144.93604	1.4
145.02966	1.8
147.04553	8.5
148.05272	3.1
149.02512	1.9
149.06096	100.0
150.06448	4.6
151.03958	3.4
153.01974	2.2
153.05595	3.1
157.01414	1.7
159.03079	1.9
159.04498	4.1
160.04109	1.7
161.02480	29.8
161.04616	5.3
161.06061	3.9
162.02815	3.5
163.04036	5.6
165.01959	2.9
165.05586	6.5
167.03525	3.5
174.03226	1.6
175.02495	14.1
175.04025	16.6
177.01953	25.6
177.05547	1.7
178.02466	2.9
179.03513	5.9
181.05101	31.9
182.05420	1.7
187.04007	2.0
189.05580	5.9
191.02010	2.2
191.03548	3.9
193.05096	20.1
196.07442	23.1
205.05103	3.1
206.02229	5.3
211.03473	3.2
211.06273	3.4
211.09760	31.7
212.10182	2.2
219.02997	32.5
220.03381	2.6
233.04573	25.0
234.04936	3.4
237.01778	3.3
237.04071	48.0
238.04491	2.5
245.52670	1.5
249.07857	1.7
275.05646	3.8
277.03580	37.0
278.03882	2.9
293.06717	15.3
305.36197	1.6
319.04526	8.3
337.05685	93.2
338.06030	8.6
373.03275	13.9
373.14590	5.1
374.03616	1.6
386.54962	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86363	0.7
54.78175	0.7
57.03449	1.1
59.01385	5.7
66.64770	0.8
69.29251	1.6
69.29666	4.3
71.01377	2.2
72.99290	0.8
83.01363	1.1
85.02959	7.0
86.97557	0.7
101.02444	1.0
103.27303	0.7
108.02142	0.9
108.04321	0.7
109.02968	1.0
110.00095	7.9
111.00888	1.1
113.02460	2.7
115.04043	1.1
116.07712	0.8
123.00869	0.7
124.01624	0.8
125.02464	7.2
134.93484	0.8
137.02470	1.9
137.99588	9.5
138.98241	0.7
139.00403	5.0
151.00337	0.9
151.03995	2.0
152.01172	1.6
153.01955	100.0
154.01230	0.6
154.02719	9.2
155.03435	1.9
166.02757	2.0
167.03500	9.2
168.04298	46.8
169.05074	19.6
175.06116	2.9
177.02003	0.8
179.03560	1.4
181.05043	0.7
193.05084	1.2
196.03670	1.0
209.04604	1.8
211.03525	1.2
211.06195	1.5
213.98039	0.7
249.84718	0.7
253.07285	1.1
282.15704	0.8
305.06784	1.1
373.11438	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.6
59.01134	1.6
59.01387	11.9
68.15911	1.3
70.08508	4.2
71.01394	6.6
73.02957	5.2
73.95512	1.1
75.00882	2.4
77.91727	1.1
79.78284	1.2
83.01394	2.7
84.91970	1.2
85.02980	4.8
101.02441	1.9
101.16048	1.4
109.47703	1.2
113.02420	1.4
121.02943	1.4
125.38953	1.2
136.05383	1.5
159.04565	2.1
165.98193	1.4
167.10800	100.0
168.11124	6.2
175.07658	1.6
181.12326	1.5
186.03241	4.3
188.04758	1.5
191.10817	2.7
193.08737	2.8
201.05524	2.3
201.25063	1.4
207.45901	1.3
207.53311	1.2
209.03041	3.5
209.11864	2.0
221.11885	2.6
239.12971	2.7
327.12378	4.9
353.10425	1.9
371.10864	2.6
371.24231	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	371.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	7.7
57.03458	11.7
58.00596	1.3
59.01386	37.3
68.61040	0.9
69.03466	2.2
71.01389	100.0
71.31590	1.0
71.46561	0.9
72.01722	2.7
72.99303	3.2
73.02955	34.9
75.00868	1.3
81.03484	1.3
83.01393	20.8
84.02151	1.3
85.02960	62.2
86.03297	2.2
87.00881	4.7
89.02460	7.1
95.01400	7.1
95.05020	1.0
97.02960	2.8
99.00892	15.1
101.02454	72.6
102.02827	1.6
109.02993	1.0
113.02464	42.2
113.03278	2.0
114.02785	1.2
119.05062	5.4
121.02927	1.3
125.02459	4.7
129.01921	3.0
135.04553	6.8
137.02547	1.2
139.04031	1.1
143.03505	4.2
147.02998	1.4
151.00432	1.1
159.02989	11.1
161.04573	60.0
162.04884	2.1
162.56419	0.9
165.09389	1.0
165.12810	1.9
171.10300	1.1
186.03200	1.7
191.01956	3.3
195.06419	1.4
201.05550	2.1
205.03520	2.2
207.10309	8.1
209.03047	20.1
209.08215	4.1
209.11768	1.2
209.15445	3.7
210.03365	1.1
259.06070	2.8
313.14508	2.3
371.04059	1.1
371.11349	14.2
371.20642	12.4
371.24527	10.3
372.20853	2.3
372.24924	1.6
372.35846	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.3171
Annotation	CHEBI:79298
Peak:m/z	Relative Intensity
57.03467	2.5
59.01379	5.3
71.05010	1.3
71.53915	1.5
74.62496	1.2
77.98856	1.2
83.01389	2.3
83.05054	1.7
85.02956	4.0
97.51841	1.4
104.55511	1.3
160.81136	1.3
209.02908	1.3
209.47743	1.4
261.72717	1.3
267.27020	14.9
268.27338	1.6
295.30243	6.3
305.28467	1.7
307.30127	7.1
323.29550	3.9
325.31171	11.2
371.31665	100.0
372.31995	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	371.1502
Annotation	Tetrahydrocurcumin
Peak:m/z	Relative Intensity
57.03453	0.9
59.01381	1.8
64.65299	0.5
65.00334	6.0
68.99790	0.6
69.03460	0.6
69.37202	4.5
71.01376	0.9
83.01405	2.6
85.02959	3.0
89.02496	0.6
93.03459	1.0
95.01402	1.0
96.71310	0.6
102.18820	0.5
108.02165	1.1
113.02445	0.8
119.05029	6.3
121.02933	0.8
127.07681	2.2
132.05846	0.7
133.02960	0.8
133.06602	0.8
135.04556	0.9
137.02521	0.9
148.05336	1.6
151.00374	1.3
151.06473	0.8
151.07655	7.7
159.04517	1.7
163.00375	2.6
163.04031	2.5
169.08711	2.6
175.07643	1.6
177.01906	3.8
177.09224	1.4
181.05067	0.8
181.06581	0.7
183.04521	1.1
184.05286	1.9
185.02461	0.7
186.03264	5.3
187.03879	0.9
191.03490	1.9
193.08749	3.4
197.06125	1.0
198.06772	0.8
199.07565	1.1
201.05573	4.2
202.06096	0.7
207.10303	1.4
209.03030	3.1
211.07648	1.1
212.08444	0.8
217.08742	1.3
219.10327	0.8
225.05589	1.9
225.09242	0.7
226.06325	1.7
234.08704	0.8
235.09760	1.1
237.07729	15.7
238.08075	1.7
239.07111	1.8
241.08751	0.7
250.08533	1.2
253.08751	1.1
254.09535	1.2
269.04498	1.3
269.11847	3.6
270.05359	0.8
270.12180	0.7
282.07608	2.9
283.06137	2.0
285.07623	0.7
297.07681	2.8
303.16135	0.6
311.12915	0.7
312.13699	4.6
313.14359	1.5
327.16043	1.0
329.14236	0.8
339.11743	0.7
356.12628	2.7
371.15021	100.0
372.10898	1.3
372.15335	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	371.1503
Annotation	Kadsurin A
Peak:m/z	Relative Intensity
59.01384	4.8
61.24332	0.8
71.01414	1.7
83.01390	3.8
84.59042	0.8
85.02959	7.1
98.19865	1.6
100.67293	0.8
105.03470	6.6
108.07935	0.8
109.02944	1.6
117.03481	3.0
119.05038	13.4
121.02972	2.7
122.03751	3.4
123.00846	2.0
134.03761	1.1
135.04454	1.1
136.01689	1.3
137.02463	4.4
138.03217	2.9
139.04004	1.1
149.02466	6.3
156.00668	0.9
157.06633	1.0
161.02502	6.3
162.03235	11.3
163.03694	0.8
167.03581	2.1
170.02234	11.5
171.02429	0.8
174.03188	4.9
190.60458	0.8
191.02081	1.6
194.02202	17.8
201.05606	1.2
206.02203	6.6
207.10283	69.3
208.10600	5.6
209.03041	8.9
241.08705	2.4
256.54468	0.8
267.06619	3.5
268.07401	7.6
279.06735	2.1
280.07339	4.5
283.09790	20.7
284.10168	2.4
295.09781	43.4
296.10077	3.7
297.07632	1.2
313.14499	25.3
314.14737	3.4
335.12823	5.3
353.13699	2.5
371.10587	9.4
371.14969	100.0
372.10663	2.0
372.15256	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	371.1352
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
55.01882	3.5
57.03455	9.2
58.00597	4.7
59.01389	100.0
60.01714	1.5
68.99808	1.4
69.48993	7.3
71.01391	61.0
72.01714	1.1
72.99319	9.3
73.02954	3.9
75.00879	11.4
83.01402	6.7
84.02191	1.6
85.02965	67.4
85.87607	1.0
86.03310	2.7
87.00889	5.6
89.02459	60.5
90.02767	1.2
91.05572	1.8
95.01395	4.1
97.02998	1.8
98.20767	1.0
99.00893	3.6
101.02460	31.3
101.03124	2.0
103.00418	1.9
107.01362	1.0
111.00903	2.1
113.02476	20.3
115.00375	1.2
117.03445	1.5
119.02680	1.6
119.03519	28.3
121.02979	9.7
125.02475	1.8
129.01967	11.1
129.25171	1.1
131.03517	1.7
132.03043	1.4
133.01448	5.3
134.03778	11.5
135.04518	7.0
143.03532	3.3
146.08243	1.1
147.03017	3.5
149.04605	2.0
149.06163	1.1
150.03317	1.7
151.29813	1.0
157.39755	0.9
159.03041	2.0
161.02434	2.5
161.04616	1.5
163.04132	1.3
164.04897	1.1
165.05621	1.7
166.02739	3.7
167.03497	1.7
168.04160	1.0
169.95341	1.0
177.04059	2.7
179.03528	4.0
179.05632	3.5
191.02043	10.9
191.07281	1.1
193.05095	11.1
195.05130	13.6
209.03050	61.4
209.06548	21.5
210.03339	2.8
216.89355	1.0
238.87985	0.9
244.93678	1.0
249.06229	3.3
341.66306	1.2
371.09793	5.5
371.13562	84.8
372.13864	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	371.1351
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
57.03451	1.0
59.01392	2.5
65.00340	0.8
69.03458	0.3
70.01846	0.5
70.02260	0.8
70.78925	0.2
71.01398	2.1
71.05025	0.3
73.02974	0.4
81.03471	6.6
83.01395	1.5
85.02956	2.3
89.02456	0.6
93.03478	0.3
95.05048	0.6
97.02954	0.6
99.08171	1.9
101.02454	0.9
101.06107	0.8
107.01412	0.7
109.02993	0.5
113.02480	0.6
121.02981	0.4
122.03706	0.3
123.08192	2.6
124.01677	0.3
125.02480	5.6
125.06110	5.9
126.06489	0.3
127.07633	0.4
135.04556	0.6
136.05376	1.2
139.04074	0.3
141.09258	1.0
147.03069	0.4
147.08159	0.8
149.02440	1.0
151.00417	1.4
152.01138	0.7
161.00960	0.6
161.04617	0.6
165.09229	38.1
166.02681	0.4
166.09569	2.6
167.07173	0.3
175.00360	0.5
175.07677	0.3
177.09386	0.3
179.07167	0.7
191.01938	0.2
191.07138	1.4
192.12813	0.3
193.08710	1.0
205.08746	1.4
207.06610	0.4
208.07431	0.4
209.03052	2.5
209.08214	100.0
210.08531	7.5
215.07141	0.9
221.08192	1.1
222.08939	0.3
223.09842	3.4
224.10136	0.3
233.08214	25.9
234.08533	2.3
251.06693	0.5
251.09276	9.7
252.09581	0.9
263.09247	3.1
264.09488	0.3
275.09381	0.4
293.10370	0.3
311.11301	0.6
353.12457	0.3
371.13797	6.9
371.24255	0.5
372.13760	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.135
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
50.92644	0.2
51.95039	0.2
57.03444	0.9
57.14927	0.2
59.01383	0.7
61.93915	0.2
65.00318	0.9
66.65750	0.2
69.58156	1.3
81.03463	6.4
83.01376	1.1
99.08168	1.4
101.06113	0.8
107.01393	1.0
117.74335	0.2
121.06615	0.3
123.08183	4.0
125.02464	5.6
125.06094	7.9
126.06415	0.3
136.05304	1.0
137.06055	0.2
141.09242	0.9
147.08170	1.8
148.08405	0.3
149.02486	0.6
149.06105	0.3
150.06845	0.3
151.00410	1.5
152.01195	0.4
165.09221	29.7
166.09575	2.2
191.07169	2.1
205.08681	0.3
209.08211	100.0
209.92105	0.2
210.08548	7.3
233.08348	0.6
251.09348	1.0
260.12900	0.2
262.35886	0.2
371.13538	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
57.03444	3.9
59.01388	100.0
60.01719	2.3
64.74062	1.0
65.19392	1.0
65.41618	1.0
69.57926	5.1
71.01392	8.1
72.99315	1.1
73.02944	1.6
75.00884	3.2
83.01398	2.2
85.02962	31.8
86.03313	1.5
87.00887	1.6
88.04036	1.1
89.02458	3.0
90.24722	0.8
98.19853	0.9
104.34430	0.9
104.53256	0.9
113.02448	1.2
114.11536	0.8
115.00384	1.6
121.02963	2.7
128.03531	1.2
129.01953	1.9
130.08746	1.8
131.87117	0.9
132.03023	2.6
133.01416	1.9
134.03752	1.4
135.04555	6.7
142.57466	0.9
147.02998	1.9
150.03191	1.7
160.01741	1.0
161.02423	1.7
165.05574	1.0
179.03487	3.5
180.03865	0.9
191.01984	8.8
193.05046	1.8
209.03035	33.5
210.03430	0.9
214.46407	0.9
228.52814	0.9
239.09290	1.0
278.19492	1.1
278.80533	1.0
371.07059	1.4
372.17575	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	371.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91567	5.4
55.96329	5.5
57.03450	7.8
59.01382	40.3
65.00332	11.4
70.08282	23.9
71.01405	14.5
75.51423	5.3
83.01389	31.9
85.02959	25.6
85.56824	4.8
95.01401	8.1
95.05077	6.6
97.06608	8.9
107.05054	13.5
110.00124	7.3
111.00868	6.5
117.03488	6.7
119.05045	23.2
121.02952	19.4
125.06096	13.5
134.03781	7.2
135.00900	12.1
136.05316	6.6
143.05031	22.2
145.02966	11.0
151.00429	12.8
159.04521	66.5
160.05174	9.6
165.09221	11.4
165.12863	7.3
167.01903	5.2
168.04305	6.3
171.04474	6.5
172.05350	15.0
175.07643	68.6
177.05597	8.8
177.09135	6.7
185.02412	11.4
185.05995	7.5
186.03279	45.5
187.04002	39.4
187.07558	9.8
188.04749	17.9
191.01971	6.2
201.05560	71.2
203.07149	20.8
207.10246	9.6
209.03032	25.3
209.08206	24.8
215.03578	15.1
216.04347	7.2
230.05875	24.8
231.06575	14.7
234.05273	9.8
253.18074	34.3
257.11832	6.4
266.09540	8.7
268.11002	10.1
279.06677	32.8
281.11993	5.8
293.31638	6.1
295.06168	21.8
298.01215	8.7
299.12860	74.3
300.13321	6.4
313.03403	15.5
327.12427	100.0
327.18912	6.5
328.12982	10.3
351.58316	6.4
353.97079	6.2
354.05417	5.8
371.11285	22.3
371.20602	8.2
371.24524	14.2
371.82242	5.6
379.62024	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	371.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90168	0.3
57.03442	0.9
59.01384	3.3
65.00324	1.3
69.03471	0.4
71.01390	2.0
73.02943	0.5
75.00867	0.5
75.37885	0.3
79.98788	0.3
83.01385	0.8
85.02956	4.9
89.02478	1.5
91.01907	32.9
92.02271	1.4
92.78297	0.3
101.02456	0.7
107.01419	0.5
108.02209	0.7
113.02452	0.5
123.39028	0.3
134.03731	0.4
135.00903	35.8
135.04517	0.8
136.01242	1.1
138.38614	0.3
147.03012	0.3
152.01195	0.4
167.03514	100.0
168.03848	5.4
168.05295	0.3
179.03596	0.4
191.02000	1.3
193.05190	0.3
209.03050	5.1
371.09988	1.4
371.17722	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1137
Annotation	3,5,6,7,8-Pentamethoxyflavone
Peak:m/z	Relative Intensity
57.36909	1.0
59.01377	3.8
68.99792	2.3
71.53886	1.3
83.01400	7.7
85.02975	1.4
93.36055	1.1
95.01346	1.6
116.02670	2.5
117.03471	4.2
119.05026	3.0
121.02896	1.5
130.04266	2.3
131.04996	1.3
145.02975	2.8
158.03705	9.1
170.02251	1.6
170.03754	3.8
177.05519	1.5
185.02461	16.7
185.06096	33.5
186.03242	100.0
186.06505	3.9
187.03566	7.4
191.07195	1.3
191.10706	1.7
193.08704	1.7
197.06062	2.0
199.03957	2.0
200.04692	3.8
201.05591	73.4
202.05879	5.8
207.10342	10.0
209.02989	2.0
226.06294	1.5
235.09764	10.8
243.36256	1.2
254.05676	1.6
257.04672	2.0
259.06079	2.8
285.04028	4.5
303.04968	1.3
313.14420	2.3
327.12341	5.8
371.11319	84.2
372.11740	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	371.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.4
57.03450	0.9
59.01389	5.2
59.63217	0.3
69.03464	12.3
71.01384	1.9
71.54802	0.3
72.99345	0.3
73.02950	0.4
75.00889	0.8
79.01898	9.4
80.02261	0.3
81.03469	0.5
83.01402	0.4
85.02959	5.9
86.03267	0.4
89.02467	0.8
91.01927	1.4
93.03503	0.5
95.01414	2.4
97.02962	5.9
101.02442	0.7
107.01405	24.9
108.01688	0.7
113.02448	0.8
115.07654	0.4
119.05060	0.4
119.21017	0.3
121.02985	1.3
123.00918	3.3
125.01540	0.6
125.02464	11.2
126.02811	0.5
129.01947	0.4
133.01414	0.5
133.02969	0.7
135.00906	19.1
135.04529	1.0
136.01579	1.2
137.02498	0.4
145.02969	0.3
147.02966	0.5
149.02444	1.2
151.00389	18.1
151.03963	0.4
152.00806	0.6
153.01981	0.6
161.02435	0.6
162.03362	0.4
163.04031	1.8
165.01932	0.9
166.02736	100.0
167.03511	32.0
168.03972	1.5
177.01932	3.2
179.03517	0.7
184.06174	0.6
191.01949	1.4
191.03511	0.5
193.05055	0.4
203.03595	0.3
207.02800	0.3
209.03023	5.5
209.04651	3.1
221.04631	0.8
311.07794	1.0
329.08878	0.4
339.07562	0.8
363.88217	0.3
371.09879	8.6
371.17188	0.6
372.10059	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06954	0.4
53.95201	0.3
57.03449	0.8
59.01387	5.0
69.03465	11.5
69.62436	2.0
70.03802	0.3
71.01390	2.0
72.44851	0.3
73.02962	0.3
75.00887	0.5
79.01898	9.9
80.02245	0.4
81.03465	0.6
83.01390	0.5
85.02969	5.8
87.00883	0.5
89.02452	0.6
91.01905	1.1
93.03467	0.5
95.01407	1.6
97.02968	7.2
101.02430	0.6
105.03509	0.3
107.01405	24.7
108.02258	0.6
109.03031	0.5
113.02468	0.8
114.02840	0.3
115.07635	0.3
119.03547	0.4
119.05074	0.7
121.02968	1.4
122.03754	0.5
123.00914	3.4
123.04492	0.4
125.02456	11.4
133.01498	0.3
133.03004	0.8
135.00899	19.5
135.04533	0.3
136.01578	1.1
137.02455	0.5
142.77995	0.3
147.03082	0.5
149.02478	1.3
151.00381	17.5
151.29308	0.3
152.00769	0.9
153.01988	0.7
161.02415	0.9
162.03156	0.3
163.04024	1.7
165.01952	0.6
166.02730	100.0
167.03508	34.7
167.04739	0.2
168.03839	1.9
175.44070	0.3
177.01942	3.8
179.03450	0.9
184.06168	0.6
189.02312	0.4
191.01999	1.4
191.03540	0.5
193.04997	0.4
207.02911	0.4
207.10641	0.3
209.03029	6.7
209.04663	2.4
209.08238	0.6
210.05058	0.3
221.04538	0.8
236.72127	0.4
255.18924	0.4
311.07614	1.1
329.09097	0.4
339.07217	1.0
371.09894	8.1
371.17288	1.0
372.10211	1.2
374.84503	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.0
57.03456	8.7
58.82360	0.8
59.01387	12.0
63.10826	0.8
63.41323	0.8
70.46135	1.1
70.46487	2.8
71.01392	14.8
72.99291	2.0
75.00885	2.8
83.01397	1.3
84.02178	1.6
85.02962	71.4
86.03311	2.0
87.00880	2.2
89.02454	7.4
103.00385	1.5
125.75372	0.9
129.01952	2.8
133.01443	7.0
135.04544	2.4
147.03018	3.6
191.02020	14.1
192.02193	1.2
205.21037	0.8
209.03056	100.0
210.03336	5.3
237.26677	0.7
249.06088	0.9
251.25658	1.0
255.66884	1.0
320.15939	1.0
367.66797	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19434	0.8
55.01861	2.0
57.01288	0.9
57.03456	5.8
59.01387	21.0
61.18701	0.8
64.47784	0.9
67.01910	2.3
68.09866	0.8
68.99840	2.6
69.03473	1.6
69.38276	6.1
71.01385	19.9
72.99320	6.3
73.02954	3.4
75.00882	18.3
81.03484	1.7
83.01405	1.6
83.05063	0.8
85.02962	29.8
87.00893	8.4
89.02457	5.3
93.03458	2.1
95.01392	5.4
98.20732	1.4
99.00893	10.5
99.04525	1.0
101.02411	1.2
103.00396	2.0
111.00876	2.1
111.04555	1.1
113.02459	25.5
115.00385	3.2
117.01953	4.4
121.02971	100.0
122.03301	5.4
123.04514	1.4
129.01962	2.7
135.04561	1.8
157.01370	1.5
166.05142	1.4
175.02548	2.3
177.04001	1.1
179.03499	1.2
182.00177	1.0
189.03999	0.8
191.01970	3.5
193.05078	1.3
195.05260	1.8
205.04903	0.9
209.03001	7.8
209.04582	0.9
231.05090	6.8
245.62285	0.9
249.06186	72.2
250.06512	4.0
353.08670	1.5
371.09851	50.9
372.10199	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	371.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	3.4
59.01387	21.2
67.01905	2.1
68.99823	2.5
69.63487	6.4
69.63893	3.2
71.01395	17.5
72.99315	6.8
73.02957	2.8
75.00883	16.9
83.01406	2.1
85.02964	22.7
87.00883	7.9
89.02465	5.8
93.03488	1.8
95.01405	5.5
96.31051	1.4
99.00900	8.3
103.00394	2.9
109.02983	1.5
113.02454	27.3
115.00394	2.4
116.51855	1.6
117.01984	3.5
121.02969	100.0
122.03344	4.1
122.87446	1.4
167.03508	2.7
175.02461	2.7
209.03036	3.9
209.04692	2.8
231.05113	8.7
233.22604	1.4
249.06166	75.6
250.06503	5.9
254.88290	1.6
371.09863	55.3
372.10257	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	371.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76544	0.5
57.03460	5.5
59.01385	5.7
62.26910	0.5
68.99831	1.0
70.44380	0.7
70.86597	1.1
70.86996	1.4
71.01393	8.3
72.99313	1.7
75.00865	1.2
77.90044	0.6
81.83769	0.6
83.01394	0.7
83.53436	0.5
83.77374	0.5
84.02174	1.0
85.02958	48.2
85.07156	0.7
86.03298	0.9
87.00883	1.5
89.02446	3.9
97.58778	0.6
103.00376	1.6
113.75689	0.5
114.90122	0.6
129.01955	2.1
133.01448	4.1
135.04524	1.4
147.02971	2.8
156.03613	0.6
168.18806	0.6
191.02005	12.8
192.02385	0.6
209.03046	100.0
210.03375	3.8
241.61674	0.6
252.99301	0.6
260.16412	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51641	0.7
55.01874	1.4
57.03458	5.1
58.88381	0.8
59.01389	4.2
62.13263	0.8
69.70020	0.8
70.28233	1.6
70.28593	2.0
71.01385	7.9
81.22684	0.7
83.01373	0.9
84.02189	1.0
85.02956	37.0
86.03323	1.2
89.02461	3.0
98.20343	1.8
103.00383	1.1
114.33424	0.8
129.01886	1.5
133.01381	3.6
135.04529	1.4
147.03011	2.4
179.03514	1.3
191.02002	10.8
209.03033	100.0
210.03362	3.3
275.89420	0.9
301.18475	0.8
314.09485	0.9
383.78110	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1711
Annotation	(-)-Furaquinocin C
Peak:m/z	Relative Intensity
59.01373	2.4
71.24874	3.2
78.95920	7.6
80.44704	1.5
85.02973	1.5
96.96956	2.7
106.46886	1.5
109.02959	5.0
111.66937	1.7
119.05034	11.9
121.03074	1.5
137.02451	21.4
149.01308	2.3
149.02457	36.5
150.02730	2.1
155.86040	1.4
165.01987	4.7
174.06926	1.4
177.01941	23.9
177.05569	6.6
178.02370	1.8
181.38777	1.6
183.01215	1.8
190.02747	1.9
191.07150	8.9
192.07968	17.3
193.08305	2.5
219.06615	10.1
220.07437	79.9
221.07794	6.0
233.08260	1.8
237.07764	1.9
245.11105	1.5
251.71565	1.6
311.09207	4.9
311.16904	3.8
337.14468	4.0
339.12390	5.0
354.14719	56.3
355.15036	8.4
369.17093	100.0
370.17389	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3013
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
50.35120	0.4
57.03448	0.6
57.89325	0.4
61.11163	0.4
69.35608	2.1
69.36028	1.2
83.71703	0.4
96.70535	0.5
137.99622	0.4
166.77522	0.4
180.90701	0.5
274.61188	0.4
279.27069	0.4
305.28491	1.2
307.30099	63.2
308.30408	9.2
325.30978	1.2
351.29068	17.3
352.29547	2.7
369.30109	100.0
370.30447	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	369.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.1
65.00327	2.4
68.99854	0.4
70.69904	0.4
75.32471	0.4
82.83079	0.4
83.01402	0.4
85.02962	1.1
93.03479	0.9
95.01405	1.1
95.05054	0.9
107.01393	0.8
108.02193	2.3
109.06618	0.5
119.05038	7.2
120.05385	0.5
121.02984	2.6
122.03765	7.8
123.00922	0.8
125.06128	0.5
133.02995	1.1
133.06555	0.6
134.03696	0.6
136.01674	2.3
137.02483	0.7
137.06041	0.4
145.06639	0.5
147.88063	0.4
149.02463	7.1
149.06049	4.0
149.06894	0.3
150.03242	8.7
151.00388	0.9
151.03622	0.4
158.03703	0.5
159.04596	0.5
161.02441	4.9
161.09779	1.1
161.54166	0.4
162.03209	2.0
163.00392	0.8
164.01112	1.0
165.01920	2.0
167.07123	0.6
173.06114	0.6
175.00322	0.5
175.07632	0.6
176.01163	0.9
177.01935	7.0
177.03375	0.7
177.05438	0.5
178.02689	1.1
182.02206	1.8
183.04462	0.4
183.99594	0.5
186.03262	1.7
187.11284	0.6
189.01982	0.6
189.05696	0.7
189.09180	1.0
190.02750	1.4
190.06351	0.7
191.07173	0.9
196.00111	1.0
201.05528	1.3
203.03679	0.6
203.07204	0.7
205.08727	1.5
210.01694	1.7
217.05070	1.6
218.05809	1.9
219.06429	0.6
222.01715	1.2
225.05521	0.6
231.06598	1.0
233.08206	100.0
234.08540	9.6
235.06133	6.7
241.05112	0.8
250.04846	1.1
251.07335	0.4
269.04581	0.6
270.05334	0.9
295.06155	0.8
295.09674	0.4
311.09363	0.5
323.09387	0.5
325.14343	1.0
337.10883	1.2
339.12491	2.5
351.12527	0.8
354.11063	0.5
369.13428	59.0
369.16785	2.5
370.13757	9.0
370.18060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17408	0.2
57.03459	1.5
59.01384	2.7
63.02409	2.8
63.89869	0.2
65.00012	0.3
65.00330	3.7
67.01888	0.4
68.99823	0.3
69.49278	1.8
81.03494	0.3
83.01389	0.7
93.03453	0.3
95.01390	1.0
98.19907	0.5
98.39362	0.3
105.07091	0.6
106.04259	0.7
107.01389	0.4
107.05035	0.9
107.08678	0.4
108.02174	0.8
109.02981	0.3
109.06606	2.6
110.00124	0.7
111.00875	0.3
119.05029	2.4
121.02943	0.7
123.00851	1.0
124.01673	4.6
125.09759	1.3
129.07126	0.7
130.04205	0.3
131.08685	1.3
131.96335	0.3
132.02164	0.4
133.02940	0.9
133.06613	6.8
134.03726	1.1
134.07033	0.4
135.00876	0.7
136.01666	2.2
137.02478	2.4
138.03224	0.3
139.00357	0.5
143.05045	0.3
145.02956	0.6
145.06619	0.4
147.04558	0.5
147.08167	0.8
148.01718	0.4
149.02463	1.9
149.06041	1.6
149.09760	1.9
150.03253	0.7
151.00371	1.4
151.07664	5.6
152.01140	1.8
159.04539	0.8
161.02397	0.5
161.06108	0.9
163.00366	0.6
163.07626	0.5
164.01192	1.3
165.01956	1.9
165.99097	0.3
171.04532	0.4
172.05376	0.7
173.06107	0.6
174.03201	0.6
175.00508	0.3
175.04028	0.2
175.07669	3.0
176.01196	2.2
176.04794	3.9
177.01939	6.2
177.05493	0.9
177.09213	0.4
178.02345	0.5
178.99849	1.2
185.06119	0.6
187.07614	0.3
188.04878	0.4
189.01933	0.4
189.05609	0.4
191.07156	3.2
192.07964	1.4
193.01390	0.4
193.08707	7.3
194.09035	0.5
197.06013	0.2
199.04050	0.3
200.04718	0.3
203.07196	1.2
204.46555	0.2
205.05090	1.0
205.08684	0.7
212.04799	0.6
213.05609	1.0
214.06317	0.3
215.03642	0.4
215.07190	0.5
219.06641	4.4
220.07399	2.7
221.08064	0.7
225.05614	0.8
228.07816	0.3
229.05122	0.9
230.05832	1.0
231.06573	0.3
233.08194	0.4
237.05588	0.4
240.11555	0.4
241.05135	0.7
243.06703	0.6
244.07558	0.3
247.06065	0.9
248.11992	0.7
249.05478	0.3
252.06398	0.4
253.05057	0.5
254.05730	0.5
255.06604	0.5
263.10681	0.3
265.05179	0.3
265.08636	0.4
267.13638	0.3
268.07605	0.4
280.11041	1.4
281.04742	0.5
281.11288	0.4
283.13406	0.4
287.22287	1.5
292.11127	0.5
293.04456	1.2
295.06253	0.4
295.13373	2.7
296.07114	0.4
296.13718	0.6
297.15033	0.5
300.06375	1.3
308.10620	1.0
313.14410	1.4
323.09460	0.3
323.12943	0.8
325.14404	0.3
335.09341	0.4
336.10098	0.6
339.12250	0.3
341.13989	1.1
351.12390	3.1
352.12756	0.5
354.11200	0.4
369.13449	100.0
370.13785	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	369.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.1
63.02401	1.1
65.00336	3.7
66.71150	0.8
66.71504	0.6
68.99823	0.8
69.84459	2.2
69.84869	1.3
79.01897	1.4
83.01376	1.2
95.01398	0.9
95.05045	1.5
97.03014	0.9
98.19971	0.9
107.01403	5.2
107.05070	0.9
108.02190	2.1
110.03740	1.0
114.39191	0.5
119.05032	11.4
120.05386	0.8
121.02974	1.9
122.03696	1.0
123.00884	1.9
125.06121	3.0
128.74867	0.6
131.05026	0.7
132.05923	0.7
134.25861	0.6
135.00925	4.3
136.01680	12.6
137.02422	0.8
149.06065	1.9
150.03218	2.1
151.00398	8.1
159.04539	1.4
163.00397	10.3
164.01176	6.6
165.01999	3.6
167.07097	1.3
168.00626	0.8
173.06113	0.7
175.07635	2.2
177.01901	1.6
178.02721	2.3
183.04556	1.1
184.05238	1.3
186.03242	3.8
187.03990	2.5
191.07071	0.9
196.00172	1.5
197.06111	2.3
199.07648	1.8
201.05540	3.6
202.06206	1.0
202.09900	0.9
210.01772	2.1
213.09207	0.7
217.05191	3.2
217.08720	4.0
217.12186	1.4
225.05577	0.8
229.04782	0.7
235.06143	1.4
240.07889	4.9
255.06570	0.9
255.10184	0.9
257.08115	0.7
282.05447	0.8
283.06226	4.5
284.06924	1.3
297.07712	5.9
298.08389	1.6
299.09283	6.1
300.09531	0.9
351.12378	12.9
352.12561	2.0
369.13455	100.0
370.13797	14.6
370.17795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29848	0.4
55.31784	0.4
59.01365	1.2
61.64838	0.4
63.02380	1.1
65.00334	2.9
66.50747	0.4
67.01919	0.5
68.99857	0.5
69.03434	0.5
69.31971	2.5
69.32381	0.7
70.06963	0.4
71.36842	0.3
82.76301	0.4
83.01396	0.6
89.03956	0.6
91.01912	1.7
93.03469	1.3
95.01421	0.5
97.02984	1.0
102.75868	0.3
107.01405	0.9
107.05049	0.7
108.02193	0.5
109.02973	3.4
109.06608	0.5
111.00811	0.4
115.31203	0.4
117.03496	0.5
119.01431	0.8
119.05048	7.6
119.05857	0.8
121.02943	1.3
121.06709	0.5
123.08141	0.4
126.57123	0.4
131.05055	0.5
133.02991	3.1
133.06601	1.3
134.03801	0.7
135.00912	4.4
136.01709	1.0
137.02406	1.3
139.03990	0.5
145.02991	0.6
149.02467	0.8
149.06039	1.5
149.99594	0.8
150.90886	0.4
151.00371	1.6
151.04099	0.5
151.07716	0.9
159.04478	0.5
161.02425	1.9
162.03238	1.0
163.00391	20.3
164.00780	1.2
165.01955	7.2
167.07162	0.8
168.98860	0.5
173.06064	0.9
175.00346	1.2
175.07686	0.7
176.01190	3.8
177.01939	9.2
178.02350	0.5
179.03537	0.7
185.09752	0.4
186.03271	1.2
189.01950	0.6
190.02757	1.6
191.03198	0.6
191.07225	0.4
197.06183	0.4
201.05576	1.9
203.10724	0.7
208.00140	4.0
210.06920	0.5
217.05165	1.0
217.12456	0.4
219.06570	0.9
221.06155	0.8
222.01826	2.0
225.05449	0.5
226.06386	0.6
230.05763	0.5
235.06143	6.3
237.05611	0.5
238.06422	0.7
251.07304	0.8
253.05032	0.7
254.05801	1.2
255.06644	1.5
269.08154	1.1
271.06204	0.6
280.05908	1.0
281.04532	0.9
281.08145	0.4
282.05368	6.9
283.05975	1.2
295.06171	3.6
295.09515	0.8
296.07101	2.7
297.07684	36.5
298.08014	4.0
309.17227	0.6
309.20618	0.5
311.09293	10.5
312.09644	1.7
331.15338	0.9
339.37054	0.4
351.12372	3.4
353.10532	1.1
354.10635	0.8
369.13440	100.0
370.13748	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	369.1346
Annotation	4beta-Hydroxyobovatachromene
Peak:m/z	Relative Intensity
53.85962	1.1
58.06559	1.3
59.61787	1.2
63.02375	1.4
65.00327	4.3
68.05817	1.4
71.88521	1.2
77.03957	2.0
93.03435	2.0
98.19877	2.9
107.05029	1.9
108.90798	1.3
109.02950	4.0
109.06610	2.0
119.05042	11.8
121.02946	12.2
123.00920	10.2
123.04533	5.6
129.07147	1.6
131.08609	1.5
132.05791	1.6
133.02960	3.5
133.06645	7.2
134.03740	2.1
135.04541	3.3
136.01668	3.5
137.02464	11.9
147.00864	7.0
147.04514	8.9
149.02467	22.1
151.00359	4.2
151.07672	1.8
152.01115	1.6
158.03769	2.2
159.04587	2.7
161.06090	16.6
163.04079	1.4
163.07626	1.6
165.01939	16.7
173.06065	4.8
175.04063	6.8
175.07660	7.0
176.01149	4.8
176.04817	2.1
177.01941	60.3
178.02298	3.0
181.05057	1.3
187.11281	3.9
189.05600	5.5
190.06412	8.5
191.03516	5.2
191.07150	17.0
192.07936	38.3
193.08324	3.2
199.03812	1.3
199.71242	1.3
201.05580	1.7
203.07147	3.3
205.05084	2.3
207.06613	10.2
207.10283	5.3
208.06926	1.4
213.09177	4.5
218.05876	4.6
219.06639	84.0
219.54794	1.3
220.07401	71.1
221.07841	4.8
226.09918	2.5
233.08136	4.4
247.06120	49.2
248.06509	4.2
255.06677	3.0
261.07690	9.5
262.08237	1.9
263.09128	2.1
267.06616	2.0
281.11789	3.6
283.06155	6.0
293.08130	2.0
297.11523	2.5
298.12000	2.2
310.12143	12.0
325.14459	2.1
326.11612	50.1
327.11929	9.3
341.13974	68.5
342.14410	8.7
354.11194	11.0
355.11282	1.7
369.09613	27.7
369.13461	100.0
370.09888	3.2
370.13824	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	369.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14758	0.5
59.01376	1.0
63.02382	0.5
65.00328	2.3
67.01910	0.7
68.99816	1.5
71.54195	0.8
77.81681	0.5
80.97591	0.4
83.01396	0.9
85.02966	0.8
89.04012	0.8
91.01881	1.9
107.01408	0.7
107.05031	0.9
108.02177	0.8
109.02975	4.5
109.06603	1.1
114.05635	0.5
116.44865	0.4
116.75427	0.5
119.01429	0.7
119.05042	3.5
121.02976	1.0
123.00848	0.7
124.01667	1.6
133.03000	5.5
133.06624	3.1
134.03792	3.3
135.00925	2.2
135.04536	5.7
136.01668	1.9
148.01671	0.8
149.02490	2.2
149.06099	1.8
150.03191	0.8
151.00380	1.0
151.03894	0.6
151.07652	1.3
153.01982	0.7
158.03781	0.8
159.04507	0.8
161.02467	6.1
162.03152	0.9
163.00394	9.3
164.01120	1.5
165.01994	0.9
166.02771	0.6
174.03206	1.3
175.00346	2.9
175.03981	1.3
175.07680	1.3
176.01212	2.2
177.01950	10.5
180.00702	0.8
181.01329	0.5
186.03209	2.2
187.04042	0.8
189.01936	1.0
189.05586	0.8
190.02768	2.4
190.06418	0.6
191.07004	0.6
192.07840	0.6
193.08705	1.6
199.04041	0.9
201.01967	0.6
201.05528	2.1
203.03542	0.9
203.07027	0.9
208.00072	0.7
209.06087	0.5
213.05632	0.7
215.03514	1.2
217.05119	1.8
219.06606	4.9
222.01678	2.7
232.07430	2.1
235.06145	3.2
241.05067	1.7
248.87437	0.5
257.04617	0.5
264.06390	2.1
267.10345	1.0
269.08118	1.0
271.05951	0.7
280.05829	2.8
282.05301	2.7
283.05997	0.8
291.61636	0.6
295.06168	2.0
296.06891	2.7
297.07675	12.5
298.08139	2.0
299.09253	1.3
300.06357	2.8
305.84155	0.5
310.12100	0.7
311.05756	1.0
311.09262	12.1
312.09528	1.4
325.14447	1.7
351.12338	2.0
352.13000	0.7
353.10074	0.8
354.10962	2.6
369.13434	100.0
370.13770	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	369.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57734	0.8
56.32670	0.8
59.06318	0.9
65.00333	2.0
66.83233	0.8
68.99814	7.7
69.94995	3.3
79.01889	1.3
83.01398	3.2
91.01906	8.4
93.03480	6.1
101.40411	1.0
107.05016	1.0
110.00116	13.4
119.05045	30.4
120.05392	1.0
123.00890	3.4
124.01682	3.1
132.48955	0.9
133.06610	11.0
135.04489	2.3
135.08192	1.2
135.48502	1.0
136.01682	2.8
137.02425	2.7
137.99596	11.0
139.48721	1.0
149.02452	2.9
150.06934	1.0
151.00381	8.0
152.01128	4.1
157.06691	1.5
161.06111	1.5
163.00395	15.7
163.04042	17.0
164.00986	1.5
164.04457	1.1
165.01949	6.6
165.99120	1.4
177.01949	2.7
177.05589	6.3
178.06363	11.2
178.99869	5.5
179.07072	2.6
187.04008	1.1
189.01981	1.1
189.05550	2.4
190.61653	1.2
190.99901	4.8
191.03529	11.7
191.07129	7.1
192.03992	1.2
192.07890	3.1
194.48605	0.9
203.10846	1.3
205.01343	1.1
205.05083	7.6
206.05840	7.9
207.06606	11.2
208.07121	1.5
215.03548	2.2
216.04300	2.3
217.05045	1.6
219.02962	2.4
219.06633	10.6
220.07436	7.1
229.05113	1.1
230.05884	1.0
233.04607	2.1
234.05353	58.9
235.06090	21.5
236.06517	1.1
241.05020	1.3
247.06113	3.1
248.06944	16.9
249.07704	6.6
258.05548	1.0
260.06912	1.7
261.07660	1.3
275.09183	2.0
293.08264	1.1
299.05859	1.1
300.06393	1.8
311.05768	3.9
311.09158	1.0
312.05823	1.2
326.11639	1.9
336.10019	1.2
354.11127	93.2
355.11484	13.9
369.13458	100.0
370.13782	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	369.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.1
57.03454	21.7
59.01383	6.1
67.01886	1.6
69.49154	3.3
69.49564	7.1
69.70397	1.3
71.01392	8.5
72.99300	2.9
73.02946	1.9
75.00868	3.4
83.01389	16.3
84.02155	3.0
85.02960	93.8
86.03310	2.3
87.00894	1.9
98.20692	1.7
101.02434	7.9
111.00889	40.6
119.05048	20.3
120.05386	1.4
129.01967	39.1
143.03467	5.9
145.02870	1.3
147.02985	4.1
161.04527	1.7
163.02795	1.8
163.04045	23.7
173.00896	1.5
187.02531	1.8
191.01991	3.6
191.63625	1.5
205.03554	33.8
206.03772	1.9
209.88007	1.8
223.04607	100.0
224.04982	4.8
242.68073	1.7
291.34222	1.7
331.98218	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.6
57.03452	14.5
59.01382	5.8
62.03484	1.1
67.01874	2.0
68.48771	1.2
69.23059	1.1
71.01391	9.0
71.26868	1.5
71.27213	1.2
72.99321	1.3
75.00869	3.3
81.96452	1.1
83.01394	7.3
84.02171	2.4
85.02962	88.9
86.03284	2.2
86.22489	1.2
87.00890	2.4
101.02446	8.0
111.00897	34.2
118.96888	1.2
119.05044	6.8
129.01956	29.1
147.02997	3.0
161.04550	3.1
163.03973	5.3
187.02449	2.3
205.01675	1.7
205.03564	34.1
205.59337	1.1
221.84891	1.3
223.04610	100.0
224.04930	4.7
264.74332	1.3
325.77740	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0981
Annotation	Gancaonin P
Peak:m/z	Relative Intensity
57.69109	0.7
59.01373	2.6
59.40773	0.7
63.02407	4.5
65.00331	12.8
67.01869	0.7
68.99825	1.6
71.01376	1.1
71.64460	0.7
75.15821	0.7
79.05500	0.8
85.02946	2.2
85.11679	0.7
91.01884	1.2
93.03463	7.6
94.44514	0.7
96.96006	0.9
98.19771	1.4
105.07131	1.2
107.05058	2.4
108.02170	1.3
109.02944	2.8
109.06601	4.0
110.11861	0.8
117.54082	0.8
119.01444	0.9
119.05038	6.5
121.02969	25.3
122.03204	1.2
123.00912	1.1
123.04530	2.1
124.01639	0.9
129.07147	2.0
131.08664	2.3
133.02908	1.4
133.06606	26.2
134.03734	1.4
134.06927	1.6
135.00908	1.6
135.04529	3.3
136.01636	2.6
137.02483	4.1
139.04015	2.5
143.04976	0.9
147.08171	2.4
148.01697	1.2
149.02467	7.4
149.06082	2.2
151.00372	1.2
151.07652	9.8
157.06613	0.9
159.04530	1.6
161.02435	1.7
161.06102	1.0
163.00388	2.2
163.07622	1.4
164.01125	1.0
165.01903	2.9
173.06024	1.0
175.00365	1.4
175.03964	1.5
175.07668	10.3
176.01172	8.3
177.01910	7.9
184.05327	0.9
186.03291	1.1
189.01875	0.9
189.05614	0.9
191.03497	0.9
191.07140	6.8
192.07906	5.8
201.05544	0.9
201.09009	0.7
203.07112	1.0
205.08701	0.9
207.06607	1.7
217.04939	0.9
219.06633	64.5
220.07259	10.7
229.11516	1.0
237.07729	2.2
247.06122	20.1
248.06467	1.4
261.07736	1.8
267.24594	0.8
283.06226	1.0
305.81635	0.8
312.02725	0.9
313.03525	2.6
326.11472	4.9
341.10297	1.5
341.13959	8.0
354.07425	1.3
369.09729	100.0
369.13577	11.1
370.10062	15.7
370.13919	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	369.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	5.8
57.03458	15.5
59.01389	13.1
68.99799	1.4
69.20132	14.6
71.01389	22.6
72.99321	4.2
75.00893	3.6
83.01390	14.2
84.02153	3.5
85.02961	100.0
86.03300	2.2
87.00890	2.5
89.02455	7.1
99.00888	2.5
111.00882	9.8
115.00368	3.0
117.03499	3.5
119.05041	50.2
120.05386	1.7
125.02454	2.6
129.01968	18.1
133.01480	2.0
133.02979	4.1
143.03499	8.4
144.02167	1.4
145.02959	23.5
145.04002	1.9
147.03011	8.0
147.04358	1.6
163.04019	57.1
164.04379	4.2
173.00900	4.3
187.02573	2.0
191.01997	44.0
192.02322	2.1
203.07158	2.8
205.03464	2.4
207.07745	1.8
223.04599	45.6
224.04988	2.4
231.06639	13.5
284.22113	1.5
285.03955	1.7
337.05585	6.5
341.05954	2.1
359.12448	1.5
369.05984	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	369.083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	5.2
57.03456	23.2
59.01381	3.8
67.01876	1.2
71.01389	6.2
72.99297	2.1
73.02962	2.3
75.00873	1.5
76.17941	0.9
83.01383	9.6
84.02172	2.2
85.02962	100.0
86.03288	2.8
87.00859	1.1
99.00891	1.5
101.02449	5.3
111.00893	25.2
112.01236	1.3
119.05038	10.7
129.01956	33.2
131.03511	1.3
133.02963	3.4
145.02893	1.9
147.02992	2.2
152.66315	1.0
159.03015	0.9
161.04581	2.4
163.03999	9.2
187.02556	1.2
190.99889	2.1
191.01949	1.5
197.50218	0.8
198.37798	0.9
205.03561	19.4
207.02930	1.3
223.04608	33.9
224.05031	1.0
264.17197	0.9
281.39258	0.9
369.16504	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
57.03449	3.5
59.01383	1.6
61.98839	100.0
62.98516	0.6
65.57203	0.6
69.54293	3.4
71.01392	1.3
72.17018	0.5
83.01398	1.4
85.02963	24.2
96.09921	0.5
101.02460	1.1
105.03536	0.7
109.02974	0.8
111.00902	2.8
119.05061	0.8
123.04528	0.8
125.02457	3.6
129.01955	4.0
133.02959	3.4
137.02481	1.0
139.04070	0.8
147.03036	3.1
163.04025	0.9
177.01939	0.8
191.02007	4.5
202.75597	0.5
205.03604	1.8
223.04628	4.6
305.06668	4.6
374.80261	0.5
383.88074	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11211	0.2
63.02412	0.5
64.08607	0.2
64.76175	0.2
65.00327	2.9
67.01895	0.4
68.99818	12.5
70.00170	0.3
71.01383	0.5
71.30845	0.5
72.99324	0.7
78.01123	0.3
79.01905	3.1
79.05550	0.3
82.00620	0.5
83.01392	5.7
91.01904	19.3
91.05529	0.8
93.03447	0.9
95.01400	1.0
96.99329	0.7
101.03984	0.8
103.05528	0.6
104.65430	0.2
105.03506	0.3
105.07095	0.3
107.01379	0.4
107.05026	1.1
108.02216	0.5
109.06591	0.3
110.00110	18.0
111.00949	1.5
115.05547	1.8
117.03464	0.9
118.04263	0.4
119.01424	0.6
119.05039	27.4
119.25939	0.3
120.05338	1.6
121.02982	0.4
123.00899	7.4
124.01661	0.5
124.98833	0.4
125.02448	0.3
128.01149	0.4
129.03468	0.7
129.07056	0.4
131.05051	1.1
132.05852	0.5
133.06599	6.7
134.07027	0.5
135.00896	1.5
135.04546	4.5
136.01672	1.4
136.98817	0.5
137.02472	2.4
137.99600	15.1
138.99901	0.7
141.99103	1.1
143.05035	0.7
145.02980	0.4
147.04558	1.3
149.02444	2.8
149.06081	1.2
150.06848	1.1
151.00380	12.8
152.00760	0.5
154.99934	0.4
156.00595	0.6
157.06615	3.5
158.06847	0.3
159.04510	1.0
161.06102	1.1
162.06836	0.9
163.00395	26.0
163.04022	26.0
164.00764	1.3
164.04379	1.4
165.01891	0.5
165.05557	0.7
165.99086	1.2
173.06033	1.1
175.04015	1.1
175.07652	0.6
176.01190	1.6
176.04768	0.7
177.01926	0.7
177.05583	5.9
178.06367	16.0
178.99852	4.9
179.06905	1.5
182.05902	0.3
186.03201	0.5
187.04007	1.0
188.04770	2.8
189.01996	2.5
189.05559	1.0
189.99225	0.3
190.99884	5.5
191.03525	15.4
191.07147	9.4
191.08913	0.4
192.00545	0.5
192.03848	0.9
192.07437	0.9
193.01385	0.4
197.06087	0.3
198.18896	0.3
199.07690	0.9
201.05521	1.6
203.03542	0.8
203.07141	2.6
204.00658	0.4
204.04279	0.8
204.07506	0.4
205.05075	7.0
206.05858	10.5
207.06396	0.6
210.07010	0.4
214.03531	0.2
215.03476	1.7
216.04274	2.4
217.01575	0.4
217.05070	1.7
218.05850	0.3
219.03049	2.3
219.06630	23.6
220.06967	2.5
229.05078	0.8
232.03751	0.5
233.04567	6.5
234.05344	59.5
235.05676	4.5
237.05643	0.3
240.04283	0.5
243.06651	1.4
244.07207	0.4
247.06119	7.6
248.06415	0.6
253.05119	0.4
254.05843	0.9
255.06604	1.1
257.04669	0.3
257.08118	0.4
268.03799	0.6
269.08224	0.5
270.05365	0.4
271.06369	0.3
272.06885	1.7
276.06415	0.8
282.05368	1.4
283.06104	1.6
285.07666	3.4
297.04449	0.5
297.07703	6.5
297.11331	3.1
298.08026	0.8
300.06348	1.0
307.09830	0.3
310.04813	1.2
311.05161	0.3
312.13644	1.0
313.07227	2.4
325.07169	11.5
325.10822	3.5
326.07498	1.2
326.11407	0.7
339.12350	0.4
340.13174	3.8
341.13547	0.7
349.10892	0.7
350.11484	1.1
351.12430	1.9
353.10339	7.7
354.10580	1.1
367.11899	0.8
368.12662	100.0
369.13000	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	367.2644
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
52.26787	0.5
54.92704	0.5
59.01386	2.6
60.79081	0.6
70.37512	1.0
70.37866	1.2
83.68667	0.4
90.96278	0.4
133.06607	9.7
134.06981	0.7
149.09735	86.7
150.10052	5.4
187.01073	0.5
194.09392	0.9
205.15988	45.4
206.16331	3.2
234.05531	0.7
295.17041	3.1
328.16830	2.1
367.26447	100.0
368.12546	0.5
368.26776	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	367.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88754	0.4
58.90088	0.5
59.01385	2.0
62.90620	0.5
64.10255	0.4
102.76267	0.5
109.08712	0.4
110.57020	0.5
112.74160	0.5
119.92840	0.5
133.06586	1.9
149.09734	84.5
150.10077	5.0
170.21822	0.5
184.97285	0.5
200.99063	0.5
205.15988	81.0
206.16331	7.8
225.16330	0.5
234.05424	0.9
367.26453	100.0
368.12650	0.8
368.26797	16.5
384.41666	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1551
Annotation	Louisfieserone A
Peak:m/z	Relative Intensity
59.01386	8.1
61.98827	0.9
71.23730	0.9
71.24068	1.1
85.02950	1.2
93.03468	1.7
106.04241	1.5
107.05021	2.3
119.05038	100.0
120.05365	4.7
121.02977	2.0
130.04274	1.0
136.01628	0.8
143.05032	1.2
145.03027	2.0
147.08179	1.3
149.02371	1.1
159.08192	1.9
161.98207	0.8
173.09706	1.6
183.08087	1.5
185.09793	0.9
187.03999	1.4
203.10812	2.5
247.09773	34.0
248.10136	2.1
253.68060	0.9
265.10858	6.6
285.20865	1.4
293.04550	1.0
293.20990	1.1
314.65604	1.0
367.15555	71.0
368.11780	1.5
368.15875	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	367.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	4.8
57.03449	4.6
58.00608	1.4
59.01386	31.3
62.30022	0.7
68.99790	0.7
69.72428	3.5
69.72840	1.3
71.01392	38.1
72.99310	1.6
73.02562	1.6
73.02958	24.5
75.00864	1.3
81.03474	0.8
83.01400	10.1
84.02168	0.9
85.02962	35.7
85.03478	1.8
86.00121	1.8
87.00888	2.3
89.02451	8.6
95.01385	2.9
97.02947	1.8
98.20583	1.1
99.00921	10.4
101.02457	51.0
102.02782	1.0
111.00891	1.4
113.02459	15.8
115.04002	0.9
123.04539	1.7
125.02469	3.6
129.01953	2.5
131.03496	2.1
134.03755	0.9
143.03494	2.0
146.14636	0.7
147.03023	3.8
156.59872	0.9
159.02985	3.7
160.01649	2.1
161.04579	15.5
166.61053	0.8
167.03548	3.0
175.04012	1.2
176.01033	0.9
184.34715	0.7
191.01964	3.0
193.05025	1.2
198.90985	0.7
208.99187	2.7
218.09868	0.8
233.06693	2.8
235.11897	100.0
236.12268	7.6
248.94484	0.8
340.47720	1.0
342.08243	0.8
367.16113	55.4
368.16562	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	367.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	9.5
65.00333	4.9
71.01377	1.0
71.54797	1.9
73.02982	1.0
80.15398	0.9
83.01407	2.0
90.99138	1.0
94.04240	1.1
95.05042	1.0
101.06097	3.0
107.01393	6.0
119.05051	1.1
119.61405	0.9
121.02970	1.0
132.02173	2.5
132.05806	2.9
135.04514	1.7
149.06082	1.2
151.00394	26.9
152.00748	1.0
155.10764	2.5
160.05298	3.5
164.04803	3.3
164.66429	0.9
165.01978	1.2
166.85641	1.0
178.10043	8.6
178.99844	1.0
187.11287	4.3
191.10938	1.1
192.04224	2.0
193.04869	1.0
205.11850	1.0
215.10808	24.5
216.11139	1.6
221.19080	1.9
225.05656	1.2
235.07634	1.1
237.18611	1.6
241.04832	1.0
247.17026	4.4
253.04962	1.6
259.06107	1.7
263.16571	14.1
264.17130	1.9
265.18103	100.0
266.18433	8.9
281.17627	10.0
283.02435	1.3
293.21088	2.2
296.03366	1.1
297.04129	2.4
309.03967	4.6
312.06412	1.8
331.22775	3.6
349.23859	83.2
350.24225	15.0
351.08759	2.6
352.09604	8.2
353.10031	1.3
367.11847	52.4
367.15179	2.2
367.24908	6.1
368.12198	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	367.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	13.2
59.01389	60.9
59.74765	5.9
61.98839	7.8
62.37999	5.9
65.29117	5.3
69.50845	12.6
69.51257	19.8
71.01389	22.3
72.99326	65.1
78.95889	9.9
83.01395	6.9
85.02968	82.7
87.00864	12.6
89.02474	7.3
93.03477	9.1
96.96025	32.0
99.00872	11.8
101.02403	7.8
103.00382	32.3
105.51568	5.2
107.05026	17.9
108.02187	38.9
109.02967	17.1
113.02434	13.3
114.38526	5.6
121.02973	26.2
122.03740	10.1
123.04548	14.9
129.01939	19.2
134.03755	59.9
135.04485	13.7
137.02448	11.4
146.99377	43.0
149.02449	6.1
152.99628	6.1
154.02710	7.1
161.02480	13.6
163.04019	12.0
174.31142	5.7
175.04077	6.3
179.03506	65.2
180.04277	15.3
191.02028	49.6
191.10802	14.5
193.05104	37.9
207.03011	10.8
212.78508	5.5
239.11160	8.2
250.48203	5.5
270.03821	33.7
277.10767	9.6
291.08612	12.1
313.34082	6.1
328.44186	5.6
367.10489	100.0
368.10779	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	367.1554
Annotation	Quercetol C
Peak:m/z	Relative Intensity
59.01388	10.8
69.56163	4.0
69.56567	1.2
80.28044	0.6
83.05066	0.6
85.02963	1.0
91.01903	1.1
91.04037	1.3
93.03460	1.2
96.96016	1.2
97.33962	0.6
101.06108	1.9
109.02944	1.1
109.06596	2.0
111.49931	0.7
117.03500	1.5
119.05043	100.0
120.05365	5.3
121.02960	1.0
122.39822	0.6
134.03773	0.7
135.00900	1.2
145.02983	1.1
148.05360	0.8
153.01955	1.3
170.07402	1.7
173.09729	3.2
175.04031	0.7
185.09753	3.1
188.01237	1.2
195.13919	1.0
201.12961	1.2
203.10797	5.2
204.11244	0.7
213.12915	1.3
229.08769	6.8
230.09016	0.7
231.13985	1.3
235.09654	0.8
243.10217	1.5
247.09784	12.8
248.10150	1.2
265.10873	3.1
293.21252	7.3
295.10022	0.6
307.38019	0.7
309.04047	5.0
309.20609	0.7
331.24948	5.4
337.14255	0.8
349.14465	6.7
352.09735	2.3
367.11774	6.3
367.15558	82.9
368.11899	1.2
368.15918	11.9
370.41818	0.7
377.11316	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20613	0.5
57.03452	2.4
58.00600	0.7
59.01389	6.8
63.80386	0.5
70.84880	0.7
70.85223	1.1
70.96805	0.4
71.01393	3.8
72.99323	0.8
73.02946	3.7
75.00890	0.5
81.07088	1.1
83.01421	0.9
85.02968	13.4
85.06608	1.9
89.02455	5.9
89.03993	0.5
94.14134	0.5
97.06590	1.6
99.08173	7.3
101.02458	1.5
101.06104	1.3
111.00925	1.3
113.02467	2.2
113.06096	6.8
115.07664	100.0
116.07986	3.3
117.03461	0.8
119.03504	2.0
125.06087	0.9
129.01936	2.9
129.05618	1.5
134.03754	12.7
143.06056	0.5
143.07158	10.4
144.07408	0.5
146.15031	0.5
147.03004	1.8
149.06076	1.3
154.00447	0.5
159.06642	9.1
159.07918	0.8
160.01666	1.0
161.04645	1.1
169.05089	1.3
173.00975	0.8
175.04033	1.9
177.11652	0.4
179.05644	3.5
187.06087	0.7
191.01971	2.7
193.05061	8.9
194.05435	0.8
201.85466	0.5
205.07121	0.6
261.07785	0.9
367.12341	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	367.1189
Annotation	Isoglycycoumarin
Peak:m/z	Relative Intensity
55.21568	0.5
58.22465	0.6
59.01385	4.0
71.01406	0.7
71.29709	0.6
93.03461	2.4
96.96018	2.5
108.02180	5.4
117.17251	0.6
119.05027	2.1
121.02983	1.5
123.04527	3.0
133.02957	2.7
149.02464	0.7
159.04526	1.0
173.06119	3.4
175.04053	0.9
175.07661	10.5
176.08070	0.8
189.05505	0.6
197.06277	0.7
201.05556	1.2
217.05064	2.1
218.05855	1.5
219.06619	1.8
225.05615	0.8
233.08142	3.8
241.05020	1.3
253.05072	2.6
269.04584	0.9
286.24045	1.3
286.30154	0.7
295.09875	1.7
296.10376	0.6
297.04150	4.5
298.04410	0.8
307.09680	0.8
309.04318	2.9
309.07422	0.8
311.05646	8.4
312.06024	1.9
324.10040	2.5
333.07700	1.1
335.09351	3.4
337.03506	1.2
337.07211	12.3
338.07452	2.0
339.12338	1.1
351.08774	26.4
352.09503	34.6
353.09882	4.1
367.11871	100.0
367.82043	0.8
368.12238	16.1
368.16852	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1189
Annotation	mollicellin H
Peak:m/z	Relative Intensity
50.73460	0.6
56.68918	0.6
59.01373	2.3
65.00015	0.9
65.00336	9.9
68.99829	0.9
69.22643	6.1
78.01134	1.0
83.01395	2.1
105.07081	1.2
107.05016	0.6
109.06591	1.4
110.00117	1.9
115.05531	2.9
117.03503	1.1
119.05045	11.5
120.05387	0.7
123.00857	0.7
128.16885	0.7
131.05046	2.2
132.05798	2.0
133.06612	32.8
133.11087	0.6
134.06888	1.2
136.98839	4.3
143.05011	0.9
159.04517	2.1
161.06065	1.5
165.05556	1.7
171.14079	0.6
175.04007	2.4
177.05545	1.4
183.04584	0.8
186.03284	3.2
187.03928	0.9
188.04805	2.5
189.05542	2.9
190.06393	3.1
195.04553	1.0
199.04080	1.4
201.05623	2.2
203.03522	2.4
203.07225	2.2
204.04250	2.0
205.05075	29.9
206.05447	2.4
211.04034	1.3
212.04865	0.7
218.05797	4.2
222.05310	0.8
225.05611	1.3
227.03517	1.3
233.04584	2.7
237.09204	0.8
241.05101	0.9
249.09087	0.8
256.03781	2.7
259.06152	0.6
262.10083	1.2
264.11426	2.4
267.13998	0.8
269.04501	2.2
280.11002	0.8
296.10330	0.9
297.04288	0.8
303.16122	0.7
309.07642	1.1
318.79422	0.6
321.11456	0.7
324.10114	3.8
339.12396	36.5
340.12708	5.4
345.03058	0.8
352.09586	2.3
367.11884	100.0
368.12289	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.1
56.99407	0.7
57.03455	9.8
59.01382	8.2
71.01392	7.4
71.54542	0.9
72.99305	1.4
73.02953	2.5
74.24546	0.7
79.13059	0.7
81.03471	0.9
83.01391	3.9
84.02179	2.6
85.02961	100.0
86.03300	2.1
89.02464	1.2
93.31525	0.6
99.00874	0.9
101.02456	7.0
103.00428	0.9
107.45044	0.6
113.02471	3.4
123.04522	6.7
125.02441	1.2
125.66248	0.8
129.01950	2.9
132.02184	2.3
134.03752	5.3
143.62775	0.6
147.03011	35.3
148.03357	1.4
160.01686	12.2
161.02313	1.2
161.04570	2.8
167.03517	29.4
168.03874	1.6
169.04085	0.8
175.03998	11.4
176.04396	1.1
183.59021	0.6
190.26195	0.7
191.02000	20.5
193.05098	3.5
208.99199	1.6
235.11876	17.3
236.12236	0.8
323.07681	2.1
329.08887	3.5
341.47382	0.7
351.19427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26501	1.0
56.23199	1.2
59.01393	11.0
60.22710	0.9
61.98823	1.3
71.54273	2.1
80.63026	1.0
93.34418	1.1
106.94087	1.0
108.93766	1.4
119.05013	3.5
132.02168	2.1
138.01932	1.2
172.05193	1.2
181.06544	1.6
185.02541	1.3
186.03256	2.6
187.11356	1.3
195.04488	3.2
199.04004	2.0
209.06042	2.3
211.04025	1.7
212.04559	1.4
213.02092	1.3
225.05516	2.2
237.05562	4.7
239.03607	7.7
240.04112	1.4
245.02509	1.8
253.05104	9.2
254.05580	1.5
263.16452	1.6
264.11566	2.1
265.05078	13.9
265.08084	1.8
265.18130	8.7
266.05304	1.7
279.10434	1.5
280.10974	3.5
281.04565	2.5
281.17776	1.1
283.02621	1.6
293.21112	1.8
295.10214	1.3
295.13229	5.1
307.09781	2.1
308.10492	12.8
309.04111	5.5
323.12750	2.8
335.09277	1.7
349.23862	8.1
352.09521	14.4
353.09744	1.7
367.11853	100.0
368.12247	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	367.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.9
57.03456	9.3
58.00592	1.1
59.01385	24.5
61.62403	0.6
61.98834	3.3
68.99838	1.2
71.01389	36.3
71.54120	0.9
72.99322	4.5
73.02955	15.5
75.00875	1.1
83.01400	8.5
84.02168	2.5
85.02959	100.0
86.03285	2.5
87.00881	4.4
89.02456	7.2
95.01385	2.6
97.02946	1.4
99.00893	5.2
101.02454	29.2
102.02748	0.7
103.00377	1.0
111.00896	1.4
113.01727	1.0
113.02466	13.1
115.04041	0.8
116.92910	0.7
119.03549	1.2
125.02441	1.6
125.47520	0.7
129.01956	2.8
131.03499	2.3
132.02171	1.8
134.03757	5.9
143.03499	1.5
145.08650	0.8
147.03011	43.0
148.03317	1.6
149.04573	0.7
149.06067	1.3
159.02968	2.4
160.01688	8.6
161.02385	1.0
161.04568	10.7
173.06097	1.5
175.04027	10.1
176.04312	0.7
191.01978	1.2
193.05069	2.8
202.06406	0.7
217.08699	2.4
221.10341	2.1
235.11882	51.7
236.12247	3.8
258.55600	0.7
323.07718	3.6
325.85532	0.7
340.08710	0.7
367.10590	4.0
367.16098	39.8
368.16653	4.3
386.39758	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.3
57.03450	11.8
59.01140	1.0
59.01387	8.6
60.29728	0.8
71.01382	1.2
72.99317	2.5
83.01383	2.0
84.02173	1.2
85.02960	55.5
86.03271	1.9
89.03977	2.9
89.20190	0.8
96.62165	1.1
99.00858	1.2
111.00922	6.9
112.31754	0.8
117.03472	10.9
118.03799	1.3
119.05028	3.6
123.04620	1.0
129.01964	30.7
130.02266	0.9
134.03757	100.0
135.04103	5.2
137.02464	1.5
142.89278	0.8
149.06100	7.5
163.04048	1.3
167.28450	1.1
173.00916	5.8
173.02190	1.0
175.04121	0.9
178.02689	4.3
187.07642	1.0
191.01984	11.4
192.02318	1.0
193.05077	85.8
194.05429	5.6
203.07094	1.2
205.08578	1.3
208.98982	1.5
229.08752	1.5
277.10947	1.0
299.52399	0.9
333.87195	0.9
367.06552	2.2
367.10596	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	367.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40638	1.5
52.12964	1.6
57.03456	14.0
59.01390	9.5
71.01405	5.4
72.99315	14.3
82.39074	1.6
83.01382	2.5
84.02184	4.9
85.02962	100.0
86.03323	1.9
87.00895	6.1
89.04002	2.7
98.19824	3.4
103.00423	3.9
111.00917	6.3
117.03481	6.8
122.03754	2.4
123.04570	3.4
125.02481	2.7
129.01961	35.6
132.02231	2.1
134.03760	68.2
135.04530	3.3
137.02473	5.6
146.03777	2.0
147.02989	6.9
148.05235	2.3
149.06105	12.6
150.03247	1.7
160.01688	16.4
161.02434	4.7
162.03270	4.8
164.04854	2.2
172.05409	2.8
173.06206	2.2
174.03149	2.4
175.04021	34.7
176.04375	1.7
177.09248	5.4
178.02744	5.0
186.37488	1.6
191.02003	38.7
191.03539	3.8
191.07147	2.1
193.05061	44.9
194.05359	3.5
201.09216	12.4
205.08682	4.0
207.06595	1.8
217.08727	4.8
218.05858	4.6
219.10318	5.8
229.08775	3.7
231.10307	3.8
233.08240	3.9
247.09731	3.6
259.09802	4.0
260.28354	1.6
261.07663	28.1
262.08029	2.2
270.03882	3.4
277.10849	6.3
367.06558	1.9
367.10519	22.1
367.14752	3.4
368.10657	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	367.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
56.46836	0.7
57.03458	10.9
59.01385	6.5
65.10914	0.7
69.43554	4.5
71.01392	2.1
74.72767	0.6
75.00876	0.8
79.64170	0.6
82.97987	0.6
83.01401	1.9
83.65130	0.7
84.02180	3.1
85.02962	100.0
86.03297	2.7
88.30453	0.6
97.02951	0.7
98.20760	0.6
98.68016	0.6
103.00378	1.0
111.00867	1.8
117.03435	1.4
123.04557	1.1
125.02441	1.2
129.01976	7.2
132.02179	2.2
134.03764	25.4
135.04324	0.7
137.02448	1.1
147.03015	31.0
148.03331	1.4
149.06120	4.2
160.01668	16.5
161.02083	1.4
162.06895	1.3
163.03984	0.7
163.07735	0.7
163.47972	0.8
175.04028	26.3
176.04430	1.7
191.00267	1.5
191.01994	29.6
192.02354	1.8
193.05086	10.8
194.05450	0.9
207.06639	0.7
217.08759	1.1
218.05966	1.2
236.07957	0.8
261.07712	10.0
262.07916	1.2
323.14441	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60653	0.4
51.84613	0.4
54.85366	0.5
59.01369	1.6
62.18145	0.4
70.40292	1.7
71.01384	1.2
73.02930	0.5
76.51352	0.4
78.95921	0.8
85.02961	1.4
87.00890	0.5
90.91765	0.4
101.02467	1.1
113.54168	0.5
118.02995	1.7
122.06134	0.8
123.05705	0.5
128.03535	1.0
131.03772	1.0
132.04582	5.6
150.05638	2.7
157.06171	0.8
159.03268	20.3
160.04057	100.0
161.04413	6.5
193.05190	0.8
204.03032	6.3
307.10336	0.5
312.11072	1.3
322.09338	14.2
323.09692	1.2
330.12033	3.6
366.08362	12.9
367.08676	1.5
374.93430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.5
59.01384	6.6
60.12762	1.6
61.11334	1.6
61.98840	100.0
65.22787	1.4
71.01390	1.8
71.53893	1.7
72.99316	2.4
85.02967	14.0
87.00896	1.8
89.02427	1.5
89.34110	1.5
97.08972	1.4
101.39452	1.3
111.00912	1.8
117.03481	1.9
121.03008	1.8
129.01959	5.6
131.29184	1.4
134.03764	12.1
149.06042	1.6
168.85207	1.3
173.00917	1.7
175.04013	3.4
179.03552	2.8
191.02025	2.1
193.05089	8.0
307.17783	4.2
367.10657	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89960	0.2
58.37912	0.3
59.01387	100.0
59.19342	0.2
60.01725	1.3
68.02548	0.4
71.01382	0.3
73.02946	0.2
85.02964	0.5
145.02965	0.3
174.81281	0.2
185.06047	0.3
187.04070	0.5
241.05151	0.4
285.04077	7.9
286.04568	0.8
364.99963	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
57.03444	1.2
58.00596	0.8
58.36134	0.5
59.01387	34.2
69.75708	2.8
70.47967	0.5
71.01387	15.7
71.05017	1.2
72.13713	0.5
72.99334	1.5
73.02939	2.1
75.00871	0.6
83.01398	2.6
85.02962	6.3
85.06588	1.2
87.00915	0.9
87.17966	0.6
87.65503	0.5
89.02453	9.8
95.01405	1.3
96.84174	0.5
99.00880	1.1
99.08209	0.7
101.02460	10.2
101.06083	0.7
113.02460	5.5
115.04014	0.5
119.03544	3.1
125.02422	0.6
157.12335	1.1
161.04546	0.6
167.10812	2.1
185.11827	5.9
201.11349	1.1
203.12897	14.7
204.13145	0.7
347.17117	7.9
348.17435	0.7
365.18185	100.0
366.18558	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	365.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42747	0.4
51.55714	0.4
53.79716	0.4
55.01883	1.3
56.13104	0.4
57.03456	1.1
58.00585	0.5
59.01387	15.9
60.01746	0.5
69.69814	1.4
69.70226	1.1
71.01391	11.8
72.99310	1.2
73.02952	4.0
75.00903	0.6
77.81760	0.4
83.01391	2.9
85.02962	5.3
87.00896	0.8
89.02464	3.6
95.01400	1.1
98.19913	0.9
99.00886	1.2
101.02458	10.0
111.00916	0.7
113.02465	3.5
119.03535	1.2
120.27064	0.5
125.02399	0.4
126.91463	0.4
139.11317	0.5
155.10724	0.8
157.12376	3.2
159.03058	0.5
161.04587	0.8
167.03496	1.3
185.11815	3.0
189.41423	0.5
203.12929	9.4
211.23109	0.4
245.13861	0.7
305.64050	0.4
333.81403	0.5
347.17209	1.3
365.18185	100.0
366.18546	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	365.1759
Annotation	Hexyl oroxylopterocarpan
Peak:m/z	Relative Intensity
57.22059	1.5
59.01387	16.4
65.00308	1.7
66.57387	1.4
71.23683	1.5
71.24022	2.3
93.03445	2.5
98.42428	1.4
115.05540	1.9
117.03448	4.0
119.05049	10.0
121.02969	1.6
128.71503	1.5
143.05051	47.3
144.05301	2.7
147.11752	3.5
157.06549	3.9
173.06067	3.5
175.14816	1.4
177.12834	6.4
183.04497	4.0
185.06100	67.8
186.06383	4.1
187.04083	2.7
197.06158	1.7
202.54480	1.3
209.09837	1.8
210.07054	1.5
223.07750	1.5
239.10793	1.7
251.10715	3.0
258.31424	1.5
279.17581	16.4
280.18030	1.5
313.51031	1.5
321.18631	78.2
322.18857	11.0
365.17587	100.0
366.17960	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	365.1395
Annotation	Ponganone I
Peak:m/z	Relative Intensity
51.42591	0.7
52.12126	0.7
56.47287	0.8
56.74027	0.7
56.86401	0.7
59.01385	13.0
71.24876	1.2
73.07230	0.7
77.03532	0.7
83.01385	1.1
83.75775	0.7
93.03494	1.5
96.96021	1.0
109.02980	1.1
117.03555	1.1
119.05038	100.0
120.05363	4.8
121.02975	1.4
130.04265	3.2
133.06554	0.9
145.02960	1.9
157.06581	3.3
158.03703	1.2
159.04483	2.2
171.08134	3.1
172.08929	1.2
173.09743	7.1
176.94476	0.8
185.06032	0.9
189.09187	1.2
199.07596	1.1
201.02419	1.5
201.09224	2.2
215.07272	0.8
217.08746	4.4
231.10257	1.6
235.09773	1.1
245.08188	27.3
246.08508	2.3
247.04079	0.8
259.09781	1.5
263.09241	8.8
291.19772	1.8
295.13504	0.9
337.14322	1.5
365.13934	92.6
366.14291	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	365.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07250	0.3
54.44519	0.3
57.03442	1.0
59.01384	7.8
59.01689	0.4
67.01886	1.2
67.20104	0.4
68.99821	1.0
71.01385	2.7
71.54424	0.5
72.99318	0.8
73.02945	0.7
75.00867	0.3
83.01405	1.0
85.02959	7.3
86.00124	0.4
87.00893	2.3
89.02447	0.9
95.01420	1.0
101.02448	1.3
101.06091	100.0
102.06416	2.9
103.00384	0.5
111.00890	1.4
113.02463	4.3
116.05090	2.4
129.01955	1.0
139.00386	1.1
157.01402	0.6
158.06093	0.4
161.04492	0.4
186.05609	4.3
189.04007	0.3
191.02025	1.2
217.10863	0.4
219.31081	0.3
263.07773	5.4
333.11719	0.8
365.14462	18.3
365.18002	1.2
366.11420	1.0
366.15555	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06919	8.2
59.01383	100.0
63.83960	8.4
71.54617	12.6
104.18530	9.9
115.10439	8.1
125.33416	9.3
125.61597	10.0
152.66547	10.3
167.10770	20.2
186.74620	10.1
208.87450	12.9
209.08891	11.8
327.21796	41.2
361.36673	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	365.1395
Annotation	Xanthoangelol C
Peak:m/z	Relative Intensity
69.44523	2.8
69.44944	0.7
71.20858	0.4
80.01971	0.6
87.97658	0.4
91.01906	0.9
93.03466	2.3
105.03443	0.6
109.02974	0.5
116.17167	0.4
117.03419	0.9
119.05042	100.0
120.05370	4.5
120.64713	0.4
121.02972	0.6
130.04263	2.6
133.06570	0.8
135.00899	1.9
136.01668	1.0
137.02438	1.2
143.05034	1.3
145.02966	2.7
145.06648	3.0
146.03677	0.6
149.02451	0.7
153.01932	0.6
157.06627	1.4
158.03746	1.0
159.04607	0.7
161.02449	0.8
171.04483	0.8
171.08180	0.6
173.06117	1.1
173.09703	0.6
175.07642	0.6
177.09241	0.5
183.08197	1.6
185.06116	0.8
189.05608	1.0
190.40221	0.5
199.07578	0.6
201.05618	0.9
201.09280	1.6
202.06044	0.6
205.61053	0.4
227.07150	1.6
245.08197	29.6
246.08566	2.5
255.06660	1.7
259.39264	0.5
263.09250	6.5
264.09628	0.5
267.06668	0.9
347.12888	1.9
365.13962	57.4
366.14322	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	2.5
59.01387	48.2
61.98870	2.1
71.01385	13.8
71.54018	2.5
72.99316	2.4
74.00810	1.9
80.04985	2.7
85.02975	6.7
86.98489	2.2
87.00883	2.3
89.02450	6.8
92.05077	5.8
94.06622	2.7
101.02444	3.9
104.05098	5.0
112.04053	15.3
113.02453	5.6
118.06638	14.8
119.06175	2.5
122.06096	11.0
123.03291	3.9
124.04068	13.5
124.07713	3.9
125.02451	2.8
134.06154	12.8
136.07744	3.0
138.05635	28.7
141.02267	1.8
146.06104	18.6
148.04060	26.2
150.05627	16.0
152.07225	3.4
160.04042	4.9
161.02417	2.2
161.04704	8.8
161.07269	6.5
162.05621	52.4
162.06963	2.9
163.05978	3.1
164.07082	4.6
166.05081	2.7
166.08698	3.3
167.03497	4.6
168.06685	2.5
178.05116	100.0
179.05452	9.0
180.06700	7.9
182.24094	2.1
184.06160	27.0
189.04338	4.3
190.05150	4.7
191.05869	5.1
200.10840	3.8
203.31253	2.2
224.10844	7.5
225.10374	5.0
227.08281	3.1
230.08101	2.5
230.11862	2.6
237.06879	2.6
241.13483	8.1
242.11911	30.1
243.11510	8.8
244.11719	2.8
251.08264	3.0
252.09138	12.4
255.11449	7.2
259.14465	2.7
260.12939	4.1
261.12503	3.3
267.11411	47.8
268.11914	5.5
269.09259	3.6
275.10446	3.7
284.08148	2.6
285.12473	79.6
286.12939	10.7
303.13510	8.3
305.12445	6.3
311.10257	3.9
317.11612	2.8
329.11429	74.1
330.11615	7.7
347.12497	22.9
348.12823	4.6
365.09540	4.0
365.13614	35.5
366.13995	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	364.9976
Annotation	Luteolin 3'-sulfate
Peak:m/z	Relative Intensity
52.86820	0.3
59.01390	2.3
65.00339	2.8
69.22673	1.6
69.23096	1.2
71.01394	0.6
83.01394	3.9
85.02970	0.4
107.01402	0.6
109.02995	0.6
125.02466	0.4
125.40690	0.3
133.02972	4.4
134.38684	0.3
140.96123	0.3
149.02505	1.6
149.03590	0.4
151.00366	0.9
153.00885	0.3
154.06233	0.3
169.06593	0.4
171.04533	0.8
173.06081	1.6
174.03209	0.5
175.04030	9.1
176.04343	0.5
185.06081	0.7
189.05602	1.0
197.06061	1.3
198.03215	0.4
199.04021	5.7
201.02020	1.6
212.04683	0.4
213.05614	1.6
215.03519	0.5
217.05083	21.2
218.05469	1.8
229.05136	0.6
240.04315	0.4
241.05011	2.2
243.03003	0.8
257.04556	1.0
282.81271	0.3
285.04086	100.0
286.04428	11.0
364.99786	4.6
365.99982	0.4
385.69516	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01112	2.3
59.01386	28.7
60.05154	1.3
71.01380	6.1
71.54014	2.4
85.02956	4.9
89.02445	4.2
95.65231	1.4
101.02448	4.0
108.02188	30.9
113.02437	3.5
119.41026	1.3
121.58920	1.3
123.04530	16.7
124.04082	2.0
138.05641	2.4
146.06181	1.7
148.04080	2.8
152.01163	30.0
159.08163	1.6
160.04062	6.3
161.04518	2.2
162.05544	4.8
165.01945	4.2
167.03517	100.0
168.03848	4.9
178.05174	7.3
184.06210	2.1
247.79205	1.6
267.11441	2.4
283.24466	1.5
285.12527	7.5
305.12555	1.7
329.08542	7.8
365.13681	4.5
366.08612	1.8
366.14349	1.6
369.19696	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	1.6
57.03442	2.6
58.00587	5.2
59.01386	100.0
69.87362	6.2
71.01389	70.5
71.72487	1.4
72.99320	6.6
73.02953	3.1
81.39419	1.3
83.01390	2.9
85.02960	20.1
85.99686	1.5
87.00876	2.2
89.02456	63.3
90.02774	1.5
95.01373	5.4
99.00892	1.6
101.02454	45.2
105.40354	1.2
113.02468	25.5
119.03519	34.8
126.18324	1.6
131.03505	3.0
135.04535	7.0
138.04414	1.3
143.03439	2.6
148.25822	1.4
149.04649	1.6
150.22726	1.2
161.04567	2.4
166.12956	1.4
177.71223	1.3
179.03502	4.5
179.05598	3.7
183.13931	24.7
184.14296	1.4
191.02023	3.8
194.88280	1.4
197.85497	1.4
201.14931	5.8
239.03447	1.5
255.03093	1.9
267.03183	1.7
268.03882	9.1
283.02496	15.9
283.06128	5.9
284.02911	1.9
363.01996	3.0
363.20264	94.4
364.20645	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	363.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97646	0.9
55.01880	1.4
56.23022	0.8
57.03448	2.8
58.00590	1.3
59.01388	26.0
69.53410	6.2
71.01395	14.4
72.99302	1.1
73.02947	2.8
83.01406	3.1
85.02966	6.2
85.06596	2.8
89.02445	8.2
101.02457	11.8
106.84657	0.8
113.02446	4.7
118.14024	0.9
119.03515	2.8
139.11278	1.0
165.09248	1.4
178.63441	1.0
183.10280	7.2
201.11311	9.1
345.10959	1.2
345.15402	2.9
363.16638	100.0
364.16998	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	363.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22797	0.5
59.01388	100.0
59.24179	0.5
60.01740	1.6
62.04691	0.5
71.01394	5.7
71.54984	0.8
73.02966	2.2
83.01427	1.3
85.02959	3.9
89.02445	2.7
95.01402	0.6
99.00900	1.1
101.02454	5.4
105.07105	0.5
105.15580	0.5
113.02479	3.0
115.20480	0.5
117.65453	0.6
119.03537	0.9
161.04588	2.7
182.71625	0.6
233.31123	0.5
283.06189	0.9
321.19199	3.8
363.01990	0.6
363.20316	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	1.6
57.03442	2.6
58.00587	5.2
59.01386	100.0
69.87362	6.2
71.01389	70.5
71.72487	1.4
72.99320	6.6
73.02953	3.1
81.39419	1.3
83.01390	2.9
85.02960	20.1
85.99686	1.5
87.00876	2.2
89.02456	63.3
90.02774	1.5
95.01373	5.4
99.00892	1.6
101.02454	45.2
105.40354	1.2
113.02468	25.5
119.03519	34.8
126.18324	1.6
131.03505	3.0
135.04535	7.0
138.04414	1.3
143.03439	2.6
148.25822	1.4
149.04649	1.6
150.22726	1.2
161.04567	2.4
166.12956	1.4
177.71223	1.3
179.03502	4.5
179.05598	3.7
183.13931	24.7
184.14296	1.4
191.02023	3.8
194.88280	1.4
197.85497	1.4
201.14931	5.8
239.03447	1.5
255.03093	1.9
267.03183	1.7
268.03882	9.1
283.02496	15.9
283.06128	5.9
284.02911	1.9
363.01996	3.0
363.20264	94.4
364.20645	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	363.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03455	7.5
58.00596	1.1
59.01387	86.7
60.01716	1.3
61.98837	7.3
69.16634	3.0
69.17061	4.0
71.01018	1.4
71.01390	27.0
72.01718	0.7
72.99299	2.1
73.02963	4.3
83.01394	2.2
85.02957	10.0
87.00907	1.3
89.02460	19.1
95.01412	2.7
99.00907	1.1
101.02453	20.3
109.21040	0.7
113.02465	9.0
115.04024	2.3
119.03515	6.3
119.04917	0.8
139.11288	0.9
150.03247	1.2
161.04568	3.0
161.67949	0.7
165.05621	1.6
167.03485	1.0
179.05621	0.9
182.62430	0.7
183.10275	19.2
184.10712	1.4
185.11787	1.8
201.11382	2.1
239.62709	0.9
267.33701	0.7
303.14523	1.7
345.15921	0.7
363.16638	100.0
364.16965	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	363.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92158	0.5
55.01883	0.8
56.67615	0.5
57.03438	2.0
58.00597	1.9
59.01389	35.1
71.01392	20.8
71.02192	1.6
72.99311	2.2
73.02943	1.5
75.00886	0.6
83.01406	1.9
85.02959	10.4
85.06603	1.5
87.00898	1.3
89.02459	16.9
95.01401	1.7
97.06651	0.6
98.02457	0.6
99.00894	0.8
101.02456	11.7
113.02457	6.2
119.03532	4.5
131.03444	0.7
135.04581	0.9
136.54311	0.7
139.11333	4.6
165.09229	1.7
183.10298	15.4
184.10675	0.7
191.01978	1.2
193.01550	0.5
201.11351	4.4
201.93887	0.5
209.02975	2.8
218.52173	0.6
287.10388	0.7
301.70831	0.6
319.12387	0.8
345.15195	2.0
363.16644	100.0
364.12476	0.5
364.16989	11.5
389.87997	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.3
59.01387	100.0
70.94578	4.2
71.01019	4.0
71.01391	63.8
72.99308	7.3
83.01382	3.6
85.02959	22.2
87.00860	10.6
89.02457	60.4
95.01408	5.8
101.02452	26.2
106.27117	2.1
113.02457	33.4
115.04002	6.2
119.03513	27.7
122.06118	8.8
123.00925	2.8
129.01923	2.4
131.03479	3.9
139.07600	4.3
143.03505	4.1
161.04550	8.5
171.18382	2.1
174.04549	2.4
175.04140	4.9
179.05623	26.8
183.06676	2.8
183.10274	15.1
194.08185	2.7
362.11734	6.5
363.11148	12.9
363.16574	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.2
59.01387	100.0
60.01736	1.0
69.31214	8.1
69.57658	0.8
69.91465	0.8
71.01391	8.4
72.99319	3.6
73.02956	1.9
75.00851	1.0
76.53217	0.9
83.01411	1.4
85.02957	4.0
86.03279	0.9
87.00890	1.1
87.04525	5.0
89.02448	4.4
101.02480	4.7
113.02457	2.1
119.03562	1.7
119.05039	13.2
120.05376	3.4
140.07199	66.6
140.40672	1.1
141.07542	3.6
161.04651	1.0
163.04034	13.4
164.04370	4.1
174.24051	0.9
183.10283	2.7
201.11346	3.9
228.03362	1.1
302.12592	1.3
362.15274	2.8
363.12051	1.8
363.16599	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	363.1242
Annotation	3,5-Dimethoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
Peak:m/z	Relative Intensity
56.43622	0.4
59.01385	1.3
59.69139	0.5
64.84132	0.4
66.44112	0.5
68.99791	0.4
72.10368	0.5
91.01919	3.9
93.03472	1.0
98.20686	1.0
101.19793	0.5
107.04371	0.5
107.05062	0.9
117.03481	1.2
119.05041	100.0
120.05370	4.5
121.02955	1.0
129.07080	0.5
130.04242	0.8
131.05057	1.2
135.00902	5.7
136.01669	0.9
143.08675	0.7
145.02950	2.9
145.06599	1.2
147.04562	1.4
149.02448	1.8
153.01938	3.7
156.05798	0.7
169.06601	1.3
171.08162	2.8
172.05368	0.9
173.06079	1.7
174.03304	0.6
181.06581	5.9
183.04608	0.6
184.05275	1.2
187.07635	0.9
197.06120	1.0
199.03923	0.5
199.07649	1.8
200.04846	1.2
213.05609	1.6
214.06293	1.5
215.07156	3.6
225.05537	4.8
228.04373	0.9
229.05858	0.6
239.07239	0.5
243.06622	14.6
244.06961	1.0
255.06636	4.2
261.07639	3.5
267.06628	1.3
273.15894	0.5
279.06650	1.2
319.09744	1.8
345.11322	3.7
346.11755	1.1
357.62982	0.5
363.12411	49.7
364.12711	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	361.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01720	1.3
71.01391	3.6
71.05469	1.1
73.02966	0.5
85.02981	1.1
89.02462	3.9
90.94801	0.5
101.02462	2.6
113.02482	1.6
119.03517	2.1
134.82080	0.5
143.03497	0.9
204.64279	0.6
361.29688	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83685	0.3
59.01386	16.9
71.08911	0.7
80.34955	0.3
149.87906	0.3
189.81096	0.3
223.67628	0.4
238.38242	0.4
264.66672	0.3
279.23315	100.0
280.23663	12.2
361.15836	4.1
361.23611	16.7
362.24078	2.4
376.90030	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2387
Annotation	Aglatomin B
Peak:m/z	Relative Intensity
57.03448	1.4
71.54025	1.1
71.54457	1.1
81.03460	6.6
83.01397	1.1
92.55316	0.8
93.07112	14.7
95.05029	11.8
97.06563	1.1
98.11421	0.9
119.05019	1.5
120.05927	0.8
135.08194	8.4
137.09726	5.6
139.07671	1.2
154.21661	0.9
163.03979	0.9
179.14427	2.6
181.15994	1.2
211.64232	0.8
219.17566	44.2
220.17876	4.4
221.15511	2.9
263.16541	7.9
273.22275	62.3
274.22580	7.1
317.21222	12.3
317.24881	7.5
318.21585	1.9
318.25043	0.9
361.23874	100.0
362.24222	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	362.052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32487	6.7
59.01378	32.9
61.98840	100.0
96.96044	8.5
132.50156	7.8
160.54289	8.0
188.67073	6.9
219.97763	8.9
228.76160	7.1
259.13263	7.3
278.13556	7.3
313.57593	8.3
332.01123	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	361.151
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
55.01881	2.2
55.63544	1.0
57.03449	3.4
58.00602	2.0
59.01389	38.3
69.03469	4.0
71.01390	30.3
71.54537	1.2
71.54888	1.0
72.99314	4.3
73.02959	7.6
80.96523	1.2
83.01415	4.4
83.04988	1.3
85.02969	13.0
87.00881	5.1
87.04530	1.2
89.02451	15.6
91.88361	0.9
92.65719	0.9
95.01412	2.9
95.05040	1.2
97.02958	1.3
99.00904	3.2
101.02466	17.4
107.08685	8.4
108.04586	1.9
109.06654	1.5
111.00968	1.1
111.04553	3.1
113.02479	9.8
113.22318	1.0
117.03519	1.3
119.03548	6.8
119.05042	1.9
119.08672	1.4
122.06106	2.5
125.02427	1.5
129.02011	1.5
133.06679	1.2
134.99162	1.0
135.04501	1.6
137.09737	3.1
141.01959	7.0
143.03462	1.3
145.03009	6.9
152.35530	1.0
155.10777	2.0
161.04662	4.0
161.73859	0.9
163.04039	1.4
169.01457	4.4
181.08748	13.8
184.03845	2.3
199.06113	1.7
199.09790	18.4
230.11909	2.5
235.84131	0.9
239.09412	1.3
241.10866	9.5
242.11209	1.1
255.11462	2.5
260.18668	1.1
265.07498	1.1
271.10623	1.5
273.12466	1.5
281.09558	1.6
285.08725	1.7
299.10345	2.1
317.11380	3.4
317.15231	1.1
325.09290	1.2
361.15070	100.0
362.15469	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	361.1662
Annotation	Sauriol A
Peak:m/z	Relative Intensity
55.01884	1.4
57.03449	1.8
59.01387	18.0
68.56782	1.0
69.33809	7.5
71.01388	14.0
72.99342	1.1
73.02959	3.3
77.99221	0.9
79.95712	1.6
83.01384	2.5
85.02959	12.0
87.00927	0.9
89.02454	2.2
93.03469	3.8
95.01418	1.0
96.96012	2.1
99.00832	1.0
101.02471	7.8
108.02181	2.1
108.60545	0.9
109.02960	11.5
113.02481	3.9
119.03539	1.1
119.05068	1.0
121.02968	36.6
122.03768	24.4
123.04615	4.7
124.01697	1.9
129.03448	1.6
132.92740	0.9
133.02971	3.0
134.03752	1.4
135.04550	4.5
136.01672	1.3
136.05241	2.7
137.02463	4.2
147.03055	1.5
147.03267	1.7
147.04547	14.8
148.05333	1.6
149.06085	2.0
153.01938	1.0
154.02760	2.8
160.05212	1.2
161.02507	4.9
161.06096	5.7
165.05585	41.3
166.05907	2.2
168.04225	1.5
179.03606	1.8
179.07164	16.0
180.07539	1.5
191.02003	1.5
191.07260	1.5
199.13417	9.1
209.03003	2.7
209.08250	1.7
209.11801	4.4
223.09705	1.8
298.11978	1.8
301.20410	1.3
315.12411	5.8
316.13098	1.4
319.21356	1.2
346.14200	13.6
347.14514	1.9
353.10400	1.2
360.60141	1.7
361.16049	100.0
362.16440	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	361.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72373	1.0
59.01379	2.8
68.99866	1.0
69.65910	1.2
69.66317	4.5
71.01375	2.7
85.02959	2.0
89.02420	1.3
91.81942	0.8
99.00845	1.2
101.02444	1.9
110.06145	4.6
113.03555	0.9
116.05070	2.6
118.06599	1.9
119.03715	1.0
120.04562	1.7
121.05399	1.2
121.78788	0.9
122.06152	16.0
124.04049	1.4
131.03754	1.9
132.04561	2.6
133.05327	1.0
134.06134	1.3
144.04547	5.3
145.05344	18.8
146.06155	9.8
147.03229	1.4
148.04036	3.9
152.03546	2.1
158.47830	1.0
159.03264	4.8
160.04060	62.8
161.04849	30.5
162.05421	3.1
164.03519	1.6
175.02708	1.9
176.03511	11.5
177.04333	9.6
179.05859	1.0
188.03529	3.9
189.04335	80.9
190.04926	6.0
191.04874	1.4
192.03047	4.0
193.03792	17.3
203.05894	3.2
220.06200	1.3
221.03380	17.4
221.06906	20.3
222.07358	1.5
224.10992	1.2
225.06442	1.0
231.11400	3.3
243.11377	5.4
253.05899	7.1
255.11424	17.6
256.11761	1.9
267.11407	32.9
268.11728	3.1
271.10849	3.1
283.10870	3.1
285.12485	4.1
299.10349	17.8
311.10406	43.4
312.10764	4.2
313.11566	1.2
329.11453	16.8
330.11847	1.9
331.13025	22.1
332.13339	2.8
343.13000	100.0
344.13354	13.0
361.10037	1.3
361.14078	23.0
361.22028	1.0
362.14404	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21933	1.5
54.58340	1.6
59.01381	9.4
69.43500	11.3
71.01392	7.3
72.99287	2.0
73.02978	1.8
74.22165	1.4
83.01429	1.7
85.02956	4.3
89.02451	5.1
94.19048	1.3
95.89341	1.3
99.00890	2.6
101.02448	4.9
107.03794	1.7
108.04573	1.5
110.06128	6.9
113.02446	2.0
116.05074	1.5
119.03716	1.8
120.04586	2.2
121.05376	2.0
122.06146	16.6
123.06490	2.2
131.42538	1.5
132.04581	3.4
135.04526	1.8
137.09760	2.4
144.04562	5.9
145.05345	24.4
146.02525	1.8
146.06154	12.7
147.03236	2.9
148.04034	5.6
152.03564	1.6
159.03282	6.2
160.04057	66.8
160.05400	3.2
161.04834	33.2
162.05550	3.2
175.02693	1.9
176.03557	10.7
177.04282	12.4
188.03557	4.3
189.04335	89.3
190.04944	7.1
192.03015	3.9
193.03839	17.7
199.09752	1.7
220.06100	2.0
221.03410	18.7
221.06920	20.7
222.03854	1.7
222.07343	1.6
231.11272	3.5
243.11400	8.4
248.97069	1.3
253.05956	8.9
255.11395	22.5
256.11652	2.4
267.11414	42.8
268.11670	3.1
271.10889	1.8
275.78384	1.5
277.73474	1.4
283.10767	1.7
285.09055	1.7
285.12488	6.4
299.10345	22.4
300.10944	2.4
311.10410	59.4
312.10742	5.6
329.11469	23.8
330.11880	1.7
331.13043	29.8
332.13425	1.9
343.13016	100.0
344.13318	10.9
361.09982	1.8
361.14371	32.8
362.14813	3.0
374.36340	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43955	3.0
59.01389	46.1
61.40045	2.4
69.96458	13.9
71.01402	14.1
72.99332	3.3
73.02966	6.8
78.95914	8.6
85.02960	14.5
89.02509	3.0
96.96982	6.5
98.20660	4.6
101.02478	8.1
113.02474	9.5
117.36433	2.6
121.02918	3.1
123.00906	100.0
124.01758	16.0
135.04535	4.5
137.02483	4.9
138.03252	78.5
139.00400	5.1
139.04048	27.9
149.02454	3.9
161.04578	22.7
164.98332	3.6
166.02733	3.1
181.05147	9.7
182.99353	5.9
191.02049	3.3
226.49808	2.7
301.09277	36.0
361.07657	8.5
362.11511	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	361.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46461	2.8
59.01381	49.6
66.47924	2.7
69.23285	4.4
69.23688	23.7
71.01383	21.8
72.99312	3.9
73.02956	5.3
78.95922	8.4
85.02956	16.2
95.01414	4.3
96.96967	3.3
98.19879	6.5
98.20563	9.8
101.02444	12.0
113.02444	11.1
121.02924	5.4
123.00006	6.2
123.00898	100.0
124.01660	13.2
137.02443	7.3
138.03244	91.3
138.04335	3.7
139.04059	27.6
140.01213	3.3
151.04056	4.4
155.03429	4.2
161.04575	30.0
164.98280	7.0
181.05054	10.1
182.99335	10.7
191.01926	4.9
198.01657	3.6
232.06804	2.8
301.09302	36.5
302.09802	3.1
361.07825	9.6
362.11295	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	361.141
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84935	1.6
59.01382	8.9
71.01389	9.0
71.54724	2.6
73.02965	2.5
75.00883	1.8
85.02958	4.1
89.02390	2.7
99.00890	3.0
101.02471	3.0
108.02214	1.8
110.06113	3.4
111.00908	2.2
122.06148	14.1
128.03653	2.2
132.04559	5.7
138.05630	8.0
139.05933	6.9
144.04582	5.4
145.05305	14.8
146.02417	1.8
146.06161	9.8
148.04019	5.1
159.03247	3.4
160.02782	3.9
160.04051	57.6
161.04842	22.5
162.05536	4.6
176.03546	9.8
177.04344	13.1
177.95067	1.7
188.03519	4.1
189.04323	69.8
190.04781	5.3
192.02885	2.2
193.03818	21.2
194.04062	3.2
199.13510	2.0
221.03409	18.4
221.06932	21.0
231.11392	3.8
236.08096	3.1
236.20358	2.1
243.11418	7.3
253.05908	6.0
255.11443	15.8
267.11380	31.9
268.11655	4.0
283.10892	3.1
285.12445	6.5
299.10321	15.7
311.10406	43.4
312.10657	6.6
329.11502	15.6
331.13025	25.4
343.13004	100.0
344.13309	12.5
361.07129	2.4
361.14072	26.0
361.22266	8.3
362.14594	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	360.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67175	0.6
59.01105	1.1
59.01386	12.5
68.66066	0.6
71.01394	8.3
71.53735	0.9
72.00902	1.2
72.99310	5.7
73.99675	0.8
78.30035	0.6
78.95908	1.2
81.03458	1.3
82.22002	0.6
83.01382	0.7
85.02946	3.3
89.02459	7.5
92.76440	0.6
95.05062	1.2
99.04528	0.9
101.02450	3.8
104.80818	0.6
108.04574	1.4
113.02460	2.7
119.03579	3.1
119.04978	0.8
120.04598	0.8
121.05346	1.7
123.04553	1.8
125.02465	1.1
134.06108	1.8
135.03278	1.0
135.04501	2.4
136.04883	2.1
136.07697	47.4
137.02451	1.1
137.08040	2.8
138.03342	0.7
138.05621	1.0
139.00362	0.7
139.04074	1.0
140.01187	0.9
143.03497	1.0
149.02464	1.0
151.04054	0.8
152.91789	1.0
153.01891	0.7
167.03514	3.8
179.03496	2.1
180.06676	100.0
181.07011	5.6
182.99280	1.0
193.01465	2.5
197.04539	4.0
198.04898	4.6
219.08167	0.7
220.08569	1.3
223.02542	0.7
225.04141	1.5
238.09525	3.1
251.01881	0.7
257.07611	0.8
264.07431	1.1
281.10059	1.6
282.08548	1.1
285.73010	0.7
299.11401	1.2
314.12274	0.9
325.09430	1.3
342.11804	5.4
343.10397	0.8
360.13223	18.6
361.13101	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.07
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33930	3.3
59.01381	6.8
70.67649	9.1
71.01400	4.9
81.73914	3.0
113.02533	4.7
119.05038	77.9
137.06175	3.7
139.31201	3.2
163.04028	100.0
163.87924	3.1
164.04404	5.4
213.58833	3.0
239.05809	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	359.2232
Annotation	Lagerstronolide
Peak:m/z	Relative Intensity
57.62061	2.5
58.22623	2.3
59.01380	5.8
68.99827	2.3
80.92001	2.1
81.03457	5.9
82.20156	2.3
93.07099	12.3
95.05048	18.3
107.35342	2.4
109.06503	2.4
119.05019	4.1
135.08208	2.7
137.09741	9.9
177.12856	6.0
217.15994	44.4
218.16347	4.6
261.14960	9.1
271.20721	62.3
272.21002	6.5
287.92789	2.6
309.63647	2.4
309.88788	2.9
315.19711	17.1
315.23352	12.8
359.22318	100.0
360.22665	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	359.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18620	0.7
56.03402	0.7
57.03437	2.4
59.01387	100.0
61.98820	0.8
70.94111	1.3
70.94455	1.5
71.05030	4.5
80.89314	0.8
81.03469	1.1
81.41499	0.8
83.05054	4.4
85.02958	35.0
89.65319	0.9
101.06090	19.6
152.91774	1.0
167.40227	0.8
174.99280	1.3
194.92863	1.3
197.17670	0.8
197.19168	6.8
211.20773	1.8
217.00322	3.1
223.20668	1.0
225.22256	3.0
237.22229	2.0
251.23933	1.4
255.23323	20.2
256.23737	2.1
281.24844	2.4
299.16245	1.8
299.25861	1.0
341.27078	2.8
342.27255	1.4
359.15515	1.7
359.28067	49.7
360.28381	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.8
59.01383	2.5
69.03446	1.1
71.01394	0.9
73.02947	1.8
79.06076	0.6
84.39676	0.7
85.02966	1.1
89.00811	0.6
89.02448	4.1
89.16370	0.7
98.19871	1.7
98.22449	0.7
110.34346	0.7
111.08171	1.9
119.05041	1.5
131.03511	1.8
142.49539	0.7
149.04570	18.6
165.12874	26.0
166.13181	2.1
183.13913	100.0
184.14240	7.5
209.11913	2.1
217.00426	1.9
227.12909	89.2
228.13222	6.9
298.01047	1.7
313.03641	1.0
313.23871	3.7
341.27063	1.0
359.07898	0.8
359.12857	1.5
359.17297	8.0
359.24808	2.2
359.28067	42.4
360.17126	1.7
360.28397	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	359.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.59493	2.4
78.95889	2.7
87.21518	2.7
141.12790	3.3
148.09776	2.8
149.59430	3.2
152.91753	3.3
174.99263	6.9
201.02556	5.5
207.60677	3.1
217.00340	23.0
227.20198	5.5
287.22290	67.3
288.22595	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	359.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	24.5
69.22379	4.6
69.22787	2.0
70.35817	0.6
70.83102	0.6
78.56431	0.6
100.81500	0.6
105.89912	0.7
117.15472	0.6
141.57420	0.9
185.46159	0.7
214.50914	0.6
233.22737	1.1
277.21750	100.0
278.22116	12.0
359.22073	16.4
360.22461	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	359.1351
Annotation	Semperoside
Peak:m/z	Relative Intensity
59.01391	23.0
64.29719	1.3
67.65858	1.3
71.01387	15.8
71.41290	1.5
73.02955	1.6
76.85467	1.4
85.02959	3.8
89.02465	8.6
95.01421	2.2
101.02447	6.0
107.08676	1.7
107.09749	1.3
110.28348	1.5
113.02476	6.1
115.14781	1.4
119.03550	2.5
125.02473	2.0
133.10252	3.6
135.08145	4.9
136.98735	1.3
153.09230	100.0
154.09566	6.4
160.05342	3.0
178.80049	1.5
195.02979	1.7
197.08206	86.4
198.08548	5.3
229.35663	1.9
329.13962	2.6
359.13635	1.9
359.20822	3.7
373.46249	1.6
378.02979	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42675	1.6
53.58354	1.6
59.01377	3.3
69.25413	14.1
71.01392	2.6
79.14691	1.7
79.95755	11.8
83.08162	1.5
89.70280	2.1
96.96017	11.0
121.02979	12.3
122.03749	3.0
123.66865	1.8
136.05286	3.1
137.02446	2.7
137.06172	2.5
145.02954	3.0
147.04529	7.8
149.02489	3.4
150.03212	8.5
157.05206	1.5
158.03758	6.6
159.04524	18.4
160.05316	46.6
161.06114	20.2
163.04013	14.4
164.04797	5.7
173.06082	9.5
174.03268	2.5
175.04041	9.2
175.07664	38.9
176.04756	4.2
176.08006	1.8
177.05592	10.8
178.06355	11.6
180.04346	3.3
187.22403	1.4
188.04955	2.2
189.05597	3.7
190.06367	10.3
191.07184	9.2
193.05118	3.4
193.08757	2.5
200.15218	1.4
205.08701	7.6
207.06717	2.1
208.07375	5.9
241.00139	1.8
256.99756	4.5
262.63226	1.5
281.17435	1.8
329.13992	100.0
330.14349	14.1
344.12570	2.2
359.15146	16.4
359.20587	4.1
359.24576	3.3
360.09933	16.0
360.14795	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	359.1353
Annotation	Semperoside
Peak:m/z	Relative Intensity
50.60159	1.4
59.01110	2.5
59.01384	27.5
59.13944	1.5
61.53588	1.5
61.70543	1.6
62.89883	1.6
71.01397	12.5
73.02960	1.7
85.02958	4.6
89.02460	11.5
89.58574	1.6
90.90612	1.5
93.17501	1.6
95.01399	2.1
101.02432	6.7
107.61874	2.0
113.02431	4.7
117.68140	1.6
119.03497	2.3
133.10249	3.3
135.08188	5.4
153.09229	100.0
154.09520	7.8
160.05322	2.1
175.07600	1.9
197.08205	93.4
198.08554	8.1
239.09358	1.6
329.14020	2.7
341.19315	1.7
359.12817	2.5
359.20914	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	359.0986
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
59.01376	0.8
60.35214	0.7
70.28084	0.6
70.84947	0.7
70.85278	1.0
81.53509	0.5
84.90208	0.6
85.02954	2.4
85.76862	0.7
87.03369	0.8
92.52526	0.5
95.01383	3.8
96.04573	0.6
109.03027	0.7
112.50163	0.6
123.00898	44.0
124.01190	1.4
135.04507	1.2
135.54506	0.7
137.02444	1.8
138.03241	53.5
139.03534	2.0
152.04723	0.9
153.05597	18.5
154.05914	1.0
161.08214	2.1
166.99860	12.5
168.00198	0.9
177.96373	0.7
182.02226	40.0
183.02577	1.7
197.04564	100.0
198.04868	5.5
211.03340	0.8
213.03969	0.9
213.51151	0.6
227.89188	0.7
271.09927	0.7
359.10068	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	359.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68873	1.5
57.19419	1.6
59.01381	5.2
65.00326	2.3
67.01904	2.9
68.99835	4.5
69.03467	2.2
69.11826	1.5
70.07840	7.1
83.05048	2.1
93.03457	2.2
95.01395	7.9
95.05041	7.6
97.02950	2.8
101.02422	2.5
106.24835	1.7
108.02200	7.2
109.02939	1.7
110.00072	1.8
111.04548	2.9
111.82451	1.6
114.52679	1.8
117.03477	5.5
119.05035	30.0
119.67130	1.9
121.02983	4.9
132.05823	22.3
134.03726	7.7
139.04016	8.1
143.05049	8.1
145.02946	4.5
149.02505	2.6
157.06630	4.8
158.03735	2.0
159.04538	50.3
160.05304	8.1
169.06638	9.7
170.07268	2.3
171.04553	19.6
172.05267	6.8
175.07661	86.5
176.08006	6.5
177.05559	8.4
185.06111	14.6
186.03210	7.6
186.06825	4.5
187.03996	3.0
187.07701	1.8
195.04677	2.1
196.05199	2.6
197.06058	6.5
198.06892	18.5
199.04030	7.1
200.04718	3.3
201.05557	3.7
211.07631	2.5
213.05611	15.7
213.09082	3.4
214.06380	23.1
215.06915	2.9
223.09840	2.1
224.04718	3.5
229.08762	2.7
239.07259	2.2
241.04944	1.9
242.05844	18.3
243.13904	2.5
257.08221	100.0
258.08612	10.8
297.11481	3.4
300.02719	2.7
304.38208	1.6
315.12366	19.7
316.13223	2.0
355.77655	1.7
359.11383	15.4
359.15540	1.9
359.20572	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	359.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	87.3
60.01719	0.8
70.27520	3.3
90.97144	1.0
100.43872	0.8
102.54575	0.8
132.98206	2.2
157.03601	1.7
174.97751	1.3
174.99269	22.5
180.47986	0.8
201.02579	24.3
202.02783	2.2
217.00319	100.0
218.00681	4.3
256.87796	0.9
274.88736	2.4
298.89001	1.5
316.89828	2.4
317.00803	2.2
359.01590	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	359.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00263	0.7
53.48004	0.6
57.03444	2.4
58.96631	0.5
59.01383	2.2
65.00317	2.3
67.01893	1.6
67.10154	0.5
68.99841	2.6
71.01385	1.6
78.95918	0.6
81.03463	2.3
83.01396	14.7
84.01736	0.6
85.02969	3.6
86.03285	0.9
86.69086	0.5
87.03406	0.9
91.01930	0.7
96.96028	0.9
99.68985	0.5
101.02436	0.8
107.01366	2.6
109.02962	7.5
111.00909	1.0
113.02476	0.7
121.02974	0.8
123.00914	5.1
125.02465	35.4
134.03806	0.7
134.04753	1.6
135.04533	1.7
136.93994	0.7
137.02469	0.8
138.03246	4.5
139.04024	0.9
140.01183	0.9
149.02458	2.3
149.06096	1.4
150.99203	0.9
151.00386	14.4
153.01952	100.0
153.05586	2.4
154.02286	5.5
166.99881	1.0
167.03502	2.8
177.01979	3.7
178.99889	3.2
179.03531	1.3
182.02200	4.1
195.03004	1.7
197.04559	10.7
211.03485	0.6
212.03749	0.8
237.09291	0.6
239.05688	1.5
307.10748	0.7
315.07178	6.7
341.05002	0.7
359.06192	6.1
359.09845	0.5
360.06799	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15762	0.9
58.02974	1.5
59.01387	9.6
60.77189	1.0
67.01900	3.4
69.03442	1.1
71.01382	3.6
71.54251	1.2
72.00936	2.1
72.99337	1.3
74.02482	100.0
75.00883	1.8
75.02800	1.3
82.02994	2.3
82.06638	3.1
82.15810	1.1
85.02977	2.1
89.02451	2.2
91.20931	0.9
92.05066	4.3
98.02486	79.0
99.00896	4.0
99.02822	2.1
100.00421	3.6
101.02442	3.6
108.02186	3.2
109.01659	1.1
109.02995	7.5
112.02748	1.5
112.04042	3.1
113.02483	1.3
116.03548	3.4
118.05127	11.7
121.03008	1.4
123.04543	3.1
124.11316	1.2
125.03619	5.9
129.73375	0.9
134.06161	2.2
135.04546	3.5
136.04056	10.4
139.08820	5.4
140.07190	4.9
140.10835	2.5
141.10399	1.9
143.04633	2.8
149.06117	3.4
150.09239	2.0
152.07230	2.1
153.05626	1.6
154.08788	2.0
161.06071	3.3
162.96362	1.1
163.04083	1.2
164.10832	2.7
166.08772	2.3
167.11906	1.4
168.10335	9.5
169.09802	5.0
179.03510	2.5
179.11905	2.5
181.09904	1.7
182.05972	1.3
194.08244	21.3
195.05038	1.3
197.04671	1.1
207.11414	15.6
208.11696	2.0
212.09335	3.2
225.12479	8.6
239.05692	4.9
242.05817	10.6
243.06625	1.6
251.14214	1.1
257.11493	8.0
269.11444	69.7
270.11792	6.8
271.09799	16.6
313.14096	19.6
314.13614	22.6
315.14108	2.1
358.12149	1.5
358.16211	37.9
358.20728	1.9
359.07956	2.9
359.16458	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	358.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00150	21.2
53.13528	19.7
54.96528	21.4
57.67354	22.9
59.01389	42.1
71.54085	23.7
73.02955	24.7
73.88402	21.3
83.37699	23.4
84.58525	20.2
93.65031	20.8
95.05045	40.8
122.03692	23.7
127.14399	23.9
149.90495	23.7
159.79279	24.6
217.15848	54.6
268.92325	22.5
271.20770	53.3
311.23969	22.8
315.19873	29.2
359.22101	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.6
59.01387	100.0
60.01706	1.2
61.98827	1.4
70.36580	4.2
71.01398	6.4
73.02956	2.5
78.95916	2.5
83.01388	1.9
85.02954	10.0
88.79858	1.3
89.02443	1.5
93.03447	1.2
95.23485	1.5
98.53198	1.2
101.02443	5.5
109.02957	1.2
113.00552	1.1
113.02444	2.2
129.01962	11.1
134.69865	1.3
135.04539	2.2
137.02448	2.2
147.03003	9.7
151.04022	1.8
154.66876	1.5
161.04547	3.0
163.04065	1.9
165.12859	2.4
170.02322	1.3
175.86902	1.2
177.05606	3.6
183.13945	8.5
207.10266	7.7
209.11833	4.0
227.12946	13.4
231.31557	1.2
251.09204	4.2
284.03375	4.6
285.20657	3.8
297.03992	1.6
299.05536	4.6
327.25360	10.5
339.25494	1.8
357.06238	3.9
357.12988	3.7
357.26492	48.3
358.26810	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	357.2651
Annotation	16,17,18,20-Tetrahydroxy-10,11,14,15-tetrahydronerylgeraniol
Peak:m/z	Relative Intensity
59.01386	100.0
59.11169	1.7
69.37589	6.7
69.38012	5.6
77.25495	1.5
78.61543	1.6
98.19942	3.2
107.15446	1.7
113.60368	1.6
121.02983	3.6
141.86774	1.6
220.76472	1.6
297.21057	2.4
297.24377	32.5
298.24655	3.9
315.25381	3.8
357.05875	2.0
357.26508	22.8
358.26636	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	358.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.5
65.92227	0.5
71.01394	1.8
71.31424	0.7
71.31759	0.7
71.47713	0.5
72.99316	1.5
78.68145	0.4
85.02956	1.4
97.35931	0.6
97.41909	0.5
101.02450	1.3
108.08207	100.0
109.02983	1.5
109.08521	4.8
112.87845	0.5
113.02477	2.3
117.05871	0.6
119.03765	0.5
120.08212	2.8
121.02955	1.7
123.04607	0.8
124.04086	0.6
132.08189	1.7
133.02971	2.4
135.04553	1.7
136.01678	7.6
137.01994	3.5
148.07687	1.9
151.04025	8.6
151.07623	0.8
152.04517	6.5
152.07184	78.3
153.04521	0.6
153.07503	3.8
159.04587	0.7
160.05330	1.2
161.02475	8.1
161.06073	0.9
163.04041	0.9
164.07201	0.9
166.08757	16.6
175.04045	1.6
175.07715	0.6
176.04889	0.7
176.07129	1.2
177.05540	0.8
179.03520	1.9
184.23323	0.5
188.04814	0.5
189.05630	1.0
190.06348	1.4
191.07211	1.3
194.08224	9.4
195.06641	1.5
195.08449	0.5
196.06145	51.2
197.04556	1.7
197.06531	3.9
205.08733	0.9
208.07396	0.7
238.07198	8.6
239.07713	0.9
241.05127	1.2
251.97871	0.6
280.08307	0.5
298.09256	4.2
299.09525	1.2
312.10556	0.5
313.11029	0.6
329.14001	3.3
340.11856	0.5
344.12625	2.2
358.06793	0.9
358.10864	6.1
359.15189	7.2
359.20511	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.6
60.72971	0.8
61.61662	1.1
65.00337	0.9
68.99825	3.5
69.29835	8.2
69.63447	0.9
70.40234	1.0
71.55560	0.9
76.99054	0.9
92.24416	0.9
95.05017	1.0
99.00896	6.3
99.01440	1.3
117.03484	4.5
119.05038	10.0
121.02957	8.4
135.04503	1.0
143.05090	1.2
145.02986	1.3
147.04544	1.0
158.03748	7.3
163.04025	2.3
165.05452	1.2
168.78938	0.9
185.02438	12.2
186.03239	78.0
187.03653	7.3
192.95859	2.8
201.05597	54.5
202.05972	4.7
207.10283	1.4
209.04613	1.4
213.01877	1.0
229.12329	1.2
233.08199	20.2
234.08490	1.5
245.04514	5.1
246.05032	1.2
259.02350	1.2
273.04114	1.3
288.06299	1.2
297.04196	1.4
298.04672	1.4
299.05356	1.3
310.08499	3.1
325.10745	12.3
326.11215	3.4
327.05359	1.6
342.11215	2.9
357.06149	4.4
357.13458	100.0
357.26401	3.3
358.13818	14.1
371.27881	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.4
67.01902	1.9
71.21122	0.5
71.54555	0.6
76.17776	0.6
82.96799	0.5
83.01419	0.8
85.02968	0.9
91.05546	1.5
93.03475	1.0
104.22010	0.5
105.03472	19.7
106.03795	0.8
107.05029	0.8
109.03001	0.7
117.03479	5.2
119.05042	91.0
120.05377	5.2
121.02975	11.3
122.03301	0.5
134.03709	0.6
135.04538	7.1
136.04810	0.5
145.02954	0.9
148.04391	0.7
149.02452	11.7
151.04021	1.2
154.51314	0.5
157.06618	1.0
161.02460	12.6
163.04060	2.0
167.03517	7.8
169.06474	0.5
175.03976	1.5
175.07623	0.7
178.07828	0.6
179.03583	1.7
181.06621	0.9
192.95847	1.0
193.08708	0.7
201.05580	1.0
207.10323	1.7
219.06677	2.5
225.05728	1.0
225.09232	0.6
227.07127	0.9
237.07718	22.6
238.08063	2.0
239.07262	1.1
255.08711	4.4
269.08221	4.7
281.08231	14.5
282.08582	1.2
297.04056	1.0
298.04614	0.9
313.07187	0.7
321.11472	1.2
339.12494	2.5
357.06226	6.2
357.13452	100.0
357.26459	1.7
358.13776	13.0
358.18030	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
63.83905	0.5
65.00014	1.0
65.00333	13.6
65.03974	0.8
68.99816	0.7
69.03468	2.0
81.97884	0.5
83.01412	3.1
91.05544	1.2
93.03460	4.6
95.01428	1.2
99.20652	0.6
107.05032	1.5
109.02979	1.4
113.02457	1.0
117.03453	0.7
119.05045	49.1
120.05377	2.8
121.02983	2.1
123.08186	1.2
126.79250	0.6
127.07670	4.1
135.04510	2.0
136.01675	0.8
137.02560	0.8
141.19414	0.6
143.05037	2.1
145.02966	2.8
149.06107	1.2
149.44164	0.6
151.04089	0.9
151.07678	10.5
152.07990	0.7
157.06578	0.9
161.02463	0.6
161.06104	3.4
163.00409	0.7
164.01038	0.7
169.08716	5.5
185.06117	2.7
187.04030	8.0
193.08720	7.6
197.61549	0.7
198.06851	1.7
205.12410	0.8
207.10371	0.7
211.09688	1.5
213.09126	0.7
220.82056	0.6
226.06198	0.8
234.39587	0.6
237.07692	41.4
238.07994	3.1
251.09196	3.1
255.10291	1.7
263.09222	1.4
313.14505	5.7
314.14572	0.8
357.13458	100.0
358.13788	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	357.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31859	1.1
82.30046	0.8
83.01409	1.4
86.99711	0.8
95.01410	0.9
96.02213	1.0
97.02958	1.2
108.31711	1.0
119.05070	1.4
137.02435	7.5
138.03233	4.2
139.04012	3.1
165.09232	18.6
170.02222	13.5
199.57886	0.8
207.10280	100.0
208.10567	7.6
212.49896	1.1
313.14465	10.4
314.14737	1.6
357.06216	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55939	0.6
59.01379	1.1
65.00344	1.8
69.20576	5.6
71.05026	1.6
87.04517	1.6
91.01905	24.5
92.02264	0.9
98.20681	1.1
100.40437	0.6
106.76070	0.5
109.02979	1.8
119.05064	5.0
121.02951	3.8
133.06621	100.0
134.03787	1.1
134.06970	5.3
135.00908	46.4
136.01208	2.0
137.02457	0.8
145.06635	4.9
149.02467	0.9
153.01967	18.2
164.15038	0.7
167.03534	1.4
169.08672	0.6
181.06639	1.2
185.09740	12.0
186.09996	0.9
189.09245	1.7
201.02184	0.6
203.10799	25.5
204.11079	1.6
207.10220	0.7
219.10294	0.9
221.11848	34.4
222.12207	2.8
225.05533	0.8
237.07787	2.8
269.08194	5.5
270.08533	0.7
285.20667	2.0
313.15042	0.7
339.12567	2.7
357.13452	93.2
357.26227	5.1
358.13852	12.5
369.65451	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.6
60.72971	0.8
61.61662	1.1
65.00337	0.9
68.99825	3.5
69.29835	8.2
69.63447	0.9
70.40234	1.0
71.55560	0.9
76.99054	0.9
92.24416	0.9
95.05017	1.0
99.00896	6.3
99.01440	1.3
117.03484	4.5
119.05038	10.0
121.02957	8.4
135.04503	1.0
143.05090	1.2
145.02986	1.3
147.04544	1.0
158.03748	7.3
163.04025	2.3
165.05452	1.2
168.78938	0.9
185.02438	12.2
186.03239	78.0
187.03653	7.3
192.95859	2.8
201.05597	54.5
202.05972	4.7
207.10283	1.4
209.04613	1.4
213.01877	1.0
229.12329	1.2
233.08199	20.2
234.08490	1.5
245.04514	5.1
246.05032	1.2
259.02350	1.2
273.04114	1.3
288.06299	1.2
297.04196	1.4
298.04672	1.4
299.05356	1.3
310.08499	3.1
325.10745	12.3
326.11215	3.4
327.05359	1.6
342.11215	2.9
357.06149	4.4
357.13458	100.0
357.26401	3.3
358.13818	14.1
371.27881	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80227	0.2
63.93270	0.2
69.03472	0.4
70.19312	0.8
71.01403	0.3
84.02190	0.6
85.02959	0.7
93.03473	1.8
95.01392	0.4
98.20594	0.3
108.02206	2.0
109.02966	0.7
121.02976	8.1
122.03790	3.6
124.01694	0.5
133.02992	0.7
134.03746	0.8
135.04515	0.6
136.01682	80.3
137.02130	3.3
138.03197	0.2
147.04575	0.3
149.06168	0.5
151.04027	100.0
152.04370	4.9
159.04565	0.9
160.05309	1.3
161.02438	0.6
161.06139	0.2
162.03268	1.5
163.04070	1.2
175.04039	0.9
175.07703	1.4
176.04779	0.6
177.05605	1.1
179.03482	0.5
187.04042	0.6
188.04860	0.5
189.05573	0.8
195.10350	0.3
197.28250	0.2
203.07152	0.3
241.05203	0.3
256.07675	0.3
285.04056	0.5
297.04016	0.7
298.04813	0.5
311.05545	0.3
311.12994	0.8
342.11118	4.1
343.11368	0.5
357.06793	2.1
357.13467	18.2
358.13739	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	357.1196
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
51.49263	0.5
59.01385	18.6
69.81770	2.3
71.01395	1.9
73.02978	0.6
73.24548	0.5
75.00883	1.6
85.02962	1.7
96.60590	0.5
97.58775	0.5
101.02441	0.7
102.04815	0.5
108.02174	1.2
113.02490	0.7
119.05028	2.9
121.02973	2.0
123.04541	2.5
124.01679	1.9
125.02474	1.0
134.03778	1.1
135.04541	9.9
136.05324	12.6
137.05685	0.6
150.03200	0.6
150.06868	1.0
151.03981	2.8
151.07672	3.9
164.08426	0.7
176.08423	1.0
177.05573	1.1
177.09244	0.7
194.09500	0.8
195.06648	100.0
196.06969	6.2
211.38196	0.5
237.06152	0.8
357.12070	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	357.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39241	0.2
59.01369	0.3
66.38242	0.2
68.99839	0.2
69.03463	0.5
69.30983	1.6
71.01389	0.3
72.45248	0.2
78.77071	0.2
83.01421	0.2
84.02188	0.3
85.02957	0.6
93.03478	1.7
95.01413	0.3
97.03014	0.2
107.01376	0.2
108.02200	2.3
108.08208	3.5
109.02962	0.9
110.65439	0.2
121.02972	8.6
122.03775	3.4
123.00906	0.4
124.01688	0.5
125.02515	0.3
130.30344	0.2
133.02946	0.9
134.03793	1.1
135.04539	0.5
136.01675	79.1
137.02287	2.9
143.05078	0.2
145.06699	0.2
147.04500	0.2
149.06059	0.4
149.35309	0.2
150.06433	0.2
151.04022	100.0
152.04379	5.1
152.07162	3.2
153.01912	0.3
154.02740	0.3
154.22316	0.2
159.04544	0.7
160.05293	1.3
161.02415	0.9
161.06070	0.2
162.03256	1.2
163.04042	1.5
164.04674	0.2
166.08734	0.4
169.12297	0.2
175.04030	0.7
175.07648	1.5
176.04778	0.7
177.05600	0.8
179.03488	0.7
187.04045	0.7
188.04759	0.5
189.05632	0.8
190.06180	0.2
194.08264	0.4
195.06683	0.3
196.06180	2.3
197.06155	0.2
203.07083	0.3
238.07291	0.5
241.05035	0.3
245.12346	0.2
256.07361	0.3
267.06644	0.2
277.31998	0.2
285.04102	2.3
296.10715	0.3
297.04156	0.4
298.04788	0.3
299.05484	0.2
311.12964	0.8
312.13330	0.2
313.03552	0.6
327.12479	0.2
342.11108	4.2
343.11435	0.4
356.68936	0.2
357.06180	0.7
357.13449	17.8
358.13968	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	357.1196
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
53.03323	0.4
59.01389	1.1
65.00345	0.5
69.31506	3.8
71.01375	0.6
72.75772	0.5
81.03446	3.6
85.02962	1.5
85.06601	0.6
87.04522	0.6
91.00722	0.4
93.03464	1.5
95.01390	0.6
98.20657	1.0
108.02193	2.0
108.08211	17.4
109.02988	1.0
109.06613	2.0
111.04542	3.2
113.02422	0.5
120.08214	0.6
121.02972	8.9
122.03765	4.1
123.00890	0.7
124.01691	0.6
125.02463	3.1
129.01881	0.6
133.02953	0.6
133.06555	0.7
134.03714	1.6
135.04587	0.8
136.01678	79.6
137.02318	3.8
148.07727	0.6
149.06134	0.6
151.04030	100.0
151.07645	16.9
152.04401	4.0
152.07178	14.2
159.04562	0.8
160.05315	0.9
161.02451	1.0
161.05797	0.4
162.03203	1.8
163.03999	1.4
166.08727	3.0
175.07642	1.9
177.05597	1.7
179.03476	0.7
181.20360	0.5
187.04047	0.7
189.05577	1.0
191.07170	0.6
194.08240	1.9
195.06645	71.3
196.05989	8.6
197.71713	0.6
203.07117	0.9
219.06569	0.6
224.04816	0.5
237.07716	0.8
238.07268	2.0
239.93604	0.5
241.05138	0.5
285.03995	1.3
297.04169	2.1
298.04901	1.1
298.09375	0.8
311.12973	0.6
339.05182	0.6
342.11115	4.7
357.06592	4.1
357.13464	17.9
358.06857	0.6
358.14444	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	357.1196
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
57.03452	0.6
58.03542	0.2
59.01387	0.8
63.02398	0.2
65.00340	0.8
68.72960	0.2
69.24439	0.3
69.24843	1.4
75.98047	0.2
81.03465	3.8
83.01396	0.9
85.02960	0.4
85.06606	1.0
87.04529	0.9
88.76778	0.2
97.06676	0.2
107.01376	0.6
107.05049	0.3
109.06593	2.8
111.04532	4.7
113.02489	0.2
123.04527	0.2
125.02460	4.2
127.07664	0.6
130.08759	0.3
133.06599	1.0
135.04596	0.3
136.05328	0.8
139.03966	0.2
149.02469	0.5
149.06139	0.2
151.00356	0.9
151.07663	25.2
152.01138	0.2
152.08023	1.4
153.05583	0.5
153.75993	0.2
177.05620	2.0
191.07153	0.4
195.06641	100.0
196.06989	6.0
219.06670	0.7
237.07613	1.0
238.08351	0.2
278.37375	0.2
297.04141	0.4
298.04599	0.3
329.74271	0.2
342.11197	0.2
357.06088	0.8
357.12079	0.7
357.20990	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0619
Annotation	(+)-12-Dihydrousararotenoid A
Peak:m/z	Relative Intensity
57.03446	0.2
59.01381	0.2
59.29184	0.1
61.04834	0.1
63.02394	0.4
65.00327	1.1
67.01893	0.3
69.03466	0.1
71.54758	0.1
72.99296	0.1
77.03966	0.7
79.01894	0.7
81.03466	0.1
83.01375	0.5
85.02945	0.3
89.03979	0.4
91.01899	0.3
93.03471	0.7
95.01384	0.6
95.05014	0.1
97.02952	0.7
105.03428	0.5
107.01395	1.1
107.05047	0.3
108.02180	0.3
109.02959	3.2
110.03304	0.1
111.00916	0.1
117.03451	0.6
119.01405	0.4
119.05016	0.5
121.02971	1.5
123.00860	0.3
123.04516	0.2
125.01653	0.1
125.02442	0.6
131.01443	0.2
131.04976	0.3
132.02184	0.8
133.02966	22.2
134.03835	2.0
135.00912	1.2
135.04559	1.3
136.01678	0.8
137.02475	1.0
143.05057	0.1
145.02946	0.5
145.06706	0.1
146.03775	0.2
147.00850	0.2
147.04544	0.6
148.01639	0.3
149.02434	1.3
151.00381	1.7
151.04018	1.2
155.03589	0.2
155.05017	0.2
157.02895	0.2
159.04498	0.3
160.01637	0.1
161.02454	5.3
162.02928	0.4
163.00381	7.3
163.04007	1.2
164.01122	0.7
165.01926	1.6
169.06593	0.2
171.04469	0.3
172.05280	0.2
173.02457	0.4
173.06047	0.2
174.03212	0.4
175.04016	4.7
176.01151	0.2
176.04346	0.2
177.00508	0.2
177.01961	2.4
177.03526	0.1
177.05504	0.1
178.02306	0.1
179.03510	1.1
183.04446	0.5
184.05244	0.1
185.02438	0.5
185.06088	0.3
187.00394	0.1
187.04071	0.5
188.01125	0.3
189.01869	0.3
189.05556	0.2
189.99081	0.3
191.03549	0.3
193.01471	0.2
193.05061	0.1
195.04524	0.2
195.08250	0.1
196.05368	0.2
197.06087	0.7
198.03209	0.4
199.04036	2.2
199.07639	0.1
200.04636	0.2
201.01933	2.4
201.05550	0.4
202.02489	0.3
203.03508	1.8
205.01396	0.6
209.06097	0.4
211.04034	1.1
211.07545	0.2
212.04701	0.3
213.01978	0.1
213.05563	0.9
214.02740	0.2
214.06233	0.3
215.03508	0.3
217.05098	0.3
221.04437	0.5
223.02365	0.3
223.04201	0.2
224.04840	0.7
225.02060	0.1
225.05602	2.7
226.02699	0.4
226.06110	0.4
227.03531	2.1
227.06993	0.1
228.04085	0.1
229.01483	0.9
229.04987	0.6
230.01830	0.1
231.06636	0.1
235.04034	0.2
236.04686	0.1
237.05533	0.2
239.03537	0.3
239.07138	0.2
240.04335	0.6
241.05096	2.1
242.02095	0.2
242.05637	0.3
243.03029	0.5
243.06581	0.2
244.03474	0.1
249.05672	0.2
251.03487	1.1
252.04218	0.5
253.05075	2.8
254.02318	0.1
254.05598	0.3
255.03021	2.3
255.06613	0.3
256.03497	0.6
257.04477	0.1
261.73364	0.1
265.05023	0.2
266.05615	0.1
267.03317	0.2
267.06613	1.0
268.03540	0.2
269.04584	3.6
270.05258	0.9
271.05933	0.2
279.02921	0.4
280.03711	0.2
281.04532	0.2
282.01816	0.2
282.05255	0.1
283.02591	0.1
283.06137	0.3
284.03284	4.5
284.06442	0.2
285.04062	19.9
286.04416	1.9
293.04501	0.3
295.02579	0.2
295.06076	0.2
296.03210	0.2
297.04059	45.3
298.04770	25.1
299.05530	9.4
300.05939	0.9
309.03952	0.5
310.04727	0.3
311.05627	11.3
312.05963	1.3
321.04187	0.2
322.04053	0.1
324.02731	2.1
325.03076	0.3
327.05084	3.3
328.05515	0.4
330.03781	0.3
337.03720	0.1
339.05109	10.1
340.05469	1.2
355.04617	0.3
356.05106	0.1
357.06171	100.0
358.06500	12.1
370.29602	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	356.0992
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
55.68628	0.4
57.03455	0.7
59.01381	3.0
69.15993	4.3
71.01390	2.0
83.01389	0.5
85.02968	5.2
85.84773	0.4
86.03293	1.4
89.02477	0.5
95.01381	0.4
96.53025	0.4
106.06639	100.0
107.06989	4.3
108.08201	6.1
109.02967	0.4
113.02457	1.8
118.06657	0.8
120.08207	0.8
121.02931	0.4
123.04462	0.5
130.06610	0.9
130.08754	5.8
131.03769	1.4
133.02980	0.7
134.06175	0.7
136.07709	0.7
146.06119	0.7
150.05623	53.0
151.04022	0.6
151.06013	3.0
164.07178	10.7
166.58266	0.4
174.05591	1.1
179.10704	0.6
191.02043	0.5
192.06674	6.6
194.04611	25.9
195.04932	1.2
202.26587	0.4
209.03024	0.7
210.03453	1.0
216.55170	0.5
236.05661	4.6
266.06845	0.6
267.06738	0.4
280.37103	0.4
285.03784	0.4
296.07843	2.8
297.04208	1.1
304.49350	0.4
327.12326	1.2
349.88263	0.4
356.09927	6.3
356.20981	3.4
357.06113	2.5
357.10214	1.1
364.76468	0.4
378.87573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.4
58.49820	0.5
59.01384	40.1
60.01737	0.7
68.29707	0.6
69.32967	1.3
69.33366	4.3
83.05023	0.8
84.04559	2.3
85.02981	1.7
85.77494	0.5
86.02470	0.6
86.03315	0.6
91.72523	0.5
94.90641	0.5
97.06597	1.8
97.37312	0.5
111.08158	0.9
133.02954	0.9
137.02470	1.0
151.04004	1.2
165.09274	1.0
165.12848	4.2
170.02193	1.2
181.15979	4.5
207.10271	5.7
208.17078	100.0
209.11914	1.1
209.17435	10.5
227.12642	0.6
252.16072	40.2
253.16397	4.3
278.14120	0.8
296.15002	3.3
299.18216	0.6
313.14557	1.0
320.62164	0.7
356.12872	1.0
356.17233	2.8
356.25186	0.8
357.06110	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91850	0.5
57.03436	1.4
59.01374	2.2
60.40668	0.6
61.67553	0.6
63.02396	1.2
65.00330	4.0
65.16528	0.6
69.38368	4.3
70.63657	0.6
71.01383	1.3
81.03458	3.1
83.01382	5.9
85.02951	2.0
92.11033	0.6
93.03475	0.8
105.03459	1.4
107.01399	7.6
107.06100	0.7
109.02959	0.9
109.06584	2.6
111.04501	2.0
121.02957	5.5
122.03741	2.4
125.02458	12.7
131.01398	1.5
131.05011	0.7
132.02206	0.7
133.02974	23.9
134.03352	1.1
136.01674	35.2
137.02124	0.9
149.02448	3.2
151.00397	12.5
151.04027	47.1
151.07654	18.5
152.04329	2.3
152.08011	0.7
159.00871	0.9
161.02431	7.6
162.03119	0.8
162.63356	0.6
163.04033	1.3
171.04543	1.0
174.88979	0.6
175.04047	5.4
177.01894	1.2
177.05550	1.0
187.00375	6.4
189.01990	1.1
195.06641	57.0
196.06975	3.0
197.06052	0.7
199.04037	4.4
201.01971	1.8
205.01500	1.1
213.05560	1.3
217.01418	1.1
217.05042	2.9
232.09668	0.8
236.62675	0.6
241.05032	1.3
243.03171	1.3
267.03119	0.8
285.04068	100.0
286.04407	8.6
295.02466	1.3
297.03979	1.6
311.05621	0.8
313.03543	25.0
314.03864	3.1
342.11081	2.3
346.76248	0.7
357.02655	3.5
357.06464	3.9
357.13419	9.0
358.02957	0.8
358.13919	1.1
359.82281	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11119	0.8
57.03445	2.0
59.01378	2.3
65.00330	3.9
71.01385	1.2
71.08414	2.4
71.45065	1.0
85.02967	10.6
91.01868	0.9
93.03460	1.6
108.02175	1.6
109.02990	1.8
109.06574	1.5
119.05043	18.4
120.05387	1.2
121.02968	3.3
122.03747	2.7
133.06601	10.2
134.03729	1.5
135.04544	45.8
136.04893	3.2
149.02464	1.2
150.03255	6.0
151.07718	2.1
161.02478	7.1
163.04027	4.8
163.07704	6.3
175.04028	24.9
175.07655	4.4
179.84766	1.2
183.01176	7.1
189.05487	2.5
190.06371	1.9
191.02026	2.8
193.08809	3.1
203.07158	4.2
204.07976	2.8
209.03114	6.5
215.07196	1.3
217.08656	5.9
219.06645	33.9
220.06953	3.5
235.06007	1.2
245.36343	1.1
251.07083	1.1
273.00421	0.9
281.08218	2.4
283.09741	1.1
293.15210	1.1
295.09796	2.5
302.12866	0.9
307.13440	1.7
325.14474	47.5
326.14886	7.5
337.10837	1.5
337.14413	8.2
338.14731	1.6
355.11725	11.7
355.15591	100.0
355.19473	11.1
356.11975	1.2
356.15933	13.4
356.19839	1.3
378.22961	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2283
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
52.17443	1.3
57.03456	2.0
59.01399	2.3
64.05045	1.4
69.48352	3.4
69.48768	7.4
77.77333	1.2
85.02967	7.7
101.06078	1.9
109.03001	1.7
111.00846	1.4
122.03747	11.0
135.04532	30.0
136.01712	2.2
147.08215	1.9
149.06149	2.3
149.09758	8.2
151.07635	3.0
154.02737	2.1
161.09769	10.6
163.07678	3.4
163.11313	50.8
164.08446	16.9
164.11600	3.6
165.09215	10.6
177.09239	73.3
178.09999	23.0
179.10797	80.1
180.11116	5.2
183.10286	2.1
187.11365	2.1
191.02078	2.3
191.10805	13.4
192.11172	1.6
193.08705	9.3
209.03043	2.2
235.66937	1.6
280.14725	4.0
298.15775	58.2
299.16092	7.0
309.22449	2.5
312.13980	1.8
316.78278	1.3
321.18832	1.7
337.21786	49.4
338.22003	8.6
340.16177	2.8
340.20447	87.5
341.20789	15.0
355.22845	100.0
356.23270	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	355.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63682	0.6
57.98259	0.6
58.07830	0.6
61.42608	0.6
62.90656	0.5
71.01389	0.8
71.30520	1.3
77.57675	0.6
85.02950	1.9
85.54042	0.6
93.03471	6.3
108.87746	0.7
109.02953	2.1
119.05020	2.2
121.02956	1.3
133.06615	1.8
134.06911	1.1
137.02457	10.5
148.01706	0.7
149.01291	1.1
149.02454	16.6
151.04007	2.6
163.04010	2.3
165.01929	2.7
173.06073	0.8
177.01950	12.2
177.05585	2.3
179.03546	6.8
181.27179	0.6
191.03531	36.4
191.07156	4.2
192.03941	1.9
192.07951	8.5
202.06360	0.9
203.07162	1.2
205.05090	1.2
209.03024	0.9
215.07158	1.2
216.07994	1.1
217.08662	2.1
219.06653	5.2
220.07428	31.5
221.07808	2.5
233.08226	7.9
234.09000	100.0
235.09308	7.8
247.09735	1.7
249.11353	92.7
250.11697	9.2
261.11279	1.5
297.07825	1.0
323.12720	1.1
340.13202	15.2
341.13474	1.8
355.11771	5.5
355.15591	32.5
355.19281	1.9
356.12436	1.2
356.15891	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1554
Annotation	Juglanin A
Peak:m/z	Relative Intensity
57.03447	1.2
60.80163	0.4
61.63828	0.4
65.00324	1.2
71.01995	0.5
72.17417	0.4
72.45495	0.4
81.03488	2.6
83.01387	1.1
85.02959	1.5
93.03470	0.6
93.30904	0.4
95.01416	1.0
107.05002	0.7
107.08677	0.4
109.06609	2.0
111.08151	0.4
119.05064	5.0
121.02962	1.2
122.03720	1.1
124.01649	4.0
125.09705	1.4
131.08682	0.5
133.06618	3.3
133.31172	0.5
135.04532	0.5
137.02496	0.9
145.02994	0.4
147.08141	0.9
149.02457	1.4
149.09724	4.0
150.03235	1.6
151.00375	1.1
151.07648	1.1
152.01135	4.4
161.06100	0.6
163.04041	0.9
165.01933	0.8
166.02727	3.8
170.16879	0.5
171.04550	0.6
175.00316	0.5
175.07654	1.5
176.01076	0.6
177.01964	3.1
177.09344	0.6
178.02719	2.3
179.03497	2.6
185.06096	0.8
186.06870	0.7
187.03990	1.0
188.04781	2.4
189.09233	0.9
191.01782	0.8
191.03519	13.0
192.03871	0.9
193.08685	7.9
194.09082	0.8
199.07686	0.9
201.09203	1.3
203.07201	2.4
209.03055	1.0
210.34319	0.4
215.10719	0.7
219.06607	4.1
220.07243	0.9
227.07152	0.6
233.08255	1.6
234.08929	2.6
243.10269	5.2
244.10536	0.8
254.12888	0.6
266.18777	0.4
269.15384	0.7
285.07928	0.8
295.13544	0.4
297.07779	3.0
299.09210	0.6
309.15118	0.6
311.16550	13.0
312.16940	1.7
337.14432	1.6
355.15527	100.0
356.15851	15.0
356.20255	0.6
371.21890	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11684	0.4
54.50214	0.4
57.03455	1.1
59.01372	1.0
69.09423	0.4
70.85760	1.2
74.49908	0.5
76.99536	0.5
85.02954	5.6
91.05534	1.7
93.03502	0.6
105.05355	0.5
117.03498	1.1
119.05039	32.2
120.05374	1.5
121.02975	8.9
123.00858	0.6
123.04540	2.6
123.08172	0.8
133.02960	0.7
135.04517	1.4
137.02426	1.0
145.03038	0.6
149.02490	1.2
150.03200	1.1
161.02455	8.2
162.03131	0.9
163.04019	1.2
170.10141	0.5
171.10216	0.7
175.04021	2.8
176.04767	1.9
177.09204	1.9
181.08690	1.6
183.01215	3.0
187.04030	0.6
191.01994	1.7
194.09534	1.1
195.10229	1.1
203.07153	0.8
205.05116	1.7
208.03772	2.4
209.03062	1.9
221.08208	5.8
222.08594	0.5
223.07773	0.6
233.08206	4.8
234.09015	3.0
235.05960	0.6
238.10016	0.7
239.07135	1.0
239.09364	1.2
253.05112	1.0
255.10298	0.7
266.07968	6.8
267.06619	2.3
269.08234	0.8
281.05081	0.6
281.08194	12.9
282.08817	1.7
286.01126	0.7
297.11258	0.6
311.16647	0.6
313.14529	1.5
323.12927	1.1
325.10660	0.8
337.14526	1.1
339.12277	0.8
340.13071	4.3
347.86877	0.6
355.11993	3.8
355.15540	100.0
355.19238	4.8
356.11771	1.2
356.15869	13.4
356.19696	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66488	0.4
56.13182	0.4
56.30461	0.4
57.03447	1.5
59.01387	1.3
63.33449	0.4
63.83076	0.4
65.00321	0.9
68.99812	0.9
69.19105	1.5
69.19527	3.0
71.01380	1.1
72.95556	0.4
75.17375	0.5
85.02961	7.2
85.06611	1.3
91.01906	8.8
93.03472	1.2
93.89643	0.4
98.24956	0.5
99.00979	0.5
102.03367	0.4
102.05646	0.9
109.02984	1.1
117.03504	0.5
119.01406	3.9
119.05044	100.0
120.05380	5.7
128.03532	1.5
133.03000	0.8
135.00899	8.8
137.02457	9.2
138.02751	0.6
145.02969	2.7
147.02972	0.7
149.04579	0.8
150.50206	0.4
153.01935	1.6
153.12935	0.6
163.00394	32.7
164.00722	1.5
169.06633	1.4
173.06154	0.6
176.01189	0.7
177.01918	0.9
179.10796	1.8
179.81789	0.4
181.01434	0.6
191.01935	1.1
209.03043	2.8
209.06070	0.9
211.07713	1.0
213.05574	0.8
217.05042	1.0
227.13007	0.4
233.58658	0.4
237.05586	1.6
239.07155	2.2
249.14130	0.5
255.06670	1.4
257.08252	0.5
279.04028	0.4
279.06625	2.7
280.07083	0.5
281.04617	4.7
283.06155	62.8
284.06516	6.5
293.37274	0.4
294.05350	1.1
295.05969	0.5
311.25989	1.6
319.09766	0.9
337.10873	3.8
338.11417	0.8
355.11896	53.0
355.24579	3.1
356.12265	7.2
356.17175	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	13.7
59.01366	1.4
63.02397	2.8
65.00345	6.6
70.71543	4.2
75.73370	1.3
83.01379	1.9
85.02969	9.3
88.73885	1.2
90.47356	1.3
93.03456	4.9
107.05045	3.1
108.02203	1.6
109.02944	2.5
109.06627	8.1
111.00887	1.9
119.05042	7.0
121.02986	2.4
123.04576	2.7
124.01676	26.4
125.02466	1.8
125.09724	15.5
130.04269	2.0
131.05043	2.7
133.02977	5.0
133.06598	10.8
135.03607	2.5
135.04535	17.6
137.02478	1.5
149.02443	2.6
149.06110	1.7
149.09735	10.6
150.03236	3.0
151.00380	2.6
151.07660	15.6
152.01198	6.1
157.06622	3.2
159.04427	1.9
161.09735	2.3
163.00392	1.6
163.04004	2.6
163.07651	1.6
164.04799	3.0
165.01935	5.7
173.06096	2.8
175.04028	5.2
175.07603	4.1
176.01115	2.5
177.01955	18.3
177.05544	16.6
177.09300	2.0
178.02588	1.8
178.99852	3.1
191.01950	2.1
191.03487	1.5
193.08714	80.8
194.09070	7.1
201.05661	7.2
203.03474	2.6
205.05153	2.1
205.08699	37.1
206.09065	2.2
209.03061	3.2
214.06453	1.9
219.06630	17.7
220.07170	3.2
221.08253	2.5
230.05902	1.5
242.05896	2.4
247.06068	7.3
250.57584	1.5
267.13837	1.8
269.09192	1.8
269.11893	5.5
283.13470	4.0
309.11389	2.2
311.12924	31.3
312.13293	1.7
327.12387	100.0
328.12906	12.1
329.82846	1.6
337.10861	4.1
353.17578	1.5
355.11899	95.7
356.12186	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	355.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96511	0.8
57.03454	1.5
57.14372	0.8
57.60813	0.7
58.76851	0.7
59.01385	2.2
63.02399	1.8
65.00333	2.9
71.01380	1.1
71.54674	1.2
82.14952	0.8
83.01380	1.7
85.02973	12.3
88.57110	0.9
88.98814	1.5
90.97147	2.9
91.01374	1.2
91.01904	8.6
93.03447	1.7
107.01392	3.9
109.02961	2.5
118.16267	0.8
119.01387	1.0
119.05042	68.0
120.05380	2.8
132.05794	0.8
132.98233	4.6
133.02917	1.3
133.06613	8.8
135.00902	21.6
135.04341	0.7
136.01270	0.9
137.02495	1.3
143.05029	4.9
145.03000	1.0
147.04541	22.8
148.04863	1.4
149.02443	0.9
149.06027	1.1
151.00389	7.7
151.97476	1.1
152.27570	0.8
153.01933	6.2
161.06111	7.6
163.00395	37.0
164.00763	1.7
173.09755	3.6
177.01967	6.0
185.09738	4.7
185.74844	0.8
191.01994	2.1
203.10857	2.4
209.03049	5.1
217.05064	0.9
235.06136	1.3
237.05736	1.2
255.09178	3.0
257.10730	6.0
279.06686	6.6
283.06097	27.5
283.08752	19.0
284.06485	3.1
284.09167	1.5
297.07660	4.2
301.09637	1.0
313.10382	1.1
327.07657	2.6
337.10779	1.5
355.11905	100.0
355.24930	3.3
356.12225	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	355.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68781	0.5
65.00334	4.6
68.99819	0.9
70.29107	1.5
77.03986	0.7
79.01897	3.4
83.01399	2.1
85.02966	0.9
85.57734	0.6
93.03461	3.9
95.05029	1.3
97.02953	0.8
97.06578	0.6
98.46111	0.5
106.23112	0.7
107.01403	2.6
107.05032	1.5
108.02206	1.2
109.02900	0.7
110.03764	1.4
119.05043	44.5
120.05368	2.1
121.02976	4.4
123.00894	3.2
123.08168	0.8
124.01618	0.6
125.06104	10.3
125.06938	1.1
131.05066	1.0
135.00879	2.7
135.04547	0.9
136.01678	8.0
137.02457	0.9
143.05026	1.8
145.02948	1.6
147.04532	0.8
147.08144	0.8
149.06093	6.1
150.03256	0.8
151.00455	0.7
152.01103	1.1
152.21298	0.5
156.05734	0.6
161.06065	2.2
163.00389	6.8
164.01160	4.1
165.01941	7.5
167.07152	3.7
173.06097	2.3
178.02684	0.7
179.03529	1.4
185.06088	2.1
187.04028	4.3
191.03554	1.4
191.07204	1.7
193.04997	1.3
199.07600	1.0
203.07199	1.7
209.08162	1.0
210.01663	1.1
217.05103	6.3
218.05380	0.8
231.06648	1.1
235.06142	20.2
236.06459	1.3
241.08714	2.7
281.38242	0.6
283.06174	2.9
284.06894	1.6
285.07797	1.3
311.13062	1.4
337.10852	3.8
347.78793	0.6
355.11887	100.0
356.12228	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	355.1191
Annotation	Kalmiatin
Peak:m/z	Relative Intensity
57.03456	1.7
59.01392	1.5
65.00337	12.3
71.01388	1.4
71.54176	1.5
81.23923	0.9
85.02968	11.3
102.74299	0.9
105.08377	1.2
117.03452	1.2
117.07124	2.0
119.05049	18.3
120.05381	1.5
121.02998	1.8
123.04545	1.9
130.04372	0.8
133.06612	15.7
134.06950	1.6
135.04533	3.8
136.05304	2.1
137.02492	1.0
143.05064	1.5
147.03078	1.2
149.06097	1.9
150.03203	3.1
156.05841	2.3
158.03732	2.0
159.04578	1.2
163.04028	3.1
164.04822	6.6
173.06235	1.4
183.01212	2.2
183.04532	4.1
184.05081	1.6
185.02313	1.1
186.03262	6.7
191.01939	1.9
197.06070	1.4
199.07686	4.8
201.05592	8.5
203.07146	2.6
209.03050	4.7
209.09584	1.0
223.11214	1.8
224.12115	4.2
227.03545	4.0
228.04324	3.0
237.09160	2.1
241.05042	2.1
243.13887	1.3
249.11412	1.5
251.10829	2.6
252.11481	1.4
253.05106	4.4
281.08173	1.3
285.11331	7.4
295.09784	3.8
296.10522	5.3
311.12897	7.0
312.13397	1.2
337.10880	1.2
337.14444	5.3
338.14529	1.0
340.09668	1.5
355.11862	100.0
355.15643	16.4
355.19260	3.7
356.12238	15.0
356.16046	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71875	0.5
57.03455	0.8
63.02407	1.5
65.00327	13.1
68.99841	0.5
69.52740	2.8
75.99562	0.4
80.58904	0.4
83.01378	0.5
85.02957	4.0
107.01402	2.1
107.05058	1.4
109.02969	2.1
109.06606	1.6
111.28176	0.4
117.03455	0.8
119.05041	2.4
124.01665	0.9
125.02354	0.5
125.09720	0.5
133.06622	15.3
134.03763	2.4
134.06902	0.7
135.04546	100.0
136.04878	4.6
148.05367	2.1
149.06087	1.5
149.99628	2.5
150.03178	0.5
151.00381	10.1
151.07658	2.6
152.00713	0.5
161.02432	1.2
161.11346	0.4
162.03255	0.5
162.84149	0.4
175.07663	6.8
176.01213	2.2
176.08003	0.6
177.02019	0.5
191.02077	0.8
191.07231	0.4
193.08693	3.5
203.10797	7.3
204.11070	0.6
209.03036	1.6
219.06636	71.5
220.06963	6.0
233.08197	0.7
237.07536	0.5
245.08141	0.5
293.83151	0.4
305.73129	0.4
317.80051	0.5
337.10916	0.9
355.07376	1.0
355.11877	20.5
356.12161	3.2
372.83591	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.119
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02401	0.8
65.00349	2.6
65.00640	0.4
69.63879	0.4
83.01392	1.9
85.02985	0.8
91.01903	12.9
98.19868	1.1
101.94746	0.6
107.01417	4.5
107.05030	1.1
108.02193	0.6
109.02989	1.1
117.03496	0.5
118.10571	0.5
119.05044	20.0
120.05354	1.3
133.05585	0.9
133.06613	19.0
135.00900	26.0
136.01250	1.1
137.42476	0.4
147.04543	36.6
148.01704	1.6
148.04906	1.7
149.02483	2.5
151.00383	11.3
153.01976	4.4
161.06093	5.9
164.01239	0.5
173.02385	0.8
173.09668	0.6
177.01993	1.1
185.09637	0.7
191.77455	0.5
201.09245	2.0
202.84824	0.5
203.10774	1.7
208.49863	0.6
211.00406	0.5
219.10399	0.8
233.33080	0.5
241.05057	1.7
279.06512	1.2
283.06158	15.5
284.06509	1.5
285.07666	2.6
297.07764	0.8
355.11911	100.0
356.12274	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	355.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
59.01382	1.1
63.23882	0.4
65.00333	0.9
69.63642	2.2
71.01375	0.7
79.99055	0.5
83.01397	0.5
83.43179	0.4
85.02961	5.6
91.01907	15.2
93.03470	1.3
96.78159	0.4
98.19909	0.8
102.43174	0.4
102.91549	0.4
107.05103	0.4
108.02158	0.8
109.02943	1.9
119.05042	27.0
120.05388	1.0
121.02932	1.0
125.02443	0.6
132.05804	0.4
133.06613	23.5
134.06926	1.4
135.00902	21.1
135.04588	0.6
143.05066	2.5
147.04527	5.2
148.01683	1.3
149.02419	1.6
149.06062	1.0
151.00372	0.5
151.39566	0.4
151.97523	1.1
153.01944	5.8
159.04584	0.6
161.02391	0.7
161.06104	16.1
162.06419	1.0
165.01907	0.5
173.06064	0.7
173.09760	0.9
180.00720	0.8
183.08121	0.5
186.03308	0.5
187.03937	0.9
189.09248	1.1
191.01985	1.4
191.07176	0.5
201.09232	1.7
209.03064	2.4
221.02122	0.5
223.07613	0.5
235.05948	2.2
237.05630	0.8
243.02931	0.5
255.06622	1.3
279.06635	3.0
283.06122	1.7
286.04752	0.7
313.10953	0.8
325.23880	1.1
337.10794	1.8
355.11887	100.0
355.24515	4.2
356.12274	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	355.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	6.3
69.82824	0.7
70.62345	2.1
83.01384	1.6
85.02961	2.3
88.87521	0.6
89.03973	1.5
91.01893	2.1
93.03463	2.7
95.05055	0.8
97.02983	0.7
108.02189	0.7
109.02995	5.9
109.50842	0.7
119.05047	73.2
120.05409	3.9
121.02945	1.3
121.06560	1.0
123.08182	1.8
125.06076	1.9
131.05000	0.8
133.02965	4.8
135.00926	0.9
135.04559	1.7
136.01663	1.0
137.06122	1.0
143.05077	1.9
145.02977	2.7
149.02432	2.4
149.06082	8.2
151.00366	0.8
161.06071	2.4
163.00417	3.8
163.04036	1.3
164.01111	0.9
165.02000	0.8
167.07164	2.8
173.06099	2.7
176.01118	1.3
177.01956	19.1
178.02254	1.0
185.06125	1.7
187.04027	5.6
189.05496	0.7
191.03561	1.9
191.07207	3.8
205.05005	0.8
209.08281	1.7
217.05066	2.7
219.06665	1.6
235.06146	29.5
236.06485	2.2
253.07104	1.3
283.06183	1.1
297.07663	3.5
311.12787	0.9
355.11908	100.0
356.12234	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	355.119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09162	0.7
58.22696	0.8
71.14379	0.9
71.14723	1.3
79.99049	30.0
105.07103	0.9
107.05018	0.9
111.98045	2.8
116.02649	1.1
117.03488	1.7
119.05046	20.2
123.98016	2.6
124.98825	1.9
125.06157	0.9
130.04280	1.0
131.05061	1.0
139.97565	1.0
140.98363	1.2
143.05072	2.9
145.02975	1.2
148.01692	0.8
151.97527	49.9
152.97928	1.7
153.05527	1.5
158.03723	3.0
159.04553	2.6
165.05556	1.0
171.04509	1.4
171.38106	0.7
175.03976	1.2
175.07648	1.2
177.05681	1.4
180.35242	0.8
185.02438	4.3
186.03242	25.2
187.03748	4.2
194.34830	1.0
199.03996	0.9
201.05588	14.0
205.05063	2.5
215.03505	2.4
216.04280	1.6
221.04599	1.7
235.06099	1.3
243.03009	12.9
244.03493	2.3
257.04373	0.9
258.05356	4.5
259.06131	1.4
271.02512	30.8
272.02893	2.3
286.04865	39.9
287.05188	3.3
297.07886	1.0
299.34802	1.0
312.10129	1.0
313.10562	1.3
325.10983	1.7
327.12421	4.5
340.09659	1.8
355.11884	100.0
356.12204	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	355.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
59.01366	0.7
63.02402	2.7
64.19610	0.4
65.00330	14.3
67.67119	0.5
69.45974	2.6
69.46388	1.0
83.01395	6.2
84.01719	0.5
85.02966	4.6
86.24827	0.5
98.19991	1.1
99.74377	0.4
107.01405	21.4
108.01704	0.6
108.99221	0.6
119.05045	9.5
119.05918	0.6
120.05372	0.5
121.02947	0.9
122.03712	0.8
125.02457	5.3
134.03731	0.8
135.04602	1.1
148.05328	24.8
149.05611	1.4
150.03198	0.9
151.00383	100.0
152.00735	3.7
160.05354	0.6
162.03239	5.2
163.03856	0.6
165.02011	0.7
165.84474	0.5
169.01414	1.4
177.01968	1.0
177.09177	1.2
180.04320	3.4
188.08389	0.9
191.01978	1.3
193.01299	0.5
199.91431	0.5
203.10796	81.6
204.11119	6.7
205.73402	0.5
209.03090	1.9
219.06512	0.5
229.08882	0.7
245.49835	0.4
250.15599	0.5
262.82877	0.6
334.26010	0.5
337.10898	1.1
355.11823	18.7
356.12189	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	355.1038
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
54.31800	0.6
57.03469	3.7
59.01114	0.9
59.01384	11.1
69.42162	0.8
69.42566	3.8
71.01392	6.6
72.99304	1.7
83.01430	0.6
84.02184	0.9
85.02959	25.6
86.03295	1.0
89.02438	4.0
101.02431	1.6
113.02465	1.9
119.03556	0.7
119.05032	1.1
129.02008	1.9
132.02187	14.8
133.01505	0.7
133.02512	0.7
134.03752	9.7
135.04095	0.6
137.02356	0.6
147.02995	1.7
147.04512	0.8
149.06079	2.4
160.01683	62.4
161.01999	5.1
163.04057	1.7
175.04025	100.0
176.04370	6.9
178.02785	1.1
182.61366	0.8
191.02005	5.8
191.07132	1.5
192.00714	1.2
193.01474	1.8
193.05084	16.9
194.05379	0.8
202.02763	0.9
209.03047	16.2
209.06575	1.4
210.03346	0.8
217.05019	5.9
235.06184	2.8
295.08206	1.8
355.06714	0.8
355.10385	5.6
368.51303	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03452	5.4
57.40517	0.6
59.01112	0.9
59.01385	11.4
71.01385	7.3
72.99300	1.3
75.00880	0.7
82.75726	0.5
83.01398	1.1
84.02190	1.0
85.02959	30.7
86.03320	0.8
87.00853	0.8
89.02441	2.9
101.02440	1.4
103.00395	0.8
113.02445	1.9
114.05604	0.6
119.03532	1.1
119.05056	2.5
123.04562	0.9
129.01930	2.6
132.02180	15.4
133.02716	0.6
134.03758	9.5
147.02992	2.7
149.06079	1.6
151.04021	1.2
160.01675	67.4
161.01990	4.2
163.04051	4.5
164.08395	0.7
175.04016	100.0
176.04384	7.9
179.05556	0.8
191.01976	6.8
191.07150	2.1
192.02426	0.6
192.07967	0.9
193.05070	17.9
193.08713	2.5
194.05392	1.2
202.02728	0.9
207.06738	0.6
209.03058	14.3
209.06639	3.9
210.03375	0.8
217.05072	6.5
235.06123	3.2
265.07132	0.7
273.71606	0.5
273.84839	0.5
288.36603	0.6
295.08286	1.8
355.10501	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24805	0.7
55.01882	2.4
57.03461	13.6
59.01380	6.9
59.30783	0.6
59.59959	0.7
62.20145	0.7
69.68694	4.3
71.01388	3.1
72.99319	1.1
75.00861	1.0
79.51661	0.6
80.12170	0.7
83.01370	0.9
83.46223	0.7
84.02184	2.6
85.02962	100.0
86.03302	2.6
87.00880	0.8
89.02454	1.4
103.00389	1.6
115.00325	1.0
119.05058	4.5
129.01952	5.3
133.01468	1.1
137.69402	0.7
147.03026	9.8
155.26611	0.7
158.12526	0.7
163.02834	1.1
163.04004	4.7
185.99930	0.7
191.02007	23.0
192.02333	0.8
209.03050	25.4
210.03432	0.8
247.54149	0.8
355.06638	0.8
366.28262	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94851	0.7
55.01886	2.3
57.03174	0.7
57.03458	14.0
57.03733	0.6
58.31609	0.6
59.00883	0.7
59.01162	0.7
59.01386	9.1
62.39658	0.6
66.32969	0.6
71.01385	11.2
72.99313	2.0
74.48031	0.7
75.00881	1.5
80.17660	0.8
82.87292	0.7
83.01382	1.2
84.02177	2.0
85.02961	100.0
86.03297	1.7
87.00895	1.7
89.02466	3.9
98.20786	1.2
103.00383	1.7
111.00830	1.0
115.00419	1.3
119.05055	3.2
129.01938	5.1
133.01501	3.6
147.03015	8.2
163.02727	0.7
163.04041	3.0
168.20726	0.8
191.01988	23.4
209.03056	61.2
210.03438	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0888
Annotation	GlcAbeta1-6Galbeta
Peak:m/z	Relative Intensity
55.01884	3.9
57.03449	5.8
58.00601	1.2
59.01382	20.6
59.74791	1.1
60.79576	1.0
61.26701	1.0
67.01900	3.1
68.03322	1.0
68.56628	0.9
69.03471	6.5
71.01390	32.3
72.99316	66.0
73.02954	64.9
74.03293	1.9
75.00888	3.1
76.71803	1.1
78.95908	8.8
83.01390	6.2
85.02959	58.1
86.03298	1.3
87.00893	7.6
88.09220	1.0
89.02458	3.2
95.01395	12.1
96.02994	1.2
96.96022	4.5
96.99333	1.9
97.02887	1.1
99.00892	14.5
101.02457	20.4
103.04029	5.5
108.84506	1.1
111.00939	1.7
113.02463	100.0
114.02774	3.1
115.00394	11.5
117.01943	1.0
119.03542	1.5
129.01961	24.9
131.03516	59.2
132.03851	2.2
136.29323	1.0
157.01440	24.4
161.04597	1.1
175.02493	70.9
175.72365	1.1
176.02846	3.1
178.96039	1.8
184.78432	1.2
193.03566	2.0
235.04562	1.2
246.31744	1.2
280.99081	1.3
292.87460	1.2
295.06616	2.3
315.83566	1.1
336.81326	2.2
336.85742	1.5
346.81262	1.3
354.82693	1.7
354.86560	2.2
355.02994	3.2
355.08792	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	355.1038
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
55.01870	2.0
57.03456	7.9
59.01386	8.1
69.63161	6.0
71.01393	7.3
72.57084	0.9
72.99316	1.8
75.00900	1.0
81.24124	0.8
83.01410	1.1
84.02157	1.3
85.02961	63.7
86.02449	1.0
86.03316	1.6
87.00876	1.5
89.02433	2.7
93.03471	0.9
99.08115	0.8
103.00340	1.0
119.05038	2.3
121.02954	1.5
129.01950	3.9
132.02214	5.0
133.01421	2.5
133.02936	1.5
134.03761	62.0
135.04071	3.3
137.02477	8.5
137.28246	0.8
139.04002	2.5
147.03012	4.9
149.06094	18.4
156.95291	0.8
160.00462	1.8
160.01669	18.5
161.02045	1.2
163.04066	1.5
163.28268	0.8
175.04018	25.5
178.02736	34.2
179.03090	1.8
191.01981	13.6
191.07088	1.3
192.00810	1.0
193.05074	100.0
194.05392	5.7
209.03044	31.9
209.06522	1.0
210.03421	2.2
227.15619	1.0
235.06117	1.3
355.10367	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09342	0.4
55.01889	3.0
57.03455	14.6
59.01388	7.7
60.17263	0.4
63.05397	0.4
68.99801	0.4
69.65585	0.9
69.65987	1.5
71.01389	6.6
72.99316	1.7
75.00880	1.6
78.25552	0.4
81.44800	0.4
83.01395	2.0
84.02176	2.2
85.02959	100.0
86.03313	2.2
87.00896	1.5
87.71237	0.5
89.02457	1.9
99.86298	0.4
101.02480	0.8
103.00385	1.5
119.05055	3.6
129.01959	7.3
133.01405	1.3
145.02971	0.5
147.03018	9.7
163.02707	0.6
163.04002	4.2
172.08328	0.4
191.02003	23.5
192.02469	1.0
195.95496	0.4
203.30954	0.4
209.03047	40.8
210.03349	1.7
239.20738	0.5
343.62482	0.4
355.06488	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59533	0.8
55.01875	2.1
57.03453	11.9
59.01379	8.1
69.66320	1.5
69.66719	3.1
71.01386	5.1
75.00875	1.1
75.02987	0.7
83.01385	1.2
84.02184	1.8
85.02958	100.0
86.03304	2.2
87.00890	1.4
89.02460	1.8
97.89116	0.7
103.00340	1.2
119.05035	2.4
129.01955	5.2
133.01425	3.0
147.02986	8.4
163.04051	4.1
191.00267	1.2
191.01994	21.7
209.03043	44.3
210.03476	1.3
240.10292	0.7
320.31619	1.0
347.40213	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49629	0.9
55.01891	1.4
57.03454	11.3
59.01385	7.4
69.26451	1.0
69.59364	6.0
70.94763	0.9
71.01392	8.1
72.99310	1.8
84.02194	2.4
85.02961	100.0
85.64349	0.8
86.03302	3.3
87.00891	1.6
89.02473	2.8
98.19894	1.4
101.02466	1.0
103.00418	2.1
119.05084	2.7
125.40042	1.0
129.01976	4.8
133.01447	3.5
147.03015	10.1
163.04024	2.4
163.13817	0.8
166.09360	0.9
191.02007	29.9
192.02415	1.5
193.05052	1.2
209.03058	98.4
210.03365	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	355.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	10.4
59.01385	11.9
59.48897	1.4
60.61768	1.5
69.52876	3.0
69.53284	6.0
71.01393	9.8
72.99323	2.4
73.75887	1.3
77.38835	1.3
83.01398	1.7
83.62080	1.5
84.02184	3.9
85.02961	89.1
86.03286	2.6
89.02468	3.6
92.11127	1.4
92.40138	1.4
98.13110	1.5
98.19906	3.1
119.05065	4.6
129.01950	5.8
132.02171	9.2
133.01427	4.0
133.03015	1.9
134.03752	57.0
135.04089	2.7
135.45407	1.5
137.02452	5.6
145.42551	1.5
147.03041	11.0
147.04091	2.1
149.06093	15.9
154.38167	1.5
160.01685	40.4
161.02074	1.9
163.04010	3.2
175.04018	56.8
176.04356	3.3
178.02716	30.5
178.04243	1.7
179.03055	3.2
191.01993	25.2
191.03627	1.9
191.07133	1.7
192.00685	2.2
192.02298	1.5
193.01395	4.2
193.05077	100.0
194.05394	7.8
209.03049	67.2
210.03485	2.9
217.05078	4.1
279.22021	1.6
295.08206	1.9
355.10428	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	353.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99168	0.4
57.03454	0.5
59.01387	6.4
61.39086	0.3
69.23405	0.8
69.23817	2.7
73.02982	0.5
80.15053	0.3
85.02956	0.8
87.04528	1.5
97.06594	0.4
98.20615	0.7
119.05047	1.0
121.53573	0.4
128.10669	0.4
148.05299	0.4
149.09744	100.0
150.10075	6.0
151.00346	0.5
151.04070	0.5
162.94423	0.4
169.36943	0.3
191.01976	0.7
269.04590	0.9
271.06064	0.5
353.23532	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	353.213
Annotation	Guayulin B
Peak:m/z	Relative Intensity
51.18438	0.3
65.35377	0.3
69.24788	2.1
69.25196	0.5
96.96022	1.9
100.53709	0.3
133.06628	0.5
147.08246	0.5
155.01724	0.3
161.06134	0.4
163.11311	100.0
164.11649	6.7
177.09233	78.1
178.09569	6.3
194.05907	0.4
211.91100	0.3
219.06615	0.4
222.08943	0.7
250.99768	0.3
268.44690	0.3
315.09476	0.3
353.14020	2.4
353.21237	99.8
354.21576	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	354.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95789	0.3
53.65639	0.3
59.43056	0.3
61.21162	0.3
63.02414	0.4
63.59207	0.3
65.00333	4.2
65.79630	0.3
67.01906	0.7
68.99823	11.4
69.33541	2.6
71.01376	0.4
72.99319	0.4
78.01111	0.4
79.01900	3.0
79.05537	0.5
82.00613	0.3
83.01392	8.5
85.02963	0.5
91.01907	17.9
91.05553	1.3
92.02229	0.4
93.03487	1.1
93.37395	0.3
95.01414	2.0
96.99306	0.6
101.03999	0.7
102.21730	0.3
102.43487	0.3
103.05574	0.6
104.90269	0.3
105.03439	0.3
105.07113	0.7
107.01405	0.9
107.05042	1.0
108.02184	1.6
109.02983	0.4
109.06653	0.4
110.00114	15.5
111.00909	2.4
111.08176	0.6
115.05540	2.0
117.03497	0.9
119.01415	0.7
119.05045	22.9
120.05394	1.3
121.02989	0.8
121.06670	0.4
123.00901	7.3
124.01704	4.3
124.98846	0.5
125.02439	0.4
129.03459	0.6
129.07124	0.3
131.05028	1.4
132.05869	0.6
133.02971	0.5
133.06607	7.7
134.07161	0.3
135.00938	1.3
135.04539	3.6
135.08182	4.3
136.01678	4.6
136.98825	0.8
137.02481	4.3
137.99605	12.1
138.02852	0.3
139.00313	0.6
141.02237	0.3
141.99094	1.2
143.05058	0.9
145.02971	0.5
145.06639	0.5
147.00827	0.3
147.04544	1.1
149.02444	4.1
149.06129	1.6
150.06888	1.3
151.00389	11.5
151.01604	0.6
152.01175	6.5
153.01872	0.4
156.00623	1.7
157.06618	2.3
158.06850	0.3
159.04543	1.3
161.02435	0.4
161.06073	1.5
162.06870	0.8
163.00397	19.9
163.04030	24.9
163.07649	1.2
164.01169	3.3
164.04352	1.8
165.01942	5.5
165.05595	0.6
165.99106	1.5
166.99850	0.3
167.07166	1.0
169.01389	0.3
171.04552	0.4
173.06108	1.5
174.03163	0.4
175.03987	1.1
175.07689	0.6
176.01160	0.4
176.04791	1.2
177.01990	3.4
177.05583	11.5
178.06375	15.6
178.99870	4.8
179.03352	0.3
179.07132	3.8
180.00558	0.7
185.06053	0.8
187.04007	2.0
188.04778	0.8
189.01976	2.1
189.05592	4.0
190.99902	7.5
191.03535	12.9
191.07155	12.3
191.08919	0.6
192.00560	1.2
192.04047	1.1
192.07938	4.6
193.01431	0.7
193.08331	0.5
196.00137	0.5
201.05630	1.5
202.06389	0.4
203.03552	0.7
203.07170	0.6
204.04298	0.8
205.01590	2.0
205.05084	13.1
206.05846	9.9
207.06639	16.9
208.07191	1.6
210.05267	0.4
213.05583	0.6
215.03548	1.9
216.04266	1.8
217.05156	1.6
219.03064	1.5
219.06636	23.1
220.07385	9.9
221.07741	0.7
229.05054	2.2
230.05841	1.1
232.03844	0.5
233.04584	2.7
233.08282	0.4
234.05357	50.1
235.06099	27.4
235.08621	0.4
236.06413	1.9
238.33763	0.3
241.05164	1.6
242.05560	0.4
242.78146	0.3
243.06575	0.6
247.06133	3.9
248.06917	29.6
249.07315	2.2
253.12428	0.3
255.06633	1.3
258.05298	2.6
259.05954	0.4
261.07639	2.3
269.04590	0.6
269.08118	0.3
271.06110	0.9
283.06131	2.3
283.09781	1.5
284.06677	0.5
285.04071	0.6
286.04883	1.7
298.12076	1.2
299.05679	1.4
300.05707	0.3
311.05716	7.2
311.09238	1.1
312.05975	0.9
326.11639	4.0
327.12039	0.5
336.09995	1.5
337.10638	1.5
339.08545	0.3
353.10297	0.4
354.11093	100.0
355.11447	15.1
355.15857	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06919	0.6
53.66994	0.6
59.01382	0.9
67.18291	0.5
70.94473	1.1
70.94807	0.9
103.87939	0.6
105.03450	0.9
117.03480	5.6
117.72624	0.6
119.05043	30.2
120.05376	0.7
121.02970	1.9
129.07062	0.6
134.03734	1.5
135.04552	1.0
136.01689	0.9
145.02969	0.9
157.06607	7.8
159.04532	0.8
161.02431	7.2
161.06081	1.4
162.03119	0.9
168.05855	0.9
171.04489	3.1
173.02478	1.5
174.03249	7.3
182.07358	2.6
184.05319	2.2
185.02510	0.8
185.06073	0.7
201.05591	7.2
206.02238	4.6
209.06143	1.6
210.06831	1.5
213.66460	0.6
214.06354	2.3
219.06609	0.9
221.06088	1.2
222.06909	0.9
235.07602	0.9
237.05620	6.4
238.06393	4.3
246.05418	0.9
251.07393	0.6
252.07849	1.3
253.08774	0.9
265.05115	4.5
266.05875	10.4
267.06369	1.8
268.07352	0.8
275.10706	0.8
277.05121	1.2
279.06656	4.2
280.07498	4.1
281.08212	30.5
282.08560	2.4
283.09845	0.7
293.12039	1.4
295.09781	33.2
295.90063	0.7
296.10187	3.4
305.08154	1.0
309.11441	1.1
319.09808	1.9
320.10468	3.1
321.10962	1.0
335.12897	22.2
336.13361	3.3
353.13980	100.0
354.14368	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	353.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45766	0.4
69.51722	3.0
73.09968	0.4
86.27677	0.4
93.03462	1.0
98.20667	0.6
119.05042	100.0
120.05387	4.5
131.05037	0.7
133.06595	1.0
142.32774	0.4
147.04514	3.6
175.03967	0.7
178.22148	0.4
183.01288	1.0
189.05620	2.8
189.09239	1.3
190.06395	3.2
191.07120	1.2
203.10913	0.6
218.05856	10.3
219.06631	2.9
232.07549	0.8
233.08200	9.9
233.10394	0.8
234.08548	1.1
251.09290	8.4
252.09639	1.0
295.05951	0.5
338.11676	6.9
339.11920	0.5
353.13995	33.1
353.17746	2.1
354.14322	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.9
65.00338	1.7
68.99831	1.8
69.48479	6.0
71.01427	1.0
81.93752	0.8
83.52704	0.8
91.01940	0.8
97.35242	0.8
98.20674	1.0
109.06606	1.3
110.00114	0.9
117.03452	4.7
119.05050	25.3
120.05486	0.9
121.02966	2.8
123.00918	0.8
132.05844	1.1
133.02971	2.1
133.06622	5.4
134.03763	1.5
136.01627	2.0
140.67703	0.7
148.01700	0.9
149.02478	3.3
151.07591	1.0
159.08241	1.0
161.02457	20.4
161.06131	1.0
163.00311	1.0
164.01122	0.8
174.03195	5.3
175.00377	1.0
175.07712	1.0
176.01146	0.8
177.01999	1.7
183.01253	9.3
187.04022	0.9
187.11340	2.3
189.01965	4.2
189.05511	0.9
190.06366	1.0
191.05498	0.8
191.07172	1.2
194.92686	0.9
201.05598	1.7
203.07281	2.0
203.10828	3.0
205.05103	1.2
206.02199	4.8
218.69873	0.8
219.06677	5.0
232.07379	2.2
233.04610	3.8
237.05507	1.2
251.07367	1.9
253.08755	1.4
264.06409	3.1
265.04935	0.9
279.06674	7.6
280.07385	5.7
295.06436	1.7
295.09750	20.2
295.12964	1.5
296.10162	1.6
298.18338	0.8
311.16064	0.8
321.11362	1.4
325.14911	1.0
335.12921	3.1
337.10895	2.0
338.11713	1.0
353.10318	5.1
353.14026	100.0
353.17969	14.7
354.14368	15.1
354.18289	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	353.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	2.7
68.99819	0.7
69.44310	1.1
69.44710	3.5
78.90642	0.5
103.20289	0.5
109.06621	1.6
119.05042	3.5
133.06612	7.1
136.01682	0.6
149.02492	0.7
151.00391	0.7
151.07634	1.4
159.04576	0.7
161.02499	1.2
161.36024	0.5
163.00407	1.2
171.04613	0.6
175.00372	1.2
175.03958	0.8
175.07675	2.8
176.01149	1.3
177.01933	0.6
183.04536	0.7
186.03229	1.4
190.06305	0.6
191.07251	0.6
201.05530	2.1
203.07150	0.7
217.51245	0.6
218.05806	1.4
219.06639	11.6
232.07466	1.0
241.05038	1.2
264.06473	1.1
269.04694	1.4
270.05429	0.6
283.06125	0.5
284.07187	0.7
295.06198	0.9
309.15091	1.6
338.11533	1.5
345.49490	0.6
353.13977	100.0
354.14310	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
61.16962	0.9
62.46248	0.8
63.97810	0.9
70.32281	0.8
71.24671	1.4
75.32039	0.9
91.01908	29.1
92.02220	1.7
95.01384	2.2
108.02193	3.5
109.20181	1.1
119.05048	1.9
132.05696	1.0
135.00906	46.5
135.04480	1.1
136.01244	2.0
138.89693	1.0
147.04553	2.3
148.01666	9.1
149.02464	1.8
150.03232	1.3
151.04042	1.8
151.73405	1.0
153.01968	17.4
154.02304	1.5
159.04523	1.5
159.86836	1.1
161.02510	1.4
174.62813	1.1
180.00708	6.0
183.01234	1.4
187.07747	1.1
187.11394	1.4
201.09288	3.5
202.10030	38.5
203.10408	4.0
217.12357	31.8
218.12599	2.4
261.35785	1.0
283.06058	1.2
337.10895	3.1
338.11679	5.6
340.39246	1.0
353.13983	100.0
353.17569	4.5
354.14328	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	353.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	2.6
65.61208	0.6
68.99812	1.9
69.56183	1.2
69.56592	2.8
85.45667	0.6
93.03487	0.6
98.19939	1.2
102.95869	0.6
108.02164	0.8
109.06590	2.8
119.05023	6.1
131.08675	0.9
133.02954	1.0
133.06618	7.1
135.00876	0.8
136.01663	3.8
147.08324	0.6
148.01653	0.8
149.02522	0.9
151.07672	3.0
161.02432	3.8
163.00398	2.0
164.01228	2.9
169.66208	0.6
175.00397	3.7
175.03937	1.0
175.07695	3.5
176.01137	4.5
177.01945	0.7
184.81787	0.6
189.01932	1.4
189.05617	0.9
190.06313	1.9
191.07172	0.9
201.05637	1.1
203.03540	0.7
203.07193	1.8
204.07909	1.0
218.05760	1.8
219.06615	9.6
220.06900	1.2
232.07552	0.9
245.08224	1.4
270.05438	0.7
283.06207	1.0
295.06168	4.2
309.14914	0.8
311.12860	3.5
353.13962	100.0
354.14291	12.6
366.15622	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12070	0.7
65.00334	14.8
89.00350	4.4
91.01920	2.5
97.02962	9.2
105.03479	3.9
106.04241	3.9
108.02182	1.2
119.05071	5.7
121.02973	4.4
122.03767	1.4
132.05824	32.8
133.06157	1.5
136.01694	2.1
149.02441	3.6
149.99583	3.1
155.14412	1.0
157.06517	0.9
161.09732	9.8
162.03207	6.9
164.04810	10.6
165.01947	61.2
166.02304	3.3
187.11302	65.1
188.11671	5.9
194.02213	3.9
201.05554	1.5
213.09271	1.1
219.06581	1.0
264.92422	1.0
267.06714	2.3
268.07446	2.6
283.09796	9.6
284.10196	1.0
335.12897	6.0
353.13977	100.0
354.14325	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	353.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46302	0.3
74.74346	0.3
90.73875	0.3
93.03461	0.6
95.01374	0.5
106.04259	0.4
108.02206	0.7
109.16399	0.3
110.40754	0.4
115.79041	0.3
117.03522	0.5
119.05037	56.1
120.05387	2.6
121.02962	1.3
123.00941	0.4
125.62791	0.4
130.04218	0.8
133.02936	0.5
136.01668	2.1
143.05022	0.8
145.02962	4.8
145.06610	2.8
148.01753	0.4
149.02449	0.6
149.06099	0.9
157.06612	2.7
159.04475	1.2
161.02452	1.8
161.06026	0.5
162.03258	0.7
162.06874	0.4
163.07620	0.4
173.06123	0.5
175.04002	1.7
176.04802	0.5
187.03964	2.2
188.04767	2.9
188.32018	0.4
189.05571	4.9
194.02191	0.9
201.05560	4.4
202.06346	2.7
203.10753	0.5
207.06601	0.6
214.06322	0.5
215.07088	1.0
217.13849	0.3
218.05846	0.5
219.06627	1.9
225.05482	0.6
232.07213	0.4
234.05379	2.8
237.05612	0.8
246.05267	0.4
253.05084	1.0
264.06421	0.4
267.06592	2.6
268.07275	0.9
277.05597	0.4
279.06638	14.2
280.06995	1.7
280.10080	0.3
281.08325	0.7
281.11829	1.7
293.08231	0.7
294.08823	0.4
307.09711	1.5
308.10532	2.6
309.10919	0.4
311.12967	0.4
319.09674	0.4
320.10709	0.5
321.07922	0.5
321.11407	3.6
322.11545	0.6
323.12903	29.9
324.13269	3.7
329.14474	0.3
335.12909	3.8
336.13095	0.6
338.11496	0.6
353.13968	100.0
354.14285	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	353.14
Annotation	Licoagrochalcone C
Peak:m/z	Relative Intensity
59.01389	0.8
60.90250	0.7
69.67778	4.4
71.01385	1.5
75.03124	0.7
91.01909	26.3
92.02268	1.0
98.19932	1.3
119.05038	2.1
131.08284	1.0
132.05836	6.8
135.00899	44.6
135.04492	0.9
136.01244	1.9
152.91846	0.9
153.01953	23.7
154.02315	1.2
164.04800	3.3
169.06589	7.8
170.07025	0.9
173.09338	2.7
183.08118	1.1
185.09729	100.0
186.10069	10.4
187.11299	22.6
188.11624	2.5
192.11539	1.1
193.49422	0.7
217.12340	25.8
218.12700	2.7
220.14708	6.8
221.15501	12.2
222.15710	1.3
236.10522	10.4
237.11052	0.9
241.34448	0.7
260.26700	0.7
281.10663	0.9
293.17545	2.6
321.11362	26.9
322.11801	3.3
323.12836	5.1
353.13922	58.3
354.14377	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	353.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04212	0.6
53.60372	0.6
59.01378	1.2
60.02243	0.7
71.54263	0.8
78.95921	0.7
85.02940	0.7
91.01925	2.0
108.02204	0.7
119.05046	41.6
120.05411	2.4
121.02958	1.6
132.05817	1.4
133.02979	0.9
134.03764	7.7
135.00929	3.5
135.01842	0.6
135.04526	6.0
136.01688	1.1
145.03038	3.5
145.06644	2.2
149.02510	1.2
149.06100	3.7
152.99663	0.7
153.01939	1.2
157.06589	1.9
158.06892	0.7
159.04526	0.7
159.08109	1.3
160.05217	0.8
161.02431	1.8
162.06841	0.7
163.07629	0.8
175.03928	1.0
183.01215	5.7
185.09712	1.2
187.03990	1.7
187.11349	1.6
188.04800	2.3
189.05617	2.8
194.02200	0.8
201.05609	3.6
202.06363	2.3
203.07146	2.3
215.07388	0.8
215.10774	2.0
216.07953	0.7
217.05130	0.6
217.12270	3.9
219.06589	1.0
221.08287	1.0
234.05402	2.0
237.05534	1.1
253.05025	1.0
267.06622	2.4
268.07471	0.8
279.06638	9.3
280.07104	0.9
281.12079	1.1
282.05341	1.3
295.06219	2.3
307.09698	0.9
308.10654	1.6
321.11383	2.6
323.12918	21.1
324.13284	2.2
335.12836	4.0
336.12961	0.8
338.11792	0.8
353.10385	3.6
353.14017	100.0
353.17944	11.0
354.10611	0.7
354.14377	14.8
354.18295	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87127	0.4
63.02404	0.7
65.00316	0.8
67.74721	0.4
70.94562	0.8
72.50314	0.4
72.65752	0.4
93.03483	0.5
98.41158	0.5
105.07168	0.5
107.01377	0.9
108.02180	1.8
119.05042	22.8
120.05373	1.2
123.04558	0.5
131.05096	0.5
133.02963	0.9
133.06598	1.6
135.00880	2.9
135.04544	0.5
136.01678	16.2
145.06560	0.6
147.00925	0.6
147.08153	0.5
149.06061	0.5
151.07654	0.7
157.06584	0.6
159.04538	1.4
161.02544	0.9
161.06055	1.4
163.00404	6.9
164.01189	5.7
173.06064	1.6
175.00430	0.6
175.04002	1.7
175.07654	2.7
176.01143	0.8
176.04782	0.9
185.09772	2.2
187.11278	0.7
189.01816	0.5
189.05643	0.6
190.99867	0.5
191.07106	1.5
207.97293	0.5
211.03809	0.5
217.05060	0.7
217.12285	0.6
218.05818	1.1
219.06664	11.4
220.06940	1.0
225.05577	1.6
226.06578	0.5
227.03395	1.1
231.13759	0.5
233.08200	8.5
234.08435	0.8
241.05020	1.4
251.09344	2.6
253.05083	2.7
254.05740	0.6
255.03352	0.6
264.06415	0.5
269.04620	0.8
271.27148	0.4
279.03052	1.0
297.04190	1.4
298.04822	7.9
309.04187	2.1
321.11429	0.6
330.03845	17.0
331.04233	1.3
337.07224	0.8
338.11609	5.6
353.10297	100.0
353.14023	12.3
354.10645	13.2
354.14447	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	352.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.2
60.42895	1.2
61.98840	100.0
62.28068	1.2
70.84235	1.5
70.84563	3.0
77.03971	1.6
79.42247	1.3
83.01383	1.7
85.02979	9.5
98.02225	1.2
101.06076	3.9
104.10330	1.2
119.05050	1.7
135.04547	3.4
137.06160	1.4
144.03178	1.5
156.39505	1.2
160.05110	1.6
161.02487	1.8
161.06087	3.2
163.03984	5.4
178.06717	2.0
190.02652	1.6
191.02034	5.1
191.03624	2.7
205.05087	57.9
215.03528	2.0
233.04562	63.7
245.04546	1.9
256.61823	1.3
311.66147	1.2
343.91049	1.2
352.13068	3.9
353.08853	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0518
Annotation	2-Caffeoylisocitrate
Peak:m/z	Relative Intensity
52.27211	0.7
55.01883	1.5
57.03453	10.9
59.01390	6.5
68.99821	1.0
69.46494	0.9
69.46902	4.7
71.01365	1.0
72.99316	1.2
83.01402	1.1
84.02171	2.3
85.02960	100.0
86.03309	2.6
91.70368	0.7
98.19999	1.0
103.00378	1.0
107.05062	1.1
109.02950	1.2
129.01952	2.4
133.02974	5.9
134.03728	2.2
135.04546	17.6
147.03003	15.0
161.02458	22.8
162.02797	1.4
179.03519	9.0
191.01999	67.4
192.02335	2.6
209.02809	0.8
247.06203	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0518
Annotation	2-Caffeoylisocitrate
Peak:m/z	Relative Intensity
55.01882	2.0
57.03454	12.8
59.01390	6.2
65.10410	0.9
68.99834	0.9
69.52125	5.9
71.01389	2.4
83.01400	2.2
84.02187	2.9
84.18385	0.8
85.02962	100.0
86.03320	2.7
107.19227	0.8
109.02972	1.2
117.03466	0.9
120.57346	0.7
121.02962	2.3
123.04500	1.0
125.02452	1.7
130.83101	0.8
133.02983	5.6
135.04529	9.4
146.56393	0.9
147.03024	16.9
147.04489	2.8
149.02486	1.1
153.55336	0.9
160.83992	0.9
161.02463	20.8
162.02744	1.0
179.03551	4.7
191.01994	62.2
191.03555	22.0
192.02310	2.6
192.03925	1.2
203.03551	0.8
205.04877	0.9
247.06171	1.9
276.46118	0.9
297.07657	2.6
325.06998	1.0
353.06482	3.4
353.08734	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	353.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12779	0.2
55.73566	0.3
58.04084	0.3
63.02390	0.4
65.00323	0.6
69.82314	1.4
86.01116	0.3
91.01905	0.6
93.03470	0.7
95.01413	0.3
95.64441	0.2
98.20493	0.4
107.01396	0.7
108.02193	2.0
118.70575	0.3
119.05040	4.7
121.02953	0.5
123.00854	0.3
131.05061	0.3
133.02965	0.9
133.06604	1.2
135.00900	3.5
135.04558	0.5
136.01675	15.6
137.02048	0.6
147.08202	0.4
149.02486	0.4
149.06108	0.5
151.07654	0.9
153.01929	0.3
161.02477	0.5
163.00377	6.0
164.01180	5.7
168.00774	0.3
172.50772	0.3
173.06076	0.6
175.03976	0.5
175.07614	1.2
176.01053	0.5
176.04764	0.3
185.09720	3.6
187.11203	0.7
190.99907	0.3
191.07178	1.1
199.04047	0.4
203.03470	0.4
213.05585	0.3
217.12314	0.6
218.05925	0.4
219.06613	3.8
221.15479	0.5
225.05589	1.4
226.06104	0.3
227.03651	0.4
233.08195	1.7
236.10608	0.3
237.05609	0.4
241.05142	1.5
253.05127	2.3
254.05771	0.9
269.04657	0.5
279.02936	0.7
281.04608	0.3
297.04041	1.0
298.04803	6.6
299.05063	0.9
301.79498	0.3
309.04001	0.7
310.04709	0.4
321.11246	0.8
325.10669	0.6
330.03821	17.3
331.04111	1.8
337.07202	1.0
338.07892	0.6
338.11642	1.2
353.10303	100.0
353.13745	4.9
354.10623	15.0
354.14001	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2541
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
51.21405	1.0
59.01371	3.9
62.21274	0.9
71.53971	1.5
90.29784	0.9
96.42176	0.8
96.96028	1.3
104.58505	0.9
110.89166	1.2
110.89958	0.8
119.05075	0.9
123.04588	1.2
137.06093	1.6
165.09216	2.0
206.47667	0.9
245.19194	1.5
261.39777	0.9
289.25452	3.3
333.24374	100.0
334.24667	13.3
334.58807	1.2
351.12213	1.1
351.21643	1.9
351.25461	21.3
352.25647	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	351.1242
Annotation	Alisiaquinone A
Peak:m/z	Relative Intensity
57.03452	0.6
59.01375	1.1
60.62135	0.6
62.44836	0.6
70.58398	1.6
89.16211	0.6
91.30452	0.6
93.03436	0.7
103.24845	0.6
108.02238	0.6
117.03522	0.9
119.05045	49.7
120.05381	1.9
121.02949	1.3
121.06551	0.8
130.04266	1.9
136.01714	1.7
145.02980	4.4
145.06613	1.7
146.07315	0.8
147.04515	0.6
159.04539	1.9
161.02402	0.8
163.07620	0.7
171.04514	0.9
173.06146	0.8
174.03264	1.0
186.06804	0.8
187.04013	3.5
188.04779	2.6
189.05626	2.3
197.05992	0.7
201.05563	1.3
202.06454	1.3
208.05342	0.7
215.03679	0.6
216.04263	1.4
217.05078	2.0
225.05632	1.8
230.05864	1.2
234.05321	1.4
237.05563	1.4
251.07095	1.0
253.05122	3.5
261.05475	1.0
267.06677	1.9
277.05035	1.7
278.05930	3.6
279.06677	14.6
280.07047	1.5
281.11996	1.2
289.08841	0.9
292.11496	0.6
293.08252	7.7
294.08673	0.9
305.11792	0.7
307.09766	1.2
308.10373	1.2
323.12900	8.4
324.13434	1.0
336.10172	2.8
351.12421	100.0
352.12750	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.8
57.77719	0.5
59.01389	10.8
68.99825	1.0
69.03453	1.0
70.83527	1.6
71.01395	9.9
72.99316	3.7
75.00878	14.4
85.02959	14.1
86.41985	0.6
87.00885	5.4
87.32980	0.6
89.02461	2.8
90.24625	0.6
95.01374	3.1
99.00890	6.9
101.06094	100.0
102.06432	3.2
103.00383	1.8
111.00899	1.3
113.02455	16.9
115.00386	0.8
117.01947	2.5
129.01991	1.7
175.02467	2.1
193.48570	0.7
231.05080	2.4
243.50343	0.6
249.03815	1.3
249.06200	16.6
250.06520	1.2
291.10989	0.6
333.11905	2.2
351.12976	55.7
352.13321	6.6
352.17349	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.3
59.01386	100.0
60.01720	1.2
71.01398	1.2
71.54878	1.2
71.55272	1.1
77.23757	0.7
85.02952	3.1
87.00885	3.9
88.34450	0.7
96.95845	0.8
97.06568	1.9
121.02924	1.5
133.02965	1.2
161.02423	0.9
163.07620	1.1
175.07706	2.1
187.07719	1.1
191.01936	0.9
200.04701	1.2
201.09184	2.0
203.07123	1.5
207.06033	0.9
217.08389	0.9
219.10294	3.0
229.08749	3.7
261.04150	0.8
273.07690	2.9
291.08801	1.2
333.10114	0.9
344.91760	0.9
351.10822	8.3
351.14606	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.1
63.10690	0.4
64.19318	0.5
65.00335	4.3
68.45082	0.4
70.95181	0.8
75.82438	0.4
79.05527	1.4
83.01392	0.7
84.57727	0.5
102.04823	0.5
103.05550	1.9
105.07086	1.9
107.05042	5.6
117.03445	0.5
119.05054	9.9
120.05392	0.5
129.07149	1.6
130.04222	0.8
131.05045	5.5
132.05443	0.8
136.98825	1.5
143.05045	0.9
145.02960	1.2
145.06570	1.2
147.08125	0.7
149.06087	6.2
150.06395	0.5
159.04576	2.7
161.02448	0.5
161.06068	1.2
170.03696	0.6
173.02498	0.5
173.06099	6.4
174.03252	1.1
175.04031	2.1
177.01956	0.6
183.04529	1.1
184.05296	0.5
185.06023	0.7
186.03221	6.4
187.03961	2.1
188.04753	1.4
189.05621	3.4
189.99046	0.8
199.07753	1.2
201.01939	0.8
201.05585	6.7
202.06142	1.1
213.05582	0.9
215.03557	0.9
216.04257	0.7
217.05080	14.0
217.07187	0.7
218.05446	1.5
229.05142	3.2
230.05841	3.3
243.06596	0.9
249.09233	0.7
262.04886	2.8
277.08740	0.6
290.09430	0.6
291.10248	1.6
292.11041	1.3
305.11789	0.7
307.13425	2.4
309.11295	0.6
315.21323	0.5
315.25327	0.9
323.12909	0.8
333.11432	0.6
335.09308	1.3
336.10150	1.9
351.12411	100.0
352.12726	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	349.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	52.5
64.47804	17.5
70.91142	17.6
71.01384	20.5
94.52980	20.0
95.70397	17.2
101.53181	17.6
102.16853	17.9
119.05043	100.0
123.28490	17.7
216.96303	20.1
229.08765	21.0
247.09764	27.0
255.21724	20.6
315.82007	21.7
349.10648	24.6
349.14389	49.9
349.21750	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	350.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	19.7
61.98838	100.0
69.19772	5.6
69.20180	25.9
86.88380	3.3
96.96036	21.1
119.05022	13.4
167.35275	3.8
186.95580	4.6
192.95877	5.7
265.14651	4.3
281.04471	6.0
293.04611	26.7
333.24292	17.2
350.21841	3.8
351.12402	37.7
351.18933	4.2
351.25266	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	351.1089
Annotation	Plumbaside A
Peak:m/z	Relative Intensity
57.03455	2.8
59.01368	5.5
66.27983	1.4
69.03458	4.8
69.25307	10.3
69.25732	2.8
71.01395	4.6
85.02945	3.5
87.00887	74.0
88.01209	2.2
97.06619	11.0
101.02483	2.3
115.00411	2.4
121.02987	8.2
122.03835	1.9
123.04517	10.4
130.99879	11.2
146.03760	16.6
147.04549	9.9
148.05302	2.3
149.06068	5.5
149.09729	1.3
159.04517	2.3
159.08046	1.7
160.05281	3.1
161.06050	3.8
162.06821	3.5
163.04022	2.1
163.07680	5.3
172.05325	11.9
173.06050	7.5
174.03210	7.5
174.06796	3.2
175.04031	6.2
175.07646	41.1
176.04761	3.9
176.07938	2.5
185.06157	1.7
186.06850	5.2
187.04001	1.9
187.07681	7.8
188.04880	7.3
188.08025	1.5
189.05609	7.7
189.09187	2.3
190.06375	11.2
191.10701	1.7
199.04056	3.3
199.07663	2.1
200.04828	22.5
201.05380	2.9
201.09242	17.8
202.09636	1.6
203.07144	14.4
204.07930	8.7
211.07648	2.7
214.06429	2.8
215.07161	3.9
216.04227	2.0
216.07800	2.4
217.08730	15.6
219.10277	27.3
227.07164	2.5
227.10854	9.0
228.07965	4.3
229.08716	66.6
230.09059	7.6
243.10234	4.2
245.08180	8.8
245.11824	5.7
247.09827	9.2
254.04469	6.7
261.11340	5.3
271.09784	5.8
273.07715	45.6
274.08011	4.3
278.73996	1.4
289.10898	8.4
291.08899	2.3
315.08609	2.3
319.31277	1.4
333.09875	17.2
334.10248	2.6
351.10873	100.0
352.11240	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	349.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62330	0.8
57.64034	0.9
59.01386	100.0
59.40482	1.0
60.01714	1.3
69.68634	5.8
71.01395	3.8
73.02962	0.9
77.34642	1.0
83.01423	1.1
85.02976	2.0
98.14365	1.0
99.02522	0.9
101.02468	3.0
113.02455	1.2
116.05054	1.0
117.03461	1.4
119.05035	8.7
142.06659	2.0
145.02979	5.5
161.04524	2.2
182.18729	1.0
229.06279	3.8
255.67787	0.9
289.16690	1.3
359.28534	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1872
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
51.07273	0.7
55.01878	2.1
57.03455	3.5
58.00603	4.2
59.01385	100.0
60.01719	1.5
65.45774	0.6
71.01389	71.8
72.01740	1.2
72.99313	5.0
73.02957	7.3
75.00906	0.9
82.97236	0.7
83.01402	4.9
85.02966	19.8
87.00895	3.4
87.04581	0.8
89.02455	64.5
90.02805	1.5
95.01407	4.5
97.02998	1.0
99.00872	3.3
99.04551	1.0
101.02454	44.6
102.02810	0.9
113.02464	30.4
114.02792	1.1
115.07700	0.8
116.92928	1.1
119.03517	26.4
122.06256	0.8
125.02493	1.1
127.11381	1.2
131.03485	4.0
134.03679	1.6
137.09773	1.3
138.05634	0.8
143.03545	6.2
149.04588	1.5
152.07237	0.7
155.10808	2.5
159.03050	2.0
161.04564	13.6
162.04953	0.9
173.11888	0.8
179.05612	9.0
181.08563	0.8
187.13458	9.8
199.09846	2.2
200.10995	0.8
217.10858	7.5
229.05466	0.9
274.10852	1.4
277.13181	0.7
287.11588	0.9
305.11691	1.6
349.11383	1.5
349.14960	1.1
349.18710	12.5
350.19214	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1872
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
52.04872	1.1
55.01864	3.8
57.03441	3.0
58.00597	4.2
58.45916	0.8
59.01387	100.0
60.01714	1.8
69.03458	1.7
71.01392	84.0
71.53399	1.4
72.01727	1.1
72.99311	3.9
73.02957	8.8
75.00895	1.6
83.01389	5.4
85.02966	22.6
87.00869	4.0
87.04527	1.7
89.02457	60.7
90.02779	1.1
95.01396	4.9
99.00889	3.8
99.04546	7.5
101.02452	46.1
102.02812	1.4
113.02465	33.9
113.03262	1.7
119.03516	27.2
124.67107	1.1
125.02473	1.3
128.03546	3.2
131.03531	2.4
133.06966	1.5
139.05150	1.1
143.03529	5.5
149.04549	2.0
159.02983	2.5
161.04575	17.1
171.07813	1.2
179.05640	9.7
187.13457	9.8
188.13693	1.2
236.73434	0.9
249.06204	1.8
267.07278	1.4
305.05591	1.3
331.09018	1.4
335.86838	1.0
349.11371	4.4
349.18692	42.8
350.18994	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	349.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90825	0.9
54.44253	1.0
59.01386	100.0
60.70023	0.9
69.31729	1.0
69.61085	4.6
69.61507	2.1
71.01391	4.0
75.00863	2.2
85.02962	3.5
87.00896	1.4
89.02471	2.1
94.41226	1.0
99.00838	1.4
99.97295	0.9
101.02477	1.5
113.02473	3.2
125.02444	1.7
134.03548	1.1
136.01669	2.1
150.01457	1.0
151.03992	1.4
151.83344	1.4
154.33400	1.0
155.10858	1.5
162.03223	1.8
185.06158	1.3
199.70720	1.0
224.07903	2.8
258.41766	1.0
305.10376	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	349.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80666	0.5
57.03441	1.8
59.01387	7.1
71.01386	2.0
71.32717	0.4
71.55099	0.6
73.02908	0.9
85.02966	2.1
89.02451	0.8
97.06612	6.4
101.02487	0.8
113.02459	1.8
123.08188	3.4
125.09741	54.0
126.10075	3.4
143.10867	0.8
152.03543	1.1
155.10808	2.0
165.09259	0.6
167.10774	1.6
169.08733	1.6
171.10312	2.1
187.09775	100.0
188.10129	5.7
197.01205	0.7
201.11331	1.9
211.09775	4.4
217.10808	4.2
229.10866	1.5
269.04535	1.5
349.14941	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1872
Annotation	6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
57.03455	2.0
58.00585	1.5
59.01387	35.8
61.98848	0.7
62.11053	0.7
62.66552	0.7
68.04327	0.7
70.76374	1.8
70.76713	1.1
71.01393	18.5
72.99315	3.2
73.02932	1.6
75.00871	1.2
80.35851	0.7
83.01399	2.2
84.02155	0.8
85.02961	17.0
87.00895	1.4
89.02459	16.1
95.01424	1.4
101.02454	13.5
111.00832	0.9
113.02469	6.8
119.03511	5.6
119.05009	1.2
129.01950	1.5
141.12871	31.2
142.13167	1.8
145.02965	1.0
155.14478	0.8
169.12346	6.8
171.13884	1.4
183.13916	2.4
187.13411	58.8
188.13722	3.5
191.01988	3.4
229.14505	1.7
349.18680	100.0
350.19070	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	347.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
56.68679	1.3
57.03448	3.5
58.00587	3.5
58.27732	1.2
59.01388	100.0
65.34849	1.2
66.47836	1.0
69.03474	2.6
71.01393	56.4
71.02952	2.6
72.99318	5.2
73.02959	4.9
77.88518	1.2
80.83795	1.2
83.01390	2.9
85.02966	14.9
85.06636	1.4
87.00867	3.8
89.02461	50.4
90.02831	1.2
90.98652	1.3
95.01411	4.4
99.08175	2.9
101.02460	40.0
113.02467	21.6
115.03974	1.5
119.03521	26.8
131.03540	2.5
143.03465	2.4
149.04697	1.6
161.04590	3.3
167.10806	33.3
179.05649	4.2
347.17172	49.1
347.23715	6.5
348.17566	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	348.0366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	60.3
61.98835	18.7
66.41474	5.6
71.01389	33.5
85.02956	8.1
89.02467	37.1
90.68546	5.9
95.77073	6.4
98.20666	16.8
101.02446	24.3
113.02466	18.1
119.03542	15.9
133.02980	18.4
134.35501	6.5
232.84163	6.2
284.97275	6.7
285.04074	100.0
286.04605	9.1
347.24371	25.2
348.14554	6.7
348.24738	9.1
349.18738	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	348.9865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.7
61.98839	100.0
62.98557	0.5
63.99279	1.0
69.96307	1.0
69.96712	0.7
78.38274	0.4
98.20527	0.5
120.62020	0.4
122.17214	0.3
146.95265	0.5
147.31068	0.3
162.98494	1.5
164.96538	0.3
172.45418	0.3
204.00032	1.7
205.00156	4.1
205.99728	5.8
206.97473	54.0
207.93396	0.6
207.97653	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	347.1715
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
52.98568	1.1
55.01879	2.1
57.03460	3.1
58.00602	2.5
59.01387	92.4
60.01710	1.7
69.51178	5.4
69.51589	2.5
71.01390	58.0
72.99310	5.8
73.02946	5.1
83.01398	3.8
85.02958	15.6
87.00890	1.8
89.02453	46.0
91.19966	1.3
95.01410	4.1
99.00896	2.3
101.02449	31.5
113.02467	21.9
119.03514	20.9
121.10242	2.1
124.06636	1.2
131.03482	2.0
133.74194	1.1
145.02962	1.5
149.04605	1.4
161.04532	3.4
167.10780	21.3
179.05626	1.9
185.11870	4.1
187.07668	1.7
216.14459	1.1
347.17157	100.0
348.17545	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	347.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.5
59.01389	9.9
65.00330	7.1
65.03970	2.0
67.01890	4.3
68.99828	2.8
71.01410	6.2
71.01733	1.0
71.54636	1.2
72.99305	1.9
73.02956	2.1
75.00874	1.1
84.04517	2.3
85.02979	6.5
89.00352	1.6
89.02451	4.1
89.58665	1.2
91.01906	2.5
93.03476	3.0
94.03011	1.2
94.06635	1.3
95.01390	3.8
95.05037	7.2
96.04585	2.1
97.01695	1.6
97.02986	5.3
99.00880	1.1
101.02451	4.9
104.01400	1.4
107.03768	2.7
108.02201	2.7
108.04570	2.9
109.02991	6.9
110.06133	74.7
111.00901	1.5
111.06488	2.7
113.02480	3.4
115.07664	1.4
116.05087	19.5
117.03484	1.2
117.05426	1.3
118.06647	10.0
118.12616	1.1
119.03548	1.5
119.05025	2.2
121.02972	2.1
122.06138	94.5
122.52362	1.0
123.00919	1.4
123.04513	1.1
123.06466	3.4
124.01675	15.4
124.04060	1.7
125.02480	1.6
128.03532	1.1
130.04243	1.5
131.05037	1.9
131.30998	1.1
132.04488	1.4
133.02972	2.6
134.03780	1.1
134.06087	2.3
135.00958	1.3
135.04524	3.8
136.01675	5.7
136.07680	1.5
137.02477	14.7
138.03210	3.7
139.04045	16.0
144.04573	71.6
145.02988	2.2
145.04910	5.2
146.03772	1.5
146.06064	2.0
147.03235	2.3
148.01677	2.2
149.06073	1.1
149.99577	2.1
150.05605	1.6
154.04338	1.4
155.05086	1.5
157.02951	3.5
158.03726	2.5
159.04550	12.0
160.04051	1.2
160.05281	1.2
161.02470	5.8
161.04724	3.5
162.05629	60.5
163.00401	7.5
163.04007	2.1
163.06342	5.4
164.01186	5.3
165.01932	11.6
169.02856	1.1
170.03728	2.6
171.04527	3.1
171.07932	1.2
172.01704	1.3
172.05331	2.7
173.02434	2.1
173.06114	1.3
174.03175	1.8
175.04041	2.3
176.04823	1.7
176.61003	1.1
177.01823	1.6
177.04224	1.5
179.03564	6.8
183.04556	4.0
185.02600	4.9
186.03197	3.4
187.04024	4.0
187.96783	1.2
188.03447	12.1
188.04883	5.0
189.05498	1.7
191.03590	1.6
191.05795	2.4
191.07304	1.6
195.05379	3.2
198.03246	8.3
199.04045	3.1
200.01125	2.0
200.04813	4.7
201.01938	2.1
201.07990	1.3
202.02896	1.2
203.03511	2.7
204.04170	2.3
209.02995	1.1
213.01936	3.2
213.05576	1.5
214.02742	15.5
215.03563	5.8
215.07098	3.0
215.11787	1.3
216.04356	6.8
217.05002	2.5
224.10817	2.1
226.02820	1.8
227.03542	4.5
229.01414	1.5
229.05106	3.9
230.11897	3.2
231.06682	5.7
232.03743	2.0
240.09021	1.6
241.05127	2.2
242.02225	25.0
242.11874	2.5
243.02844	3.2
243.11377	1.6
244.03740	2.9
247.06085	3.4
252.09019	1.8
255.11420	21.4
256.11740	2.6
257.04599	18.1
258.04877	1.9
259.02390	1.8
259.06152	4.6
260.12912	4.2
267.11407	61.7
268.11685	6.2
270.01752	2.9
273.12418	12.1
274.12778	1.8
275.05646	2.6
285.04117	15.5
285.12476	90.0
286.04178	1.2
286.12860	7.6
293.09607	1.4
303.05145	100.0
303.13452	22.7
304.05484	7.7
304.13873	2.6
311.10416	3.5
329.11514	7.5
330.11685	1.8
347.04153	4.7
347.08017	1.2
347.12457	20.1
347.17160	3.5
348.12869	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0777
Annotation	Flustrabromine
Peak:m/z	Relative Intensity
57.03457	16.8
57.29927	0.9
59.01386	16.2
63.02393	2.8
65.00334	8.1
69.55083	1.8
69.55504	4.3
71.01385	7.0
73.02957	1.1
78.99743	1.0
83.01402	10.2
85.02974	7.4
87.00914	1.3
89.02464	4.8
95.01395	10.4
100.74610	1.0
101.02454	3.9
104.42954	0.9
107.01414	6.9
109.03017	1.9
110.00113	1.5
111.00920	4.8
113.02435	2.1
113.09708	1.6
119.03500	1.9
120.45689	1.0
123.00905	5.4
124.01690	18.5
125.02467	100.0
126.02805	2.9
133.02986	1.7
135.04533	3.0
137.02437	2.8
139.00380	2.2
144.23701	0.8
151.00397	17.7
152.01175	32.8
153.01819	2.1
161.02464	7.6
163.00401	1.8
165.01965	3.9
168.00647	1.0
169.01482	0.9
176.04738	1.2
178.02733	1.4
178.99866	15.1
179.03537	3.4
185.11868	10.6
187.03996	2.8
191.01985	1.4
193.05078	1.2
199.03935	1.3
207.03043	6.4
209.02974	1.5
222.05296	5.1
229.05141	1.8
231.03027	3.1
237.07684	4.8
241.04155	1.1
244.07324	1.0
245.04526	3.7
246.05374	1.6
255.02867	1.5
259.09625	1.4
261.07712	5.4
271.02417	1.3
273.03979	2.3
275.09308	1.9
279.08795	1.1
288.06467	2.8
289.03629	2.1
297.00607	1.3
303.08740	10.8
304.05820	2.7
304.08929	1.5
319.08249	74.4
320.08539	7.3
323.09201	2.0
329.06693	2.1
347.07761	56.4
347.17099	3.3
347.24353	11.4
348.08093	5.8
348.24655	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49344	0.9
57.03446	1.6
59.01392	8.6
59.69185	1.0
65.00336	9.0
65.03943	1.1
66.91589	1.0
67.01896	4.7
68.99822	2.0
71.01386	4.2
71.53403	1.7
72.99313	1.1
75.00878	1.0
77.44852	0.9
78.95932	1.6
85.02956	9.5
86.02475	1.9
87.00851	1.0
89.00359	2.4
89.02483	2.1
91.01917	1.2
93.03482	2.9
95.01420	3.8
97.02981	6.9
101.02460	1.4
107.01355	1.2
108.02190	4.3
109.02969	7.5
110.06137	9.3
111.06544	1.2
113.02439	2.2
116.05082	3.3
116.92863	1.6
118.06616	1.1
121.02989	3.8
122.06140	11.7
123.00854	1.3
123.04518	1.2
124.01677	13.0
125.02478	1.2
127.08817	1.1
128.03534	9.3
130.04259	1.1
131.05049	2.2
133.02977	3.3
135.00890	1.9
135.04552	4.0
136.01685	5.5
137.02467	15.4
138.03226	3.1
139.00429	1.8
139.04047	18.9
143.05028	1.5
144.04564	8.9
145.02948	2.4
147.04587	1.5
148.01671	1.9
148.15581	1.0
149.02417	1.2
149.99628	1.5
151.00398	1.9
151.04091	1.3
155.05205	1.3
157.02963	3.9
158.03752	3.0
159.04512	11.1
160.05319	1.3
161.02473	9.8
162.02988	1.3
162.05635	7.0
163.00371	6.3
163.04001	2.1
164.01160	5.2
165.01965	13.4
170.03746	3.5
171.04520	2.8
171.07791	2.9
172.01765	1.6
172.05292	3.9
173.02530	2.5
174.03325	2.8
175.03984	1.7
176.01129	1.3
176.04787	1.6
179.03577	5.2
183.04564	2.9
185.02386	5.4
186.03287	5.1
187.04059	6.1
188.04950	5.0
189.01888	1.7
189.05585	2.7
191.01917	1.2
191.03529	2.1
191.07220	2.1
198.03235	8.6
199.03951	4.2
200.04788	3.1
201.01978	2.5
202.02740	1.4
203.03551	2.1
203.07124	2.0
204.04277	3.6
207.03008	1.6
209.02878	2.0
213.02005	4.3
213.05539	1.1
214.02740	18.1
215.03439	7.1
215.07089	3.3
216.04234	7.4
217.04962	1.3
219.06586	1.4
224.10660	1.2
226.02757	4.1
227.03491	4.6
228.04346	1.5
229.05055	3.6
230.11951	1.1
231.06596	6.5
232.03835	1.9
241.04984	2.2
242.02200	24.5
243.02695	3.2
244.03760	3.7
247.06140	3.0
249.05583	2.9
255.11510	1.6
257.04599	20.9
258.04791	1.3
259.02408	2.0
259.06198	5.5
267.11435	9.2
268.11746	1.5
270.01678	2.6
273.12457	2.4
275.05643	2.9
285.04053	15.6
285.12463	12.7
286.04492	1.7
303.05136	100.0
303.13544	3.1
304.05502	11.0
329.11722	1.3
347.04068	5.9
347.12485	3.5
347.17004	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	345.184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58618	16.3
59.01385	64.8
71.53943	32.2
104.18673	16.0
119.05059	39.1
138.09598	18.4
159.08154	43.8
203.07158	58.8
221.06273	22.3
221.08246	67.2
228.91040	18.6
248.96062	30.2
278.35046	19.9
290.97217	40.3
309.20706	75.9
345.11096	100.0
345.17715	25.9
346.11322	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	28.5
60.01712	3.0
61.01801	0.6
61.98837	100.0
67.68862	0.4
71.04004	0.8
71.04639	0.4
86.61281	0.4
92.06536	0.4
92.32387	0.3
151.77577	0.4
158.03813	0.9
159.03349	1.5
160.03777	0.4
184.47125	0.4
201.02596	4.3
202.02737	11.9
203.02306	14.9
204.00018	42.6
204.02661	3.4
205.00175	3.8
205.02788	0.6
290.36639	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0558
Annotation	Adenosine monophosphate
Peak:m/z	Relative Intensity
62.96410	0.5
70.87257	1.1
78.95911	100.0
96.96970	26.3
96.97617	0.9
107.03640	1.1
111.00858	0.4
129.01933	0.6
134.04739	13.4
134.56920	0.4
138.98048	1.0
150.98026	2.5
192.99088	0.9
211.00105	3.4
264.01422	0.4
346.05591	31.6
347.05939	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	347.041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49324	2.5
59.01378	10.9
65.00340	5.4
67.49483	2.5
70.52799	8.1
71.01390	14.4
81.03471	10.1
81.80610	2.8
83.01396	3.4
85.02956	12.7
89.02469	5.2
93.03457	22.1
101.02448	10.2
104.47002	3.6
109.02962	31.7
113.02465	4.8
119.05042	4.0
122.09401	2.7
124.01667	37.0
131.05072	6.8
133.02953	3.2
135.04535	6.2
137.02460	100.0
138.02776	4.6
139.04025	52.4
140.04399	5.2
140.34763	2.9
143.05008	5.0
145.02936	4.3
147.04495	4.5
155.04985	2.9
159.04495	14.3
161.02393	5.8
161.04585	6.2
162.05475	3.4
163.00360	6.9
165.01990	13.5
171.04556	12.4
172.05281	12.9
174.03204	10.8
175.03954	5.6
178.99910	5.9
179.03517	10.5
183.04491	7.9
185.02434	4.5
187.03989	4.9
188.04706	5.2
193.01418	7.9
196.54787	3.1
198.03313	4.5
199.04051	25.0
200.04825	33.0
203.03529	8.2
214.02792	3.4
215.03674	16.4
215.07111	45.7
216.04222	11.9
227.03409	14.2
231.06561	9.7
235.05972	3.6
241.05144	4.3
243.03008	4.9
244.03801	32.7
259.06171	21.7
261.04144	10.7
261.31042	3.2
271.02576	21.0
273.20132	3.2
275.05576	3.6
285.03928	4.0
289.87653	3.1
303.05161	19.8
308.50137	3.6
324.61035	2.7
347.16937	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	345.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.5
57.03460	2.1
58.00596	6.0
59.01387	100.0
71.01392	65.6
71.01788	3.3
71.54960	2.1
72.01721	1.8
72.18011	1.5
72.99329	3.9
73.02957	6.2
80.27036	1.5
83.01395	6.7
85.02968	17.4
87.00878	4.0
89.02455	60.9
95.01393	4.8
99.00928	3.0
101.01800	3.4
101.02453	47.5
101.16333	1.6
108.04568	6.6
113.02470	25.9
119.03522	24.2
121.10258	11.4
131.03516	2.0
146.06114	1.5
149.04572	2.5
151.13275	1.5
154.43117	1.5
159.03091	2.1
161.04567	3.2
165.09236	18.3
172.81134	1.5
183.10300	3.7
345.11279	3.2
345.15591	81.2
346.15948	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	345.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.5
57.03460	2.1
58.00596	6.0
59.01387	100.0
71.01392	65.6
71.01788	3.3
71.54960	2.1
72.01721	1.8
72.18011	1.5
72.99329	3.9
73.02957	6.2
80.27036	1.5
83.01395	6.7
85.02968	17.4
87.00878	4.0
89.02455	60.9
95.01393	4.8
99.00928	3.0
101.01800	3.4
101.02453	47.5
101.16333	1.6
108.04568	6.6
113.02470	25.9
119.03522	24.2
121.10258	11.4
131.03516	2.0
146.06114	1.5
149.04572	2.5
151.13275	1.5
154.43117	1.5
159.03091	2.1
161.04567	3.2
165.09236	18.3
172.81134	1.5
183.10300	3.7
345.11279	3.2
345.15591	81.2
346.15948	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	345.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97579	1.6
55.01882	5.8
57.03452	5.2
58.00599	3.5
59.01389	82.6
70.29569	1.8
71.01391	79.7
71.54951	2.0
72.01727	1.9
72.99329	7.0
73.02956	19.1
83.01392	13.8
85.02958	32.3
86.00165	1.9
87.00862	3.0
88.96864	1.7
89.02456	42.9
95.01414	8.5
97.02969	1.7
99.00906	7.8
101.02455	62.4
113.02458	31.4
113.03179	2.8
119.03513	17.5
121.06618	5.2
121.10264	7.2
122.06158	2.4
124.07740	1.7
132.04572	12.7
133.05336	6.7
137.02457	1.7
137.46233	2.0
139.07671	27.0
139.11296	2.4
143.03528	1.9
146.06163	3.0
159.03078	3.0
161.04529	10.3
163.07617	2.1
165.04291	9.2
165.05534	2.0
165.09077	1.9
177.04341	2.2
178.05040	2.0
182.99294	1.5
183.06671	10.1
183.10281	9.6
209.03302	2.8
214.12222	1.9
214.90363	1.8
219.97221	2.0
223.09758	11.8
241.09828	2.3
257.12997	7.2
283.10764	2.9
301.11932	6.6
301.16391	1.9
305.75049	1.8
327.13257	3.0
345.10974	28.3
345.15573	100.0
346.11786	3.7
346.16013	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	345.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77792	0.7
59.01381	1.4
68.04591	0.7
71.54171	1.1
81.03469	19.2
83.01390	1.4
92.75339	0.8
95.05056	1.0
95.41013	0.8
115.23779	0.8
125.26614	0.8
154.58586	0.8
179.14453	4.8
202.93352	0.8
219.17558	63.2
220.17892	6.7
221.15485	10.2
263.16547	100.0
264.16885	10.2
290.97202	1.1
310.95810	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28708	0.8
57.03452	1.8
59.01383	7.1
66.15767	0.9
69.37217	4.9
69.37620	2.0
71.01386	1.7
72.99317	1.4
73.02953	1.3
75.00883	17.7
78.95921	1.1
85.02967	1.6
89.02459	3.3
89.51266	0.8
98.20695	1.8
111.08169	2.6
117.01960	1.9
121.17937	0.7
125.02444	0.9
134.66077	0.9
135.03026	80.1
136.03363	1.6
136.40416	0.8
160.76938	0.7
165.12877	28.0
166.13214	2.0
183.13927	100.0
184.14304	7.8
186.95668	1.1
209.11761	2.2
227.12915	81.9
228.13278	6.9
248.96036	1.8
276.87045	1.0
290.97073	2.2
306.17908	0.9
345.15579	12.4
345.22787	4.2
345.26611	2.7
346.15970	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2233
Annotation	Dehydrodictysine
Peak:m/z	Relative Intensity
52.15664	1.0
58.02983	13.3
59.01390	1.1
70.02971	3.7
71.54803	1.5
72.00924	9.7
91.05544	5.1
104.74490	0.9
125.83151	1.0
147.04544	39.7
148.04878	2.5
153.58649	1.0
158.26547	1.0
164.07187	100.0
165.07535	5.5
167.14667	1.0
174.09245	4.7
196.17139	3.3
208.17140	2.3
217.81461	1.0
225.09464	1.0
300.23175	2.0
344.22330	84.4
345.22723	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17871	0.5
65.00334	0.9
69.75575	2.5
70.23988	0.5
78.95908	0.6
90.76508	0.5
91.01907	88.9
92.02251	2.8
98.20668	0.6
132.05835	7.8
133.06250	0.5
135.00900	100.0
136.01230	3.8
147.07361	0.5
153.01953	50.2
154.02327	1.7
164.04811	4.8
187.11302	17.9
188.11684	1.3
223.07663	2.0
225.05644	0.8
239.07098	1.2
248.05013	0.6
267.06607	4.9
290.97177	1.0
304.03482	0.5
345.11108	96.4
346.11459	10.3
363.12231	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55552	0.8
52.97881	0.7
59.01383	4.5
69.34367	6.6
69.96185	0.7
71.01379	1.8
84.04543	0.8
85.02933	1.1
89.06078	0.7
99.00903	1.1
101.02457	0.7
116.05083	1.2
116.62285	0.7
118.06634	1.3
119.03773	1.4
120.14135	0.8
121.05385	1.1
122.06119	2.0
124.07672	2.4
129.75439	0.7
131.03801	1.1
132.04564	3.7
133.05354	0.8
134.06175	1.1
135.03101	1.0
135.04504	0.8
144.04561	4.7
145.05365	15.8
146.06200	5.6
147.03267	1.8
148.04053	1.9
152.03537	1.6
159.03320	4.5
160.04057	62.4
161.04840	29.6
162.05510	3.1
164.03539	1.8
175.02818	1.9
176.03537	14.1
177.04315	8.7
178.04991	0.9
181.45990	0.7
183.13896	1.6
188.03577	3.8
189.04333	67.5
189.11499	0.9
190.04837	5.5
192.03015	4.0
193.03828	18.3
194.04114	1.3
197.18027	0.8
203.05879	1.9
220.06142	1.3
221.03421	17.3
221.06923	27.4
222.03752	1.4
222.07231	1.8
245.12999	7.6
246.13268	1.3
253.05960	10.1
269.12988	30.0
270.13196	3.1
285.04077	2.1
285.12411	3.6
300.06378	1.1
313.11972	50.6
314.12399	5.9
315.08765	1.5
345.14569	100.0
345.22653	7.4
346.14810	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	343.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67800	1.1
59.01387	100.0
71.08949	2.6
83.88514	1.1
121.06585	2.1
162.77484	1.1
211.20674	4.0
218.75069	1.3
225.22220	4.1
253.25320	1.8
269.78790	1.4
283.26447	15.9
284.26810	1.8
325.27676	2.7
343.28558	45.4
344.28830	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	343.2857
Annotation	CHEBI:79292
Peak:m/z	Relative Intensity
51.21369	1.0
59.01387	100.0
59.91364	1.1
63.18343	1.4
65.02241	1.0
71.38160	1.9
75.95858	1.2
76.70364	1.2
83.35078	1.2
157.03676	1.1
180.71646	1.1
197.19121	1.7
201.02519	2.9
211.20738	1.5
253.25340	1.8
265.25510	1.4
267.23285	3.0
279.63254	1.3
283.26505	10.7
284.26855	1.9
325.27527	1.7
343.28580	58.2
343.32782	3.0
344.28864	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	343.2857
Annotation	CHEBI:79292
Peak:m/z	Relative Intensity
53.33162	0.5
53.50596	0.5
57.03466	0.8
58.04844	0.5
59.01387	100.0
60.01728	0.6
63.60035	0.6
65.41248	0.5
70.76561	1.3
83.12041	0.6
121.06674	0.6
122.37090	0.6
187.91969	0.7
219.89246	0.6
225.22243	8.9
226.22664	1.0
253.25345	2.9
265.25345	1.8
281.24786	0.9
283.26477	17.1
284.26904	2.3
299.23428	0.8
325.27420	3.5
343.28564	37.5
343.47858	0.8
344.28949	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	343.2855
Annotation	CHEBI:79292
Peak:m/z	Relative Intensity
59.01387	100.0
60.01717	1.4
69.71179	1.6
69.71600	3.2
80.85790	0.7
85.02960	16.8
93.30917	0.7
98.20635	1.6
140.39085	0.8
155.46100	0.7
220.43449	0.8
234.64499	0.8
239.23820	4.7
325.27383	1.2
343.28540	45.0
344.28922	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	343.2492
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.02214	0.6
59.01379	2.3
60.89298	0.6
69.03457	1.5
70.77314	0.7
70.88708	1.2
81.03416	0.7
82.78215	0.6
83.05033	1.6
85.19124	0.6
93.26568	0.6
97.06609	1.1
99.08161	7.5
106.06931	0.7
111.08192	1.0
121.10238	3.6
125.09743	2.4
127.11275	0.9
137.09767	1.2
149.13428	0.8
165.12839	1.2
171.10297	24.8
172.10602	1.5
181.08658	1.0
193.12355	13.8
194.12704	0.9
197.15433	0.8
211.13414	2.7
225.14984	17.7
226.15262	0.8
243.16046	5.6
293.21329	2.3
311.22406	0.7
325.23819	1.6
343.04739	0.9
343.24915	100.0
344.21304	1.0
344.25290	11.3
366.17615	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08681	0.8
59.01385	4.7
59.60618	0.8
69.47102	5.0
101.12697	1.0
112.96017	1.0
119.05060	1.1
121.02924	1.5
121.10247	9.5
125.09730	1.3
127.11286	3.0
137.09789	2.0
139.11317	2.4
153.09230	1.1
165.09225	1.8
171.10289	64.6
172.10635	3.9
201.02588	1.2
207.10332	1.6
226.02823	1.3
285.04037	1.8
286.23981	1.1
313.03583	6.7
328.05850	2.6
343.08447	4.5
343.24921	100.0
344.25281	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	343.2281
Annotation	Beilschmiedic acid C
Peak:m/z	Relative Intensity
52.46360	0.8
54.43652	0.7
55.43118	0.8
57.03448	2.0
59.01115	1.3
59.01388	18.8
69.38157	6.0
83.05035	1.1
91.05520	1.6
93.07124	3.8
97.06573	1.4
98.19977	1.9
106.04253	1.1
111.08195	1.6
119.08683	6.3
121.06615	33.5
122.06958	2.0
145.06645	1.2
161.09714	3.5
178.39128	1.0
221.15517	1.5
225.22385	1.2
231.17430	1.0
259.20624	1.3
279.72778	1.0
283.26437	3.4
284.81464	1.1
299.23840	59.6
300.24118	9.2
301.21768	8.4
343.22803	100.0
343.28479	4.7
344.23111	16.3
344.28992	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2491
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
54.72520	0.6
59.01390	3.0
62.91335	0.5
67.01865	0.7
68.98606	0.6
69.03441	0.7
69.82816	2.2
83.05027	0.7
99.08173	6.5
112.75298	0.6
119.04978	1.1
120.05383	0.6
121.02943	0.7
121.10218	4.0
122.05666	0.7
125.09689	1.7
125.94258	0.6
127.11274	1.0
137.09727	1.3
139.11295	1.4
147.93369	0.7
165.12820	0.7
171.10287	30.8
172.10614	2.1
175.11372	0.8
193.12352	12.2
197.15480	0.7
201.02574	1.4
211.13382	2.4
225.14975	15.4
226.02774	2.2
226.15314	1.7
241.05176	1.4
241.90598	0.7
243.16003	6.3
272.82550	0.6
285.04019	2.8
289.18109	1.5
293.21243	2.1
298.01328	1.1
311.22357	0.6
313.03525	6.8
325.13693	0.9
325.23810	0.6
328.05920	4.3
343.08319	6.6
343.24899	100.0
344.25217	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	343.1401
Annotation	Taxuside
Peak:m/z	Relative Intensity
55.01887	1.9
57.03456	3.1
58.00605	3.3
58.00849	0.6
59.01385	100.0
60.01728	1.0
67.29702	0.6
68.49799	0.5
71.01389	68.6
71.30743	0.8
72.01729	1.3
72.99313	5.4
73.02951	5.0
78.95908	2.9
81.03467	3.2
83.01401	4.1
85.02959	16.7
86.03281	0.7
87.00875	5.8
89.02455	64.4
90.02786	1.3
95.01414	5.6
95.05051	0.8
96.97001	1.2
97.03000	0.7
99.00897	1.0
99.04535	10.0
101.02456	42.1
102.02805	1.1
109.02988	0.8
109.06594	0.7
111.69215	0.6
113.02464	29.1
114.02825	0.9
119.03516	30.0
120.03832	1.0
121.02969	1.8
121.06605	3.4
123.04557	1.0
125.02460	2.3
131.03558	3.1
134.04738	5.5
135.04558	2.3
136.05339	5.2
137.02394	0.7
137.06120	1.0
140.37685	0.6
143.03526	4.7
148.05392	0.7
149.04573	1.9
150.06873	2.2
151.07663	3.2
153.09357	0.6
159.03099	0.9
161.04584	7.7
162.04886	0.6
162.06815	3.4
163.07687	11.3
164.08047	1.0
165.05664	1.0
169.11459	0.5
179.03572	1.9
179.05652	6.8
180.04062	0.8
180.07950	5.5
181.05179	1.4
181.08710	16.6
182.09018	1.1
197.04639	0.8
255.10393	0.7
301.12991	1.3
305.06540	0.9
315.14185	0.9
343.13998	40.2
344.14462	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	343.1401
Annotation	Taxuside
Peak:m/z	Relative Intensity
55.01859	2.1
57.03440	3.8
58.00603	4.3
59.01387	100.0
60.01719	1.6
64.78979	0.9
65.68716	0.8
70.99495	1.8
71.01389	72.3
72.01723	1.1
72.99317	4.9
73.02955	4.4
78.78795	0.9
78.95909	5.7
81.03468	3.4
83.01397	3.3
85.02962	16.2
87.00880	5.4
89.02454	67.5
90.02792	0.9
95.01398	4.1
96.96962	2.3
97.02982	0.8
99.00887	1.9
99.04538	11.0
101.02454	38.7
101.03122	1.9
102.02807	1.6
102.86327	0.9
109.02966	1.5
113.02464	28.9
114.02776	1.3
119.03513	29.3
120.01247	1.3
121.02983	2.2
121.06594	3.7
123.04602	1.2
125.02472	5.3
131.03505	3.7
134.04747	5.6
135.04507	5.4
136.05360	9.2
137.02409	1.7
137.05078	1.2
137.06078	1.6
139.04079	1.2
139.55724	0.8
143.03514	5.3
143.04521	0.7
149.04550	2.5
149.06044	1.4
150.06885	3.4
151.07678	6.0
161.04576	8.5
162.06853	3.8
163.04123	0.8
163.07672	14.4
165.05560	1.7
179.03514	4.1
179.05635	6.8
180.03854	1.2
180.07967	7.1
181.05196	1.6
181.08727	24.3
182.09044	2.0
219.06831	1.3
230.72934	0.8
255.10458	1.1
277.22263	0.8
301.12976	1.4
305.06683	4.4
343.10458	1.6
343.13995	42.2
344.14206	4.5
345.68237	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14045	0.8
59.01384	13.5
70.82887	2.3
71.01392	8.8
78.95916	1.3
83.01403	1.5
85.02959	4.5
87.00891	1.1
89.02456	4.7
93.03500	2.1
95.01404	8.2
101.02451	3.0
101.13628	1.0
107.05061	2.7
108.02168	1.4
109.02958	2.3
111.00920	1.8
113.02467	3.2
115.19250	1.0
119.03503	1.8
119.05048	2.8
121.02973	8.2
123.00905	100.0
124.01722	22.3
125.02477	1.3
128.23564	1.0
133.02898	1.0
134.04665	1.3
135.04544	18.1
136.04868	8.0
137.02454	3.5
137.05077	5.8
137.06061	1.7
138.03247	45.0
138.05566	2.1
139.00415	1.3
139.04047	39.2
140.04362	1.9
149.02432	2.1
151.04042	1.1
153.01982	1.2
156.12442	1.0
161.02460	2.8
161.04564	2.7
162.02820	1.6
163.02762	1.2
163.04010	2.3
164.03583	2.0
165.01932	1.7
166.02719	1.7
170.66209	0.9
179.03459	3.0
181.05130	13.9
193.05013	1.6
197.04510	2.3
210.10020	1.1
220.10771	1.1
249.13733	1.0
251.97810	1.0
269.53046	0.9
271.11682	1.7
343.10199	6.2
343.13876	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65177	1.6
59.01390	9.4
68.11864	1.6
72.37781	1.5
73.14793	1.6
83.05048	1.6
84.34529	1.3
95.01437	1.5
95.05023	2.3
98.19866	3.1
108.02158	1.8
111.00906	5.3
117.03476	2.7
119.05022	7.2
121.02943	3.1
123.04574	2.3
132.05820	7.4
134.03773	8.3
134.04645	1.9
137.02534	1.6
139.07616	2.9
143.05046	13.5
145.02974	6.6
149.02531	1.8
159.04527	71.7
160.05302	11.4
171.04510	2.3
173.06076	2.7
175.04028	3.8
175.07663	77.7
176.08028	4.8
180.81648	1.8
186.03256	4.5
187.04030	20.5
188.04752	2.0
198.03291	3.1
201.02412	3.0
203.07127	2.3
209.11839	2.5
214.02621	1.9
214.09814	1.5
215.03477	10.7
216.04016	1.8
217.05058	4.2
225.02031	3.2
229.12355	7.0
230.05841	26.3
234.05325	7.1
242.02275	3.8
242.09462	1.6
253.01460	43.0
254.01872	3.1
257.11859	7.0
268.03821	2.7
270.01718	10.5
274.04797	4.4
281.00912	26.3
281.11832	2.8
282.01556	3.5
283.18973	2.0
285.04077	5.9
296.03256	20.2
297.00439	5.5
297.03745	3.5
298.01199	84.2
299.01611	10.6
299.12909	100.0
300.13248	12.5
311.05710	17.0
313.03552	72.1
314.04025	8.4
328.02100	2.9
328.05899	41.8
329.06351	5.2
343.04724	2.8
343.08261	56.1
343.11899	6.4
343.15140	2.8
343.21390	3.3
343.24838	3.7
344.08627	7.2
355.04666	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	343.1039
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
52.48531	0.2
56.82133	0.2
57.03449	0.7
59.01382	2.9
65.00332	0.8
67.01900	0.3
71.01396	0.7
71.05043	0.8
73.02950	0.5
75.13910	0.2
78.95908	0.9
80.31683	0.2
81.03468	4.8
83.01396	1.1
89.02461	0.3
93.03457	0.5
95.01432	0.2
95.05047	3.0
96.29694	0.2
97.02958	3.2
99.59361	0.2
103.29022	0.3
107.01427	1.2
109.02980	0.4
109.06596	0.4
113.06142	0.3
118.06598	0.3
119.05010	2.3
119.06945	0.2
121.02984	0.3
122.03768	1.2
125.02468	6.2
133.03008	0.3
134.04764	1.5
135.04547	0.3
137.06102	31.2
138.05553	0.6
138.06473	1.3
139.04022	0.5
139.05984	0.4
149.02507	0.7
151.00395	2.4
161.04684	0.3
161.06097	0.3
163.00400	0.7
163.04054	0.6
165.01947	0.6
177.01884	0.5
181.05089	100.0
182.05417	5.6
190.02731	0.4
205.05064	0.7
223.02545	0.6
223.06165	0.7
271.06113	0.9
283.06284	0.3
343.04272	0.5
343.08066	4.0
343.21576	0.3
344.08533	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.4
59.01374	2.2
61.53245	0.8
65.52406	0.8
70.35416	1.7
78.87073	0.9
84.02170	0.8
85.02931	1.5
90.15203	0.8
95.05019	1.2
97.06591	2.0
108.04542	1.9
119.03783	1.9
136.04050	16.6
147.03288	12.9
149.02460	1.1
171.10312	5.4
198.03166	1.6
203.02237	4.3
209.11841	1.0
211.13437	4.5
214.02789	2.2
229.14436	5.1
235.01233	0.8
237.14925	4.0
242.02240	12.1
243.02562	1.5
253.01250	1.2
257.04581	4.7
263.10507	1.1
269.00891	1.3
270.01727	8.6
275.10379	3.1
281.01328	1.0
285.04123	12.0
286.04425	1.7
297.00397	5.7
298.01205	100.0
299.01645	9.3
299.05209	1.6
300.06281	4.7
313.03571	74.6
314.03934	8.3
325.08249	3.9
325.20206	2.6
327.05280	1.1
328.02658	1.7
328.05890	47.7
329.06329	5.6
343.08316	60.8
343.21307	30.6
344.08627	8.0
344.21536	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.7
65.56161	0.7
71.01400	4.9
71.53668	1.2
71.54043	0.8
72.99322	1.2
75.42355	0.6
78.95923	0.9
83.01390	1.5
84.98048	0.7
85.02951	2.1
89.02454	2.9
93.03478	1.3
95.01406	6.6
101.02447	3.2
107.05045	0.9
108.02174	0.9
109.02946	1.5
111.00918	1.3
113.02454	1.7
119.03528	1.0
119.05037	2.6
121.02988	4.4
122.03777	0.9
123.00903	100.0
124.01714	27.7
125.01939	0.8
135.04541	9.1
136.04858	3.8
137.02477	1.9
137.05058	2.0
137.06076	1.2
137.99625	0.8
138.03246	48.0
139.00426	1.1
139.04042	42.6
140.04353	1.7
149.02499	1.7
150.03258	1.1
151.04028	1.6
161.04645	0.9
163.04089	1.4
164.03526	1.1
165.01932	1.6
166.02711	2.0
178.02751	1.0
179.03539	1.6
179.05727	0.8
181.05078	9.6
193.05093	1.4
271.11813	1.1
283.08133	0.9
287.06241	0.7
343.10376	4.9
343.14047	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0827
Annotation	FR 901235
Peak:m/z	Relative Intensity
52.48229	0.6
59.01377	1.6
69.23987	4.2
70.67660	0.5
75.60314	0.5
77.26611	0.5
83.01391	0.5
98.19930	1.1
119.05051	0.9
135.04549	0.6
158.00618	0.5
165.01985	0.7
170.03764	1.6
171.10258	0.8
174.03323	0.7
186.03285	0.9
196.89265	0.6
198.03253	2.1
213.01913	0.7
213.05521	1.0
214.02718	3.2
226.02725	1.5
229.05121	0.6
232.80368	0.5
241.05067	0.6
242.02231	69.2
243.02585	5.4
253.01450	1.3
254.02228	0.6
255.03212	0.5
257.04584	36.7
258.04922	3.8
269.00912	1.8
270.01743	11.1
271.01941	1.5
281.00879	2.2
282.01566	0.9
285.04083	56.7
286.04443	6.7
296.03339	3.5
297.03922	2.4
298.01276	2.5
299.05405	0.7
300.06430	23.5
301.06833	2.6
312.02820	3.6
313.03571	11.1
314.03894	0.6
315.08734	3.8
327.05157	2.0
328.05908	68.3
329.06238	8.0
343.08261	100.0
343.21320	2.7
344.04474	0.9
344.08566	11.7
344.12546	0.9
357.27161	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56510	0.2
56.46649	0.3
59.01388	85.0
60.01728	0.8
69.77083	0.5
69.77482	0.9
82.18309	0.3
110.33689	0.3
113.04585	0.5
157.03583	7.2
158.03755	0.7
159.01540	2.0
201.02583	100.0
202.02748	10.5
343.03854	1.8
344.03922	0.7
367.43506	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84212	0.4
52.90611	0.4
57.03450	1.1
59.01371	0.8
69.03459	0.8
71.01381	1.0
71.05031	24.2
72.05355	0.7
73.02954	1.4
81.03448	0.9
81.62230	0.4
83.05033	2.7
85.21227	0.4
89.02460	0.5
98.03729	0.7
110.03711	0.6
122.01000	0.4
128.76079	0.4
130.76057	0.4
141.98042	0.4
160.98305	0.5
174.90915	0.4
185.00630	0.6
267.27008	3.8
281.28525	30.0
282.28815	2.6
305.28287	0.8
323.29568	14.0
324.29977	1.8
325.27594	0.7
341.30637	100.0
342.30969	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	342.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52096	0.3
58.02974	0.8
59.01382	0.8
68.81963	0.2
72.00917	10.8
91.05552	0.7
103.05537	1.4
109.56777	0.3
118.11210	0.3
121.51150	0.3
147.04552	37.1
148.04858	1.7
151.65723	0.3
164.07191	100.0
165.07545	5.3
165.22342	0.3
231.67990	0.3
298.21835	0.4
342.20776	11.9
343.21243	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05365	0.8
59.01382	2.7
69.03464	1.2
69.37111	4.2
69.37520	1.3
70.03797	0.7
83.34281	0.6
84.02179	7.4
85.02516	2.1
86.05890	0.6
97.02966	1.2
97.06593	4.7
98.06919	2.7
99.04549	2.0
119.05066	5.1
120.05379	4.5
121.02994	1.1
125.09721	1.1
126.10080	1.1
130.08791	0.8
165.12828	0.7
169.06882	0.7
171.10275	14.8
172.10631	11.5
173.10794	1.1
183.13821	0.7
193.12396	4.7
194.12752	7.1
195.34772	0.7
211.13365	2.1
212.13730	1.7
215.03568	1.2
221.08147	1.3
222.08604	3.0
222.12149	0.8
225.14978	6.6
226.15318	10.8
229.14510	0.9
230.05840	0.8
240.09631	0.8
243.15938	1.4
244.16335	4.9
254.14879	1.2
274.19211	0.9
285.04068	0.7
292.19843	1.8
299.12839	2.6
312.59949	0.8
313.03735	1.0
314.13660	1.2
324.22778	0.7
342.14618	11.7
342.23694	100.0
343.08109	1.9
343.15164	1.5
343.24094	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	341.2488
Annotation	Nostocyclyne A
Peak:m/z	Relative Intensity
55.88805	0.8
57.40543	0.6
59.01374	2.0
69.59372	1.1
69.59788	3.8
71.01381	1.1
71.05033	7.8
73.02953	0.7
87.11344	0.7
88.46860	0.8
89.02467	1.3
91.93481	0.6
101.02486	0.7
108.02223	0.8
111.96744	0.7
113.02395	0.7
122.03761	27.0
123.00976	0.9
123.04064	1.2
124.01692	1.4
124.71182	0.6
135.04541	19.6
136.01675	5.7
136.05264	0.7
149.06073	3.1
177.09174	3.4
191.10756	2.4
191.72015	0.6
205.12308	2.1
219.14006	0.9
267.27014	1.1
281.28503	7.6
282.28827	1.3
311.19992	1.0
323.29608	4.1
324.29791	1.0
325.21674	1.1
339.23404	4.0
340.23813	0.9
341.24805	100.0
341.30560	31.2
342.25204	13.4
342.30896	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3065
Annotation	1-O-Octadec-9-enyl glycerol
Peak:m/z	Relative Intensity
59.01375	1.1
59.63977	0.5
65.89213	0.5
69.03464	0.9
69.72400	0.5
70.59800	1.0
71.05029	28.7
73.02955	1.4
83.05044	1.0
83.68652	0.5
89.02470	1.0
93.03442	0.6
99.22038	0.5
101.02438	0.5
185.00739	1.0
267.26859	4.1
281.28528	31.0
282.28900	3.8
305.28424	1.0
323.29568	15.2
324.29987	1.9
341.20120	2.9
341.30634	100.0
342.30942	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74055	0.7
50.94565	0.7
57.03437	0.7
59.01386	9.3
63.96233	1.2
65.03972	5.7
67.01903	0.7
69.03465	2.8
70.64204	1.8
71.01393	4.6
76.97022	1.7
79.05523	0.7
79.95737	1.9
81.03463	0.7
81.81585	0.6
83.05030	1.6
83.41658	0.6
84.02190	2.2
85.02959	1.0
89.02454	6.4
90.87086	0.6
91.01910	2.3
93.55239	0.6
95.05051	1.2
97.03010	0.7
97.06603	12.4
99.04504	0.9
100.04040	2.9
101.02438	2.6
107.05039	9.6
109.02978	4.8
111.28756	0.7
113.02441	2.0
119.03490	2.1
119.05023	2.2
121.03014	0.7
125.09701	1.3
132.05806	2.4
134.03731	0.8
135.00920	4.4
137.09746	1.6
143.03476	1.1
143.89444	0.7
149.13330	0.7
151.04025	56.1
152.04367	2.6
153.01929	2.3
161.02470	1.3
161.04535	0.7
164.03882	16.8
165.12901	1.3
166.26926	0.7
171.10298	7.8
175.11238	1.5
177.01974	2.1
177.09282	0.8
179.03374	0.9
179.05649	2.1
183.13976	1.2
185.11855	0.7
186.03262	0.8
187.11311	6.1
189.09222	2.7
193.12347	18.5
194.12695	0.8
211.13342	4.3
219.06586	0.8
220.07393	1.2
221.11810	1.6
223.16957	0.9
225.14983	24.3
226.15370	1.5
234.18684	0.8
243.16028	10.7
253.14508	1.3
261.96106	0.8
291.19736	1.1
305.21341	0.7
323.12982	5.7
324.13251	1.4
326.11630	2.4
341.10596	2.1
341.14410	9.9
341.23346	100.0
342.14017	1.6
342.17514	2.7
342.23688	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	341.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93550	1.4
51.93305	1.2
58.02716	2.1
58.02980	27.8
59.01386	15.6
69.30444	5.2
69.30882	6.5
70.02988	36.5
71.01395	12.2
71.02497	3.7
72.00942	1.4
81.81429	1.4
85.02991	1.7
85.40498	1.2
87.05638	3.7
89.02457	11.7
95.02515	2.6
96.00926	65.0
101.02453	5.0
113.02431	3.1
113.03593	23.0
114.01987	50.6
119.03490	4.6
119.04243	1.3
131.03691	2.3
131.04643	28.4
143.03525	1.5
153.29602	1.4
165.12872	3.2
169.12245	1.3
179.05585	5.2
182.15527	53.7
183.15839	4.3
189.01944	1.7
208.13423	3.3
208.17097	6.4
217.01292	1.7
225.16090	15.4
226.14508	58.0
227.14894	1.9
235.18181	2.0
236.16588	2.2
253.05060	3.4
253.19087	2.6
255.02924	3.8
279.17166	26.3
280.17581	2.5
283.02499	2.3
297.04080	3.8
297.07309	1.3
297.18167	1.9
298.04794	3.8
305.15097	1.7
318.35690	1.8
323.16095	25.7
341.06461	6.7
341.10648	5.7
341.17157	100.0
342.17471	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	341.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43677	0.7
59.01385	6.7
60.14667	0.8
65.03960	2.6
67.01895	1.4
69.03469	2.1
70.94610	1.3
70.94916	1.0
71.01382	5.2
73.45338	0.8
80.28618	0.8
83.05042	1.6
84.02179	9.9
85.02965	1.5
85.58158	1.1
88.96358	0.8
89.02456	5.0
91.01908	1.0
97.02940	3.0
97.06601	7.9
99.04541	2.2
101.02450	2.4
107.05067	1.0
108.02168	1.3
109.02966	12.0
110.03294	5.6
111.03452	3.0
113.02463	2.9
115.03190	1.0
119.03534	2.3
119.05033	11.5
119.08619	1.0
120.05352	2.3
121.02950	1.0
123.00896	2.3
123.08154	0.9
124.01218	1.1
125.09697	1.6
130.08727	1.3
135.00885	1.5
137.09706	1.1
149.02429	1.2
161.02454	0.9
164.00742	1.1
171.10291	25.4
172.10629	1.3
177.09166	1.4
179.05640	2.0
181.50821	0.9
183.13918	2.4
193.12363	10.8
194.12770	1.3
211.13463	4.2
221.08194	4.5
221.11862	1.0
225.14973	17.5
226.15269	1.0
239.09352	1.0
243.06177	1.1
243.16061	6.5
253.14638	0.8
281.05951	1.1
291.19672	1.8
312.13162	1.6
313.13538	18.0
314.13898	1.1
323.22461	1.2
339.69846	0.9
341.06931	1.6
341.13705	23.1
341.23361	100.0
342.14297	1.9
342.23715	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	341.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07149	0.6
59.01390	6.0
71.01391	5.3
79.13010	0.7
85.02978	0.8
89.02456	6.2
90.02790	0.8
91.01899	0.9
93.03477	6.6
95.05022	1.7
101.02422	2.7
107.05024	1.0
108.02182	0.7
109.02995	1.1
113.02457	1.8
119.03498	1.4
119.05025	2.0
119.08668	1.8
119.64317	0.7
121.02944	1.0
122.03743	2.4
130.04243	0.8
131.08640	1.0
133.22325	0.8
135.04535	1.7
136.05377	3.3
145.06606	2.2
146.07286	1.1
150.03221	1.7
157.06607	2.6
161.02431	1.0
161.09709	3.9
163.04019	7.1
163.07668	11.6
164.03516	1.4
164.04814	17.4
171.10284	1.7
173.09703	1.6
175.04036	7.4
175.07677	1.7
179.05582	1.8
187.07642	2.6
189.05553	4.0
190.06409	1.3
196.03726	1.5
199.07675	1.0
205.08711	100.0
206.09041	7.5
217.08720	11.7
218.08949	0.7
221.11856	0.8
228.98366	0.7
235.09773	81.4
236.10083	6.3
247.09819	1.3
261.61234	0.8
275.01859	0.7
311.13013	1.6
336.16156	0.7
341.14001	56.3
341.22830	3.8
342.14249	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	341.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.0
57.03446	2.9
57.77131	0.9
58.00594	3.9
59.01386	100.0
60.01720	1.1
71.01392	71.8
72.01725	1.5
72.99334	5.4
73.02973	5.0
75.00877	1.2
83.01400	5.7
85.02958	17.1
87.00879	4.1
88.63806	0.9
89.02456	74.7
93.03441	1.5
95.01405	5.9
99.00893	3.6
99.02758	1.0
101.01806	2.2
101.02460	41.8
103.12948	1.0
113.02460	28.0
119.03518	30.7
119.04964	2.7
120.01259	3.0
131.03519	3.1
134.03758	2.2
135.04561	1.5
135.80106	1.1
137.02457	4.5
143.03496	5.3
149.02441	1.7
149.04587	3.3
161.02480	1.3
161.04585	3.0
163.04013	2.2
167.09067	5.0
177.04060	3.7
179.03505	1.7
179.05609	7.7
195.05136	3.3
211.07903	3.0
255.06973	1.3
257.00955	1.1
274.37305	1.1
322.21054	1.0
341.11246	4.6
341.16132	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	341.1397
Annotation	Drypetenone C
Peak:m/z	Relative Intensity
53.07149	0.6
59.01390	6.0
71.01391	5.3
79.13010	0.7
85.02978	0.8
89.02456	6.2
90.02790	0.8
91.01899	0.9
93.03477	6.6
95.05022	1.7
101.02422	2.7
107.05024	1.0
108.02182	0.7
109.02995	1.1
113.02457	1.8
119.03498	1.4
119.05025	2.0
119.08668	1.8
119.64317	0.7
121.02944	1.0
122.03743	2.4
130.04243	0.8
131.08640	1.0
133.22325	0.8
135.04535	1.7
136.05377	3.3
145.06606	2.2
146.07286	1.1
150.03221	1.7
157.06607	2.6
161.02431	1.0
161.09709	3.9
163.04019	7.1
163.07668	11.6
164.03516	1.4
164.04814	17.4
171.10284	1.7
173.09703	1.6
175.04036	7.4
175.07677	1.7
179.05582	1.8
187.07642	2.6
189.05553	4.0
190.06409	1.3
196.03726	1.5
199.07675	1.0
205.08711	100.0
206.09041	7.5
217.08720	11.7
218.08949	0.7
221.11856	0.8
228.98366	0.7
235.09773	81.4
236.10083	6.3
247.09819	1.3
261.61234	0.8
275.01859	0.7
311.13013	1.6
336.16156	0.7
341.14001	56.3
341.22830	3.8
342.14249	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	341.1396
Annotation	Drypetenone C
Peak:m/z	Relative Intensity
56.79750	0.5
59.01385	3.3
59.83031	0.5
65.60105	0.5
71.01385	2.1
71.05025	0.6
84.02174	2.5
85.02961	0.5
89.02448	2.1
91.05538	4.7
93.03456	1.6
97.02958	1.0
98.19891	1.7
108.76225	0.5
113.02503	0.5
119.05041	100.0
120.05373	14.5
121.02971	10.0
121.05682	3.6
123.08195	4.8
130.08766	0.9
136.01610	0.6
145.02986	1.7
145.06598	0.7
162.03194	0.6
163.04111	0.6
165.01979	2.2
171.10284	7.2
177.09233	7.9
178.09557	0.6
179.05655	0.9
189.05551	0.8
190.06038	0.8
196.65474	0.5
219.06641	1.3
220.06973	3.3
221.08286	29.0
222.08597	2.3
225.14938	1.0
233.79190	0.6
235.09772	1.5
239.09361	5.1
243.54314	0.6
299.12921	1.0
311.11984	0.9
334.72577	0.6
341.13876	97.0
341.23184	14.4
342.14243	10.8
342.23764	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1091
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
52.22059	0.8
57.03441	2.1
58.00598	4.1
59.01387	100.0
62.27420	0.7
69.34732	2.9
69.35149	2.9
71.01389	64.0
72.01720	0.9
72.99321	2.4
73.02950	2.3
83.01386	2.2
85.02969	9.0
87.00906	4.3
89.02455	85.2
90.02801	1.9
95.01391	3.9
98.19920	1.3
101.02455	30.8
107.05007	1.1
113.02466	28.5
119.03521	31.5
125.02483	4.5
131.03500	5.4
135.04539	1.1
137.02434	1.2
143.03531	7.2
149.04578	5.7
161.04596	8.2
167.03580	0.8
179.03854	1.7
179.05617	26.8
189.32619	0.8
217.10931	0.8
219.06592	1.2
291.47845	1.0
305.06683	3.4
341.06717	1.8
341.10919	32.8
342.11267	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	341.1396
Annotation	Drypetenone C
Peak:m/z	Relative Intensity
51.40797	0.7
57.03441	2.0
59.01357	1.2
64.02706	0.7
65.00338	3.5
69.65495	3.4
81.03465	28.6
82.03788	1.1
83.01395	12.4
89.02469	1.0
93.03463	0.8
98.20606	1.3
106.04253	1.2
107.01389	2.5
108.01740	1.1
123.04539	41.0
124.04866	1.3
125.02459	14.7
132.05820	5.9
133.06146	1.5
135.04527	1.2
149.02461	0.9
151.00362	5.1
152.00728	3.2
153.00868	2.7
161.09753	5.1
164.04803	2.4
166.02710	1.2
167.03513	100.0
168.03836	4.6
179.03520	4.7
183.01283	0.7
187.11313	14.3
188.11607	2.9
189.11960	1.9
257.11868	1.8
341.13928	53.6
342.14282	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	341.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.1
66.13530	0.3
70.12537	1.4
71.01394	2.8
72.99324	0.4
75.00878	1.6
83.01412	0.4
85.02946	0.9
87.00906	0.5
89.02445	2.9
92.28699	0.4
101.02477	1.3
107.01419	0.5
107.05034	1.2
113.02472	0.8
118.88072	0.4
119.03540	0.9
119.05058	2.0
129.02007	0.7
134.03751	3.1
135.04549	100.0
136.04878	4.6
151.00383	1.7
163.04039	2.5
177.04138	0.6
179.03525	78.4
180.03864	4.2
180.52077	0.4
195.05168	4.3
225.01151	0.3
239.09341	0.4
313.05649	0.5
341.08560	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	341.109
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
55.01878	1.5
55.36658	1.0
58.00587	3.8
59.01385	100.0
60.01725	1.2
66.98121	1.0
69.66474	4.5
71.01388	68.5
72.01759	1.3
72.99309	3.8
73.02944	2.1
74.98507	1.2
83.01361	1.1
85.02953	7.0
87.00876	3.5
89.02454	80.3
90.02764	2.8
95.01409	3.8
101.02448	33.2
102.02796	1.3
113.01641	1.1
113.02457	26.9
119.03507	29.4
125.02388	2.0
129.41747	1.0
131.03497	3.8
143.03514	8.2
145.91722	0.9
149.04530	4.9
161.04601	9.8
179.05627	32.0
325.58731	1.1
341.10867	29.5
342.11230	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.109
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
55.01883	1.1
57.03448	1.8
58.00597	4.0
59.01386	100.0
60.01728	1.7
69.34634	2.7
69.35038	1.4
71.01390	65.1
72.01745	1.2
72.99303	3.3
73.02968	1.8
83.01404	2.5
84.19644	0.5
85.02965	9.2
87.00896	3.9
89.02454	78.5
90.02800	1.2
95.01399	4.9
97.02979	0.5
100.54048	0.5
101.02450	31.2
102.02808	1.0
113.02464	25.3
114.02835	0.6
119.03515	30.5
120.03876	0.8
125.02443	0.9
131.03511	4.5
143.03522	7.8
143.89702	0.5
149.04572	3.3
161.04587	8.1
179.05623	30.9
180.06070	1.3
331.23395	0.6
341.10898	35.1
342.11295	3.4
343.03421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.088
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
54.13498	0.5
59.01394	5.0
70.27953	0.8
70.28325	1.2
71.01386	3.5
75.00864	0.6
85.02976	0.8
85.48731	0.5
87.00878	0.6
89.02454	3.5
101.02441	1.6
105.03493	0.5
107.05011	1.7
113.02438	0.8
117.03517	0.5
119.03495	1.1
119.05061	1.3
119.62095	0.4
128.68594	0.6
131.03477	0.6
133.02968	6.4
134.03758	3.5
135.04539	100.0
136.04875	4.7
143.03488	0.6
161.02458	21.2
161.04507	0.9
162.02812	1.3
163.04054	1.4
177.01947	1.7
178.02321	1.4
179.03523	88.7
180.03871	5.5
195.05133	1.6
203.03474	0.5
221.04483	0.9
305.06790	0.5
341.08487	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	341.0881
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
58.02877	0.4
59.01384	1.1
69.23555	1.8
69.23985	2.1
71.01394	0.7
84.76265	0.4
84.89012	0.4
89.02455	0.5
91.05568	0.5
107.05052	0.8
119.03534	0.6
130.71017	0.5
134.03781	2.6
135.04546	100.0
136.04871	4.5
139.87578	0.4
148.73749	0.4
179.03522	90.0
179.33458	0.4
180.03845	4.8
195.05115	0.8
222.50664	0.4
341.08841	3.3
342.09369	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	34.2
69.33443	100.0
69.33707	9.2
79.90539	12.3
98.09835	11.5
106.87695	10.7
113.83261	9.0
118.23238	14.0
119.05046	84.4
120.05462	15.5
123.82119	11.3
126.18077	12.1
133.06615	17.4
135.04546	14.7
151.00372	11.8
179.24782	11.4
183.01212	18.2
187.11256	17.9
193.07149	12.4
207.12581	11.1
219.06606	20.2
249.90604	14.1
339.12012	53.5
339.16418	57.1
339.20032	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	339.233
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
54.69869	0.5
55.99152	0.5
66.29224	0.7
69.50616	0.5
69.57558	1.2
69.57981	2.3
77.96841	0.6
96.89938	0.5
118.16302	0.5
163.11307	100.0
164.11649	6.7
168.11375	0.5
182.32770	0.6
192.70923	0.6
194.60965	0.5
272.13730	0.5
339.23312	86.8
340.23636	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	340.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52475	0.1
56.85381	0.2
58.02985	3.0
59.01390	0.8
65.00336	0.5
65.80846	0.1
71.01395	0.5
71.11225	0.1
71.53876	0.1
72.00915	10.0
89.02464	0.6
91.05548	0.7
98.89799	0.1
101.02488	0.2
103.05537	0.7
107.01409	0.3
108.02155	0.2
113.02476	0.2
114.26112	0.1
118.06660	0.4
119.03423	0.2
119.05033	1.4
120.05390	0.5
135.04547	6.1
136.04858	3.6
146.06143	0.2
147.04538	37.0
148.04878	2.0
149.13370	0.5
151.00381	0.9
152.00725	0.4
158.06886	0.2
159.08266	0.2
160.08566	0.2
161.02438	0.2
164.07181	100.0
165.07542	4.6
179.05652	0.2
192.13989	0.2
196.00128	0.4
197.00392	0.3
199.00636	0.3
203.07193	0.5
204.07539	0.8
220.07021	0.2
221.08243	0.6
222.08574	1.2
230.08931	0.2
270.05405	0.7
271.05704	1.9
297.97366	0.1
312.13193	0.2
340.12881	3.8
340.19183	11.0
341.10223	0.2
341.19647	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.3
59.12554	0.3
67.01893	0.9
71.55331	0.5
89.03992	0.6
91.01902	0.5
91.05547	0.8
93.03477	0.9
100.06008	0.3
113.08542	0.3
117.03481	13.2
118.03821	1.0
119.05041	100.0
120.05373	5.4
121.03026	0.5
130.08723	0.4
135.04562	0.7
145.02992	1.3
157.06615	2.2
161.02461	25.7
162.02818	1.1
175.03996	0.8
177.01811	0.4
179.03481	3.2
195.08128	0.7
201.05602	3.0
202.84267	0.3
219.06622	2.9
237.09210	1.1
239.07214	1.0
267.06677	0.7
274.47644	0.4
281.08221	13.4
282.08521	1.4
297.11322	0.4
321.11343	1.0
334.27213	0.3
339.12381	73.5
340.12738	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	339.124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39204	0.2
58.61287	0.2
59.01384	0.4
69.23735	2.1
89.03994	0.4
91.01881	0.3
93.03474	1.0
105.03492	0.8
107.05070	0.3
109.03009	0.3
117.03487	5.6
119.05039	100.0
120.05371	4.9
121.02970	0.9
129.07126	0.5
135.00784	0.3
135.04556	0.3
136.01727	0.3
145.02965	2.4
147.04555	0.4
149.02463	0.8
157.06599	7.7
158.06953	0.6
161.02458	10.2
162.02876	0.4
167.03528	0.5
175.07701	0.4
179.03491	1.2
195.08173	0.6
197.06058	0.3
201.05602	7.2
202.05936	0.4
208.05350	0.6
209.06110	0.3
211.07652	0.5
215.07108	0.3
219.06606	1.9
221.06189	0.3
222.06844	0.4
225.05579	1.5
237.09422	0.4
237.86739	0.2
239.07147	0.9
242.30940	0.3
261.09152	0.3
267.06638	14.9
268.07056	1.2
274.15945	0.2
281.08218	8.0
282.08517	0.9
321.11310	5.2
322.11710	0.5
339.12387	70.4
340.12717	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	339.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84168	0.4
60.08649	0.4
63.27212	0.4
69.52486	1.8
69.52913	1.1
91.01909	7.8
99.03391	0.5
102.04232	0.4
105.69067	0.4
108.02180	1.4
109.02965	5.6
119.05038	60.7
120.05372	2.8
133.06602	2.6
135.00896	17.0
136.01196	0.6
145.07828	0.4
148.01666	3.8
153.01962	2.8
180.00673	1.2
180.05836	0.6
181.06596	1.4
183.04529	1.1
185.09763	2.4
186.57257	0.4
195.08176	0.5
197.06053	2.9
199.07574	0.8
203.10788	2.5
208.05342	1.3
211.04124	0.5
211.35347	0.4
221.06116	1.2
223.07672	7.6
224.07831	0.5
225.05589	6.6
226.26428	0.5
227.07526	0.4
231.63310	0.4
239.07144	0.6
249.05695	0.7
267.06641	15.9
268.07104	2.2
295.13449	0.7
297.11371	1.9
321.11377	0.8
339.12381	100.0
340.12692	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	339.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94603	0.5
63.02404	9.3
65.00013	1.0
65.00336	15.8
69.70847	2.1
69.71258	1.2
83.01401	9.1
106.04252	2.6
107.01405	18.0
108.72618	0.6
125.02468	1.4
125.40580	0.6
132.05833	27.4
133.06165	2.1
145.33401	0.6
151.00392	47.4
152.00735	1.4
157.94618	0.7
161.09727	5.0
161.32709	0.6
162.10175	0.6
164.04829	8.5
165.01910	1.6
165.05061	1.1
165.99243	0.5
177.01945	5.3
187.11317	44.4
188.11638	3.0
254.69907	0.6
273.45810	0.6
302.25516	0.7
339.12399	100.0
340.12689	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	339.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20098	0.6
63.02406	1.5
65.00329	6.9
68.98879	0.5
68.99843	0.9
78.15999	0.6
83.01431	0.9
93.03470	4.2
103.72929	0.7
109.06605	2.6
110.06921	0.6
117.03460	0.6
119.05042	50.7
120.05409	2.8
131.08731	1.2
133.06616	15.0
134.06943	1.3
145.02957	1.5
151.07674	5.0
156.05794	0.7
175.07620	4.6
176.01178	3.8
177.01697	1.0
185.06152	0.7
187.04022	1.6
191.07114	1.6
193.08688	0.7
219.06647	40.3
220.06943	3.7
228.57423	0.6
233.08203	2.1
237.07285	0.6
241.32509	0.6
245.08189	1.4
267.57181	0.7
295.13416	1.1
339.12405	100.0
340.12711	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	339.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80196	0.7
52.05532	0.7
52.86494	0.8
55.17102	0.7
57.25077	0.8
63.02391	3.4
63.02699	0.7
65.00333	8.6
68.99829	1.4
76.52558	0.8
93.03471	7.1
103.97447	0.7
105.07092	0.8
107.05011	0.8
109.06600	4.8
119.05042	78.3
120.05381	3.2
130.74265	0.8
131.08667	2.8
133.02939	0.8
133.06610	21.1
134.06932	1.7
135.00871	1.1
136.01732	1.2
137.02455	1.5
143.15672	0.8
145.02960	2.0
148.42650	0.8
149.02513	0.9
149.06071	1.5
151.07664	8.7
161.02470	0.8
164.01122	1.0
175.07640	8.3
176.01151	6.7
177.01863	1.1
187.03979	1.5
191.07159	2.1
193.08672	1.0
203.10802	1.0
219.06631	52.9
220.06894	4.5
233.08147	2.8
245.08192	3.3
295.13303	1.0
339.12390	100.0
340.12656	12.2
340.16495	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
70.58086	2.5
90.26943	0.8
105.03470	28.0
107.05048	1.0
109.02930	0.9
119.05038	100.0
120.05360	5.1
121.02951	1.2
132.06871	0.9
135.04546	9.7
135.48236	0.8
136.01689	3.6
143.36195	0.7
144.19249	0.8
145.02971	1.2
148.17793	0.7
149.02452	22.9
150.02768	1.4
157.06619	6.2
162.03244	2.5
163.00381	3.3
163.04034	2.4
167.03494	6.5
180.82036	0.8
194.02238	1.3
201.05612	3.8
203.07112	2.8
219.06635	16.9
220.07053	1.1
221.08252	1.2
237.07610	1.7
261.37408	0.8
267.06659	2.2
268.07443	1.5
269.08221	9.1
283.06223	1.5
310.50760	0.8
321.11292	5.5
339.12390	87.3
340.12744	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	339.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02403	5.5
65.00330	12.9
68.09917	0.5
69.11781	0.5
70.28390	2.3
70.51222	0.6
83.01400	7.6
106.04283	1.1
107.01401	14.4
108.01701	0.7
125.02472	1.2
132.05826	17.4
133.06163	0.7
151.00381	70.6
152.00732	3.3
161.09705	4.6
164.04811	5.1
165.01962	1.7
168.95009	0.6
169.01436	1.4
177.01920	5.1
187.11301	42.8
188.11653	3.9
199.03946	0.8
245.14381	0.6
253.12213	0.6
255.10324	1.0
258.96201	0.7
261.93878	0.6
288.25369	0.6
295.13394	0.9
339.12381	100.0
340.12711	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	339.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31948	0.2
64.36134	0.2
65.00334	0.4
72.96468	0.2
90.82622	0.2
91.01904	23.1
92.02244	0.6
108.02177	0.4
109.02943	0.3
109.23302	0.2
112.45863	0.2
119.05038	1.7
132.05794	1.5
133.06609	100.0
134.06953	5.0
135.00896	43.0
136.01244	1.9
148.01659	1.6
153.01961	11.9
154.02388	0.3
159.04546	0.2
164.04733	0.4
169.06612	0.7
180.00673	0.6
183.44119	0.2
185.09740	5.2
186.10153	0.2
203.10791	12.6
204.11122	1.4
262.43463	0.2
268.07410	0.7
269.08206	6.7
270.08530	0.6
321.11368	1.0
339.12375	45.3
340.12723	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	339.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64537	0.4
69.34550	0.3
71.01357	0.7
77.04315	0.3
91.01907	3.0
93.03448	0.4
105.69759	0.4
112.54339	0.3
119.05040	100.0
120.05367	4.7
135.00891	3.7
145.06606	0.6
153.01929	0.5
177.09250	0.5
185.09746	0.6
192.52557	0.3
203.10858	0.7
210.29549	0.3
246.92709	0.4
297.11398	0.7
339.12387	39.2
340.12704	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	339.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90947	0.2
57.03452	0.6
69.42517	1.8
91.05553	0.4
93.03473	0.9
98.19914	0.5
102.20349	0.2
106.04263	1.2
117.03500	1.2
117.07155	0.2
118.03784	0.2
119.05045	100.0
120.05372	4.0
130.04269	4.1
131.05095	0.3
133.06544	0.3
136.01703	0.5
136.24716	0.3
143.05057	1.1
145.03000	1.5
145.06612	7.0
146.06964	0.5
147.08189	1.3
147.23300	0.2
149.02516	0.4
157.06598	1.7
159.04541	0.3
160.05324	0.5
161.02440	1.0
162.03217	0.4
163.07719	0.7
173.06148	0.6
174.03241	0.5
175.07693	1.1
187.04019	0.7
188.04785	0.2
189.05592	5.7
190.05907	0.5
191.07147	0.9
194.02135	0.2
201.05598	1.5
203.07159	0.7
207.06619	1.6
215.07138	0.3
219.06641	30.4
220.06976	1.3
237.07689	4.3
267.07355	0.3
267.10266	0.3
279.06747	0.4
309.11325	2.3
321.11307	0.5
339.12396	53.9
340.12711	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	339.124
Annotation	Obovaten
Peak:m/z	Relative Intensity
59.01427	2.3
70.55494	1.4
70.55833	0.7
76.17171	0.6
85.03028	1.8
86.83678	0.7
96.96075	1.2
107.43487	0.5
112.55910	0.7
117.03510	0.7
119.05083	1.3
135.04581	1.4
138.49406	0.6
145.02991	4.5
146.03796	0.6
157.03009	0.7
163.04082	2.7
177.02083	0.8
179.07208	1.3
191.08827	1.1
193.06801	0.7
207.08200	3.5
217.06596	2.8
218.07445	1.1
219.08188	2.2
220.05356	0.9
221.06119	2.1
223.07643	1.3
224.04865	0.8
225.05716	1.6
225.09357	1.7
233.06120	1.7
234.06856	2.6
235.07629	7.4
236.08369	1.2
237.05565	0.7
237.09335	1.8
239.07225	2.6
245.06110	2.5
246.06924	1.7
247.07726	1.6
248.04875	0.6
251.07181	1.7
252.07904	1.3
253.08766	6.6
261.05463	0.8
262.06403	2.3
263.07162	17.8
264.07620	2.6
265.08691	2.5
267.10501	1.1
268.11063	3.0
273.05560	0.9
274.06396	1.2
275.07153	1.9
276.07913	1.3
280.07297	3.0
281.08231	30.5
282.08563	2.9
291.06662	7.6
292.07425	4.0
293.08179	7.9
294.08878	4.7
295.09778	1.8
296.10394	3.5
307.09772	4.2
307.63620	0.6
308.07123	1.0
308.10492	7.1
309.07721	100.0
310.08096	10.5
323.09271	24.9
324.10040	65.0
325.10458	7.5
339.12384	57.7
339.16718	1.1
340.12732	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	339.124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70990	0.6
52.19740	0.7
59.01374	1.2
65.00327	2.0
65.03955	1.2
65.80568	0.6
69.37429	2.5
69.37859	2.5
73.73808	0.6
78.23666	0.7
80.22797	0.6
80.40759	0.6
81.00165	0.6
91.01909	23.2
92.02226	0.7
93.03484	4.3
95.01408	0.8
105.03450	0.8
107.05029	2.1
108.02194	9.4
109.02963	5.9
109.06620	4.9
117.03480	1.2
119.05040	7.5
121.02969	9.8
122.03775	9.9
123.00864	0.6
123.04553	4.5
130.15184	0.6
132.05850	6.2
133.03008	4.6
133.06644	4.4
133.10237	2.0
134.03783	1.2
135.00905	37.6
135.04518	3.5
136.01588	1.0
137.02434	1.6
143.05014	0.7
145.06598	3.0
147.04474	0.9
149.02464	8.4
151.07672	0.7
153.01970	12.9
157.06580	2.8
159.04468	0.9
159.08195	3.9
161.02466	16.5
162.03030	0.8
164.04736	2.0
169.06644	7.4
171.04572	1.3
172.05296	1.3
173.08318	1.4
173.09740	19.8
174.10080	1.5
175.03899	0.9
175.07707	0.8
176.08289	0.8
177.09225	44.2
178.09587	3.5
183.04492	1.0
183.08186	1.4
185.02472	1.0
185.09735	39.3
186.03259	5.5
186.10045	3.0
187.04034	1.0
187.07648	1.1
189.09175	1.6
192.07962	1.1
198.03439	0.6
201.05585	4.4
203.07176	7.5
203.10800	23.6
204.07889	1.7
204.11075	1.6
205.08714	2.4
211.03995	2.1
215.03427	0.7
217.08575	1.1
219.06638	2.7
221.08231	2.1
227.07091	0.8
231.06583	4.9
233.08131	1.5
237.05614	0.9
238.06090	0.8
239.07089	0.9
240.07921	1.2
241.30679	0.6
250.06285	0.7
255.06583	0.9
256.07370	1.2
265.08749	0.8
267.06570	0.8
267.13898	1.3
279.10083	0.7
280.11044	2.9
281.08276	0.9
283.13431	1.1
293.11816	2.8
295.13434	19.6
296.13730	3.1
311.12927	71.1
312.13257	8.5
321.11432	2.6
324.10129	2.0
339.12399	100.0
340.12720	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	339.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02392	3.2
63.05216	0.6
63.20288	0.6
65.00331	11.7
68.99816	1.4
70.83468	1.3
70.83795	0.6
75.43285	0.5
83.01432	0.7
93.03470	8.0
105.07126	0.8
107.05096	1.0
108.02195	1.4
109.06604	5.7
117.03487	0.6
119.05041	82.9
120.05365	3.9
121.12861	0.6
129.07167	1.1
131.08713	3.0
133.06610	24.5
134.06931	1.1
136.01645	1.4
137.02469	1.2
145.02963	2.3
146.60472	0.6
147.08176	0.8
148.01677	0.9
151.07634	9.1
161.02547	0.8
175.07664	7.9
176.01169	7.9
177.01892	2.5
187.04012	1.4
187.63277	0.6
189.05498	0.7
190.02609	1.1
191.07159	2.2
219.06641	49.4
220.07019	4.2
233.08234	3.6
245.08322	3.0
279.13553	0.7
295.13635	0.9
339.12390	100.0
340.12701	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	339.1237
Annotation	Licoflavanone
Peak:m/z	Relative Intensity
59.01382	1.8
61.44460	0.4
65.00339	0.9
71.54723	0.5
91.01916	1.2
93.03478	1.7
95.05064	0.5
101.02523	0.5
103.94428	0.4
106.04266	1.0
107.01409	1.1
107.05106	0.5
115.36931	0.4
117.03504	1.2
119.05043	100.0
120.05359	4.7
130.04239	4.4
133.02960	0.6
133.06595	2.4
135.00874	1.5
135.04550	1.5
136.01671	0.6
141.33664	0.5
143.05069	1.0
145.02983	1.8
145.06602	5.9
147.08206	1.3
151.00375	0.9
153.01964	1.1
157.06589	1.5
160.05327	0.5
161.02464	1.3
161.05898	0.5
162.03140	0.5
163.07661	0.7
173.06039	1.0
173.09760	0.6
175.07668	2.0
185.09775	1.2
187.11348	1.5
189.05617	4.7
190.06137	0.6
191.07190	1.8
193.07121	0.9
201.05568	1.5
203.03658	0.5
203.07135	0.7
203.10851	1.4
207.06654	1.9
216.22220	0.4
219.06644	27.7
220.06935	2.2
225.09183	0.8
237.07671	9.0
237.09909	0.5
238.07811	0.5
273.81039	0.5
295.17010	1.2
300.38803	0.5
309.11398	1.6
321.11591	0.7
339.12399	57.4
339.15494	2.3
339.20190	1.3
340.12732	7.4
357.65100	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0723
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
59.01389	1.5
65.00332	1.0
65.03970	2.1
67.01896	0.7
68.40291	0.5
69.59982	0.5
71.14191	0.8
91.01907	51.3
92.02234	1.8
108.02210	1.3
109.02968	14.8
121.02956	0.6
133.02998	1.5
135.00905	100.0
136.01201	2.9
137.02455	3.3
149.02466	1.4
153.01961	60.5
154.02281	2.9
161.02469	1.4
177.01999	1.3
189.01924	1.1
199.43617	0.7
247.37601	0.6
297.06149	1.0
300.19547	0.5
303.31119	0.6
339.07239	24.7
339.11435	1.2
340.07587	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0725
Annotation	AESCULIN
Peak:m/z	Relative Intensity
56.75472	0.2
57.27033	0.2
70.00226	0.4
70.00617	0.6
81.03472	0.5
84.29266	0.2
87.57977	0.3
89.03979	2.0
104.02697	0.7
105.03477	3.1
107.01395	0.3
133.02979	9.3
134.03329	0.3
148.01718	0.5
149.02470	1.0
176.01152	1.6
177.01953	100.0
178.02304	5.5
206.03969	0.2
271.11438	0.2
339.07236	11.2
340.07556	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1234
Annotation	Aphyllodenticulide
Peak:m/z	Relative Intensity
54.28587	1.1
59.01376	6.2
63.02404	1.3
65.00329	7.2
69.25748	3.1
69.26159	5.5
83.01360	2.2
91.01904	17.4
98.20677	2.4
107.01402	3.5
117.83399	1.1
117.84185	1.5
119.05057	14.1
120.05359	1.7
132.05829	4.6
133.06616	100.0
134.06978	4.6
135.00908	29.1
135.04555	1.8
136.01242	1.9
136.98819	1.5
148.01712	1.2
149.02388	1.7
151.00398	9.0
153.01968	22.3
161.06090	1.1
163.04019	1.4
164.04788	2.0
169.06560	1.5
175.04025	2.4
177.05640	5.3
183.01247	3.1
185.09720	4.7
187.11272	6.3
188.11740	1.3
189.05595	2.2
193.07152	2.2
203.07126	3.7
203.10794	11.6
204.11069	1.5
205.05061	9.0
205.71683	1.1
218.05821	1.1
219.06671	2.5
225.09262	3.3
256.03812	2.7
269.08286	7.0
295.16995	1.9
329.20953	1.2
330.58762	1.1
339.12372	82.6
339.16040	21.8
339.20175	3.7
340.12692	10.0
340.16425	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.8
59.01390	100.0
59.61934	1.0
71.01400	3.8
78.28266	1.0
83.01420	1.2
84.02151	1.2
85.02967	20.7
87.75291	1.0
101.02445	2.5
113.02482	6.0
115.07670	65.0
116.07988	1.7
119.05050	19.8
129.01979	6.0
129.09229	2.4
140.64098	1.0
145.02930	1.6
147.02994	1.3
155.03514	1.1
157.08723	1.1
161.04529	2.5
163.04039	25.8
164.04362	1.6
173.00876	2.2
191.02026	6.1
218.76144	1.2
300.45132	1.0
337.07562	1.1
337.13315	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17208	1.4
55.23289	1.4
58.99399	1.2
59.01385	24.2
61.74746	1.5
70.08930	6.8
70.64944	1.2
79.95717	2.2
95.40018	1.3
96.96025	18.3
107.03548	1.4
119.05061	3.6
119.84872	1.3
133.99055	1.4
138.14178	1.4
174.50307	1.5
192.62430	1.3
255.23328	100.0
256.23688	11.3
337.14365	4.5
337.20428	21.9
337.23685	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14252	0.2
57.03460	0.5
58.02982	1.5
59.01392	0.9
65.14407	0.3
69.45053	0.5
69.45462	1.5
70.79106	0.2
80.05077	0.3
81.03512	0.3
83.05021	0.3
85.02949	2.0
95.05064	0.3
97.06590	1.2
119.04283	0.3
119.05067	1.0
120.05388	0.9
128.09891	0.4
128.10846	8.9
129.01944	0.3
129.11145	0.4
130.08763	100.0
131.09117	3.2
163.03986	0.8
164.04353	0.9
172.09769	0.9
184.28822	0.3
191.02028	0.4
192.02393	0.3
338.19766	34.8
339.20099	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	337.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28662	0.3
54.41969	0.3
57.79422	0.4
59.01373	0.6
70.13892	1.6
70.68561	0.3
80.02677	0.8
83.08938	0.3
85.26355	0.3
89.67332	0.4
91.01904	1.6
95.01461	0.4
98.20863	0.4
107.01427	0.7
108.02191	6.8
109.02363	0.4
109.02982	5.6
112.21741	0.4
119.05045	10.9
121.02959	0.9
123.04494	1.5
130.04265	2.1
131.05011	1.5
132.05710	0.6
134.03714	0.5
134.70770	0.4
135.00905	4.5
136.01666	1.6
145.02974	1.2
145.06651	0.8
146.07387	0.5
149.02446	0.9
153.01904	0.7
158.03690	1.3
161.02437	6.4
162.03171	1.1
171.08133	0.4
172.05315	1.6
173.06038	1.6
181.06636	0.5
185.09705	1.0
187.11249	1.9
197.06094	1.0
199.07664	0.6
207.08090	0.6
208.05341	0.8
209.06010	0.8
211.07697	0.6
213.09250	5.4
217.05080	4.1
221.06122	0.9
222.06967	0.5
223.07677	3.3
224.04747	0.5
225.05559	2.8
235.07663	1.3
236.04767	0.4
237.05484	1.3
238.06139	0.7
239.07152	1.7
241.08765	0.5
249.05508	0.6
250.06358	1.1
251.07095	2.9
251.10803	0.4
253.05144	1.3
254.91666	0.4
261.05560	0.5
265.05121	1.0
265.08673	1.9
266.05841	2.2
266.08685	0.8
267.06613	8.9
268.07108	1.4
279.06671	11.3
279.10052	0.9
280.06897	1.4
281.08197	0.8
282.05634	0.6
282.08975	3.1
293.11792	1.3
294.12671	0.5
295.13358	1.2
298.04822	2.0
305.11813	2.3
307.09766	0.7
321.11340	13.9
322.12009	4.0
337.10886	9.4
337.14462	100.0
338.11148	1.4
338.14795	13.5
352.95255	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14759	0.3
55.24723	0.3
55.58092	0.3
59.10091	0.3
69.57595	1.7
73.41003	0.3
98.20719	0.5
119.05038	40.3
120.05374	1.9
121.02986	0.9
122.00941	0.4
123.00876	0.4
133.02933	0.3
136.01654	1.5
145.02919	0.7
157.06667	0.4
159.04544	1.8
159.08136	1.7
161.02435	0.4
163.07635	0.6
173.06183	0.4
175.03973	0.4
187.04054	1.7
187.11295	0.4
190.06358	0.6
201.05556	1.2
202.06406	1.8
203.07191	2.9
204.07722	0.3
216.07915	1.3
225.05646	0.3
237.39113	0.3
248.07091	1.5
267.06625	3.0
268.07199	0.3
279.06656	8.0
280.06955	0.8
281.08069	0.6
293.08231	0.4
295.13403	1.2
307.09915	0.6
322.12103	1.1
337.14468	100.0
338.14819	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	337.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.6
65.00320	1.0
71.54082	0.7
72.17223	0.4
79.75508	0.4
83.01402	0.4
91.01883	0.8
91.98910	0.4
93.03438	0.7
93.38690	0.4
95.01369	0.5
96.96047	0.5
107.01392	1.4
107.05032	1.0
108.02151	1.0
109.06621	1.0
119.05041	25.4
120.05361	1.1
121.02993	0.9
123.00891	0.6
123.04456	0.6
131.08658	0.4
133.02927	0.4
133.06593	1.2
135.00845	0.5
135.04507	0.6
136.01678	3.3
137.02426	0.5
137.89801	0.4
143.05074	0.7
144.05827	0.5
144.90579	0.5
145.02945	0.7
151.00369	3.1
157.06610	2.6
159.04494	1.5
159.08182	6.2
163.07736	0.8
185.06149	0.5
185.09764	3.4
187.03979	1.3
187.07654	1.8
187.11253	1.1
201.05589	1.7
202.06326	0.5
203.07146	6.7
204.07440	1.0
216.07916	1.1
221.08188	4.3
225.05592	7.7
237.05583	7.1
238.05989	0.7
239.07144	1.2
240.07967	0.5
248.06886	1.8
253.05013	0.5
265.08795	0.5
266.05734	0.6
267.06592	5.3
279.06635	4.4
279.10126	1.1
282.08984	0.9
295.13400	18.3
295.22723	0.5
296.13593	2.7
314.08041	0.8
321.11386	0.6
322.12128	0.9
337.10916	8.3
337.14459	100.0
338.11313	1.1
338.14828	13.9
338.23444	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89904	0.6
57.03446	0.8
70.58390	1.7
93.03465	2.0
105.66479	0.5
117.03510	0.6
119.05038	100.0
120.05377	4.2
121.02985	1.1
121.06582	0.8
129.07164	0.9
130.04250	13.6
136.01715	0.6
143.05013	3.5
144.05789	0.9
145.02954	5.6
145.06595	9.6
146.03717	0.6
146.06920	0.7
153.06427	0.5
158.03751	7.4
159.04384	0.9
161.02417	1.5
161.06078	0.6
163.07660	0.7
171.04547	2.3
173.02376	1.8
173.06053	4.8
173.26715	0.7
174.03284	3.7
175.03848	0.5
187.04047	2.2
187.12239	0.5
188.04816	1.4
189.05554	5.9
199.03928	1.0
202.02718	5.5
203.07101	0.9
207.06665	0.9
217.05061	42.0
218.05405	4.0
222.45062	0.7
231.06616	1.1
235.06157	7.0
253.05019	2.1
279.06674	2.1
337.10840	81.9
338.11200	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	337.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
98.20691	0.3
107.01114	0.1
119.04983	0.2
124.50218	0.2
132.05827	37.0
133.06166	1.9
135.00867	0.2
138.85321	0.2
161.09709	0.2
163.06958	0.2
164.04811	13.8
165.05133	0.8
172.08974	0.4
179.96906	0.2
187.11299	100.0
188.11647	7.9
188.13019	0.1
279.06567	0.3
337.14474	34.6
338.14801	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	337.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59898	0.7
55.01878	1.8
56.17338	0.6
56.43583	0.6
57.03450	3.8
58.82851	0.7
59.01373	2.4
60.55829	0.6
68.99822	3.0
70.83691	0.6
71.01377	3.7
72.99307	0.7
73.02951	1.6
74.46997	0.6
75.00885	1.8
83.01405	2.7
84.02248	0.7
84.06612	0.7
85.02960	28.0
85.03476	1.5
86.03278	1.1
87.00881	3.3
89.02439	1.0
90.59939	0.7
90.66821	0.6
95.01398	0.9
98.19878	1.3
99.00901	5.8
101.02446	2.6
103.67046	0.7
111.00900	4.1
112.98808	0.8
113.02464	5.8
113.99603	18.1
114.99812	0.6
115.00410	7.1
119.05048	14.1
125.02435	0.7
127.00385	3.1
129.01967	6.7
133.41966	0.7
145.02991	3.7
147.03014	2.1
157.01427	4.9
159.30214	0.6
163.04033	17.4
164.04372	1.0
169.01442	1.6
169.23929	0.9
174.01706	16.3
175.02490	2.0
191.02010	9.6
192.02431	0.9
231.06647	1.4
241.81445	0.7
277.05658	21.0
278.06158	2.0
337.07806	100.0
338.08231	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	337.1083
Annotation	Paratocarpin K
Peak:m/z	Relative Intensity
55.72923	0.6
59.01392	5.6
59.74904	0.7
65.00336	6.8
68.99828	0.9
69.37833	4.9
69.84086	0.6
72.69163	0.6
79.05535	2.3
83.01394	0.7
85.02982	0.6
93.03471	4.5
96.96024	0.8
103.05555	2.8
105.07104	2.3
107.05042	8.2
114.89124	0.6
117.03457	0.7
119.05039	100.0
120.05351	5.2
128.20114	0.7
129.07126	2.6
131.05045	9.5
133.02936	0.7
135.01022	0.8
135.04529	3.7
140.79420	0.6
143.05035	1.9
145.02965	3.0
145.06612	1.3
149.02492	1.0
149.06099	11.9
150.06494	0.9
159.04575	0.8
161.06093	0.8
172.05305	1.3
173.06102	16.3
174.06442	1.1
175.03998	5.1
177.01965	0.8
185.06139	1.2
187.04042	6.7
187.11301	0.8
189.05583	1.2
191.07167	1.1
217.05066	58.6
218.05467	4.3
231.06625	5.8
295.09866	0.7
309.40274	0.7
337.10828	86.3
337.21774	2.3
338.11166	11.4
340.97745	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38043	1.0
55.01878	2.3
57.03461	13.1
57.21653	1.0
59.01382	7.2
60.61369	1.0
69.28325	5.3
69.28741	3.9
71.01396	2.1
76.31638	1.0
80.99538	1.0
83.01363	2.2
84.02163	2.7
85.02961	100.0
86.03311	1.7
98.19846	2.3
111.00900	2.4
119.04276	1.7
119.05046	23.5
120.05390	1.1
129.01976	8.7
145.02919	4.6
147.03078	5.5
158.78464	1.1
163.04037	28.6
173.01025	1.3
191.01996	80.9
192.02345	3.6
284.17334	1.2
324.56482	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	14.2
59.01382	8.8
68.28421	2.2
68.99844	1.8
69.21516	17.9
71.01386	2.8
83.01418	2.4
84.02183	2.4
85.02961	100.0
86.03291	2.0
96.96044	6.8
98.19818	3.5
101.02489	2.2
111.00896	2.4
117.03469	3.8
119.05035	27.0
120.05412	3.8
129.01921	11.1
145.02979	14.3
147.03029	15.9
163.04045	37.8
164.04317	2.6
168.94588	1.8
191.00293	3.9
191.01988	52.0
201.43643	1.9
233.01430	2.6
245.16779	2.2
257.15042	1.8
259.94095	1.8
268.56830	1.7
277.00375	2.7
304.13113	1.8
308.35251	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	337.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	12.4
59.01390	22.9
67.02967	2.7
71.01389	8.2
71.08365	4.7
83.01365	3.0
85.02960	100.0
86.29749	3.0
89.02528	3.7
93.03461	17.8
111.00909	3.8
117.03506	4.2
118.57203	3.6
119.05035	30.8
129.01955	10.4
135.50813	2.8
137.02481	24.5
137.22955	2.8
139.04022	20.8
145.02945	21.4
147.03015	21.0
157.05084	4.3
163.04028	37.7
174.01709	2.8
191.01991	25.4
231.06575	3.9
337.07635	12.4
337.11234	3.8
337.15009	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	337.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.4
57.03459	17.1
59.01367	4.0
69.60852	2.9
69.61256	5.8
71.01394	3.5
72.43936	1.6
83.01398	2.6
84.02174	5.2
85.02961	100.0
90.00620	1.3
93.03468	5.6
97.02988	2.0
111.00900	6.2
117.03477	12.4
119.05042	89.1
120.05352	3.4
125.02409	3.7
129.01967	38.3
130.02280	2.0
145.02971	90.6
146.03275	4.3
147.02979	6.9
147.04449	2.6
161.05998	1.6
163.04027	69.9
164.04346	3.3
173.00890	1.8
175.07736	2.4
177.05618	2.5
187.04094	1.7
191.02007	45.0
191.05547	2.4
203.07124	5.3
231.06644	32.2
232.06955	4.3
337.05588	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	337.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.8
57.03456	11.4
58.19257	1.0
58.44943	0.9
59.01385	4.8
71.01385	1.7
83.01392	1.4
84.02159	3.0
85.02962	100.0
86.03291	2.6
91.54792	0.9
98.20666	2.6
111.00881	2.2
117.03465	4.9
119.05046	21.5
129.01955	7.8
145.02975	34.7
146.03334	1.6
147.03015	17.4
163.04034	14.9
164.04424	1.0
180.77066	0.9
191.02002	47.6
192.02281	2.2
221.82407	0.9
231.06618	8.9
232.06845	1.2
263.55823	1.0
337.05728	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	337.057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	2.2
57.03454	15.2
57.93537	1.3
59.01367	1.7
59.29443	1.3
62.35358	1.2
69.54533	9.6
83.01394	2.9
84.02195	2.4
85.02959	60.7
85.03481	2.9
86.03309	2.2
87.24286	1.6
98.19935	3.0
111.00887	5.2
119.05043	72.5
120.05391	4.8
125.43482	1.5
129.01971	21.8
147.02986	3.2
163.04033	100.0
164.04364	5.3
167.43446	1.4
173.00960	3.0
191.02008	27.7
313.86676	1.4
324.50537	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.5
57.03451	11.5
59.01386	7.6
59.32270	0.7
71.01393	1.7
71.55126	0.9
72.77349	0.6
74.10294	0.8
83.01398	1.7
84.02174	2.5
84.58014	0.6
85.02959	100.0
85.58380	0.7
86.03291	2.6
90.94147	0.8
93.03486	1.0
103.00349	0.9
108.64645	0.7
111.00878	1.7
117.03465	6.0
119.05045	22.5
120.05365	1.0
129.01955	8.3
145.02972	34.2
146.03334	2.7
147.03004	16.3
163.04025	14.9
177.05652	0.8
186.87686	0.8
191.02000	49.7
192.02344	1.8
203.07256	0.8
231.06644	8.5
268.32040	0.7
337.05475	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	335.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.5
57.03455	13.9
59.01389	8.6
64.04794	0.6
68.99776	1.1
69.87791	3.1
71.01390	7.3
72.99304	1.3
73.02962	0.7
75.00878	0.8
83.01404	2.2
84.02171	2.3
85.02961	100.0
86.03291	2.6
87.00884	1.9
101.02467	3.4
103.00368	2.1
111.00898	0.9
113.02474	1.4
129.01965	7.2
143.10802	4.1
147.03021	7.1
161.04579	0.7
175.83377	0.5
191.01996	24.3
192.02295	1.1
209.03059	1.4
222.60081	0.6
292.58960	0.5
317.12744	0.6
335.13754	1.8
335.21948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2595
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
58.19426	0.8
71.08616	1.4
85.17167	0.7
96.95952	1.0
113.62229	0.6
147.74625	0.7
166.93619	0.7
227.20811	0.7
335.25955	100.0
336.26245	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	336.9404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.9
59.01371	5.8
70.65382	5.3
71.01388	6.5
72.99319	3.2
73.42052	2.2
78.95912	83.1
79.65479	2.1
79.95740	3.1
80.96329	5.5
85.02957	9.1
87.00879	15.4
91.56085	1.8
96.96024	76.4
96.96980	4.2
98.95592	7.6
104.92802	2.0
113.02467	9.8
126.27502	2.0
134.96086	19.9
136.94034	82.5
136.94966	2.8
137.94063	7.8
151.92728	6.3
152.91772	35.2
155.00064	2.7
156.90315	2.5
157.01430	2.3
162.96407	2.2
167.90471	3.2
170.92882	2.1
171.55157	1.9
178.95030	99.5
179.95158	7.5
194.92836	56.2
194.95540	2.3
203.31528	2.0
208.93878	36.7
210.91690	7.2
212.92302	2.9
212.94064	3.2
214.90422	20.1
216.86966	2.4
216.90619	3.4
218.86848	5.2
226.91283	5.0
232.94339	2.4
247.87138	1.9
248.37234	2.8
250.94936	47.2
251.94951	3.2
252.92877	27.8
256.88507	19.0
256.91437	4.2
257.88495	3.9
274.89508	60.3
275.89713	10.4
276.84924	4.5
276.89853	2.4
276.92908	2.5
287.85089	3.1
288.35123	4.4
288.84921	5.0
292.89151	2.7
292.94855	7.6
294.86063	29.4
294.93839	92.6
295.85889	3.2
295.93982	12.6
300.83957	2.1
306.83286	2.1
308.85077	3.6
315.83710	10.8
316.33945	7.1
316.84015	5.5
318.83029	2.7
318.86755	2.6
336.83725	24.8
336.87445	12.6
336.94315	100.0
337.07413	14.7
337.84308	5.5
337.94507	11.8
354.85464	89.2
355.85446	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	333.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01910	0.5
78.03475	0.9
80.05066	0.7
92.05077	3.0
94.06631	5.1
98.20642	0.8
100.26147	0.3
104.05067	2.8
105.03451	2.8
106.06640	13.4
107.03770	0.6
107.06969	0.5
108.04574	1.9
108.05224	0.3
120.04570	5.3
121.05331	1.2
122.02486	0.5
122.06143	15.0
123.03301	2.4
124.07696	1.1
131.03793	1.1
132.04568	7.9
133.04890	0.4
135.03314	0.8
136.04099	0.5
138.05620	24.5
139.05951	1.2
140.07182	0.5
147.44002	0.3
148.04094	1.1
150.05620	3.3
158.09694	0.4
159.06949	0.4
166.05107	0.9
167.11722	0.3
174.12886	0.6
184.11292	0.5
188.07227	0.5
189.08005	0.9
189.17300	0.3
197.07260	0.7
200.06026	0.5
203.09409	0.5
213.06673	0.8
215.11938	1.8
217.07475	1.9
226.07288	0.4
229.09904	0.7
231.09151	0.7
231.11423	1.3
241.06152	0.4
241.09848	3.6
243.11415	1.9
259.10892	0.9
271.10925	0.8
289.11963	100.0
290.12302	10.7
333.10898	8.3
334.11057	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
57.03448	2.8
58.00586	3.6
59.01387	100.0
60.01727	2.2
63.41216	1.8
71.01015	3.7
71.01389	65.2
71.07726	3.9
71.90464	1.7
72.99326	4.8
73.02950	4.0
78.95895	5.8
83.01379	4.7
85.02959	16.6
87.00879	4.5
89.02454	67.0
95.01398	6.9
96.96943	2.4
97.02937	2.3
97.06580	3.9
99.00901	2.2
101.02456	46.8
109.06589	3.0
113.01742	2.1
113.02470	26.8
117.70196	1.9
119.03510	34.4
120.03840	2.4
125.06087	4.0
125.56678	2.1
127.07662	4.2
131.03539	2.7
135.04489	5.6
137.06084	5.4
143.03499	4.7
152.67902	1.8
152.99626	6.9
153.05586	29.0
161.04575	2.0
162.89461	2.4
171.06696	2.0
179.05614	4.1
185.01326	2.3
261.03000	3.0
277.50354	1.8
291.50531	1.9
333.06042	9.0
333.12024	19.2
334.12369	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	335.0539
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10466	1.5
59.01382	8.2
65.41999	1.6
67.20387	1.7
71.01376	6.6
85.02937	6.1
89.02441	4.2
91.53219	1.7
93.03465	51.0
94.03781	3.0
98.20206	2.5
101.02460	7.9
102.05632	2.8
106.31351	1.6
113.02444	3.2
119.03543	2.1
120.95959	2.0
124.22626	1.6
125.02354	1.8
127.02112	11.7
128.03488	2.2
137.02455	100.0
138.02791	3.0
138.05568	2.1
157.03087	1.9
175.04193	2.1
188.41284	1.6
256.94312	1.6
259.06393	2.9
299.07785	4.1
303.05261	14.1
313.58456	1.9
335.07840	6.5
335.13385	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	331.2493
Annotation	9,10,18-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
58.55547	0.7
58.76281	0.8
59.01387	100.0
61.43727	0.7
67.76389	0.9
69.03467	11.7
69.48151	4.8
72.15178	0.7
78.04865	0.7
85.02964	68.2
85.06545	0.7
86.03292	1.8
99.29721	0.9
107.81475	0.7
111.04545	4.3
121.03053	0.9
122.03784	1.1
163.04016	3.0
175.03992	1.7
183.17613	7.0
209.19150	14.3
227.20154	1.7
245.15520	7.4
287.16568	11.4
288.16983	1.3
295.22809	1.3
313.23862	1.3
331.24921	52.2
332.25308	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	331.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29137	1.6
59.01387	100.0
67.82833	1.8
69.03462	3.3
71.01382	2.3
83.25338	1.9
84.02174	4.5
85.02959	45.7
134.54944	1.9
138.46890	2.1
149.89960	1.7
154.30728	1.7
174.67647	1.8
197.19153	15.2
206.04395	1.9
209.19081	4.6
225.18527	2.1
226.55772	2.3
227.20164	32.5
228.20445	2.8
235.20682	3.9
251.23854	3.3
253.21799	5.4
261.14151	1.8
313.24127	2.1
331.15564	3.1
331.24930	36.1
332.25330	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	333.0599
Annotation	GroPIns
Peak:m/z	Relative Intensity
59.51720	0.4
70.23079	1.1
70.23464	0.8
78.95915	100.0
96.96976	18.5
113.58213	0.4
132.04637	0.5
138.23044	0.5
150.98073	1.3
152.70180	0.4
152.99617	76.3
153.99936	1.7
171.00659	8.4
241.01219	38.1
242.01491	1.6
259.02319	2.3
262.67856	0.5
333.05963	87.7
334.06308	5.3
358.90512	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.8
64.16883	3.2
67.07598	2.8
71.01368	12.7
78.95911	100.0
89.02462	5.6
96.96954	20.9
101.02451	5.1
109.20379	3.1
150.98068	3.6
152.99612	71.7
154.31485	3.0
171.00720	6.6
177.99109	3.6
241.01180	34.9
264.29568	3.6
292.37256	3.6
297.11945	33.4
333.05865	77.8
333.09604	31.1
334.06436	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	333.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.1
60.32305	0.5
61.98833	1.2
63.67455	0.5
69.27150	2.8
69.27575	2.1
71.01399	1.1
78.03516	1.0
78.95904	1.6
80.05078	0.6
83.30669	0.5
85.02966	1.1
85.04087	1.8
90.42394	0.5
92.05057	1.9
94.06618	4.2
104.05070	2.8
105.03452	2.0
106.06631	11.9
107.03783	0.7
107.07003	1.2
108.04555	1.3
110.06160	0.5
119.98527	0.5
120.04543	5.7
121.05358	0.7
122.06140	14.2
123.03271	2.7
123.06462	0.6
124.07683	0.7
127.05142	0.8
128.03548	3.3
131.03783	1.3
132.04559	6.6
138.05627	20.8
150.05563	2.7
152.99571	1.2
166.05058	0.8
171.07808	3.3
174.12831	1.1
178.12939	0.6
188.03922	0.8
189.07930	1.3
213.06737	1.3
215.11984	1.6
217.07411	1.5
226.07576	0.7
228.08873	0.8
241.09821	3.3
243.11436	1.8
271.10873	1.5
289.11966	100.0
290.12262	8.8
300.12131	1.0
333.06033	2.3
333.10907	7.5
333.14957	1.1
334.07050	0.6
334.10837	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	331.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98832	3.9
64.67619	1.2
71.01385	5.0
71.54594	1.2
73.02946	2.5
84.25524	1.0
85.79671	1.3
89.02467	4.2
98.57676	1.3
101.02466	3.2
119.03513	1.1
138.44757	1.2
208.17551	1.1
213.14943	3.1
280.55670	1.1
331.04825	1.1
331.24973	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57374	0.8
57.03455	2.7
59.01387	100.0
59.53062	0.9
60.01724	1.7
69.55916	2.9
69.56345	3.7
71.05030	7.6
73.06554	1.2
74.04147	0.9
83.05032	5.3
85.02963	20.3
98.19921	1.2
99.04520	1.6
101.06096	38.8
102.06441	1.3
136.16812	0.9
169.16011	5.8
182.97073	1.0
183.17587	3.3
195.17532	1.3
197.19066	1.7
227.20204	12.0
253.21768	2.5
258.24832	1.0
271.22745	2.9
313.23874	4.0
331.24918	47.9
332.25290	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	331.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04811	1.0
54.20687	0.9
57.03452	5.8
58.00597	1.7
59.01387	100.0
60.01722	1.2
64.45295	0.9
65.42212	1.1
69.03452	2.2
69.48327	3.1
69.48740	3.9
85.02940	1.5
87.04513	8.4
119.05007	1.3
168.49088	1.1
169.55066	1.0
181.15955	1.4
183.17554	23.6
184.17867	2.7
197.19218	1.5
210.58122	1.2
213.18619	36.3
214.18970	2.9
223.20718	7.0
233.22705	1.7
235.20927	1.8
251.23886	5.4
271.22818	28.5
272.23093	3.0
313.23926	5.0
331.15839	1.1
331.24911	40.7
332.25293	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	331.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81634	0.9
56.95746	1.0
57.03451	3.5
59.01388	100.0
60.01709	1.7
60.73984	1.0
61.98814	1.1
71.05029	8.7
71.53686	1.3
81.03462	1.4
83.05045	5.4
85.02962	1.3
87.04516	2.2
92.88300	1.1
99.04528	2.8
101.06100	39.3
105.83504	1.0
109.86667	1.0
169.16014	4.7
183.17531	8.1
195.17543	2.1
199.17026	1.6
223.20656	4.1
225.24278	0.9
253.21794	4.1
271.22812	3.0
313.23907	3.3
331.24945	42.8
332.25189	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	331.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	4.9
71.05018	2.4
72.99327	3.2
77.41500	2.1
94.85476	2.3
96.96010	2.3
119.05016	2.7
121.06595	24.0
130.48105	2.1
132.76201	2.1
139.07663	91.8
140.08020	4.7
147.04558	37.5
165.05557	18.9
177.09233	2.4
183.06642	100.0
184.06894	4.4
189.09233	4.4
331.11829	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	331.1554
Annotation	Pestalotiopsone A
Peak:m/z	Relative Intensity
57.06040	0.7
65.00324	0.8
66.09862	0.7
69.29637	3.1
69.30070	3.3
70.58222	0.9
93.03481	2.0
106.04221	2.7
107.05027	2.3
121.02958	1.0
130.04257	10.7
135.00958	0.7
138.03282	0.7
143.05045	8.5
144.05763	2.9
145.06595	10.8
146.07005	0.9
149.02435	2.3
150.03258	1.9
157.06572	6.6
158.07347	2.0
159.04576	1.8
159.08168	8.9
160.05334	0.8
161.02507	3.5
161.06099	0.8
162.03171	2.3
170.07353	0.9
171.08189	1.6
173.06134	0.8
175.07677	5.8
177.01903	1.3
179.03484	3.0
187.03996	4.2
188.04709	0.9
190.06352	1.8
191.03540	2.0
201.05594	3.4
202.06267	1.8
203.07164	10.0
204.07506	1.0
207.02988	4.8
207.04663	0.7
211.11214	1.2
219.03008	0.7
227.14435	12.0
228.14941	0.8
231.06636	2.7
247.06053	1.7
271.13409	84.5
272.13715	8.8
289.14481	64.1
290.14688	6.2
299.12836	2.2
303.16110	5.5
304.16385	0.9
312.18802	0.8
331.15524	100.0
332.15848	10.0
344.30563	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1555
Annotation	Pestalotiopsone A
Peak:m/z	Relative Intensity
59.01377	2.4
67.41428	1.4
71.46167	2.4
103.80214	1.4
109.06604	5.0
110.31153	1.5
157.06618	2.8
159.08192	2.2
171.08183	3.4
172.08925	3.6
200.88850	1.6
212.12004	1.8
227.14450	15.1
228.14755	1.9
229.08772	2.8
271.13431	71.3
272.13739	7.6
289.14517	52.4
290.14841	3.7
299.12756	2.8
303.16068	2.4
331.15543	100.0
332.15915	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	331.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43761	1.1
59.01387	100.0
70.11852	1.2
70.99842	3.1
71.01394	6.4
73.02950	2.6
85.02959	3.3
89.48311	1.1
96.96027	1.2
101.02454	3.5
113.02443	2.3
114.80267	1.1
161.04539	2.5
163.09645	1.3
171.68845	1.1
289.16296	1.8
331.24744	1.6
332.24658	1.2
337.28723	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0828
Annotation	3'-Deoxydryopteric acid
Peak:m/z	Relative Intensity
54.00041	0.4
59.01389	2.4
62.37111	0.5
63.02406	0.5
63.54216	0.5
65.00336	2.0
71.01398	3.6
71.55097	0.8
73.02921	0.5
83.01414	1.0
85.02973	1.3
89.02458	1.0
91.01899	0.7
95.01419	0.9
97.02975	1.8
101.02465	1.8
107.01374	0.7
108.02303	0.6
109.02982	0.9
111.00944	0.5
113.02498	0.8
114.57434	0.6
121.02968	1.1
124.01676	51.3
125.02013	1.6
135.00810	0.5
137.02495	2.2
138.03273	0.6
139.00391	2.0
139.04027	100.0
140.04370	4.2
147.04564	0.9
148.01678	1.5
149.02444	0.7
149.99654	0.7
150.03259	1.7
151.00378	4.3
152.01154	0.9
153.01976	0.5
153.05615	2.0
159.04512	0.6
161.04552	0.9
163.04048	2.0
165.01949	9.4
166.02574	0.6
167.03514	0.9
169.01480	0.5
175.10323	0.6
178.99886	5.2
183.04591	0.5
193.01431	5.4
194.01901	0.5
195.03029	0.8
195.52373	0.6
227.03511	1.1
240.04428	0.6
243.11411	2.1
255.03064	1.7
257.04602	1.2
271.06052	0.7
272.06970	1.9
273.03952	0.7
283.02582	1.1
287.09171	4.2
288.06335	1.6
298.04895	0.8
299.05649	2.0
303.08762	29.9
304.09088	2.9
313.07489	0.6
316.00549	0.6
331.08286	22.1
331.14374	1.0
331.17828	1.2
332.08572	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	331.1039
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
57.03440	0.5
58.76125	0.5
61.20060	0.5
62.58844	0.5
64.11664	0.4
69.18944	3.8
69.19350	1.4
71.01392	1.2
82.00654	1.0
83.01408	0.9
85.02962	1.9
89.00108	0.5
100.03625	0.5
101.02460	0.6
109.15167	0.5
110.00104	7.8
111.00878	0.7
113.02451	3.0
123.00937	0.7
124.01691	1.3
125.02454	8.1
137.02348	0.7
137.99622	8.7
138.03238	0.8
139.00385	2.2
140.01146	1.1
151.00383	0.9
152.01173	3.4
153.01958	100.0
154.02568	5.0
155.03526	1.9
161.04613	0.7
166.02690	1.2
167.03516	11.2
168.04298	51.5
169.01463	2.1
169.05072	9.6
179.03540	1.2
181.05092	0.7
191.03465	0.6
209.04529	1.1
211.06192	0.7
252.07513	0.6
281.76096	0.6
331.06824	0.9
331.10345	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	331.1038
Annotation	Koaburaside
Peak:m/z	Relative Intensity
54.81639	0.3
57.55292	0.3
58.96045	0.4
59.01387	1.0
64.27172	0.3
71.01392	0.7
72.99285	0.3
82.44215	0.4
85.02967	0.4
97.02960	0.4
98.20694	0.7
101.02490	0.4
109.02967	1.1
111.04527	0.4
125.02450	0.8
137.02408	0.5
138.03261	1.2
139.04030	66.8
139.18135	0.3
140.04391	2.4
150.05591	0.4
153.01932	1.1
160.89343	0.4
168.04272	1.0
169.05080	100.0
170.05418	5.6
331.06854	0.7
331.10400	6.1
331.23834	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1039
Annotation	Koaburaside
Peak:m/z	Relative Intensity
59.01392	0.9
69.03455	2.2
71.53077	0.8
79.01910	0.9
81.03487	0.9
83.01405	1.4
93.03504	0.7
95.01408	1.3
96.60606	0.5
97.02985	1.9
103.24648	0.6
103.35990	0.6
104.92391	0.6
107.01430	1.3
109.02960	1.1
110.00196	0.7
121.02955	0.9
121.65450	0.6
123.00896	3.0
123.04627	0.6
124.01688	12.0
125.02466	46.5
126.02798	1.5
135.81279	0.6
137.02437	1.6
138.03201	2.7
139.04030	70.3
140.04337	2.3
149.99608	17.5
151.00429	3.4
153.01965	3.8
165.01898	0.7
167.03526	1.7
168.00667	43.9
168.04286	3.4
169.01434	8.6
169.05083	100.0
170.05447	4.4
193.01456	0.9
211.02563	0.8
243.31979	0.6
313.05615	3.9
319.19763	0.7
331.06720	64.5
331.10413	20.9
332.07098	5.8
332.10739	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	331.0673
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.60526	0.6
69.03463	1.6
69.96718	3.6
71.35633	0.7
76.78066	0.7
79.01924	1.0
81.03459	0.9
92.43871	0.9
95.01392	1.3
97.02957	2.8
98.20569	1.0
99.85730	0.7
107.01405	1.2
123.00890	4.5
124.01672	13.5
125.02468	60.1
126.02802	2.3
149.99603	27.1
151.00310	2.9
153.01999	1.1
167.03503	1.3
168.00658	60.6
168.75830	0.7
169.01373	8.1
194.34744	0.8
313.05731	8.6
331.06744	100.0
332.07056	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	331.0825
Annotation	Sulochrin
Peak:m/z	Relative Intensity
51.13824	0.5
52.84120	0.5
52.87614	0.5
57.03453	0.7
57.12894	0.5
59.01387	0.8
63.02405	5.6
63.58638	0.4
65.00334	2.9
65.03970	0.6
66.30432	0.6
68.64127	0.5
71.01402	0.6
71.54731	0.6
78.85153	0.6
83.01386	5.0
93.03472	6.7
95.01431	1.1
96.37756	0.5
107.01405	8.0
108.02200	2.1
109.02962	4.7
121.02965	3.0
123.00931	1.8
124.01639	1.2
125.02457	12.2
133.02953	0.6
135.00932	0.6
135.04572	0.7
136.01692	1.5
137.02464	7.1
149.02435	3.3
151.00385	17.8
152.01096	0.8
153.01956	1.0
154.06271	1.0
161.02487	0.5
163.00394	5.4
164.01140	2.9
165.01945	100.0
165.99109	0.8
166.02257	4.6
169.01427	1.2
176.01187	1.0
177.01967	3.7
191.03503	1.7
196.00185	2.0
201.05595	0.7
203.03517	0.8
204.04276	0.6
215.03439	1.9
229.05052	1.9
231.03056	2.2
233.04655	1.1
245.04590	0.7
255.03163	0.8
257.04572	2.6
259.02490	1.7
273.04028	2.2
300.02789	0.8
301.03592	26.1
302.03845	2.2
316.05905	5.0
317.06186	0.9
330.23999	0.5
331.08264	76.0
331.24939	5.0
332.08566	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	331.0675
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03451	0.9
64.85352	0.9
65.00336	1.0
69.03467	2.4
71.52937	1.3
72.76105	0.7
79.01898	1.4
81.03455	1.5
83.01404	3.7
87.38392	0.9
96.74582	0.8
97.02969	4.0
107.01418	4.2
123.00852	4.2
124.01672	16.0
124.02517	1.4
125.02467	72.9
126.02827	2.2
130.02559	0.9
137.02472	1.6
139.04034	5.9
149.99603	21.8
151.00400	11.5
167.03494	1.1
168.00667	55.5
169.01459	27.6
169.05077	10.4
170.01819	1.5
170.05429	1.0
175.00423	1.2
184.06154	1.1
190.35269	1.0
193.01471	2.7
211.02565	4.3
241.03604	0.9
313.05658	7.1
331.06775	100.0
332.07196	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	331.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87683	0.7
57.03448	5.5
57.59776	0.7
59.01384	2.0
65.00336	5.3
69.03452	0.7
71.01387	1.6
71.52803	0.9
81.03461	3.4
83.01393	15.4
85.02957	1.6
87.00876	1.2
94.02995	1.1
97.02946	2.2
107.01411	9.6
108.02184	2.1
109.02955	0.8
113.02484	0.7
117.18279	0.7
121.02958	0.9
123.00842	0.9
123.04581	1.2
124.01686	4.9
125.02464	68.8
126.02776	2.9
127.05188	0.7
131.01378	0.9
133.05093	7.5
137.02429	1.0
137.99640	0.8
139.04025	7.0
149.02519	1.4
149.99593	3.6
151.00385	57.0
152.00739	2.2
153.01961	9.9
156.99838	0.8
161.04599	1.0
165.02000	1.0
167.03470	3.6
168.00670	10.7
168.04346	4.4
169.01447	44.6
169.05078	7.9
170.01764	1.5
173.70570	0.7
175.00398	9.7
187.76201	0.7
193.01445	5.5
198.04163	0.7
199.01038	1.4
211.02510	3.0
227.00380	0.9
244.22758	0.9
313.05627	0.9
313.11273	0.9
331.06757	100.0
332.07068	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	331.0464
Annotation	Elatol
Peak:m/z	Relative Intensity
57.03456	1.7
58.00602	0.9
59.01390	11.7
61.45605	0.8
62.90786	0.9
63.02391	2.3
65.00325	3.6
69.02442	0.9
69.41148	4.8
69.41563	2.0
71.01386	13.6
72.99306	1.1
73.02954	2.0
81.03503	0.9
83.01402	4.1
85.02964	5.5
89.02446	5.8
95.01406	3.1
99.00912	1.8
101.02454	8.2
107.01398	7.6
108.02211	2.0
109.02975	2.5
111.00904	1.4
113.02468	5.1
115.92052	1.0
116.92834	1.1
119.03520	2.4
122.22512	1.0
123.00926	2.4
124.01662	6.7
125.02451	4.6
128.72504	0.9
132.02148	1.0
133.02951	1.0
135.00935	2.0
136.01709	2.0
137.02426	1.0
139.00407	1.0
139.13666	1.0
149.99661	0.9
151.00389	16.4
152.01181	4.8
153.01991	6.4
160.01656	5.5
161.04567	2.6
161.99782	0.8
163.00409	6.9
164.01170	40.0
165.01579	1.4
170.03693	0.9
173.02400	1.7
174.03218	6.9
177.01944	1.7
178.99925	1.1
180.04285	0.9
187.00349	2.0
192.00677	8.5
197.02483	1.0
198.03261	5.8
199.03937	1.8
200.01202	3.3
200.04723	1.0
201.01921	2.3
202.02739	12.8
213.05527	0.9
214.02730	2.2
215.03561	1.0
226.02721	12.2
227.03432	2.5
230.02348	1.0
242.02170	7.6
243.02908	3.3
244.03706	2.0
245.00952	1.0
248.03064	0.8
254.02341	1.1
257.04501	1.7
264.85135	0.9
270.01706	16.0
271.02377	6.5
272.03256	10.0
273.03729	1.2
285.04071	81.7
286.04504	7.0
287.02115	6.2
287.05029	1.2
298.01251	5.8
299.01889	4.5
300.02478	1.4
303.08826	1.4
313.03561	100.0
314.03912	9.5
316.02197	9.9
316.05267	1.3
317.02509	1.6
331.04611	79.1
331.08121	6.2
332.04987	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	329.2338
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03448	4.7
59.01387	100.0
59.77145	1.9
71.01395	2.0
73.51194	1.9
81.03485	2.8
83.05028	9.1
85.02960	11.6
88.24387	2.1
105.72681	2.7
121.02995	2.5
139.40434	1.7
145.05087	60.4
153.99872	2.0
160.05305	2.8
167.14293	2.7
171.10258	2.3
183.17508	10.2
207.10228	9.0
223.09785	2.2
233.19072	2.2
245.15607	3.7
249.22275	5.7
251.20116	11.0
293.21326	2.2
311.22281	66.0
312.22604	7.3
314.04401	2.6
319.34921	2.2
329.06720	3.8
329.13544	2.5
329.17398	4.7
329.23380	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	330.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.4
85.02942	0.9
87.13352	0.5
87.13908	0.5
95.01394	0.6
97.06570	0.9
109.02937	1.9
110.00050	0.6
123.00906	0.6
127.11286	0.8
143.05064	0.8
144.05334	0.8
149.02156	0.5
150.02737	0.6
157.02930	1.1
158.03275	1.1
159.04559	1.0
160.04845	0.6
161.99463	2.3
163.00024	1.1
165.99127	0.6
167.10759	1.5
168.11157	0.7
171.04546	2.8
171.10268	1.6
172.04900	3.2
172.10612	1.3
173.10733	0.6
183.02943	0.7
183.04520	0.7
183.13982	1.0
184.04892	1.4
187.03975	1.0
188.04344	2.1
189.98924	0.8
199.03966	3.4
200.04362	7.1
207.10291	0.8
208.10558	0.8
211.13420	1.6
212.04297	1.0
212.13811	2.4
213.13962	2.9
214.14125	1.3
215.03482	2.0
216.03857	3.6
226.02359	0.8
227.03560	3.7
228.03877	9.4
229.14362	0.7
230.14690	1.0
231.15016	2.4
232.15236	1.3
243.03035	3.6
244.03302	8.4
253.01515	1.0
254.01714	1.8
255.03015	3.3
256.03351	10.4
257.03702	0.6
259.05658	1.4
270.01471	0.6
270.05057	0.5
271.02365	5.7
271.05493	1.4
272.02853	20.9
273.03104	2.4
283.02145	1.6
297.03561	0.8
299.01831	5.6
300.02319	25.6
301.02594	2.6
314.04318	7.0
315.04688	100.0
316.04932	11.4
329.22443	12.7
330.07028	74.6
330.11209	1.3
330.22678	12.3
331.03726	0.8
331.07346	7.5
331.24942	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2337
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
52.52315	0.3
57.03455	0.9
58.87213	0.4
69.03452	0.6
69.17327	2.3
69.17752	1.5
71.05027	0.7
83.05040	0.9
85.02967	0.4
90.79870	0.4
97.06585	0.4
99.08171	6.7
111.08280	0.5
125.09751	1.1
127.11307	3.5
129.09261	0.6
139.11314	5.5
143.78804	0.4
155.10806	0.7
155.14442	0.6
157.12346	0.5
163.00381	0.5
165.12860	0.8
167.14401	1.4
171.10280	14.1
172.10681	0.8
183.13925	5.3
193.12288	2.5
199.13467	0.6
207.10419	0.7
209.11861	1.5
211.13409	32.4
212.13742	2.5
229.14459	15.9
230.14812	1.6
242.02309	1.0
258.01508	0.5
264.20932	0.4
270.01901	0.5
286.01257	1.9
293.21268	1.3
301.03445	1.2
311.22375	0.9
314.00778	0.5
329.03189	2.3
329.23358	100.0
330.23703	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	329.2337
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
50.57366	0.4
53.82105	0.4
57.03444	0.4
58.00604	1.4
59.01389	3.0
62.33345	0.4
70.76034	0.7
70.76354	0.6
72.99325	0.8
77.27507	0.4
96.96013	0.4
97.06617	0.5
99.08169	14.2
100.08504	0.7
111.08191	0.9
113.09764	1.9
127.07697	3.1
129.09241	20.4
130.09535	0.7
137.02501	0.5
138.03287	0.4
153.12877	13.7
154.13243	0.8
156.34718	0.4
156.38255	0.4
165.09203	0.7
165.12849	0.4
166.82767	0.4
170.02260	1.3
181.12341	0.8
191.17981	0.4
199.13419	5.7
207.10277	7.7
208.10631	0.5
211.13519	0.5
219.22633	0.4
265.21652	0.7
311.12906	1.5
311.22351	1.9
329.23364	100.0
330.23709	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	329.1397
Annotation	Excavatin C
Peak:m/z	Relative Intensity
59.01389	1.9
79.99869	0.4
83.01420	1.3
84.02178	0.3
89.21479	0.3
95.01395	0.5
96.02162	0.5
96.96003	0.3
97.02965	0.6
99.08189	0.6
109.02969	0.6
111.08164	0.4
121.41247	0.3
123.00910	1.3
129.09221	0.6
137.02455	8.8
138.03239	6.3
139.04028	0.4
145.02979	2.4
151.04132	0.6
153.01938	0.4
165.09225	11.4
166.09567	0.7
170.02220	20.2
171.02470	0.7
171.10306	0.4
181.12405	0.6
190.66689	0.3
199.13399	3.1
207.10274	100.0
208.10617	7.1
211.13423	0.4
251.94051	0.3
293.11859	0.4
299.02032	0.4
311.12888	12.9
311.22400	0.4
312.13205	1.2
314.04300	0.3
329.06702	0.5
329.13638	0.6
329.23328	11.3
330.23755	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1399
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
57.25558	0.4
59.01377	0.8
69.56660	2.8
74.31948	0.4
83.01397	1.9
93.03455	0.5
97.02956	1.0
109.02951	1.0
111.00945	0.6
121.02956	5.1
122.03797	2.2
123.00869	2.5
123.04522	0.7
130.04269	0.8
131.05049	0.5
135.04575	0.7
136.05302	1.3
137.02455	9.6
138.03252	6.5
139.03976	0.6
143.04984	1.1
145.02997	4.0
145.06499	0.5
147.04562	3.8
149.02443	2.2
150.03246	5.9
151.03973	1.5
158.03751	4.4
159.04536	17.0
160.05316	38.3
161.06090	14.7
162.06482	1.2
163.04030	6.0
164.04790	5.0
165.09235	12.0
166.09569	0.8
168.04227	0.5
170.02222	19.6
171.02556	0.8
171.12817	0.5
173.06067	5.0
175.07660	27.7
176.04764	1.1
176.07994	1.4
177.05586	6.7
178.06349	8.4
179.03471	0.5
192.07941	1.5
193.08617	3.4
207.10274	100.0
208.10616	6.6
223.09789	1.2
242.05891	0.6
242.34070	0.4
271.02322	0.6
285.04004	1.8
299.01883	0.7
311.12885	13.8
312.13263	1.8
314.04306	1.4
314.11606	0.9
329.03238	0.9
329.13965	38.4
330.14191	4.6
336.16809	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1395
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
55.24641	0.5
56.77890	0.5
59.01394	2.1
65.00347	0.5
69.58503	1.1
69.58908	2.9
71.01401	0.6
78.46078	0.5
79.44441	0.6
83.01407	0.8
93.03477	1.4
105.03459	0.7
108.02161	1.1
109.02962	0.9
111.04533	0.6
115.05515	1.0
121.02966	13.1
121.03776	1.0
122.03805	3.7
123.00910	2.3
123.04552	1.8
124.01685	1.9
131.05060	2.2
133.02968	2.4
133.06592	0.6
134.03719	0.6
135.04535	1.9
136.01718	0.8
136.05302	2.9
136.70486	0.6
137.02475	3.2
137.06102	1.3
138.03233	1.8
143.05077	2.6
145.02972	1.5
145.06583	0.7
146.03783	1.4
147.04550	9.6
149.02451	5.0
149.06133	0.9
150.03247	17.2
151.00388	0.9
151.03960	1.8
153.05595	1.0
158.03749	12.9
159.04541	41.2
160.05319	90.6
161.06100	38.0
162.06499	1.5
163.04036	16.4
164.04814	13.1
165.05423	1.0
168.03050	10.2
168.04384	1.2
173.06082	10.4
174.06671	0.6
175.07660	67.1
176.04826	1.2
176.07988	3.9
177.01968	1.5
177.05586	19.0
178.06372	16.0
179.03456	0.6
179.06749	1.3
191.07068	0.7
192.07892	1.3
193.01436	0.6
193.08730	9.0
194.09111	0.9
200.54901	0.6
202.99831	1.8
223.06268	0.7
223.09792	4.2
270.06677	0.6
285.03894	2.6
286.04337	0.8
299.02237	0.7
299.12866	1.2
299.46201	0.5
314.11572	2.5
329.03250	4.6
329.13959	100.0
330.08109	1.5
330.14294	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	329.1396
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
57.30564	0.9
58.00574	0.8
59.01371	2.5
68.35825	1.0
71.01392	2.0
71.55376	1.0
73.90067	0.8
74.02513	0.8
77.57666	0.9
85.02977	1.5
85.62596	0.8
93.03490	1.0
95.70473	0.8
108.02206	1.2
109.02982	1.4
115.05560	1.1
119.05074	1.7
120.08157	0.9
121.02979	12.4
122.03769	4.5
123.00903	3.8
123.04530	1.9
124.01682	2.3
131.05070	2.0
134.03693	1.0
135.04539	2.4
136.01675	1.7
136.04141	1.4
136.05341	2.3
137.02466	3.9
137.06091	1.5
138.03241	1.6
143.05042	2.2
145.02963	1.5
147.04507	8.8
149.02454	3.5
150.03249	16.5
151.04001	2.5
158.03757	12.1
159.04547	41.0
160.05325	85.8
161.06113	40.5
162.06429	1.7
163.04019	15.1
164.04825	13.3
168.04158	0.9
173.06071	10.7
174.06635	1.4
175.07664	67.7
176.04832	1.6
176.07976	4.2
177.05597	18.9
178.06378	15.8
191.07161	1.1
191.10416	0.8
193.05066	1.4
193.08769	7.4
223.09804	6.0
242.11990	1.9
267.11487	1.7
299.02328	1.0
314.04364	1.1
314.11673	2.6
323.97897	0.9
329.14008	100.0
330.14297	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66269	1.2
56.39164	0.9
59.01386	100.0
60.01711	2.1
69.33900	2.2
69.34310	6.6
71.01389	5.0
73.02911	1.4
74.02482	1.5
75.00825	1.1
81.03447	2.7
83.01409	2.7
84.46229	1.0
85.02953	3.4
88.84924	1.0
101.02460	2.6
109.02949	1.1
113.02477	2.2
123.04549	20.1
125.02445	2.5
127.73815	1.0
130.08775	3.1
133.02974	2.5
134.03342	1.2
137.02455	1.6
138.00880	1.1
138.03336	1.1
139.45235	1.0
145.05353	1.3
149.02484	1.7
157.33714	1.1
159.33943	1.3
160.04076	2.3
161.04581	2.3
163.04042	1.9
167.03508	58.3
168.03847	2.6
175.00307	1.1
181.05066	1.2
182.39314	1.2
189.04276	3.4
191.03529	13.2
193.26266	1.0
209.04489	5.0
221.04601	2.5
223.09729	3.6
233.82773	1.1
258.06525	2.5
267.07938	1.7
267.11447	2.0
269.10400	5.3
273.08865	3.9
283.10788	1.3
286.03949	2.1
299.10419	2.0
301.06155	5.9
301.11887	1.6
311.10358	4.4
329.05725	23.3
329.11453	16.7
330.05942	1.8
330.15634	2.0
330.20071	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1395
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
51.30633	0.5
56.22457	0.4
57.14276	0.4
58.39476	0.4
59.01380	1.3
62.43760	0.4
68.48787	0.4
69.17477	4.6
70.84425	0.4
71.01389	0.6
83.43739	0.4
93.03478	1.1
105.03445	0.6
108.02209	1.1
108.49831	0.4
109.02988	0.6
115.05563	1.5
121.02972	12.7
122.03792	4.9
123.00893	2.2
123.04551	2.1
124.01696	2.4
131.05055	2.6
134.03773	0.5
135.04512	1.4
136.01709	1.0
136.05328	3.5
137.02477	1.8
137.06087	1.6
138.03229	1.3
143.05078	2.9
145.02940	2.2
145.06635	1.0
146.03796	1.2
147.00877	0.5
147.04547	10.0
148.05270	0.6
149.02457	4.3
150.03249	15.8
151.04036	1.0
153.05592	1.5
154.71855	0.4
158.03754	11.7
159.04538	42.7
160.05321	92.4
161.06102	40.9
162.06462	2.1
163.04036	15.1
164.04820	14.3
165.05278	0.5
166.02670	0.6
168.04332	1.1
170.02226	0.5
173.06091	12.2
174.06673	0.9
175.07668	64.6
176.04802	1.8
176.08015	4.5
177.05591	18.0
178.06366	20.2
179.06787	0.9
189.05533	0.5
192.07944	2.6
193.05075	0.6
193.08731	9.1
213.86768	0.5
223.09764	3.2
236.02122	0.5
285.07724	1.1
297.95245	0.5
299.12900	0.7
314.11563	2.0
329.13986	100.0
330.14334	11.4
332.28937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25703	0.3
58.07967	0.4
59.01382	1.5
61.53942	0.4
69.47357	2.5
71.01389	7.5
72.71641	0.3
73.02956	2.2
83.01394	0.9
85.02955	2.6
87.74445	0.3
89.02450	0.8
93.03487	0.4
95.01373	0.3
99.00885	1.1
99.04530	0.5
101.02457	4.7
108.02199	2.0
109.02950	1.5
113.02473	4.6
121.02951	2.1
122.03754	100.0
123.04639	10.5
135.04536	1.1
136.05333	0.5
137.02454	1.2
137.06082	1.6
137.40604	0.3
143.03551	0.7
147.04512	1.3
148.05260	0.4
149.06099	0.4
150.03175	0.5
150.05588	0.7
152.01218	0.5
159.03004	1.2
161.04590	7.6
165.05580	6.5
167.03528	1.4
176.20604	0.3
177.05559	1.8
285.09698	2.0
329.08813	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	329.088
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.54261	0.5
59.01385	3.3
66.25066	0.5
71.01383	8.1
73.02964	3.0
84.46959	0.5
85.02962	3.7
87.00848	0.8
88.19042	0.5
89.02446	2.4
93.03483	0.7
97.31945	0.6
99.00883	1.5
99.04533	0.7
101.02457	5.6
102.87069	0.6
108.02193	7.2
109.02953	2.1
113.02462	5.0
119.03488	1.1
121.03001	3.3
121.06611	0.6
122.03749	100.0
123.04598	15.9
124.04869	0.7
125.02451	1.0
135.04501	1.6
137.02425	1.2
137.06064	0.9
143.03485	0.6
147.04538	1.2
148.65530	0.7
149.06133	0.9
150.05617	0.9
152.01169	3.6
159.03017	0.9
161.04553	9.2
164.95123	0.5
165.05594	5.9
167.03505	16.8
177.05602	3.1
210.52002	0.8
219.38695	0.6
235.42747	0.7
285.09894	1.8
329.08963	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	329.0882
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
54.60668	0.9
58.41936	0.8
59.01378	3.2
65.22930	0.8
68.99842	1.1
69.36490	6.9
71.01392	2.1
71.89787	0.9
78.38450	0.9
80.26445	0.9
81.03466	7.3
82.02975	1.8
83.01395	7.8
83.20239	0.8
85.02972	1.7
87.00932	1.1
88.04073	1.4
93.03448	1.6
95.01387	1.4
95.05040	13.7
95.72871	0.8
97.02981	4.0
98.02518	1.2
99.04529	3.9
100.04114	0.9
107.05027	1.2
108.34007	0.9
109.02935	1.2
113.02486	1.4
121.02953	1.8
122.03751	2.8
123.04541	19.4
125.02465	18.1
130.08751	8.0
135.04498	1.1
136.07762	0.8
137.02446	3.7
137.06104	15.7
139.04027	2.6
147.04495	1.7
149.02423	1.3
149.06149	1.0
151.03990	1.2
152.01134	2.0
154.01468	1.1
157.13504	4.6
165.05559	3.2
167.03511	51.3
167.07175	1.5
167.69963	0.9
168.03857	2.2
177.05365	0.8
179.03546	8.1
181.05090	3.7
191.03424	1.2
191.04950	1.4
192.05122	1.0
193.04974	2.1
197.04607	2.4
201.12547	1.1
203.09782	0.8
207.02911	1.1
209.04578	100.0
210.04872	5.1
221.04572	2.9
223.06506	1.0
239.03401	1.6
239.05635	20.9
240.05945	0.9
243.06981	1.1
251.05583	1.5
267.13599	1.3
268.93079	0.9
283.12958	1.9
285.14609	1.2
311.07779	1.0
329.08795	9.4
329.13153	4.9
351.29733	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0882
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.03801	0.2
51.62700	0.2
57.03462	1.0
59.01382	1.2
65.00338	0.6
70.39529	0.8
76.52750	0.2
78.64247	0.2
81.03461	4.6
83.01385	2.5
85.02961	0.4
95.05046	0.9
97.02968	0.3
99.04519	0.3
107.01427	0.7
121.03008	0.2
123.04539	32.0
124.04859	1.5
125.02455	6.3
125.03346	0.4
126.02828	0.4
127.05172	0.6
132.04532	0.4
135.04547	0.3
139.04008	0.4
149.02428	0.7
151.00401	1.9
153.06699	0.4
163.04062	0.6
167.03510	100.0
167.33952	0.2
168.03856	4.6
180.92288	0.3
189.04529	0.3
191.03540	0.7
197.05733	0.5
209.04556	1.1
225.18105	0.2
329.08682	0.7
330.10883	0.8
330.20386	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0881
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03452	0.3
59.01386	3.6
59.81995	0.3
63.02415	0.3
65.00331	0.8
69.03451	0.3
71.01389	0.8
74.98132	0.3
81.03474	5.2
83.01395	2.9
85.02982	0.6
87.97933	0.3
93.03464	0.5
95.05019	1.4
97.02964	1.0
99.04523	1.1
107.01409	0.7
107.05109	0.3
109.02949	0.4
117.03483	0.4
123.04546	35.5
124.04852	1.6
125.02459	5.1
131.01439	0.4
135.00894	0.4
135.04561	0.8
137.02441	0.9
137.06099	0.4
139.04001	1.0
149.02446	1.4
151.00371	1.1
151.03989	0.7
160.04063	1.2
160.05305	0.4
161.04724	0.4
163.04054	1.2
166.02715	0.6
167.03519	100.0
168.03862	4.8
175.00397	1.3
175.07814	0.5
179.03505	0.9
180.04323	0.6
181.05098	2.9
189.04390	0.9
191.03528	22.7
192.03937	1.6
209.04582	8.6
210.04884	0.5
221.04601	2.8
223.09747	0.7
233.04485	0.4
267.11383	0.4
269.06946	0.5
269.10580	0.4
299.10327	0.5
311.10669	0.6
329.08548	2.8
329.11472	0.7
337.64383	0.3
350.18008	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0881
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01388	0.9
70.67256	1.5
71.01377	0.7
79.05537	0.5
91.32254	0.5
101.02478	1.0
108.02191	60.0
109.02514	1.4
113.58884	0.5
123.00898	0.6
123.04543	24.1
124.04858	0.9
149.02486	0.7
152.01170	42.1
153.01556	1.7
154.58247	0.5
167.03517	100.0
168.03865	4.5
236.72922	0.6
329.08707	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	329.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88364	1.2
69.33399	2.1
69.33804	11.9
71.37399	1.4
84.21548	1.2
86.43785	1.4
98.19861	2.4
107.83980	1.9
139.11284	1.5
141.85695	1.2
170.02280	1.8
171.04532	1.7
183.13858	2.2
185.02335	1.7
187.04066	2.7
199.04021	4.1
203.87201	1.6
207.10211	5.3
211.13396	11.8
212.92171	1.7
215.03514	4.0
222.65634	1.5
223.09824	3.3
229.14444	6.4
243.02879	3.9
271.02493	29.7
272.02945	3.5
286.04868	15.4
298.01178	5.1
299.01993	30.4
300.02310	3.0
311.13004	1.9
314.04370	58.7
315.04724	5.6
329.06683	100.0
329.23331	33.8
330.07022	11.8
330.23596	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.3
63.02410	0.7
66.68278	0.5
71.54578	0.5
71.54959	1.1
82.99136	0.5
83.72443	0.6
90.26674	0.5
101.56918	0.6
103.13134	0.6
107.01378	0.7
119.05003	0.5
126.83290	0.6
128.79118	0.5
135.00911	0.9
146.93042	0.5
147.07018	0.6
149.02431	1.1
151.00369	2.0
170.02167	1.0
171.04507	0.8
199.03996	1.3
207.10257	2.5
211.13371	0.7
215.03505	1.3
223.09755	1.1
227.03499	2.0
243.02986	8.1
255.03094	0.6
269.04581	1.7
271.02496	82.2
272.02832	6.9
283.02472	0.7
285.04227	1.8
299.01990	94.1
300.02365	7.3
311.12900	0.7
313.03519	2.6
314.04355	26.3
315.04694	2.4
329.06677	100.0
329.23257	4.1
330.03427	1.1
330.07040	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	329.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01441	3.9
65.00378	1.1
71.01411	0.8
74.19592	0.8
80.14449	0.8
83.01463	0.9
85.02999	0.9
96.72529	0.8
98.44368	0.8
100.73571	0.9
107.01459	1.0
119.05120	1.2
123.04703	0.9
127.05619	0.7
129.02043	1.1
131.01445	1.5
133.02972	5.1
137.02504	0.8
145.79018	0.7
148.01736	1.3
148.07774	1.1
149.02486	1.5
149.99623	1.4
151.00453	1.4
155.05009	3.5
155.10887	2.6
157.03143	0.9
159.04593	1.3
161.99954	0.8
162.05717	0.8
163.00444	2.4
165.02023	1.9
165.09349	0.8
166.81403	0.9
167.03600	2.3
167.05019	0.8
170.02286	1.7
171.04539	3.7
173.02589	1.2
175.00409	1.5
175.04102	2.8
183.03014	1.2
183.04544	8.3
185.02478	1.9
187.04059	1.3
188.04840	1.0
191.45889	0.6
198.03204	0.9
199.04068	6.9
199.09750	1.3
200.70947	0.7
201.02010	4.2
202.02821	1.5
203.03546	2.3
207.10361	2.2
210.30727	0.8
211.04037	3.8
213.02040	2.3
215.03499	5.6
216.72729	0.7
217.05125	2.4
223.09709	5.8
226.02818	1.1
227.03523	25.5
228.04034	2.5
229.01495	5.1
229.05067	0.9
230.02209	1.1
237.01961	1.8
241.05090	1.6
242.02338	2.0
242.05933	2.3
243.02994	12.4
244.03691	1.5
253.01678	0.9
254.02225	1.1
255.02994	8.9
257.04584	1.4
270.01694	2.9
270.04968	0.8
271.02515	26.1
272.02863	2.7
281.00998	1.2
283.02542	1.7
285.04044	12.2
286.04657	4.0
299.02008	41.1
300.02347	2.8
313.03635	1.0
314.04355	100.0
315.04648	8.3
329.03119	6.7
329.06674	82.5
329.14050	2.7
329.23218	0.9
330.03436	1.2
330.06952	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	329.0668
Annotation	9-Demethyl FR-901235
Peak:m/z	Relative Intensity
51.57739	0.5
58.00580	0.6
59.01390	4.1
70.09173	1.8
74.72643	0.5
78.11774	0.6
96.96028	0.8
97.54028	0.6
99.08168	1.5
101.19967	0.7
110.00090	1.3
117.00425	0.7
123.04533	1.6
125.41611	0.6
129.09158	0.8
133.03029	1.1
135.04550	0.7
137.02470	0.8
139.03999	0.8
139.11327	0.6
143.05038	0.9
155.05026	1.1
164.98322	0.9
165.09261	0.8
165.99101	3.7
170.02193	2.0
170.88472	0.7
171.04524	2.1
171.10251	1.5
183.04536	1.6
187.04021	3.3
197.02531	0.9
199.04025	4.3
199.13367	1.2
201.01765	0.8
207.10303	9.0
211.13411	1.0
215.03470	5.9
223.09798	1.1
225.01970	5.3
226.02481	0.8
227.03668	2.9
229.14456	0.7
242.02293	1.0
243.03009	5.6
253.01407	1.0
270.02002	0.7
271.02499	100.0
272.02826	7.8
285.04156	1.9
286.04675	0.6
299.01968	10.8
300.02328	0.6
311.12915	1.3
311.22174	1.4
314.04358	31.3
315.04590	3.6
329.06680	50.9
329.13232	2.1
329.23358	28.1
330.07016	4.5
330.23709	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	329.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22208	0.5
59.01373	1.7
68.51568	0.4
85.02964	1.0
95.01379	0.7
98.19879	1.1
103.23734	0.4
109.02960	0.7
110.00121	0.5
123.00902	0.8
135.04564	0.9
137.02448	1.7
145.02916	0.9
151.03993	1.0
155.05125	0.5
159.04572	0.6
160.05234	0.5
161.02483	1.8
164.41214	0.5
165.09174	1.5
170.02197	1.8
171.04504	1.2
173.02591	0.5
175.04012	1.1
181.08728	1.0
183.04588	0.5
185.02473	1.1
187.04062	1.7
197.02380	0.5
199.04045	5.2
201.01956	1.9
203.03427	0.8
207.10274	9.0
208.10565	0.6
213.05502	0.6
214.02780	0.6
215.03520	4.9
223.09795	7.5
226.02609	0.6
227.03511	1.9
242.02264	1.0
243.03072	3.6
253.01360	0.7
255.03069	1.5
270.01740	0.5
271.02509	11.3
272.02856	0.9
282.01773	0.8
285.04059	3.3
286.04807	1.7
298.01315	4.2
299.02008	45.3
300.02512	4.3
300.51599	0.5
311.12857	1.3
311.56644	0.5
313.03610	0.9
314.01260	1.1
314.04355	43.2
315.04660	4.3
329.06702	100.0
329.13950	2.9
329.23373	2.5
330.03806	0.4
330.07040	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	329.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10780	0.7
59.01371	2.4
69.48032	5.4
90.31024	0.8
98.19904	1.1
137.02325	0.9
151.00389	2.8
161.02455	18.0
175.04108	0.9
183.04556	2.5
185.02528	3.9
187.00349	1.7
196.38759	0.8
199.04034	3.2
201.02008	1.0
202.88107	0.7
203.03510	7.7
207.10265	2.7
215.03537	2.6
223.09737	2.4
227.03511	19.4
228.03868	1.7
229.01440	2.4
229.14397	1.0
235.02670	0.8
243.03023	7.3
271.02505	48.4
272.02740	4.0
285.04068	2.4
285.12112	1.0
297.04074	0.9
299.01996	95.5
300.02359	8.7
313.03482	5.4
314.04330	66.1
315.04651	6.5
329.06683	100.0
329.23328	4.5
330.06989	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	329.0307
Annotation	Kermesic Acid
Peak:m/z	Relative Intensity
56.92679	0.3
59.01388	0.6
63.02390	1.0
65.00336	3.6
69.29118	0.3
71.01371	0.4
83.01390	2.1
85.02979	0.4
92.60817	0.3
93.03471	0.5
98.20630	1.1
105.03448	0.8
107.01404	6.7
119.05051	0.4
121.02978	1.6
132.02269	0.6
133.02977	29.0
134.03314	1.4
147.04538	0.4
149.02449	3.7
150.30267	0.3
151.00377	11.8
152.00711	0.4
153.09238	0.9
171.04489	0.7
171.52332	0.3
173.06161	0.4
175.04031	6.7
185.06099	1.0
187.04041	0.3
189.05557	0.5
197.06110	0.7
198.03226	1.5
199.03999	5.3
201.01956	1.9
211.03957	0.4
213.05545	1.2
215.03569	1.0
217.05061	3.0
223.03992	0.8
223.09778	2.5
226.02730	0.4
229.05138	0.5
240.04340	0.4
241.05084	1.3
243.03046	1.3
257.04568	0.9
267.03070	0.8
285.04083	100.0
286.04410	9.6
299.02005	0.4
329.03073	20.2
329.23196	0.5
330.03406	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	329.065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	15.5
69.39584	17.4
71.01394	21.6
71.67986	2.1
73.02950	6.4
73.48895	2.0
75.31358	2.5
82.49018	1.9
85.02958	8.2
86.60659	2.0
87.00887	10.7
89.02447	7.1
89.95780	2.2
101.02473	6.4
101.21655	2.0
108.02193	36.8
113.02464	8.9
119.05068	2.8
121.02969	2.8
122.03761	100.0
122.06155	18.1
123.04558	53.8
124.04886	2.9
131.03534	5.4
134.04771	5.1
134.06157	2.5
135.05151	4.1
136.07692	10.0
137.06073	2.6
143.03584	2.5
149.02492	4.9
150.05620	49.2
152.01170	28.3
152.07176	3.6
161.04565	9.6
165.05574	6.7
167.03511	73.1
168.03870	4.2
168.06642	3.2
177.05603	2.9
222.07933	2.5
293.08783	11.3
312.10886	24.7
319.84695	2.3
329.09421	12.4
330.12164	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	329.0218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76258	0.6
57.84195	0.5
57.85238	0.6
59.01388	41.8
61.98856	1.3
64.76103	0.6
67.06293	0.6
67.79338	0.5
68.77036	0.5
76.18588	0.5
87.00874	0.6
90.90591	0.5
98.20737	1.4
115.02543	1.8
117.00490	3.2
125.01002	0.9
126.98893	1.1
143.02014	3.0
145.00000	0.7
157.03609	1.1
159.01521	62.4
160.01656	4.7
168.99907	4.1
187.01010	100.0
188.00577	14.6
198.99518	0.8
201.02574	12.9
202.02783	0.9
241.00717	0.7
243.02553	0.5
287.01099	0.8
311.01071	0.7
329.02237	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	329.0305
Annotation	3,3'-di-O-Methylellagic acid
Peak:m/z	Relative Intensity
59.01382	1.9
59.30367	0.9
66.37109	0.9
68.99820	2.2
69.75467	2.2
69.75884	3.6
80.53784	0.9
95.01398	7.6
114.37139	0.9
123.00903	3.7
132.02179	1.7
139.11266	3.1
148.01782	1.1
158.03748	3.1
161.02498	1.6
163.00394	18.2
164.01199	12.9
169.02965	1.9
170.03763	2.0
171.10280	5.5
172.01707	3.6
174.03221	5.4
177.01939	4.6
179.03519	3.0
185.02448	2.6
186.03230	6.8
188.01152	3.5
189.01968	2.0
189.99068	1.1
190.02769	2.2
197.02510	1.5
198.03244	5.2
200.01166	2.1
201.01878	4.6
202.02721	3.2
205.01453	1.8
207.10318	5.1
209.02403	1.6
209.82709	1.1
213.01935	4.4
214.02739	17.3
215.03308	2.2
216.00674	2.1
225.01764	1.6
226.02731	4.2
229.01387	1.1
230.02231	3.7
241.01619	1.0
242.02222	22.7
243.02522	1.7
244.30592	1.0
252.00737	1.8
253.01472	2.2
257.04572	2.6
258.01709	17.5
269.00958	13.0
270.01694	11.7
271.69482	1.0
285.00989	1.7
285.04126	6.8
286.01233	80.7
287.01633	6.2
297.00421	2.9
298.01224	3.7
299.02036	1.1
301.03583	35.0
302.03879	2.6
314.00732	5.6
314.03873	1.2
328.22171	1.1
329.03079	100.0
329.23346	13.6
330.03394	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	328.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
59.01381	1.0
69.03447	0.9
71.54967	0.5
72.00918	14.0
74.02483	100.0
75.02821	1.3
80.87656	0.3
89.56413	0.3
90.11250	0.4
93.76718	0.4
111.08176	3.1
118.05121	67.6
119.05446	1.2
133.02982	0.9
135.04556	0.7
137.02534	1.0
138.03186	0.6
151.04105	0.3
163.04030	0.5
165.09201	0.9
165.12860	22.4
166.13220	1.8
170.02243	1.4
171.04466	0.4
175.04045	0.4
181.12355	0.8
183.13925	1.9
188.03093	0.4
191.10904	0.6
199.04031	1.4
203.03539	0.9
207.10251	7.5
209.11816	2.0
214.02661	0.6
222.14999	1.5
223.09814	2.1
227.03516	1.0
227.12981	2.7
243.02988	1.5
266.13898	0.6
270.01462	0.6
271.02484	7.2
281.69263	0.5
284.15051	26.0
285.03989	2.4
285.15259	2.4
286.04791	4.0
297.04019	0.5
298.00827	1.6
299.01990	1.0
301.07129	2.4
311.12854	0.9
313.03281	2.7
314.04276	2.4
328.05524	2.3
328.17691	30.9
328.21960	1.2
329.03076	0.8
329.06677	6.4
329.14148	0.6
329.17969	3.1
329.23160	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55655	1.5
59.01380	6.4
61.59524	1.4
66.22414	1.6
69.62412	10.0
71.01418	1.6
74.02475	9.0
85.75835	1.6
88.04044	1.5
104.03606	1.9
109.02953	1.6
111.08161	1.7
119.05120	1.4
123.00903	1.7
127.11281	2.9
131.38525	1.6
135.04544	5.6
137.02435	3.1
139.03970	1.6
139.11305	3.1
148.94402	1.5
162.61412	1.9
163.69565	1.5
165.09236	1.8
165.12871	7.6
166.13110	1.8
167.43010	1.5
170.02243	5.2
171.10257	9.1
190.16058	7.3
194.15480	6.5
207.10271	20.1
208.17139	4.2
211.13478	2.5
218.12610	1.6
222.15018	100.0
223.09795	8.7
223.15346	8.7
234.14969	13.9
252.16090	4.3
254.17671	20.3
255.18034	2.7
266.14114	10.8
266.17584	10.7
271.02469	3.4
278.14001	11.7
284.19519	2.1
285.03952	3.4
298.00739	2.1
298.16608	15.2
299.02081	2.7
299.17334	2.1
310.16641	14.9
314.04282	5.8
328.05466	6.0
328.09067	2.4
328.17703	16.9
328.22150	22.1
329.03128	3.4
329.06665	10.4
329.10315	3.2
329.14127	3.4
329.23389	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2907
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
58.16884	0.6
59.01388	100.0
59.85660	0.6
60.01723	1.2
70.94791	1.2
72.38484	0.7
98.84373	0.6
115.05045	0.7
181.49074	0.6
232.56848	0.6
327.29065	62.9
328.29382	7.1
337.59811	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
59.01389	3.3
69.03460	1.0
69.43431	4.7
72.04559	2.5
74.02483	100.0
75.02841	1.2
78.37506	0.6
85.02985	0.7
97.06538	0.8
111.08175	1.5
118.05119	2.3
119.05052	1.4
137.02473	0.7
138.03218	1.2
165.09248	1.8
165.12868	15.2
170.02225	2.6
183.13927	17.1
186.97391	0.7
188.24222	0.7
194.15575	1.1
205.09006	0.8
207.10310	10.2
207.13939	2.5
208.20047	0.8
209.11827	2.2
212.13828	0.7
222.15051	21.7
222.18564	12.4
223.09778	3.3
223.15347	1.8
223.18965	1.0
227.12912	19.1
240.16072	6.5
249.14967	1.1
251.12900	8.8
265.14429	1.0
266.14005	17.5
266.17676	7.0
267.14383	1.3
284.15057	25.3
285.04044	1.4
285.15430	2.2
292.15656	0.8
293.13919	1.8
297.04105	1.9
298.01093	1.5
310.16718	1.0
311.13055	1.5
313.03522	1.9
314.04245	0.7
316.25751	0.8
320.57480	0.8
328.05566	2.7
328.17725	37.8
328.22052	4.4
329.06689	1.1
329.18048	4.2
329.23312	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2179
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03452	1.4
59.01375	0.7
65.44762	0.6
69.03455	0.9
71.01821	0.9
71.02165	1.1
75.23043	0.7
85.02958	4.0
95.05000	1.0
97.06586	5.7
107.95809	0.7
110.03738	0.9
125.09738	1.6
127.11317	2.0
132.72549	0.7
155.10800	0.8
155.14372	1.0
165.12804	1.3
167.14478	1.1
171.10281	11.3
177.12865	1.2
183.13885	6.7
185.11841	2.0
192.73622	0.8
193.12389	1.9
203.10710	0.8
209.11816	1.6
211.13405	26.6
212.13719	1.7
221.11858	3.8
229.12305	1.4
229.14447	16.0
239.12831	2.5
269.00696	0.7
291.19583	3.6
292.20120	0.7
327.21774	100.0
328.22119	9.8
332.77850	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2178
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01848	0.5
57.03442	1.8
58.11006	0.4
59.01376	2.3
59.94504	0.4
65.00338	1.0
69.03439	1.1
69.30542	4.0
71.01386	1.5
71.05030	0.7
81.03471	0.6
83.01381	0.6
83.05041	1.6
84.02178	0.6
85.02959	7.1
95.05036	1.5
97.02949	0.6
97.06609	6.5
99.08073	0.5
107.01405	0.9
110.03764	0.6
119.05036	1.3
121.02982	1.1
123.04551	0.5
125.02470	0.7
125.09711	1.7
127.11273	1.3
129.72505	0.5
133.02975	1.6
135.04530	2.4
137.09770	0.9
147.04515	3.1
149.02504	0.9
151.00383	2.0
155.10780	1.3
155.14441	0.6
161.02412	0.6
163.04013	0.8
163.33435	0.4
165.12848	1.5
167.14433	1.1
171.10286	12.3
172.10547	0.5
175.03999	1.4
177.12834	1.6
179.03502	0.7
183.13916	6.2
185.11887	1.7
193.12326	1.4
197.11879	0.6
205.08618	0.5
209.11813	1.5
211.13409	24.2
212.13673	1.6
221.11815	4.4
227.12825	0.6
229.14438	16.8
230.14867	0.8
239.12946	3.2
267.26324	0.5
281.04718	0.5
283.06189	1.0
284.03345	1.0
284.06494	0.7
291.19669	4.9
299.05624	3.9
309.20743	2.3
327.01447	6.3
327.05139	11.8
327.21786	100.0
328.01855	0.6
328.05481	1.2
328.22104	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	327.124
Annotation	2,3,4,6,7-Pentamethoxyphenanthrene
Peak:m/z	Relative Intensity
60.81973	0.4
68.99822	10.1
69.52278	3.6
79.05526	1.0
81.07098	0.6
95.01402	1.6
96.99310	4.5
105.07106	1.0
107.05049	2.5
108.02208	0.6
116.02713	0.6
117.03474	1.8
119.05048	5.7
121.06613	0.7
130.04251	1.2
132.05817	0.8
133.02966	0.8
134.03737	0.8
135.04494	2.5
139.00388	0.5
143.05025	3.1
145.02985	3.0
145.06590	0.6
149.06097	0.8
158.03760	2.0
159.04509	3.5
160.05296	1.1
167.07158	2.2
171.04514	3.9
172.05328	0.7
175.07658	5.9
183.26289	0.5
185.02448	2.0
186.03270	7.4
187.04028	6.7
199.04031	1.9
199.11302	1.5
200.04790	0.8
201.05576	3.5
207.08125	0.8
213.01817	0.6
215.03525	27.1
216.04198	5.6
221.09540	0.5
225.09187	1.3
229.14514	1.2
230.05984	1.0
235.07680	2.1
244.03778	1.9
248.03214	0.9
249.09190	1.4
250.10115	0.7
253.08809	1.5
262.04831	1.7
265.12311	0.7
267.10294	1.2
271.09851	0.7
276.02765	1.1
283.13376	2.2
284.10684	0.6
290.04495	0.6
312.06433	1.0
312.10056	17.2
313.10373	1.8
327.12396	100.0
328.12756	11.8
328.22186	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1604
Annotation	Nepetaparnone
Peak:m/z	Relative Intensity
50.07451	0.3
51.10109	0.3
51.80970	0.3
59.01398	0.3
68.99826	1.9
69.56232	2.1
75.39433	0.3
81.03453	0.6
83.01404	1.0
95.01418	1.2
96.02190	0.3
97.02944	0.7
105.30706	0.3
106.56203	0.3
109.02962	3.2
111.00913	1.3
117.47199	0.3
119.05054	2.7
123.00901	6.7
124.01699	2.8
135.04495	0.3
137.02458	12.8
138.03253	8.7
139.03517	0.4
145.02896	0.4
151.04031	1.1
153.01945	1.1
156.00658	6.9
165.09227	6.2
170.02226	45.9
171.02597	1.9
180.07956	0.6
188.04720	0.7
191.07164	1.2
200.50673	0.3
203.07196	0.8
205.08704	0.9
206.09500	1.4
219.10268	4.1
238.08475	2.5
243.06544	2.5
244.07419	0.8
257.08246	2.1
276.06473	0.4
290.08011	1.8
295.13544	0.8
312.13666	3.3
313.14273	0.3
327.16034	100.0
328.16351	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	327.1089
Annotation	Paeonoside
Peak:m/z	Relative Intensity
55.01871	1.2
58.00593	1.7
59.01387	37.0
69.74564	5.5
71.01387	21.3
71.58433	0.8
72.99318	3.8
80.05936	0.8
83.01431	1.8
85.02974	5.0
87.00860	1.2
88.11818	0.8
89.02452	18.1
95.01376	1.8
98.19995	1.9
101.02461	11.3
103.01137	1.0
103.05556	2.5
104.03594	1.0
113.02475	5.6
119.03540	7.8
119.05039	5.5
121.06640	1.1
123.04559	2.0
131.03543	0.9
136.07677	1.3
137.98824	0.9
143.03506	1.4
145.02908	1.0
147.04539	100.0
148.04858	4.8
157.86487	0.9
165.05585	14.0
166.05925	1.3
285.09866	1.5
319.24280	0.9
327.10916	60.2
328.11078	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	327.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
58.00593	1.7
59.01387	37.0
69.74564	5.5
71.01387	21.3
71.58433	0.8
72.99318	3.8
80.05936	0.8
83.01431	1.8
85.02974	5.0
87.00860	1.2
88.11818	0.8
89.02452	18.1
95.01376	1.8
98.19995	1.9
101.02461	11.3
103.01137	1.0
103.05556	2.5
104.03594	1.0
113.02475	5.6
119.03540	7.8
119.05039	5.5
121.06640	1.1
123.04559	2.0
131.03543	0.9
136.07677	1.3
137.98824	0.9
143.03506	1.4
145.02908	1.0
147.04539	100.0
148.04858	4.8
157.86487	0.9
165.05585	14.0
166.05925	1.3
285.09866	1.5
319.24280	0.9
327.10916	60.2
328.11078	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	327.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86140	0.2
55.01881	0.2
59.01377	0.3
59.09404	0.2
59.99679	0.2
63.02405	0.2
65.00333	1.2
69.03474	0.3
71.54964	0.3
77.03966	1.8
79.01903	1.7
81.03468	0.9
83.01381	1.2
85.02932	0.3
91.05529	0.3
93.03466	7.4
95.01402	0.5
95.05053	0.4
96.99316	1.3
97.02963	2.0
99.92496	0.2
105.03476	1.3
107.01387	1.5
107.05062	0.4
108.02220	0.2
109.02960	3.6
117.03474	0.7
119.05035	9.7
120.05377	0.5
121.02971	4.1
123.00891	0.4
123.04562	1.1
125.02467	3.0
130.04240	0.6
131.05043	1.5
132.02203	1.0
133.02968	28.5
134.03555	0.9
135.00839	0.2
135.04539	3.4
137.02396	1.1
143.05046	5.0
144.05365	0.4
145.03006	1.8
145.06618	0.8
147.04535	2.0
148.01668	1.1
149.02437	2.3
151.00360	0.6
151.04048	0.9
159.04550	0.3
161.02464	0.8
163.00392	1.0
163.04028	9.7
164.01180	0.3
164.04370	0.4
165.01944	2.8
165.09239	0.3
167.05176	0.2
171.04564	1.2
172.94672	0.2
173.02443	0.8
174.03166	0.3
175.04004	4.2
176.01039	0.3
176.04413	0.2
177.01952	0.6
183.04515	0.4
184.05197	0.3
185.06076	0.7
187.04156	0.2
187.07730	0.2
189.01970	0.7
191.03539	2.9
193.01434	3.3
195.04582	0.6
196.05334	0.2
198.03268	0.5
199.04024	2.1
199.07632	0.5
200.04765	0.4
201.01944	2.1
201.05498	0.2
209.06105	0.5
210.06787	0.3
211.04080	1.3
211.07643	2.3
212.04736	1.1
212.88257	0.2
213.05600	2.1
214.05835	0.3
216.04228	0.3
217.05098	0.5
219.08139	0.4
219.91258	0.2
221.09830	0.5
222.06862	0.3
223.07674	0.5
225.05563	0.6
225.69815	0.2
226.02710	0.3
226.06250	0.3
227.03516	0.8
227.07202	0.6
229.05110	0.5
231.06615	0.6
235.07587	1.2
236.08104	0.2
237.05537	0.7
237.09203	2.9
238.09576	0.3
239.03477	0.7
239.10785	0.5
240.04274	1.5
241.05103	1.5
242.02219	0.6
243.02960	0.6
243.06639	0.5
247.07600	0.3
253.04933	1.0
254.05904	0.2
255.02953	0.5
255.06648	1.5
256.03720	0.9
257.04453	0.5
259.06018	0.2
265.08682	5.1
266.08936	0.5
269.04623	0.4
270.05371	0.3
271.06088	0.7
281.04617	0.8
282.05368	0.3
283.02585	0.5
283.09680	2.7
284.03268	13.6
285.03757	1.4
297.04031	2.2
298.04834	5.6
299.05618	24.2
300.05945	2.7
309.04086	0.7
309.07761	1.5
327.05115	100.0
327.08780	22.4
328.05527	10.6
328.09106	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	327.0513
Annotation	Irisoid A
Peak:m/z	Relative Intensity
52.83707	0.4
59.01378	0.5
65.00334	1.0
67.55684	0.3
68.99817	0.6
69.70315	2.7
83.01389	0.7
95.01396	1.8
106.09447	0.4
107.01407	0.6
110.00101	0.6
133.02930	1.0
135.00792	0.6
135.04585	0.4
135.06001	0.4
137.09723	0.4
146.03731	0.4
148.01668	0.9
149.99542	0.7
151.00395	1.8
152.30077	0.4
158.03806	0.4
161.02496	1.1
165.12857	0.7
169.03023	0.5
171.10262	1.4
172.27367	0.4
173.02489	0.7
174.03229	0.7
176.01134	0.4
177.01961	0.9
182.03708	0.8
183.04555	1.1
183.13770	0.5
192.00586	0.5
195.04419	0.5
197.02461	0.6
198.03233	2.1
199.04013	0.5
200.04736	0.6
201.01921	1.1
211.04041	4.9
212.04837	4.6
214.02693	1.0
215.03532	0.8
216.04282	3.2
225.02003	0.7
226.02747	2.2
227.03516	3.3
228.04298	0.7
239.03476	3.1
240.04294	6.4
241.01483	0.4
241.04785	0.5
243.03041	0.7
244.03700	0.7
254.02235	0.6
255.03004	11.0
256.03644	3.4
267.03018	1.3
268.03598	0.7
269.00955	0.6
271.91318	0.4
282.01651	1.7
283.02505	32.0
283.19208	0.7
284.03223	17.0
285.03543	1.0
299.05621	3.1
311.01996	16.2
312.02750	27.1
313.03220	2.5
327.05118	100.0
327.21768	5.6
328.05435	9.0
328.21829	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0513
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
50.62919	0.4
59.01370	0.7
59.41334	0.5
61.00858	0.5
62.73340	0.5
65.00315	0.6
68.99825	0.7
69.52488	3.6
69.63828	0.5
71.41751	0.5
81.03951	0.5
82.15368	0.5
83.01409	0.5
95.01402	1.2
107.01406	1.3
113.09779	0.5
119.05003	0.6
124.01757	0.5
125.09818	0.5
127.11261	0.8
129.09219	1.7
133.02994	1.0
133.06635	0.6
135.04527	2.1
141.09200	1.0
149.99535	0.7
151.00371	2.0
155.10773	3.6
161.02377	0.9
171.10242	2.1
172.01659	0.6
173.02452	0.7
174.03290	1.1
176.01155	0.6
177.01851	0.7
182.03691	0.7
183.04559	1.6
184.05237	0.6
185.11838	2.4
187.03990	0.8
191.03575	0.6
195.04562	0.9
197.11847	2.3
198.03319	2.9
199.04028	1.1
201.01920	1.2
201.11307	3.7
211.04050	4.5
212.04759	3.9
213.01974	0.8
213.11353	2.5
214.02702	1.4
215.03479	2.1
216.04262	3.9
226.02707	1.6
227.03526	3.1
228.04208	1.1
229.01422	0.6
239.03522	3.3
240.04324	7.4
243.03117	0.8
244.03731	1.2
254.02106	0.6
255.02992	12.3
256.03705	4.0
267.02966	1.5
282.01712	1.8
283.02518	31.8
284.03229	16.7
285.03644	1.4
291.19638	1.1
299.05557	2.6
306.33093	0.5
309.20715	2.2
310.98444	1.1
311.01996	17.8
312.02747	27.0
313.03146	2.2
327.05121	100.0
327.12225	3.7
327.21811	12.5
328.05475	10.0
330.27811	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0514
Annotation	4,2'-Epoxy-7,4'-dihydroxy-5,5'-dimethoxy-3-phenylcoumarin
Peak:m/z	Relative Intensity
57.03442	0.5
59.01351	0.6
61.30465	0.4
63.22193	0.4
64.56715	0.4
69.81718	0.6
69.82131	1.5
85.02935	1.4
104.03535	0.6
119.05075	2.1
133.02937	0.7
135.04495	0.7
139.91493	0.4
143.58676	0.4
163.14420	0.4
169.02812	0.5
171.10310	1.1
183.13863	1.7
185.02435	1.7
197.02411	1.2
213.01941	3.2
222.22295	0.5
225.01929	3.5
240.99110	0.7
241.01447	10.7
242.01817	0.6
253.01424	3.9
254.01863	0.4
269.00943	29.2
270.01404	1.8
281.04404	0.4
297.00424	100.0
298.00751	8.8
312.02792	57.6
313.03149	5.5
327.05124	40.2
327.11588	0.8
327.21835	8.6
328.05502	4.8
328.22244	0.6
345.38837	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.6
59.01388	2.6
69.93111	1.4
69.93521	0.9
84.02206	0.5
97.06588	0.7
106.41566	0.4
111.08169	2.8
115.73013	0.4
116.07191	100.0
117.07515	2.8
119.05025	1.6
122.90916	0.4
125.09718	0.6
127.07704	0.5
127.11315	0.4
135.04550	1.8
135.08195	0.6
137.09689	0.5
153.09181	0.9
154.09579	0.8
155.10870	0.5
159.04578	0.8
165.12869	7.4
169.12334	0.5
171.10266	3.6
172.10629	1.4
186.03200	0.7
188.04807	1.0
197.11852	9.1
199.13419	1.0
200.01212	0.6
201.11298	2.0
203.07201	1.2
206.97311	0.4
211.13443	0.9
215.03589	0.7
225.55753	0.4
227.12878	0.5
239.16441	0.5
269.00882	0.8
291.19644	0.8
295.99603	1.0
297.00424	14.4
308.19476	0.9
309.20804	1.2
311.02039	1.2
312.02759	5.9
312.06216	0.5
312.10138	0.6
326.19812	22.2
327.01627	0.6
327.05118	4.7
327.08630	0.8
327.12363	4.6
327.21909	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	327.0508
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
55.01888	0.2
55.26254	0.1
60.94715	0.1
63.02403	0.3
65.00336	1.3
67.01894	0.1
68.99820	0.3
69.03483	0.3
77.03976	2.1
78.04315	0.1
79.01904	1.9
81.03473	0.6
83.01393	1.2
83.70137	0.1
87.33483	0.1
89.03996	0.1
91.05551	0.3
93.03471	1.4
95.01402	0.3
95.05043	0.4
96.99353	0.1
97.02964	1.6
98.19878	0.2
105.03472	1.2
107.01398	1.6
107.05032	0.3
108.02187	0.2
109.02961	3.9
110.03296	0.2
110.52489	0.1
111.22486	0.1
117.03483	0.2
119.01443	0.1
119.05038	2.7
121.02974	3.9
122.03294	0.2
123.00896	0.6
123.04556	0.4
123.48603	0.1
125.02464	3.0
130.04248	0.1
131.01379	0.2
131.05028	0.2
132.02168	0.8
133.02974	27.3
134.03413	1.0
135.00920	0.4
135.04546	3.3
136.01657	0.2
137.02464	1.0
139.04031	0.2
143.05042	0.6
145.02963	1.0
146.03722	0.3
147.04539	2.0
148.01678	1.2
149.02451	2.0
151.00375	0.7
151.04018	0.9
157.02969	0.1
157.06590	0.1
159.04515	0.2
159.71346	0.1
161.02463	1.1
162.03284	0.2
163.00391	0.7
163.04027	6.3
164.01125	0.3
164.04332	0.4
165.01935	3.3
167.03537	0.1
169.06595	0.1
171.04504	0.4
172.05319	0.2
173.02435	0.9
173.06093	0.2
174.03218	0.4
175.00398	0.3
175.04019	4.6
176.01109	0.3
176.04385	0.3
177.01952	0.8
183.04506	0.3
183.08096	0.2
184.05315	0.3
185.06065	0.5
187.04068	0.4
187.07719	0.2
188.04726	0.2
189.01962	0.5
189.05685	0.2
190.02679	0.1
190.99940	0.3
191.03520	2.8
192.03847	0.2
193.01447	2.9
193.03229	0.1
194.01759	0.1
195.04561	0.2
196.05316	0.4
197.06143	0.3
198.03300	0.7
199.04021	2.1
199.07640	0.4
200.04706	0.4
201.01918	1.7
201.05516	0.2
202.02638	0.1
203.07127	0.2
209.06088	0.4
210.06793	0.2
211.04066	1.3
211.07614	0.6
212.04807	0.8
213.02336	0.1
213.05580	2.2
214.02763	0.1
214.06317	0.1
215.03447	0.4
215.07074	0.2
216.04189	0.1
217.05070	0.4
225.05614	0.7
226.02692	0.4
226.06192	0.3
227.03455	0.8
227.07068	0.8
228.04282	0.3
229.05104	0.8
231.06715	0.7
237.05580	0.7
237.09229	0.3
239.03484	0.4
240.04294	1.5
241.05098	1.3
242.02197	0.3
242.05507	0.1
243.02968	0.5
243.06703	0.3
252.04370	0.2
253.05060	1.0
254.05785	0.5
255.02936	0.7
255.06593	1.2
256.03873	0.9
257.04541	0.3
259.06055	0.3
265.04889	0.1
265.08743	0.4
267.03104	0.2
268.03748	0.1
269.04523	0.5
270.05328	0.3
271.06235	0.6
281.04605	0.9
283.02554	0.3
283.06409	0.2
283.09790	0.3
284.03287	13.9
285.03693	1.4
297.04068	2.3
298.01337	0.2
298.04831	5.7
299.05618	23.7
300.05957	2.3
309.04315	0.7
309.07462	0.2
325.03543	0.2
327.05121	100.0
328.05466	10.4
328.08493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2176
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
53.20393	0.5
59.01374	0.9
69.46090	1.8
69.46516	1.9
79.95744	0.9
83.91251	0.6
119.05063	1.3
119.83083	0.5
149.09741	86.5
150.10075	5.3
163.11310	100.0
164.11629	6.1
170.00475	0.6
183.01227	30.9
184.01962	3.8
197.02814	1.5
216.01051	1.4
265.25272	1.6
281.28326	0.8
307.26550	1.3
325.18298	63.2
325.21692	84.6
325.27161	8.4
326.18637	7.9
326.22034	11.5
326.27719	0.9
328.52527	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23219	3.8
55.67189	3.6
59.53910	4.2
61.98839	83.4
65.46177	4.3
67.27319	4.6
67.53802	4.0
75.16944	3.1
83.01392	4.5
84.99306	3.8
98.19898	11.2
119.05033	4.3
123.00887	3.9
137.02449	9.1
138.03261	7.6
156.00676	5.7
170.02217	34.1
219.06635	6.0
221.08134	5.6
224.34819	3.8
263.52682	3.9
327.12418	9.8
327.16025	100.0
327.21829	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	326.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06616	0.6
57.03453	1.1
59.01393	5.2
59.13899	0.6
63.26248	0.7
69.03463	1.6
69.53304	5.2
73.02942	0.8
73.27496	0.8
92.74498	0.7
95.84817	0.7
97.06618	0.8
98.19910	1.6
111.08176	2.2
114.09255	1.3
116.07192	100.0
117.07539	2.9
119.05054	2.1
125.09696	0.8
135.04533	4.4
137.09691	1.1
138.05470	0.8
142.01015	0.8
159.04539	1.0
165.12830	1.6
169.12346	1.6
171.10307	6.8
177.59302	0.8
181.12286	0.9
186.03326	1.2
188.04732	0.8
196.95514	0.7
197.11853	9.5
199.13455	0.9
201.05615	0.9
201.11336	2.3
203.07210	1.4
209.11873	1.0
210.12149	0.9
211.13449	1.6
215.03551	1.8
220.20766	1.7
236.20201	1.0
238.21814	2.3
264.19687	19.2
265.19998	1.8
282.20779	7.5
284.03342	1.0
291.19696	1.0
295.99597	1.3
297.00360	2.6
308.18698	23.3
309.18839	1.0
311.01947	1.2
312.02768	1.3
326.19769	49.3
327.05130	4.9
327.09006	1.2
327.12387	7.4
327.21976	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2024
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
55.01879	1.5
57.03446	1.8
59.01390	6.1
69.03452	1.9
69.36998	9.0
69.93841	1.0
71.01402	5.9
71.05028	5.8
73.02941	1.9
74.53431	1.1
74.73687	0.9
81.03428	2.0
82.23406	1.0
83.05038	8.7
84.02177	3.7
85.02969	1.2
91.09621	1.0
91.17785	0.9
95.05048	1.8
97.02950	1.4
97.06598	4.7
99.04520	1.4
99.08175	4.0
105.07201	1.1
106.04256	1.1
109.06608	1.5
111.08157	2.9
112.05313	2.1
115.07666	2.8
119.05092	1.1
121.06567	1.5
123.08212	5.6
124.05265	1.6
125.09729	7.2
127.07658	15.6
127.11296	1.4
135.08162	3.8
137.09706	1.2
139.07663	3.8
153.09233	13.1
154.09622	1.2
155.10773	3.0
163.11296	5.9
164.34795	1.0
165.12811	2.5
171.10291	23.0
172.10709	1.6
178.10004	4.2
180.65152	1.0
183.10353	1.3
185.11839	19.7
191.10699	1.7
197.11845	21.2
198.12250	1.2
201.11455	1.4
207.10295	1.2
209.11848	81.2
210.12209	5.6
211.13420	3.6
225.11368	1.4
227.12915	1.9
235.13449	2.5
236.10526	1.8
237.14967	1.7
238.12148	6.4
239.16441	1.7
245.19031	2.8
253.18225	1.3
256.13138	3.7
263.20285	1.2
265.17966	1.3
279.19656	2.1
281.21225	2.4
289.18146	10.9
290.18588	1.3
307.19186	100.0
308.19522	9.9
314.53967	1.0
325.20209	46.8
326.20465	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	325.2023
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
53.00698	3.3
57.03455	4.6
59.01387	27.2
59.95163	3.8
60.47437	3.2
66.30962	3.4
71.01379	17.6
71.54343	5.2
71.54766	4.4
73.02953	7.5
83.05050	9.3
84.02195	5.6
85.02964	7.3
90.36764	3.2
97.06627	5.5
99.08156	5.8
109.06615	7.3
111.08169	25.6
119.05036	71.6
119.05827	5.5
121.02905	4.4
123.08153	6.1
125.09750	13.8
127.07663	11.7
127.11272	5.8
132.18962	3.8
135.08203	5.4
139.07658	4.2
151.11348	4.1
153.09238	17.4
155.10811	10.9
163.11259	6.7
169.12338	4.2
171.10281	74.4
183.01219	12.1
183.10222	4.8
185.11853	43.7
187.11375	5.5
195.10303	6.6
197.11870	38.8
201.11382	39.2
205.05092	13.3
209.11858	44.6
209.60158	4.0
211.13512	7.2
213.11311	11.8
219.10303	6.3
223.06110	7.7
227.12836	11.7
228.11626	3.7
250.25722	3.5
272.97003	3.7
289.18094	15.3
307.19196	61.4
308.19458	12.9
325.07224	7.5
325.10794	29.0
325.14563	17.6
325.20285	100.0
326.20590	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	325.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.5
57.03462	2.7
59.01387	100.0
71.01394	18.5
71.53944	2.3
72.99316	13.7
73.02956	12.9
75.00889	1.8
83.01410	4.5
85.02959	11.7
85.47620	1.3
87.00867	1.2
89.02470	5.7
93.03469	1.6
95.01353	1.6
99.00890	3.2
101.02457	29.0
109.03020	2.6
113.02444	3.9
117.03471	4.8
118.14975	1.2
119.03587	1.5
119.05041	32.0
119.05834	2.4
120.05391	1.8
123.04543	1.8
133.02963	2.3
134.03775	1.8
135.04524	6.8
137.02452	1.7
145.02986	18.3
147.03056	3.1
147.50839	1.4
155.54539	1.6
161.01009	2.3
161.02481	2.6
161.04576	9.3
163.02512	22.8
163.04030	23.1
175.03983	2.3
178.02855	1.6
179.02029	2.1
179.03506	4.0
188.77400	1.5
203.03717	2.1
205.05136	1.8
205.07066	1.9
245.04491	1.6
265.12967	23.2
266.13251	1.8
278.51871	1.4
289.07242	3.1
325.05920	2.2
325.09525	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2025
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
55.55373	1.5
57.03443	7.4
58.00599	2.8
59.01390	5.8
69.03456	2.4
71.01392	2.0
71.05027	2.6
80.02670	1.1
83.05036	3.4
84.02184	1.9
87.04556	1.6
96.95974	1.7
97.06609	4.1
98.19873	2.6
99.08164	1.6
110.03765	1.7
111.08172	22.7
119.05035	2.7
123.08179	6.0
125.09743	32.3
126.10045	1.7
127.07665	3.5
127.11314	12.1
127.93469	1.3
135.08153	4.5
137.09756	8.6
139.11334	2.6
141.09244	3.6
150.24886	1.4
151.11327	6.1
153.09253	7.2
155.10826	7.9
164.08485	3.2
165.09209	2.5
167.10777	2.7
171.10312	22.6
177.09229	1.3
183.10300	2.8
185.11841	4.1
191.14389	2.3
195.10258	3.4
197.11874	4.8
199.09805	2.9
201.11349	84.1
202.11670	4.1
209.11848	17.5
211.13402	1.9
213.11348	59.0
214.11659	3.6
227.12875	1.6
238.12070	1.7
245.19241	2.5
250.12154	1.4
256.13205	1.7
260.06866	1.4
289.18091	26.3
290.18542	1.8
307.19177	61.4
308.19574	6.4
325.20230	100.0
326.20685	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55048	0.2
57.41908	0.2
59.01384	0.4
65.03970	9.4
66.04299	0.3
67.76067	0.2
70.55077	0.5
70.55452	0.4
89.03989	0.2
91.01897	1.5
106.04281	0.6
106.10606	0.2
107.05042	14.2
108.05354	0.4
109.02965	9.4
117.03578	0.2
119.05060	0.6
122.03786	0.4
133.02985	0.3
135.00903	2.2
138.90508	0.2
150.03279	0.3
151.04021	100.0
152.04361	5.0
153.02013	0.3
161.09753	1.7
162.01776	0.2
163.04028	1.3
177.05365	0.2
178.99963	0.2
254.85077	0.2
325.10956	0.4
325.14471	9.5
325.18021	0.4
326.14902	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1449
Annotation	Trigonostemone
Peak:m/z	Relative Intensity
57.90796	0.3
59.01361	0.4
59.03548	0.2
69.94138	1.4
83.78404	0.3
93.03481	3.7
107.05043	0.5
109.06586	0.7
119.05024	0.6
121.02953	0.9
122.03770	2.0
135.04558	1.5
136.01479	0.3
136.05325	4.4
146.03764	0.3
149.02478	0.6
150.03218	1.0
151.04015	0.4
159.08162	1.3
160.08948	0.6
163.04033	9.3
164.04816	19.5
165.05139	1.2
175.04018	5.8
175.11317	1.3
176.04710	1.0
177.09235	4.5
188.11530	0.3
196.03857	1.9
201.09198	0.9
201.33922	0.3
203.07176	1.6
204.08269	0.3
204.78603	0.3
219.10283	100.0
220.10608	8.1
231.10210	1.3
325.14487	23.1
326.14816	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	325.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.8
59.22316	0.5
69.20816	4.2
69.21217	0.7
71.01392	0.6
72.99317	12.6
76.13414	0.5
79.05529	4.7
81.03455	2.4
82.42125	0.4
83.01392	0.5
86.72478	0.5
93.03487	1.6
105.06465	0.5
107.05048	1.8
116.04478	0.5
116.89346	0.5
123.04539	43.4
124.04865	2.1
132.20601	0.6
135.04538	38.6
136.04858	2.0
137.21686	0.5
139.11301	3.9
149.02483	0.7
162.03221	0.8
163.10077	1.0
163.11313	13.8
175.11295	4.4
182.94798	0.5
186.02933	0.5
189.05481	0.6
191.10780	2.1
193.12268	0.5
194.63998	0.5
207.10275	100.0
208.10635	5.7
212.39348	0.6
219.10274	40.4
220.10625	3.2
263.09256	23.5
264.09628	1.7
281.10266	3.8
325.09393	8.9
333.36234	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1081
Annotation	Fortunolide B
Peak:m/z	Relative Intensity
50.32215	0.3
53.70586	0.3
53.80608	0.3
57.03458	2.2
59.01386	1.7
64.79127	0.3
65.93528	0.3
70.03725	1.3
71.05021	0.5
71.89094	0.3
78.24953	0.3
86.96387	0.4
91.01899	2.0
93.03484	0.8
95.05024	0.5
98.19983	0.5
101.28365	0.5
117.03502	0.5
119.05042	100.0
120.05366	5.8
121.02975	5.5
125.09680	0.6
127.07635	0.4
133.06615	3.3
135.00900	5.2
135.04579	0.5
143.05072	0.5
145.02977	1.2
146.03754	5.3
149.09496	0.4
151.11310	0.4
153.01949	2.1
153.09239	0.6
159.04536	3.8
160.05293	1.1
161.02406	0.5
161.06123	3.5
163.47942	0.4
165.73146	0.3
171.10275	1.5
183.01239	1.0
197.11853	1.1
204.07486	0.4
205.05083	24.2
206.05405	1.9
208.05357	0.4
209.11719	0.5
211.07603	0.5
215.13115	0.4
223.06136	14.9
224.06487	1.1
225.05579	0.6
227.12903	1.2
228.07185	0.4
229.14476	1.3
255.06689	2.2
267.06656	5.0
279.19702	0.5
307.19226	1.2
325.10812	48.2
325.20203	5.7
326.11230	5.7
326.20413	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.8
69.35584	4.1
93.03506	0.6
98.19899	0.7
109.02962	1.9
119.05043	100.0
120.05387	4.2
123.04549	0.7
125.02482	0.6
125.81804	0.4
137.02374	0.6
154.69777	0.5
163.04033	74.3
164.04346	3.5
199.03267	0.6
203.07184	0.9
205.05057	0.6
243.25902	0.5
245.08290	1.0
266.00626	0.6
289.07211	4.5
289.68298	0.4
314.04813	0.6
325.13715	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0931
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
59.01367	0.4
66.46392	0.6
77.36970	0.4
93.03487	0.5
98.20779	0.6
106.83845	0.4
107.37529	0.4
109.02953	0.5
117.03484	1.7
119.05042	100.0
120.05378	5.1
123.04517	0.4
145.03000	4.7
161.06084	0.6
163.04027	68.3
164.04366	4.3
181.74744	0.4
200.10684	0.4
205.04874	0.5
221.35085	0.4
245.08170	0.7
289.07245	1.6
325.09613	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0931
Annotation	MEGxp0_000552
Peak:m/z	Relative Intensity
57.61554	0.3
58.00615	0.4
59.01387	5.7
66.90327	0.3
71.01382	2.6
71.54337	0.4
72.99324	0.3
80.20500	0.3
85.02948	0.9
87.00898	0.5
89.02449	2.7
101.02489	1.5
113.02504	1.0
117.03484	21.7
118.03834	0.6
119.03563	0.6
119.05049	7.0
121.02991	0.4
124.86674	0.3
132.05824	0.3
133.06511	0.3
135.04597	0.4
145.02977	100.0
146.03316	5.4
156.03275	0.3
159.04599	0.5
161.06081	1.2
163.02684	0.4
163.04021	9.0
164.04364	0.5
184.02768	0.9
187.04044	3.4
205.05080	1.2
206.01389	0.5
235.06215	0.6
254.58173	0.3
265.07074	2.0
293.15198	0.3
325.09250	4.4
325.12555	0.4
334.96857	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01962	1.1
55.01884	2.3
57.03449	6.0
58.00589	3.6
59.01385	100.0
69.40400	3.7
69.40820	6.0
71.01388	59.0
71.01789	2.5
72.99321	6.6
75.41654	1.1
79.68731	1.2
83.01395	3.1
85.02959	55.0
87.00888	3.6
89.02453	55.8
95.01402	3.0
98.19894	2.6
101.02457	33.6
108.59825	1.1
113.02461	20.5
119.03516	30.1
125.02452	1.1
131.03499	1.9
143.03552	2.9
143.07091	1.1
147.03014	22.8
149.04555	1.6
149.34413	1.2
159.84349	1.1
160.01685	4.0
161.04573	2.4
175.04028	5.4
179.05643	4.2
323.13495	97.5
324.13901	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	323.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01962	1.1
55.01884	2.3
57.03449	6.0
58.00589	3.6
59.01385	100.0
69.40400	3.7
69.40820	6.0
71.01388	59.0
71.01789	2.5
72.99321	6.6
75.41654	1.1
79.68731	1.2
83.01395	3.1
85.02959	55.0
87.00888	3.6
89.02453	55.8
95.01402	3.0
98.19894	2.6
101.02457	33.6
108.59825	1.1
113.02461	20.5
119.03516	30.1
125.02452	1.1
131.03499	1.9
143.03552	2.9
143.07091	1.1
147.03014	22.8
149.04555	1.6
149.34413	1.2
159.84349	1.1
160.01685	4.0
161.04573	2.4
175.04028	5.4
179.05643	4.2
323.13495	97.5
324.13901	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	323.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.3
57.55467	0.9
59.01385	32.5
59.78891	1.1
71.45576	2.0
82.20950	0.9
83.05050	4.4
89.02534	1.3
89.43730	0.9
91.01395	1.0
91.01923	3.4
95.05053	2.9
96.95983	1.4
97.06604	11.1
99.00659	10.4
101.48108	1.0
109.06630	1.5
111.08173	11.0
113.02226	9.0
119.05041	10.6
121.02988	1.3
132.05829	4.2
135.00858	5.2
147.11781	1.3
153.01917	3.5
159.08328	1.0
163.11261	3.5
164.04794	1.2
165.12865	100.0
166.13171	5.0
187.11317	10.8
197.15497	58.2
198.15822	3.0
209.11853	7.6
215.53477	1.1
221.08357	1.4
241.14499	25.8
242.14986	1.5
247.13220	6.2
305.17642	1.3
323.00021	1.8
323.09052	1.9
323.12964	7.3
323.14819	4.8
324.14148	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.2
58.00595	3.4
59.01388	100.0
71.01391	63.9
71.53967	3.6
72.99323	5.2
73.02966	6.2
78.95925	9.8
81.32474	1.6
83.01430	3.4
85.02959	37.2
86.08315	1.8
86.15967	1.8
87.00893	2.9
89.02460	53.0
95.01410	6.8
96.96026	54.7
96.96943	11.4
99.00895	4.0
101.02459	41.7
110.95985	2.1
113.02467	24.0
114.01984	17.9
119.03524	26.2
119.05055	8.1
123.04542	5.7
124.00401	2.1
133.03035	4.3
135.04533	1.7
137.02518	2.2
143.03540	3.2
147.02983	8.8
159.03012	2.0
160.01630	4.0
161.04550	11.3
174.04103	6.2
175.04024	3.6
179.05652	4.7
187.11369	5.4
192.84303	1.9
203.08389	2.2
244.78474	1.8
323.08865	9.0
323.13483	74.3
323.17145	8.2
324.13754	3.2
338.40527	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	323.135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00604	0.7
59.01387	100.0
60.01719	0.8
68.23257	0.6
71.00811	1.2
71.01388	17.0
72.99331	1.6
85.02953	3.3
87.00898	1.5
89.02455	21.7
95.01401	1.4
99.84032	0.6
101.02445	10.9
104.39812	0.6
113.02456	7.7
119.03526	10.6
125.06110	0.7
143.03491	1.6
143.07149	3.7
149.04590	1.2
161.04666	1.8
179.05617	4.6
235.57776	0.7
244.28694	0.7
323.13504	44.0
324.13831	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	323.129
Annotation	dorsmanin A
Peak:m/z	Relative Intensity
59.01386	0.5
62.91015	0.2
70.41634	0.1
70.77098	0.5
71.05011	0.2
83.01377	0.2
91.01907	0.4
93.03449	0.8
95.05052	0.3
97.06593	0.2
106.72511	0.2
107.05052	0.5
109.97720	0.2
117.03503	0.2
119.05040	100.0
120.05378	4.4
121.02993	0.2
125.09745	0.2
135.00916	0.2
135.08156	0.2
143.05038	0.6
144.05823	0.6
145.02965	0.5
148.01694	0.2
157.06601	2.6
158.06979	0.3
159.08167	5.7
160.08426	0.3
175.07700	0.5
185.06126	0.3
187.04048	0.2
187.11324	0.5
201.05559	0.4
203.07156	24.0
204.07513	1.4
209.11859	0.9
217.08717	0.3
221.08202	12.7
222.08571	0.9
237.15016	0.4
305.17480	0.3
323.12903	37.0
324.13254	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1291
Annotation	dorsmanin A
Peak:m/z	Relative Intensity
59.01379	3.1
61.80804	0.4
65.71050	0.4
66.81828	0.4
69.48251	2.5
71.01389	0.8
93.03471	1.3
93.93626	0.4
98.20673	0.8
103.22351	0.4
105.03432	0.4
109.02972	0.5
117.03490	1.5
119.05040	100.0
120.05383	4.5
121.02966	3.6
135.00908	0.9
137.02477	0.7
143.73880	0.5
145.02972	4.0
147.04463	0.5
147.61891	0.5
149.02457	1.0
188.12674	0.4
191.38110	0.4
193.06618	0.5
194.07378	0.6
195.08138	0.7
196.05334	0.5
208.05345	2.2
211.07628	1.7
221.06163	0.7
221.08145	0.7
222.06944	0.7
223.07613	0.9
224.04703	0.8
225.05562	4.9
226.06013	0.5
238.06467	0.5
239.07178	2.3
267.06650	55.5
268.07013	5.6
323.12903	86.5
324.13251	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1289
Annotation	licoagrochalcone A
Peak:m/z	Relative Intensity
69.88508	1.1
69.88927	2.5
75.57945	0.5
91.01904	31.7
92.02222	0.7
119.05028	3.4
120.05359	1.0
132.05826	42.4
133.06097	2.6
135.00900	65.4
136.01262	2.7
153.01947	19.4
154.02377	0.8
164.04807	15.8
165.05167	0.6
187.11299	100.0
188.11652	8.2
203.07199	0.9
317.97363	0.6
323.12912	80.0
324.13284	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	323.129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	2.2
65.00346	0.8
65.79643	0.3
67.61362	0.4
69.67758	2.0
79.43196	0.3
80.60379	0.4
83.01414	0.3
91.01909	1.4
93.03481	0.6
97.72767	0.3
98.19962	0.4
109.06612	2.8
111.07992	0.3
113.02485	0.7
115.39980	0.3
119.05042	100.0
120.05366	4.2
121.02982	0.8
131.08688	1.7
132.05843	1.0
133.06706	0.4
135.00900	1.2
145.02943	0.5
146.39330	0.4
148.01675	0.8
153.01927	0.6
159.04555	0.5
159.08185	7.1
160.08447	0.4
175.07672	2.9
187.11324	2.0
188.04822	0.7
201.05576	0.7
203.07159	20.9
204.07491	1.3
219.69250	0.4
221.08209	21.1
222.08623	0.9
323.12906	39.5
324.13242	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35110	0.4
58.06231	0.4
59.01385	0.8
59.82056	0.4
65.81255	0.4
69.93910	0.5
69.94211	2.3
78.92568	0.4
91.01933	0.7
93.03432	0.5
103.28230	0.4
111.21273	0.4
119.05041	100.0
120.05360	4.3
129.27136	0.5
132.05827	1.0
135.00885	1.2
148.01697	0.5
157.06635	2.7
157.89656	0.5
159.08179	5.3
175.07596	0.6
187.11298	1.8
203.07170	24.4
204.07420	1.4
221.08188	11.9
323.12915	42.3
324.13284	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	323.129
Annotation	(-)-phaseolin
Peak:m/z	Relative Intensity
50.39874	0.7
54.54411	0.7
57.01476	0.7
59.01369	1.2
62.52809	0.7
65.00387	0.9
65.71857	0.7
69.46998	5.3
71.32325	0.7
90.17798	0.8
91.01905	33.5
102.48064	0.7
114.39062	0.9
119.05042	26.0
120.05372	0.9
132.05824	41.5
133.06169	2.4
135.00900	63.0
136.01239	2.4
149.02432	1.1
153.01953	19.9
159.08136	1.7
162.26483	0.8
164.04820	16.7
165.05104	1.1
180.03061	0.7
187.11305	100.0
188.11638	7.4
190.21568	0.8
203.07112	5.7
221.08208	2.6
316.56042	0.8
323.12921	76.0
324.13263	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	323.129
Annotation	dorsmanin A
Peak:m/z	Relative Intensity
63.77401	0.1
65.03983	0.2
69.52386	0.7
70.79601	0.1
79.05544	0.2
91.01900	0.3
91.05550	0.2
93.03481	0.8
107.05037	0.5
117.03483	0.2
119.05038	100.0
120.05365	3.4
122.03680	0.1
136.01692	0.3
143.05043	0.9
144.05865	0.7
145.02959	0.7
157.06589	2.9
158.07059	0.1
159.08165	5.2
160.08560	0.2
162.34845	0.1
175.07619	0.4
185.06140	0.2
187.04012	0.3
188.04745	0.2
201.05580	0.5
203.07150	28.3
204.07487	1.3
217.08670	0.4
221.08199	9.2
222.08578	0.5
236.18170	0.1
267.06711	0.1
281.11935	0.2
295.12637	0.1
323.12894	52.3
324.13217	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	323.1292
Annotation	dorsmanin A
Peak:m/z	Relative Intensity
55.69352	0.7
59.58878	0.7
69.52766	5.4
74.39556	0.7
85.76836	0.7
86.24111	0.7
91.01908	30.8
91.30709	0.8
92.02245	1.3
97.24602	0.7
109.80676	0.7
119.05043	84.4
120.05377	3.6
132.05833	41.9
133.06163	1.7
135.00906	62.0
136.01247	2.3
153.01962	15.7
157.06616	3.0
159.08183	6.7
164.04820	14.7
187.11307	95.2
188.11627	6.5
203.07172	23.7
204.07457	1.6
221.08220	8.8
222.08589	1.0
262.77005	0.7
265.29605	0.8
323.12924	100.0
324.13239	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	323.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70599	0.4
65.00325	0.7
70.08707	1.5
90.20491	0.4
91.01931	1.3
93.03456	1.2
109.06633	3.7
119.05046	100.0
120.05372	4.7
121.03014	0.6
122.03762	0.5
131.08664	2.0
132.05774	0.7
133.06595	0.7
135.00943	0.6
145.03014	1.1
148.01711	0.8
149.02489	0.8
159.04539	0.6
159.08186	8.0
162.03267	2.1
175.07684	2.6
187.11302	1.2
194.02214	1.6
203.07169	28.0
204.07533	2.1
217.08740	1.6
220.18700	0.5
221.08217	13.7
222.08525	0.7
232.57216	0.5
261.01660	0.5
281.11746	0.9
291.72644	0.6
323.12933	65.0
324.13306	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	323.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53642	0.2
54.54137	0.2
59.01381	0.4
65.00325	0.7
70.76042	0.6
82.77716	0.2
89.21786	0.2
91.01904	34.9
92.02226	1.3
92.23627	0.2
98.19949	0.2
107.01380	0.3
109.02950	0.2
119.05034	0.7
121.02991	0.3
132.05824	44.9
133.06169	2.1
135.00899	59.2
136.01218	2.5
149.02437	2.7
153.01950	20.7
154.02272	0.7
164.04807	18.3
165.05162	1.0
172.08980	0.4
174.25052	0.3
187.11298	100.0
188.11632	6.9
209.56696	0.2
213.09323	0.3
279.28204	0.3
281.12021	0.2
303.97891	0.2
323.12903	64.0
324.13235	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	323.129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30858	0.3
55.37206	0.3
64.32592	0.3
65.00337	0.9
84.25400	0.4
91.01906	39.7
92.02247	1.0
98.19872	0.7
132.05827	59.4
133.06126	1.7
135.00899	74.1
136.01242	2.1
149.02432	0.9
153.01962	21.0
154.02313	0.8
164.04811	22.4
165.05107	0.6
172.08980	0.4
177.91045	0.3
187.11298	100.0
188.11621	4.7
213.09106	0.5
323.12900	98.5
324.13217	11.1
330.81491	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0927
Annotation	Moracin K
Peak:m/z	Relative Intensity
52.50010	0.5
57.03452	0.6
58.33481	0.5
59.01385	3.6
65.00332	0.8
65.03972	3.1
67.01917	1.8
69.55305	0.5
71.01421	0.6
71.54971	0.7
75.00907	0.5
83.01384	0.7
84.04559	0.8
85.02978	0.5
91.01912	2.0
91.05522	1.1
93.03467	1.3
95.05067	0.8
96.95998	0.5
105.03488	0.6
107.05054	5.5
109.02965	3.3
109.04106	1.0
109.20757	0.6
115.05537	0.8
117.03474	14.3
118.03809	0.9
119.05044	98.0
120.05369	5.2
121.02969	1.1
125.03629	1.0
125.09758	0.8
127.05154	5.8
128.03569	1.9
130.08751	2.5
131.05040	1.5
131.09070	1.4
132.05821	2.1
133.02951	1.3
133.06593	2.0
135.00911	3.2
135.04567	1.1
135.08212	0.6
143.05054	0.8
145.02991	2.6
145.05052	1.1
145.06212	21.1
153.01965	1.9
158.03764	0.7
159.04530	16.9
161.02452	9.4
161.06000	0.6
162.02863	0.7
164.04825	1.5
169.06564	0.8
171.04561	0.9
171.10237	0.6
174.03235	0.7
177.05595	1.1
185.11906	0.6
187.07634	0.9
187.11319	5.4
189.05566	0.8
195.08255	0.7
203.03525	47.3
204.03821	3.1
207.05437	0.6
209.11684	0.6
217.05052	1.6
221.04553	1.6
235.07651	0.8
236.15656	2.4
237.09262	0.8
239.07002	1.0
279.10333	1.1
281.08255	6.3
299.25168	0.5
305.17630	1.1
323.09277	100.0
323.18848	4.1
324.05771	0.7
324.09644	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	323.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18681	0.8
51.49079	0.7
55.01877	1.5
57.03456	9.6
59.01383	4.8
63.60978	0.8
69.74251	4.9
71.01393	3.3
72.99324	1.9
75.36481	0.8
80.46292	0.8
83.01408	0.8
84.02171	1.4
85.02963	71.5
86.03307	1.2
96.96013	5.2
99.09815	0.9
101.02453	8.4
103.00381	1.1
103.04021	5.9
106.99868	0.8
125.25146	0.8
128.03505	0.9
129.01962	58.4
130.02303	1.3
132.05858	0.8
134.03767	16.0
136.84641	0.8
147.03018	100.0
148.03351	2.8
149.06108	1.3
160.01686	6.4
166.36653	0.7
175.04039	8.3
176.04469	1.0
193.05084	8.0
207.10231	1.6
264.30612	0.9
295.06143	1.4
323.07883	1.9
323.11230	1.5
336.30350	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76933	1.4
54.27081	1.4
57.03431	1.8
59.01379	10.1
69.31554	3.4
69.31955	11.5
71.01395	1.7
83.01421	2.0
83.96461	1.5
85.02962	46.9
89.03946	2.0
101.02460	28.3
105.90084	1.6
107.85520	1.4
117.03461	4.6
127.02085	1.5
127.05485	1.5
129.01958	100.0
130.02306	3.1
134.03757	64.8
135.04141	2.7
147.03011	11.6
149.06059	5.7
156.61018	1.5
160.01637	1.6
161.02539	2.4
178.02762	3.4
189.06670	1.9
193.05063	65.1
193.06825	3.2
194.05453	2.3
206.17879	1.6
257.92618	1.7
295.06027	3.8
323.05453	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	323.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91403	1.7
57.03442	2.1
59.01382	20.5
60.72122	1.9
68.96125	2.1
69.03453	6.7
71.01384	15.8
71.54556	3.2
72.99319	2.5
73.02949	3.0
83.01390	8.0
85.02946	13.8
87.00900	3.8
89.02448	4.9
93.03474	30.3
97.02985	2.4
99.00890	40.3
101.02447	3.4
105.03501	2.7
106.51955	2.0
108.02171	4.7
111.00895	3.1
113.02455	2.4
117.03471	19.3
119.05038	32.2
123.04533	4.3
130.04265	9.8
131.05046	15.3
132.05865	10.4
133.02963	16.1
133.06618	13.4
134.03746	3.9
135.04564	4.3
137.02541	2.7
143.05054	15.4
145.02953	17.4
145.06604	21.5
147.04543	100.0
148.04918	4.1
149.06087	17.2
156.05855	3.2
157.06650	11.8
158.03716	4.2
159.03134	2.1
159.04514	8.5
160.05318	14.0
161.06067	15.3
163.04002	6.1
163.07663	8.8
165.05608	3.3
169.06613	21.3
171.04587	5.6
172.05214	2.7
173.06070	23.2
174.06577	2.2
175.04016	24.0
175.07649	11.1
177.01883	2.6
177.05580	18.6
185.04630	2.7
187.04004	2.5
187.07669	61.0
188.07973	4.9
189.05582	52.1
191.07155	22.2
193.05090	5.8
199.07652	2.3
201.05579	28.7
202.05978	2.8
203.03462	14.6
205.05074	31.8
217.05006	3.7
219.06650	34.7
221.04572	30.2
222.04861	2.6
223.06070	3.0
231.06674	6.4
235.06139	7.7
261.07806	5.4
263.05591	45.1
264.05939	2.7
279.08749	5.6
323.07874	25.8
323.11447	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	321.1135
Annotation	Kanzonol B
Peak:m/z	Relative Intensity
58.03002	0.5
59.01391	5.6
66.41010	0.6
68.94030	0.6
70.40242	0.7
70.40606	2.1
79.05538	0.5
81.03457	0.7
82.08310	0.5
93.03449	1.0
95.05032	1.8
103.05575	0.5
107.05027	1.2
109.06614	0.8
111.04536	0.9
117.03478	1.3
119.05045	100.0
120.05383	3.4
125.09743	1.2
128.10829	2.4
129.07109	1.2
130.08759	32.1
145.03023	0.8
151.07671	2.9
156.05870	0.7
157.06613	15.6
172.09793	1.4
177.01926	0.7
189.42200	0.6
201.05612	11.6
202.05940	0.9
215.07120	1.8
219.06665	2.0
235.15337	0.6
261.09308	1.0
265.14432	1.3
266.92734	1.6
279.10440	0.9
321.11337	58.7
321.17352	1.5
321.20715	1.5
322.11761	6.6
322.20279	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	321.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.5
61.46395	0.3
71.01693	0.3
74.26713	0.3
86.54195	0.3
93.03463	0.5
93.65217	0.3
119.05040	100.0
120.05376	4.0
157.06601	5.7
158.06996	0.7
175.07623	0.6
201.05592	9.4
202.05833	0.5
219.06647	0.8
263.16495	0.4
321.11343	33.8
322.11658	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	321.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.2
58.00578	2.0
59.01385	100.0
60.26023	1.2
63.82504	1.3
69.83000	1.2
70.82770	1.3
71.01389	47.5
72.99303	4.0
73.02950	2.7
83.01390	3.5
85.02960	12.6
89.02451	49.3
95.01398	3.6
95.55753	1.2
99.00896	1.6
101.01811	1.8
101.02458	35.4
101.48074	1.2
102.33900	1.3
108.04553	1.6
113.02457	21.9
113.09738	2.6
119.03516	24.1
131.03490	2.4
141.09230	17.1
143.03479	2.1
152.03455	1.3
155.33784	1.2
159.10213	6.2
170.19823	1.4
205.41443	1.2
321.15561	97.1
322.15912	8.8
338.90347	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25179	0.7
54.25192	0.8
59.01389	100.0
69.75544	3.9
71.01378	2.9
73.02938	0.9
85.02954	2.0
89.02399	0.8
98.20594	1.2
101.02454	2.0
102.80909	0.7
113.02449	1.5
120.14768	0.8
150.04688	0.9
161.04538	1.1
167.86765	0.8
199.69093	0.8
207.40218	0.8
261.13467	1.8
321.13440	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
58.00603	1.9
58.27594	0.8
59.01389	56.9
60.49436	0.8
61.30331	0.8
67.32787	0.8
68.81846	0.8
69.05471	0.9
71.01389	19.6
71.54977	1.2
72.99323	2.0
73.02967	2.0
77.69734	0.8
83.01392	2.2
83.05021	0.9
85.02964	5.1
87.00877	1.5
89.02457	17.8
95.01395	1.5
97.76828	0.9
101.02451	16.3
113.02464	7.0
113.09745	24.0
119.03528	6.5
125.53149	1.0
129.56248	1.0
139.07693	1.5
141.09256	6.6
155.10774	1.8
159.10289	64.8
160.10616	2.2
188.26999	0.9
201.11354	2.6
306.05405	1.6
321.15579	100.0
322.15912	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	322.2027
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
50.08940	0.2
58.02982	1.8
59.01377	0.8
63.82066	0.3
64.59298	0.3
70.58536	0.4
70.58891	0.8
81.03486	0.7
95.05052	0.6
97.06600	0.4
109.06606	0.7
119.05051	0.9
128.10838	6.9
130.08755	100.0
131.09123	3.2
132.05801	0.7
135.00937	1.3
145.06656	0.3
153.01924	0.8
164.04836	0.3
165.12878	1.0
167.27585	0.3
172.09798	0.3
187.07693	2.2
187.11313	1.5
189.84361	0.3
206.11229	0.3
235.15340	0.6
246.81744	0.3
309.68774	0.3
322.20264	29.9
323.09171	0.9
323.12860	1.3
323.20609	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	321.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27380	0.3
59.01373	1.7
69.46009	1.9
69.90305	0.3
90.79858	0.3
91.01905	3.0
98.19913	0.5
103.62994	0.4
103.89826	0.3
130.04259	1.2
133.02942	0.6
135.00908	4.2
153.01945	1.0
162.03285	0.3
180.05746	0.5
181.06573	0.5
185.09747	2.5
193.06587	0.6
195.04465	0.5
199.07651	0.3
208.05272	1.5
209.06038	1.5
221.06104	0.6
223.04024	4.3
224.04562	0.7
225.90326	0.4
236.04747	0.5
237.05545	3.0
249.05554	1.3
252.04369	2.5
265.05069	35.5
266.05673	6.5
277.05072	12.3
278.05685	3.9
291.06750	0.4
298.04855	3.1
303.06744	0.4
305.08099	0.6
319.09631	0.8
321.11334	100.0
322.11679	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	321.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09263	0.4
59.01389	3.5
67.12923	0.4
69.96348	1.3
71.01395	0.5
93.03474	1.2
98.20714	0.4
105.07139	0.6
114.35959	0.3
117.03506	0.7
119.05046	100.0
120.05371	4.4
123.34214	0.4
128.10822	0.4
129.07127	1.0
130.08751	12.7
145.02893	0.9
157.06607	9.2
158.06963	0.9
175.07655	0.6
198.51031	0.4
201.05598	10.4
202.05965	0.5
208.41803	0.3
219.06583	1.0
235.15251	1.7
266.92715	0.7
269.51294	0.3
277.12177	0.4
315.45895	0.5
321.11328	21.4
322.11761	2.6
322.20297	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	321.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09221	0.2
59.01377	0.7
69.82278	1.1
75.38854	0.2
76.61122	0.2
80.83311	0.2
92.77284	0.2
93.03430	0.5
119.05043	100.0
120.05379	4.5
274.77991	0.2
277.12402	0.5
303.26431	0.2
321.11349	18.6
322.11667	2.4
331.35678	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.083
Annotation	2-O-L-ramnopyranosyl-4-Deoxy-alpha-L-threo-hex-4-enopyranosiduronoic acid
Peak:m/z	Relative Intensity
55.01875	1.7
57.03450	3.0
59.01377	6.0
69.03464	5.7
69.23028	13.3
71.01390	16.7
73.02956	14.9
78.95916	1.9
83.01419	3.4
83.50630	1.2
85.02960	29.7
87.00882	100.0
88.04047	3.6
89.23409	1.5
95.01396	4.5
97.02957	22.3
103.04024	10.6
113.02446	7.8
115.00371	13.5
115.03985	1.8
129.01950	7.7
132.02992	2.0
142.99869	2.3
144.04543	2.7
157.01411	7.8
164.89609	2.1
174.04080	1.9
175.02495	41.1
187.05214	2.4
217.03516	16.9
218.04062	1.4
259.06970	1.4
303.07031	4.4
321.07687	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	321.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61065	1.1
54.03857	1.2
59.01383	8.9
68.39268	1.1
69.62928	7.0
71.01390	4.6
80.05084	3.5
81.03471	2.0
82.02995	3.4
82.06630	6.8
84.04552	16.5
85.02979	2.6
85.04079	5.5
86.02492	4.3
87.05621	2.0
92.05073	33.1
94.02982	5.2
95.03779	3.9
95.05042	4.5
95.72979	1.1
96.00929	1.7
96.04569	7.7
97.01709	10.6
98.20627	2.4
101.02476	3.0
102.05636	10.4
107.03788	4.0
108.04549	2.6
109.05354	1.2
110.02511	1.7
110.06130	70.2
111.06470	1.5
112.04045	4.1
113.09151	1.3
121.05377	1.7
122.06134	80.0
123.03271	4.1
123.06499	2.5
124.04054	9.7
127.05219	1.3
128.03557	23.6
129.03908	4.5
133.05075	2.1
134.03755	16.0
136.04059	55.9
137.04472	1.5
146.04614	27.4
149.06114	6.6
152.45937	1.1
157.06204	5.0
158.06520	2.8
160.01682	3.2
175.04059	5.8
181.03806	13.5
191.03593	1.9
193.05121	3.9
203.11905	33.7
204.12247	2.2
215.11908	10.7
247.10895	55.5
248.11194	5.6
259.10913	57.2
260.11240	4.3
269.09839	1.2
277.12030	5.5
287.10645	3.2
303.09869	2.7
304.08325	3.1
321.10950	100.0
322.09161	4.8
322.11349	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0616
Annotation	Leukoefdin
Peak:m/z	Relative Intensity
57.03454	7.9
59.01376	21.8
65.50884	5.0
69.03442	5.4
69.69408	5.5
71.01390	10.5
71.04993	6.7
71.52613	7.0
81.03457	17.0
83.01375	11.7
83.05081	4.8
85.02943	11.2
91.48816	5.5
93.03464	18.4
95.01399	9.2
95.05028	17.4
97.02949	13.8
99.00842	12.0
99.04521	12.1
109.02962	69.9
111.00906	12.6
113.02430	5.6
121.02977	13.8
123.04489	9.5
124.01679	6.3
125.02467	100.0
133.02953	10.6
137.02475	60.3
139.00351	12.1
139.03992	18.5
141.01932	17.8
145.06670	7.2
147.04530	5.8
149.02542	12.3
150.03186	7.6
151.03987	7.4
153.01939	22.7
155.03403	5.9
156.78773	5.8
165.01985	34.1
167.02203	7.7
167.03511	68.4
174.31358	6.0
175.04001	10.3
177.01929	55.1
181.05022	7.6
191.03493	7.1
193.05086	5.3
195.02954	8.2
207.06699	7.2
217.05083	12.2
231.06581	9.7
233.04422	7.1
239.05547	11.8
241.05028	12.7
259.06146	31.6
275.05551	15.8
277.07086	8.2
285.04126	13.8
303.04953	16.5
321.06274	42.5
321.11890	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	321.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07125	1.4
55.33777	1.5
58.02980	25.1
59.01381	25.7
69.95684	1.3
70.02991	4.9
71.00862	2.6
71.01391	28.8
71.75694	1.3
85.02963	2.8
87.00890	1.6
88.04053	100.0
89.02470	2.5
92.05085	1.6
92.41540	1.5
96.99317	2.3
101.02428	2.4
112.04064	4.6
113.02466	2.0
114.01987	24.6
115.00389	43.2
118.02987	4.3
121.44975	1.4
125.02422	1.5
129.94373	1.4
130.05122	22.5
132.03044	43.9
134.06146	2.0
141.05583	2.6
144.04568	35.5
145.04912	1.7
146.02499	19.2
146.06117	3.4
147.04538	4.2
156.03049	5.3
160.04015	3.8
161.04526	1.7
162.05658	1.7
164.07222	3.7
166.30368	1.6
169.04005	2.3
174.04088	51.3
175.04456	1.8
187.05141	36.3
187.06807	1.9
188.03502	1.6
188.05333	2.3
195.56818	1.4
205.06165	4.8
206.04549	4.1
215.08270	3.9
241.06064	3.4
259.07300	23.2
260.07693	2.0
303.06195	15.2
315.97812	1.8
321.07343	39.4
321.11502	2.7
322.06754	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	321.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	4.5
59.01390	13.6
71.01396	19.3
71.52845	3.8
73.02955	9.0
78.95924	12.3
83.01412	5.4
85.02962	43.2
87.00891	37.5
88.04066	5.4
91.40199	2.9
97.02960	9.6
99.00898	12.8
101.02438	16.7
103.04036	4.4
111.00908	13.8
112.98817	34.6
113.02451	4.5
115.00397	11.2
128.03539	3.0
129.01962	100.0
129.03908	3.8
130.02261	6.5
142.05086	3.3
142.99901	29.9
160.04060	6.6
164.89603	7.0
173.00940	23.5
175.02495	17.6
187.05182	4.1
208.87183	3.3
217.03690	4.6
259.07300	3.7
321.07953	3.9
322.11325	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	321.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53953	5.9
58.02969	15.9
59.01364	16.0
71.01407	37.1
71.53075	7.4
73.02940	7.7
77.52480	6.1
78.95899	10.8
85.02950	53.3
87.00884	74.6
88.04054	56.5
97.02950	12.3
99.00880	7.4
101.02461	16.2
103.41959	6.1
110.98552	9.8
111.00900	8.4
112.98798	27.8
114.01964	11.6
115.00381	38.2
124.73688	7.3
129.01959	100.0
130.05106	9.8
132.03041	23.1
142.99860	39.4
144.04561	27.9
146.02594	6.0
146.06163	7.0
149.04613	7.6
162.05487	6.0
165.01781	6.0
173.00922	22.3
174.04082	41.1
175.02472	25.6
187.05128	25.2
206.09993	7.5
217.03535	13.7
259.07251	15.6
303.06537	6.9
321.06967	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1766
Annotation	bhos#10
Peak:m/z	Relative Intensity
56.69398	1.0
57.03447	3.2
59.01382	4.6
59.54734	1.0
71.05036	1.5
75.61990	1.1
83.01499	1.0
83.05051	1.8
89.02463	1.0
91.04016	3.5
97.06625	2.1
98.20721	1.7
111.08172	5.5
113.49262	0.9
114.30761	0.9
115.07654	1.1
121.25961	1.0
121.66564	0.9
122.06122	1.0
125.09744	2.4
155.14493	1.1
157.49030	1.1
163.01929	1.0
165.12863	31.2
181.12363	1.2
183.13927	30.9
199.13359	1.2
199.77383	1.0
201.14999	14.1
209.11845	25.1
210.12114	1.8
227.12918	100.0
228.13255	6.3
245.13951	72.6
245.16586	2.0
246.14320	4.2
319.17648	79.1
319.21042	3.7
320.17947	6.0
331.27267	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0925
Annotation	gamma-L-Glutamyl-L-cysteinyl-beta-alanine
Peak:m/z	Relative Intensity
58.02975	0.7
59.01387	0.7
66.03494	0.9
68.61874	0.3
70.02993	0.4
71.01390	7.9
72.04548	0.4
73.04079	2.2
74.02500	0.8
81.04595	0.4
82.02990	6.3
84.04577	1.3
85.04086	49.7
86.02493	2.3
86.04419	0.9
87.05651	13.1
88.04052	7.6
97.04114	1.1
98.02513	0.4
101.07228	0.7
102.00214	6.9
107.06157	0.6
109.04094	3.4
111.02038	1.2
112.02818	0.8
113.03587	2.0
119.02857	5.5
121.04073	0.9
123.05652	0.8
124.04096	0.4
125.02408	0.4
125.03586	0.6
125.06095	0.3
126.02785	0.5
127.05143	14.6
128.03557	100.0
128.98599	0.4
129.03917	2.9
135.05672	6.1
136.05991	0.4
138.02675	0.3
139.05165	1.1
141.06685	0.4
145.06212	5.4
146.04567	0.3
150.06726	0.7
151.00449	0.3
151.05157	0.5
152.08311	8.6
153.06715	4.4
157.06201	57.8
158.06621	1.9
159.07753	4.0
166.06236	6.9
167.04626	0.8
170.09358	0.9
174.02318	19.3
175.00444	0.4
175.02631	0.8
176.00708	0.4
178.06209	3.0
179.04665	8.4
179.06187	0.4
180.04893	0.4
184.04909	2.4
184.07301	5.2
185.05675	1.4
191.04985	6.2
193.01460	0.9
194.01794	1.5
196.07298	15.4
197.05692	2.9
197.07431	0.6
211.01190	0.4
212.05032	1.0
213.03450	0.4
214.08331	2.8
224.10449	2.7
230.06155	0.4
230.20517	0.4
231.04462	0.4
242.11537	2.0
248.07127	3.0
256.09430	1.0
268.09412	10.4
269.09702	0.7
286.10464	29.2
287.10779	2.0
302.08209	5.3
303.08234	0.5
320.09238	62.8
321.09586	4.8
321.15588	1.2
342.33194	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54084	0.6
51.27723	0.7
57.03458	1.5
58.00599	2.3
58.02987	0.7
59.01386	47.8
60.40398	0.6
66.03490	1.2
69.98391	0.6
71.01391	35.9
71.05025	0.8
72.99316	2.5
73.02932	1.3
73.04074	1.6
74.02518	0.6
75.00903	0.7
81.04594	1.1
82.02986	6.0
83.01402	2.6
84.04537	1.3
85.02988	7.9
85.04083	49.8
86.02501	1.9
87.00880	1.9
87.05642	12.5
88.04046	9.1
89.02458	26.5
89.78807	0.6
95.01412	1.9
97.02990	0.8
97.04117	1.1
99.00880	0.8
101.02454	20.3
101.07217	0.8
102.00211	7.3
109.04109	3.0
111.02021	1.0
113.02457	11.3
113.03597	1.9
119.02708	3.2
119.03556	11.8
121.04140	0.8
124.04032	0.8
125.02469	2.4
127.05154	13.6
128.03557	100.0
131.03500	0.7
135.04655	1.4
135.05664	6.5
137.02451	1.3
139.00342	0.7
139.04102	1.4
139.05127	1.3
139.07675	8.0
143.03589	1.0
145.06230	5.1
150.05661	1.0
150.06758	0.8
152.08315	8.9
153.06721	4.9
157.06207	63.1
157.08769	2.9
159.07750	3.8
165.01906	1.0
166.06230	8.9
170.09387	1.3
171.10225	1.1
174.02322	18.4
178.06235	3.5
179.03456	0.9
179.04646	9.2
183.03009	1.4
184.04874	2.1
184.07297	5.4
185.05788	1.2
191.04979	5.5
193.01498	0.7
196.07332	13.6
197.05727	2.9
212.04962	0.9
214.08325	2.3
224.10454	3.0
242.11464	3.3
248.07181	3.9
256.09351	0.7
268.09393	11.2
279.34933	0.6
286.10464	27.7
302.08020	5.5
319.08426	1.2
319.13992	43.5
320.09225	73.6
320.13965	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	319.0826
Annotation	CHEMBL465620
Peak:m/z	Relative Intensity
57.03458	7.9
59.01383	2.1
69.03449	2.1
71.54257	1.1
73.79196	0.8
81.03465	4.0
83.01417	5.2
85.04094	1.7
87.85851	0.9
93.03479	1.3
95.01398	2.7
95.05044	4.8
97.02967	12.2
98.57440	0.8
109.02958	4.3
117.22274	0.9
121.02962	3.6
123.04515	1.8
124.01688	22.8
125.02468	41.5
126.02761	2.0
127.07700	1.6
128.03528	1.7
133.02948	1.4
135.04547	1.8
136.01587	0.9
137.02464	32.6
137.03540	1.7
138.03258	29.0
139.04033	17.4
140.04376	1.1
145.02998	0.9
149.02513	1.8
151.04004	4.4
153.05589	2.2
157.06192	1.4
157.08696	3.0
159.04570	1.4
161.02432	7.2
162.03229	1.0
164.01167	13.2
165.01949	13.1
166.02739	13.4
167.03416	3.5
170.02238	2.3
173.06062	1.2
175.04012	8.1
176.04692	2.8
177.01933	4.6
178.02832	1.6
179.03503	15.5
180.03917	1.1
181.05092	6.3
189.05559	3.2
190.06354	1.3
191.03499	2.4
192.04314	1.0
193.05043	1.3
197.04631	2.0
199.04062	1.0
201.05577	1.1
203.03526	6.8
212.61244	0.9
215.07137	1.4
217.05040	11.3
218.05832	14.4
219.06241	1.1
220.03754	6.0
231.06680	1.6
233.08130	5.8
235.06137	7.0
236.06880	10.7
241.05098	1.8
242.05823	1.8
243.06674	2.7
245.04514	1.7
251.09323	2.3
259.05927	1.1
260.06924	21.9
261.04269	1.0
261.07123	2.2
275.09293	12.8
277.07291	1.0
301.07004	0.9
319.08255	100.0
320.08539	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	319.0803
Annotation	Flustramine E
Peak:m/z	Relative Intensity
61.50269	10.9
71.01394	13.4
87.38158	10.7
91.63935	12.4
228.98386	15.5
235.38847	12.5
283.10437	33.7
319.08075	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.176
Annotation	9beta-Isobutyryloxy costunolide
Peak:m/z	Relative Intensity
59.01378	0.7
60.03083	0.4
61.70637	0.4
67.01895	5.9
67.44598	0.4
69.19194	3.7
90.12769	0.4
93.03461	0.8
95.01398	100.0
96.01727	2.0
102.77749	0.4
107.05037	0.4
117.02663	0.4
135.04489	2.2
150.12105	0.4
159.40918	0.4
177.02003	0.5
195.24721	0.4
200.34827	0.4
273.18649	6.1
274.19031	0.8
282.25296	0.5
316.99271	0.5
317.17606	40.5
318.17984	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	318.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	5.4
59.01390	100.0
61.59666	4.6
69.20877	35.3
71.01398	79.0
72.99311	5.7
80.05052	7.0
82.02988	4.9
83.01405	4.7
85.02962	19.8
88.04031	5.7
88.47999	4.2
89.02456	56.2
95.01369	8.1
98.20641	10.5
100.43398	3.9
101.02467	47.1
105.07846	5.1
112.04049	7.6
112.07713	50.7
113.02460	24.8
119.03507	22.0
124.04058	18.9
125.07214	12.6
131.03577	4.7
138.05646	26.1
140.01224	21.6
140.34712	3.9
141.01529	11.5
142.05125	17.3
143.03494	5.1
149.91396	4.5
150.36728	4.0
155.03568	13.4
156.03838	20.7
156.06696	40.8
161.04553	6.2
197.09373	6.8
318.08362	6.5
318.11996	97.7
319.12408	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	319.0463
Annotation	Dihydromyricetin
Peak:m/z	Relative Intensity
52.21153	2.6
57.03434	3.4
59.01378	7.3
70.67863	7.9
71.01381	5.0
77.57549	2.4
81.03453	3.2
83.01381	9.7
85.02959	2.9
93.03469	7.2
95.01398	7.4
95.17509	2.5
97.02950	6.7
99.00895	16.2
103.96622	2.6
104.20654	2.9
109.02966	10.9
111.00909	13.2
113.02445	5.2
115.05543	8.0
119.05045	5.3
121.02962	9.9
123.00917	17.4
125.02463	67.7
127.00381	7.7
131.05048	4.4
131.35448	2.7
137.02464	20.9
138.03258	3.4
139.00375	7.2
139.03996	5.9
140.01198	4.0
141.01949	54.9
143.05025	6.1
145.02962	7.8
146.03764	2.5
147.04535	5.6
149.02478	11.1
151.00388	11.8
151.04044	3.7
153.01958	44.8
155.02254	2.4
155.04970	3.5
157.06606	4.2
157.77290	2.7
159.04564	12.7
161.02452	8.8
161.06126	4.8
163.03993	5.4
165.01938	10.8
167.03482	7.7
167.04875	5.0
169.02977	3.2
169.06677	3.2
171.04500	8.1
173.02501	3.7
174.03119	4.6
175.03972	5.2
176.01094	3.9
177.01953	64.0
178.02328	3.9
180.00635	3.7
181.01472	8.7
182.02272	4.5
182.03680	3.7
183.04485	17.6
185.06113	4.0
187.04015	20.1
189.01945	9.2
189.05626	5.7
190.02768	12.8
191.03520	50.3
192.03790	2.8
193.01396	21.4
197.02402	6.0
199.04002	6.5
201.01930	5.4
201.05656	10.4
205.05138	7.5
211.03978	27.9
213.05539	5.6
214.02740	9.2
215.03516	59.7
216.03941	5.8
217.01416	52.2
217.04959	3.0
218.02129	3.3
219.03105	13.6
219.06651	3.2
227.03474	7.3
229.05087	16.0
231.02936	6.1
233.04585	45.8
234.04950	4.9
239.03535	8.6
243.03101	3.5
244.03702	3.1
247.06075	5.7
251.05385	3.1
255.03139	3.1
257.04617	29.5
258.05014	3.5
259.02396	3.3
273.04221	2.9
275.05630	11.3
283.02408	4.5
301.03546	100.0
302.03781	10.9
319.04599	55.1
320.05057	6.3
340.07632	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.7
57.03459	2.5
59.01389	17.7
68.88622	1.4
71.01392	3.9
71.05027	5.8
73.72399	1.5
78.97001	1.6
83.05051	1.6
84.02164	2.2
87.88180	1.4
89.02451	5.1
91.04024	9.6
97.02963	5.2
97.06608	3.9
99.00896	33.0
101.02415	2.5
109.06624	3.7
111.04604	1.4
113.02472	1.5
115.62256	1.4
123.08193	1.9
125.09743	12.2
126.10117	1.4
127.11285	1.8
135.08253	1.5
136.05341	1.5
153.12866	2.3
155.14394	2.1
163.11324	15.4
164.11543	2.1
181.12360	74.6
182.12669	4.6
197.11702	1.7
199.13429	34.4
200.13776	2.4
207.10281	50.2
208.10649	4.0
225.11349	100.0
226.11636	8.5
243.12399	96.8
244.12743	5.3
273.12347	1.4
317.16116	71.9
317.19608	5.6
318.16510	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	317.1608
Annotation	Tomelukast
Peak:m/z	Relative Intensity
55.13092	1.0
59.01388	12.0
61.94358	1.0
66.22765	1.1
71.01400	5.1
71.05021	1.7
71.55022	1.1
72.99310	1.3
73.02953	1.4
83.01389	1.4
85.02953	2.9
89.02472	1.6
91.04038	2.8
96.11566	0.9
97.02946	1.8
99.00894	18.8
101.02441	5.7
109.02942	1.0
113.02459	1.6
113.11959	0.9
125.09747	4.3
135.03011	1.8
137.02455	1.7
151.00397	2.1
153.12891	2.3
155.10817	3.4
155.14432	1.1
161.04630	1.2
163.11340	4.6
169.12366	1.8
178.99979	1.1
181.12366	26.9
197.11848	5.6
199.13431	99.0
200.13744	6.2
207.10281	13.7
208.10707	1.1
225.11368	37.2
226.11594	1.5
243.12392	43.8
244.12704	3.5
287.04626	1.4
302.07053	1.8
317.02975	2.5
317.16098	100.0
317.19473	5.7
318.16574	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	317.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.7
59.01382	6.8
67.97035	1.2
69.36483	4.4
69.36902	5.2
71.01385	2.8
71.05035	6.7
71.79343	1.2
85.02969	1.4
89.02486	1.2
89.79231	1.3
91.04042	1.8
97.02981	6.5
97.06609	5.6
99.00896	30.8
106.36738	1.3
109.02956	1.9
109.06598	2.5
110.03783	2.2
121.02959	1.4
123.04545	1.4
123.08225	1.7
125.09749	12.0
127.11350	1.7
137.02495	2.8
142.02744	1.8
153.12871	2.0
163.11302	16.0
165.01926	8.0
181.12360	54.3
182.12692	3.7
184.52992	1.3
197.11850	2.9
199.13416	38.4
200.13777	2.3
207.10280	53.2
207.12236	2.7
208.10672	4.9
225.11339	94.0
226.11678	6.8
243.12392	100.0
244.12747	6.7
287.49835	1.3
317.06812	6.9
317.16132	67.3
317.19760	9.3
318.16574	6.3
318.19681	1.7
323.77277	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
88.49445	0.9
108.02181	6.7
109.02944	3.3
121.02178	1.1
121.02970	11.8
122.03754	21.2
123.04498	3.5
127.36443	0.9
133.02972	1.9
135.04552	2.0
149.02472	10.0
150.03146	2.6
161.02510	5.5
163.07654	1.3
175.07637	2.0
177.12833	3.8
189.05560	1.3
240.94153	0.9
241.43390	1.0
245.15479	100.0
246.15868	8.9
256.49826	0.9
273.14996	19.1
274.15085	2.1
303.14764	1.4
314.31458	1.0
317.13971	7.6
318.14172	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.7
69.84915	2.1
71.01402	1.0
78.16779	0.5
83.01383	0.7
89.02466	0.5
101.02477	0.5
103.61642	0.4
109.03026	0.7
111.00905	2.0
113.24067	0.5
125.02523	0.6
137.99637	0.5
139.00375	6.2
140.01178	89.4
141.01480	3.0
153.01968	0.9
154.02812	1.3
155.03525	100.0
156.03880	4.3
167.03511	0.5
169.06161	0.6
171.04546	0.7
195.54242	0.4
227.03554	0.7
317.05844	0.6
317.08847	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	317.067
Annotation	Taxifolin 3-methyl ether
Peak:m/z	Relative Intensity
51.14725	0.3
53.69910	0.3
57.03453	15.2
57.51438	0.3
69.22392	2.9
76.90590	0.3
81.03463	2.4
83.01393	8.4
95.01382	0.4
120.02179	0.5
124.01705	2.2
125.02461	100.0
126.02774	2.8
127.35529	0.3
129.37280	0.3
137.02449	0.4
139.04089	0.3
140.40370	0.3
148.01671	2.8
149.02458	1.2
150.03186	0.3
151.00304	0.6
152.01186	0.5
164.01151	1.5
165.01974	0.9
166.50079	0.3
175.04105	0.4
176.01167	20.1
177.01929	7.2
178.02405	0.6
191.03520	27.1
192.04193	3.6
215.03494	0.5
216.04350	0.5
302.04239	1.1
317.06680	29.2
318.07062	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	317.0669
Annotation	3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone
Peak:m/z	Relative Intensity
51.09230	0.5
51.10575	0.5
57.03453	14.4
59.01385	1.5
63.02409	3.9
65.00330	6.8
69.08506	0.5
69.24694	2.8
69.25119	2.4
81.03475	1.1
83.01398	8.9
94.93870	0.5
95.00816	0.9
95.01392	7.8
96.02184	0.9
98.20750	0.9
99.00876	1.2
103.04984	0.5
107.01378	4.7
108.02233	0.9
109.02985	0.8
111.00900	3.2
122.03771	1.9
123.00887	3.5
124.01678	14.9
125.02464	100.0
125.26187	0.5
126.02778	3.4
135.00978	0.7
136.01671	0.8
137.02405	0.6
139.00401	1.6
139.40259	0.6
146.03737	1.9
148.01611	0.8
149.02469	3.5
150.03186	2.5
151.00380	13.6
152.01172	29.9
153.01987	3.3
159.04610	0.6
161.02425	0.5
161.06084	0.6
163.04025	1.1
165.05583	0.8
167.61316	0.6
167.87459	0.5
172.05270	0.8
178.99879	10.3
181.12442	0.6
185.06050	0.7
186.06801	1.0
187.04021	1.9
188.04781	2.5
189.05664	0.5
191.03531	0.7
192.04330	8.2
193.04698	0.8
199.13501	0.8
203.07030	0.6
207.06622	6.8
207.10246	1.0
208.48923	0.5
214.06415	1.8
215.03516	1.7
216.04185	3.3
217.04880	0.6
224.74763	0.6
225.11386	2.5
229.04991	0.9
229.08748	1.0
230.05966	3.5
231.06615	8.0
232.06987	0.8
233.04643	1.1
243.12354	2.1
245.08244	1.5
249.07771	1.2
257.04541	0.6
257.17603	0.9
258.05389	4.2
273.07697	12.0
274.04843	5.5
274.07806	1.1
284.03424	0.8
289.07211	70.4
290.07550	5.2
299.05646	2.3
317.06677	53.1
317.16138	1.7
317.19778	2.3
318.07034	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	315.2544
Annotation	CHEBI:79290
Peak:m/z	Relative Intensity
57.03449	1.4
59.01387	100.0
60.01716	0.9
65.63734	0.4
71.01398	0.4
71.54178	0.6
83.05054	1.2
85.06602	1.2
101.01920	0.5
119.72295	0.5
160.49300	0.5
169.15981	1.4
183.17548	3.3
225.22214	0.7
255.23308	11.7
256.23676	1.3
297.24417	1.3
300.02856	1.3
315.05170	0.8
315.25421	58.8
316.25769	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	317.0304
Annotation	3,5,8,3',4',5'-Hexahydroxyflavone
Peak:m/z	Relative Intensity
57.03452	4.6
59.01387	7.2
63.02404	7.9
65.00338	13.6
69.57723	2.4
69.58129	6.4
71.01375	2.1
81.03462	2.9
83.01395	12.1
85.02950	2.9
95.01409	9.9
107.01408	20.2
108.02187	3.4
109.02966	100.0
110.03323	3.8
111.00890	2.7
119.01394	1.3
123.00919	2.5
124.01653	12.9
125.02457	22.6
133.02992	4.1
135.00917	9.9
135.04523	1.7
137.02429	3.5
139.00375	1.6
139.04047	4.2
147.00955	1.3
148.42447	1.4
151.00388	57.4
152.01175	20.2
153.01955	30.0
159.04520	2.8
161.02440	4.6
163.00394	65.7
164.00862	4.9
165.01904	1.4
169.01402	2.8
174.03201	1.5
175.04021	5.4
176.02930	1.3
178.99878	34.9
180.00087	1.3
181.01393	1.5
183.04501	2.9
185.02530	1.6
187.04021	4.7
189.01935	2.3
190.99889	46.0
192.00291	1.6
199.04019	2.2
201.05476	1.7
203.03534	4.5
206.99368	32.0
207.02869	1.8
208.00117	20.1
211.04063	8.2
217.05074	4.7
227.03534	20.0
229.05128	2.4
231.03001	6.9
243.02971	1.3
245.04590	9.9
255.03015	24.1
256.03458	1.6
258.01651	3.0
271.02457	7.0
273.04044	4.3
285.08844	1.9
299.02048	16.2
299.05441	2.6
307.08429	1.3
317.03036	11.1
317.06616	2.6
317.10889	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2542
Annotation	CHEBI:79290
Peak:m/z	Relative Intensity
57.03442	1.6
59.01387	100.0
60.01733	1.0
77.00370	0.6
84.78474	0.6
98.20670	1.7
103.08430	0.6
134.91116	0.6
138.73398	0.6
144.16847	0.6
155.13589	0.6
197.19147	8.5
198.19453	0.9
225.22307	3.6
229.05591	0.8
235.20746	0.8
237.22243	1.9
253.21851	0.8
255.23306	15.3
256.23599	2.0
278.85324	0.7
297.24326	3.8
315.25421	34.6
316.25769	3.7
327.59116	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2542
Annotation	(9S,10S)-9,10-Dihydroxyoctadecanoate
Peak:m/z	Relative Intensity
51.46731	0.7
52.69040	0.7
58.56102	0.7
59.01387	100.0
60.01714	1.5
69.24696	4.9
69.25114	2.0
71.54825	0.7
75.89394	0.6
79.27568	0.6
85.02957	14.2
98.20657	1.6
106.08736	0.7
160.86545	0.7
179.77840	0.9
196.05696	0.7
211.20779	4.2
219.61911	0.8
248.95601	0.8
297.24469	1.3
300.02695	0.8
315.25418	35.4
316.25821	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2544
Annotation	(9S,10S)-9,10-Dihydroxyoctadecanoate
Peak:m/z	Relative Intensity
59.01390	6.8
65.39205	0.5
71.24505	0.8
74.54425	0.5
83.05025	0.5
83.95906	0.6
90.00197	0.5
95.01388	2.3
97.06603	0.7
125.09723	0.9
127.11309	2.4
141.12872	5.1
142.54715	0.5
143.10773	1.7
151.00432	0.6
155.10791	1.3
171.10349	3.8
171.13943	1.1
181.78175	0.6
201.11327	1.3
216.04749	0.5
239.20279	0.8
255.23326	0.8
264.90411	0.5
269.04898	0.5
279.23328	2.0
289.69452	0.6
295.22998	1.5
297.24347	8.1
298.24692	0.5
300.02878	1.1
311.22150	0.6
312.76443	0.5
313.23871	8.7
314.24127	0.7
315.05106	1.0
315.25421	100.0
316.25781	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	315.2544
Annotation	CHEBI:79290
Peak:m/z	Relative Intensity
52.71586	0.8
59.01387	100.0
60.01740	1.5
64.91525	0.6
71.53915	0.6
72.15571	0.7
86.06665	0.6
109.02933	0.8
143.32115	0.7
160.50612	0.7
169.07320	0.8
195.34000	0.6
197.19115	8.0
198.19400	1.3
225.22281	2.9
235.20871	1.3
237.22231	2.6
253.21815	1.0
253.83075	0.7
255.23314	16.6
256.23633	0.9
297.24393	3.2
300.02835	1.7
315.05209	1.3
315.08414	0.9
315.25412	34.5
316.22433	1.0
316.25656	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	315.1242
Annotation	Pochonin F
Peak:m/z	Relative Intensity
52.33268	1.8
55.84795	2.0
59.01376	7.7
61.32430	2.1
62.35160	2.0
63.47452	1.9
68.99821	2.6
71.01382	2.8
71.54688	2.9
87.00880	3.6
87.79350	2.0
89.02430	2.2
93.03484	2.3
95.01409	5.9
95.05042	2.2
101.66410	2.3
103.04054	2.4
107.05021	3.0
108.02151	5.7
109.02937	4.0
109.06604	5.2
110.00123	5.3
110.94371	1.9
111.04546	3.2
117.03458	12.5
119.05044	23.4
121.02952	5.7
123.04605	2.2
132.05856	11.7
133.02992	3.3
133.06607	4.8
134.03761	24.3
135.00903	2.4
135.04460	2.4
137.06111	86.2
138.06384	3.5
139.03999	5.8
143.05045	7.2
145.03021	9.9
145.06700	2.2
147.04555	2.4
149.06107	5.8
158.03580	2.8
159.04535	70.8
160.05305	11.4
161.06087	4.9
164.26141	2.2
167.05080	2.8
169.06602	6.6
171.04514	8.5
172.05330	11.7
173.05817	2.7
175.07666	100.0
176.08046	4.2
177.05560	12.6
183.04558	4.2
183.08101	2.6
185.06105	18.4
186.03159	4.4
186.06834	6.9
187.03940	3.5
187.07506	2.4
195.08119	2.2
197.06003	2.4
198.06828	5.4
199.04005	3.3
199.07674	3.1
200.04686	3.4
201.05624	5.0
203.07094	2.5
210.25899	2.0
211.04062	4.3
211.07628	9.7
213.05620	11.9
213.09192	7.2
214.06346	15.4
215.07014	3.2
217.04279	2.1
221.93608	2.1
223.07559	2.2
224.04593	2.7
225.09241	3.7
226.09955	6.3
227.10634	2.8
228.11528	2.9
229.08731	3.0
238.09944	5.8
239.07185	5.3
242.05893	11.4
243.13940	3.9
253.08745	8.9
254.09419	13.6
255.10205	2.4
257.08218	42.2
258.08539	4.2
269.11880	25.1
271.04016	2.9
272.03049	4.0
297.07947	3.1
297.11325	28.8
297.18631	2.9
300.02829	12.5
315.05096	12.0
315.08618	5.0
315.12390	86.7
315.25336	8.6
316.12692	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	315.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52332	0.9
57.03436	1.0
59.01388	100.0
60.01716	1.2
69.63380	4.0
69.63780	2.1
71.05032	1.1
86.10366	0.9
94.37540	0.9
104.33529	0.9
126.31502	0.9
180.12659	1.0
182.45670	1.0
183.17532	3.2
197.19110	2.7
237.22362	1.3
255.23335	15.6
256.23700	1.4
297.24289	1.8
300.02585	1.2
315.05215	1.9
315.19339	3.1
315.25418	39.2
316.25732	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	315.1089
Annotation	Taxicatin
Peak:m/z	Relative Intensity
51.30614	0.4
59.01392	0.8
70.99101	0.5
70.99436	0.9
71.01381	0.6
95.01416	0.6
95.05029	0.7
101.02502	0.5
109.02961	6.9
110.03352	0.4
122.03747	0.8
123.04539	73.8
124.04897	2.6
135.04570	1.0
139.00368	1.0
151.04065	0.4
153.02045	5.4
153.05591	100.0
153.54720	0.4
154.05936	5.0
229.43916	0.4
272.74985	0.5
286.17139	0.4
308.97565	0.4
315.03931	0.4
315.07269	1.4
315.10913	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	315.1242
Annotation	Pterolinus C
Peak:m/z	Relative Intensity
58.71471	1.0
59.01381	5.4
62.10527	1.3
63.02423	1.4
65.00342	1.3
67.78016	1.2
72.61778	1.3
75.00903	1.3
81.35537	1.1
81.75069	1.1
83.05015	1.7
87.00905	1.8
93.03445	1.6
95.01385	2.6
95.05019	3.4
97.02972	2.0
99.08125	1.7
99.47598	1.2
102.16259	1.2
107.01360	2.8
108.02192	9.2
109.03005	1.3
111.04594	2.6
117.03463	4.1
119.05042	12.2
121.02967	2.4
123.00868	1.3
124.01627	1.7
132.05801	8.8
134.03752	11.8
136.01675	4.5
139.04015	4.2
143.05055	6.0
145.02959	7.9
151.00432	1.4
153.01968	1.2
158.03699	1.6
159.04530	70.7
160.05261	11.2
164.01144	7.9
169.06560	3.2
171.04561	3.0
172.05270	2.6
173.73663	1.1
175.07654	100.0
176.07986	5.9
177.05585	11.3
185.06071	4.7
186.03200	3.0
187.03984	1.5
188.04755	1.8
196.00110	6.5
198.06863	1.6
199.03960	3.1
201.05533	1.4
205.14203	1.5
209.10861	1.6
213.05580	3.8
213.09200	2.8
214.06253	6.4
223.07541	2.7
242.05809	3.1
243.13918	3.3
256.11029	2.3
257.08221	16.3
285.04068	1.7
297.11218	1.5
299.05704	2.3
300.02695	2.9
300.06351	4.3
315.04941	4.0
315.08698	35.5
315.12393	22.9
315.15793	2.6
315.21777	2.3
316.09039	4.6
316.12500	2.8
320.23529	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0881
Annotation	Mucroquinone
Peak:m/z	Relative Intensity
56.56792	0.4
59.01382	1.3
65.00037	0.5
65.00357	2.0
68.31926	0.4
68.35959	0.4
69.34504	3.9
72.49916	0.4
83.01422	1.1
85.02982	0.5
85.79700	0.6
91.01906	14.4
93.03449	2.4
95.01394	1.5
105.01940	0.6
107.01427	2.0
108.02218	2.3
109.02943	2.6
110.00121	1.4
111.00887	3.2
121.02954	5.6
123.00931	2.7
124.01694	1.1
125.02437	2.9
131.05048	0.6
132.02190	1.0
133.02959	1.8
135.00897	25.2
136.01749	2.3
137.02452	4.0
138.03206	0.6
143.04982	0.7
147.04521	0.7
148.01680	6.2
149.02455	67.0
149.37050	0.4
150.02782	2.9
151.00404	4.3
151.04041	2.0
153.01961	7.4
153.05528	0.6
155.05019	0.6
157.06630	0.9
158.03737	0.7
159.04556	1.2
160.01611	1.4
161.02457	13.5
162.02870	0.6
163.00391	5.9
163.04053	2.8
167.05089	0.9
169.06581	1.4
170.03775	0.8
171.04564	1.3
173.02437	1.3
173.06131	1.4
175.03998	1.9
176.01149	1.8
177.01855	0.7
180.00615	2.6
183.13997	0.5
185.06123	2.2
187.04008	3.8
189.05659	2.5
195.04510	1.6
197.06053	1.7
198.03192	1.3
199.04001	3.7
200.04753	0.6
201.02008	0.9
201.05577	1.8
202.02713	2.4
203.03511	0.6
207.10300	0.5
208.10628	0.7
209.10837	1.4
211.04027	2.8
212.04562	1.2
213.05559	12.4
214.02757	2.1
214.05930	0.8
215.03578	4.2
216.04041	0.7
217.01436	2.0
217.05037	6.1
221.77583	0.4
223.04047	1.4
224.04613	0.8
226.02678	0.6
227.03418	1.4
228.04109	0.5
229.05067	5.4
230.05554	1.2
232.03790	0.6
239.03546	3.8
240.04112	0.9
241.05049	6.7
242.02188	4.6
242.04555	0.6
243.03038	4.9
244.03409	0.6
255.03000	1.7
256.03748	1.5
257.04578	11.3
258.04904	0.8
259.02466	3.3
267.03055	3.5
268.03662	1.4
269.04578	3.8
270.01624	3.7
270.04449	0.7
271.02515	4.8
272.03113	0.8
283.06137	0.9
284.03369	1.1
285.04068	80.3
286.04416	8.1
287.01990	12.8
288.02417	0.9
299.05380	0.8
300.02887	10.6
300.06369	100.0
301.03375	0.7
301.06732	9.6
315.01367	8.2
315.05237	6.9
315.08743	87.6
315.21631	1.6
316.05417	0.9
316.09061	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	315.0727
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
58.41327	0.5
59.01383	1.0
66.92150	0.6
71.01381	2.3
71.53300	0.9
76.74814	0.6
81.03414	0.6
81.23168	0.5
84.00925	0.5
85.02956	0.8
92.92809	0.7
95.01376	1.0
101.02449	0.7
103.75181	0.5
108.02187	49.7
109.02965	85.8
110.03284	3.1
117.05584	1.0
123.00857	0.6
123.04534	6.9
133.03059	0.5
135.00935	1.0
152.01167	31.6
153.01952	100.0
153.05545	7.4
154.02290	4.3
154.05090	1.6
165.01933	0.9
195.02914	0.9
210.32161	0.6
262.19238	0.5
267.87631	0.5
315.07233	46.4
316.07547	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	315.0726
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
50.25312	0.4
59.01393	0.9
65.03976	5.9
67.01899	2.4
71.01379	3.1
73.02948	0.8
85.02969	1.0
101.02473	0.7
109.02963	100.0
110.03325	3.6
113.02492	1.1
123.04516	1.5
128.85278	0.4
135.00911	4.0
153.01952	64.4
153.05435	2.6
154.02306	2.3
161.04553	1.2
193.62714	0.4
202.37306	0.4
248.33888	0.4
315.07239	23.2
316.07581	2.2
325.64737	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0724
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
51.02120	0.7
54.57675	0.6
55.61279	0.6
57.15781	0.6
59.31929	0.5
59.60136	0.5
71.01395	2.1
71.44844	1.0
72.08589	0.6
81.03485	1.2
85.02973	2.0
88.27908	0.7
95.01389	1.6
101.02441	1.4
108.02187	100.0
109.02992	31.2
110.03323	1.1
113.02459	1.7
121.03025	0.8
123.04549	1.2
124.21414	0.7
133.02927	0.9
151.04005	1.8
152.01167	69.3
153.01964	31.0
154.02261	1.8
163.04051	1.4
165.01901	1.1
225.04114	0.6
229.55476	0.7
263.33249	0.6
315.07251	73.1
316.07584	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	315.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40261	0.4
51.77257	0.4
52.42371	0.4
57.03422	0.6
59.01387	0.8
63.02386	0.8
63.66475	0.4
65.00344	1.2
70.59071	0.6
70.59416	1.3
71.01421	0.5
71.29130	0.4
81.03480	0.9
83.01386	1.7
95.01403	1.0
102.59181	0.4
107.01399	2.6
108.02190	1.5
109.02963	0.8
110.00101	2.1
119.05059	0.8
123.00909	2.6
124.01671	1.2
125.02498	3.6
130.04285	0.6
134.03691	0.7
136.01663	0.7
139.04057	0.6
145.02975	1.0
146.03711	0.8
147.00929	0.5
148.01730	2.7
149.02400	0.9
149.99573	1.2
151.00388	5.5
153.01904	0.8
158.03720	0.6
158.88924	0.4
159.04518	4.7
161.02457	6.0
162.03139	0.9
163.00360	0.8
163.04022	1.1
164.01137	1.3
172.05226	1.0
174.03239	3.9
175.03893	0.7
175.07645	5.6
176.01147	0.8
177.01912	1.5
177.05539	0.6
185.02434	0.8
186.03172	0.6
186.06779	0.6
187.03983	1.5
188.01170	0.9
188.04749	1.7
189.01944	1.1
190.02690	4.0
192.00681	0.8
199.04070	1.0
200.04808	1.8
201.01924	3.5
202.02696	2.4
203.03514	19.7
204.04103	2.7
205.01387	1.6
212.04735	1.1
213.01930	1.5
213.05415	0.5
214.02745	12.2
215.03508	4.4
216.00670	0.7
216.04228	4.8
227.03479	4.7
228.04250	4.4
229.01468	3.4
229.04741	0.7
230.02174	4.1
231.02991	11.0
232.03769	41.1
233.04173	2.9
238.02684	1.0
242.05861	0.8
243.02974	10.4
244.03745	3.9
247.05940	1.1
255.03017	1.7
256.03757	5.4
257.01132	0.6
257.04138	1.0
257.08197	2.0
258.01688	0.9
271.02487	7.5
271.10803	0.7
272.03214	7.6
282.01746	0.6
298.53564	0.5
299.02032	1.0
300.02768	88.1
301.03128	7.4
312.70306	0.6
314.23724	0.5
315.05121	100.0
315.12320	3.5
316.05450	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	315.0513
Annotation	SYDOWININ B
Peak:m/z	Relative Intensity
52.01991	0.6
53.30913	0.5
59.01379	0.9
63.02404	2.1
65.00330	1.6
81.30249	0.6
83.01364	0.7
87.11877	0.6
91.01900	1.2
95.01384	3.3
107.01391	2.3
108.02167	1.2
109.02985	1.4
119.01399	1.8
121.02939	0.7
123.00900	2.7
128.06232	0.6
133.02991	0.8
135.00882	2.9
136.01642	1.6
137.02454	2.3
139.00267	0.6
148.01680	4.2
150.03259	0.8
151.00360	4.0
155.05064	0.9
157.02934	0.5
158.03738	1.3
159.04517	0.8
161.02399	1.0
163.00345	1.3
171.04565	1.6
172.05273	0.9
174.03239	1.1
175.04010	1.3
175.07639	0.8
176.01033	0.7
183.04607	3.6
185.02466	1.1
187.04022	2.1
188.04756	1.9
195.04517	0.9
198.03247	0.8
199.03996	3.7
200.04793	2.3
201.02023	1.8
202.02834	0.7
203.03482	1.7
208.16687	0.6
209.10995	0.6
211.04050	3.0
212.04756	1.8
213.01868	0.8
214.02669	1.1
215.03473	3.9
216.04282	5.7
216.98819	0.6
217.04874	0.6
226.02727	1.5
227.03523	11.3
228.04178	2.5
229.01457	0.6
229.05159	3.9
232.03790	3.3
239.03506	2.2
242.02130	2.5
243.02991	14.1
243.06668	0.9
244.03621	2.8
248.03267	1.1
255.03006	38.5
256.03564	7.1
257.04556	6.3
258.04904	0.7
267.03104	0.7
270.01688	1.0
271.02499	35.3
272.03247	26.6
273.03665	1.5
283.02499	20.2
284.03278	55.4
285.04010	33.7
286.04742	8.8
287.02280	1.2
287.05603	14.8
288.06076	1.0
300.02783	16.1
300.05884	0.8
301.03262	1.2
315.05127	100.0
315.21747	1.7
316.05496	11.5
316.09036	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	1.4
59.01356	0.8
65.00303	0.8
69.79414	0.5
71.54887	0.8
74.30132	0.5
81.03430	0.9
82.28406	0.5
101.96223	0.5
104.93638	0.5
107.01352	1.7
109.02915	1.1
109.40863	0.4
119.04965	0.8
121.06551	0.5
124.01588	0.6
125.02453	5.5
130.71712	0.4
133.02911	0.5
134.03654	0.6
135.00870	0.5
148.01665	2.4
151.00398	3.3
153.02000	1.0
159.04483	1.2
175.07616	1.3
188.04762	0.6
199.03905	0.5
201.01904	0.5
203.03506	0.6
213.05463	0.6
215.03485	1.7
227.03452	1.1
243.02982	1.4
256.03845	1.0
257.08234	0.8
271.02499	1.7
271.09561	0.7
272.03271	19.8
273.03598	1.4
300.02762	100.0
301.03134	8.4
315.05118	57.1
316.05499	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2752
Annotation	2-Methoxyoctadecanoic acid
Peak:m/z	Relative Intensity
57.03456	12.4
59.01399	0.5
61.92578	0.5
64.05337	0.5
69.03462	3.5
69.45821	4.1
74.27283	0.5
74.99075	1.0
83.69159	0.6
91.02230	3.6
109.88558	0.6
207.10352	1.5
251.23814	1.1
267.26941	46.3
268.27359	4.6
283.02481	0.6
295.26413	2.3
298.04852	0.6
313.03549	1.5
313.07101	1.1
313.16763	1.8
313.27505	100.0
314.27866	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	314.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.2
69.69939	7.2
71.01422	1.7
72.00939	2.9
74.02479	10.0
78.36282	1.1
78.89640	1.1
79.89108	1.2
85.02992	1.2
87.42023	1.1
104.03551	22.6
111.08169	1.9
113.06143	1.3
114.75288	1.2
133.02940	1.1
145.02896	2.7
151.00420	1.8
153.02013	1.6
165.12871	27.6
183.13919	100.0
184.14285	6.4
192.13901	1.1
208.17079	4.2
209.11873	2.7
222.14902	1.4
227.12915	70.2
228.13274	5.0
252.16043	2.0
284.15115	3.5
285.04172	2.1
297.03952	2.2
300.02505	1.6
314.04132	2.7
314.16171	13.2
315.05069	10.9
315.46307	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.4
59.01418	0.8
60.99315	1.5
65.39391	0.5
70.36117	1.4
70.36481	1.2
72.00909	3.3
72.04547	1.6
74.02485	100.0
75.02816	0.7
79.77405	0.6
83.05037	1.3
84.04551	1.7
85.02959	7.9
86.02498	1.7
86.03312	2.9
88.04076	0.7
97.06609	1.2
97.45010	0.7
104.03550	19.4
111.08164	1.4
121.02907	0.6
129.02008	1.2
147.03044	0.9
165.12862	8.7
181.15996	2.4
183.13887	2.4
194.15454	1.6
196.17152	0.8
208.17088	67.2
209.11920	0.7
209.17397	5.8
222.12839	1.0
222.15019	17.8
223.15366	1.6
227.13002	3.7
234.15063	1.5
240.16066	7.2
251.87054	0.7
252.16083	20.6
253.16278	1.6
266.14020	11.1
270.17126	2.1
278.14011	1.6
284.15063	17.5
296.15085	5.7
314.16129	78.1
315.16373	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	313.145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80594	0.3
55.73408	0.2
65.38034	0.2
68.99817	0.8
69.75815	1.5
83.01378	1.2
83.96458	0.2
90.87242	0.2
93.03452	0.4
93.27246	0.3
95.01430	0.6
97.02966	0.7
109.02988	0.5
119.05042	0.5
121.02865	0.3
123.00909	3.4
124.01695	0.8
137.02464	8.8
138.03267	6.0
139.04001	1.1
151.04030	0.9
153.01993	0.3
156.00693	1.4
160.01640	0.5
165.09235	1.7
166.09557	0.3
170.02228	17.1
171.02542	0.6
174.03130	0.4
180.26282	0.2
189.05609	0.7
192.07814	0.2
198.03253	0.8
200.93434	0.3
201.02061	0.3
202.02797	0.8
205.23311	0.2
207.10283	100.0
208.10622	8.0
226.02750	2.1
227.03227	0.3
242.02205	0.3
243.06470	0.3
270.01721	0.9
283.02454	0.3
285.04095	3.0
286.04135	0.4
289.25354	0.2
297.04077	0.3
298.01349	0.4
298.04770	0.5
313.03683	3.3
313.07181	0.7
313.14481	13.9
314.04025	0.3
314.14841	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2387
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
53.01964	0.8
55.67800	0.7
59.01389	100.0
60.01735	0.9
69.37792	6.0
82.18336	0.9
84.02200	2.0
89.02347	0.9
96.01281	0.7
97.51171	0.7
97.59789	0.7
115.04043	0.9
119.11005	0.8
122.70210	0.8
149.09917	0.7
185.00842	3.0
195.17549	1.9
207.10330	1.4
235.20657	1.3
251.23802	6.4
253.21771	8.1
258.12643	1.0
290.11649	1.1
295.22946	1.4
298.04794	1.3
313.11053	0.8
313.18405	13.5
313.23877	37.8
314.18323	1.0
314.24243	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	313.0932
Annotation	Phyllanthurinolactone
Peak:m/z	Relative Intensity
51.59148	1.7
55.01875	4.0
57.03437	4.8
57.49261	1.9
59.01385	25.3
70.84901	3.3
70.85220	2.7
71.01389	37.1
72.99306	3.8
73.02949	12.3
75.00874	6.3
76.31422	2.2
80.67641	1.8
83.01410	7.7
85.02962	43.6
87.00888	4.2
89.02421	4.1
93.03466	42.3
95.01397	5.2
97.33708	2.0
99.00908	4.8
101.02469	23.6
107.05050	29.9
108.02206	5.8
109.03005	2.7
110.04345	2.0
113.02484	13.5
121.02938	10.0
123.04554	8.5
125.02444	2.1
129.01962	4.0
133.02985	3.7
135.04550	6.7
137.02502	2.0
147.03029	2.0
149.02469	13.9
151.04018	79.5
159.02994	3.5
161.04568	10.9
191.01938	3.4
269.10181	2.8
283.02545	3.4
298.05014	3.6
313.09351	100.0
314.09622	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	313.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24016	0.3
59.01385	0.6
61.07729	0.3
61.60214	0.3
62.45721	0.3
68.99836	0.9
71.54076	0.4
83.01406	1.2
93.03465	0.9
95.01383	0.7
97.02979	0.8
105.03484	1.0
109.02966	0.6
117.03481	2.1
119.05037	4.2
121.02992	1.6
122.03735	0.5
123.00886	3.6
124.01682	0.6
134.03700	0.6
135.04559	0.4
136.01680	0.4
137.02449	8.6
138.03273	3.4
139.04002	1.0
140.54700	0.3
140.93500	0.3
149.02452	1.0
151.04025	0.9
156.00682	1.7
161.02473	3.2
162.03221	1.7
164.04773	0.6
165.09212	1.3
167.03490	0.4
167.75070	0.3
170.02225	20.0
170.91139	0.3
171.02586	0.7
174.03259	2.5
179.03517	0.5
189.05635	0.7
194.02196	2.1
206.02242	3.6
207.10275	100.0
208.10620	6.9
237.05574	0.4
243.06754	0.5
253.08908	0.5
255.02995	8.3
256.03333	0.6
267.06433	0.4
268.07269	1.6
270.05261	0.5
279.06607	1.4
280.07422	1.6
283.02570	4.0
283.09769	1.0
295.09760	11.9
296.10153	0.9
298.01410	0.5
298.04855	9.0
299.05203	1.5
313.03360	1.0
313.07166	7.5
313.10837	23.4
313.14499	14.5
313.18021	1.8
313.23874	1.1
314.07642	0.6
314.11188	2.5
314.14853	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1448
Annotation	isobacteriochlorin
Peak:m/z	Relative Intensity
51.22756	0.3
53.82555	0.3
54.05128	0.3
66.43008	0.3
68.99805	1.1
70.83588	0.7
70.83941	0.4
83.01420	1.1
93.03436	0.4
95.01402	0.7
96.44484	0.3
97.02948	0.6
109.02922	0.4
114.64540	0.3
121.36736	0.3
123.00887	3.8
124.01662	1.1
137.02463	8.6
138.03249	6.2
138.69052	0.3
139.04019	0.8
156.00713	1.7
156.01723	0.3
165.09229	1.9
170.02226	17.7
171.02623	0.4
189.05605	1.1
207.10274	100.0
208.08771	0.6
208.10638	7.8
243.06798	0.4
313.14474	15.6
314.14859	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	313.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29972	0.3
55.50972	0.3
70.81934	0.7
93.03475	0.6
104.13136	0.3
121.02971	100.0
122.03293	3.5
123.00962	0.5
123.81924	0.3
133.06665	0.6
137.02495	1.6
138.03250	1.1
139.04018	0.4
145.06602	0.6
151.04079	0.3
163.07712	0.5
170.02223	3.2
180.05833	0.9
181.06612	4.2
182.06921	0.3
207.10287	18.3
208.10651	1.0
225.05602	6.5
253.18880	0.3
298.04956	0.6
313.07199	14.2
313.10889	0.8
313.14401	2.0
314.07596	1.6
332.34390	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0721
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
51.30310	0.7
53.83584	0.6
58.92902	0.6
59.01398	1.3
62.28868	0.7
65.00355	1.0
75.00897	0.7
80.08303	0.7
83.01409	0.9
95.01435	0.8
119.05044	1.4
121.02962	2.4
123.00903	1.7
123.04638	0.7
130.99971	0.6
132.02200	1.0
133.02957	4.3
137.02458	3.3
138.03206	1.4
149.02397	0.9
153.02013	1.0
161.02461	1.1
166.69716	0.8
167.04938	0.8
170.02271	6.6
177.01897	1.6
178.99907	3.4
183.04576	1.5
198.03180	2.8
199.03964	2.0
201.01991	1.3
202.02542	0.9
207.10257	36.3
208.10611	2.2
211.03998	2.6
213.01961	1.0
214.02734	2.5
227.03494	3.6
239.03514	1.6
242.02182	5.2
253.01498	1.6
255.03012	47.3
256.03397	4.1
268.03751	0.9
269.01523	1.2
269.04572	22.1
270.01675	2.7
270.04895	2.3
281.01010	2.7
281.04471	1.5
283.02509	47.8
284.02805	3.5
285.04071	2.5
295.02512	1.6
297.04062	50.9
298.01263	7.7
298.04797	33.8
299.01883	1.1
299.05231	2.8
311.02042	1.6
313.03561	39.1
313.07220	100.0
313.14508	6.7
314.03925	3.4
314.07556	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	313.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27187	0.5
58.01340	0.5
65.00118	0.4
70.60595	1.3
93.03622	1.9
132.02328	0.9
137.08617	0.4
141.03648	1.3
143.05040	2.2
155.04134	0.5
155.05013	2.1
160.98981	2.0
161.99718	1.4
163.99089	0.4
164.53220	0.4
167.05167	1.2
170.02350	1.2
171.04581	0.9
173.06342	0.5
182.03807	0.7
183.04492	2.6
189.99182	0.6
195.04559	1.0
198.03189	0.5
199.04062	4.5
199.05605	0.4
207.10287	7.0
211.03998	6.4
214.02727	0.6
216.67223	0.5
226.02866	1.4
227.03520	16.5
228.03920	1.3
237.01981	2.7
239.03523	9.6
240.04260	1.0
242.02408	0.8
242.05872	0.6
254.02225	0.8
254.05966	1.3
255.03006	19.1
256.03497	1.5
270.01740	1.6
282.01688	1.7
283.02512	38.8
284.02881	2.3
285.04105	1.2
297.04083	2.0
298.04843	100.0
299.05191	9.4
313.03638	4.8
313.07169	58.2
314.04031	0.7
314.07556	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0358
Annotation	Desmoxyphyllin A
Peak:m/z	Relative Intensity
59.01374	0.8
59.31962	0.5
65.00325	1.9
65.49927	0.6
79.45865	0.5
83.01381	0.9
91.01910	2.4
101.22022	0.5
102.00121	0.5
107.01421	2.3
119.05053	1.3
121.02957	1.2
123.00916	1.1
125.02459	3.5
132.02127	0.6
133.02995	2.7
133.06609	9.9
134.06927	0.7
135.00870	3.1
135.04547	0.7
137.02464	2.5
138.03249	1.7
145.02946	2.0
148.01750	0.5
149.02434	0.6
151.00388	6.0
151.03946	0.6
153.01930	1.6
154.04237	2.0
158.03754	4.4
161.02481	3.4
161.06078	2.2
163.00414	1.5
164.01328	0.7
169.02960	1.1
170.02211	6.4
170.03731	2.6
173.02408	1.5
174.03271	2.4
176.01224	0.7
177.01947	1.2
182.03726	1.1
185.02519	1.9
186.03259	3.5
187.00359	2.6
188.01089	1.8
189.01984	1.4
197.02440	1.7
198.03227	9.7
199.03726	0.8
201.02011	2.6
202.02632	1.9
205.01428	1.0
207.10281	35.4
208.10614	1.9
210.03381	0.8
213.01965	4.5
214.02747	10.6
215.03165	0.7
218.02133	1.0
225.01921	0.9
226.02747	25.0
227.03134	2.5
229.01477	2.0
230.02200	1.2
237.02000	2.7
241.01422	0.9
241.05116	1.4
242.02226	36.3
243.02594	2.3
253.01387	3.8
254.02281	5.7
255.02727	0.9
269.01044	3.1
269.04562	2.3
269.08215	1.8
270.01718	55.5
271.02017	3.7
281.00955	7.5
283.02405	0.8
285.04102	23.7
286.04410	1.6
297.00427	3.9
298.01205	22.7
298.04568	1.1
299.01633	1.5
313.03577	100.0
313.06830	4.6
313.11093	2.2
313.14102	5.1
314.00549	0.5
314.03967	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	313.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83199	0.5
55.58161	0.4
59.01383	0.4
68.99833	0.4
69.16257	1.2
69.16676	2.6
69.91322	0.4
70.50636	0.4
83.01422	0.3
95.01446	0.4
110.87067	0.3
119.05051	5.9
121.02961	0.5
123.00911	1.3
128.58553	0.3
133.03021	0.4
135.00919	1.4
137.02460	2.5
138.03249	1.0
139.04004	0.5
151.04082	0.4
153.01907	0.6
155.05051	3.7
159.04573	0.4
161.02480	0.8
161.06165	0.3
163.17732	0.3
170.02240	5.7
171.04515	1.0
174.01694	0.4
178.99849	0.4
179.70816	0.4
183.04527	2.3
185.02480	0.6
187.03975	0.5
189.39044	0.3
199.04044	1.0
205.73331	0.3
207.10289	27.9
208.10619	1.4
211.04039	1.5
227.03528	76.2
228.03891	5.0
239.03497	0.8
255.03026	82.0
256.03397	6.9
266.02188	1.9
267.02890	0.8
269.04599	1.0
270.05350	8.0
271.05661	0.8
281.37677	0.4
282.01758	2.7
283.02496	12.2
284.02945	1.2
285.07803	0.6
297.04190	0.7
298.04865	100.0
299.05188	9.3
313.07230	78.5
313.10571	4.0
313.14615	4.7
314.07578	8.2
314.10806	0.4
314.14835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.036
Annotation	ophioglonin
Peak:m/z	Relative Intensity
52.38978	0.4
57.03253	0.3
57.03465	3.7
59.01379	1.3
63.02397	1.9
65.00330	4.6
71.01397	0.7
71.05261	0.4
71.54430	0.5
74.02505	0.5
79.96421	0.4
81.03468	2.0
83.01395	14.7
85.02978	1.8
107.01408	7.0
117.03512	0.6
119.05028	3.2
121.02955	0.6
125.02467	36.8
126.02819	1.0
131.01404	3.2
133.02979	2.2
135.04526	0.4
146.58804	0.3
149.02525	0.4
150.99202	0.8
151.00400	14.6
151.07687	0.6
152.00719	0.7
159.00912	11.9
159.04639	0.5
160.01639	1.9
161.02470	52.4
162.02835	2.7
166.12636	0.3
171.04588	0.4
174.03242	0.8
175.04048	1.2
176.01057	0.4
177.01971	1.0
185.02484	0.4
187.00398	6.4
193.01372	0.6
198.03253	1.2
199.03975	1.3
201.01936	1.2
202.02699	0.4
202.99884	1.1
209.07141	0.5
214.02753	0.8
217.05048	1.0
226.02853	0.7
227.03618	0.8
241.01299	0.5
241.04965	0.6
242.02182	2.0
243.02922	1.7
245.04536	0.5
255.03262	0.6
269.04559	1.3
270.01639	1.0
270.04944	0.6
281.00726	0.6
283.02441	0.4
285.04068	2.0
295.02411	2.0
297.00461	0.5
298.01205	4.1
298.04767	1.4
313.03577	100.0
314.03909	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	313.0358
Annotation	Endocrocin
Peak:m/z	Relative Intensity
50.49421	0.5
54.19473	0.4
59.01369	1.2
63.02409	4.9
65.00330	2.5
68.99783	1.1
83.01378	1.8
85.02936	0.7
93.03441	1.3
95.01393	1.0
97.02968	0.8
100.04509	0.5
107.01402	2.9
109.02927	0.8
117.03477	7.9
117.42001	0.5
119.05010	0.8
121.02912	0.7
123.00871	4.5
124.01682	0.6
135.04536	1.2
137.02457	9.0
138.03264	4.4
139.03999	0.7
147.00844	0.6
149.02486	1.3
151.00345	2.2
151.04041	1.1
155.05035	0.6
156.00629	1.9
158.03795	0.8
159.04539	3.1
160.01691	2.6
161.02406	1.6
165.09200	1.4
170.02231	18.7
170.03726	0.9
173.02481	0.8
174.03217	2.1
177.05614	0.5
181.06546	0.8
183.04579	0.7
189.05533	1.1
197.06053	1.7
198.03265	3.2
199.03938	0.8
200.01166	1.0
201.01929	1.4
201.05525	0.8
202.02750	3.9
207.10277	100.0
208.10623	5.4
211.03995	0.6
211.13452	0.7
213.01962	0.8
224.04686	0.6
225.05621	1.7
226.02751	8.9
227.03302	2.4
229.14571	0.7
242.02234	1.5
255.03033	2.1
269.04575	79.7
270.01782	4.0
270.04968	7.8
271.02390	0.9
283.02490	2.6
285.04089	14.9
286.04453	1.3
298.01166	3.0
298.04895	2.9
299.02045	0.9
313.03638	29.1
313.07227	5.2
313.10739	1.1
313.14438	15.1
313.19986	3.4
313.23633	1.1
314.03979	3.7
314.07199	0.8
314.14758	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28896	0.2
58.18329	0.2
70.08136	0.5
70.08521	0.6
71.79972	0.3
83.01452	0.3
83.02192	0.2
98.20009	0.4
117.03563	0.3
119.05125	0.6
121.02977	0.5
123.00967	0.6
130.04280	0.7
132.02196	0.3
137.02538	1.2
138.03264	0.6
142.04312	0.5
145.03014	0.6
145.82904	0.3
146.03804	1.0
154.04271	1.5
158.03787	1.3
160.01738	0.4
161.02487	0.6
162.03198	0.4
163.00418	0.3
164.01161	2.5
169.03041	0.7
170.02264	1.7
170.03813	2.6
171.04182	0.4
173.02560	0.5
174.03236	3.5
176.01134	1.7
177.01947	1.7
182.03796	0.9
184.01715	0.4
185.02440	2.9
186.03242	3.6
188.01176	4.2
188.02768	0.3
189.01892	1.3
190.02792	0.8
192.56111	0.3
196.01778	0.3
197.02510	0.9
198.03233	13.5
199.03638	1.0
200.01186	0.5
201.01958	3.0
202.02696	3.1
202.99872	1.6
203.03488	1.0
204.00688	0.5
205.01416	0.3
207.10281	11.1
208.10782	0.3
210.03127	1.2
212.01140	0.7
213.01953	6.7
214.02728	14.4
215.03101	0.7
218.02248	2.8
224.01154	0.5
225.02013	0.6
226.02711	3.8
229.01427	2.0
230.02213	2.3
232.00208	0.7
241.01433	1.6
242.02225	23.6
243.02480	1.9
245.00928	2.5
246.01796	0.4
252.00716	0.8
253.01433	8.6
254.02078	1.5
257.01181	0.4
258.01593	0.5
269.00912	5.5
270.01700	13.6
271.02081	1.1
273.00500	0.4
274.01343	0.5
281.00934	22.6
282.01389	2.0
283.02585	0.5
285.04086	1.8
297.00409	9.8
298.01205	51.9
299.01569	4.2
313.03555	100.0
313.14511	2.1
314.03909	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2233
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
52.99595	0.5
56.19547	0.5
57.03452	0.7
59.01116	0.6
59.01388	7.0
70.03450	1.1
70.03869	1.8
71.01410	0.7
73.02911	0.5
79.95756	0.4
95.01434	0.6
96.27974	0.6
97.06591	1.0
98.20731	0.6
99.08146	0.6
119.05048	10.4
120.05378	0.5
123.08145	0.7
125.09735	4.8
139.11307	1.7
141.09219	2.2
141.12877	1.5
153.09273	1.4
155.14426	2.3
157.12346	0.7
165.45053	0.5
171.10251	2.2
183.01207	2.2
183.13968	0.6
195.17506	0.6
199.09755	0.5
200.10498	2.3
239.23822	0.7
247.17058	1.3
249.22247	3.4
251.11249	0.9
265.21762	1.4
267.23260	0.8
275.20221	1.0
283.23138	0.6
293.21255	9.4
294.21432	0.9
296.03302	2.2
311.05722	2.9
311.13489	5.5
311.16553	2.5
311.22308	100.0
312.22653	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.85518	0.6
57.03462	4.0
57.15443	0.9
59.01385	12.9
69.03463	1.1
71.01385	1.2
71.05032	1.0
71.54042	1.1
72.99333	1.2
73.02950	0.8
97.06615	1.3
99.08156	2.5
101.02461	1.6
102.23569	0.9
109.06581	0.9
113.09733	11.7
119.05051	8.5
129.09242	2.5
135.04445	1.0
139.11296	2.4
146.83244	0.7
153.12918	4.2
161.04565	1.3
165.12823	1.5
167.14386	1.4
168.91333	1.0
183.01244	1.7
189.45226	0.8
191.18092	2.3
211.13503	0.9
229.18036	2.3
241.12383	1.0
247.20653	0.8
251.11435	1.6
265.21796	3.0
271.53479	0.9
293.21277	2.5
296.03275	3.7
311.05640	3.3
311.17148	4.5
311.22311	100.0
312.22720	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	313.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96835	0.5
61.98825	1.2
63.02410	0.8
64.05789	0.5
65.00336	6.8
70.54736	1.0
70.55109	0.8
70.66803	0.4
81.69941	0.5
82.15958	0.5
83.01395	9.9
89.00341	0.7
95.01360	0.8
102.73076	0.5
107.01401	1.2
108.02149	0.6
109.02987	2.7
117.03468	0.5
119.05032	1.8
121.03003	2.4
123.04529	0.5
131.05046	1.0
132.02203	0.5
133.02971	7.4
137.02428	0.9
143.05080	1.2
143.80133	0.5
145.02899	0.6
146.70097	0.5
147.00900	1.1
147.04520	0.8
149.02411	2.3
149.06100	0.6
151.00371	2.0
155.05006	0.6
157.03046	0.7
159.04524	0.7
161.02475	5.0
169.06615	0.8
170.02193	1.5
171.04564	1.1
173.02499	0.9
173.06113	2.4
174.03250	1.6
175.04034	12.5
176.04323	0.7
177.01973	1.2
177.05559	1.4
185.02481	0.8
185.06044	0.7
187.11301	1.0
189.05577	1.0
190.61165	0.5
195.04565	1.1
195.13945	1.0
196.05237	0.8
196.27612	0.5
197.06088	1.0
198.03218	1.7
199.04001	5.4
200.04422	0.6
201.01962	2.3
201.05756	0.5
203.03517	6.4
204.04100	0.7
207.10281	7.3
211.04068	1.2
213.05626	1.5
214.02705	0.9
215.03481	1.1
216.04282	2.1
217.05081	12.1
218.05522	0.6
223.04002	0.8
227.03531	4.4
228.04027	0.7
229.01334	1.2
239.03516	1.5
240.04288	1.3
241.04996	2.3
242.02216	0.9
243.03000	0.9
245.04568	13.9
245.07057	0.8
246.04868	0.8
255.02971	1.4
256.03665	0.6
257.04547	1.1
269.04535	0.9
270.01785	1.3
271.02402	0.6
283.02594	0.9
284.03180	2.1
285.04086	11.4
286.04468	0.9
298.01727	0.5
298.04953	1.8
313.03583	100.0
313.06760	3.6
313.11005	2.8
314.03961	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	311.2233
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.13628	0.3
55.85617	0.3
57.03452	0.4
59.01386	4.5
71.53510	0.5
73.02988	0.4
76.71010	0.4
99.08184	0.6
113.09724	1.2
115.07655	1.1
119.05038	8.7
127.07646	0.5
128.08446	0.9
139.11348	0.5
167.14447	3.3
171.10231	0.7
183.13936	2.5
195.13927	11.2
196.14255	1.1
211.13443	1.4
213.15007	1.5
239.39076	0.4
242.15353	0.6
251.11424	0.5
265.21857	1.0
267.23135	0.9
268.34653	0.5
275.20129	0.8
283.22852	0.5
293.21271	8.5
294.21442	0.8
296.03186	1.0
311.05750	1.4
311.13406	2.3
311.22311	100.0
312.22644	10.7
312.26111	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.10247	0.9
55.91115	0.8
57.03452	1.9
59.01389	7.8
71.01350	0.8
71.09400	1.9
73.02956	1.0
83.96607	0.9
85.10025	0.9
85.49389	0.9
89.86635	0.9
99.08138	1.8
119.05018	0.9
121.10256	1.4
124.69545	1.0
125.09711	2.9
127.11309	5.0
129.09227	2.2
137.09727	1.1
139.11293	8.8
142.39415	1.0
148.77483	0.9
151.11282	1.3
155.10805	2.7
160.77510	1.2
165.09212	1.4
169.12392	1.1
171.10284	55.5
172.10629	2.7
181.12334	1.6
183.01247	1.2
183.10281	2.5
185.11842	9.3
197.11928	4.3
199.13417	1.5
201.11356	9.5
211.13414	7.5
237.26720	0.9
249.22348	1.5
251.11293	1.6
265.21878	1.0
266.23175	1.3
275.20142	5.9
293.21237	17.8
294.21384	1.8
296.03336	2.5
311.05661	3.1
311.22293	100.0
312.22668	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	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.0
58.00596	6.3
59.01388	9.5
73.02955	1.8
74.83670	0.7
84.95308	0.7
95.02919	0.9
100.06297	0.8
105.92696	0.7
111.08157	0.8
119.05045	1.0
120.88424	0.8
121.10191	1.7
125.09747	3.5
127.07660	4.7
127.11309	4.7
127.12082	0.8
133.06609	1.4
137.09689	1.3
139.11311	1.0
148.32338	0.7
155.10785	2.8
157.12331	0.9
161.06076	1.2
165.09212	2.5
171.10271	7.6
183.10374	1.3
183.13921	15.3
184.14291	1.1
195.13910	0.9
199.09755	1.8
199.78178	0.8
201.11351	45.9
202.11726	2.6
213.15074	3.9
223.13530	1.1
241.14447	3.3
275.20120	3.5
293.21231	7.5
294.21542	1.0
296.03412	1.4
311.02032	1.5
311.05585	2.0
311.22293	100.0
312.22623	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	311.2232
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03447	2.2
59.01392	8.2
64.10627	0.7
68.39481	0.6
70.75970	0.9
70.76275	0.9
71.01378	0.8
73.02924	0.8
83.05003	0.8
92.90871	0.6
95.73576	0.7
97.02938	1.0
97.06622	1.7
99.08141	1.3
101.02478	0.8
102.28086	0.8
112.18743	0.7
113.09733	6.1
116.63077	0.8
119.05042	3.4
121.10276	2.8
123.08149	0.9
125.09739	1.8
126.28477	0.7
127.11311	2.2
137.09744	1.7
139.11304	20.8
140.11652	0.8
151.11310	0.7
153.09302	1.0
153.12851	0.8
155.10832	2.2
163.11311	0.9
165.12935	0.9
167.10812	1.2
171.10289	40.7
172.10628	2.1
183.01300	0.8
183.10307	0.9
185.11853	3.1
193.12376	2.0
197.11893	1.3
199.13557	0.9
201.11340	3.0
211.13451	4.5
234.80347	0.8
251.11372	1.3
275.20184	2.8
293.21265	35.6
294.21573	4.2
296.03336	1.9
311.05627	2.1
311.22314	100.0
312.22668	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
50.42395	1.3
57.03430	1.3
57.04258	1.2
59.01382	7.4
60.52108	1.2
70.84776	2.6
73.66586	1.3
83.05055	1.6
86.78223	1.1
99.08170	1.5
104.08612	1.1
109.54084	1.4
121.10243	2.4
125.09744	2.8
127.11307	5.7
137.09744	1.7
139.11327	16.2
141.12822	1.5
155.10818	2.7
171.10306	66.9
172.10684	2.9
183.10310	7.9
185.11855	14.5
198.92567	1.3
199.13406	1.4
201.11327	10.5
207.80014	1.2
211.13445	4.2
249.22238	1.7
251.11523	1.5
266.34454	1.3
275.20200	6.4
293.21277	28.5
294.21564	1.9
296.03308	2.1
300.08630	1.2
311.05838	2.3
311.22308	100.0
312.22623	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	311.2232
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
52.66418	0.8
54.64592	0.9
57.03445	3.0
57.23872	0.9
59.01384	9.7
69.03457	0.8
69.99519	3.4
79.05547	1.3
82.74294	0.8
97.06617	1.8
99.08173	3.2
101.80511	0.8
109.06603	2.7
111.08199	2.1
113.09764	4.2
117.03426	1.4
119.05013	3.1
121.02895	1.1
127.07684	1.2
127.11331	1.9
129.09259	7.3
139.11304	4.1
156.05836	1.1
165.12820	1.1
167.14307	1.6
169.12437	2.2
171.10295	12.9
173.08255	1.5
181.12357	5.6
183.04550	7.5
183.10234	1.4
183.13956	3.6
184.05310	2.2
185.11839	3.5
187.51781	0.9
193.12360	2.7
195.13905	1.5
197.06029	1.0
197.11812	7.3
198.12146	3.2
199.07672	11.7
199.12213	1.4
199.13596	1.2
200.07948	1.2
201.11397	1.8
211.13435	18.6
212.13754	1.2
237.09196	2.5
251.10982	4.0
252.11540	3.2
267.13950	18.1
268.14182	1.5
275.20197	2.9
293.21249	21.7
294.21561	2.4
296.03339	3.0
311.05679	2.3
311.12927	12.4
311.22311	100.0
312.13467	1.6
312.22592	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2232
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
58.02973	3.3
59.01389	100.0
60.01730	0.9
61.98811	1.1
66.38583	1.0
70.02982	3.2
71.01393	1.6
71.54201	1.5
74.64503	0.9
96.00936	3.2
111.00787	1.0
113.03587	2.3
114.01952	6.4
119.05078	1.7
119.80495	1.0
122.03719	1.1
131.04654	3.2
145.02951	2.1
148.85513	0.9
149.27917	1.1
157.08720	2.8
161.04626	1.1
165.09242	3.1
168.91391	1.3
175.90891	0.9
183.10310	1.0
196.17172	1.4
251.11382	3.4
251.20110	2.4
267.03119	1.2
267.19687	18.1
269.89484	1.1
275.16608	1.3
293.18387	10.8
293.21436	2.8
296.03311	3.7
311.02600	1.1
311.05826	5.5
311.09625	1.6
311.13086	6.6
311.19318	7.5
311.22394	76.9
312.22638	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03452	1.0
58.00596	6.3
59.01388	9.5
73.02955	1.8
74.83670	0.7
84.95308	0.7
95.02919	0.9
100.06297	0.8
105.92696	0.7
111.08157	0.8
119.05045	1.0
120.88424	0.8
121.10191	1.7
125.09747	3.5
127.07660	4.7
127.11309	4.7
127.12082	0.8
133.06609	1.4
137.09689	1.3
139.11311	1.0
148.32338	0.7
155.10785	2.8
157.12331	0.9
161.06076	1.2
165.09212	2.5
171.10271	7.6
183.10374	1.3
183.13921	15.3
184.14291	1.1
195.13910	0.9
199.09755	1.8
199.78178	0.8
201.11351	45.9
202.11726	2.6
213.15074	3.9
223.13530	1.1
241.14447	3.3
275.20120	3.5
293.21231	7.5
294.21542	1.0
296.03412	1.4
311.02032	1.5
311.05585	2.0
311.22293	100.0
312.22623	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	311.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.9
59.01387	100.0
64.81509	0.9
66.29834	0.8
71.01408	5.4
71.13088	1.8
73.02950	2.7
78.95920	11.7
83.01386	1.4
85.02954	3.7
99.00886	2.8
99.89606	1.0
101.02452	5.0
107.35761	1.0
113.02454	2.7
135.04526	1.4
149.06070	0.9
161.04567	4.0
166.02667	1.1
175.41818	1.2
195.12263	1.0
225.40259	1.1
269.10284	2.0
283.06165	3.1
292.14005	1.0
296.03281	1.8
311.05539	6.5
311.10571	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1291
Annotation	5,22-dihydroporphyrin
Peak:m/z	Relative Intensity
57.03455	0.4
59.01384	2.3
68.99830	0.3
69.03475	0.8
69.51639	1.9
70.33797	0.3
70.34186	0.3
71.01372	0.4
80.04978	0.2
85.02958	1.1
95.01399	3.8
96.02184	2.8
97.02959	5.7
98.20667	0.4
101.02445	0.4
109.02948	1.0
111.00895	5.0
117.03500	1.3
120.02179	0.3
128.01149	2.0
133.02968	0.8
135.04547	0.8
142.59404	0.3
145.02969	30.4
146.03563	1.2
147.04585	1.3
159.04547	0.9
161.02437	0.6
163.04022	2.3
165.09222	78.1
166.09546	4.4
168.05775	0.6
172.05302	0.4
179.03610	0.4
185.06094	7.0
186.06865	3.3
187.04044	2.2
189.05675	0.3
189.09149	1.6
196.05342	0.3
197.06087	1.2
198.06802	0.5
199.04048	0.4
213.05551	2.7
214.06383	1.4
224.04837	0.9
225.05510	0.7
227.03464	0.8
228.04410	0.3
241.05061	5.1
242.05838	3.0
243.06235	0.4
267.02963	0.6
268.03702	0.8
274.04858	4.5
283.06146	1.9
293.11856	1.3
296.03238	1.4
297.00339	0.4
311.05637	5.6
311.12906	100.0
311.72061	0.3
312.05872	0.6
312.13245	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	311.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51886	0.7
59.01385	8.7
59.10184	0.7
71.01369	0.9
71.55027	1.1
91.01907	1.7
92.47949	0.6
101.18278	0.6
117.03445	0.9
119.05009	1.3
131.82124	0.6
132.02161	2.0
135.00922	5.1
135.04434	0.7
138.57582	0.7
145.02975	1.7
147.04565	1.1
148.01738	1.1
153.01955	1.4
154.04210	1.0
160.01718	0.8
161.02470	0.7
165.09258	1.6
167.04971	1.1
182.03789	2.9
183.04504	1.0
184.05298	1.1
185.02467	1.8
195.04544	4.5
196.05144	1.3
198.03355	3.0
208.72429	0.8
210.03172	1.0
211.04048	6.0
212.04677	1.4
213.01976	0.9
214.02808	1.0
223.03951	4.1
224.04807	5.0
238.02696	2.0
239.03496	12.6
240.04196	5.5
241.01456	2.4
251.03435	2.3
251.11292	0.9
252.04329	0.9
253.01631	0.8
266.02194	2.1
267.02991	35.9
268.00702	1.1
268.03745	20.8
269.00967	3.9
269.04138	2.0
283.06198	4.7
295.02521	18.5
296.03278	31.0
297.00430	10.3
297.03644	2.5
311.05643	100.0
311.22351	1.6
311.29779	1.3
312.02737	4.8
312.06042	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	311.0564
Annotation	Prosogerin A
Peak:m/z	Relative Intensity
51.29510	0.1
55.01884	0.1
59.01387	0.3
61.17345	0.1
62.01638	0.1
63.02393	0.2
65.00330	1.0
65.03963	0.2
68.99817	0.3
69.03453	0.2
69.63206	0.5
75.02432	0.1
77.03975	8.5
78.04311	0.2
79.01900	4.9
80.02225	0.1
81.03465	0.3
83.01400	0.3
85.02913	0.1
85.03416	0.1
87.02402	0.2
89.00339	0.1
89.03988	0.1
91.05550	0.4
93.03469	5.9
94.03801	0.1
95.01408	0.2
95.05049	0.6
97.02953	0.8
103.01914	0.2
105.03468	2.3
107.01405	1.1
108.02241	0.2
109.02968	0.2
117.03481	22.3
118.03806	1.0
119.01450	0.1
119.05036	2.9
120.02187	0.1
121.02968	6.6
122.03279	0.2
123.00887	0.2
123.04528	0.4
125.02467	0.8
125.82364	0.1
130.04283	0.1
131.01401	0.3
131.05066	0.3
133.02974	0.5
134.03749	0.1
135.00905	0.3
135.04539	6.6
136.01697	0.3
136.04880	0.3
137.02464	0.7
141.03572	0.1
143.05060	0.2
145.02979	1.2
146.03700	0.1
147.00899	0.3
147.04546	0.7
148.01648	0.7
149.02457	3.2
150.02795	0.1
151.00395	0.1
155.05067	0.2
156.05827	0.2
158.03789	0.4
159.04535	5.0
160.04858	0.2
161.02461	5.8
162.03120	0.3
163.00401	0.6
163.04021	6.7
164.04349	0.4
165.00591	0.1
165.01950	2.0
166.02361	0.1
167.04988	0.3
168.05771	0.1
169.06584	0.8
171.04584	0.6
171.08186	0.4
172.05275	0.2
173.02460	0.7
173.06067	0.7
175.00391	0.5
176.01196	0.1
180.05843	0.3
181.06557	0.2
182.03728	0.7
182.07367	0.1
183.04535	0.9
183.08156	0.7
184.05109	0.2
185.02409	0.2
185.06018	0.5
187.04030	0.2
187.07669	0.3
189.01912	0.4
190.02701	0.2
190.99867	0.1
191.03539	2.0
192.03860	0.2
193.01485	1.1
193.06618	0.4
194.07469	0.2
195.04550	0.8
195.08217	0.6
196.05318	1.4
197.06097	1.9
198.06450	0.2
199.04024	0.4
200.04822	0.2
201.05663	0.2
203.03529	1.0
208.05240	0.1
209.06133	0.6
210.06883	0.5
211.04083	0.2
211.07654	1.5
212.04724	0.2
212.08154	0.1
213.05586	0.5
215.07130	1.3
217.01479	0.2
221.06129	0.3
223.04089	0.2
224.04785	1.2
225.05585	0.7
226.06067	0.1
227.03564	0.2
227.07135	0.2
237.05602	0.9
238.06360	0.4
239.03415	0.2
239.07130	3.0
240.04312	0.7
240.07436	0.3
241.05017	0.8
242.05605	0.1
243.06624	0.6
253.05052	0.6
254.05836	0.2
255.06615	0.5
264.04190	0.1
265.05081	0.4
267.03027	0.4
267.06598	0.3
268.03772	4.7
269.04254	0.3
281.04611	1.4
282.05380	1.5
283.06134	68.4
284.06476	6.4
293.04593	2.1
294.05008	0.3
296.03143	0.1
309.04242	0.7
311.05624	100.0
312.05963	10.2
314.04410	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
56.25239	1.3
57.03452	3.3
57.88795	1.3
59.01365	5.7
59.49670	1.2
61.27911	1.2
65.67569	1.4
69.03442	1.9
70.66087	2.1
70.66407	1.9
71.01393	1.7
81.03461	4.0
83.01389	8.2
83.05035	4.1
86.64716	1.2
93.03472	1.5
93.66822	1.2
97.02964	1.9
97.06582	5.1
98.03771	1.9
99.00896	1.9
109.06566	1.8
123.04494	3.1
123.08210	6.0
125.06071	2.1
125.09732	10.0
127.11282	1.4
135.08223	1.5
137.09717	2.0
139.11308	12.8
141.09225	1.3
149.09727	1.6
151.04021	3.9
151.07617	7.2
152.08400	5.5
163.11345	9.0
165.12871	16.6
165.54930	1.0
167.10747	4.7
168.11494	2.0
171.10217	4.5
179.14429	1.7
180.11479	1.6
181.12384	4.5
183.13921	1.5
185.11794	2.4
191.10709	2.6
193.16048	7.1
197.11871	1.5
207.10332	1.7
209.11847	55.6
209.15350	10.0
210.12183	4.1
211.13272	1.4
219.17413	1.6
247.20692	16.7
251.07352	1.3
265.18213	1.7
265.21664	3.9
273.18597	4.6
276.65399	1.4
291.19687	100.0
292.19992	11.2
308.74466	1.4
309.17032	13.1
309.20706	38.7
310.21005	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	310.0935
Annotation	Taxiphyllin
Peak:m/z	Relative Intensity
52.87808	3.2
54.83068	3.0
59.01384	71.8
71.01391	46.9
71.54256	3.9
72.99320	7.2
73.02958	13.6
75.00885	7.0
80.55826	2.8
83.01403	4.4
85.02955	15.8
87.00871	7.2
89.02457	39.2
92.05068	8.6
95.01403	3.7
101.02458	34.8
102.02805	5.1
113.02450	10.2
116.05083	7.7
117.03439	4.0
118.03014	6.9
119.03488	11.9
119.05052	21.5
120.04568	11.6
121.02998	3.4
123.04525	4.4
129.01962	3.5
130.04272	3.7
131.03723	6.8
131.05048	16.4
132.04570	10.9
134.06195	3.7
135.04518	7.8
137.02415	6.7
142.14430	2.8
143.03435	3.2
144.04544	13.8
145.01399	3.4
146.02493	71.5
147.03288	69.8
148.04063	18.7
149.04402	3.1
149.06113	20.4
158.06131	3.3
160.04056	94.4
161.04480	6.2
162.03275	3.9
162.05606	8.5
163.04039	21.1
164.04346	6.1
165.04068	13.1
172.04091	8.8
174.05615	18.0
179.02248	12.6
179.03601	3.8
186.05615	5.1
190.05170	4.6
202.05125	27.4
214.05022	7.1
214.55032	2.9
232.06223	4.8
296.03226	3.6
310.09366	100.0
311.09604	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06207	1.8
54.13693	1.7
57.03460	3.5
59.01377	8.4
67.05152	1.9
69.13675	1.6
69.26772	1.6
71.05046	1.8
71.54641	1.7
73.57652	1.8
76.90375	1.8
80.02676	12.9
81.03459	6.4
83.05035	33.0
84.02176	14.7
93.03461	1.8
95.05049	3.8
96.95985	2.6
97.06599	5.8
99.08174	8.9
109.06597	3.6
111.08140	3.8
113.09706	3.3
115.07651	5.9
119.05006	2.3
123.08178	3.3
125.09727	7.7
126.01180	2.9
127.11275	5.0
135.08112	2.2
137.09737	65.6
139.11314	17.0
151.04027	5.3
151.07658	12.4
151.11305	3.2
152.08405	7.9
153.08055	1.5
153.09196	10.1
154.00630	6.5
155.10797	65.6
156.00336	5.0
156.11119	2.8
163.11296	2.5
165.12854	1.9
167.10707	3.5
169.12280	2.0
171.10286	77.4
172.10567	3.3
179.38454	1.8
183.13809	2.8
193.12347	30.2
195.13870	2.4
197.11914	2.3
209.11794	6.6
209.15526	15.1
210.15805	2.2
211.13400	8.8
214.98262	2.0
219.17552	1.7
221.11768	1.8
247.16948	2.6
247.20668	8.7
252.10013	2.4
263.20114	8.8
265.18045	3.7
265.21793	6.4
273.18668	2.3
283.72528	1.8
291.19684	92.5
292.20001	9.7
309.17084	22.7
309.20679	100.0
310.17773	2.8
310.21060	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03444	28.5
59.01376	27.6
62.41844	7.7
71.01383	25.1
71.05049	7.5
71.54524	8.4
80.02683	16.0
83.05019	9.5
95.05049	8.5
96.96051	7.6
97.06624	19.0
99.67395	6.6
109.62051	6.7
111.08144	16.8
113.09742	19.1
119.05023	13.9
123.04539	8.5
123.08156	20.9
125.09746	26.0
127.11275	8.1
137.09743	19.7
151.04001	12.7
151.07651	28.1
151.11333	42.0
151.72292	7.1
152.08429	20.1
155.10817	46.4
164.80270	7.0
165.12878	51.8
167.10764	10.0
171.10271	93.1
179.10760	12.0
181.12354	37.7
185.11858	91.3
191.10754	23.7
194.97571	6.7
197.11801	11.6
209.11874	100.0
209.15446	44.4
211.13394	9.7
247.20721	16.0
263.20129	8.5
265.21735	11.3
273.18338	8.1
281.21173	20.8
291.19586	68.7
309.11261	25.5
309.17059	65.4
309.20728	70.8
310.21103	17.2
319.02734	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	309.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66695	1.4
57.03446	3.0
59.01379	3.8
59.48018	1.5
69.03443	2.4
71.05017	2.3
71.13998	2.9
80.02689	12.3
81.03453	4.6
83.05035	31.0
84.02185	12.4
95.05096	1.5
97.06602	4.5
99.08155	7.9
109.06592	3.5
111.08182	1.7
113.09712	4.0
115.07645	5.2
119.05033	2.5
119.08656	1.7
123.04528	2.9
123.08153	2.1
125.09774	8.2
127.11279	5.5
137.09738	49.1
137.76436	1.4
138.10054	2.7
139.07547	1.3
139.11308	9.7
142.02707	1.4
151.04010	1.9
151.07689	4.0
151.11269	6.1
152.08443	4.6
153.09200	8.7
153.12885	2.2
155.10796	54.7
156.11058	1.6
165.12897	2.9
167.10768	4.8
171.10294	52.1
172.10596	2.3
193.12340	29.5
194.12717	1.7
195.13885	2.1
197.11757	2.3
209.11778	6.3
209.15443	5.2
211.13321	5.2
247.20692	9.0
263.20230	7.2
265.21777	8.8
273.18677	2.2
281.21289	1.5
291.19699	100.0
292.20053	10.5
294.08942	1.6
309.11407	3.0
309.17047	7.8
309.20691	83.8
310.20938	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96812	0.8
54.99482	1.0
57.03442	1.2
59.01385	1.5
66.64620	0.9
81.03487	1.5
83.05032	3.8
95.05063	1.8
96.96016	4.3
97.06607	11.3
109.06551	1.3
111.08167	9.2
147.11839	1.8
151.07684	1.5
152.08508	1.8
156.49380	0.9
163.11298	3.9
165.12862	100.0
166.13188	6.3
183.13921	47.3
184.14325	1.1
192.74022	1.1
209.11926	4.7
209.15485	2.6
227.12868	1.7
265.21732	1.2
309.17233	8.0
309.20804	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	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94610	1.5
57.03449	3.5
59.01370	2.7
65.41350	1.3
69.03471	6.7
69.93577	2.5
69.93991	4.8
74.18544	1.3
83.05065	2.1
97.06568	2.3
107.08671	2.1
111.08141	5.5
119.08669	13.2
125.09718	7.7
127.11255	2.5
135.08180	2.7
137.09738	34.1
149.09761	1.6
151.04016	3.7
151.07648	4.5
151.11305	2.9
152.08418	4.9
153.09158	1.9
155.10812	2.6
162.10432	1.7
167.10783	3.9
168.11102	1.5
169.12503	1.4
171.10284	100.0
172.10590	5.7
183.10231	6.3
185.11850	25.5
195.10313	1.9
197.11868	15.7
201.11375	6.7
209.15428	10.4
211.13351	3.7
213.11301	8.7
219.17523	1.6
229.19562	3.2
247.16850	1.5
247.20732	2.4
252.09958	1.6
263.20328	1.5
265.18005	2.2
273.18674	8.7
291.19672	38.8
292.20013	5.9
309.17059	17.3
309.20691	40.2
310.20972	3.0
321.20013	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
51.16541	0.7
53.20625	0.8
57.03469	1.0
59.01374	1.5
67.73228	1.0
69.88380	4.0
80.63347	0.8
83.05024	0.9
86.32523	0.8
97.06578	2.4
111.08140	1.5
113.09749	2.6
115.07642	1.7
115.30226	0.8
125.06046	1.3
141.09201	2.4
151.11340	1.4
152.08421	0.9
155.10648	0.8
165.12888	4.8
167.14392	2.1
181.12430	4.0
183.13985	1.0
193.12390	2.4
195.13881	3.6
196.23973	0.8
211.13390	5.6
221.15501	1.3
225.43288	0.9
240.13708	1.7
241.14520	1.1
247.20737	5.6
248.71817	0.9
263.20093	1.4
273.18582	3.0
281.21317	1.6
291.19705	51.2
292.19986	4.6
309.20740	100.0
310.21161	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	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58303	0.7
56.74558	0.7
57.03458	4.3
57.03687	0.7
58.45617	0.7
59.01374	2.8
60.64327	0.7
61.31253	0.7
69.03455	4.3
69.03796	0.8
70.98452	0.7
71.23979	0.8
83.05042	1.7
97.06631	1.3
98.19884	2.1
109.06609	0.9
111.08183	10.7
151.07640	2.2
152.08488	1.0
156.55701	0.8
163.11343	1.8
165.12865	100.0
166.13225	5.8
172.14760	0.8
181.12288	2.1
183.13921	5.8
189.76645	0.8
191.10753	3.1
209.11844	6.8
209.15454	2.9
221.15421	2.5
226.50047	0.8
227.12862	1.8
265.17917	1.2
277.69208	0.8
281.17523	2.5
291.19662	1.3
309.17117	6.2
309.20670	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	309.2075
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
59.01381	2.6
69.03466	2.5
83.05010	1.3
84.02167	1.2
99.58543	1.3
109.06633	1.5
111.08174	30.3
125.09743	1.2
127.07654	3.4
137.09732	2.7
151.11281	1.6
152.08353	1.3
153.12846	1.3
169.12326	5.5
170.75522	1.1
171.10286	4.1
181.12387	2.7
183.13893	2.3
193.12437	2.1
197.11853	100.0
198.12195	6.9
199.13383	5.5
209.15442	2.9
211.13402	11.0
216.00586	1.2
225.15024	1.9
227.12852	2.2
263.20096	6.7
265.18182	2.8
273.18463	1.2
291.19675	20.2
292.20020	2.2
309.17081	3.5
309.20688	36.4
310.21072	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	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.2
59.01391	7.1
67.01923	1.9
67.68556	1.1
70.94643	2.2
96.96034	1.6
97.02972	3.9
111.08187	1.4
119.05044	1.7
121.10264	9.6
125.09736	7.2
129.74733	1.1
137.09755	4.7
171.10295	9.3
174.67490	1.4
185.11845	8.3
197.11859	4.6
209.11844	1.7
211.13411	59.7
212.13737	5.0
223.13434	1.4
225.27258	1.3
247.20743	1.4
291.19693	100.0
292.19983	7.8
296.93237	1.1
309.17203	2.2
309.20682	16.1
310.11673	1.2
310.20996	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	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88168	1.4
59.01388	3.3
70.83475	1.7
70.83792	2.3
71.05013	2.2
71.22945	1.4
78.62645	1.3
92.93516	1.4
109.06575	2.8
111.08169	37.8
121.37180	1.4
125.09793	1.7
127.07664	1.8
134.48103	1.5
137.09691	3.0
151.04022	2.5
151.07504	1.8
151.11348	2.1
152.08455	3.2
169.12311	8.7
171.10297	4.3
181.12363	2.5
183.13959	1.6
197.11865	100.0
198.12218	5.7
199.13448	4.7
209.15520	8.0
211.13490	10.2
227.12920	3.2
233.15576	2.0
240.82443	1.6
251.16341	2.1
263.20166	3.1
265.18051	4.5
273.18753	2.6
291.19724	25.0
292.20016	2.3
309.17056	3.7
309.20676	39.6
309.87411	1.5
310.21152	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	309.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94397	0.9
55.22933	1.0
57.00238	1.1
57.03437	1.9
72.64830	1.1
74.54063	1.1
83.05061	1.3
84.02135	1.1
95.01408	2.8
97.02961	3.7
98.20674	2.9
99.00891	7.8
111.00912	1.7
111.08167	4.9
119.08704	2.7
123.00901	1.6
123.08161	1.3
125.09716	1.6
137.09735	4.1
141.12839	1.5
151.04018	22.8
151.07668	37.4
151.11340	1.0
152.04419	1.7
152.08447	44.9
152.64136	1.1
153.09024	2.4
153.12869	1.4
157.69931	1.1
162.10489	2.3
163.11336	3.7
165.12878	6.2
166.04544	1.1
171.10246	8.6
175.07555	1.4
179.14388	3.1
181.12360	2.5
184.07484	6.6
185.11844	2.7
189.12878	1.7
190.09998	2.9
193.08728	3.2
193.15887	1.7
197.11829	15.6
208.11136	5.1
209.15485	69.2
210.15860	3.6
211.13399	2.4
223.13377	3.0
247.16983	3.7
247.20691	6.5
252.10101	10.1
253.10645	1.3
257.34088	1.2
263.20151	1.4
265.18073	13.7
266.18311	1.4
273.18558	2.4
291.16458	3.6
291.19678	78.5
292.19965	7.1
309.17075	100.0
309.20724	73.0
310.17401	10.0
310.21118	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	309.2075
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
53.81540	1.7
56.11715	1.2
57.03447	4.3
59.01387	7.4
61.98851	1.2
65.70183	1.3
67.15155	1.3
68.73683	1.4
71.05028	26.1
93.34248	1.3
95.05051	2.3
96.96028	2.7
97.06599	7.1
104.30196	1.3
109.06625	2.0
111.08174	2.2
121.10223	7.5
123.08131	2.9
125.09713	6.3
127.11304	1.4
135.08162	1.8
137.09744	32.4
138.10080	2.6
140.04018	1.3
141.12846	2.6
151.07645	1.8
151.41838	1.3
153.31947	1.3
157.18982	1.4
171.10287	79.8
172.10597	4.1
181.12282	1.8
185.11807	11.6
195.13910	2.1
197.11940	4.6
207.13873	2.1
211.13350	1.8
217.15875	1.9
219.13853	3.1
233.15663	2.3
235.17030	2.5
237.14960	4.6
239.16579	3.3
247.20718	2.2
251.16536	30.2
269.29202	1.4
273.18637	3.0
283.26971	1.4
291.19693	87.0
292.20151	8.6
309.20740	100.0
310.21054	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1191
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
50.61658	0.9
57.03448	1.5
58.00593	2.7
59.01385	85.8
60.01748	1.2
62.37406	0.9
71.01388	41.6
71.07759	2.0
72.99320	7.0
73.02956	4.0
78.95923	1.6
83.01406	3.0
85.02951	14.4
87.00919	1.9
89.02454	39.2
95.01406	2.5
99.00888	2.2
101.02449	35.1
101.06090	1.3
102.02795	1.0
107.27196	1.0
111.04518	1.9
113.02459	17.2
117.03425	2.1
119.03513	16.6
119.04987	5.8
121.02973	1.7
123.04529	1.2
125.02428	1.3
128.46774	1.0
129.01964	5.4
129.05603	15.5
131.03525	1.1
143.03424	1.6
147.02985	1.4
147.06627	4.4
161.04561	3.5
162.03333	1.3
163.02664	2.0
163.04030	6.7
179.05598	1.8
309.11926	100.0
310.12302	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	309.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.8
57.03455	1.6
58.00596	2.5
59.01385	78.9
60.01724	1.0
70.44924	1.9
70.45292	1.8
71.01388	44.2
72.99326	5.4
72.99657	0.9
73.02954	4.2
75.00878	1.7
78.95905	1.0
83.01391	2.6
85.02956	13.7
87.00890	1.2
89.02453	45.1
90.02783	1.6
95.01386	3.3
99.00876	1.3
101.02450	31.5
102.02762	1.0
113.02465	18.7
117.03492	0.9
119.03518	23.1
119.05029	3.5
121.02943	1.4
125.02527	1.3
128.03571	1.1
129.01944	3.1
129.05598	3.5
129.81038	0.9
131.03513	1.8
143.03459	2.6
147.02986	1.7
147.06638	1.2
149.04527	1.7
150.43185	1.0
161.04654	1.4
163.02589	1.5
163.03999	4.2
179.05594	2.9
194.72990	1.1
309.11923	100.0
310.12286	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	309.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02990	2.3
59.01388	1.5
70.02985	8.0
71.01390	0.8
71.02522	2.7
71.53351	0.8
72.00912	2.6
82.03025	0.5
87.05672	0.8
95.02521	6.3
96.00931	3.1
99.80540	0.4
101.02448	0.5
104.59242	0.3
109.22858	0.4
111.01994	2.7
113.03587	37.3
113.09703	0.6
114.01981	25.8
115.02348	0.4
119.05059	0.9
131.04639	100.0
132.05031	2.0
141.09238	0.5
152.91782	0.4
165.12810	0.5
181.12326	0.5
194.15540	0.5
211.13332	0.6
246.82690	0.4
247.21014	0.5
291.17126	5.5
291.19821	5.8
292.19934	0.7
309.11127	0.7
309.18048	4.9
309.20813	14.0
310.21252	1.6
327.61948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.2
62.27594	1.8
64.82256	1.4
69.54498	11.4
71.01389	28.6
71.16384	1.6
84.02191	2.1
84.04522	2.2
85.02956	5.0
88.04046	2.7
98.19924	2.0
101.02465	1.6
108.02213	2.5
110.62010	1.6
114.01984	46.1
114.99563	2.9
115.00385	40.9
115.02242	1.7
117.03452	3.7
120.01250	1.7
121.02876	1.6
123.04525	6.3
132.02139	3.1
132.03043	23.6
134.03755	100.0
135.04039	2.4
149.06090	79.0
150.06441	3.1
160.01666	5.9
161.02444	3.9
162.03230	5.5
163.04045	2.4
175.04015	5.8
175.24048	1.4
176.03511	2.3
176.07155	5.2
177.05594	6.4
177.07965	3.2
187.06464	2.9
192.06671	37.7
193.05077	44.6
193.06836	3.7
194.05423	2.1
202.32655	1.6
220.09854	3.9
224.02873	1.4
240.50746	1.7
246.07730	14.8
264.08817	11.7
283.89957	1.6
301.96927	1.5
306.02676	1.9
308.07779	91.6
309.07956	7.9
309.13345	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	308.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61619	0.3
59.01377	0.3
62.09427	0.3
71.54249	0.4
71.54598	0.3
73.34644	0.3
128.10799	0.4
130.08752	100.0
131.09093	3.3
151.07623	0.4
209.15479	0.4
247.20602	0.5
291.19818	0.3
308.22336	11.9
309.17413	0.5
309.22644	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.7
57.03456	10.6
58.00594	0.8
59.01389	12.9
68.99806	0.6
69.57326	3.5
71.01396	8.2
72.99316	2.2
73.02953	10.7
74.03270	0.5
77.57772	0.5
80.96536	0.5
83.01410	3.5
84.02179	2.0
85.02963	100.0
85.44832	0.4
86.03294	2.3
89.02453	3.6
90.72559	0.5
99.00903	1.6
101.02457	10.8
103.00381	1.6
103.43610	0.5
108.25868	0.5
113.02462	1.6
117.03504	0.8
119.03540	1.9
119.05043	8.0
121.02982	0.9
127.00311	0.5
129.01959	0.7
133.02966	7.7
134.03470	0.6
135.04524	2.7
142.37895	0.5
145.01437	2.0
145.02992	0.7
147.03020	48.8
148.03383	0.8
161.01134	1.1
161.02473	21.2
161.04504	0.9
162.02864	1.0
163.02542	2.1
163.04037	10.0
177.05556	0.9
179.03484	1.5
203.07065	0.9
205.05019	0.6
208.46298	0.6
229.05098	0.9
261.20599	0.5
309.06302	4.1
309.11954	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	307.1919
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
57.03446	5.7
59.01374	9.0
60.46230	2.1
69.03468	5.4
70.04140	2.5
70.94940	2.5
70.95267	4.8
71.01380	9.2
78.62907	2.4
80.02665	2.5
83.05026	5.0
97.06617	16.6
107.04962	2.7
109.06580	4.2
111.08146	6.5
121.02959	3.0
123.08120	2.4
124.27226	2.4
125.09766	6.0
134.77806	1.9
135.02629	2.3
137.06024	2.0
137.09673	3.1
149.09738	4.4
151.11279	18.4
153.09198	2.4
155.10782	12.0
163.11305	6.4
165.12845	20.5
167.10736	2.3
169.12413	4.5
177.12845	5.0
179.10789	5.6
181.12315	23.3
191.10750	9.3
191.14432	9.9
205.12383	4.5
209.11847	41.4
210.12323	2.3
211.13411	6.4
239.09286	4.4
245.19112	35.3
261.18619	2.6
263.20175	13.4
271.16876	2.5
279.19806	3.0
289.18097	42.7
290.18536	5.3
307.19165	100.0
308.19507	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	307.2283
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
59.01355	0.4
63.33408	0.3
66.24967	0.3
69.62099	1.4
78.15543	0.3
80.78230	0.3
88.53773	0.3
95.70656	0.3
98.06094	0.4
98.19909	0.6
125.02287	0.3
132.16183	0.3
169.38724	0.3
307.22815	100.0
308.23160	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	308.078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66895	0.3
59.01387	1.8
69.57994	2.6
70.02982	0.6
71.01396	5.2
72.00922	0.7
85.02965	1.2
88.04053	28.2
114.01980	5.1
115.00391	11.5
116.00748	0.5
119.05028	0.5
126.42120	0.4
132.03047	100.0
133.03413	2.3
134.03761	11.2
135.04536	0.9
146.04654	0.4
147.03032	0.9
147.22322	0.4
149.06107	4.1
155.14003	0.4
160.01703	1.8
161.02348	0.4
175.04037	1.5
192.06737	1.2
193.05098	3.5
204.06686	0.5
220.09782	0.4
238.41747	0.4
246.07654	0.6
247.93059	0.4
264.08884	0.9
308.07803	8.3
308.14328	0.7
309.08701	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21946	3.9
57.03446	14.0
59.01381	28.1
60.40821	5.0
65.52588	4.2
65.60715	4.4
65.72918	4.1
69.03438	4.7
69.71996	3.5
70.42901	3.9
71.01383	14.7
71.24651	7.3
73.02950	4.2
75.79317	4.3
78.03672	4.0
79.95747	16.0
80.96534	5.8
83.01368	4.2
83.05041	29.9
87.00880	15.0
89.75993	4.0
95.04999	4.5
97.06625	19.5
101.02394	5.4
107.08680	4.4
109.06586	6.7
111.00938	3.9
111.08167	13.6
121.06570	10.5
123.08153	7.1
125.09719	15.4
135.08162	6.3
148.68680	4.8
149.09787	5.5
151.11269	27.7
153.09184	13.6
155.10771	13.0
163.11311	7.5
165.12868	30.0
167.10806	7.8
171.10306	24.4
179.10811	10.1
181.12367	26.2
185.11848	31.5
190.08199	3.9
191.10793	10.7
191.14447	9.5
197.11867	4.9
203.14467	14.9
209.11827	54.9
211.13466	8.9
212.42439	4.5
224.10507	5.2
226.12099	4.6
228.62645	4.3
245.19113	91.4
246.19513	7.5
261.18665	6.4
263.20212	16.7
271.16922	4.4
279.19623	6.0
289.18112	53.7
290.18454	6.9
304.40173	4.3
307.19144	100.0
308.19202	35.7
326.22336	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	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.3
59.01366	5.4
67.01901	2.2
69.03447	2.1
69.22185	14.2
71.01377	1.7
72.07574	1.4
76.27589	1.5
79.95741	1.7
80.02688	2.2
81.03459	4.6
83.01392	5.5
83.05041	3.9
93.03455	1.8
95.05042	3.5
97.02984	7.0
97.06606	9.5
106.04272	1.6
107.05058	1.9
109.03017	1.4
109.06587	2.4
119.05035	5.3
119.08660	2.3
121.06647	2.7
123.04536	9.1
123.08158	3.8
125.09743	17.5
135.08185	4.0
137.06050	1.9
137.09732	11.2
141.12869	2.5
142.02724	2.0
151.11276	2.8
161.04721	2.0
161.09793	1.9
163.07620	2.3
163.11305	18.0
165.12862	3.9
171.10333	2.3
181.12349	4.6
185.11867	23.0
186.12210	2.1
191.10774	3.3
191.14455	20.8
207.10323	11.6
209.11879	32.2
210.12192	2.0
211.13370	2.7
225.11377	10.9
227.18124	1.7
231.46471	1.8
233.15424	1.8
245.19142	44.6
246.19405	5.1
247.17119	2.2
263.20135	3.8
265.92911	1.5
271.17093	5.2
280.14069	1.6
289.18137	100.0
290.18503	10.6
307.15695	2.9
307.19186	49.2
308.19434	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Soraphen O
Peak:m/z	Relative Intensity
54.35408	0.7
55.17215	0.5
56.84281	0.6
57.02011	0.6
59.01390	5.5
61.98825	0.7
65.93726	0.6
69.03442	0.7
71.01377	1.8
71.05024	5.8
80.02688	1.3
81.03465	1.3
83.05030	2.0
85.02953	1.0
91.67261	0.6
95.05020	2.1
96.96014	0.7
97.06583	0.9
98.03744	1.3
98.19913	1.7
101.02435	1.3
106.04248	1.4
109.02995	0.6
109.06607	14.1
110.06934	0.6
111.04543	6.6
111.08128	1.4
112.05289	0.8
121.03052	0.6
123.04612	0.7
123.08166	2.3
124.78995	0.5
127.07664	3.3
129.09187	0.7
135.08163	0.7
137.06039	0.9
137.09727	1.0
143.10802	2.3
145.06592	2.1
149.06102	1.0
149.09705	1.3
151.11269	0.9
160.31592	0.6
167.10733	2.5
171.73917	0.5
179.10793	1.8
191.14386	0.7
195.13875	3.6
201.00012	0.7
235.13403	1.6
245.19099	6.2
246.88419	1.0
247.13385	2.0
249.14966	1.0
251.16539	1.2
261.18677	1.1
271.16937	1.7
273.14883	0.8
287.16574	2.4
289.18124	100.0
290.18484	9.5
307.15613	2.2
307.19156	12.9
308.19492	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18390	0.3
59.01380	0.5
59.96715	0.5
64.70207	0.3
69.53824	0.3
74.99087	6.4
91.02232	2.6
93.00147	1.2
96.59622	0.3
118.95533	0.3
131.03947	0.3
143.05367	0.4
149.00969	2.6
159.08488	7.8
161.06412	1.9
167.77705	0.3
192.98177	0.6
193.42047	0.3
206.99776	1.4
209.01291	3.0
217.07251	0.8
223.02859	48.7
224.02916	4.1
225.00604	0.3
253.04724	0.3
275.05966	0.5
289.07559	2.1
291.09134	100.0
292.09253	11.6
307.12274	2.5
307.19257	0.4
307.22656	0.3
309.10110	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1344
Annotation	Ovalifoliolatin B
Peak:m/z	Relative Intensity
51.66467	0.6
52.40691	0.7
59.01374	2.1
71.01363	1.4
71.54560	0.8
91.01923	1.0
95.01378	0.7
101.39238	0.6
108.02205	1.3
108.29102	0.6
121.02955	2.2
123.00915	0.9
126.84566	0.6
135.04460	0.8
136.01660	7.4
145.02975	5.2
157.06577	1.5
159.04527	0.7
159.08167	4.5
161.02446	1.7
161.04488	0.9
169.90105	0.6
171.08154	1.2
175.03966	0.8
179.03468	0.7
179.74445	0.6
187.03990	2.0
188.04790	1.7
203.07135	4.8
210.06836	0.6
216.07870	0.6
221.08228	2.0
224.08064	0.6
235.07814	0.7
237.33514	0.7
251.07170	2.7
252.07877	1.0
263.07190	3.8
264.07837	0.9
265.12308	4.7
307.13409	100.0
308.13739	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.9
59.01389	6.9
66.01311	1.2
69.03460	1.7
71.01404	2.2
71.54816	1.5
81.03439	2.5
83.01404	3.2
83.05023	1.5
85.02956	1.4
93.03457	2.5
95.05042	3.6
97.02962	3.8
97.06580	6.7
101.02451	2.1
109.06612	1.8
110.03815	1.5
115.23314	1.4
117.03448	1.5
119.05037	89.6
121.02960	2.9
121.06580	3.7
123.04554	9.1
123.08163	13.9
125.09738	8.6
126.31500	1.5
135.04533	1.7
135.08192	2.4
135.82538	1.3
137.09700	7.3
139.11319	5.0
142.02766	3.0
143.05075	2.4
145.02979	22.2
145.06610	1.9
149.06079	4.7
151.11317	2.8
159.04512	2.1
161.04628	1.8
163.11285	8.1
171.10316	1.6
176.04784	1.9
177.12859	1.6
179.10799	2.5
181.12413	1.9
185.11823	11.0
187.04062	6.2
188.04822	7.2
191.10793	2.5
191.14442	10.5
199.13399	14.4
200.13774	1.7
201.05583	3.7
202.06340	3.7
207.10283	4.1
209.11879	13.9
217.16061	1.5
225.11346	6.5
234.05338	5.9
245.19101	30.4
246.19492	2.6
247.17032	2.3
263.20172	1.6
266.05893	1.7
271.17108	4.9
277.05078	3.2
278.05823	1.8
279.06677	25.8
289.18118	100.0
290.18478	10.9
291.06235	1.4
307.09830	25.1
307.19196	85.8
308.10471	7.4
308.19550	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	307.0844
Annotation	CHEBI:91169
Peak:m/z	Relative Intensity
57.03437	2.0
59.01385	2.9
61.01024	16.9
63.34572	0.7
64.14513	0.8
70.68932	1.1
70.69264	1.6
71.01372	2.2
71.09765	0.7
73.02966	1.3
76.79797	0.7
78.95912	1.4
80.32930	0.9
85.02962	2.5
87.00856	0.8
87.04531	1.7
87.72957	0.7
89.02460	3.5
96.96961	1.9
101.02464	3.2
113.02472	0.9
113.04179	2.5
115.02103	17.3
115.81582	0.8
129.03636	1.5
149.04610	4.1
156.03548	0.9
157.03156	36.6
158.03514	1.1
175.04207	37.1
245.08432	1.5
247.06331	1.5
294.42529	0.8
307.08463	100.0
308.08875	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75875	2.4
58.56535	2.3
59.01390	3.7
69.50254	7.7
69.50667	8.4
71.01386	4.3
72.04565	21.7
85.02983	4.2
87.05656	14.6
88.04047	16.7
91.05527	11.3
97.04101	5.0
99.05677	4.5
100.04057	100.0
109.04082	2.4
109.56179	2.0
115.05149	79.8
117.27187	2.2
118.06668	3.9
135.04536	4.7
144.03041	47.6
147.04478	6.7
164.07176	3.5
174.05583	3.6
176.07126	13.1
179.03633	3.0
187.07573	3.3
189.06732	3.7
201.10300	11.0
219.11584	2.8
220.06169	2.8
235.10919	46.2
236.11397	3.5
245.09283	21.0
246.09775	3.4
256.90268	2.6
263.10388	10.6
263.12881	2.8
271.15524	5.2
272.16052	2.7
307.09229	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	307.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42590	0.3
56.08007	0.4
59.01381	1.3
66.62511	0.4
70.09008	0.7
70.09403	1.0
71.01395	0.7
74.99088	6.8
91.02226	2.7
91.70971	0.4
93.00150	2.2
98.20600	0.7
102.70773	0.5
115.85447	0.5
130.04802	0.4
135.28667	0.4
145.53912	0.5
149.00952	3.0
159.08488	7.4
161.06441	1.8
192.98128	0.7
206.99738	1.8
209.01297	2.6
215.81691	0.4
217.07196	1.1
223.02861	51.5
224.02878	5.0
241.03885	1.1
262.98578	0.5
275.05984	0.5
284.87201	0.4
289.07568	1.8
291.09131	100.0
292.09247	13.4
307.12228	3.1
307.19373	0.6
309.10211	0.7
315.34119	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81923	0.4
59.01381	2.6
61.98836	100.0
62.98539	0.7
63.99263	1.4
67.85707	0.5
71.01393	0.6
71.52966	0.8
86.67486	0.5
98.75680	0.5
116.59801	0.4
120.97362	0.4
121.02962	2.2
134.97099	1.4
136.93993	0.8
136.96756	2.2
146.95160	0.6
160.26395	0.5
161.98999	1.9
162.96603	1.2
162.99109	2.6
163.98671	4.0
164.96393	45.6
165.01962	2.0
165.92383	0.8
165.96561	4.0
176.98122	1.3
178.95116	1.2
178.97806	0.6
184.20265	0.4
205.00247	0.7
205.99760	0.7
206.97458	16.7
207.97620	1.2
214.74353	0.5
243.95024	0.5
306.97339	11.2
307.00339	3.1
307.10388	0.5
307.97791	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19418	1.7
53.12831	1.5
53.57174	1.5
57.03452	2.5
59.01386	8.5
62.11375	1.5
63.02128	1.8
69.64686	11.1
69.74548	1.7
71.01384	6.7
72.90101	1.5
72.99289	2.7
73.02894	1.7
75.03312	1.7
76.34496	1.5
81.54426	1.7
83.01405	2.7
85.02956	24.8
86.03269	1.7
99.00863	3.8
101.02467	1.9
109.02968	2.4
112.98851	9.9
113.02467	2.6
115.00387	3.6
120.01277	3.2
128.88853	1.6
129.01993	2.8
134.03841	1.9
135.02969	2.5
135.04555	1.9
142.99858	6.4
145.02971	7.7
149.06075	3.2
153.05608	2.2
167.07124	4.5
173.00938	9.4
174.01709	100.0
175.02312	2.9
180.03412	2.1
191.01965	3.5
193.05069	5.0
271.08270	11.1
307.06131	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	305.1761
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03455	19.4
57.96046	0.3
58.03785	0.4
59.01382	1.3
59.98523	0.4
65.00332	17.6
66.00667	0.4
66.12860	0.3
68.43456	0.3
69.59434	0.8
69.59838	1.6
79.05547	1.6
81.03461	3.8
83.01396	8.5
84.59711	0.3
86.65556	0.3
109.03022	0.4
123.04539	19.2
124.04894	0.6
125.02460	100.0
126.02782	2.8
134.22499	0.4
136.24506	0.3
137.02568	0.4
141.01718	0.8
158.08879	0.3
158.50227	0.3
195.17474	0.4
219.17508	0.8
248.41206	0.3
261.18683	2.0
263.16525	0.9
305.06845	0.5
305.17624	20.6
306.17978	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	305.1762
Annotation	Corrin
Peak:m/z	Relative Intensity
53.99589	1.2
57.03452	2.0
57.40922	1.3
59.01390	12.6
68.32079	1.3
69.03473	1.9
71.01393	2.4
71.05025	29.1
71.54099	2.1
73.02905	1.5
74.70390	1.3
81.03471	4.8
93.03474	3.0
95.05036	15.3
95.31894	1.3
104.88350	1.4
106.04252	1.8
108.02170	3.2
109.02952	3.8
109.06597	16.7
111.04561	1.7
111.53256	1.3
119.05044	1.9
121.06607	5.4
122.03658	1.5
123.08105	1.6
125.02444	4.4
125.06167	1.8
125.09692	1.7
135.08136	4.8
141.01707	4.3
147.04436	1.6
147.08171	2.3
149.09734	1.4
150.06837	1.9
161.06084	2.2
161.09747	2.1
165.01945	2.2
165.09221	9.4
189.12854	12.9
205.15988	6.8
231.14041	2.1
233.11888	6.7
243.17509	12.4
249.14966	10.4
261.18552	4.9
263.16589	1.5
269.15436	1.6
287.16574	68.7
288.16989	7.6
305.17599	100.0
306.17883	10.8
326.53214	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2489
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
53.98793	0.7
59.01366	1.2
59.41635	0.7
66.77334	0.7
70.60290	2.3
126.88931	0.8
141.01659	0.9
145.03062	0.8
190.20955	0.9
305.24875	100.0
306.25201	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	305.1398
Annotation	Crassinervic acid
Peak:m/z	Relative Intensity
59.01369	3.6
62.01955	1.1
67.01894	20.2
69.64725	3.3
69.65141	3.4
69.75101	1.2
79.53204	1.2
85.02958	1.6
91.05544	15.8
93.03455	2.9
101.02473	1.2
109.02944	2.5
117.03480	29.4
118.03807	1.2
121.02965	36.1
122.03794	3.0
125.02479	3.2
133.02919	3.0
134.03775	1.2
135.04543	43.4
136.04892	1.5
137.02478	1.5
149.02530	1.3
156.05820	2.6
157.06595	5.4
159.04510	3.3
161.02455	29.0
165.01944	35.4
171.04581	2.9
173.06085	1.7
179.03517	91.3
180.03819	4.0
203.03641	1.5
225.12869	3.5
243.13904	6.3
261.14963	2.5
269.11829	22.8
270.12296	1.8
287.12906	47.8
288.13239	4.9
305.13986	100.0
305.17151	3.6
306.14273	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	305.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.0
58.74749	1.9
59.01385	100.0
60.01700	2.6
69.77895	1.5
71.01389	7.2
71.54685	1.9
72.99368	1.6
73.02949	2.7
82.44949	1.7
83.01395	1.7
85.02950	5.3
99.00851	1.9
101.02431	5.0
109.02980	2.5
111.00917	1.8
113.02522	3.6
119.05082	2.2
121.02987	2.1
125.02461	13.4
137.02448	3.7
163.04044	3.7
165.01894	3.5
165.10352	2.4
167.03481	2.9
179.03510	2.7
193.98904	2.1
209.28674	1.7
219.06578	2.0
219.32475	1.7
225.12494	1.9
237.12392	1.6
239.13014	2.0
261.07629	2.3
263.14969	5.2
305.06696	8.6
305.10181	4.0
305.14008	2.0
305.17462	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	305.1759
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03439	2.3
59.01383	10.5
65.03967	2.7
65.85667	1.8
70.37202	1.6
70.66361	5.8
71.01371	2.5
71.05020	7.2
72.16914	1.7
72.57919	1.6
79.05549	10.7
83.59946	1.5
85.02956	1.7
92.55632	1.9
93.03476	2.4
95.05044	2.0
97.06602	17.7
101.02467	2.8
106.04264	8.9
107.05049	4.0
109.06590	4.3
120.05823	5.4
121.06602	4.7
123.08170	6.2
125.02423	5.4
125.09742	20.1
134.23689	2.0
135.08182	100.0
136.08482	6.7
137.02538	2.4
141.01727	4.1
151.11298	2.4
161.06160	2.4
177.12863	3.6
185.11790	2.4
189.12799	3.2
205.15944	6.5
207.10211	2.1
209.11815	2.7
249.14983	45.2
250.15149	4.0
263.16690	2.5
287.16489	5.8
305.14285	2.8
305.17569	73.4
306.18015	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	305.0669
Annotation	(-)-Gallocatechin
Peak:m/z	Relative Intensity
52.07299	0.8
55.03244	0.8
57.03453	8.8
58.75731	0.8
69.03441	0.8
69.63996	1.7
69.64419	3.2
70.28720	0.8
81.03460	3.7
83.01405	4.5
83.18242	0.9
93.03449	3.1
95.01382	2.8
95.05036	3.1
97.02965	5.9
107.05051	1.0
109.02961	13.8
111.04520	3.8
121.02969	5.0
123.00893	5.6
123.04501	1.2
124.01677	5.7
125.02460	100.0
126.02796	3.0
133.06601	1.2
135.04510	2.1
137.02454	30.7
138.03226	1.9
139.04034	21.6
147.04480	1.2
149.06087	2.9
151.04008	3.2
159.04576	1.0
161.02432	3.9
161.06090	1.1
162.03227	1.3
164.01193	6.9
165.01944	21.5
166.02573	2.1
167.02174	1.6
167.03513	22.9
173.06079	1.5
175.04008	3.1
176.04930	0.9
177.01949	1.7
177.05603	5.5
178.02643	1.1
179.03525	21.3
180.04085	0.9
191.03464	1.1
191.07042	1.8
203.03526	3.5
204.04337	3.8
219.06624	17.7
221.04538	7.3
237.07669	1.7
243.06548	1.8
247.02541	1.0
260.43063	0.9
261.07672	7.4
270.22437	0.9
305.06680	63.6
306.07034	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	305.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54561	0.7
57.03453	7.9
63.42895	0.7
65.16285	0.6
69.03471	1.4
70.93730	1.5
71.01390	0.7
73.46004	0.6
74.91373	0.8
78.95902	0.8
81.03470	4.5
83.01418	4.5
93.03460	2.8
95.01381	2.4
95.05045	3.0
97.02969	5.3
107.04999	1.0
109.02963	14.9
111.04510	3.9
113.06089	0.8
121.02971	3.3
123.00906	7.0
123.04536	1.7
124.01704	4.1
125.02460	100.0
126.02782	3.9
126.15605	1.0
133.06636	1.0
135.04567	1.6
137.02460	30.5
138.03191	2.5
139.04027	20.6
140.04347	1.1
147.04573	1.1
149.06082	2.5
151.04015	2.2
155.03545	0.7
159.04555	2.2
161.02449	2.7
164.01176	6.1
165.01952	22.6
166.02542	1.5
167.03516	23.0
173.06018	1.5
175.04008	3.3
175.07549	1.0
176.04790	1.3
177.01947	1.9
177.05576	5.0
178.02769	0.9
179.03510	23.5
180.03911	0.9
181.05101	0.8
186.28035	0.8
189.05588	1.0
191.03502	0.8
191.07156	3.1
201.05553	1.6
203.03534	3.7
204.04222	3.6
217.08521	0.8
219.06633	15.7
220.06989	1.0
221.04559	7.5
233.08211	0.9
243.06555	1.2
247.02652	0.8
261.07648	6.5
263.05591	0.9
287.05624	1.5
305.06699	61.7
306.07129	3.7
309.86826	0.8
315.06305	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.3
59.01387	100.0
60.01719	1.1
65.03990	0.6
69.03455	0.8
69.74056	3.5
71.05028	9.1
73.06580	1.4
81.03465	1.7
83.05042	5.3
85.02983	1.1
87.04533	2.7
97.06606	0.6
99.04535	2.1
101.06094	40.3
101.34726	0.5
102.06425	1.5
109.02975	1.0
125.02473	1.9
137.02473	1.7
139.11394	1.2
141.12872	3.6
155.14444	8.0
165.01892	0.8
167.14380	1.8
185.15463	0.9
190.57764	0.7
195.17595	3.7
205.19565	0.9
207.17537	1.1
225.18518	4.5
243.19682	4.3
285.20804	4.4
303.12576	1.3
303.16141	1.4
303.21820	40.7
304.22028	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	304.0015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54496	0.2
53.26428	0.3
56.05614	0.2
59.01389	9.4
60.01724	0.9
61.98841	100.0
69.19053	0.2
69.19344	2.3
116.02613	0.4
117.02332	0.6
118.00553	0.2
159.01595	1.3
160.01648	3.9
160.57768	0.2
161.01233	4.9
161.98969	18.4
162.01724	0.7
162.96614	0.8
162.99110	0.9
202.02768	0.8
203.02492	0.9
204.00005	3.9
204.02788	0.3
205.00238	0.3
261.99042	0.4
286.97095	0.2
304.00241	10.4
304.02991	3.7
304.99969	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83189	0.3
58.02983	42.6
59.01389	0.5
59.03316	0.6
70.39532	0.6
70.39893	0.7
73.47916	0.3
84.98045	0.3
95.34180	0.3
111.18102	0.3
119.54066	0.3
146.75119	0.3
168.13956	100.0
169.14328	6.1
173.19289	0.4
212.12921	3.4
213.13332	0.5
304.19211	0.8
321.65729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0669
Annotation	(-)-Gallocatechin
Peak:m/z	Relative Intensity
51.95778	0.4
57.03452	8.2
59.01390	0.8
65.48521	0.4
67.01889	0.8
69.03468	1.6
71.01408	0.4
71.27670	0.9
75.83633	0.4
77.03970	0.5
81.03461	4.1
83.01401	4.1
88.03284	0.4
92.14063	0.4
93.03465	2.3
95.01385	2.2
95.05034	3.9
97.02969	4.2
99.04521	0.5
105.20294	0.5
107.05070	0.7
109.02968	17.6
110.03297	0.7
111.04527	5.2
112.98618	0.8
113.06075	0.6
121.02977	3.5
123.00895	6.9
123.04530	1.6
124.01699	5.2
125.02464	100.0
126.02781	3.2
133.02983	0.6
133.06633	0.6
135.04552	1.7
135.63472	0.4
137.02466	31.0
138.03114	1.8
139.04030	22.4
140.04362	0.8
147.04543	0.9
149.02467	1.1
149.06123	1.6
151.04021	2.6
155.03520	0.6
159.04559	1.3
161.02487	3.0
162.03217	0.8
163.04057	0.6
163.07632	0.6
164.01183	6.8
165.01947	19.8
166.02586	1.8
167.03510	22.7
168.03882	0.8
173.06053	1.5
175.04024	3.8
176.04710	0.8
177.02037	2.1
177.05612	5.2
178.02696	0.7
179.03525	21.1
180.03961	1.3
189.05576	0.6
191.03545	0.5
191.07141	2.5
200.04872	0.5
201.05595	1.9
203.03558	3.1
204.04329	3.9
215.07178	0.8
218.05864	0.8
219.04584	1.0
219.06644	16.5
220.06946	1.3
221.04582	9.1
228.04088	0.4
233.08244	0.8
237.07681	1.2
243.06656	1.2
247.02414	0.6
261.07700	6.5
262.08078	0.8
263.05563	1.2
270.21887	0.4
287.05588	0.8
305.06702	60.2
306.06973	5.6
328.50113	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04890	0.5
57.03456	7.9
58.00602	2.4
58.01978	0.6
59.01385	100.0
60.01717	1.1
62.88263	0.5
64.55555	0.4
67.01953	0.6
69.03458	2.0
70.76776	1.4
85.02963	1.2
87.04521	7.6
93.50708	0.6
98.58195	0.5
116.04833	1.6
137.02432	1.0
153.12831	2.5
155.14436	21.8
156.14793	1.2
166.18553	0.6
169.15973	1.4
183.13898	1.7
185.15486	36.8
186.15823	1.7
195.17561	7.2
197.15450	1.2
205.19589	1.2
207.17610	1.9
213.18591	0.5
223.09799	1.9
223.20729	6.6
225.18581	1.0
241.21854	0.6
243.19662	29.6
244.19954	1.8
285.20718	4.7
303.05252	0.6
303.16043	1.5
303.21793	37.6
304.22079	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	303.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41265	1.0
55.10981	1.0
57.03442	3.9
59.01385	100.0
60.01757	0.9
67.67122	1.1
69.03475	1.9
69.86572	4.8
71.05018	11.3
73.06597	1.7
81.03451	2.3
83.05028	6.0
85.02946	1.7
93.04881	0.9
99.04523	2.2
101.06089	58.6
102.06389	1.1
104.39575	0.9
110.27367	0.9
119.15360	1.0
123.08134	1.1
125.02448	2.7
129.71446	1.0
137.02443	2.4
141.12875	4.7
155.14462	2.1
167.14441	2.0
174.47072	1.1
195.17616	1.8
225.18550	2.7
241.05055	0.9
243.19620	7.1
267.86884	0.9
279.45511	1.1
285.20758	5.4
303.05453	1.5
303.12509	1.5
303.16528	7.3
303.21808	48.8
304.22205	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	303.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35918	4.2
57.03450	10.6
58.00562	3.7
59.01389	93.2
68.99784	4.0
69.65652	21.0
71.01389	42.0
72.99324	44.3
75.00906	18.1
79.05571	7.6
83.01374	7.2
85.02970	3.9
89.02455	65.6
93.03483	6.6
97.06594	16.9
99.00887	15.4
107.05064	5.5
109.02975	8.0
109.06632	6.2
111.08157	15.5
112.98824	17.7
117.01968	28.9
121.02965	5.7
121.06583	13.3
123.08123	4.6
124.01660	6.6
124.98801	9.3
125.02485	30.8
125.06075	11.6
135.03000	17.1
137.02444	33.1
137.06064	6.1
139.07645	15.1
142.99883	100.0
149.06129	22.9
150.03189	5.3
153.05606	23.3
165.02011	6.8
166.06339	6.1
167.07155	30.5
167.36340	4.2
173.00941	22.9
174.01779	27.0
177.01982	6.3
180.47496	4.4
181.08759	18.5
183.06703	5.2
185.11841	10.5
193.05042	7.3
207.06703	5.5
211.06073	6.3
217.05037	7.7
225.07732	33.9
239.05850	4.2
259.06210	5.2
275.05624	9.4
285.04056	14.0
303.04910	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	303.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.6
59.01120	2.0
59.01388	31.8
70.01548	6.3
71.01379	5.5
72.39271	1.5
72.99317	2.6
82.56393	1.6
84.04570	2.1
94.60214	1.4
97.02923	1.6
107.03781	2.3
108.02186	1.5
108.04565	21.0
109.02917	2.9
109.12399	1.4
113.75669	1.5
121.02982	1.8
121.05395	3.1
122.06137	71.3
124.01669	2.7
124.07698	54.6
125.02443	5.9
125.08070	1.9
130.74449	1.5
134.06117	2.4
136.07697	92.9
137.02466	9.1
137.07991	3.4
139.07642	4.0
142.99896	8.0
147.06897	2.2
149.06131	1.6
150.03033	1.6
151.03995	1.7
153.05583	1.9
161.07150	2.1
165.01944	8.5
167.05833	7.7
167.07143	5.3
168.06674	100.0
169.07039	3.5
174.01543	1.5
177.01904	3.2
179.03534	2.6
180.06694	9.4
181.05115	1.6
185.11810	4.3
188.10941	1.8
193.05083	1.6
213.07672	1.7
216.13936	8.3
217.05074	1.5
222.52737	1.7
228.09146	1.8
230.10600	2.4
231.11357	4.5
235.06161	1.8
243.11285	7.1
259.06079	1.6
259.14560	8.4
275.75851	1.6
285.03989	1.6
285.12463	2.7
303.05023	5.6
303.08511	3.0
303.13516	65.3
303.21603	2.5
304.13763	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	303.0515
Annotation	Taxifolin
Peak:m/z	Relative Intensity
51.91949	0.6
55.23059	0.6
57.03164	0.8
57.03454	17.3
59.01376	0.7
65.00334	4.1
65.00629	0.7
65.03988	0.7
69.16473	6.9
81.03490	1.4
83.01395	7.5
88.76759	0.6
93.03465	1.4
95.01411	0.8
95.04995	0.7
107.01407	2.9
108.02209	0.6
109.02982	5.9
111.00888	1.0
119.05050	0.8
121.02956	3.2
122.03770	1.0
123.00876	0.8
123.04534	6.3
124.01692	3.1
125.02464	100.0
126.02792	3.2
135.04581	0.8
137.02455	6.8
139.04051	2.7
143.05162	0.6
145.02954	0.8
146.03745	1.2
147.04495	2.2
149.02455	5.4
150.03236	7.5
151.00378	10.0
151.04027	10.3
152.01196	3.4
152.04362	0.9
153.01953	7.0
159.04578	0.7
160.35022	0.6
161.02512	1.0
161.06122	1.2
163.04054	0.8
165.02010	1.3
165.05667	0.9
171.04579	1.1
173.02437	0.9
173.06075	1.6
174.03229	3.3
175.04013	17.5
176.01126	0.7
176.04512	1.0
177.01958	18.3
178.02356	0.8
178.99858	8.8
181.01476	1.7
185.05989	1.0
187.04155	0.8
188.04845	2.3
189.05614	5.2
193.05063	3.3
199.04054	8.9
201.01953	3.3
213.05571	1.9
215.03499	0.7
215.07150	0.8
216.04308	1.0
217.05069	10.3
218.05498	0.8
228.10600	0.7
229.05037	0.7
231.06679	1.8
235.06137	1.0
241.05159	6.5
242.02322	0.7
243.02966	2.0
243.11404	1.1
257.04581	1.7
259.06128	7.3
261.03986	1.1
273.12479	1.1
275.05661	7.2
285.04077	60.7
286.04416	5.5
303.05170	10.7
303.13461	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0515
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
53.50940	1.5
57.03453	1.7
59.01384	31.2
61.41090	1.3
65.00325	1.8
65.03976	9.2
67.01889	2.7
71.55194	2.3
82.00632	1.4
89.60425	1.6
89.88068	1.7
89.97411	1.8
91.01913	22.0
94.24971	1.7
99.08098	1.8
109.02965	100.0
110.03288	2.6
121.02960	3.9
123.00899	7.1
124.01687	22.9
125.02464	3.4
134.04228	1.7
135.00900	56.4
137.02480	6.7
139.04010	11.3
149.02449	1.7
149.99602	51.6
151.00293	2.5
152.01111	4.4
153.01961	26.5
163.00394	93.6
164.00751	4.8
165.01944	64.6
166.02274	3.1
183.02989	31.1
185.15527	2.8
193.01430	94.5
194.01773	4.4
195.75018	1.5
215.29384	1.7
243.19740	6.2
270.01706	3.5
285.04138	3.5
303.04944	9.5
303.12646	1.5
303.16302	1.9
303.21893	18.5
304.22287	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0515
Annotation	3,5,7,2',5'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
57.03451	5.6
67.01909	2.5
69.03472	2.1
70.26497	5.3
70.26854	1.7
81.03468	2.5
83.01382	8.3
91.51158	1.5
93.03483	4.2
97.02977	3.2
107.01424	1.9
107.05051	1.7
108.02214	1.8
109.02967	29.2
110.03321	2.1
119.05026	2.3
121.02979	9.2
123.04521	2.7
124.01672	4.0
125.02467	56.6
135.04510	1.7
137.02466	100.0
138.03189	4.5
143.05023	4.6
145.02956	3.5
147.04501	5.2
149.02489	9.6
150.03192	5.9
151.00435	2.2
151.04047	8.9
151.60963	1.7
153.01915	3.7
159.04469	2.5
161.02432	1.8
161.06065	3.2
163.04039	3.9
164.01154	4.2
165.01959	24.8
166.02699	7.1
171.04543	3.4
173.02444	4.3
173.06052	2.5
174.03215	3.6
175.04039	10.3
177.01923	17.8
179.03557	2.8
185.06125	4.0
187.04028	3.9
188.04770	1.8
189.05605	9.6
190.02722	2.7
191.03534	10.4
193.05081	8.3
198.03339	1.9
199.04001	7.1
201.01924	2.2
202.02644	1.7
205.05034	3.2
207.06645	19.1
211.04034	2.2
213.05624	8.2
214.02702	1.7
215.03494	5.6
216.04091	2.9
217.01601	2.2
217.05074	16.9
219.03009	5.0
229.04993	3.0
231.06706	6.9
233.04587	10.2
235.06166	14.5
241.05098	11.8
243.02933	4.9
256.03824	1.8
257.04626	11.6
259.06155	15.4
261.04062	3.5
274.04700	7.3
275.05637	23.6
285.04123	22.2
286.04471	1.9
303.05124	43.3
304.05609	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.3
59.01386	2.0
69.92128	0.2
71.01366	0.5
71.55123	0.3
74.02502	0.2
83.05022	0.3
85.02923	0.4
89.02428	0.3
91.03975	1.1
107.01404	0.4
109.02947	0.6
119.05035	0.4
121.02974	0.4
123.00873	0.6
138.03215	0.3
142.36865	0.3
143.34705	0.3
147.80746	0.3
149.02498	0.3
151.00369	0.7
165.01971	0.7
165.04115	0.2
165.12866	4.7
183.13914	100.0
184.14247	5.1
199.03764	0.3
209.11848	3.0
217.58568	0.3
227.12891	5.3
240.04247	0.3
270.09213	0.3
271.02499	0.6
271.09915	0.3
279.53580	0.3
286.04572	0.3
286.08273	0.3
300.99994	1.8
301.03543	1.5
301.06696	1.5
301.10892	0.8
301.16678	10.2
301.20221	2.0
302.16980	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1663
Annotation	Viridamine
Peak:m/z	Relative Intensity
60.97517	0.9
63.04953	0.5
64.97466	0.4
65.41457	0.4
69.31059	3.3
74.99095	0.8
110.87738	0.4
118.96268	1.3
134.99413	6.0
136.97333	1.8
143.05348	2.1
152.01228	0.4
155.84338	0.4
159.08484	1.2
160.68004	0.4
161.06415	5.5
170.05667	0.4
201.04027	0.6
203.05659	2.5
205.03593	0.8
215.05678	1.0
217.07222	83.6
218.07370	6.6
221.83885	0.4
224.24471	0.5
240.18474	0.4
252.82880	0.4
261.06296	0.6
268.00174	0.4
283.11893	0.6
285.13501	33.4
286.13760	4.8
301.16626	100.0
302.16791	12.1
318.01895	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98823	4.0
63.02429	1.4
65.26074	1.3
71.05011	1.8
71.48030	2.0
78.95914	2.7
81.03461	14.1
90.71076	1.4
91.98575	1.2
97.06611	6.2
99.04522	16.2
119.05052	3.7
121.02990	2.1
123.00905	1.8
132.18887	1.4
138.03259	1.8
151.00438	6.8
151.01437	1.4
159.06645	64.0
160.06982	2.3
178.99873	2.2
183.13927	3.3
198.93889	1.4
217.64764	1.4
219.97752	2.2
221.19124	1.4
223.17070	2.2
244.56665	1.3
245.89235	1.3
246.15497	1.4
250.22290	1.3
257.15277	1.8
273.14899	1.5
283.19180	16.4
284.19507	2.3
293.66547	1.6
300.99860	12.8
301.03491	8.4
301.06793	2.8
301.14420	2.6
301.20303	6.2
302.00018	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.1
66.12457	0.2
71.01343	0.2
89.02451	0.4
91.04015	1.3
98.19791	0.4
110.76675	0.2
111.08182	0.3
151.00349	0.3
165.12883	3.9
166.13301	0.2
183.13928	100.0
184.14272	5.3
200.09621	0.2
209.11880	2.7
227.12914	4.4
301.03680	0.3
301.16617	9.4
301.19730	0.4
302.16977	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.9
65.52951	0.3
69.40708	1.6
69.41129	0.5
89.02430	0.3
91.04023	0.9
110.00188	0.4
111.08187	0.4
115.95783	0.3
165.12860	4.6
165.99013	0.5
183.13919	100.0
184.14244	5.2
209.11861	2.7
227.12891	4.6
228.13327	0.4
286.04874	0.7
300.99915	0.3
301.03525	0.3
301.07382	0.6
301.16592	9.9
302.16983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.1
63.02389	0.5
65.00317	0.8
71.01382	0.3
72.13180	0.2
74.71164	0.2
81.18003	0.2
83.01390	0.4
89.02467	0.2
90.61473	0.2
91.04031	0.7
107.01404	1.6
108.02193	0.6
109.02949	0.4
121.02966	1.1
134.03781	1.2
136.01709	0.4
149.02466	2.0
149.06100	0.6
151.00383	2.8
165.01952	0.3
165.12860	4.4
177.02013	0.3
177.05580	0.2
178.99878	0.3
183.13913	100.0
184.14255	5.2
184.15916	0.3
191.03496	0.3
209.11835	3.6
227.12888	5.0
228.13174	0.3
286.03946	0.4
301.00201	0.3
301.03537	5.9
301.07153	3.1
301.11005	0.5
301.16599	9.9
302.03940	0.6
302.16925	0.9
309.07477	0.2
320.55566	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1085
Annotation	Odoratol
Peak:m/z	Relative Intensity
59.01384	8.2
61.98848	1.9
70.01459	2.7
78.95908	4.0
79.31056	0.8
85.84436	0.7
93.65190	0.7
95.01437	1.2
96.96958	1.0
107.01388	2.8
111.00904	1.3
117.03511	0.8
119.05035	18.6
120.05290	1.2
121.02982	1.5
123.00900	5.7
124.01675	76.6
125.01978	1.4
137.02493	1.0
139.00386	19.4
140.01192	0.8
151.00385	11.9
152.01166	100.0
153.01532	3.0
161.02461	0.7
165.01933	1.4
166.99850	1.6
169.01540	4.1
172.37531	0.7
178.99893	2.1
183.13814	1.7
183.24928	0.7
185.15433	3.4
192.56604	0.6
197.15497	1.9
201.02084	0.9
217.07222	1.0
219.97655	1.0
268.07480	2.1
269.08240	3.0
271.06131	16.5
271.08902	1.3
272.06671	1.7
286.08493	67.0
287.08917	6.1
300.99927	9.7
301.03470	5.3
301.10831	56.8
301.20248	2.1
302.00476	1.0
302.11145	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	301.1448
Annotation	Nordihydroguaiaretic acid
Peak:m/z	Relative Intensity
67.01895	0.8
71.12784	0.9
83.17804	0.4
93.03472	2.7
105.03491	1.0
106.04248	0.8
107.05042	0.5
108.02205	0.7
109.02960	0.5
121.02963	5.4
122.03777	6.0
123.04562	0.9
125.92700	0.4
131.08675	0.7
133.02954	1.6
135.04524	1.7
136.01665	0.9
137.02473	0.4
145.06584	1.0
147.04517	1.7
148.01678	2.1
149.02460	25.3
150.03264	2.6
151.00351	0.5
157.06676	0.4
159.08130	0.5
161.02472	15.5
162.02834	0.7
163.04030	1.0
166.02667	0.6
173.06087	0.9
175.03996	5.8
175.07631	6.8
176.04416	0.6
176.08096	0.4
182.02333	0.6
186.89670	0.4
187.04044	1.2
187.07651	1.3
189.01956	0.5
189.05600	3.5
189.09207	0.6
201.05655	0.8
202.06270	0.7
203.03378	0.7
203.07141	4.6
204.07813	1.6
204.68205	0.4
214.06352	1.6
215.07097	1.0
216.97937	0.5
217.05081	0.8
227.14372	0.7
229.08681	0.9
229.16002	3.9
243.13950	0.4
245.15475	14.4
246.15756	1.3
255.13956	0.6
257.15488	5.3
271.13364	1.5
273.14996	33.0
274.15396	2.9
289.14493	0.6
300.99802	1.0
301.14481	100.0
302.14871	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0931
Annotation	Isotachioside
Peak:m/z	Relative Intensity
50.12980	0.4
53.40808	0.4
54.34833	0.4
57.03454	0.5
59.01365	0.7
64.71632	0.5
69.53928	1.1
69.54327	2.3
71.01389	3.7
73.02950	1.2
83.01390	1.4
85.02965	1.8
89.02454	0.7
93.03465	1.3
95.01401	4.1
98.20379	2.0
99.00890	0.8
101.02467	2.8
107.01412	0.8
108.02171	1.0
109.02991	1.3
111.00975	0.5
113.02452	2.7
121.02994	2.8
122.03738	0.9
123.00901	100.0
124.01760	7.4
125.02463	10.4
136.01662	0.6
137.02448	3.5
138.03246	63.6
139.00381	1.1
139.04054	17.3
140.04301	0.9
149.02489	2.4
149.99612	3.7
150.03299	0.7
151.00418	3.5
151.04039	1.9
159.03032	0.5
161.04575	3.3
163.04018	0.9
166.02690	2.3
168.00673	10.2
169.01450	1.5
175.74524	0.5
178.02705	1.3
181.05072	5.7
193.05063	2.2
283.04669	0.9
301.05792	16.9
301.09366	2.9
302.06134	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03970	11.9
67.01894	4.3
69.21645	1.3
69.22047	4.6
70.11086	0.6
73.86531	0.5
80.02683	2.3
85.02970	0.9
91.01900	9.8
93.03480	1.0
95.01405	2.3
98.20610	1.3
98.51574	0.6
107.01403	7.5
108.02187	11.3
109.02963	100.0
110.03288	2.8
121.02956	2.0
122.03741	3.7
123.00900	17.0
124.01688	2.1
135.00908	17.5
136.01674	18.0
137.02530	4.7
137.15323	0.7
148.01669	3.4
149.02428	1.9
150.03242	3.5
151.00333	0.8
153.01952	4.6
153.05589	2.2
163.00401	19.3
163.04019	2.8
164.00891	0.9
165.01932	1.1
183.04506	0.7
183.10356	0.8
210.95787	0.6
211.04074	1.0
211.65656	0.6
213.05630	0.7
223.04167	0.7
233.04903	0.6
240.04195	3.5
241.05014	2.0
242.05872	9.3
255.06735	0.8
256.03561	0.6
257.08163	5.3
258.05380	12.5
258.08054	0.7
259.05606	1.1
268.03751	2.2
273.07709	97.7
274.08075	8.6
283.06238	1.3
301.00110	1.6
301.03699	3.0
301.07187	47.6
302.07574	4.4
306.17126	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	301.0568
Annotation	Neostigmine bromide
Peak:m/z	Relative Intensity
53.32647	0.5
69.03467	1.9
70.72836	1.4
79.01895	1.0
81.03475	1.3
83.01390	1.4
90.46470	0.6
95.01379	0.8
96.07081	0.5
97.02952	1.9
107.01403	2.1
123.00875	3.2
124.01674	19.1
125.02463	58.7
126.02819	1.5
149.99606	29.6
151.00410	3.0
151.01451	0.5
161.06923	0.6
162.70975	0.6
167.03557	0.6
168.00670	78.3
169.01416	8.3
189.76147	0.6
189.85339	0.5
283.04633	7.7
301.05685	100.0
302.06067	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	301.0567
Annotation	Neostigmine bromide
Peak:m/z	Relative Intensity
52.98871	0.5
64.67369	0.6
69.03458	2.3
69.18793	5.6
71.01380	1.0
78.95933	0.7
79.01911	0.8
81.03451	0.7
83.01392	1.2
89.02502	0.7
95.01405	0.7
97.02970	2.5
107.01379	2.0
123.00894	7.8
124.01679	18.1
125.02462	52.8
126.02803	0.9
128.03545	1.7
133.01509	0.6
138.03276	1.7
139.04016	2.6
149.04568	1.0
149.99600	30.5
151.00407	3.6
160.60124	0.5
165.05592	0.6
168.00655	74.4
169.01384	8.8
283.04584	6.6
284.12509	0.8
301.05679	100.0
302.06061	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	301.072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.1
61.70463	0.5
63.02407	13.4
65.00327	8.1
65.03983	0.6
70.18153	1.0
70.18552	1.0
72.84753	0.4
83.01394	9.1
87.19838	0.5
92.83060	0.4
93.03462	6.0
95.01402	1.0
107.01399	23.8
108.02233	3.2
109.02938	2.8
121.02970	3.0
123.00910	0.8
124.01702	0.7
134.03751	0.9
135.04533	7.8
136.01656	3.4
137.02469	5.3
149.02438	0.5
149.06107	0.5
149.99609	4.2
151.00383	52.2
152.00702	1.7
164.01149	5.4
165.01942	83.0
165.12874	5.0
166.02237	3.3
169.01474	2.8
169.02802	0.5
177.01985	1.0
183.13910	26.2
183.86740	0.5
184.14229	1.3
185.02527	0.6
196.00137	2.7
199.04041	0.6
201.01913	0.5
209.11824	1.4
227.12889	7.3
257.04599	0.7
271.02567	2.7
286.04877	16.9
286.08185	0.8
287.05246	1.7
300.99942	2.6
301.04004	3.7
301.07187	100.0
301.16577	4.5
301.20261	2.8
302.07501	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	301.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.7
63.02400	8.0
65.00333	14.4
66.00677	0.4
69.39584	3.5
72.42782	0.5
75.12251	0.4
83.01395	8.0
93.03471	5.2
95.01390	0.9
107.01402	24.5
108.01662	0.5
109.02976	2.5
111.00850	0.5
121.02969	20.4
122.03307	0.8
124.01688	0.7
125.02425	0.9
136.07690	1.1
137.02426	0.8
139.03993	2.9
143.05141	0.5
145.02945	0.7
147.04530	1.0
149.02452	3.5
151.00383	67.2
152.00763	1.9
159.04520	1.3
161.02425	1.3
163.00388	1.8
163.04080	1.0
164.01161	1.3
165.01897	0.5
169.01457	2.0
172.84586	0.5
175.04091	0.6
178.99886	23.6
180.00259	0.7
183.04568	0.7
183.13939	1.0
185.06190	0.5
187.03976	1.2
188.91438	0.4
192.00648	0.9
193.01450	1.7
201.05623	1.5
203.03545	0.6
205.05090	0.9
211.04005	1.0
217.04825	0.4
217.82132	0.5
227.03439	1.2
229.05090	1.6
243.03006	1.0
245.04588	1.6
255.03027	3.0
257.04626	2.1
257.13034	2.8
271.02438	0.6
273.04010	4.0
283.02560	1.3
284.03229	0.7
301.03552	100.0
302.03882	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	301.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64550	0.3
59.01381	1.3
63.02402	8.2
65.00331	13.9
66.78847	0.4
68.60770	0.4
69.42126	2.9
71.01379	0.5
72.81461	0.4
73.13380	0.4
81.03452	0.5
83.01392	8.2
93.03465	4.0
95.01407	1.1
97.78288	0.3
105.03486	0.5
107.01400	21.8
108.04568	0.9
109.02972	3.1
119.01404	0.6
119.05085	0.8
121.02967	17.5
122.03326	0.6
123.00912	0.7
123.66618	0.4
124.07719	0.6
125.02465	1.5
133.02972	1.0
135.00868	0.4
135.04553	0.4
136.01643	0.4
136.07690	2.9
137.02477	0.9
139.04022	1.9
141.03435	0.4
143.05058	0.9
145.02924	0.8
145.06622	0.4
147.00891	0.5
147.04535	1.7
148.01758	0.4
149.02452	5.0
151.00378	58.6
152.00746	1.6
155.04967	0.4
159.04529	1.4
161.02437	1.1
161.06125	0.6
163.00388	1.3
163.04047	1.0
164.01122	1.3
165.01962	1.0
165.12732	0.6
167.05029	0.5
169.01463	2.6
169.02773	0.6
171.04440	0.5
173.06078	0.4
174.52798	0.4
175.03967	0.8
178.99873	21.2
180.00195	0.6
183.04491	1.8
183.13901	1.7
185.02475	0.5
185.06091	0.9
185.32063	0.4
187.03976	1.2
189.01901	0.5
189.05525	1.0
193.01416	1.4
196.00095	0.5
199.04114	0.6
201.05704	0.9
203.03453	0.6
205.04968	0.6
211.04021	1.5
213.05505	0.8
215.03514	1.0
227.03500	4.3
229.05078	2.6
231.03011	0.6
238.91180	0.4
239.03554	0.8
243.02876	0.6
245.04506	1.8
253.24622	0.4
255.02989	12.0
256.03400	1.0
257.04572	7.6
257.12982	6.2
258.04657	0.6
273.03992	3.0
282.99408	0.7
283.02499	11.0
284.00006	0.6
284.02884	2.5
287.21094	0.4
299.01852	0.7
301.03525	100.0
301.20248	2.3
302.00507	0.5
302.03879	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	300.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.3
63.44206	0.3
63.94380	0.3
68.01421	0.4
69.67258	1.3
69.67654	0.5
71.01391	1.4
89.02465	0.8
90.02787	0.3
93.03455	1.7
94.03806	1.3
95.05016	0.4
101.02427	0.4
103.14909	0.3
109.02941	0.3
119.03492	0.4
122.02470	0.4
122.06163	0.4
123.03288	10.2
124.00754	0.6
124.01630	0.3
125.02445	0.4
133.32562	0.3
137.02457	2.8
137.04810	0.7
137.31264	0.3
138.02829	2.7
138.05624	100.0
139.04027	0.5
139.05994	3.3
152.03577	0.7
152.07141	0.7
165.04301	0.5
167.05890	0.7
168.00662	0.7
170.41751	0.3
180.06660	2.1
228.04478	0.4
300.07849	0.3
300.10913	6.1
300.99954	0.7
301.05963	0.6
301.10950	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
57.60396	0.7
57.60677	0.7
59.01377	4.6
60.01701	1.1
60.99321	2.8
69.50613	4.8
72.00909	2.0
72.04546	4.3
74.02480	100.0
75.02826	1.2
83.05035	0.8
84.04544	1.0
84.12128	0.7
87.00852	0.7
95.96230	0.8
97.06614	1.0
104.03550	16.6
107.01403	1.2
111.08199	0.9
123.00873	0.8
124.74849	0.7
128.18210	0.7
135.00888	0.8
137.02483	0.8
138.05626	2.2
147.03728	0.8
151.00368	1.9
163.00372	1.3
164.00740	2.0
165.02048	0.9
165.12849	2.3
177.12854	1.6
183.13905	10.1
196.17117	1.9
208.17062	11.5
209.12018	0.9
209.17352	1.0
213.14886	1.3
220.17110	5.4
227.03458	1.1
227.12982	0.7
238.18149	2.9
252.16052	0.9
270.17114	47.3
271.02451	1.7
271.17426	3.2
272.02863	4.5
284.03113	1.0
285.03564	5.8
300.02307	5.1
300.05902	5.1
300.18185	59.9
300.99832	2.9
301.03427	1.3
301.07239	4.1
301.10342	1.0
301.18570	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	300.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00354	0.5
50.20557	0.3
53.17016	0.3
59.01385	2.5
61.43320	0.3
62.43047	0.3
68.01435	2.5
70.02967	0.3
71.01384	0.5
71.12663	0.5
71.13004	0.4
72.99321	0.6
73.02944	0.3
77.88594	0.3
80.28556	0.3
84.59197	0.3
85.02952	0.4
89.02439	0.8
96.04597	0.5
98.02500	0.4
98.20723	0.3
110.02424	0.4
110.06064	0.4
122.02506	1.0
123.03278	6.1
124.01668	1.3
124.04134	0.4
124.07707	1.1
130.08737	0.4
136.07727	0.4
137.04834	0.8
138.05629	100.0
139.04039	2.8
139.05977	3.5
140.07132	0.4
152.03548	0.3
152.07210	1.4
166.08781	0.5
167.05888	2.1
168.06708	0.7
180.06680	5.1
194.88069	0.3
210.07774	0.5
273.07629	0.8
300.10910	14.1
300.99976	0.3
301.07181	0.6
301.11145	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1868
Annotation	Achaetolide
Peak:m/z	Relative Intensity
51.38439	0.7
53.58141	0.7
55.01868	1.3
57.03441	2.6
58.00624	0.8
59.01387	11.4
65.00331	1.2
69.03472	1.1
69.76897	4.4
71.01388	1.9
74.02470	1.5
75.00869	1.1
83.05025	1.6
84.02143	0.8
85.02974	3.9
93.03515	0.9
95.05043	3.0
97.06605	10.7
99.08154	5.0
107.01429	1.2
109.02946	1.8
109.06611	1.8
110.03718	1.6
117.03448	4.9
121.06558	1.1
123.08188	0.9
127.07671	0.9
127.11269	1.9
129.01944	2.4
133.02986	1.0
135.00859	0.8
135.08099	0.8
137.02486	1.0
137.09738	3.1
138.05608	2.0
139.07672	0.9
139.11302	5.1
143.07141	7.5
147.08150	1.3
149.09734	5.3
153.09273	0.9
155.10748	5.8
157.08707	1.7
161.02457	4.2
163.00409	4.9
163.06282	0.7
165.09187	1.3
167.10834	0.9
169.08777	1.2
171.04594	1.0
174.99260	1.9
175.07695	1.0
180.64813	0.9
181.08693	1.8
183.10275	23.5
184.10555	0.9
193.08701	2.7
199.04065	2.2
199.09822	1.0
201.11360	15.4
207.10274	2.2
211.09782	2.0
214.86086	0.7
215.03601	1.0
217.00340	7.5
219.17625	1.6
225.11372	4.0
227.03561	1.4
233.21609	0.8
246.14854	0.7
255.03157	0.9
255.06656	1.2
263.16653	5.6
269.04593	9.7
270.16995	1.2
271.02490	7.2
272.02786	1.5
281.04614	9.9
281.17670	2.3
284.03271	7.1
284.06320	1.0
299.02036	11.7
299.05627	21.0
299.18665	100.0
300.02618	1.2
300.05988	2.5
300.18982	11.6
302.20700	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2594
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
51.70324	0.7
57.03457	0.7
59.01373	2.7
59.42815	0.7
61.79476	0.6
71.53922	1.0
81.28710	0.6
83.05029	1.9
85.06599	9.1
99.08165	1.1
103.52546	0.6
125.68028	0.6
128.15915	0.7
138.05629	2.3
197.19112	7.0
199.04036	1.2
215.41348	0.7
217.00333	2.5
251.23892	1.0
253.25388	13.6
254.25835	1.0
271.02542	4.1
284.03281	5.8
297.24484	1.6
299.01987	6.6
299.05582	4.1
299.25925	100.0
300.02533	1.0
300.26221	10.2
320.71783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2594
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
52.83305	0.6
55.01867	0.9
59.01388	1.3
65.00355	0.6
67.96883	0.6
71.08890	1.3
83.05078	0.6
138.05602	1.2
143.04976	0.6
199.04021	1.0
225.22197	1.2
249.22194	1.2
251.23770	3.2
253.25398	61.6
254.25772	5.7
256.03494	0.6
271.02493	4.3
281.24768	1.5
284.03317	2.8
299.01956	5.2
299.05496	2.3
299.25928	100.0
300.02341	0.8
300.26318	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	299.2595
Annotation	(R)-10-Hydroxystearate
Peak:m/z	Relative Intensity
56.20210	0.4
59.01387	100.0
60.01736	1.3
60.99313	0.4
65.00336	0.6
68.68075	0.4
69.54816	1.0
69.55228	1.5
70.79726	0.3
82.13370	0.4
109.02939	0.4
112.88290	0.4
138.05632	0.9
145.06367	0.4
152.54877	0.3
190.92928	0.3
190.94661	0.4
199.04227	0.5
243.02907	0.4
253.25500	0.6
271.02554	1.7
284.03400	1.6
299.02032	2.5
299.05731	1.3
299.25928	48.7
300.02393	0.4
300.26300	4.9
319.34399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0929
Annotation	4,4'-Dihydroxy-2',6'-dimethoxychalcone
Peak:m/z	Relative Intensity
57.72218	0.2
59.01385	9.9
69.34101	1.9
74.02467	0.5
78.45285	0.2
91.67782	0.3
92.40995	0.3
93.03466	1.0
107.05138	0.2
119.05042	100.0
120.05377	4.2
121.02969	0.5
123.00893	0.7
132.98228	0.5
133.06599	0.4
138.05666	0.6
145.02988	0.3
145.06477	0.3
153.05504	0.3
174.99292	3.6
183.13930	2.2
185.70213	0.3
211.88313	0.3
212.08434	0.4
217.00322	12.0
218.00624	0.6
227.10768	0.5
240.04207	0.3
240.07858	0.4
241.04951	0.3
256.03726	0.5
266.05841	0.8
269.04520	2.4
270.05237	0.3
271.02618	0.5
281.08145	1.4
284.00299	0.5
284.03247	3.7
284.06799	1.5
299.01971	1.5
299.05612	3.0
299.09225	18.1
299.19778	0.4
299.25699	0.7
300.09656	1.8
300.21463	0.3
313.78378	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42125	0.3
59.01386	10.3
63.69861	0.3
65.00327	0.5
65.39137	0.3
71.55905	0.3
93.03494	0.6
109.02936	0.6
115.51169	0.3
117.03524	0.4
119.05041	100.0
120.05398	4.2
121.02962	2.2
133.02933	0.8
138.05644	1.1
142.69489	0.3
151.00294	0.3
165.01971	0.4
171.04459	0.3
174.03268	0.3
174.99236	3.1
175.07515	0.3
179.03557	0.7
187.04012	0.4
199.04092	0.7
200.42622	0.4
201.01921	0.3
215.03561	0.5
217.00327	11.5
218.00674	0.5
225.05603	0.6
227.03514	0.6
227.28755	0.4
241.05017	0.4
243.03136	0.4
256.03830	0.9
267.06641	28.3
268.07077	2.5
269.04608	0.6
271.02481	3.3
272.02789	0.4
284.03394	5.7
284.06833	1.1
285.03867	0.4
289.19211	0.3
299.02048	4.5
299.05676	5.2
299.09296	4.1
299.12598	0.5
299.25864	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03574	0.6
59.01381	12.3
59.50230	0.6
65.00320	3.0
71.54462	1.1
83.30972	0.6
86.71007	0.6
90.97174	0.6
91.01907	39.2
92.02276	0.8
99.08202	0.6
99.92657	0.6
109.02992	1.5
118.36107	0.7
119.05035	1.1
121.03046	0.8
127.54651	0.6
133.06610	99.1
134.06967	4.5
135.00902	68.4
136.01237	2.1
136.98790	2.9
138.05646	1.5
143.04985	0.7
143.28188	0.8
145.06613	87.0
146.06940	5.4
149.02452	1.2
152.93517	0.6
153.01956	43.5
154.02304	1.7
161.06085	2.6
163.07668	75.9
164.07991	4.3
174.99268	2.9
183.04459	0.8
199.04005	1.2
217.00339	11.7
227.03546	1.8
243.03117	0.7
255.02919	0.8
255.10478	0.8
271.02518	7.0
281.08145	2.4
284.03305	19.4
285.03687	1.5
299.01947	8.3
299.05618	10.3
299.09229	100.0
299.18497	4.7
300.02365	1.2
300.06079	1.1
300.09601	7.7
315.70706	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0927
Annotation	Dehydromelanoxin
Peak:m/z	Relative Intensity
59.01386	29.2
60.27098	0.8
65.00317	2.6
67.01905	1.1
68.65198	0.8
71.08495	1.9
81.09341	0.8
83.01390	1.0
90.97186	1.3
91.01904	9.2
93.03442	1.3
95.01389	3.3
97.02942	0.9
107.01401	1.1
108.02193	9.4
109.02950	2.5
117.03491	0.8
119.05048	8.2
121.02885	0.9
123.00888	1.8
132.98203	1.1
133.02963	6.7
135.00912	9.6
136.01666	1.4
138.05585	2.5
143.05023	1.0
147.04506	2.4
148.00569	1.6
148.01678	23.8
149.02109	1.1
151.00359	1.8
153.01921	3.1
155.05049	1.2
161.02455	0.8
163.80957	0.9
169.06606	1.1
171.04547	1.1
174.99278	9.9
175.04044	2.1
178.99849	3.1
180.00662	31.7
181.00970	0.9
183.04576	1.6
187.03996	1.0
197.06064	3.1
198.03194	1.2
199.04034	6.5
200.94611	1.0
201.01906	1.3
201.05536	3.2
213.05508	1.9
215.03523	1.3
217.00322	37.4
225.05548	3.7
226.02803	1.2
227.03465	6.7
234.62436	0.9
237.05682	1.8
240.04379	1.2
241.05106	7.9
243.03026	1.9
254.02170	1.2
255.06717	4.2
256.03815	1.7
265.05124	1.0
269.04572	17.4
270.04837	1.7
271.02533	15.7
272.02722	1.1
283.06158	4.9
284.03268	14.3
284.06866	17.6
285.07397	1.2
299.02237	25.2
299.05624	9.6
299.09238	100.0
299.20010	3.3
299.25766	1.2
300.02246	2.7
300.06113	1.3
300.09552	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	299.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37698	0.3
63.31608	0.3
65.00335	0.8
69.51043	0.3
69.51647	2.0
69.52009	0.3
70.55695	0.3
75.21026	0.3
86.46936	0.3
89.43900	0.3
98.20635	0.6
107.01405	0.7
110.00089	0.3
132.02155	0.9
133.02925	1.6
135.00874	0.4
146.95631	0.3
147.00775	0.3
151.00449	0.3
155.05048	0.5
163.00366	1.4
183.04524	1.2
184.05261	0.7
187.03992	0.4
190.99879	4.5
199.03960	1.4
200.04816	2.6
210.03334	0.7
211.03976	2.6
212.04781	1.1
227.03506	5.9
228.04282	3.4
229.04686	0.4
239.03511	2.7
240.04308	9.3
241.04626	0.8
255.03026	6.0
255.05623	0.2
256.03699	2.2
266.02142	0.4
267.02951	0.9
271.02481	0.8
283.02518	6.4
284.03284	100.0
285.03671	8.1
299.05630	53.1
300.02829	0.7
300.05936	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	299.0775
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
50.61660	0.3
59.01384	0.7
62.32401	0.4
65.03971	0.3
67.82304	0.3
69.64111	2.1
69.64506	0.8
71.01395	2.7
73.02962	0.6
83.88098	0.4
85.02972	1.1
93.03469	65.2
94.03804	1.9
101.02440	0.6
113.02467	0.8
129.55157	0.3
137.02461	100.0
138.02792	3.8
138.05612	3.6
140.91222	0.4
299.07809	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0927
Annotation	2',4'-dihydroxy-3,4-dimethoxychalcone
Peak:m/z	Relative Intensity
58.03574	0.6
59.01381	12.3
59.50230	0.6
65.00320	3.0
71.54462	1.1
83.30972	0.6
86.71007	0.6
90.97174	0.6
91.01907	39.2
92.02276	0.8
99.08202	0.6
99.92657	0.6
109.02992	1.5
118.36107	0.7
119.05035	1.1
121.03046	0.8
127.54651	0.6
133.06610	99.1
134.06967	4.5
135.00902	68.4
136.01237	2.1
136.98790	2.9
138.05646	1.5
143.04985	0.7
143.28188	0.8
145.06613	87.0
146.06940	5.4
149.02452	1.2
152.93517	0.6
153.01956	43.5
154.02304	1.7
161.06085	2.6
163.07668	75.9
164.07991	4.3
174.99268	2.9
183.04459	0.8
199.04005	1.2
217.00339	11.7
227.03546	1.8
243.03117	0.7
255.02919	0.8
255.10478	0.8
271.02518	7.0
281.08145	2.4
284.03305	19.4
285.03687	1.5
299.01947	8.3
299.05618	10.3
299.09229	100.0
299.18497	4.7
300.02365	1.2
300.06079	1.1
300.09601	7.7
315.70706	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46455	0.2
59.01371	0.4
63.02403	0.4
65.00336	0.8
65.27581	0.3
72.85194	0.3
83.01386	0.3
85.68256	0.3
91.01894	0.7
95.01423	0.2
95.89310	0.3
96.54478	0.3
107.01377	0.8
109.02949	0.6
133.02933	0.4
135.00897	2.1
144.70457	0.3
145.02985	0.3
148.01675	6.3
150.03221	0.8
151.00342	1.6
153.01874	0.3
158.03752	1.2
161.02434	0.4
165.01958	0.4
170.03688	0.5
172.05281	0.6
176.01190	1.3
183.04550	1.6
184.05341	0.4
187.04036	0.5
188.04744	0.5
195.04488	0.9
196.05344	0.3
199.04068	2.2
200.04826	1.9
211.04024	4.6
212.04819	2.9
214.02779	0.7
215.03441	0.3
223.04048	1.4
227.03526	10.1
228.04135	1.9
239.03569	3.5
240.04257	1.7
242.02237	0.9
255.03015	8.5
256.03708	4.8
256.85236	0.3
257.04111	0.3
267.02979	1.8
283.02502	8.3
284.03281	100.0
285.03607	8.5
299.05627	94.2
300.02441	0.4
300.05978	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	299.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.2
63.02399	1.8
63.38884	0.3
65.00301	1.1
72.44478	0.3
83.01393	1.7
105.23249	0.2
107.01409	3.7
108.41075	0.3
132.02234	0.6
133.02939	1.0
134.03780	1.4
146.03667	0.3
147.04539	1.4
148.01665	0.5
149.02472	0.3
149.99544	0.8
151.00397	5.5
183.04498	1.2
187.03999	0.4
188.04762	0.4
195.04567	0.4
199.04013	0.9
200.04782	1.0
211.03961	1.8
216.04158	0.3
227.03493	3.3
228.04102	0.4
239.03496	0.5
255.03064	2.1
256.03787	10.0
257.03998	0.8
283.02524	1.3
284.03290	100.0
285.03607	7.2
299.05640	79.0
300.05984	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	299.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75819	0.2
56.28599	0.4
59.01354	1.0
63.02384	0.3
64.11279	0.3
65.00316	0.7
69.32522	2.6
72.85165	0.4
82.84663	0.2
84.36214	0.3
86.39913	0.3
91.01878	0.9
93.03458	0.3
100.48943	0.3
107.01378	0.3
112.77380	0.3
123.04531	0.6
129.35127	0.3
133.02931	0.3
135.00909	1.9
137.02429	0.5
148.01691	6.6
150.03174	0.8
151.00378	1.2
158.03726	1.2
161.02467	0.3
165.05524	1.0
167.04980	0.5
170.03735	0.4
172.05351	0.4
176.01158	1.9
177.12830	1.1
183.04521	1.6
184.05298	0.6
186.03259	0.3
187.03949	0.5
188.04825	0.4
193.05070	1.8
195.04492	1.1
195.13916	0.6
196.05281	0.4
198.03221	0.6
199.04082	2.1
200.04816	2.1
211.04044	4.0
212.04819	2.5
213.01724	0.3
213.14964	0.6
214.02737	0.5
215.03465	0.6
216.04213	0.6
223.04048	1.3
227.03522	11.7
228.04109	1.9
239.03485	3.8
239.87605	0.3
240.04266	1.8
242.02274	0.9
255.00267	0.5
255.03006	9.0
256.03729	4.2
265.31287	0.3
267.02988	1.7
269.09528	0.3
271.02597	0.7
283.02527	7.3
284.03290	100.0
285.03619	7.9
299.05643	92.1
300.02802	0.5
300.05966	7.6
305.87674	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0563
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
65.00337	0.4
69.26769	1.4
69.27203	1.7
72.70164	0.3
74.02476	0.4
81.53281	0.3
85.02965	0.6
87.04533	0.8
97.03986	0.3
110.00116	0.7
123.01002	0.3
132.02191	0.9
133.02965	1.5
137.06010	0.3
142.28253	0.3
163.00357	1.2
183.04529	1.4
184.05283	0.6
187.04018	0.6
190.99916	4.3
199.03984	2.1
200.04799	3.3
211.04004	2.6
212.04820	0.8
227.03516	5.6
228.04295	4.2
229.04643	0.4
232.03746	0.3
239.03519	3.2
240.04298	11.0
241.04648	1.0
255.02995	6.5
255.06633	0.5
255.16118	0.4
256.03723	2.0
283.02530	6.2
284.03287	100.0
285.03653	6.8
299.05630	56.8
299.14874	0.9
300.02759	0.6
300.05957	4.0
311.71127	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86749	0.2
55.91879	0.2
59.01452	6.2
65.00382	0.6
69.68579	1.5
72.34277	0.3
87.04599	0.8
91.01985	0.4
97.03034	0.5
107.01481	0.4
108.02248	0.7
110.00108	2.9
111.85364	0.3
121.03053	0.4
123.00930	0.5
127.07758	0.3
133.03027	0.5
135.00957	0.7
137.02515	0.3
143.05127	0.3
145.03043	0.5
148.01758	0.9
156.05804	0.3
158.03757	4.7
158.25311	0.2
159.04500	0.6
161.02498	0.3
165.01904	1.3
170.03751	0.3
171.04587	0.5
172.05313	0.3
173.02386	0.4
174.03238	1.4
175.04016	0.4
182.03793	0.7
183.04526	1.6
183.13985	0.5
184.05336	0.8
185.02495	0.6
186.03175	0.4
187.04106	1.1
188.04909	1.1
199.04027	2.6
200.04794	1.0
201.02014	0.4
210.03302	0.6
211.04012	3.1
212.04796	6.6
213.01866	0.4
214.02769	0.9
215.03563	0.8
217.00394	0.3
225.05638	0.2
227.03485	6.2
228.04114	1.7
229.04987	0.3
231.28128	0.3
236.01707	0.3
239.03441	1.6
240.04298	1.0
241.09314	0.2
243.02956	0.8
255.03004	9.3
255.06879	0.4
256.03784	100.0
257.04126	6.6
266.02127	0.3
267.02905	0.4
271.02530	6.4
271.06113	20.1
272.03128	0.5
272.06473	1.7
281.17621	0.4
283.02435	1.1
284.03278	32.2
285.03622	2.5
299.02048	8.3
299.05566	56.7
299.18637	4.7
300.02429	0.8
300.05905	5.1
300.18958	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0564
Annotation	5,7,2'-Trihydroxy-6'-methoxyflavone
Peak:m/z	Relative Intensity
59.01379	0.9
65.00333	33.3
66.00668	0.9
68.99814	0.6
70.58852	0.7
70.59193	1.5
76.16051	0.5
89.00336	8.6
91.01903	6.3
93.03466	0.8
94.00654	0.7
97.02962	23.1
98.03294	0.8
117.31212	0.7
118.30946	0.6
120.35770	0.6
121.02975	9.7
133.02965	6.0
147.04512	0.6
149.99602	9.8
151.00360	0.8
155.38377	0.5
165.01947	76.2
166.02271	2.6
173.02458	0.6
198.03293	1.0
199.03954	1.8
201.01930	1.8
211.04112	0.7
212.04826	4.8
213.05432	1.0
214.02737	2.7
217.00345	1.8
227.03572	0.9
229.05119	4.4
239.03572	1.8
240.04346	3.4
242.02609	0.5
255.03061	1.8
255.06717	2.0
256.03824	3.4
257.04453	1.1
271.02667	1.1
271.06116	3.0
283.02472	5.6
284.03256	9.2
285.03503	0.7
299.05630	100.0
300.05984	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	299.0564
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
54.23824	0.3
65.00275	0.5
72.85156	0.4
83.01363	0.4
85.85421	0.3
86.01059	0.4
91.01820	0.5
107.01325	0.7
116.28430	0.3
119.05049	2.0
134.17146	0.3
135.00862	1.9
148.00581	0.4
148.01682	6.1
150.03172	1.0
151.00323	1.6
158.03679	1.2
161.02399	0.5
166.26160	0.3
170.03639	0.4
176.01094	1.2
179.03531	0.5
183.04446	1.2
184.05257	0.9
195.04424	0.7
196.05254	0.5
199.03926	1.5
200.04829	2.3
211.04036	3.8
212.04866	2.4
213.01711	0.4
214.02721	0.4
223.03972	0.7
227.01340	0.7
227.03500	9.7
228.04230	2.3
239.03575	3.6
240.04227	1.3
242.02216	0.9
242.72035	0.4
255.02994	7.5
256.03766	11.6
257.04221	0.8
267.03027	1.7
283.02521	7.5
284.03278	100.0
285.03601	6.3
299.05637	91.0
300.05966	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	299.0201
Annotation	Demethylwedelolactone
Peak:m/z	Relative Intensity
54.20986	0.4
56.31616	0.3
59.01394	2.9
65.00328	0.7
69.35610	3.1
88.04047	7.1
89.04408	1.8
91.01882	1.3
107.01399	0.6
113.04008	1.0
117.03466	0.3
117.74560	0.4
123.00876	0.4
127.05538	0.7
129.03467	0.4
131.04985	0.8
133.02916	0.7
135.00912	2.4
139.05562	0.6
141.03462	0.5
143.05054	1.6
143.07188	0.7
145.02940	0.5
147.04510	0.5
151.00438	0.7
153.01892	0.6
155.05058	3.0
157.02979	2.7
159.04553	1.4
161.02452	1.0
163.00374	3.5
164.01146	0.6
165.01982	2.0
169.03017	0.7
171.04572	3.4
173.02478	0.7
174.99261	0.5
175.04012	1.7
177.01990	0.4
182.03719	1.1
183.04529	5.6
184.04822	0.4
185.02405	2.4
187.03999	1.6
188.01126	0.7
189.01961	5.9
197.02502	1.6
198.03215	1.4
199.04025	8.3
200.04681	0.6
201.01955	4.2
203.03511	1.3
209.02499	1.2
211.04083	1.8
212.04840	1.4
213.01955	3.9
214.02536	1.3
215.03502	1.8
217.00386	0.9
225.02028	0.8
226.02698	1.0
227.03499	14.0
228.04079	1.4
229.01491	1.4
229.05165	0.6
237.02022	0.7
237.16972	1.2
238.02753	0.9
239.03539	0.9
240.04274	0.5
242.02197	1.2
243.00484	0.7
243.02986	12.5
244.03348	1.0
253.01459	6.4
254.02058	0.7
255.03046	3.0
255.06767	0.5
255.18239	0.6
256.03741	2.4
266.02359	0.6
267.03040	0.5
270.01709	0.5
271.02496	43.3
272.02795	2.6
281.00903	2.2
281.04016	0.5
281.15897	1.1
282.01743	3.5
283.02209	0.8
284.03336	3.8
285.03693	0.8
298.01245	1.4
299.02023	100.0
299.05588	8.4
299.18640	1.7
300.02362	8.1
300.06079	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.02
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24468	0.3
57.16791	0.3
59.01384	8.3
63.02397	0.7
64.34079	0.3
65.00330	1.7
83.01390	0.8
85.02956	0.5
91.01901	1.5
93.03491	0.5
95.01394	0.6
97.06577	0.4
98.19885	0.7
102.69160	0.3
107.01419	2.4
109.02990	0.6
110.00097	0.4
111.00924	0.6
119.05038	3.1
123.00909	0.5
125.02435	0.4
129.03465	0.5
131.05057	0.4
132.02173	0.4
133.02992	1.6
135.00894	2.3
137.02469	0.6
143.05052	1.2
143.07188	0.8
145.02988	0.7
147.00926	1.4
147.04538	0.4
149.02547	0.4
151.00374	4.3
151.04036	0.3
153.01900	0.4
155.05052	1.1
157.02972	0.9
159.04555	1.1
160.01717	0.5
161.02483	1.0
162.85371	0.3
163.00375	1.3
163.11269	0.5
164.01129	0.4
165.01962	1.0
169.03038	0.4
170.03665	0.4
171.04565	2.2
172.05281	0.5
173.02444	0.7
174.99243	0.6
175.03983	1.5
178.99925	0.4
181.12402	0.6
183.04489	1.7
184.05322	0.5
185.02434	2.4
186.03267	0.6
187.03984	1.7
188.04915	0.5
197.02525	0.5
198.03279	0.6
199.04007	5.0
200.04713	1.8
201.01965	2.2
203.03502	2.5
210.03308	0.4
211.04010	1.8
212.04720	1.6
213.01988	1.0
214.02747	0.9
215.03587	1.7
217.00298	2.2
225.02071	0.5
226.02740	0.6
227.03528	5.9
228.04265	1.3
229.01463	0.8
231.03102	2.4
232.03499	0.4
238.02831	0.7
239.03586	1.0
240.04280	1.0
241.01431	1.2
242.02362	0.5
243.03001	3.2
255.03006	3.6
255.06845	0.6
256.03778	6.1
257.00961	1.0
257.04147	0.3
266.02277	0.8
267.03043	1.4
268.03683	0.4
269.00995	2.2
269.04221	0.3
270.01669	0.4
271.02521	12.6
271.05948	1.0
272.02856	1.1
281.04541	2.8
281.17926	0.5
283.02554	0.6
284.03284	14.5
284.06503	0.7
285.03720	1.3
298.01215	0.5
299.02069	100.0
299.05640	18.8
299.18616	3.8
300.02423	9.0
300.06009	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0201
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
59.01355	0.9
63.02411	2.7
65.00330	3.5
69.15461	0.4
69.32027	0.4
69.32427	3.1
69.63991	0.3
83.01386	2.1
85.22101	0.3
91.01876	1.2
93.03439	0.6
95.01323	0.4
107.01402	6.3
108.02158	0.5
109.02954	0.7
110.00100	0.7
117.03449	0.9
119.05000	0.5
121.02967	0.5
123.00900	0.9
124.01654	0.7
127.05544	0.5
130.04240	0.8
131.05026	0.9
132.02170	0.5
133.02991	2.2
135.00911	7.5
137.02475	3.5
143.05025	2.8
143.07152	0.4
145.02951	1.7
147.00900	0.4
147.04500	1.0
148.01689	4.7
149.02467	3.5
150.03166	0.8
151.00385	10.6
152.00787	0.4
153.01918	0.5
154.04285	0.6
155.05022	1.9
157.02950	1.7
158.03734	1.3
159.04523	2.8
161.02472	3.9
161.06067	0.5
163.00386	1.2
163.04019	1.0
164.01106	0.4
169.02936	0.7
170.03749	0.4
171.04512	4.2
172.05287	0.5
173.02454	1.7
174.03230	1.6
175.04007	2.8
176.01131	1.2
177.01959	1.1
182.03731	0.7
183.04527	3.7
185.02382	2.3
186.03233	0.5
187.04002	2.9
188.01073	0.6
188.04762	1.0
189.01912	1.7
190.02750	0.8
195.04547	0.7
197.02528	0.6
198.03226	1.3
199.02185	0.5
199.04027	9.7
200.04817	1.7
201.01947	5.4
202.02809	1.1
203.03526	10.5
204.04250	0.8
210.03256	0.4
211.04041	2.9
212.04874	2.0
213.01909	1.5
214.02751	4.2
215.03517	5.4
216.04169	1.6
223.03943	0.6
226.02734	0.8
227.03516	17.3
228.04109	2.7
229.01430	2.1
230.02229	1.7
231.03012	6.3
232.03778	8.8
239.03613	2.1
240.04303	0.9
241.01454	0.5
242.02190	0.9
243.03004	18.1
244.03545	1.4
245.16350	0.4
253.01427	0.8
255.03003	7.0
256.03775	4.8
267.03061	1.3
271.02499	100.0
272.02924	8.4
283.02481	4.4
284.03293	59.9
285.03601	4.0
299.01987	97.9
299.05618	53.1
299.18613	1.2
300.02725	26.7
300.05954	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	298.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74872	0.5
59.01385	7.7
71.09466	1.2
86.06120	0.5
88.04050	100.0
89.04405	1.5
91.77957	0.4
102.02866	0.4
116.50701	0.4
149.09674	0.6
165.12889	1.4
174.99275	1.9
183.04594	0.5
192.17647	1.6
199.04025	1.1
200.04863	0.7
208.16989	0.5
211.04008	0.6
212.04575	0.5
213.02138	0.6
214.02621	0.5
217.00323	5.3
227.03508	1.3
236.16570	17.1
237.16882	1.3
240.04182	0.6
243.02852	0.6
243.14684	0.5
254.17667	5.5
256.03836	1.1
271.02524	3.0
280.15536	11.8
281.15994	0.8
283.05716	1.4
284.03323	3.1
298.04688	1.1
298.16623	28.8
299.01999	8.9
299.05615	4.5
299.08920	0.7
299.18564	4.1
308.75446	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0201
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
53.26687	0.4
59.01233	1.4
59.01565	1.0
59.44550	0.4
61.12332	0.4
63.02247	3.0
63.02620	1.8
65.00172	4.4
65.00560	2.3
70.99410	1.0
71.12759	0.4
82.05843	0.4
83.01217	1.0
89.00159	1.2
91.01729	1.3
91.02255	0.6
93.03324	0.4
97.02769	1.8
97.03436	0.7
98.40524	0.4
103.10676	0.4
107.01212	3.4
109.02773	4.7
115.05389	0.8
117.03312	0.6
119.01244	0.8
119.04839	1.8
121.02760	1.3
121.03526	0.4
124.01482	0.5
129.03322	0.4
131.04881	0.5
132.45526	0.4
133.02777	8.6
135.00710	1.1
139.03757	0.4
143.04851	3.8
145.02852	0.9
147.00749	0.6
147.04521	3.4
149.99516	0.8
151.00197	5.3
155.04848	1.4
157.03008	2.4
159.04398	1.1
161.02400	0.5
161.05882	0.4
163.03867	0.8
165.01945	8.9
166.02040	0.4
169.02777	0.7
170.03601	0.6
171.04527	6.9
172.04767	0.9
173.02429	1.8
174.99121	0.6
175.04034	4.3
176.04417	0.4
177.01866	0.3
182.03636	1.0
183.04407	1.2
185.02382	0.5
187.04025	3.9
189.05440	0.6
197.02318	1.2
198.03224	2.6
199.04028	14.4
200.04283	0.8
201.01953	5.6
203.03416	1.1
212.04697	0.7
213.01746	0.6
214.02620	1.4
215.03523	5.9
217.00299	2.9
225.01761	0.5
226.02689	2.9
227.03520	6.8
228.03795	0.6
229.05110	0.5
240.04172	0.5
241.01212	0.4
241.05054	0.4
241.39961	0.4
242.02254	2.2
243.03024	6.7
244.03307	0.5
255.02962	1.2
256.03632	0.7
271.02505	78.7
272.02856	6.2
281.17096	0.4
282.01776	1.3
283.02408	1.0
284.03375	3.1
299.02072	100.0
299.05676	16.5
300.02441	7.7
300.06012	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01113	0.9
59.01388	8.7
63.02410	1.9
65.00338	3.0
66.23837	0.6
68.99859	0.6
69.63690	3.5
69.64108	1.2
76.14913	0.7
76.37973	0.7
84.25876	0.7
85.02960	2.6
91.01866	0.8
107.01408	5.2
109.02982	1.1
117.03468	0.8
121.78524	0.7
131.05109	0.7
133.02972	1.8
135.00870	6.6
137.02486	5.0
141.03564	0.7
143.05040	2.9
145.02939	0.9
148.01697	1.3
149.02458	3.5
151.00395	9.3
155.05048	2.4
157.02960	2.1
159.04521	2.7
160.05185	0.7
161.01315	0.6
161.02432	4.0
161.06107	0.7
161.41496	0.6
171.04579	4.4
172.68236	0.6
173.02354	0.9
175.04066	2.5
183.04533	3.1
185.02437	1.6
187.04015	2.5
189.02054	1.4
195.04518	0.7
195.13943	1.7
198.03163	1.2
199.04033	8.4
200.04726	1.3
201.01952	4.6
203.01805	0.7
203.03432	3.5
206.54974	0.7
211.03987	3.0
213.01947	1.4
213.05637	0.6
215.03493	5.2
216.83469	0.7
217.00360	1.3
226.02667	0.7
227.03545	10.9
228.03979	1.3
229.01430	1.5
231.03044	4.1
232.03691	1.0
236.65016	0.8
239.03632	4.7
240.04262	0.8
241.05135	1.5
243.03004	18.2
255.03000	5.8
256.01215	1.0
256.03772	8.1
263.85233	0.7
267.03143	1.5
268.03741	3.1
269.04538	4.3
271.02515	97.7
271.05823	3.0
272.02850	7.9
283.02414	1.0
284.03323	17.0
285.03577	1.1
299.02008	100.0
299.05627	21.1
299.09192	2.4
299.18744	5.1
300.02512	9.0
300.05792	1.2
318.54895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1712
Annotation	Tetranor-PGD1
Peak:m/z	Relative Intensity
58.35236	0.9
59.01389	12.8
69.89545	2.2
69.89951	2.7
71.01392	2.8
73.02983	1.1
89.02477	2.2
98.20703	1.1
101.02466	2.7
113.02461	1.5
113.88316	0.8
119.03545	1.5
119.05035	7.9
121.43572	1.1
133.06599	3.2
135.00897	1.1
135.06589	1.0
160.22575	0.9
161.02486	1.8
161.04671	1.5
161.06079	1.9
177.01900	2.3
195.04451	1.1
200.04726	1.4
201.05650	1.4
211.03932	1.4
216.61508	0.9
223.03978	1.0
225.05505	2.6
226.02884	1.3
235.16949	1.2
237.09773	3.4
239.03508	3.5
241.26993	1.0
253.18115	100.0
254.05786	0.9
254.18486	7.4
258.50391	1.1
261.14929	1.3
267.03012	4.1
268.03799	1.5
269.01105	1.0
269.04538	2.9
279.16037	5.3
282.02063	1.7
282.05319	11.2
297.00665	1.7
297.04065	10.2
297.07706	10.5
297.11469	2.2
297.17188	21.8
297.20590	1.2
297.24368	5.6
298.04895	7.1
298.07773	1.6
298.17371	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1194
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01884	2.1
56.76399	0.9
57.00452	0.9
57.03455	1.9
58.00591	2.1
59.01384	100.0
59.24134	0.8
59.93740	0.8
65.73883	0.9
66.95841	0.8
70.85641	0.9
71.01387	47.0
71.53201	1.3
71.93080	0.8
72.01741	1.0
72.99321	2.2
73.02958	6.3
83.01395	2.7
85.02960	11.7
87.00860	2.2
89.02451	52.7
90.02798	1.2
90.05044	1.0
95.01392	3.3
99.00880	2.6
101.02450	32.9
113.02457	17.6
114.02801	1.6
119.03510	20.1
123.27573	0.9
131.03479	1.4
135.06650	19.9
143.03479	4.8
149.04579	2.1
161.04582	12.6
171.01537	2.1
179.05617	11.4
237.09824	7.1
249.02969	0.9
271.26767	0.9
276.86841	0.8
282.05371	1.8
297.11926	25.0
298.12039	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0773
Annotation	Robustaquinone B
Peak:m/z	Relative Intensity
59.01385	8.2
71.01456	1.6
73.03007	0.5
82.72661	0.4
85.03005	0.7
89.02508	1.1
94.66737	0.5
101.02509	1.3
105.44662	0.4
109.02948	0.8
113.02524	0.5
132.02266	0.8
135.06676	0.8
141.03537	0.7
143.05092	0.7
147.00868	0.5
151.21907	0.5
155.05080	1.6
161.04568	0.5
167.05113	1.6
182.03705	0.9
183.04523	4.4
185.02403	0.8
195.04538	16.2
195.06287	0.8
196.04866	0.8
197.02324	0.7
198.03448	0.5
210.03294	0.8
210.07024	1.0
211.04030	14.2
211.20680	0.6
212.04410	0.6
213.01903	0.8
223.04073	2.7
225.05635	0.9
226.02788	3.0
237.09808	0.6
238.02779	1.2
239.03532	59.1
240.03893	3.6
241.05244	0.6
253.01334	0.7
253.05112	0.7
254.05881	31.5
255.06259	1.9
263.60654	0.5
266.02216	2.1
267.03027	13.8
268.03302	0.9
269.00937	1.7
269.04654	2.5
281.01050	1.1
281.04459	1.4
282.01886	6.7
282.05359	100.0
283.02402	1.0
283.05713	6.8
297.00485	2.2
297.04129	6.7
297.07687	79.3
297.16983	1.6
297.24332	1.0
298.01163	0.9
298.04654	0.8
298.08014	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	297.113
Annotation	Enterolactone
Peak:m/z	Relative Intensity
57.03493	2.3
59.01390	32.3
71.01384	9.2
71.54696	2.7
79.05537	4.4
83.39069	2.0
85.02959	2.6
89.02462	6.8
93.03475	5.3
97.93901	2.0
101.02450	7.6
105.03416	2.0
109.06595	7.8
112.92476	2.2
113.02439	2.8
116.33042	2.1
117.03490	6.3
119.05058	15.7
121.02928	5.0
133.06609	6.4
135.00859	2.4
135.06665	2.5
142.52597	2.6
143.05043	37.3
149.00974	2.7
149.02437	2.4
157.06618	4.0
161.04579	4.9
161.06010	4.2
177.01912	3.6
179.05675	2.4
183.04500	3.2
185.06104	76.9
186.06380	4.2
187.04022	2.4
195.04559	2.3
197.06123	5.0
210.06767	2.8
211.03960	2.9
211.11247	4.5
226.02654	3.9
237.09775	6.5
238.10022	3.0
239.03442	9.0
253.12367	100.0
254.05806	2.3
254.12621	8.3
266.02368	2.2
267.02966	12.2
282.02075	4.4
282.05322	23.9
297.04120	18.4
297.07712	21.3
297.11343	85.9
297.20917	5.1
297.24371	14.1
298.11560	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	297.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29524	0.5
55.01883	0.4
55.06612	0.4
59.01382	1.8
59.43834	0.4
60.30130	0.4
69.11662	0.5
71.01394	0.6
77.03970	0.9
93.03477	1.9
94.27130	0.4
95.04993	0.8
98.20657	1.5
104.58440	0.4
105.03471	12.3
107.05042	0.6
117.03497	0.9
119.05040	100.0
120.05379	3.5
121.02974	14.6
123.04533	2.1
133.02975	8.7
145.02979	1.5
149.02463	19.6
150.02733	0.5
154.43884	0.4
163.03976	1.0
165.02339	0.4
167.03531	1.7
177.01949	54.0
178.02280	2.2
191.03580	0.9
195.03000	12.6
213.01933	0.7
214.96951	0.5
223.07730	0.6
227.07051	0.6
269.00912	1.4
269.08249	1.1
282.01807	0.6
297.07697	70.9
298.08038	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	297.0408
Annotation	Kanzakiflavone 2
Peak:m/z	Relative Intensity
51.37138	0.3
54.96168	0.3
59.01302	4.2
59.01619	0.8
59.75916	0.3
67.98048	0.3
68.55869	0.3
71.01300	1.3
71.01662	0.3
71.54559	0.4
73.02867	0.4
85.02885	0.3
89.02351	1.0
101.02396	0.8
105.27113	0.3
113.02354	0.4
119.03439	0.6
119.04924	1.3
133.06497	0.8
133.81502	0.3
135.06558	0.3
154.04233	0.3
154.06322	0.7
156.02109	0.5
156.11674	0.3
161.04533	0.5
161.06017	0.7
165.12955	0.3
168.08496	0.3
170.03764	3.6
172.01611	0.7
172.88489	0.3
177.01863	0.6
182.03668	1.3
194.03743	3.9
195.13928	2.7
196.01604	0.7
197.02304	0.3
198.03276	2.8
210.03203	0.8
211.03949	0.7
214.02713	1.3
226.02823	2.7
229.05008	0.8
237.09753	1.0
238.02750	4.3
239.03453	2.3
239.12903	0.8
240.00562	0.5
241.04965	0.4
253.01489	2.6
254.02173	3.1
254.05873	0.5
267.02951	1.6
269.04489	0.7
281.00818	0.6
282.01736	100.0
283.02081	7.8
297.04095	29.7
297.07657	3.2
297.11655	1.8
297.15070	0.5
297.20673	0.9
297.24365	2.5
298.04453	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	297.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31494	0.3
55.61536	0.2
59.01324	1.4
61.39726	0.2
63.48502	0.2
66.92371	0.3
69.93606	0.4
69.94005	0.6
71.01335	0.4
72.34739	0.2
83.33052	0.2
89.02410	0.5
89.79455	0.2
90.30659	0.2
90.88645	0.2
91.01848	0.6
101.02429	0.3
109.02907	0.4
110.00047	0.3
119.04980	0.5
133.06642	2.1
134.20731	0.2
135.00836	0.9
137.06091	1.3
153.01978	0.6
154.04208	0.2
161.06116	1.2
163.00330	0.3
182.03702	0.8
198.03166	0.3
223.04083	0.2
225.01949	0.4
226.02747	1.6
227.03453	1.0
237.84258	0.3
238.02611	0.3
239.03456	0.4
252.45911	0.3
253.01491	4.3
254.02098	0.9
254.05707	0.3
254.09322	0.3
255.02937	0.8
265.10730	0.2
267.02972	0.3
269.04547	0.3
269.11908	0.3
280.97791	0.5
281.00961	14.9
282.01733	100.0
283.02081	8.2
297.04105	33.1
297.07574	1.8
297.11386	0.8
297.24429	0.7
298.04474	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	297.0408
Annotation	2',7-Dihydroxy-4',5'-methylenedioxyisoflavone
Peak:m/z	Relative Intensity
55.24406	0.6
56.54453	0.6
59.01386	10.1
59.63599	0.6
63.02395	2.9
65.00336	2.3
65.88198	0.6
71.01383	1.9
78.29949	0.6
83.01405	0.9
85.02969	0.9
89.02473	2.1
91.01911	1.9
95.01375	0.7
101.02460	2.0
107.01399	2.5
112.73664	0.7
113.02459	0.9
117.03432	1.1
119.05056	3.3
121.02933	0.8
122.73138	0.6
132.02187	0.7
133.02988	7.2
135.00897	1.5
135.04535	2.0
135.06705	0.9
148.01591	0.7
157.02971	0.9
159.04514	2.3
161.02467	1.9
161.04604	1.1
169.06604	1.2
171.04608	1.1
177.01978	1.3
179.05707	0.7
180.05865	1.0
181.06613	2.2
182.03676	0.8
183.04558	2.7
195.04475	1.1
196.05270	1.3
197.06038	1.6
199.04019	1.1
201.05617	1.4
211.04001	3.2
223.03995	0.9
224.04843	2.0
225.05611	1.8
227.03368	1.0
237.09908	2.0
239.03510	4.5
240.04285	1.9
241.05061	3.4
267.03024	5.4
268.03757	4.7
269.04562	35.3
270.04883	3.1
282.02185	1.4
282.05341	8.1
295.02457	2.0
297.04074	100.0
297.07574	6.2
297.21231	0.9
297.24371	3.8
298.01263	1.2
298.04410	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	297.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42220	0.3
55.47190	0.4
59.01121	0.6
59.01389	8.4
65.03983	0.3
71.01369	0.8
74.77363	0.3
85.02953	0.7
91.01904	9.9
93.03475	2.6
95.01394	0.7
101.02448	0.5
109.02956	1.8
111.08183	0.9
113.02451	0.5
117.03461	0.8
119.01369	0.5
121.02978	0.4
133.02957	4.2
134.99925	0.6
135.00894	7.9
139.05531	1.0
141.07103	0.5
147.00903	2.8
147.70079	0.4
149.02525	2.0
153.01935	2.4
153.07138	0.9
155.05025	1.0
157.06593	1.0
158.03709	0.6
160.01695	0.5
161.02464	2.7
162.02713	0.4
167.05060	0.7
169.03000	0.4
169.06621	1.7
171.04523	1.0
173.05975	0.5
175.00346	1.2
177.01939	2.8
180.05795	1.6
181.06561	2.8
182.03755	1.8
183.04491	3.1
185.02469	1.5
195.04553	2.3
196.05289	1.4
197.06076	4.8
198.03307	2.3
199.04024	3.3
201.01950	0.7
201.05551	1.5
202.99953	0.5
207.04533	4.8
208.05080	0.8
210.03264	1.3
211.04050	2.6
213.01976	0.5
213.05608	1.7
223.04085	1.8
224.04793	5.1
225.05568	15.7
226.02704	3.4
226.06004	0.9
227.03494	2.5
229.05122	0.4
237.09901	0.5
239.03563	1.4
240.04198	0.9
241.05035	3.3
244.55936	0.5
251.03487	1.1
253.05148	2.1
254.02220	1.0
254.05641	0.5
255.02963	0.5
267.03000	1.9
268.03781	6.4
269.04553	22.5
270.04953	1.8
281.01007	0.8
282.01761	3.8
282.05334	2.3
283.02078	0.5
297.04062	100.0
297.17139	1.3
297.24371	1.2
297.27576	0.4
298.01007	0.3
298.04367	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11437	0.4
59.01388	2.6
69.27909	1.6
69.28335	1.7
71.01406	0.9
72.52502	0.4
88.04042	2.9
89.02464	0.6
108.02206	1.0
116.02732	0.5
117.03477	2.0
130.04274	3.3
132.02214	0.5
133.03004	0.5
135.00937	0.8
135.04520	0.4
137.06088	0.6
141.03484	1.5
144.95598	0.4
145.03029	2.1
146.03883	0.5
153.07176	0.4
154.04271	5.9
157.03036	0.6
158.03751	10.0
160.01689	5.8
161.02475	5.3
161.04488	0.5
163.00305	0.5
165.12856	0.6
169.02959	5.2
170.03738	1.2
173.02460	1.8
174.03284	0.9
182.03740	12.1
183.04181	1.0
185.02454	5.0
186.03235	2.7
187.00403	3.5
188.01163	0.5
189.01930	0.9
197.02434	3.6
198.03249	20.2
199.03682	1.1
201.01973	0.7
202.02740	8.7
202.04460	0.7
209.02487	0.7
210.03267	1.7
211.04008	0.5
213.01917	2.7
214.02803	1.1
225.02026	1.0
226.02748	45.0
227.03110	3.1
229.01520	1.5
230.02190	1.0
237.01964	0.4
237.09650	0.4
238.02754	1.3
239.03503	0.6
242.02257	0.6
253.01534	1.1
254.02226	10.2
255.02547	0.7
257.00995	0.7
258.01743	0.5
265.01471	4.8
267.02975	0.6
280.97800	0.8
281.00964	23.8
282.01730	55.9
283.02066	4.1
297.04086	100.0
297.24390	1.0
298.04398	8.5
298.16797	1.2
302.79260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.6
57.03450	2.4
58.00598	3.9
59.01387	100.0
60.01710	1.0
71.01390	44.3
71.05002	1.6
71.53372	1.0
72.99314	3.1
73.02951	1.9
75.00874	2.3
77.20175	0.9
79.64998	1.0
81.33265	0.9
83.01403	2.1
85.02966	9.9
87.00913	1.8
89.02455	56.3
95.01395	3.6
101.02453	32.1
113.02460	18.4
115.04035	4.6
119.03514	25.3
131.03462	1.1
133.05119	4.9
143.03505	2.0
149.04602	1.7
161.04608	0.9
169.60129	0.9
179.05682	2.2
295.10364	98.7
296.10742	4.5
298.96515	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96090	0.9
55.01900	1.5
57.03442	3.0
58.00580	4.0
59.01386	95.4
60.01709	1.1
64.60133	1.0
71.01391	56.1
71.53764	1.1
72.99318	5.6
73.02934	3.3
75.00868	1.5
83.01392	2.9
83.05029	5.0
84.39514	0.9
85.02956	12.9
87.00895	2.3
89.02453	60.3
95.01385	3.7
99.00835	1.1
101.02451	36.9
103.99988	1.0
107.05071	1.2
113.02460	19.3
115.00356	2.3
115.04008	2.4
119.03513	27.4
119.04916	1.8
121.06632	1.9
122.03770	1.4
127.04029	1.5
131.03561	1.6
133.05063	3.9
143.03531	2.2
149.04523	1.3
157.71643	1.0
161.04546	5.6
163.11266	4.0
164.05777	2.1
175.11282	9.9
179.05598	2.6
180.06667	1.8
187.11308	1.8
205.12347	14.0
222.21877	1.2
240.70686	1.0
245.43912	0.9
277.08200	1.7
295.10330	100.0
296.10498	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2282
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
50.36230	1.2
52.95932	1.2
59.01141	1.1
59.01386	10.6
70.09405	5.1
71.01380	1.5
77.48856	1.2
88.22675	1.1
90.14227	1.2
101.02441	1.1
105.81538	1.1
111.08143	1.4
113.09725	2.7
116.05180	1.0
117.96177	1.4
119.05032	10.8
124.79353	1.4
130.36966	1.2
131.01419	3.1
139.07729	2.0
157.08722	71.6
158.09100	2.4
175.00371	6.9
175.65074	1.1
182.04129	1.3
189.01874	2.1
195.13943	6.2
224.23863	1.2
273.16299	1.1
277.21756	61.6
278.22189	6.6
295.06271	6.3
295.09137	1.4
295.22812	100.0
296.23151	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	295.228
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
51.39815	0.6
53.74314	0.5
57.62990	0.6
59.01390	2.1
63.08598	0.6
71.31185	0.9
95.17194	0.6
97.85870	0.6
99.08182	1.1
119.05042	1.5
137.70853	0.6
141.12837	0.8
147.74574	0.6
164.38776	0.6
171.10284	30.9
172.10661	0.6
183.10312	1.3
189.17085	0.6
195.13892	4.6
248.60307	0.6
277.21756	44.9
278.22110	3.5
295.22809	100.0
296.23157	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	295.2282
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
59.01395	0.8
62.49898	0.3
65.53386	0.4
66.31714	0.3
66.76305	0.3
69.03442	0.4
77.74873	0.4
83.05064	0.4
97.06598	0.5
98.20763	0.8
98.95614	0.7
99.08163	0.5
107.46243	0.4
109.06605	0.6
127.11317	0.8
131.78625	0.4
139.11281	0.5
141.12871	9.5
155.14426	4.0
167.14490	0.5
186.84560	0.4
191.18053	0.5
219.21100	0.4
249.22243	10.1
250.22620	1.2
277.21716	0.6
295.22806	100.0
296.23166	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	295.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.6
57.08413	0.5
59.01384	5.1
60.81907	0.6
69.03467	1.0
71.01393	0.9
79.11962	0.6
83.05035	0.7
92.15810	0.6
99.08189	0.5
119.05019	1.0
125.09753	1.6
127.11319	1.0
139.11307	1.1
141.12885	1.2
151.11276	0.7
155.14444	2.5
171.10291	42.9
172.10611	1.5
183.10245	3.0
195.13911	1.5
213.18671	1.0
251.23857	2.3
253.21539	0.6
267.06662	0.7
277.21747	48.5
278.22064	4.4
291.83664	0.6
292.95169	0.6
295.22812	100.0
296.23178	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	295.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93237	0.8
54.07655	0.8
55.01881	1.6
57.03452	1.8
58.00594	3.4
59.01387	100.0
60.01721	0.8
70.45270	2.6
70.49318	0.9
71.01390	46.9
72.99312	3.0
73.02946	2.3
75.00870	2.1
83.01384	2.5
85.02952	9.7
85.52625	0.8
87.00882	2.5
89.02456	59.2
95.01394	2.5
101.02451	37.1
113.02454	14.4
115.04008	3.8
115.63313	0.9
119.03516	26.7
120.03886	1.1
121.37096	0.9
131.03557	2.1
133.05124	4.6
143.03511	2.8
149.04605	1.5
161.04564	2.1
179.05614	2.9
260.76974	0.8
295.10367	97.0
296.10657	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	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	3.2
67.41189	2.0
70.28716	6.4
71.91527	1.7
75.84244	1.7
78.24008	1.9
82.24550	1.6
84.70422	1.6
85.01555	1.9
86.54081	1.9
106.60950	2.1
121.10249	44.9
137.58545	1.7
171.10286	83.5
183.13873	2.1
185.11900	3.3
221.15491	2.7
231.21179	5.2
275.20184	100.0
276.20493	8.2
293.17966	3.9
293.21262	61.4
294.21521	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	293.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.1
59.01373	3.5
63.50001	1.2
67.57426	1.2
70.99883	2.3
71.01372	1.4
71.05020	5.5
96.96063	1.8
97.06591	1.4
113.09725	2.3
131.00023	1.4
155.62614	1.2
166.12912	1.3
188.27089	1.2
220.14696	4.9
221.15483	9.0
223.17029	6.6
231.21114	1.7
235.14664	2.1
235.17030	38.1
236.10559	5.2
236.17371	2.2
251.16476	1.3
268.68137	1.3
275.17365	2.6
275.20190	35.1
276.20474	4.2
293.09006	10.1
293.21249	100.0
294.21616	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	293.2128
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
50.71728	0.5
51.25294	0.5
57.03441	0.7
59.01375	0.7
62.88406	0.4
69.03446	0.5
71.01383	1.2
71.54819	0.7
72.99334	0.8
83.05022	0.6
85.06617	0.5
89.02460	0.7
96.96011	2.5
113.09719	1.6
123.08198	0.6
125.09727	1.4
139.11307	3.1
153.12816	1.8
179.07126	0.6
191.18042	3.2
192.11601	1.8
193.15912	1.5
205.12297	1.0
220.14735	7.0
221.15495	12.0
224.14259	1.2
236.10532	8.3
247.20709	2.1
275.20142	1.0
293.21249	100.0
294.21591	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	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.3
61.98830	0.9
69.50901	3.7
69.96467	0.6
71.01380	3.4
73.41592	0.6
96.96009	1.6
127.07586	0.9
135.11847	0.8
136.08945	2.0
152.91763	2.0
157.08740	1.5
157.33159	0.7
190.29108	0.7
192.11560	3.5
193.16011	3.2
205.12341	1.7
209.15489	1.3
220.14722	8.8
221.15474	16.7
222.15799	0.8
222.64340	0.6
231.21243	0.7
232.87573	1.0
233.15424	0.6
236.10556	11.3
237.11000	0.7
249.18558	3.5
263.20184	13.8
264.20520	0.9
265.21848	1.0
270.78400	0.7
275.20178	41.8
276.20563	4.5
283.09335	0.7
291.19598	0.8
293.21243	100.0
294.21533	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	295.0615
Annotation	4-Acetylchrysophanol
Peak:m/z	Relative Intensity
59.01392	8.4
71.01396	0.9
71.54536	1.5
75.02380	1.4
85.21910	1.1
93.03512	1.1
103.01903	9.6
114.10745	0.9
117.03498	1.5
117.21546	0.9
119.01383	1.1
119.05043	89.3
120.05375	2.1
121.02955	3.0
131.01407	36.5
132.01746	1.6
133.02980	1.4
145.02988	6.8
147.00874	1.2
148.01653	1.5
149.02458	3.7
152.86011	0.9
167.04996	1.4
175.00381	45.6
176.00652	2.6
188.01053	1.5
189.01949	6.2
190.98129	1.1
193.01405	7.0
195.04478	1.2
198.98558	1.0
209.06146	1.6
211.03967	3.2
223.03970	1.4
239.03433	3.1
251.07133	1.8
252.07841	1.7
253.05072	5.3
264.52466	1.0
266.02139	6.2
267.02991	5.7
295.02551	16.5
295.06085	100.0
295.22791	1.2
296.03308	1.5
296.06467	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	293.1398
Annotation	Pyrethrosine
Peak:m/z	Relative Intensity
59.01387	1.6
61.98843	1.3
65.00333	4.4
65.03979	2.0
70.57633	0.7
71.01389	1.5
79.05521	2.0
85.02972	0.7
87.00879	1.2
89.02467	1.0
96.96008	2.2
101.02502	0.9
105.07113	15.5
107.05046	6.9
109.06600	32.2
110.06911	1.1
112.47109	0.8
133.06618	3.0
149.13164	0.8
152.91782	2.4
153.05554	1.1
157.21078	0.7
161.04674	0.9
173.13396	7.0
177.01932	1.3
181.05080	56.0
182.05449	1.6
183.42482	0.8
186.73033	0.9
194.92894	1.2
217.12360	6.5
221.15581	2.1
224.06956	0.9
232.87477	2.3
236.10646	0.9
250.88559	1.4
261.11282	8.0
293.13977	100.0
293.21103	3.4
294.14307	9.2
294.17227	1.5
302.51709	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85633	0.2
52.05709	0.2
70.55175	0.7
71.01390	8.8
73.77621	0.2
93.95349	0.2
94.35832	0.2
127.07684	0.8
138.11028	0.3
148.05310	1.6
149.06076	0.3
151.07669	0.4
164.08453	1.4
177.09225	6.4
178.09552	0.3
190.09958	0.3
192.11578	7.6
193.12090	0.6
194.92729	0.4
205.12347	8.7
206.12706	0.4
207.13921	1.0
212.43794	0.3
217.08864	0.5
218.09442	2.0
220.14700	51.1
221.15474	100.0
222.15800	7.1
232.02576	0.3
235.13371	1.2
236.10548	70.1
237.10918	4.9
278.05768	0.3
293.08273	0.3
293.17599	7.3
293.21008	0.3
294.17996	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44775	7.3
70.82302	0.9
76.74042	0.9
108.51971	1.0
120.49822	1.0
195.13943	11.8
205.12321	1.5
223.13422	13.7
228.13737	1.8
256.13208	4.9
275.20187	9.0
293.21262	100.0
294.21564	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.4
59.01392	4.5
67.01886	0.3
69.42393	2.3
71.01358	0.4
75.80318	0.3
97.06593	0.9
108.39681	0.3
123.08192	0.9
125.09736	4.2
141.12865	1.4
146.15321	0.3
148.47054	0.3
149.09720	1.8
167.14455	0.3
185.11847	9.5
197.11810	2.5
220.14714	1.2
221.15477	2.6
236.10626	2.1
249.22235	1.0
275.20355	1.0
293.21252	100.0
294.18213	0.6
294.21579	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	293.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.8
57.03460	9.5
58.00573	0.4
59.01386	10.1
68.99839	0.7
70.84032	0.4
70.84361	0.7
71.01393	7.7
72.99323	4.1
73.02931	0.5
75.00886	0.4
83.01400	1.7
83.94623	0.4
84.02174	2.3
85.02962	100.0
86.03302	1.8
89.02457	5.2
96.22069	0.4
98.14182	0.4
99.00906	0.4
101.02450	2.2
103.00400	1.1
113.02451	1.7
117.03474	5.4
119.03481	1.9
119.05030	2.9
129.01947	0.6
131.07185	0.4
132.03111	0.6
135.04549	0.7
137.02530	0.4
145.02966	20.8
146.03235	0.4
147.03015	51.7
148.03362	1.4
152.91838	0.5
156.07054	0.4
163.04042	1.1
221.08282	0.4
293.06601	1.7
293.12421	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	293.0883
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
57.97428	1.7
58.00586	3.6
58.14806	1.9
59.01386	89.0
60.48058	1.8
69.03455	9.7
69.60306	10.8
71.01389	90.6
72.99300	5.2
73.02954	36.3
75.00882	3.2
78.69932	1.8
81.03500	4.7
83.01402	7.1
85.02961	16.6
87.00922	2.1
89.02453	100.0
95.01408	7.1
97.02950	20.8
99.00888	36.5
99.01535	2.1
99.04575	2.3
101.02448	37.5
104.04313	1.9
113.02479	6.9
115.04012	11.0
125.02461	43.4
131.03493	7.7
142.41470	2.0
143.03514	10.1
149.04567	7.3
191.05576	13.2
222.75925	1.9
233.06628	14.1
236.10674	2.0
293.08679	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	293.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79403	0.9
55.01880	2.5
57.03458	8.5
58.00598	2.4
59.01389	59.6
71.01389	32.1
71.01785	1.8
71.54008	1.3
72.00919	1.8
72.99318	5.0
73.02946	2.5
75.00886	1.2
75.76697	0.9
83.01392	3.6
84.02171	2.3
84.37473	0.8
85.02962	84.8
85.06594	18.2
86.03313	1.6
87.00890	2.7
89.02458	31.5
95.01396	1.5
97.06625	1.5
100.00406	12.5
100.04036	1.0
101.02456	20.0
104.09536	0.9
109.04099	1.4
113.02465	11.9
113.06109	12.6
115.07665	2.3
117.03502	5.4
119.03532	12.5
119.05044	2.9
125.02473	1.2
127.05132	5.9
127.07691	2.2
128.03561	3.9
131.03531	1.4
131.07161	72.2
132.03044	1.1
132.07465	1.8
133.03973	2.1
137.02426	1.1
143.03528	1.3
144.03043	5.4
145.02985	15.1
145.06213	6.4
145.08772	1.0
147.03012	38.2
148.06313	8.9
159.06628	1.9
161.04625	2.2
161.06009	1.2
164.07219	3.3
173.08191	2.6
175.04007	1.0
179.05652	2.2
203.07393	1.1
257.09436	0.9
275.10602	1.7
293.06976	3.1
293.12469	100.0
294.12851	6.1
299.48654	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.6
60.05027	1.5
67.01895	3.3
70.02988	1.8
71.01400	3.8
72.00919	8.7
72.04559	4.0
82.02995	86.3
83.01386	13.3
83.03327	1.9
83.15855	1.7
84.04546	10.6
85.02933	2.6
89.02444	2.8
91.05563	4.3
93.22547	1.3
94.02981	5.8
98.02488	25.7
99.00911	4.6
100.04067	18.1
103.05544	2.0
110.02485	1.8
111.03281	17.8
118.06673	6.5
118.98920	1.8
119.05061	2.3
126.02002	4.3
127.00351	10.3
131.05154	1.8
135.04514	1.8
144.08229	3.6
147.04544	43.3
148.04886	2.6
153.06400	1.6
156.08144	2.1
159.08157	4.0
164.07182	49.1
184.07698	25.8
185.14537	1.7
186.09248	14.8
202.08762	22.2
212.07327	2.0
230.08234	21.1
234.05347	2.0
238.61075	1.7
246.07747	100.0
247.08000	8.0
248.09323	4.6
249.07388	1.6
274.07233	38.8
275.07669	2.9
292.08322	10.3
292.12073	1.8
293.06784	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1923
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
58.02980	0.7
59.01375	2.1
66.73041	0.5
69.41622	0.5
71.01398	1.1
71.08364	1.1
97.86252	0.6
108.04565	0.6
116.97357	0.5
125.09770	0.7
148.90735	0.5
152.91794	1.5
156.13956	100.0
157.13287	0.5
157.14328	4.4
185.11833	2.4
192.11565	0.9
194.92900	1.4
197.12025	0.6
200.12924	4.8
205.12363	0.9
207.13838	0.7
220.14700	5.9
221.15471	10.8
236.10551	9.1
292.19882	3.8
293.04578	0.8
293.14392	1.0
293.17755	2.2
293.21216	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	292.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04983	0.4
57.23298	0.4
58.02956	0.7
59.01376	1.4
59.34909	0.4
61.84086	0.5
70.64211	0.9
71.01392	1.5
81.98221	0.5
152.91776	1.1
156.13951	100.0
157.14291	4.7
177.09140	0.6
192.11575	0.8
194.92752	0.8
200.12959	5.3
201.13420	0.5
205.12355	0.7
220.14677	6.4
221.15456	10.6
228.78761	0.4
236.10551	8.1
238.36168	0.5
253.71555	0.4
255.39668	0.5
292.19962	2.4
293.17569	1.6
293.21255	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1969
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
55.80126	0.4
57.03438	2.0
61.19523	0.4
69.32559	0.6
69.39605	1.9
69.40022	1.5
77.78202	0.4
83.05025	1.0
92.52253	0.4
93.07101	1.7
97.06593	1.4
98.19777	0.4
110.92662	0.4
111.08190	0.7
119.08707	0.7
121.02951	0.5
121.10246	14.9
122.10600	0.5
123.08184	1.1
125.09741	7.8
135.73065	0.4
141.12860	0.9
142.05624	0.4
147.08206	0.8
160.55124	0.4
171.10269	0.7
185.10248	1.0
185.11841	15.0
186.12141	0.5
197.11850	3.9
209.11847	1.5
211.13400	2.1
216.21980	0.4
223.13423	1.2
247.20755	1.2
273.18628	1.4
291.19681	100.0
292.20023	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	291.197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89694	0.9
59.01385	1.9
62.04749	1.1
71.54716	1.2
73.02930	1.3
76.98600	0.9
83.01400	0.9
83.91437	0.8
95.05031	0.9
97.06609	4.6
121.02955	2.4
137.09703	1.1
148.63402	0.8
171.10268	10.4
172.10646	1.0
174.71422	1.1
207.17592	3.4
247.20689	100.0
248.21049	8.0
249.18605	19.2
250.19046	1.2
263.17804	1.0
291.19696	81.5
292.20126	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	291.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05734	0.6
54.85903	0.7
57.94414	0.6
59.01403	0.8
65.00345	0.8
68.99879	0.9
69.57270	1.1
69.57683	3.8
70.35961	0.7
73.02969	0.9
77.88068	0.7
81.03466	39.4
82.03789	1.1
83.01420	3.2
95.05023	0.9
102.21961	0.6
113.02503	0.7
121.03001	1.9
158.53288	0.7
171.10359	1.2
178.08604	0.7
207.17534	8.4
209.04512	1.2
219.17474	0.7
242.18202	0.9
247.02295	0.8
247.20688	97.6
248.21040	7.7
249.18596	16.2
250.19026	1.3
291.19687	100.0
292.20032	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	291.197
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.90466	0.4
59.01371	1.4
67.76775	0.4
70.85044	0.8
74.37299	0.4
91.34887	0.4
92.48803	0.4
95.05058	0.5
97.06596	0.5
109.06609	0.4
111.08169	0.5
112.54463	0.5
121.02952	1.0
125.06158	0.6
148.08955	1.3
149.09749	0.5
150.10518	0.7
163.11343	1.2
165.12866	20.9
166.13223	1.5
175.11349	0.6
176.12054	0.4
177.12805	0.7
179.14627	0.4
191.14395	0.9
209.04584	1.1
217.15895	0.6
231.06471	0.4
247.20712	10.4
248.21021	0.9
254.72472	0.5
273.15927	0.5
273.18671	6.7
273.45840	0.4
274.19006	0.5
290.97174	0.4
291.19690	100.0
292.20038	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.197
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
59.01383	0.6
67.42942	0.5
70.29688	0.5
71.01411	0.7
73.02955	59.5
74.03282	0.6
96.96030	0.5
121.02979	1.3
151.60759	0.4
171.56444	0.4
209.04617	0.9
291.19705	100.0
292.20023	8.5
294.96265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68030	1.1
51.89215	0.8
56.96616	0.9
66.39212	1.1
69.36919	5.0
69.37330	2.4
93.03467	1.0
93.28327	1.0
106.04262	2.2
107.05023	1.3
121.02983	4.8
122.03751	4.8
123.04530	1.2
130.04272	9.0
143.05029	5.0
144.05803	2.5
145.06609	9.1
157.06532	4.5
158.07243	1.0
159.04588	1.1
159.08182	6.7
161.02486	3.1
161.06087	1.2
162.03192	1.4
165.01955	3.4
171.08156	1.4
177.01871	1.6
183.55835	1.3
187.04041	3.0
202.06477	1.3
215.82523	1.0
222.73091	1.0
227.14452	6.7
245.15475	4.6
271.13425	64.9
272.13803	6.3
289.14493	100.0
290.14832	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	289.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82660	1.9
55.01888	9.6
57.03444	6.1
59.01107	3.5
59.01381	38.2
66.93741	2.2
69.03484	2.0
69.99919	6.5
70.00323	4.7
71.01388	100.0
71.05017	2.1
71.49078	2.0
72.99303	4.0
73.02955	30.8
75.00876	3.7
78.81382	1.8
81.03468	2.6
83.01395	20.5
84.89391	2.1
85.02961	52.7
87.00874	6.2
89.02459	6.0
95.01377	8.4
97.02935	3.2
98.20561	3.3
99.00896	15.1
101.02452	59.9
109.02972	2.5
111.00851	2.3
113.01717	3.6
113.02457	37.2
125.02425	3.2
127.11280	5.2
129.01945	2.1
137.02426	2.4
143.03496	2.9
143.34978	2.2
145.02936	2.2
153.01788	1.8
155.59297	1.9
159.02975	6.4
161.04570	13.3
163.11342	2.2
166.30939	1.9
227.06927	2.3
245.08037	3.1
289.07327	2.8
289.18036	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	289.1812
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
57.03450	1.1
63.30600	0.4
65.12361	0.4
65.52346	0.4
68.99809	0.9
69.03465	0.6
81.03465	9.1
81.07121	0.8
83.01415	1.3
83.05035	7.6
91.32284	0.5
93.03436	0.7
95.05029	1.9
97.06635	0.9
106.04248	0.5
107.05013	0.8
109.06613	2.8
119.05051	0.5
121.03029	0.7
123.08179	17.7
124.08437	0.4
133.06587	0.6
137.09753	0.5
145.06569	0.6
147.08211	1.3
147.39154	0.4
149.09698	0.8
149.13394	0.5
161.09746	0.5
175.14931	0.5
177.12904	0.6
187.15004	0.7
199.85165	0.4
203.14389	1.3
203.18086	3.1
205.15991	39.9
206.16286	3.1
217.16121	1.0
227.18153	1.0
229.59808	0.5
245.19125	55.2
246.19467	4.9
247.17026	6.4
271.13419	2.4
289.18121	100.0
290.15131	0.7
290.18466	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.0
59.01390	3.6
60.67727	0.5
63.09634	0.5
69.62790	3.3
71.01376	0.9
83.05039	1.5
93.03484	0.7
95.05040	1.3
96.82876	0.5
111.08176	13.6
113.09779	0.6
119.57876	0.5
121.02967	0.8
124.71471	0.6
130.06190	0.5
134.78236	0.5
137.09721	1.1
167.10774	3.2
177.12820	2.9
177.46089	0.5
179.10672	3.0
195.13936	9.5
196.14226	1.1
209.04376	0.5
247.20735	3.5
273.18585	2.0
291.19678	100.0
292.20016	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	289.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81662	0.6
58.77777	0.9
59.01403	0.7
69.17963	3.3
69.18387	2.9
70.11187	0.7
93.03477	1.0
95.05025	0.6
98.19964	1.7
106.04270	1.8
108.02125	0.7
109.02988	0.7
109.45844	0.7
121.02982	5.2
122.03757	5.2
123.04491	0.6
130.04256	7.8
132.02242	0.6
133.02959	0.9
135.01221	0.6
143.05058	4.7
144.05806	2.1
145.06607	7.4
149.02397	1.1
150.03276	0.8
157.06598	5.1
159.04584	0.7
159.08127	5.5
161.02446	2.1
161.06026	1.2
162.03264	0.9
165.01941	2.4
171.08241	1.0
173.06058	1.0
177.01955	1.4
177.12772	1.0
187.03998	3.0
190.06462	0.7
202.06284	1.0
227.14430	5.2
243.76067	0.6
245.15385	3.1
271.13422	43.5
272.13754	2.5
289.14490	100.0
290.14771	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	289.1446
Annotation	Platensic Acid
Peak:m/z	Relative Intensity
59.54002	1.1
71.54542	1.8
82.98037	0.9
91.01938	1.0
93.03482	1.6
101.00568	1.0
106.04200	2.0
109.62409	1.1
121.02988	4.4
122.03767	5.2
130.04268	11.4
133.02933	2.2
143.05048	6.3
144.05794	2.3
145.06606	8.9
149.02417	2.2
150.03246	2.9
157.06607	6.1
158.07393	1.4
159.04550	1.6
159.08160	7.0
160.05275	1.2
161.02325	2.0
161.06076	2.0
162.03172	1.2
165.01936	1.9
171.08174	1.3
173.06058	2.2
183.08119	1.4
187.03981	2.3
201.05565	2.2
202.06332	2.4
227.14417	7.3
245.15475	3.4
271.13412	54.0
272.13831	4.6
289.14493	100.0
289.17880	5.6
290.14871	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	289.1086
Annotation	Wentilactone B
Peak:m/z	Relative Intensity
50.18095	0.8
51.02241	0.8
65.03970	2.0
71.01514	1.4
72.99315	1.3
76.28481	0.9
99.98319	0.9
106.67110	0.9
109.02982	2.7
110.50641	1.0
123.04512	1.1
125.02454	1.2
130.04236	0.9
135.04521	2.2
143.08727	1.5
146.03802	5.3
147.04500	1.8
154.99629	1.2
159.04567	6.3
161.02477	1.1
169.06659	1.3
172.05333	3.1
173.06131	2.9
183.04544	2.8
184.05295	4.1
185.06110	2.0
186.06830	1.7
187.03975	3.0
187.07611	4.6
195.08238	1.4
196.05362	2.8
197.04239	2.2
197.06091	43.1
198.06758	6.2
199.07542	1.2
200.04834	1.5
201.05615	5.4
201.09212	6.3
205.01483	1.5
209.06065	0.9
211.07692	7.1
212.08272	1.8
213.09235	100.0
214.09572	6.8
215.07181	2.9
215.10793	2.8
220.03772	1.6
229.08748	4.4
230.09506	3.3
245.11865	29.6
246.12096	1.8
274.03854	1.5
282.53915	1.4
289.07483	1.6
289.10867	22.9
289.14438	2.7
289.18002	2.0
290.05222	5.6
290.11041	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.12
Annotation	Limazepine B1
Peak:m/z	Relative Intensity
57.03445	0.7
57.11753	0.5
58.52648	0.5
59.01391	2.7
60.37327	0.5
64.01940	1.1
67.14799	0.5
68.62768	0.5
70.18909	2.2
71.01392	1.9
78.03478	0.6
80.05066	2.0
82.17049	0.5
82.88231	0.5
83.01400	1.2
85.02969	2.6
90.87663	0.5
92.05070	6.3
94.03011	1.2
94.06630	15.2
95.05063	0.7
101.02483	1.6
103.04294	0.6
104.05087	5.8
105.03473	4.3
106.02987	1.1
106.06639	48.0
107.01422	0.7
107.03794	2.2
107.06983	1.1
108.04578	4.9
110.02498	1.1
113.02420	0.6
117.03500	0.6
119.05061	1.6
120.04580	17.2
121.05380	5.4
122.02505	2.4
122.03767	1.3
122.06139	45.8
123.03284	8.5
123.06492	2.3
124.01659	1.2
124.07700	2.4
125.02482	0.6
130.06567	0.6
131.03827	1.8
132.04578	12.4
135.03297	1.3
136.04085	1.8
138.05630	80.2
139.05962	2.9
140.07159	3.8
145.02998	1.2
147.03130	0.6
148.04082	5.4
150.05624	25.7
151.00415	1.6
151.05948	1.1
152.01151	3.3
152.07205	0.6
158.09738	1.1
159.06934	3.5
163.04097	1.7
164.03528	1.2
166.05083	5.8
168.06682	0.9
172.07741	1.0
173.08432	3.4
174.12938	3.8
174.48180	0.5
184.11337	2.5
186.09286	0.8
187.10057	0.6
188.07233	3.0
189.08020	6.7
197.07224	1.4
198.07982	1.7
199.04984	0.6
199.08673	0.6
200.05978	0.9
200.10959	0.8
202.08731	1.1
202.12389	8.2
203.09537	3.1
212.09564	1.3
213.06639	4.4
213.10287	0.7
214.07384	1.5
215.11914	8.3
217.07452	16.1
218.07857	1.0
218.11847	1.8
226.07536	1.8
227.08272	1.9
227.11858	2.6
228.09019	2.2
229.09843	2.3
231.09018	5.9
231.11440	3.4
238.07619	0.6
241.06207	1.5
241.09860	12.8
242.07002	1.0
242.10165	0.9
243.11404	13.3
246.11403	8.3
246.30287	0.6
253.09961	1.7
256.08496	1.5
259.10947	7.2
260.11136	0.7
271.10907	23.0
272.11255	2.2
274.04886	1.1
289.07419	6.4
289.11981	100.0
290.07574	1.0
290.12350	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	289.0721
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
52.02957	0.6
52.77640	0.6
55.36583	0.6
57.03448	3.9
58.52274	0.5
69.03475	0.7
69.64179	2.8
69.64597	1.5
81.03468	2.7
83.01388	3.5
93.03469	1.7
95.05019	4.8
97.02969	8.5
99.04544	0.9
108.02172	1.3
109.02966	35.1
121.02966	4.3
122.03732	1.8
123.04548	21.8
124.04762	0.8
125.02466	21.1
125.07867	0.7
135.04530	2.8
137.02461	12.5
138.03267	1.0
139.04039	5.9
145.02963	1.3
146.03789	1.2
149.02463	4.5
150.03203	1.2
151.04024	10.9
159.04524	2.4
160.05283	1.7
161.02448	1.5
161.06094	6.0
162.03227	1.6
163.04045	1.8
164.01131	3.5
165.01974	4.9
167.03494	2.1
173.06052	1.1
175.04005	2.9
175.07623	2.5
179.03519	9.1
185.06087	0.8
187.04016	5.7
188.04839	4.2
199.07629	1.0
201.05678	0.9
202.06375	2.3
203.07155	16.4
205.05078	10.5
221.08195	4.1
227.07167	2.6
231.02995	0.8
245.08191	35.3
246.08536	1.6
247.06070	1.9
271.06088	1.4
289.07208	100.0
290.07578	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	289.0721
Annotation	(-)-Epicatechin
Peak:m/z	Relative Intensity
52.77892	0.6
54.62466	0.7
57.03460	6.1
59.01380	2.0
64.31281	0.6
65.03993	0.8
69.03449	1.9
69.78739	0.6
70.94356	1.3
71.01393	0.7
73.04845	0.7
74.97555	0.7
81.03471	5.8
83.01399	6.8
83.05017	0.7
85.02961	3.0
93.03464	4.7
95.01398	1.4
95.05045	7.4
97.02962	13.3
99.04517	1.9
104.38608	0.6
105.03487	0.9
108.02176	1.6
109.02965	50.6
110.03306	1.3
111.04485	1.1
117.03493	0.7
117.10474	0.6
120.01262	1.4
121.02969	7.2
122.03734	2.4
123.00912	0.9
123.04542	37.4
124.04851	1.3
125.02467	34.6
125.09774	0.8
126.02833	0.7
131.05019	0.8
135.04547	3.0
137.02466	21.7
137.03528	1.1
138.03200	2.6
139.04039	7.5
145.02965	2.6
146.03748	2.2
147.04547	1.4
149.02463	7.0
150.03194	2.9
151.00378	2.0
151.04018	17.6
159.04500	6.2
159.06552	0.8
160.05353	3.5
161.02428	2.5
161.06081	8.1
162.03214	3.1
163.04025	1.9
164.01146	6.3
165.01962	7.9
166.02678	1.0
167.03516	4.1
171.10287	3.7
173.06128	1.9
174.03230	1.1
175.04065	4.3
175.07634	4.0
177.05598	1.4
178.99893	1.2
179.03523	10.8
185.06094	1.8
187.04031	7.7
188.04825	6.2
189.05563	0.8
199.07742	0.8
201.05516	1.6
202.06392	4.1
203.03470	0.9
203.07161	21.3
205.05045	12.9
206.05347	0.8
212.04932	0.9
217.05070	1.6
217.08780	1.3
221.08180	6.6
227.07167	3.7
229.04977	0.8
230.05891	1.1
245.04405	1.8
245.08202	39.5
246.08485	1.4
247.06085	2.0
271.06229	1.6
289.07205	100.0
289.12750	3.3
289.16553	4.0
290.07544	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15434	0.6
57.03196	0.6
57.03454	1.7
59.01387	100.0
60.01729	1.0
63.07072	0.5
70.83752	1.8
75.59518	0.6
89.28397	0.7
169.15982	8.2
197.19150	2.5
209.19119	2.4
225.18652	1.0
227.20195	17.5
228.20425	1.1
269.21158	2.5
287.22302	32.5
288.22647	2.9
295.30234	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2232
Annotation	3,16-dihydroxypalmitic acid
Peak:m/z	Relative Intensity
56.68680	0.5
58.48595	0.5
59.01388	100.0
60.01727	0.9
61.98857	0.7
71.53543	0.8
71.53937	0.6
83.05057	1.2
85.06625	1.1
89.60099	0.6
95.90485	0.5
125.02461	0.7
129.01950	0.5
137.02419	0.7
138.75362	0.6
141.12891	1.8
155.14420	2.7
169.15892	0.6
197.19092	0.9
209.19246	0.8
227.20195	11.2
228.20554	0.7
247.67162	0.5
269.21234	1.6
272.31195	0.5
275.00043	0.6
287.04733	1.9
287.22314	54.1
288.22720	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	288.1609
Annotation	Mesembrine
Peak:m/z	Relative Intensity
51.77789	0.2
58.02968	0.3
59.01383	0.3
65.03970	0.3
67.01843	0.3
69.80629	0.8
69.81043	0.6
81.03474	1.9
92.05072	1.5
93.03471	2.2
98.20564	0.3
107.03811	0.5
108.02209	0.5
108.04566	7.6
108.05276	0.5
109.02962	6.9
110.03332	0.3
121.02958	0.5
124.01667	0.4
134.02498	38.7
135.01854	0.3
135.03322	10.7
136.04060	43.1
137.02486	1.8
137.04416	1.3
148.04082	0.9
149.04852	1.5
149.05975	0.3
176.03540	4.3
177.04221	0.4
181.03824	0.4
190.05095	0.4
204.06757	0.3
241.49883	0.3
245.15382	0.4
260.16516	0.5
261.14908	0.2
288.16077	100.0
289.16415	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	287.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79359	0.4
55.01877	0.8
57.03464	0.7
59.01386	65.9
60.01724	0.8
65.00336	1.5
65.03966	1.1
69.03465	0.5
69.53256	0.4
70.54137	0.3
71.01387	0.6
71.05045	0.7
73.50193	0.4
74.83971	0.4
79.05535	0.9
83.05034	11.0
91.01916	1.8
93.03471	2.3
95.05008	0.6
98.20771	0.7
105.03432	0.4
106.04253	3.5
107.05038	5.5
108.02187	1.1
109.02977	1.4
115.05582	0.5
117.03482	1.7
117.07133	1.2
119.05031	1.2
119.08677	0.4
121.02954	2.4
121.06598	1.4
122.03769	1.0
123.08211	0.5
125.02427	0.9
129.07114	0.9
130.04265	9.3
131.05006	0.5
131.08661	0.5
133.02979	3.1
136.01703	0.9
138.03239	2.3
138.35161	0.4
143.05042	10.6
143.08684	0.4
144.05855	3.6
145.02998	2.6
145.06598	9.1
145.10226	0.5
147.08167	3.8
148.01685	0.8
149.02464	1.5
152.01160	0.8
153.01875	0.5
155.08678	0.8
155.14427	2.5
156.05824	1.1
157.06612	4.0
158.07372	1.4
159.04559	1.6
159.08159	5.8
161.02460	21.3
162.02930	1.4
169.06573	0.5
169.15974	1.5
171.08157	2.6
173.06026	0.8
173.09721	6.3
174.10054	0.6
175.04091	0.6
175.07584	0.8
177.01991	0.4
182.25793	0.4
183.08150	0.4
187.04037	2.2
188.04715	1.2
189.09242	0.8
189.12859	0.6
197.19037	0.8
199.07645	1.3
201.05615	1.7
203.07144	0.6
213.12869	0.5
215.07179	1.0
216.07935	3.3
217.08691	5.2
225.12840	1.3
227.20210	9.0
228.20557	0.7
243.13922	12.2
244.14279	1.4
269.11859	1.7
269.21179	0.8
287.12921	100.0
287.22256	24.9
288.13239	9.8
288.22583	2.0
305.13971	14.2
306.14291	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1292
Annotation	Celaphanol A
Peak:m/z	Relative Intensity
57.03467	1.0
59.01384	27.3
66.76907	0.8
70.54142	1.5
70.54510	1.4
71.01398	1.1
73.02947	4.3
85.02959	1.1
97.02971	1.3
116.31204	0.9
117.07092	1.1
125.02428	1.7
129.01945	0.9
130.04288	5.7
132.05843	0.9
151.04044	1.1
151.07654	1.3
156.05826	8.0
158.03743	21.2
159.04230	1.1
162.03210	4.1
162.59518	0.9
164.04738	1.4
169.15996	1.0
170.88382	0.9
172.25404	0.9
185.09789	5.6
187.11316	3.4
188.04820	10.4
190.02707	8.0
198.06851	1.8
211.11302	58.8
212.11674	3.6
213.09230	72.2
214.09621	4.8
222.05289	1.1
227.20097	4.8
232.07396	1.5
245.11880	2.6
247.84589	0.8
255.10280	2.6
264.06342	2.8
269.21329	1.1
287.04700	5.2
287.12924	100.0
287.22250	16.5
288.13293	8.3
288.22763	1.6
305.13992	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	287.1657
Annotation	Dicranenone A
Peak:m/z	Relative Intensity
54.84975	0.5
57.03444	2.5
59.01378	1.7
69.03463	1.6
69.87531	2.3
71.01380	0.8
73.54138	0.5
75.09521	0.5
76.86189	0.5
81.03470	14.5
81.07097	1.4
83.01389	2.0
83.05036	12.1
85.02957	0.9
93.03468	0.8
95.05041	3.0
97.06586	3.4
98.20648	0.7
105.07079	0.7
107.05044	1.3
109.02961	0.6
109.06596	4.5
111.08174	0.9
119.05075	0.6
121.06583	1.6
121.10253	6.5
123.08173	16.0
133.06641	0.9
135.08160	2.5
135.11790	1.6
137.09740	0.6
145.06543	0.9
147.08173	1.0
147.11819	1.9
149.09694	2.0
159.08180	2.2
159.11826	0.6
161.09746	1.3
163.11308	3.8
175.11261	1.5
185.13434	1.0
187.14857	0.9
201.12828	1.7
201.16519	2.4
203.14441	17.2
204.14812	1.2
215.14444	1.2
216.94977	0.6
225.16486	3.9
241.15959	0.7
243.17563	31.8
244.17885	2.5
245.15495	6.2
287.16562	100.0
288.16895	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	287.0567
Annotation	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
50.45894	1.9
57.03443	10.6
65.00352	2.3
67.01866	2.6
69.03479	2.9
71.01334	2.0
71.30614	3.6
71.30949	2.8
77.03956	3.0
83.01405	17.7
91.01897	2.1
93.03466	12.2
95.01355	4.7
97.02957	6.7
97.12017	2.4
107.05021	2.4
108.02191	6.4
109.02976	43.9
111.00964	2.1
111.69218	2.3
119.05029	5.8
121.02965	31.2
123.00938	2.2
123.04487	3.5
124.01699	16.0
125.02465	66.2
131.05031	2.3
133.02945	5.9
135.00813	2.2
135.04558	14.9
137.02470	90.0
138.02916	1.8
145.06604	5.0
146.03810	2.6
147.04536	10.6
148.05313	4.5
149.02460	35.5
149.06087	8.1
150.03232	17.8
151.04021	14.1
154.36922	2.3
155.05101	2.4
158.03731	4.7
158.08266	2.4
159.04543	30.9
161.02452	20.0
162.03246	3.5
163.00349	3.3
163.04050	5.1
164.01190	11.1
165.01953	34.5
166.02449	2.2
169.06526	2.5
171.04550	4.9
172.05310	10.6
172.87149	2.5
173.02441	3.5
173.06111	28.3
174.03217	8.3
175.04028	57.7
176.04620	6.1
177.01962	12.4
177.05588	19.2
182.03748	3.0
183.04538	7.6
184.05142	2.1
185.02449	2.5
187.04062	3.3
188.04782	2.1
189.05582	13.7
191.07112	8.4
192.55554	2.2
197.06062	10.3
197.10976	2.1
199.04018	8.8
200.04773	7.2
201.01894	4.1
201.05595	66.4
203.03552	13.8
204.04184	3.6
206.04715	2.0
213.05573	5.7
215.03645	2.6
215.07216	14.4
216.04141	2.2
217.05110	22.7
219.06625	25.1
224.04826	2.6
225.05627	13.9
226.02724	2.3
227.03464	6.2
240.04539	2.2
241.05193	10.6
243.03008	8.5
243.06642	22.0
244.07066	2.5
245.04581	12.7
258.05322	13.1
259.06137	69.2
260.06473	4.9
269.04596	19.3
287.05643	100.0
288.05963	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	287.093
Annotation	1-Hydroxy-3-(4-hydroxyphenyl)-1-(4-hydroxy-2-methoxyphenyl)-2-propanone
Peak:m/z	Relative Intensity
54.48293	0.4
59.01395	0.9
65.03966	0.9
69.20190	5.0
71.01392	0.9
80.02706	2.5
85.02941	0.7
87.89903	0.5
91.05556	0.7
93.03483	1.2
95.01390	0.6
107.01379	0.6
107.05052	2.0
108.02185	54.8
109.03037	5.5
121.02969	4.2
122.03777	0.7
123.00925	8.8
123.04539	97.4
124.01735	0.7
124.04886	3.4
125.02468	1.4
133.02936	1.2
135.00882	0.6
135.03528	0.7
135.04543	11.3
136.01709	1.2
137.02473	4.4
139.03961	0.5
148.01721	1.6
149.02431	2.5
150.03084	0.5
151.04031	2.9
153.01970	0.5
161.02464	0.5
162.03300	0.5
163.04054	3.3
165.01945	65.7
166.02724	17.3
167.03333	0.6
177.01942	1.2
179.03525	25.3
180.04099	1.6
181.05089	16.6
181.06322	0.5
182.05441	0.7
198.01634	0.6
209.06111	1.1
212.03284	1.6
237.05499	0.8
287.09274	100.0
288.09631	8.8
290.98373	0.5
297.86819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03167	0.7
57.03454	14.3
59.01388	1.8
63.02404	4.9
64.78588	0.5
65.00327	8.2
71.01402	0.6
81.03465	3.2
83.01397	11.6
85.02956	0.9
93.03461	2.6
95.01411	1.0
107.01392	6.6
107.05038	1.1
109.02943	3.5
111.00904	1.4
117.03455	1.0
121.02975	1.0
123.00908	0.6
123.04534	1.9
124.01677	2.8
125.02463	100.0
126.02791	3.1
130.04262	0.7
131.05049	2.5
133.02998	3.0
134.03726	1.7
135.04539	2.4
137.02498	0.7
139.04021	0.7
145.02922	0.7
149.06070	1.0
151.00394	13.0
152.01170	9.7
153.02003	3.3
157.06586	1.8
158.03741	0.9
159.04503	1.6
165.02039	0.8
172.05316	2.0
173.06108	5.4
175.04007	0.8
175.07520	0.7
177.05592	14.4
178.99873	6.7
179.03436	0.7
197.06097	1.0
199.04080	1.0
199.07758	2.8
199.09377	0.6
200.04701	0.7
201.05623	8.0
202.05774	0.9
203.03590	1.2
207.03116	0.8
213.05556	1.7
213.44943	0.6
214.06294	0.6
215.07159	5.1
219.06538	1.7
225.05643	1.0
241.05170	2.8
243.06665	14.7
244.07004	1.2
259.06134	69.6
260.06433	4.4
264.03305	0.6
269.04663	3.9
269.14108	0.6
287.05643	48.6
287.14917	1.6
288.05975	4.2
309.72302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95859	0.3
57.03456	16.9
59.01371	0.6
64.02717	0.3
65.00302	0.4
71.55077	0.5
81.03472	1.9
83.01394	7.8
85.02969	0.5
93.03476	0.4
99.54646	0.3
103.27504	0.3
107.05083	0.3
109.02967	1.5
117.03484	0.7
121.02930	0.8
123.04536	0.7
125.02463	100.0
126.02790	2.6
133.02975	4.4
135.04581	1.8
137.02489	0.6
149.02512	0.5
149.06078	1.9
157.62129	0.3
159.04572	0.6
161.02457	36.9
162.02948	1.5
165.01947	1.4
173.06079	0.4
174.70740	0.3
177.02002	1.3
177.05598	3.4
179.03473	0.7
201.05569	0.7
213.35452	0.3
231.03212	0.3
259.02606	0.5
287.05630	21.2
287.22256	0.6
288.05890	1.7
305.41238	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.4
63.02402	2.3
63.24694	0.2
65.00331	12.2
69.35120	2.2
76.84465	0.2
80.13066	0.2
83.01395	5.4
83.01833	0.4
85.02966	0.3
89.87338	0.3
91.05532	0.3
93.03468	0.5
98.19902	0.4
101.58739	0.3
107.01399	16.2
107.05027	0.7
108.01736	0.9
108.99314	0.3
109.02961	2.7
117.03448	0.3
121.02982	0.4
125.02459	4.5
133.02992	2.2
133.17311	0.3
134.03697	2.0
135.04536	100.0
136.04858	3.9
137.02472	1.0
149.02480	0.4
150.03113	0.3
151.00383	86.9
152.00731	2.9
153.00813	0.6
159.04515	0.4
161.02440	0.7
162.13293	0.3
165.01903	0.7
169.01416	0.6
169.12447	0.2
175.04074	0.3
177.01874	0.4
187.06073	0.3
199.03978	0.3
219.05647	0.4
269.04562	0.5
272.06863	0.9
287.05038	18.6
287.18756	0.4
288.05463	1.1
302.03821	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.02
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
59.01390	0.9
64.81766	0.4
65.00340	0.7
66.03990	0.4
66.26057	0.4
69.25729	0.4
71.01389	1.0
71.54562	0.5
76.46890	0.5
78.95902	0.7
89.36198	0.4
91.01856	0.6
95.01408	5.7
101.02442	0.6
107.01421	1.2
109.02963	1.5
111.00941	0.7
115.05566	1.0
119.05040	1.7
120.05372	0.5
123.00900	1.2
125.02474	2.1
127.05515	0.7
127.11348	0.6
128.00935	0.4
131.05034	0.8
133.02948	1.5
135.00883	0.7
135.04530	0.6
137.02483	3.2
143.05037	2.0
145.02962	1.2
147.04544	1.2
147.39496	0.4
149.02428	1.5
151.00410	2.9
153.01955	1.6
159.04504	1.6
161.02505	2.4
163.00417	3.4
163.04016	1.2
171.04524	1.7
173.02477	2.1
175.04018	1.3
177.01930	2.2
177.05583	2.0
178.99860	1.0
185.02505	0.6
187.04059	4.7
189.01929	1.9
191.03519	2.7
196.61523	0.5
198.03261	0.6
199.04027	1.2
201.01970	1.1
203.03540	2.1
213.01927	0.7
215.03506	9.9
216.03815	0.5
217.01407	1.9
219.03032	0.8
231.03000	2.3
243.03006	1.6
258.01764	0.7
259.02505	9.6
260.02945	0.5
269.21161	0.9
287.02008	100.0
287.16785	0.9
287.22324	19.4
288.02350	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	285.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11721	0.4
59.01380	0.6
63.02386	0.6
65.00320	1.7
68.86820	0.5
78.95912	23.8
83.01401	1.1
91.01905	28.0
95.01411	2.4
98.19958	1.2
106.04243	0.6
107.01409	1.8
107.05000	0.5
108.02187	6.7
111.41969	0.4
119.05029	1.2
121.03004	0.6
123.00924	0.5
133.02971	12.1
134.03758	77.9
135.00902	47.9
135.04149	2.8
136.01259	1.6
141.81644	0.5
148.01678	20.9
149.02472	3.3
149.06093	34.3
150.06436	1.4
151.00363	3.4
153.01949	17.8
160.01682	0.9
161.02475	2.2
168.70656	0.4
171.04520	0.5
173.02426	0.6
174.03180	1.2
175.03989	2.7
178.18735	0.5
180.00670	15.4
187.03937	0.7
187.87659	0.6
198.03336	0.7
199.04042	1.8
200.04767	0.8
201.02010	2.0
214.02631	0.5
215.03548	0.8
217.05096	0.9
224.04750	0.5
225.05446	0.6
226.06323	1.6
227.03488	0.6
241.05003	2.4
242.02182	0.6
243.06635	1.2
253.05116	1.0
267.02905	0.8
269.04562	6.2
270.02100	0.7
270.05316	15.8
271.05624	1.1
284.26807	1.1
285.04138	39.8
285.07742	100.0
285.27075	0.6
286.01569	0.5
286.04486	2.5
286.08057	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	286.2392
Annotation	Prosopinine
Peak:m/z	Relative Intensity
50.70716	0.4
56.95084	0.4
57.03362	0.4
59.01383	7.0
61.98831	1.1
65.00335	0.5
70.02975	0.9
70.66551	0.9
70.66930	0.8
72.04556	0.4
74.06120	2.0
92.52273	0.4
117.07127	0.6
118.05138	1.1
120.84804	0.5
125.02448	0.9
133.02950	1.3
134.03308	1.4
138.20995	0.4
151.00354	0.6
228.26740	0.4
228.29330	0.4
240.23370	3.0
242.21185	2.3
268.22824	1.0
271.04877	0.8
286.04388	8.6
286.07242	1.0
286.23892	100.0
287.04745	0.5
287.24573	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	285.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.4
63.02388	0.6
65.00327	4.3
65.81770	0.3
70.94675	0.3
70.95016	0.5
71.09814	0.3
77.99323	0.3
81.82469	0.3
82.06975	0.2
83.01404	1.1
91.01885	0.6
91.35017	0.3
93.03462	0.8
95.01382	0.4
105.03517	0.6
106.00613	0.8
107.01396	4.7
119.05038	100.0
120.05379	3.7
121.02966	2.9
123.00874	1.0
133.02965	17.5
134.03316	0.9
137.21561	0.3
149.02455	2.1
149.99600	14.9
151.00378	8.9
152.91794	0.5
164.01158	0.4
165.01949	13.2
166.02275	0.5
169.01454	0.9
175.04021	3.6
183.02994	9.6
184.03383	0.4
185.06059	0.4
185.11891	0.4
197.06020	0.3
198.03242	0.5
199.04030	2.1
201.01949	1.1
211.13440	1.2
215.03519	0.5
217.05110	1.1
223.04048	0.3
241.05107	0.9
243.03079	0.5
255.19881	0.4
257.04599	0.4
267.03143	0.4
270.05350	7.6
271.05713	0.5
284.26892	0.9
285.04092	57.1
285.07684	25.0
285.20694	3.1
285.27094	0.6
286.04410	5.1
286.08026	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	285.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
60.93935	0.4
63.02402	1.1
65.00337	2.0
68.23110	0.3
70.01026	1.9
83.01379	1.9
91.01893	1.0
98.20059	0.4
102.02689	0.4
105.03480	0.9
107.01400	5.4
108.02179	1.3
109.02941	0.8
110.00092	1.8
110.89867	0.4
111.00906	0.8
119.05035	1.3
121.02949	1.4
123.00899	1.0
124.01675	2.0
127.01207	0.4
132.02194	0.6
133.02969	30.9
134.03271	1.0
135.00932	1.8
137.02477	0.9
143.05046	0.6
146.03780	1.0
147.04530	2.8
148.01643	0.7
149.02437	4.3
149.06075	3.1
150.02792	0.5
151.00386	9.6
153.01930	1.4
159.04480	0.5
161.02480	2.0
171.04527	1.2
171.08130	0.3
172.05284	2.1
173.06091	1.3
175.04028	5.0
183.04518	1.5
185.06165	0.6
187.03998	1.1
196.05202	0.4
197.06120	2.2
198.03250	0.8
198.06900	0.6
199.03992	6.2
200.04788	2.0
201.01884	1.3
202.06401	0.7
208.77155	0.4
211.03932	1.7
213.05531	2.0
214.06200	0.6
215.03520	1.2
217.05022	2.5
223.04041	0.5
224.04678	0.8
225.05542	2.4
226.06401	2.6
227.03510	4.9
229.04948	0.5
241.05095	4.6
242.05783	1.5
243.03125	0.6
252.04237	0.5
253.05072	1.5
255.03027	8.0
256.03326	0.5
257.04642	0.5
267.02994	0.7
267.06641	0.9
269.04544	3.4
270.05353	61.2
271.05719	4.2
284.27048	0.6
285.04074	100.0
285.07651	25.4
286.04398	6.8
286.07990	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	285.062
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
65.11366	0.6
78.04390	0.5
78.95901	2.2
80.86196	0.5
81.03459	0.8
93.10707	0.5
93.62365	0.5
105.59268	0.5
108.02187	100.0
109.02998	21.0
110.98556	1.3
121.02974	0.7
122.03705	0.8
123.00823	0.6
123.04565	0.7
133.02936	0.7
135.04587	0.6
142.99866	1.2
151.04028	2.1
152.01172	65.0
153.01964	40.0
154.02246	1.3
165.02016	0.9
173.00925	0.5
213.01703	0.5
217.05173	0.5
217.85448	0.5
285.06201	67.7
286.06549	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	285.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22685	0.4
51.23143	0.4
53.94063	0.4
57.38868	0.5
70.69619	0.4
70.83707	0.8
70.84059	0.7
81.03451	0.8
85.28577	0.5
90.24265	0.5
106.07079	0.5
108.02187	100.0
109.03001	16.7
113.95867	0.6
121.02927	0.8
123.04521	0.7
133.03020	0.7
151.03993	2.1
152.01167	67.0
153.01967	36.0
154.02338	1.1
163.03993	1.1
165.01961	1.5
219.39978	0.5
285.06198	71.2
286.06537	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	285.0618
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
51.92503	0.5
53.06257	0.5
58.96156	0.4
81.03468	0.7
98.19935	1.0
108.02188	100.0
109.03010	14.7
113.30825	0.4
121.02940	0.9
123.04535	0.6
133.02997	0.6
151.04083	1.4
152.01169	62.9
153.01965	30.1
154.02321	0.9
160.86234	0.6
161.49309	0.5
163.04036	0.6
165.02016	1.1
175.03995	0.5
215.03560	0.6
217.04977	1.0
241.05074	0.9
265.85364	0.5
285.06223	60.6
286.06607	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	285.0771
Annotation	Sappanchalcone
Peak:m/z	Relative Intensity
50.15633	0.3
51.25928	0.3
53.65054	0.3
59.01385	2.2
61.98813	0.6
63.02409	1.2
65.00328	6.4
69.98067	1.6
78.95914	2.1
81.03457	0.4
81.26484	0.4
83.01395	3.2
83.05061	0.5
83.36230	0.4
93.03438	0.5
96.95974	0.4
104.53983	0.3
105.03497	0.7
107.01402	8.5
107.05006	0.5
109.02929	0.4
114.08081	0.3
117.03554	0.5
119.05035	1.1
120.02124	0.4
121.02952	1.1
129.05553	0.4
132.02248	0.5
133.02971	29.3
134.03720	1.6
135.04538	95.3
136.01813	0.4
136.04893	3.4
142.99948	0.4
143.05046	0.6
145.02980	0.4
149.02473	4.0
151.00380	17.7
151.03966	0.4
152.00771	0.7
152.91777	1.9
157.92352	0.3
164.01163	2.2
169.06664	0.5
171.04480	0.6
171.10226	0.5
175.04013	5.0
175.07718	1.0
176.35938	0.4
177.01898	0.6
183.04442	0.6
185.06088	0.7
186.03291	1.0
186.95724	0.4
187.04018	1.0
194.92783	0.7
196.00096	3.7
197.06128	1.6
198.03252	0.8
198.06883	0.9
199.04025	4.3
201.01961	1.9
201.05582	1.6
203.02504	0.5
213.05632	0.9
215.03514	0.9
217.05130	2.5
223.04001	0.8
225.05463	0.4
226.06363	0.7
241.05005	2.4
241.08759	1.9
243.00772	0.4
243.03003	1.1
257.18253	0.4
267.06650	1.3
269.04584	1.3
270.05334	3.8
284.26843	2.4
285.04111	100.0
285.07697	39.8
285.20612	5.5
285.27063	1.7
286.04446	7.2
286.08072	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	285.0407
Annotation	Luteolin
Peak:m/z	Relative Intensity
59.01371	0.2
63.02405	1.3
65.00330	3.3
71.08766	0.3
71.09107	0.2
81.03463	0.2
83.01395	2.0
93.03446	0.3
95.01383	0.2
105.03472	0.5
107.01406	5.8
109.02969	0.3
109.46243	0.2
115.05552	0.2
119.05054	0.2
121.02987	1.0
123.04591	0.2
124.73533	0.2
125.02451	0.3
132.02196	0.7
133.02979	26.3
134.03311	1.1
135.04565	1.7
143.05052	0.6
145.02974	0.3
147.04565	0.4
149.02455	3.6
151.00391	8.8
152.00746	0.3
155.05107	0.2
157.03023	0.4
157.06619	0.3
159.04549	0.5
161.06093	0.3
167.05058	0.4
169.06606	0.5
171.04543	1.2
173.02518	0.3
173.06169	0.2
174.03230	0.3
175.04030	5.4
176.04333	0.3
177.02000	0.4
185.06006	1.1
187.04082	0.4
189.05571	0.4
195.04468	0.3
196.05318	0.2
197.06032	0.6
198.03255	0.9
199.04034	4.4
200.04289	0.3
201.01958	1.8
211.04071	0.6
213.05556	1.5
214.02733	0.3
215.03448	1.0
217.05069	2.0
223.03958	0.6
226.02811	0.3
228.04042	0.2
229.05110	0.8
239.03548	0.5
240.04404	0.3
241.05049	1.6
242.02385	0.2
243.03011	0.9
257.04596	1.2
267.02979	0.7
268.03748	0.3
283.02411	0.2
284.03418	0.2
285.04077	100.0
286.04419	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	285.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72898	0.2
63.02388	0.7
65.00336	2.5
83.01406	1.3
86.02340	0.2
105.03452	0.6
107.01406	4.4
121.02950	1.0
132.02205	0.6
133.02975	25.1
134.03311	0.8
143.04977	0.2
149.02458	2.8
150.99205	0.4
151.00383	6.6
171.04494	0.5
175.04034	4.8
176.04240	0.4
185.06110	0.4
195.29634	0.2
197.06082	0.5
198.03232	0.7
199.04027	2.7
201.01936	1.3
211.04121	0.3
213.05492	0.3
214.02718	0.3
215.03577	0.5
217.05080	1.7
223.03969	0.3
239.03616	0.3
239.26906	0.2
241.05051	0.9
243.02930	0.8
257.04541	0.5
285.04077	100.0
286.04431	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	285.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42597	0.3
53.84403	0.3
57.62674	0.3
63.02397	1.1
65.00330	6.8
69.67258	2.0
81.52901	0.3
83.01395	8.9
89.03993	0.4
91.01858	0.4
93.03501	0.4
94.91704	0.4
103.50841	0.4
107.01420	1.3
108.02212	0.9
109.02970	1.6
117.03506	0.7
121.02940	0.6
123.04528	1.1
131.05042	0.7
133.02974	14.7
134.03339	0.6
135.04518	1.1
143.05037	0.8
145.02963	0.4
145.06601	0.8
147.00845	0.7
147.04552	1.0
148.01675	1.1
149.02460	3.8
151.00354	2.2
151.04039	1.4
155.04997	0.4
157.02975	0.5
159.04538	0.7
161.02434	0.4
167.03568	0.3
169.06616	0.6
171.04572	2.4
172.05290	0.4
173.02441	0.8
173.06085	2.7
174.03229	0.7
175.04016	19.7
176.04343	1.2
177.02045	0.6
185.06099	1.1
187.04008	0.6
189.05602	0.8
195.04620	0.6
197.06099	1.7
198.03209	1.3
199.04027	10.2
200.04517	0.4
201.01959	3.2
205.12701	0.3
211.04071	0.5
212.98286	0.3
213.05620	2.6
215.03510	1.1
217.05069	34.4
218.05379	2.0
223.03947	1.2
224.04665	0.4
229.05101	0.5
239.03752	0.4
240.04367	1.3
241.05032	3.3
243.03052	1.4
257.04575	1.0
284.26709	0.7
285.04074	100.0
286.04407	8.1
303.98074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99299	0.3
59.01352	1.5
69.43880	0.8
69.44283	2.4
71.01359	1.1
91.01897	3.6
101.02412	0.5
103.05463	0.4
108.02139	1.1
117.03449	0.5
132.02179	0.9
135.00896	6.7
148.01701	5.5
153.01929	0.5
156.05771	1.3
158.03653	0.5
160.01649	0.7
172.05211	0.5
183.04486	1.9
184.05333	6.9
195.04538	3.9
196.05264	2.4
199.31493	0.4
211.04022	20.7
212.04655	3.5
223.04031	2.2
224.04756	3.3
233.12613	0.4
239.01054	0.6
239.03500	13.0
240.04288	8.2
241.04784	0.6
251.03450	1.1
267.03036	6.0
268.03790	100.0
269.04181	7.3
283.06155	90.2
283.26462	11.4
284.03265	1.5
284.06403	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	283.1708
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
59.01386	2.1
70.20645	1.8
71.83732	0.4
88.65482	0.5
102.29211	0.4
106.04246	0.6
107.05043	100.0
108.05379	2.8
119.05013	0.6
119.07536	0.5
163.11302	96.1
164.11641	4.2
184.21361	0.5
201.02551	0.6
224.35779	0.4
255.02875	0.9
268.03873	0.5
283.17056	85.5
283.26425	32.3
284.17407	9.6
284.26807	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	284.1256
Annotation	HC Blue No. 2
Peak:m/z	Relative Intensity
53.01996	1.0
56.41459	0.8
58.02977	1.7
58.26943	1.1
59.01387	1.9
71.01386	2.2
71.53012	1.3
71.78565	0.9
78.95911	1.3
82.02986	2.6
83.06155	10.6
84.04547	2.5
84.49084	0.9
85.02932	1.2
85.04091	1.4
101.07205	1.6
107.11964	0.9
108.02185	69.4
109.02969	18.1
109.04092	2.7
109.36953	1.0
111.05658	1.5
113.07227	65.9
114.05631	3.0
122.03742	3.4
123.04502	1.8
126.01984	1.8
127.05148	22.9
128.03537	4.8
135.00838	1.1
138.05634	1.7
139.08774	4.0
145.06204	8.6
152.01175	46.2
152.08279	2.3
153.01973	27.2
153.10339	1.9
155.08266	1.6
156.06676	2.5
180.11446	90.7
181.09866	1.8
181.11761	2.8
193.05121	1.3
198.12505	85.4
199.12802	3.4
206.09366	4.0
213.96527	1.0
222.12614	1.0
224.10429	16.6
240.13530	3.5
242.11510	8.6
251.74617	0.9
266.11487	47.2
267.09668	2.1
284.12561	100.0
284.23969	1.8
284.26819	19.6
285.06226	51.0
285.12848	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	283.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45852	0.2
65.00377	0.3
67.41607	0.3
69.56556	1.2
69.56960	0.5
91.01896	3.0
96.63156	0.3
102.37936	0.3
106.90253	0.3
108.02207	1.1
119.01393	0.9
121.03009	0.3
132.02159	0.8
135.00896	6.4
136.01169	0.3
143.05017	0.4
148.01682	7.0
153.01987	0.9
156.05850	0.9
160.01707	0.9
163.68819	0.3
171.04562	0.4
183.04565	2.1
184.05309	5.8
185.05586	0.4
187.03967	0.5
195.04526	3.8
196.05334	2.1
198.03198	0.3
198.29384	0.3
199.03937	0.4
210.03314	0.3
211.04019	21.0
212.04692	3.7
223.04063	2.5
224.04745	3.5
227.03473	1.0
232.15489	0.3
239.03502	12.9
240.04274	8.9
241.04605	0.6
251.03467	1.4
255.03029	10.1
255.05521	0.3
256.03479	0.7
267.03018	5.5
268.03784	100.0
269.04147	6.9
283.06137	90.0
283.26395	7.5
284.03177	2.3
284.06482	6.9
284.26773	0.4
293.57898	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.7
69.56738	0.9
69.57146	2.7
72.70607	0.5
91.01862	0.8
98.20669	0.8
107.01347	0.5
108.02139	0.6
113.66460	0.5
119.05000	1.7
132.02187	4.8
135.00874	1.6
151.00388	0.6
153.01968	0.5
155.37071	0.5
167.04980	0.6
184.05276	0.9
195.04500	1.8
195.85909	0.5
196.05212	1.2
201.02600	1.2
211.04028	6.2
212.04745	1.7
219.13861	1.4
223.03992	3.4
224.04701	2.5
226.02780	2.7
239.03529	14.2
240.04263	5.2
255.02948	1.5
267.02994	16.4
268.03778	95.0
269.04092	7.0
283.06143	100.0
283.09830	5.2
283.19208	1.5
283.26434	29.9
284.06497	6.8
284.26685	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0616
Annotation	7,2'-dihydroxy-4',5'-methylenedioxyisoflav-3-ene
Peak:m/z	Relative Intensity
57.00291	0.5
59.01387	64.3
61.78711	0.5
65.00343	0.9
65.03963	3.4
67.01896	1.2
69.34507	1.4
69.34917	2.4
70.34097	0.5
81.03477	0.5
81.75282	0.5
89.03989	2.6
91.01913	1.3
93.03481	1.8
93.04047	0.6
95.05033	0.6
97.06602	2.9
98.19924	0.8
105.14856	0.4
108.02180	4.2
109.02968	12.4
111.08176	0.7
117.03458	2.9
119.05065	2.0
121.02982	4.9
123.00925	0.6
125.09702	1.3
132.02199	0.8
133.02972	10.4
135.00882	2.3
135.38429	0.6
137.02472	4.7
138.46632	0.4
141.07149	2.7
143.05031	1.2
143.08694	0.7
145.02951	8.1
146.03720	1.1
147.04509	1.1
151.11359	0.9
153.01955	0.6
153.09264	0.9
157.06596	0.7
159.00883	0.5
159.04561	0.7
161.02455	2.1
165.07095	1.0
167.05038	1.8
167.08682	1.2
169.06575	1.4
171.04607	1.3
172.05304	1.3
174.03163	0.7
175.43205	0.5
178.40425	0.4
180.05844	0.6
181.06622	1.6
182.03775	0.7
183.04535	1.7
183.08157	1.4
184.05389	0.5
185.06081	5.4
186.06740	1.1
187.03908	0.9
187.07675	1.9
193.06622	2.1
195.04536	2.5
196.05258	2.9
197.06102	1.4
198.03218	1.4
199.03864	0.8
200.04863	0.9
201.02638	2.3
209.06117	6.0
210.06908	3.8
211.04071	4.7
211.07620	6.6
212.04707	2.0
213.05582	6.5
214.05888	0.5
215.07117	1.0
223.17099	0.6
224.04860	0.9
225.05551	3.1
226.06311	1.2
227.03598	0.7
227.07074	1.9
236.04881	0.9
237.05615	4.2
239.03583	3.1
239.07175	2.2
240.04314	8.9
241.04924	0.9
253.05118	4.2
254.05859	33.4
255.03061	5.8
255.06627	37.4
256.03516	0.9
256.06943	1.8
265.18222	1.3
266.18369	0.5
268.03799	7.7
269.04083	0.9
281.04611	1.5
282.05298	0.8
283.06137	100.0
283.19220	25.9
283.26428	59.8
284.06467	7.3
284.19476	1.6
284.26764	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11731	0.3
59.01508	0.3
60.50370	0.3
63.02525	0.4
65.00146	0.3
65.00432	0.4
69.72323	2.0
77.16227	0.3
91.02101	0.9
98.20613	0.7
107.01543	0.8
119.01566	2.1
121.03079	0.6
132.02377	5.1
133.03003	1.8
134.03877	0.3
135.01083	2.5
143.05273	0.4
145.03099	0.4
151.00558	1.3
153.02087	0.4
154.04469	0.6
167.05167	0.4
169.03168	0.4
171.04662	0.6
182.03868	0.5
183.04541	1.6
184.05389	0.7
185.02527	0.6
187.04121	0.7
195.04533	1.9
196.05432	1.5
198.03456	0.4
199.04175	0.6
211.04018	6.9
211.05852	0.5
212.04729	2.7
213.05394	0.4
222.03340	0.3
223.04031	3.5
224.04800	3.7
226.02731	2.4
227.03557	1.3
239.03517	15.2
240.04233	5.7
250.02739	0.5
255.03011	27.6
256.03467	2.0
267.03021	18.0
268.03784	90.6
269.04135	6.5
283.02570	13.0
283.06107	100.0
283.26416	8.2
284.03162	4.9
284.06473	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	283.0251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09044	0.1
58.18952	0.1
59.01115	0.2
59.01381	2.4
63.02401	4.1
65.00314	1.5
70.95072	0.2
70.95403	0.2
79.01883	0.2
83.01399	1.0
91.01887	0.2
97.33962	0.2
103.01868	0.3
104.02653	0.3
107.00743	0.2
107.01407	3.6
115.05503	0.3
117.03453	0.7
119.01387	0.3
119.05060	0.7
127.05527	0.2
131.05003	0.2
135.00885	0.3
139.05563	0.7
141.03499	0.4
143.05009	0.8
145.02934	0.7
147.00960	0.8
147.04454	0.2
148.01620	0.4
150.99208	0.2
151.00383	3.5
154.04257	0.2
155.05019	1.2
156.05388	0.2
157.02934	0.3
158.03775	0.2
159.04512	1.3
167.05023	0.7
169.01553	0.3
169.02957	0.8
171.04509	1.0
182.03793	1.1
183.04523	3.6
184.05028	0.2
185.02437	1.6
187.04063	0.8
189.01981	0.2
199.04036	1.0
201.02583	1.1
211.04021	1.1
213.02011	0.3
227.03520	2.4
240.03998	0.2
242.02225	0.3
255.03001	100.0
256.03427	8.3
268.03836	0.6
283.02505	34.8
283.19409	0.6
283.26431	20.2
284.03122	5.7
284.06433	0.2
284.26831	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0251
Annotation	7,10,12-Trihydroxycoumestan
Peak:m/z	Relative Intensity
59.01379	1.6
70.48241	0.4
71.01371	0.5
71.55499	0.5
74.02493	2.6
91.01902	5.2
103.32391	0.5
119.04977	0.6
129.03445	1.0
132.02177	3.0
133.03020	0.9
135.00905	10.5
139.05534	1.7
141.03488	1.3
145.06563	0.6
147.04550	0.7
147.44395	0.5
153.01950	1.7
153.03357	0.9
154.04256	1.0
155.05019	2.0
159.75633	0.6
165.03445	0.7
167.05040	1.3
169.03020	0.9
170.03558	0.5
171.04489	1.0
181.02957	1.2
182.03696	2.7
183.04535	12.3
184.04901	0.5
185.02499	2.4
193.03006	0.8
195.04575	0.7
196.05180	0.7
197.02415	0.6
198.03204	1.4
199.03969	0.9
209.02455	4.1
210.03255	2.0
211.04007	10.4
212.04454	1.0
213.01950	1.2
215.28542	0.5
224.04503	0.6
226.02669	2.1
227.03508	10.8
228.03773	0.8
237.01947	15.5
238.02580	2.1
239.03548	6.3
240.04265	8.6
241.04620	0.7
255.03033	8.8
256.03244	0.7
265.01453	22.8
266.02130	5.6
267.03033	1.2
268.03787	59.8
269.04111	3.7
282.01749	4.3
283.02518	100.0
283.06122	45.4
283.26456	43.0
284.02921	8.8
284.06485	3.5
284.15094	1.0
284.26852	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
63.02399	3.9
65.00330	1.2
83.01404	1.0
89.43287	0.3
98.20855	0.4
103.01933	0.4
107.01405	3.3
113.59452	0.3
115.05536	0.4
117.03459	0.7
119.01472	0.3
127.05543	0.3
128.12331	0.3
139.05544	0.8
141.03395	0.4
143.05038	0.7
145.02954	1.0
147.00876	0.8
148.01633	0.5
151.00392	3.1
155.05042	1.4
159.04506	1.1
161.21405	0.3
167.04984	0.5
169.02962	0.8
171.04494	0.7
182.03700	1.4
183.04539	3.3
185.02411	1.5
187.04054	0.7
199.04004	1.1
201.02251	0.4
210.89131	0.3
211.03983	0.9
227.03540	1.8
229.52411	0.3
233.91312	0.3
255.03006	100.0
256.03409	7.4
283.02505	34.8
283.05023	0.5
283.26477	6.0
284.03110	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	283.0251
Annotation	Lupinalbin A
Peak:m/z	Relative Intensity
59.01371	0.5
63.02399	3.9
65.00330	1.2
83.01404	1.0
89.43287	0.3
98.20855	0.4
103.01933	0.4
107.01405	3.3
113.59452	0.3
115.05536	0.4
117.03459	0.7
119.01472	0.3
127.05543	0.3
128.12331	0.3
139.05544	0.8
141.03395	0.4
143.05038	0.7
145.02954	1.0
147.00876	0.8
148.01633	0.5
151.00392	3.1
155.05042	1.4
159.04506	1.1
161.21405	0.3
167.04984	0.5
169.02962	0.8
171.04494	0.7
182.03700	1.4
183.04539	3.3
185.02411	1.5
187.04054	0.7
199.04004	1.1
201.02251	0.4
210.89131	0.3
211.03983	0.9
227.03540	1.8
229.52411	0.3
233.91312	0.3
255.03006	100.0
256.03409	7.4
283.02505	34.8
283.05023	0.5
283.26477	6.0
284.03110	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	281.1761
Annotation	Nardosinanol D
Peak:m/z	Relative Intensity
57.03456	1.1
59.01387	100.0
60.01721	0.8
60.99312	0.7
70.18092	2.7
74.35228	0.6
81.57829	0.6
111.08163	5.0
117.03452	1.3
118.10579	0.6
118.71925	0.6
119.05030	5.5
151.55730	0.7
161.02501	1.7
219.17538	1.4
221.15501	3.5
223.13359	0.8
281.04755	1.3
281.08435	2.3
281.17609	36.0
281.24835	2.4
282.17947	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	281.1762
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
59.01387	100.0
60.01722	1.0
69.86500	1.7
69.86890	1.1
88.90541	0.4
95.05055	0.9
96.96021	1.1
97.06593	0.5
111.08159	0.9
147.11777	1.2
149.09734	0.8
151.07687	1.1
177.12770	0.8
197.02240	0.5
205.16666	0.5
208.53490	0.5
263.16605	1.9
281.17618	37.8
281.24527	1.5
282.17944	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	281.1762
Annotation	Nardosinanol D
Peak:m/z	Relative Intensity
51.58431	0.8
55.53598	0.8
59.01388	100.0
60.01721	1.1
64.81741	0.8
69.35759	6.5
71.01365	1.2
84.96429	0.7
96.96011	1.9
115.39207	0.7
137.09659	0.8
139.17993	0.8
149.09680	1.3
151.11278	1.5
154.40938	0.7
165.12802	1.1
165.80238	0.8
186.09184	0.8
197.02501	1.1
209.02457	0.9
219.17552	1.8
221.15387	1.7
233.25870	0.8
253.01381	7.5
253.05028	1.3
254.01816	1.1
281.00888	8.5
281.04517	4.3
281.14383	2.6
281.17581	38.3
281.24661	4.4
282.17923	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	281.2489
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
61.71049	0.5
63.36003	0.4
71.16341	1.0
86.78262	0.5
118.64341	0.5
122.34957	0.5
162.51332	0.5
243.21436	0.5
272.57614	0.5
281.24881	100.0
282.25256	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	282.0848
Annotation	Guanosine
Peak:m/z	Relative Intensity
59.01389	1.3
66.00983	0.7
69.42114	1.6
71.01409	0.8
77.84812	0.2
78.95917	0.4
82.04114	0.8
85.02974	0.2
89.02467	0.5
98.19965	0.5
100.74134	0.2
101.02447	0.7
107.03641	3.9
107.11781	0.3
108.02054	9.7
115.60336	0.3
126.03105	4.5
130.08897	0.2
133.01578	30.6
134.01917	1.0
150.04228	100.0
151.02663	0.5
151.04700	1.9
164.05783	0.4
169.55492	0.3
238.49170	0.2
282.08466	26.3
283.08688	1.3
283.26495	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	4.6
70.54573	1.4
71.01392	0.7
72.00916	14.1
74.02482	32.3
76.11047	0.5
91.01913	1.0
96.04565	0.5
97.01696	1.3
104.03551	100.0
105.03876	1.0
110.23608	0.5
119.05019	3.9
135.00920	1.1
147.04559	2.7
153.01976	0.5
177.12936	0.7
195.04430	0.5
200.94516	0.6
201.02600	2.2
208.16888	0.7
220.17122	1.1
241.45468	0.4
252.16078	5.9
255.03046	3.5
268.03830	1.1
282.17130	7.7
282.25308	0.5
283.02515	1.3
283.06146	4.3
283.10382	0.6
283.26450	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0824
Annotation	5,6-Dimethoxyflavone
Peak:m/z	Relative Intensity
59.01387	1.4
61.67485	0.2
66.05637	0.2
71.01392	0.2
71.53853	0.3
75.65429	0.2
84.51757	0.2
88.06950	0.2
90.95549	0.2
93.03454	0.6
102.21336	0.2
113.02454	0.3
114.12892	0.2
119.05042	100.0
120.05362	3.6
158.34926	0.2
237.09175	0.3
237.18629	0.2
281.08228	18.5
281.24936	1.2
282.08572	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39544	1.4
55.01876	4.2
57.03442	6.9
58.00597	3.7
59.01384	100.0
61.03707	1.6
71.01390	97.5
71.53716	2.3
72.99308	6.8
73.02948	22.0
75.00896	1.5
75.94336	1.4
78.95921	5.3
80.96536	2.1
83.01402	12.2
85.02959	42.5
87.00882	8.0
87.04553	3.6
89.02454	62.3
93.03466	2.8
95.01402	6.6
96.95994	3.0
96.96965	4.7
97.02935	2.1
98.25108	1.7
99.00897	11.1
101.02454	80.3
101.06113	1.4
107.03683	2.3
108.02065	8.7
109.02919	1.8
111.00887	3.6
113.02462	44.9
119.03513	22.5
119.04971	1.8
119.07151	12.1
121.02951	2.1
125.02402	2.2
126.03101	5.2
129.01988	2.4
131.03494	2.6
133.01582	26.2
137.02414	2.8
143.03534	6.1
150.04225	90.4
159.03020	6.0
161.04568	37.1
175.04042	1.7
179.05553	2.1
191.75270	1.5
237.09067	2.3
264.23798	1.5
281.00705	2.3
281.04083	2.4
281.12387	19.6
281.24866	7.7
282.08429	18.3
289.86688	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	281.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09860	1.3
59.01387	100.0
65.84443	1.6
68.52056	1.4
69.38543	9.6
70.16871	1.3
71.01394	1.8
71.05034	4.5
73.02957	2.9
81.03466	1.7
87.00891	23.6
93.03457	2.0
95.05077	2.4
97.02952	1.5
107.05044	4.1
109.06623	1.5
119.05115	2.1
120.05840	3.1
121.06627	4.0
139.11285	3.6
145.06590	4.0
146.07405	2.5
152.04834	2.2
159.11751	2.8
161.09744	29.0
161.13376	6.1
162.10011	2.0
172.08888	2.3
183.10237	2.7
185.09747	2.3
187.11310	64.5
188.11697	2.9
189.09229	6.2
203.10814	1.6
205.12410	4.2
219.13930	20.0
221.11827	2.2
237.14642	2.2
249.92256	1.7
253.01242	2.8
253.05101	2.2
267.12280	2.2
281.04517	4.8
281.07175	2.2
281.13977	5.1
281.17654	5.3
281.24780	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	279.2331
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
68.57333	0.4
68.74853	0.4
69.52737	2.8
98.20613	0.9
101.64548	0.4
157.14929	0.4
215.02229	0.4
239.65381	0.5
279.23309	100.0
280.23636	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.046
Annotation	3-Hydroxy-8,9-methylenedioxypterocarpene
Peak:m/z	Relative Intensity
50.04868	0.4
57.03453	0.5
59.01379	2.2
60.93229	0.3
69.40751	0.9
69.41154	2.0
71.01414	0.4
73.02953	2.5
81.03470	0.4
89.02505	0.4
91.01894	3.1
117.03476	0.9
119.05026	0.8
123.08231	0.4
125.06125	0.4
132.02199	1.6
133.02994	3.1
135.00899	3.5
153.01945	0.7
161.02513	0.6
167.05054	1.4
169.06593	1.0
171.04515	0.3
177.09586	0.4
180.05861	1.8
181.06630	1.4
182.03740	0.7
183.04594	0.9
185.06055	1.7
187.11385	0.6
195.04539	3.0
196.05359	2.1
197.02377	0.5
197.06081	2.6
202.65724	0.4
204.93648	0.4
207.04544	0.4
207.10286	1.0
208.05302	4.3
209.06129	4.5
210.03178	0.7
211.03990	1.1
223.04028	4.4
224.04793	4.6
225.05595	5.0
237.05457	0.5
238.02701	1.1
251.03487	4.7
252.04266	5.8
253.05084	56.5
254.02037	0.3
254.02946	0.4
254.05429	3.5
266.02176	1.2
267.02975	0.7
279.03003	1.8
280.03531	0.4
281.04581	100.0
281.24954	1.2
282.04953	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	279.1242
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
51.57209	0.9
57.03456	14.5
58.53202	0.9
59.01406	1.7
60.37505	0.8
69.03479	1.3
69.26025	5.4
69.26441	3.1
83.05012	3.3
83.46584	1.0
85.02975	2.2
88.26505	0.8
93.03459	1.0
94.04254	1.3
95.05021	3.0
97.02988	8.0
97.06593	2.5
99.04501	1.5
107.05042	1.7
109.02994	6.1
109.06603	6.3
111.04538	6.6
119.08678	2.8
121.06625	5.1
122.03753	18.6
123.04530	3.8
124.05319	21.5
125.06129	5.0
131.15317	1.0
135.04562	1.8
135.08183	1.1
136.05328	2.3
137.06113	13.7
137.09758	1.4
139.07672	100.0
140.07999	3.4
147.08173	4.2
148.05351	1.3
149.06145	1.0
163.07596	1.9
163.11409	2.2
168.07936	22.8
169.08595	2.6
171.08183	2.6
172.08977	1.2
175.11255	2.8
177.12880	2.2
185.09703	1.3
187.11316	21.6
188.11580	1.4
189.09184	1.5
190.10022	5.4
205.12358	35.8
206.12656	2.5
217.12325	3.2
223.89841	1.0
231.10210	1.9
235.13394	5.2
249.11288	2.9
260.96512	0.9
279.09491	1.3
279.12454	9.1
279.23154	2.3
302.80637	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.124
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
52.10823	0.6
53.26051	0.6
55.01875	0.8
57.03454	12.2
58.55665	0.5
59.01387	1.4
64.65318	0.6
69.03467	1.6
69.55991	3.5
71.01400	1.2
78.95934	0.7
80.96537	0.7
81.03462	0.7
83.05038	2.8
85.02959	1.0
85.06631	1.0
91.42377	0.6
91.42934	0.6
93.03484	0.9
94.04236	1.0
95.05023	3.0
97.02963	7.4
97.06612	2.8
98.19917	1.2
99.04556	0.6
103.63741	0.6
107.05083	1.0
108.02190	0.7
109.02966	5.0
109.06599	7.2
111.04532	4.2
119.05073	0.8
119.08678	3.8
121.06616	5.8
122.03753	17.0
123.04575	3.7
123.08163	1.4
124.05318	23.3
125.06120	4.9
125.72240	0.6
135.04536	1.4
136.05431	0.8
137.06107	12.0
137.09743	2.0
139.07668	100.0
140.07962	3.7
144.62238	0.6
145.10271	0.9
147.08179	4.7
148.05217	0.6
149.06090	1.3
149.09691	0.8
162.06860	1.0
163.04103	0.7
163.07700	1.7
163.11237	1.5
165.05531	0.7
168.06488	1.2
168.07935	25.6
169.08768	2.8
171.08182	2.6
172.08873	1.0
175.11273	1.7
176.01118	1.4
177.09238	0.8
177.12836	2.5
179.07310	0.6
180.07870	0.9
185.09798	0.7
187.11314	17.9
188.11621	1.0
189.09229	1.7
190.09987	5.2
191.03534	1.8
191.10680	0.6
205.12354	36.2
206.12672	2.3
217.12378	1.7
231.10143	0.9
235.13417	4.1
246.71071	0.6
249.11327	2.3
261.11493	0.9
279.09323	1.0
279.12381	8.5
279.23279	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.124
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
51.35080	0.3
51.89968	0.4
52.33564	0.3
57.03456	12.8
59.01376	1.1
65.06237	0.3
67.01889	0.5
69.03463	1.4
70.63680	0.4
71.01389	0.8
71.05029	0.9
71.54798	0.3
79.05547	0.8
80.02719	0.4
81.03490	1.1
83.05036	3.5
85.02968	0.9
93.03473	0.4
94.04255	0.6
94.88201	0.4
95.05050	3.7
97.02960	7.6
97.06587	1.6
99.04548	0.8
107.05054	1.8
108.02177	0.9
109.02962	6.7
109.05888	0.7
109.06599	7.4
111.04535	4.9
111.08163	0.4
111.70504	0.4
119.05042	0.7
119.08615	2.7
121.06604	5.7
122.03746	18.0
123.04597	2.9
123.08157	0.8
124.05315	25.8
125.06139	5.4
135.04532	2.1
135.08188	1.2
136.05305	1.2
137.06100	13.1
137.09731	0.9
138.03242	0.5
138.47563	0.4
139.07663	100.0
140.08003	3.2
142.02802	0.5
145.10233	1.1
147.08174	4.6
148.05347	1.1
149.06079	1.1
149.09631	0.4
151.07639	0.7
153.05518	0.5
161.09711	1.1
162.06882	0.6
163.07681	1.9
163.11327	1.9
168.07932	27.3
169.08598	1.9
169.10123	0.4
171.08188	2.8
172.08972	0.7
175.07632	0.7
175.11273	1.1
176.31050	0.4
177.09328	0.5
177.12915	2.2
183.49942	0.4
185.09749	1.2
187.11305	18.0
188.11647	1.4
189.09195	1.6
190.10017	5.2
191.10547	0.6
205.12350	33.3
206.12627	2.3
217.12363	2.3
231.10216	1.3
235.13391	3.1
249.11417	1.5
279.06583	0.5
279.12460	5.5
279.15619	0.8
279.23254	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0673
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
56.23414	0.3
59.01382	0.7
61.36491	0.3
69.58253	1.1
69.58675	1.2
71.01387	4.6
72.00915	0.6
75.96563	0.4
88.04053	26.2
114.01979	4.2
115.00386	12.2
117.03476	0.9
119.05045	13.4
120.05401	0.6
129.49666	0.4
132.03044	100.0
133.03375	1.6
144.04533	0.4
145.02969	3.1
147.04550	0.9
162.05641	1.4
163.04021	4.0
188.07149	0.5
216.06798	0.7
234.07780	1.2
253.00140	0.4
260.05560	0.5
272.34293	0.4
278.06735	6.4
279.07321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0665
Annotation	Aristofolin E
Peak:m/z	Relative Intensity
59.01378	0.4
65.25820	0.1
70.55495	0.1
71.01402	0.2
73.02949	0.2
93.03470	0.4
101.02452	0.2
111.29642	0.1
117.03551	0.2
119.05039	100.0
120.05381	3.5
126.56951	0.1
133.02957	0.5
145.02936	0.2
158.43808	0.1
168.07816	0.1
206.94534	0.1
234.52383	0.1
235.07661	0.4
261.18668	0.1
271.24149	0.1
279.06647	12.2
279.19818	0.3
279.23260	1.2
280.06979	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1088
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
51.57676	1.1
53.32637	1.0
57.03455	1.6
58.00592	3.8
59.01387	100.0
63.12867	0.9
63.60071	1.1
71.01392	47.3
71.05042	2.7
71.25333	1.7
72.99312	3.8
73.00730	1.1
73.02952	2.3
73.49231	0.9
75.18410	1.1
83.01404	2.6
85.02961	9.9
87.00890	2.3
89.02459	62.8
90.02817	1.3
95.01397	4.0
99.04538	7.6
101.02456	38.3
102.02766	1.0
106.97351	0.9
110.20857	1.1
113.02471	20.1
117.05594	14.9
119.03527	28.8
120.03965	1.2
120.04883	1.1
131.03500	3.8
137.67830	1.1
143.03505	3.2
161.04575	1.7
174.51491	1.1
179.05659	3.2
221.48245	1.0
248.80598	1.3
279.10873	72.4
279.23264	1.5
280.11240	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	277.2174
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
56.13868	0.4
59.01387	0.5
70.28920	1.3
71.01400	0.6
74.36345	0.4
99.34622	0.4
111.30350	0.5
112.83026	0.4
130.67348	0.4
170.84221	0.4
198.85851	0.4
203.03212	0.4
228.32886	0.4
231.61935	0.4
275.20358	0.5
275.25989	0.4
277.21747	100.0
278.22101	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2175
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01384	2.4
62.68801	0.2
66.81307	0.2
70.06211	0.4
70.06578	0.7
71.01381	0.7
77.29634	0.2
78.78489	0.2
93.61522	0.2
98.05485	0.2
102.04470	0.3
121.02946	0.3
127.07657	0.4
152.91721	0.2
186.68108	0.2
194.92813	0.3
208.43845	0.2
223.56004	0.2
233.22800	0.6
247.03313	0.2
259.20627	0.5
275.20200	0.5
277.21732	100.0
278.22083	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	277.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02797	0.2
59.01114	0.3
59.01389	4.1
71.01389	0.7
111.54945	0.2
121.02955	0.5
127.07687	0.4
152.91801	0.6
165.09007	0.2
194.92838	1.0
194.95569	0.3
204.97787	0.2
205.15953	0.8
233.15460	0.3
233.19110	0.5
233.22841	0.6
259.20609	0.4
262.12039	0.3
275.20221	0.3
277.18353	6.8
277.21735	100.0
278.18845	0.5
278.22089	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	278.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88017	0.9
59.01357	1.4
59.23089	1.0
69.20900	1.0
69.73412	5.0
70.18324	1.0
71.01386	12.8
74.02470	1.2
88.04038	3.6
88.73101	0.9
93.03471	7.7
98.20654	1.2
114.01988	24.5
115.00386	23.8
117.03465	2.2
119.05041	100.0
120.05383	2.4
127.59814	0.9
132.03036	20.3
132.09169	1.1
145.02986	6.3
145.06561	1.5
146.06090	2.4
147.04539	6.0
154.85378	1.1
162.04315	2.1
162.05620	29.6
162.24817	1.0
163.04031	22.2
163.05582	1.1
163.05997	1.4
172.07700	1.0
174.94992	1.0
190.08720	2.2
191.03519	1.0
216.06679	9.1
234.07803	4.8
278.06708	50.9
279.06976	2.2
279.23431	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.9184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26115	0.3
59.01373	0.7
71.52983	0.3
72.99310	1.1
78.95911	42.4
79.95725	0.5
96.96021	12.9
96.96978	9.2
134.96111	2.7
134.97089	1.4
136.94026	62.6
137.94099	3.6
151.92805	0.4
158.92557	0.7
176.98119	0.5
178.94995	10.9
179.01161	2.2
179.95238	0.6
196.92693	0.5
198.90749	6.6
214.93661	1.4
216.90793	100.0
217.90973	4.6
218.91180	0.4
218.93134	1.2
220.94743	0.8
232.94519	0.3
234.91475	12.2
235.91319	0.5
240.91570	2.1
255.42551	0.4
258.91721	10.6
259.92053	0.7
276.92328	1.1
276.98856	27.4
277.21762	0.6
277.99319	0.6
294.94855	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0931
Annotation	Tuliposide A
Peak:m/z	Relative Intensity
50.02015	1.6
55.01873	6.2
56.20748	1.5
57.01699	1.8
57.03448	5.7
58.02977	2.0
59.01385	36.9
62.54838	1.6
67.01891	1.5
69.47758	4.8
69.48181	6.8
71.01389	100.0
71.05034	3.0
72.99320	3.5
73.02953	32.8
75.00887	2.2
78.95918	5.9
83.01392	10.6
83.05041	1.7
84.04551	2.3
85.02964	42.6
87.00903	2.2
89.02441	14.6
92.05077	1.7
95.01413	5.4
96.96974	6.5
97.02962	3.5
99.00890	13.8
99.04578	1.7
101.02453	52.5
113.02460	37.6
114.02734	1.6
114.46387	1.5
115.04026	43.8
116.04286	2.2
116.75713	1.7
119.03493	3.4
121.02993	1.7
125.02473	2.4
127.05161	1.7
128.03581	8.3
137.28984	1.6
143.03561	2.5
144.04515	2.3
148.04079	5.5
157.07739	3.5
159.03018	8.3
161.04594	30.7
213.27893	1.7
215.08243	3.4
215.54944	1.5
219.07645	2.1
233.10281	7.1
276.98792	1.7
277.09393	19.8
277.21799	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	275.1656
Annotation	Acetoxymarsupellone
Peak:m/z	Relative Intensity
57.03446	2.2
63.81540	1.5
65.61936	1.6
69.03472	2.4
70.69012	1.6
71.54764	2.3
77.70829	1.4
81.03466	57.8
83.01393	2.8
99.70599	1.5
107.05065	2.8
109.02982	2.5
109.06605	37.6
116.92848	2.3
125.02441	2.3
140.68062	1.7
163.14987	4.0
166.01289	2.0
189.16490	2.5
191.14445	7.1
203.14397	5.7
215.14740	1.7
231.17551	63.6
232.17880	3.6
233.15562	8.1
240.38885	1.6
275.16565	100.0
276.17023	8.0
286.92938	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2018
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
59.01111	0.5
59.01384	6.0
69.48605	2.2
69.49021	0.9
70.11929	0.4
71.01385	1.1
71.58675	0.4
83.05042	0.9
98.20803	0.5
109.06548	0.4
116.92870	0.5
123.02361	0.4
177.16530	2.4
192.95872	1.4
193.12241	0.4
203.18092	0.5
222.36333	0.5
231.17622	0.7
231.21169	9.7
232.21529	0.9
252.55794	0.5
257.19138	1.1
275.20178	100.0
276.20563	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	275.202
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
58.65627	8.1
59.01388	14.5
71.54305	8.9
73.17245	7.4
96.09837	8.1
111.55579	7.9
189.67247	7.9
231.21169	100.0
275.16647	8.1
275.20166	37.0
296.16202	8.4
299.91776	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	276.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25855	0.2
59.01388	0.9
71.05041	0.4
71.54103	0.4
85.02972	0.7
97.46178	0.2
105.05843	0.3
107.37881	0.3
119.07426	0.7
121.02995	0.7
132.08226	0.7
134.09778	38.1
135.10129	1.0
137.04810	0.4
148.11349	0.6
152.91777	1.2
161.08386	0.7
170.48595	0.3
172.11295	0.4
175.10042	1.6
190.12402	100.0
191.12761	4.5
193.96091	0.3
194.92770	2.7
198.11407	0.3
200.94734	0.3
212.93922	0.4
232.17014	0.3
276.16071	16.0
277.16360	1.1
277.21832	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1293
Annotation	Ethambutol Hydrochloride
Peak:m/z	Relative Intensity
59.01384	2.7
60.19609	0.6
66.61308	0.5
67.01914	0.7
70.71889	1.0
70.72234	1.0
94.66242	0.6
99.78072	0.5
107.04986	0.7
108.02187	4.3
110.00160	0.6
111.08180	1.0
115.05579	0.9
116.71782	0.6
116.92859	1.7
121.02988	0.7
123.00920	1.0
124.01718	2.8
125.02430	0.5
134.00983	0.6
136.01678	8.8
137.02464	9.5
140.44991	0.7
145.84328	0.6
149.02457	31.0
149.06114	1.6
150.94838	0.8
156.99379	0.6
161.02428	0.8
161.06078	2.0
162.06847	1.0
163.04007	2.1
165.01909	7.6
175.03984	3.2
176.08496	1.0
176.13737	0.5
177.01973	2.1
177.05594	10.6
177.07137	0.9
178.06320	1.0
179.07170	1.0
185.13374	5.6
189.01962	1.0
189.05589	28.6
189.12866	0.6
190.06361	11.7
191.07010	1.7
192.07950	11.1
192.95847	2.0
193.08565	0.7
203.07181	4.3
204.07933	22.1
205.05069	1.4
205.08255	1.2
206.05847	3.0
213.13033	0.6
220.07394	11.4
221.07645	0.8
229.12326	1.8
231.17506	0.8
231.21027	0.9
232.07416	1.9
232.11063	2.0
247.13416	73.6
248.13713	5.5
257.11874	1.7
275.12921	100.0
275.20023	9.1
276.13196	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	273.1499
Annotation	Nimbidiol
Peak:m/z	Relative Intensity
54.36724	0.8
71.54014	0.9
148.05325	55.9
149.05684	1.9
153.09476	0.9
174.02190	1.1
180.04301	62.4
181.04588	2.0
188.08440	2.2
200.08482	2.3
201.09236	1.8
202.10103	1.2
203.10802	100.0
204.11182	6.2
213.61771	0.9
232.07324	1.4
234.09029	2.1
239.10822	1.7
245.11914	2.2
255.13953	9.5
273.03860	1.8
273.15002	95.7
274.15329	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	275.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
62.53077	0.2
64.14768	0.2
68.84216	0.2
69.54620	0.6
69.55041	0.7
71.01393	1.5
73.02930	0.3
75.77184	0.2
76.89441	0.2
78.00932	0.2
78.19256	0.2
83.01393	0.2
85.02952	0.5
87.41808	0.2
89.02442	0.3
101.02441	0.6
113.02483	0.8
113.06103	100.0
114.06427	2.6
125.02453	0.5
134.77318	0.2
137.02408	0.3
138.08020	0.2
147.04510	0.2
161.02405	0.3
161.04617	0.3
187.07770	0.3
231.10237	0.3
250.12469	0.2
275.06015	0.3
275.09192	0.3
276.09067	0.2
291.70239	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0773
Annotation	Phloretin
Peak:m/z	Relative Intensity
57.03450	2.1
59.01387	1.2
63.02406	0.6
65.00327	2.8
65.00588	0.2
67.93825	0.2
68.16882	0.3
68.99839	0.7
69.03457	0.3
69.28453	2.0
71.01384	0.4
71.25523	0.2
72.27795	0.2
80.09824	0.2
81.03467	26.8
82.03802	0.7
83.01395	9.5
83.38683	0.2
92.24241	0.3
93.03471	9.9
95.01407	0.8
95.05067	1.0
96.78363	0.2
99.04537	0.8
99.08191	0.3
107.01407	3.3
107.37334	0.2
108.02211	0.3
108.46231	0.3
109.47838	0.3
111.04539	0.5
119.05045	22.0
120.05390	0.9
121.02942	0.5
122.03757	0.3
123.04541	47.7
124.01683	0.3
124.04877	1.6
125.02464	13.6
126.02808	0.6
135.04509	1.3
137.02496	0.5
143.05052	0.3
147.04521	1.0
149.02507	1.3
151.00391	5.0
155.07155	0.3
155.10849	0.3
161.02428	0.3
166.02673	0.5
167.03514	100.0
168.03874	3.5
169.06610	0.9
171.04501	0.8
179.03517	8.8
185.06192	0.5
187.07645	0.9
189.05602	3.9
211.07620	0.6
229.08597	1.5
255.06691	1.3
273.07715	63.2
273.17142	1.6
274.08041	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	271.2282
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
58.59534	0.4
59.01373	1.3
61.69151	0.3
63.36543	0.4
65.81713	0.4
68.99573	2.2
69.20054	2.8
69.20479	1.2
73.02954	0.4
88.61835	0.4
93.03450	0.4
96.78668	0.4
109.02945	0.7
112.98563	1.5
119.05077	0.9
125.02480	0.5
132.05832	1.4
134.97784	0.7
151.00410	0.5
164.04839	0.8
176.98871	2.7
177.13033	0.4
187.11320	4.4
225.22295	4.1
253.21745	1.7
269.21277	1.0
271.06024	1.3
271.22812	100.0
272.23151	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	273.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89339	0.3
57.03460	0.3
59.01382	1.0
59.77549	0.3
67.32886	0.2
69.74265	1.5
71.01401	2.6
71.42269	0.3
72.99317	0.9
78.95912	100.0
83.01394	0.6
85.01465	1.5
85.02953	0.5
88.62174	0.3
96.96030	0.6
96.96970	6.9
98.19941	0.3
101.00951	3.5
102.98870	0.7
110.98544	49.6
114.98890	0.4
117.00456	5.0
123.03057	2.1
125.00953	4.3
126.98920	0.5
141.00458	2.7
141.61064	0.3
144.99965	0.5
150.09610	0.4
155.02098	0.3
156.99942	0.5
164.07669	0.3
167.02025	4.5
167.46799	0.3
168.99922	2.3
171.01472	0.8
179.43672	0.3
185.03076	0.3
197.60641	0.3
198.90526	1.7
200.92088	0.8
201.02600	0.8
211.01027	0.5
214.93671	1.3
215.00516	0.4
229.01971	1.1
240.91592	1.9
241.01207	16.0
255.00006	0.9
272.94293	2.8
273.03824	83.6
274.01648	0.3
274.04190	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	273.0772
Annotation	10-deoxygerfelin
Peak:m/z	Relative Intensity
56.04711	0.9
59.01376	4.3
63.02381	1.3
65.00328	6.9
66.00675	2.0
68.51466	0.9
69.32083	7.6
71.01382	2.7
71.05017	5.7
73.02959	2.2
75.75621	1.0
83.01424	2.0
84.01741	1.1
88.04067	9.6
93.03471	2.2
94.03802	1.2
99.04529	100.0
100.04869	1.7
107.01411	4.0
108.01759	4.0
109.01842	1.9
119.05054	13.5
120.05387	7.3
121.05611	4.9
125.02484	1.9
129.09218	4.6
142.72386	1.2
143.03537	5.7
143.05058	7.1
145.02925	1.3
151.00406	8.6
152.00711	10.3
153.00826	15.7
155.05025	5.5
155.11894	2.6
160.01685	13.5
161.02078	1.0
166.11407	0.9
167.11870	10.7
167.14401	2.3
168.94063	1.1
170.03752	1.0
171.04529	25.1
172.04955	1.6
173.02417	1.9
175.04016	57.8
176.04344	2.9
178.41479	1.1
179.02403	1.3
182.03711	1.1
183.04485	2.9
185.02267	1.1
185.06046	2.9
186.03201	4.7
186.06805	3.4
190.06367	20.1
198.03256	17.8
199.04004	29.2
200.01208	1.5
200.04448	1.4
201.01959	3.7
201.05632	7.2
211.13464	2.4
212.17177	1.0
213.05615	10.1
214.06345	11.1
215.03477	1.3
216.04353	1.3
218.23227	1.1
227.13992	6.3
229.08713	89.8
230.09109	5.2
231.06654	4.4
239.14037	18.1
258.05362	1.8
273.07700	68.5
273.13153	5.3
273.17831	1.6
273.20718	9.6
274.07898	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	273.0772
Annotation	Lecanorin
Peak:m/z	Relative Intensity
54.50587	0.3
57.03457	16.0
59.01382	1.0
65.00334	6.7
72.95992	0.3
79.05545	0.9
81.03468	9.4
83.01396	7.9
93.03475	0.7
99.04527	1.4
117.03490	0.4
119.05051	2.3
123.04544	14.0
125.02463	100.0
126.02801	2.7
145.03035	1.7
145.03996	0.3
147.04526	0.9
163.07672	1.3
167.03464	0.6
225.08189	0.3
229.08597	0.8
271.30099	0.4
273.07712	19.7
273.17175	1.9
274.07996	1.2
276.21964	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31518	1.3
57.03456	2.3
59.01386	100.0
63.02405	4.2
64.55764	1.3
65.00324	3.8
68.80592	1.4
71.54779	2.0
76.85087	0.9
77.35257	1.2
83.01385	1.8
92.38677	1.2
93.03492	1.8
107.01404	4.0
108.02188	3.7
109.02972	3.5
119.05045	4.6
125.02434	5.0
127.25943	1.3
133.03001	1.7
143.04980	1.9
151.00346	6.0
153.02016	1.2
157.06499	1.2
161.06090	2.5
161.84195	1.2
167.14435	24.6
169.01431	1.2
171.04564	1.9
176.98727	1.6
185.06055	2.1
187.04053	1.5
191.14421	6.2
197.06078	4.5
199.04089	2.2
199.07736	1.5
201.01970	1.3
209.15504	42.6
210.15779	2.7
211.13420	21.6
212.13832	2.0
225.05602	1.7
227.03658	2.0
227.16574	8.4
235.13438	1.3
243.02983	3.5
253.05098	6.8
253.14384	8.4
256.03726	1.5
271.02515	28.5
271.06104	51.7
271.09161	1.9
271.15533	92.7
271.22791	4.0
272.03134	2.9
272.06461	3.4
272.15927	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	271.1342
Annotation	Lhotzchromene
Peak:m/z	Relative Intensity
63.02468	0.1
65.00331	1.7
65.03970	0.3
67.01893	0.3
77.04869	0.1
79.05551	0.6
89.03972	0.2
91.01909	2.5
91.05537	0.2
93.03469	2.4
95.01389	0.4
100.30302	0.2
103.05549	0.4
104.02706	0.4
104.69302	0.1
105.07123	0.2
105.19686	0.2
106.04258	4.8
107.05063	1.3
108.02183	0.5
109.02950	0.3
113.30221	0.2
115.05553	0.7
116.19942	0.2
117.03462	0.3
117.07110	0.3
119.05061	0.9
121.02965	2.3
121.06597	0.3
121.10288	0.2
122.03773	2.0
123.00883	0.3
129.07082	0.7
130.04259	32.0
131.04642	0.7
133.02960	2.0
134.03760	0.4
135.00905	0.2
135.04526	0.2
136.01672	0.5
137.02454	0.5
138.03264	1.1
141.03453	0.2
143.05045	18.0
144.05838	5.8
145.02963	0.6
145.06607	19.5
146.06949	0.8
147.04527	0.3
147.08131	0.2
148.01666	0.3
149.02461	2.8
150.03236	3.8
151.00386	0.5
156.05827	0.6
157.06604	16.5
158.03773	0.3
158.07391	4.2
159.04541	5.7
159.08171	16.5
160.05328	1.3
160.08498	0.6
161.02461	9.4
161.06087	3.5
162.03261	4.0
169.06645	0.5
170.07417	1.4
171.04585	0.2
171.08162	4.9
172.05318	0.3
172.08920	1.1
173.06093	4.5
173.09598	0.1
174.06862	0.8
175.04066	0.3
175.11343	0.2
177.05614	0.2
177.12938	0.2
182.02217	0.6
183.08112	1.0
184.05385	0.2
184.08920	0.5
185.06090	1.7
185.09752	0.2
185.13371	0.4
187.04022	8.1
188.04616	0.7
189.05605	0.4
190.06340	1.8
197.09685	0.9
199.11368	0.4
201.05592	6.2
201.12877	0.2
202.06349	2.2
203.07166	0.5
203.14381	0.4
211.11310	1.5
212.12045	0.6
213.05508	0.3
216.04199	0.2
225.12871	1.5
225.22322	0.4
227.14427	14.5
228.14688	0.9
241.08682	0.3
243.13930	0.3
256.11108	0.3
269.11795	0.9
271.13412	100.0
271.22763	1.7
272.13754	6.1
274.94861	0.1
289.14471	54.5
290.14801	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07465	0.5
55.25548	0.6
59.01387	2.2
62.60255	0.5
63.02406	10.8
65.00337	19.8
66.00658	0.7
68.99866	0.7
69.40919	3.3
69.41338	1.4
72.99275	0.7
74.03215	0.6
79.05556	3.3
81.03482	1.3
83.01402	12.3
88.17971	0.6
93.03471	15.5
107.01406	30.7
109.03017	1.1
117.03462	0.7
119.05047	84.6
120.05383	2.4
121.02966	1.0
121.06612	6.7
123.04548	4.3
125.02553	1.5
143.05038	1.3
145.02977	1.9
151.00388	78.0
152.00722	2.3
153.05600	0.9
161.06128	1.4
165.01920	3.2
165.05588	16.4
169.01427	1.7
174.01735	3.3
177.01953	11.1
178.02321	0.6
185.06122	1.7
187.04088	2.5
227.07086	1.2
229.05168	1.0
229.08705	0.7
241.05159	0.7
271.06165	100.0
271.09671	8.3
271.15646	1.9
272.06473	7.5
272.09628	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	2.3
70.99653	3.0
71.01407	3.1
72.99310	2.4
73.02948	1.4
76.66202	1.2
81.03495	1.8
83.01381	3.0
85.02966	1.5
87.00880	2.2
87.14891	1.1
93.03412	1.9
99.00881	4.9
107.05032	1.3
108.02174	2.8
109.06644	1.9
111.08172	1.4
112.98839	8.2
115.00393	1.9
121.06528	1.6
123.08155	1.6
137.06116	1.6
139.07649	1.6
142.99913	6.1
153.05539	4.0
157.40866	1.1
167.07129	1.6
174.01707	100.0
175.02130	2.6
193.05016	3.2
256.07532	1.8
271.02579	1.3
271.15411	2.9
271.22809	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	271.0979
Annotation	396129-53-6
Peak:m/z	Relative Intensity
55.78786	0.8
56.92392	0.7
57.55026	0.9
59.01361	1.0
61.18507	0.8
62.19283	0.9
67.01891	1.1
68.99593	1.4
71.23823	1.7
76.49950	0.8
80.02644	0.9
85.94785	0.9
91.01895	5.0
107.01421	1.8
108.02174	3.8
109.02962	11.5
111.00918	1.1
112.98580	2.0
115.32127	0.8
119.05041	1.2
121.02961	1.3
122.03752	32.5
122.94271	0.8
124.01662	3.4
132.05829	1.6
135.00914	7.6
135.04556	0.9
136.01666	3.0
149.02483	4.9
150.03244	68.1
151.03545	2.7
152.91826	1.0
153.01944	1.4
163.03972	2.0
164.04811	1.7
176.98810	2.2
201.12862	1.5
214.30679	0.9
223.59772	0.9
227.10829	1.0
241.05064	1.0
253.08844	0.9
256.07385	1.7
271.09775	100.0
271.19461	1.9
271.22818	5.6
272.10101	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	269.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.8
59.01381	1.3
62.54772	0.5
69.36871	3.6
71.01393	1.1
71.05024	4.1
72.02171	1.8
73.02921	0.5
81.03432	0.5
85.02944	1.7
87.04523	100.0
88.04868	1.7
89.21558	0.4
95.05043	0.5
98.20609	0.9
99.04531	4.6
101.06098	0.8
109.06618	0.6
120.58511	0.5
125.09784	0.5
126.73653	0.6
130.94720	0.5
137.09764	1.1
163.11264	0.5
164.27437	0.5
165.10313	0.9
165.12764	0.4
188.87984	0.4
189.16528	1.1
207.17531	6.9
208.17873	0.7
209.15509	1.2
223.17126	0.7
227.28603	0.5
251.16429	1.2
269.04532	2.7
269.17596	45.4
270.17999	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	4.4
59.01374	2.3
66.29317	0.8
67.05540	2.3
69.53407	5.3
71.01416	0.8
71.05029	2.8
71.13724	0.7
72.02181	2.0
75.06887	0.7
81.95770	0.7
85.02954	1.7
87.04525	100.0
88.04878	1.7
95.05047	1.5
97.02959	2.0
98.20657	0.9
99.04520	4.5
113.06109	1.6
114.06886	1.3
123.08173	0.8
137.09721	1.7
163.11288	1.7
181.12379	7.4
189.16447	1.1
207.17545	7.6
209.15506	1.3
213.05560	1.1
217.66924	0.8
223.16946	1.3
225.11342	22.1
226.02733	1.2
226.11711	1.0
226.15788	0.8
241.04996	1.7
251.16527	1.0
269.04617	9.0
269.07474	1.4
269.10263	4.0
269.17599	47.8
270.17902	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	269.1297
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
52.27957	0.9
56.71508	0.8
57.03429	0.8
59.01375	1.4
60.49029	0.7
62.96408	1.9
65.00330	1.8
71.53746	1.0
84.76208	0.8
90.97144	1.9
96.88695	0.8
107.01399	1.6
117.03477	4.4
120.04597	1.6
121.02930	0.9
129.96552	0.8
132.98207	1.9
137.02313	0.8
149.02438	1.6
151.00357	2.2
152.91762	1.7
155.47878	0.8
159.04439	1.0
167.14404	1.6
183.09421	0.9
186.95624	11.9
211.08797	4.8
211.13408	1.9
225.05635	0.9
225.10332	7.2
232.87485	0.9
239.08313	4.1
241.13477	3.1
251.11981	1.5
253.09814	2.7
254.06119	1.9
254.10629	25.9
255.11012	2.0
269.04611	21.8
269.12970	100.0
269.21054	8.3
269.24887	4.8
270.04904	1.1
270.13431	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	269.0822
Annotation	Isoliquiritigenin 4'-methyl ether
Peak:m/z	Relative Intensity
59.01388	1.0
62.23219	0.4
62.96414	2.1
68.67885	0.4
69.44898	2.7
71.01407	0.6
83.01388	0.7
83.05050	0.6
89.63965	0.5
90.97132	0.6
91.01929	0.5
93.03461	0.5
105.03477	26.8
106.03796	0.5
117.03506	1.9
119.05044	100.0
120.05384	2.9
121.02947	0.6
121.93579	0.5
123.04544	0.4
133.06627	2.1
145.02988	0.6
149.02461	21.8
150.02835	0.8
152.91795	0.7
163.04118	0.8
167.03514	21.8
168.03835	0.6
186.95648	5.4
225.05542	0.5
254.05914	1.2
269.04684	6.3
269.08209	40.8
269.17792	0.9
269.21259	3.9
269.24850	2.0
270.05795	0.6
270.08542	3.1
281.50006	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	8.6
57.03461	8.4
58.00584	4.3
58.09460	1.4
59.01389	49.0
60.58730	1.1
71.01393	100.0
71.12135	2.1
72.01746	1.6
72.99315	4.1
73.02962	34.4
75.00875	2.1
83.01405	18.3
85.02962	50.7
86.00119	1.8
86.26082	1.2
87.00873	4.1
89.02457	3.2
95.01421	6.5
97.02943	2.8
99.00893	14.8
101.02460	78.9
102.02798	1.4
105.65263	1.6
107.05001	1.6
113.01740	2.2
113.02472	36.9
125.02538	2.7
129.01984	1.8
143.03574	2.1
159.02979	6.8
161.03296	1.6
161.04576	25.2
197.17171	1.5
254.05823	1.5
269.10385	6.9
269.12909	1.5
269.21231	6.7
269.24838	2.3
287.84445	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63922	0.4
55.01884	1.2
57.03448	4.2
59.01391	4.0
59.68697	0.5
65.87525	0.5
67.05537	8.0
69.03461	1.2
71.00211	1.2
71.01410	1.3
71.05029	3.8
71.62985	0.5
72.02182	1.7
73.02991	0.6
83.05036	0.8
85.02946	1.5
85.06607	1.9
87.04526	90.1
87.16695	0.6
88.04859	1.3
91.01902	0.9
93.03460	1.8
95.01353	0.5
95.05030	6.5
97.02969	9.6
97.06604	1.2
99.04520	5.3
101.06105	1.6
106.04273	0.9
109.06597	1.1
111.04556	0.8
112.05302	1.3
113.06101	8.6
114.06884	7.6
121.03023	0.7
121.06625	0.6
125.09760	1.0
127.07603	1.2
135.00894	0.9
137.09708	1.6
139.04042	1.7
139.07654	0.6
142.88924	0.5
153.09251	1.5
153.12872	0.8
161.09735	0.6
163.11305	5.5
170.03703	0.6
174.03233	0.6
179.10722	0.5
179.94867	0.5
181.12369	21.4
182.12675	1.5
189.16632	0.8
196.05168	0.7
197.06068	1.0
207.17535	5.9
209.00923	1.2
209.15518	1.5
211.04259	0.6
212.04431	1.8
212.89139	0.5
213.05589	3.5
223.04070	0.7
223.17224	0.7
225.11340	100.0
226.02806	1.7
226.11703	5.4
240.03987	1.7
241.05183	4.2
249.32138	0.5
251.09297	0.9
251.16647	0.7
254.02306	0.8
268.03564	0.7
269.04544	29.2
269.10367	28.3
269.17603	45.2
269.21121	2.2
269.24933	2.1
270.05002	1.5
270.10770	1.3
270.17889	2.4
273.84528	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0821
Annotation	Isoliquiritigenin 4'-methyl ether
Peak:m/z	Relative Intensity
54.13387	0.5
59.01377	1.3
60.57747	0.5
63.02396	0.8
65.00343	2.1
69.37936	1.9
69.38359	2.1
83.01397	1.0
90.97149	1.3
91.01911	4.8
93.03471	1.4
95.01395	1.1
105.03471	0.6
105.85155	0.5
107.01385	3.0
108.02167	1.6
117.03484	10.6
119.05041	100.0
120.05376	2.7
121.02949	1.6
128.16608	0.5
129.05585	1.5
132.59830	0.5
132.98213	0.8
135.00883	2.7
139.07697	0.7
148.01672	4.5
149.02458	2.6
151.00380	4.2
152.91798	0.9
153.01912	1.5
159.04570	0.6
180.00671	4.6
183.04601	0.8
184.05238	0.7
186.95625	6.0
201.05679	0.7
205.12305	1.9
211.04039	1.9
212.04788	1.9
225.05632	1.9
225.09216	0.5
227.03465	0.6
227.07166	5.3
233.14795	0.6
251.83788	0.5
254.05919	3.1
269.04593	44.9
269.08264	47.3
269.21249	4.6
269.24887	2.6
270.05167	2.5
270.08524	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	269.0821
Annotation	2',4'-DIHYDROXY-4-METHOXYCHALCONE
Peak:m/z	Relative Intensity
53.17714	0.6
55.10891	0.7
59.45726	0.5
67.57131	0.7
68.62518	0.6
69.90651	0.6
69.97316	2.3
75.66743	0.6
78.60867	0.6
83.58131	0.7
91.01909	12.0
92.02704	2.2
93.50660	0.7
95.01398	2.9
97.38527	0.6
98.20513	0.8
108.02190	11.0
109.02979	1.0
119.05042	69.6
120.02165	1.1
120.05387	2.5
135.00905	10.4
145.02983	0.8
148.01683	48.8
149.01987	1.2
153.01949	1.2
175.24117	0.8
179.99092	1.0
180.00671	20.4
184.05305	0.7
209.06058	0.7
211.04059	1.3
214.33873	0.7
227.07190	3.0
243.37534	0.7
253.05119	3.1
254.05885	16.5
254.08427	1.4
255.06139	0.9
269.08215	100.0
270.08521	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	269.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76857	0.2
59.01404	0.2
59.67780	0.2
60.26087	0.2
63.02400	2.5
63.84928	0.2
65.00327	1.7
69.24464	1.0
69.24886	0.8
76.68445	0.2
91.01901	1.5
93.03457	0.2
107.01398	2.1
117.03510	0.4
120.57995	0.2
123.04533	0.5
132.02191	0.8
132.44463	0.2
133.02969	6.1
135.00940	1.2
135.04515	1.5
141.07004	0.2
151.00365	0.5
155.05063	0.7
156.05850	0.3
157.02966	0.9
157.06638	0.2
158.03796	0.2
159.04552	2.4
161.02428	0.5
167.05063	0.4
169.06595	1.2
171.04520	0.7
173.06096	0.2
180.05881	1.1
181.06621	1.9
181.12288	0.2
182.03746	0.5
183.04510	1.7
185.06004	0.2
195.04480	0.7
196.05247	0.8
197.06117	1.5
198.03322	0.3
199.04039	0.7
201.05634	1.7
203.78789	0.2
211.04060	0.9
212.04651	0.3
213.05586	4.0
216.74887	0.2
223.04002	0.4
224.04842	2.0
225.05592	2.1
225.11417	0.7
225.46448	0.2
226.02750	0.7
227.03482	0.5
239.03496	0.3
240.04340	0.6
241.05136	2.8
252.04231	0.3
254.91275	0.2
268.03735	0.3
269.04581	100.0
270.04926	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	269.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21226	0.2
54.50854	0.2
59.01372	0.2
63.02095	0.4
63.02409	6.0
65.00331	2.8
71.55141	0.3
72.46989	0.2
81.03485	0.2
83.01402	0.8
93.03467	0.9
105.03488	0.5
107.01403	4.3
108.01690	0.2
117.03481	12.7
118.03822	0.4
121.02956	0.6
121.48897	0.2
125.00431	0.2
135.04550	1.0
135.89316	0.2
141.03506	0.2
143.04999	0.3
149.02446	2.8
151.00374	2.6
155.05058	0.4
157.06528	0.3
159.04547	3.8
161.02480	1.5
162.02692	0.2
169.06573	0.7
171.04588	0.3
180.05815	0.6
181.06606	1.0
181.12387	0.2
182.03677	0.3
183.04520	1.4
196.05220	0.4
197.06097	1.1
199.04027	0.6
201.05586	1.0
210.03256	0.3
213.05611	0.4
224.04764	0.5
225.05589	2.4
227.03445	1.3
241.05092	0.2
243.89371	0.2
266.91699	0.2
268.03775	0.3
269.04584	100.0
269.21204	0.6
269.24884	0.6
270.04932	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	269.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.3
59.01377	0.4
62.26243	0.1
63.02404	1.9
65.00336	1.3
67.01870	0.1
69.43378	1.1
83.01383	0.2
85.02953	0.2
89.00335	0.4
91.01902	1.7
98.19839	0.3
107.01410	1.8
117.03448	0.4
123.04506	0.4
131.05046	0.2
132.02182	0.7
133.02974	6.2
135.00899	1.5
135.04529	1.2
137.09698	0.4
139.05566	0.1
141.03508	0.2
143.05046	0.2
144.52625	0.2
148.01706	0.2
149.02460	0.3
151.00380	0.3
153.01967	0.3
154.05606	0.1
155.05025	0.5
156.05867	0.3
157.02977	0.8
157.06578	0.2
159.04558	1.9
161.02437	0.6
167.05038	0.6
168.05765	0.1
169.06607	0.9
169.08745	0.4
171.04489	0.5
173.06044	0.3
180.05843	0.9
181.06590	1.4
181.12331	0.4
182.03740	0.5
183.04550	1.5
184.05167	0.2
185.06061	0.4
195.04507	0.9
196.05275	1.0
197.06134	1.6
198.03212	0.5
198.06378	0.1
199.04070	0.8
201.05595	1.3
202.05925	0.2
211.03999	1.1
212.04694	0.2
213.05605	5.6
214.05948	0.3
223.04042	0.6
224.04811	1.9
225.05583	1.7
225.11349	1.8
226.02827	1.1
227.03525	0.5
239.03453	0.8
240.04291	0.8
241.05112	4.7
242.05385	0.2
251.03503	0.2
252.04240	0.3
254.52632	0.2
267.02991	0.2
268.03696	0.6
269.04581	100.0
269.21249	0.7
270.04904	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
62.65012	0.3
64.74436	0.3
65.00321	0.7
68.99818	1.0
69.51443	1.7
69.51852	0.7
71.01398	0.4
91.01907	0.7
93.03459	0.7
95.01392	2.3
108.02197	0.6
109.02991	0.7
110.00105	0.7
111.00893	0.5
115.05545	0.7
117.03479	2.0
119.01347	0.6
119.05042	0.7
121.02933	1.0
123.00907	3.7
127.05581	0.4
129.07114	1.3
130.04243	0.6
131.04990	1.0
132.02177	0.8
133.03023	1.9
133.06598	0.4
135.00929	0.8
141.07108	1.8
141.27586	0.3
143.05054	2.9
145.02971	3.1
145.06616	1.2
147.00896	0.7
151.05458	0.4
153.07108	1.6
154.04295	1.0
155.04994	2.2
157.02974	0.6
157.06557	1.8
158.03722	1.3
159.04538	1.3
160.01686	0.7
161.02434	1.6
167.05074	2.0
169.03192	0.4
169.06624	6.2
170.03745	0.5
171.04536	10.5
172.05219	0.8
173.06087	8.3
174.06432	0.6
179.04967	0.4
180.05794	0.8
181.06589	1.2
182.03746	3.2
183.04521	3.9
185.02475	1.3
185.06062	3.2
186.95587	0.7
187.03845	0.4
195.04515	3.5
196.05313	4.5
197.06094	22.1
198.03267	5.1
198.06380	0.8
199.04031	14.1
200.04567	1.0
201.05609	2.8
207.04541	1.0
211.04041	1.4
212.04749	0.6
213.02263	0.4
213.05588	10.3
214.06004	0.7
221.65662	0.4
222.03246	0.4
223.04016	3.6
224.04739	2.3
225.02002	0.5
225.05597	9.2
226.02745	3.6
226.06245	0.6
227.03558	4.1
239.03539	1.1
240.04288	2.7
241.05090	23.5
242.05531	1.7
250.02742	0.4
251.03522	2.8
252.04239	0.4
253.01523	0.5
253.05028	0.7
254.02209	1.3
254.05858	0.3
255.02966	1.2
267.02930	0.5
268.03760	0.8
269.04575	100.0
269.21240	1.8
269.24857	1.2
270.05154	12.1
286.90912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0459
Annotation	Apigenin
Peak:m/z	Relative Intensity
53.26541	0.2
53.26834	0.2
59.01368	0.2
63.02406	2.4
63.79773	0.2
65.00332	1.5
71.55255	0.3
83.01392	0.4
85.02979	0.2
89.00336	0.4
91.01924	1.3
96.99792	0.2
107.01397	2.2
117.03497	0.6
119.05089	0.2
119.07187	0.2
121.03024	0.2
123.04539	0.6
131.05045	0.2
132.02228	0.4
133.02982	7.1
135.00885	0.7
135.04562	1.8
143.05046	0.3
151.00391	0.6
153.01936	0.3
155.05038	0.6
156.05846	0.3
157.02992	1.0
157.06503	0.3
159.04530	2.7
160.04866	0.2
161.02469	0.5
164.15205	0.2
167.05026	0.3
169.06653	1.1
171.04530	0.5
173.06023	0.2
176.01169	0.2
180.05864	1.6
181.06625	2.1
182.03737	0.4
183.04521	2.3
195.04471	0.6
196.05289	0.7
197.06129	1.2
199.04016	0.8
201.05583	2.0
213.05586	0.7
216.15376	0.2
223.03964	0.3
224.04785	1.9
225.05626	1.5
227.03496	0.5
239.03490	0.3
240.04240	0.3
241.05022	0.7
255.31372	0.2
269.04578	100.0
269.21243	0.6
269.24835	0.3
270.04913	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	267.0666
Annotation	Formononetin
Peak:m/z	Relative Intensity
52.41940	0.3
59.01419	0.7
60.23196	0.2
71.01412	0.3
72.14936	0.2
74.00442	0.3
85.02985	0.3
91.01884	1.4
104.02758	0.2
108.02204	0.3
132.02184	9.0
133.02567	0.3
135.00914	3.8
153.01924	0.7
167.05034	0.6
180.05899	0.6
195.04510	7.7
196.05081	0.5
208.05315	4.6
223.04016	20.6
224.04758	6.6
225.05142	0.4
229.11862	0.4
239.03529	0.9
251.03505	14.5
252.04292	100.0
253.04643	6.1
267.06635	93.5
267.12512	0.7
268.06964	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	267.1242
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
54.01248	1.0
57.03458	4.7
59.01389	100.0
60.01734	1.1
69.36028	6.7
71.01401	1.9
71.05038	3.0
73.02975	1.9
81.07126	2.3
83.01430	0.8
83.05051	1.9
85.02963	6.5
87.00898	1.9
93.03477	1.0
95.05023	2.8
96.96013	1.0
101.02455	0.9
107.05066	1.6
107.35982	0.8
111.23701	0.8
121.02972	2.0
124.37466	0.7
125.06035	1.1
149.09749	1.3
151.07661	1.0
161.09775	3.1
161.13409	1.9
163.11316	1.8
177.09256	1.1
179.10823	9.1
205.12270	0.9
207.10291	3.5
223.09973	10.9
223.13419	42.3
223.17059	3.2
224.10139	1.4
224.13736	3.1
243.24042	0.8
252.04312	2.3
262.15256	0.8
267.06595	2.0
267.12039	2.8
267.16098	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	267.1241
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
57.03448	3.1
59.01389	100.0
70.48754	1.9
71.05035	2.0
79.95744	5.6
80.96535	1.2
83.05038	1.3
85.02985	1.6
87.00898	2.0
103.52415	0.9
125.57603	0.9
128.73647	0.8
131.77374	0.8
140.13620	0.8
140.93245	1.8
161.13371	2.9
163.11296	1.5
207.10268	3.2
223.13417	40.1
224.13826	1.4
236.09695	4.9
267.12463	2.5
267.15970	0.7
268.06909	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	266.0897
Annotation	Adenosine
Peak:m/z	Relative Intensity
59.01377	0.7
59.55556	0.1
60.91930	0.2
65.89915	0.2
71.01386	0.7
73.02944	0.2
85.02957	0.7
87.00882	0.2
87.67906	0.2
88.04037	0.6
89.02452	0.4
91.07382	0.2
92.02554	1.5
98.19894	0.4
101.02444	0.2
107.03649	5.5
113.02467	0.4
114.13508	0.2
132.03049	0.5
134.04742	100.0
135.05087	1.2
151.02692	0.3
161.02502	0.2
184.10518	0.2
191.01956	0.2
213.39531	0.2
231.39221	0.2
247.69701	0.2
266.08978	8.2
267.07181	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0641
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08369	0.3
59.01383	0.5
70.70467	0.8
71.01382	0.4
73.96488	0.3
76.48625	0.3
78.95914	43.8
85.02964	0.5
96.96973	100.0
98.19946	0.3
114.82607	0.4
119.05015	0.3
135.04489	0.4
179.03358	0.5
224.02034	0.3
267.06470	0.7
267.09006	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0664
Annotation	7-HYDROXY-2'-METHOXYISOFLAVONE
Peak:m/z	Relative Intensity
59.01392	0.8
59.77666	0.3
69.87682	1.6
71.01409	0.7
73.02975	0.4
85.73684	0.3
87.25927	0.3
89.21046	0.3
91.01927	1.1
108.02180	0.5
115.92532	0.3
121.02969	0.6
123.04608	0.4
129.19720	0.3
132.02180	9.0
135.00899	3.4
153.01991	0.6
167.05080	0.4
180.05876	0.7
195.04504	6.4
196.05188	1.2
208.05281	4.8
223.04021	21.3
223.17052	0.3
224.04752	6.6
234.13380	0.3
239.03540	0.8
251.03516	14.3
252.04294	100.0
253.04625	5.5
267.06638	93.1
267.12552	0.7
267.16013	1.1
268.04321	0.5
268.07016	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	265.2176
Annotation	Hydroprene
Peak:m/z	Relative Intensity
50.95571	0.4
55.17459	0.4
59.01374	1.2
69.87681	1.3
69.88084	0.8
71.01389	0.5
74.17640	0.4
76.14090	0.4
79.95747	0.8
94.11462	0.4
96.96026	17.1
98.20615	0.4
119.94445	0.5
145.94916	0.4
163.03964	0.7
178.06323	0.6
183.66611	0.4
221.88020	0.4
247.20682	0.9
265.14914	12.7
265.21744	100.0
266.15158	1.3
266.22119	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0671
Annotation	ICM 0201
Peak:m/z	Relative Intensity
59.01386	8.9
59.72464	1.4
67.81834	1.3
69.45567	3.2
69.45975	8.1
84.04548	14.1
84.04940	1.5
85.02955	2.9
86.21185	1.4
90.91879	1.5
91.01904	2.2
92.30355	1.5
93.03468	100.0
94.03809	2.4
100.90876	1.6
102.05617	21.5
118.03007	24.8
121.02975	4.3
128.03560	35.2
130.54866	1.6
136.04059	82.7
137.02458	49.7
137.04225	1.9
138.02798	2.0
146.04626	20.8
160.06578	1.3
160.07661	7.4
162.05618	10.4
178.08746	38.0
204.06715	17.7
209.04514	2.1
209.56885	1.5
212.10606	1.5
222.07756	37.0
223.07983	3.0
248.05588	3.1
261.02991	1.3
262.35797	1.3
266.06711	94.6
267.06940	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.8
67.37333	0.7
68.54231	0.7
69.75566	0.7
71.01384	1.2
71.09084	1.8
73.83883	0.6
76.31411	0.8
82.93594	0.7
96.96000	0.8
99.04561	1.7
101.02441	1.4
108.02205	1.8
110.00085	1.2
111.00906	1.3
121.06548	1.4
122.03707	1.2
123.00883	1.5
124.01654	2.2
134.03766	1.3
135.08163	2.7
136.01701	4.1
137.06033	0.8
139.00372	2.0
139.07643	0.9
147.04553	0.8
147.08189	1.2
149.02408	1.1
149.06097	24.2
149.99580	1.7
150.03250	2.1
151.00345	1.0
152.01164	8.6
153.01906	0.8
163.03990	1.7
163.07643	6.1
164.01184	2.0
165.05620	1.2
167.07126	5.9
168.87425	0.8
177.99144	6.5
178.02582	1.7
178.06392	1.7
178.99858	1.1
179.07153	30.4
180.00685	7.1
180.07448	0.9
189.05594	1.3
190.99924	0.8
191.03523	1.4
191.07162	9.1
192.00655	12.9
206.02242	4.4
206.05862	4.9
207.03020	5.5
207.06639	53.0
208.06996	2.6
217.05038	2.0
219.06743	2.0
221.08243	2.6
221.15508	3.0
222.09018	8.9
235.06126	63.4
236.06512	3.4
250.08485	100.0
251.08736	4.8
265.10760	32.1
265.14462	2.3
266.11035	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1813
Annotation	Pseudopyronine A
Peak:m/z	Relative Intensity
50.90844	0.3
59.01378	0.5
63.03128	0.3
68.99799	0.3
71.01390	0.6
71.54024	0.3
79.95742	0.8
83.01340	0.3
89.05697	0.3
93.03426	0.4
93.32291	0.3
96.96021	23.5
101.02456	0.4
135.04568	0.4
163.04022	0.8
178.06339	0.4
181.15973	2.5
181.75505	0.3
195.17519	1.1
203.18077	0.7
221.19119	100.0
222.19434	5.4
223.17050	15.5
224.17404	0.8
265.12274	2.6
265.14838	16.0
265.18103	42.8
266.15115	1.0
266.18448	2.4
279.82852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06419	0.5
59.01383	2.0
62.40867	0.6
70.58913	1.7
73.61676	0.6
73.90569	0.6
93.07110	1.9
95.05071	1.4
99.00894	3.3
101.02432	0.9
105.82561	0.6
108.02206	0.8
110.00145	0.7
111.00865	1.4
118.04290	1.0
118.33485	0.6
119.04970	0.6
121.06625	4.3
122.03760	2.4
123.04498	0.7
131.04973	0.7
135.04546	2.3
135.08189	2.0
137.02544	0.7
139.00397	12.5
140.01189	6.6
145.06581	2.3
147.04541	0.6
147.08170	1.4
149.02437	3.2
149.06090	5.3
150.03246	3.3
151.03955	1.0
161.02440	1.3
162.03242	1.6
162.94106	0.7
163.04005	1.8
163.07664	7.5
164.04785	1.1
165.05608	1.0
167.07117	1.3
173.06116	2.7
177.02007	1.0
178.02779	6.0
179.03499	1.0
179.07193	2.7
187.09407	0.6
189.01949	0.8
189.05565	3.8
191.03560	2.9
191.07173	6.9
192.04315	35.3
193.04797	1.4
206.02231	24.4
207.06651	45.4
208.06992	2.0
217.05048	2.5
218.05661	0.7
219.06648	6.0
221.04565	11.7
222.08992	2.5
235.06145	54.2
236.06705	3.6
244.88150	0.7
250.08495	100.0
251.08844	4.1
251.68170	0.7
265.10742	19.4
266.11014	1.5
277.73145	0.8
279.51285	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0931
Annotation	8-Oxodeoxycoformycin
Peak:m/z	Relative Intensity
53.80259	0.7
55.01881	1.5
57.03444	3.1
58.00607	0.9
58.39804	0.8
59.01388	40.5
69.68147	2.8
69.68563	1.9
71.01392	21.7
72.99322	1.6
83.01382	2.2
84.25430	0.8
85.02959	22.9
87.00877	1.6
89.02456	21.5
92.25076	0.8
95.01401	1.6
98.20605	1.6
101.02456	15.4
103.04030	34.7
113.02480	8.6
119.03533	8.3
143.03528	1.3
145.05081	1.4
161.04509	1.0
179.05635	1.3
185.58791	0.8
265.09317	100.0
266.09586	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18043	0.6
57.03435	0.5
59.01380	2.1
60.28611	0.5
61.89965	0.6
65.00349	0.6
71.01380	0.9
71.54771	0.7
86.63577	0.5
93.03467	0.5
95.05017	1.6
97.18953	0.5
99.00894	0.9
107.05049	1.0
108.02183	2.3
109.06572	1.2
110.00096	0.7
111.00858	0.7
121.02941	0.8
121.06588	1.8
122.03733	0.9
123.00889	1.2
123.08180	0.7
124.01676	1.6
124.98793	0.9
134.03770	1.5
135.04538	0.9
135.08183	2.0
136.01671	5.5
137.06108	0.6
139.00369	1.8
140.01170	0.8
140.25258	0.6
143.68813	0.5
146.35799	0.5
147.04547	0.6
147.08139	0.7
148.05353	0.7
149.02454	1.4
149.06085	24.1
149.99626	2.6
150.03236	2.5
150.06448	1.1
152.01170	12.0
153.01936	0.7
160.13724	0.5
162.03259	0.8
163.07651	6.1
164.01170	2.6
165.01805	0.8
165.05522	0.9
167.07137	5.7
169.68764	0.6
173.06068	0.9
175.03999	0.7
177.99123	8.0
178.02724	2.2
178.06360	1.0
178.99779	0.6
179.07156	34.0
180.00694	7.4
180.07457	0.9
189.05528	1.7
190.99867	0.7
191.03528	0.9
191.07179	10.1
192.00677	14.4
206.02243	5.5
206.05843	6.2
207.03004	5.0
207.06639	65.7
208.07005	3.0
217.05074	2.5
219.06628	2.0
221.08243	2.7
222.08997	11.0
223.13426	3.7
235.06134	71.0
236.06450	3.2
250.08484	100.0
251.08850	5.3
265.10687	19.7
265.14539	1.2
266.11124	1.3
274.31784	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2016
Annotation	KDC 165
Peak:m/z	Relative Intensity
57.26950	1.0
59.01382	3.6
71.54284	1.9
73.02918	1.1
85.09946	1.3
118.44003	1.1
153.85773	1.1
174.68135	1.2
219.17566	3.4
224.52444	1.5
263.20175	100.0
264.20547	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	264.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	1.6
70.02986	21.3
71.01387	5.4
72.00922	1.4
82.77151	0.9
85.03004	1.0
91.05548	5.1
96.99339	7.3
107.88588	1.1
114.01982	100.0
115.02371	1.0
116.70046	1.0
117.03478	10.3
129.01958	2.8
134.06129	24.8
134.07104	1.7
144.08189	1.9
146.04556	4.8
146.06155	2.1
148.85939	0.9
160.07678	3.5
188.07188	4.0
188.08763	1.2
205.03235	1.0
219.13812	1.0
231.94099	0.9
232.06183	9.9
264.13162	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.093
Annotation	8-Oxodeoxycoformycin
Peak:m/z	Relative Intensity
57.03453	3.4
58.00597	2.1
59.01385	51.4
61.72555	0.5
70.69635	1.6
71.01390	24.7
72.99307	2.2
73.02947	0.7
81.46123	0.5
83.01389	1.2
85.02962	27.5
85.33454	0.6
87.00890	2.0
89.02454	26.6
95.01384	1.3
96.53035	0.6
97.54772	0.6
101.02450	17.2
103.04021	33.2
113.02465	11.7
119.03519	12.3
129.01955	0.8
131.03488	1.0
143.03477	0.7
145.05075	1.6
149.04507	0.6
161.04578	0.9
171.28822	0.7
179.05663	1.4
191.01932	1.3
219.14439	0.6
265.09305	100.0
266.09613	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	3.1
58.00595	3.7
58.19949	1.6
59.01389	100.0
62.20337	1.5
65.24938	1.6
71.01392	57.2
71.52892	2.3
72.99309	3.7
73.02954	5.2
83.01403	2.3
85.02969	20.6
87.00881	2.1
89.02461	70.8
95.01402	6.9
96.96009	3.4
101.02464	34.0
103.04034	19.4
113.02471	25.5
113.93377	1.4
115.27364	1.6
119.03524	32.9
119.44643	1.5
126.03983	1.7
130.08711	2.4
131.03484	3.6
132.03105	1.6
134.04724	2.1
136.09302	1.6
143.03493	3.3
157.10622	1.6
161.04636	2.0
165.74771	1.8
179.05676	3.7
191.01894	2.1
213.00375	1.7
265.09323	60.7
266.09625	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	263.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
67.71249	0.6
69.57425	2.6
81.03465	29.4
83.01391	3.0
109.51041	0.6
151.66765	0.6
161.13460	0.6
166.91734	0.7
179.14418	6.5
219.17567	100.0
220.17931	5.8
221.15497	13.3
221.17537	0.9
263.16537	73.9
263.31317	0.7
264.16827	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	263.1655
Annotation	Clitocybulol B
Peak:m/z	Relative Intensity
59.01402	1.4
65.00333	20.2
71.01397	0.5
81.03462	10.6
83.01399	11.7
93.03452	0.6
95.05044	1.3
98.19861	1.0
101.02431	0.6
107.05024	2.9
109.02998	0.5
109.06600	2.0
119.05047	0.8
120.05832	1.3
121.03001	4.6
122.99961	0.5
123.00849	0.6
175.04012	0.6
177.16351	0.6
179.14467	4.0
186.02455	0.5
191.14427	1.6
219.17551	100.0
220.17889	5.9
221.15492	14.0
262.98279	0.7
263.10651	1.8
263.16528	65.6
264.16864	4.4
267.21625	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1504
Annotation	n-Hexyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.63018	0.9
55.01886	10.3
57.03468	5.9
58.00597	3.4
59.01387	63.6
60.99279	1.0
65.09666	1.0
70.47814	1.0
71.01391	82.1
71.55016	1.2
71.55423	1.2
71.66052	1.2
72.99306	5.3
73.02955	33.7
75.00876	2.7
76.39575	1.0
79.51585	1.2
81.44656	1.0
83.01402	21.1
83.01896	1.2
84.82993	1.0
85.02962	45.0
86.00099	3.5
86.03349	1.5
87.00889	3.5
89.02464	6.6
95.01412	5.3
97.02950	2.9
99.00904	12.1
99.08170	3.4
99.97871	1.1
101.02454	100.0
101.09743	1.7
102.02760	1.4
111.00888	4.9
112.01654	1.0
113.02463	33.0
125.02494	2.0
129.01936	2.0
135.04543	2.1
143.03445	1.8
159.03024	5.7
161.04567	19.2
171.10201	1.3
213.47552	1.2
219.02989	2.9
263.09229	1.5
263.13110	1.5
263.15057	20.1
264.15372	1.2
282.63696	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1503
Annotation	n-Hexyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01879	10.8
57.03451	4.5
58.00587	2.5
59.01387	61.9
70.94529	2.8
71.01392	87.3
71.01790	4.4
72.99322	6.5
73.02956	38.1
77.44209	2.1
82.11143	1.7
83.01393	25.5
85.02966	55.4
86.00116	3.6
86.03307	2.5
87.00888	5.1
89.02464	8.3
95.01408	5.4
99.00909	17.8
99.08168	4.0
101.02454	100.0
111.00890	3.4
113.02466	41.5
119.03503	2.2
125.02473	2.7
125.70315	2.0
129.01970	2.6
159.03008	9.4
161.04550	21.3
166.33800	1.9
171.10402	2.1
178.74835	2.1
205.77892	1.8
205.80028	1.9
208.23276	2.1
263.15079	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	263.1291
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
54.98332	1.3
57.03447	2.0
59.01379	2.9
69.03484	1.4
69.80013	1.3
70.02989	6.5
70.99175	3.3
71.01389	9.5
71.05048	1.6
83.05021	4.7
85.02952	1.9
91.05566	1.5
93.03474	1.6
95.05040	3.1
97.02962	10.6
99.60988	1.3
105.07101	3.1
107.05048	2.4
108.05863	7.2
109.02984	8.3
109.06583	4.1
111.04543	12.2
111.08205	2.5
113.06101	10.9
114.01976	28.8
117.03477	2.4
119.08639	4.4
121.06595	5.0
122.03745	15.7
123.04564	1.8
123.08199	7.6
125.06099	17.9
131.06917	1.9
134.06110	8.4
135.08134	4.0
136.05318	19.9
137.06082	8.5
137.09697	2.5
138.06891	21.2
139.06642	2.5
139.07675	41.5
142.76990	1.3
146.06152	3.0
147.06451	5.2
148.05339	10.2
149.06087	5.2
151.07664	88.2
152.04880	6.7
152.08461	47.8
153.09218	14.9
157.08533	3.9
159.11766	5.6
161.09763	7.1
163.07672	15.6
164.20992	1.4
165.05586	1.5
167.07140	3.6
170.05670	1.4
171.08136	2.2
173.08034	5.8
177.12778	1.3
185.09712	3.1
186.10417	2.8
188.08511	3.0
189.09225	9.4
201.07501	5.8
201.12860	31.4
202.05132	1.8
202.13222	2.2
203.05472	10.7
203.10764	28.1
204.11566	70.9
205.11902	2.9
207.40312	1.7
219.08501	5.5
219.13918	100.0
220.14252	5.0
232.06145	3.4
245.11816	1.8
248.10596	2.4
263.07550	19.8
263.12857	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49719	0.4
58.99616	3.4
59.01395	6.2
69.44023	3.5
74.23771	0.5
80.21365	0.4
85.02955	0.5
87.00903	3.2
87.02726	2.3
98.19876	0.6
108.52127	0.5
118.65602	0.5
123.52926	0.4
131.05399	1.8
133.06955	100.0
134.07268	1.9
142.92668	0.4
158.91212	0.4
168.73502	0.4
203.07503	5.4
221.08566	15.3
221.10699	1.0
222.08990	0.5
263.09467	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	263.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.8
59.01384	3.9
71.01398	7.9
79.05531	2.8
80.02701	2.1
83.05048	3.9
95.05038	2.2
97.02970	13.4
105.07133	4.1
108.05824	8.9
109.02962	11.4
109.06612	3.9
111.04539	15.5
113.06120	8.8
119.08676	8.0
121.06588	2.4
122.03758	13.5
123.08170	8.4
125.06104	21.8
135.08170	3.9
136.05307	19.2
137.06087	7.6
138.06891	22.2
139.07680	35.8
139.48421	1.9
148.05339	11.8
149.06035	6.0
151.07674	75.2
152.04819	7.7
152.08450	39.3
153.09203	10.4
159.11705	5.1
161.09723	7.7
163.07690	14.1
167.07178	2.3
188.08450	2.2
189.09244	7.1
201.12865	32.0
203.10800	26.0
204.11595	70.7
205.11905	3.5
219.13928	100.0
220.14221	6.7
263.12869	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	261.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24342	0.6
57.03424	0.8
65.00334	7.5
69.03456	0.7
69.29640	1.6
69.30041	5.9
76.26561	0.8
77.74072	0.6
79.05529	4.7
80.02691	7.4
81.03010	1.1
81.03467	16.9
83.01397	29.9
93.03460	2.4
95.05040	38.8
96.02171	2.2
97.02975	3.3
106.04276	1.6
107.05066	3.7
108.02148	2.4
109.02949	0.9
109.06605	16.2
111.00880	3.3
115.27051	0.9
120.05796	2.2
121.02954	4.9
121.06594	1.5
124.01660	2.2
128.01157	1.7
131.05042	1.9
133.06625	0.9
137.09782	1.0
145.06532	1.7
146.07408	2.9
149.13339	1.6
159.08176	0.9
160.08907	0.8
162.06935	0.9
175.11302	0.8
175.14903	2.1
177.12845	11.6
187.52155	0.7
189.12904	3.4
199.14853	2.0
217.15982	100.0
218.16385	6.4
219.13940	18.5
220.14192	1.0
261.00470	0.8
261.14972	96.4
262.15323	6.7
267.31586	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0722
Annotation	Dimethylthiambutene
Peak:m/z	Relative Intensity
53.62263	1.3
61.03510	1.7
67.83505	1.4
69.82096	8.2
71.01389	16.6
109.01706	1.7
115.00388	31.4
121.48742	1.4
131.05083	10.2
146.06137	100.0
147.04544	25.7
147.06483	6.0
156.08240	9.0
156.26453	1.7
168.56061	1.6
174.09209	7.0
192.69844	1.4
200.07162	11.1
218.08246	67.4
219.08528	4.9
244.49005	1.5
262.07233	74.5
263.07571	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	263.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32465	1.2
56.97923	1.2
59.01385	100.0
61.39545	1.2
61.96257	1.5
69.33633	5.6
69.34062	4.9
71.01360	2.1
73.02909	1.6
85.02946	4.8
97.45353	1.5
101.02495	1.4
104.20314	1.2
113.02434	4.2
115.68230	1.6
154.66064	1.3
181.12386	5.2
182.72064	1.3
219.13777	1.3
263.02011	1.4
263.07635	1.2
263.10648	2.4
263.13028	3.0
263.16455	1.9
279.23254	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18614	0.8
52.04475	0.9
52.13472	0.7
59.01387	100.0
61.27966	0.9
69.17214	9.4
71.01384	1.7
73.02950	1.3
73.85860	0.8
91.57656	1.0
101.02467	1.1
113.02507	1.2
124.91734	0.9
133.02954	1.4
158.23650	0.9
206.28027	0.9
214.85884	0.9
231.39218	0.8
263.12997	2.1
263.16595	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	259.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	6.3
59.01371	4.5
64.80272	1.4
65.91947	1.1
70.51594	3.0
71.05022	16.7
73.02947	2.4
78.95891	1.7
80.20148	1.0
81.03487	1.1
83.01395	2.3
83.05042	4.0
84.02183	2.3
95.05028	1.8
96.96993	2.3
97.06606	5.4
98.20548	1.4
99.00842	1.2
107.76267	1.1
111.08176	4.4
123.08176	3.1
125.09737	32.3
137.02527	1.3
155.14407	4.2
163.11339	3.1
165.12857	31.8
175.03979	2.0
181.12331	3.1
182.46570	1.2
183.13918	58.3
184.14203	1.8
206.84062	1.5
207.10300	1.5
209.11839	28.9
209.13812	1.7
225.11360	3.0
227.12909	100.0
228.13300	5.3
230.05878	1.8
241.14383	4.0
259.02405	1.8
259.06293	7.0
259.09763	5.0
259.15515	98.8
259.18875	3.4
260.15851	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	259.1916
Annotation	Ipurolic acid
Peak:m/z	Relative Intensity
57.03445	1.6
59.01387	100.0
60.88982	0.7
69.34821	0.9
69.35226	5.3
70.88140	0.6
71.05042	2.6
78.95915	1.0
95.14781	0.7
99.04533	2.8
110.61445	0.7
122.22437	0.7
141.12872	10.4
155.14426	1.9
169.15987	4.2
176.17917	0.6
176.89977	0.7
176.98094	1.1
179.10841	0.9
181.16002	2.6
199.17058	24.0
200.17490	1.2
221.84286	0.9
241.18127	3.5
259.06366	0.9
259.19159	43.9
260.19525	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	259.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07599	0.7
52.79823	0.7
57.03461	0.8
59.01387	100.0
61.27482	0.8
62.37853	0.8
70.08922	3.1
71.05020	1.0
78.95916	1.0
81.66910	0.8
86.83505	0.7
113.02500	1.6
127.11323	4.4
130.80513	0.8
133.02977	1.0
141.12863	3.1
158.03699	1.1
173.06038	1.5
199.17062	17.4
200.17297	0.9
215.07085	1.8
241.18156	2.3
258.98428	1.0
259.06183	1.1
259.19150	39.4
260.19547	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0882
Annotation	(+)-Neothramycin A
Peak:m/z	Relative Intensity
55.04575	0.6
55.49251	0.6
57.25441	0.5
58.02970	1.7
58.58662	0.6
59.01384	5.0
65.74744	0.6
69.41721	4.6
70.02989	9.5
72.04559	4.6
74.02484	100.0
75.02838	0.8
84.04565	1.5
90.60663	0.7
95.05068	0.8
98.02489	23.9
105.49723	0.5
115.99923	0.7
116.03554	49.5
117.03908	0.7
123.70764	0.6
128.03555	5.9
131.03793	1.9
132.04576	32.2
144.04585	6.7
144.63724	0.6
148.43661	0.5
157.07730	1.4
158.06093	1.4
165.02025	0.7
173.07301	1.1
175.04076	0.9
175.08810	2.0
186.03336	0.9
187.04021	0.7
189.72156	0.6
201.06720	11.6
216.67946	0.6
217.10208	0.6
219.07845	3.9
243.03015	0.7
243.07704	1.1
261.04422	1.2
261.08856	25.7
261.13339	1.4
262.09183	1.2
275.94440	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1339
Annotation	(E,Z)-5-(2,6-Dimethyl-1,5,7-octatrienyl)-3-furancarboxylic acid methyl ester
Peak:m/z	Relative Intensity
57.03448	2.5
65.00326	5.4
67.01899	1.3
69.03456	2.2
79.05527	1.3
80.02686	3.5
81.03460	45.7
83.01392	43.0
83.05080	0.9
86.58549	1.1
93.03445	2.5
95.05031	17.8
97.02961	8.6
106.04292	1.1
107.05054	8.1
108.02231	1.4
109.02934	1.3
109.06600	87.2
110.06937	2.4
111.00894	2.8
120.05846	2.4
121.02996	2.0
121.10217	3.1
124.01630	1.8
125.02454	2.5
133.06567	1.8
135.08183	1.7
145.06598	11.8
146.07320	1.2
147.08157	1.4
149.13342	4.7
161.09772	1.5
171.08083	1.3
172.08951	1.8
173.13289	1.9
175.11275	9.7
187.11327	7.3
204.89714	1.1
213.12842	2.0
215.14400	39.3
216.14554	1.2
217.12283	9.6
229.15260	1.3
258.06497	1.3
259.13394	100.0
260.13794	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	259.0228
Annotation	alpha-D-galactose 6-phosphate
Peak:m/z	Relative Intensity
50.72430	1.9
58.40274	1.8
59.01373	4.1
60.57034	1.9
70.72442	4.2
71.01386	5.7
72.00900	1.9
73.02977	3.0
78.95913	73.1
79.95747	2.1
82.02991	7.3
83.01408	2.0
85.02960	2.0
87.05663	2.4
93.03464	2.1
96.96970	100.0
98.02509	4.1
99.00883	7.2
100.04057	3.9
101.02447	4.1
110.89971	1.9
111.00884	6.5
112.98814	12.5
114.05576	2.5
119.05024	3.4
130.05054	2.4
132.06657	3.7
138.98004	5.4
145.01443	2.5
168.99107	3.1
173.00986	3.0
180.06689	6.3
199.00340	2.9
213.05103	2.9
242.06747	3.4
259.02252	15.7
260.02405	6.7
260.07803	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	259.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46485	0.8
59.01113	1.5
59.01385	19.5
71.54571	0.8
71.54920	1.4
74.00575	0.6
78.95905	1.6
96.96965	1.3
109.06583	1.0
125.09779	1.1
127.11274	0.7
137.09743	10.1
147.39799	0.7
152.96992	0.8
153.09322	1.1
155.10794	100.0
156.06549	0.8
156.11111	4.0
171.10278	28.7
172.10641	1.0
181.08733	1.4
197.11836	4.5
199.09779	37.1
200.10187	1.2
215.12964	3.6
217.10823	93.1
218.11145	3.3
228.12648	0.7
259.06226	1.7
259.09348	1.6
259.11865	17.5
259.14941	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1342
Annotation	Pestaloficiol J
Peak:m/z	Relative Intensity
53.62082	0.4
55.01867	0.5
59.01376	0.6
64.42242	0.4
67.48344	0.5
69.53144	3.0
69.53454	0.7
83.01405	0.5
98.20692	0.9
108.02183	0.6
113.02489	0.5
117.07137	0.9
121.02961	1.7
122.52899	0.4
134.78383	0.5
145.06653	0.6
147.04500	0.9
147.08170	0.5
149.02502	2.5
151.83476	0.4
159.04535	0.7
161.02452	1.3
161.06155	1.7
163.03992	0.5
163.07706	0.6
172.05234	0.8
173.06059	3.0
174.33539	0.4
175.04085	2.1
175.07605	2.1
176.08447	2.2
179.07237	0.6
185.06038	1.3
187.04033	1.4
187.07640	5.0
188.04881	0.6
188.08452	7.0
189.05609	5.5
190.06416	3.0
191.07133	0.9
197.09505	0.5
198.06837	1.1
201.05592	1.7
201.09189	0.8
203.07181	3.8
204.07942	12.8
205.08261	0.5
215.07053	1.0
215.10739	0.7
216.07924	23.1
216.11491	1.5
217.08295	1.0
219.55063	0.4
225.09389	0.6
229.08766	1.4
231.13898	7.3
236.07028	0.7
241.12387	1.3
243.10345	0.9
244.11089	1.3
259.13409	100.0
260.13748	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	257.155
Annotation	O-1602
Peak:m/z	Relative Intensity
67.20235	0.5
69.75951	2.6
83.05008	0.8
84.93490	0.6
134.02744	1.1
134.03760	17.7
147.04475	0.7
166.02730	11.3
173.06053	2.2
187.07584	0.8
188.08438	0.9
202.10033	1.3
234.09039	2.6
257.15491	100.0
257.23993	1.9
257.93906	1.1
258.15805	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	257.1762
Annotation	TETRADECANEDIOIC ACID
Peak:m/z	Relative Intensity
59.01386	100.0
61.35806	0.8
71.55190	1.4
83.05059	1.0
97.06601	1.7
109.06612	4.5
114.31094	0.8
127.07678	4.9
195.11542	0.8
197.15450	2.8
219.84558	1.5
221.84232	3.1
239.16577	1.2
244.99490	0.8
257.08340	1.5
257.17603	41.8
257.23807	5.9
258.17874	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	255.2332
Annotation	2-Hexyldecanoic acid
Peak:m/z	Relative Intensity
56.22179	0.5
61.35580	0.5
69.18458	4.5
69.18862	1.0
147.72801	0.6
235.73129	0.6
255.23311	100.0
256.23651	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	257.0821
Annotation	2,2-Bis(4-hydroxyphenyl)-propanoic acid
Peak:m/z	Relative Intensity
59.01388	1.7
65.03970	9.4
71.54654	0.7
81.03432	0.7
83.05046	1.4
91.01917	1.8
93.03471	11.8
95.05035	0.5
106.04260	18.5
107.05043	48.8
108.02194	7.9
108.05368	1.2
109.02970	9.2
111.04552	0.8
119.05047	1.1
121.02966	9.7
122.03762	1.2
123.00843	0.8
135.00916	2.7
138.03276	2.0
150.03270	0.9
151.04028	83.7
152.04384	2.3
153.01990	0.9
163.04091	1.7
169.69331	0.5
171.08220	1.3
190.19640	0.5
211.07547	0.8
213.09232	59.2
214.09492	3.4
242.05811	0.6
256.23663	2.2
257.08215	100.0
257.23953	2.3
258.08585	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76437	1.4
57.03456	7.2
59.01385	14.2
68.91213	1.4
69.03463	3.3
69.24998	5.2
69.25419	7.9
71.01387	4.0
71.05026	24.3
74.61133	1.5
83.05038	4.8
95.05006	1.5
97.02970	5.2
97.06598	21.0
98.19819	2.2
99.00891	20.9
102.81396	1.4
109.06626	2.6
110.03795	1.6
123.08176	10.5
125.09741	100.0
126.10129	3.8
142.02725	2.4
153.09254	6.2
153.12859	1.9
155.20027	1.5
163.11301	21.6
163.12556	1.7
179.10854	2.9
181.12363	63.5
185.11905	1.8
197.11842	2.1
207.10304	37.6
208.10652	2.0
213.15074	1.8
225.11357	80.7
226.11621	3.4
235.97963	1.6
239.12837	3.7
257.04376	4.9
257.08258	2.6
257.13943	40.8
257.17651	5.0
257.23895	8.8
258.14120	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	253.093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98022	2.2
59.01385	100.0
69.35646	18.1
71.01377	3.8
73.02934	2.6
78.31854	2.5
85.02913	3.1
89.32760	2.2
101.02451	4.4
132.24110	2.3
161.04553	5.8
162.36072	2.7
180.15953	2.2
189.49364	2.3
193.07159	23.6
219.54387	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	255.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	0.9
69.63396	2.8
69.63808	1.5
70.56734	0.6
72.99326	0.8
80.53875	0.6
83.79647	0.6
87.00888	17.9
95.05060	1.2
98.20629	0.6
101.68267	0.6
106.04281	0.7
109.02996	0.8
115.00352	0.9
121.02985	1.7
121.29321	0.6
122.03792	3.4
123.04545	100.0
124.04889	2.7
131.05035	0.7
134.67079	0.6
147.04504	1.1
148.05286	1.6
149.06108	24.4
150.03258	3.2
150.06459	1.6
151.04004	1.1
162.86917	0.5
165.05609	15.3
175.04071	0.8
193.05081	13.0
195.03030	17.6
219.03033	2.4
237.04100	2.6
255.05128	61.0
255.23341	8.1
256.05554	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	255.0665
Annotation	Isoliquiritigenin
Peak:m/z	Relative Intensity
51.76756	0.4
55.25817	0.4
58.27020	0.4
59.01397	0.4
70.76694	1.1
91.01907	23.2
92.02249	0.7
93.03465	0.8
103.63146	0.4
117.03542	0.5
119.05039	100.0
120.05380	2.8
135.00900	39.8
136.01227	0.8
144.52124	0.4
149.02441	0.6
149.52957	0.4
151.98927	0.4
152.91772	0.7
153.01959	10.2
169.06427	0.4
172.39133	0.4
194.92787	1.5
213.05548	0.5
255.06657	43.4
255.23312	15.2
256.06921	2.6
256.23654	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1747
Annotation	Phenolic steroid
Peak:m/z	Relative Intensity
59.01373	0.4
71.54512	0.4
74.79652	0.2
78.93209	0.2
89.41489	0.2
107.05054	0.3
119.05032	0.4
121.03775	0.2
125.98302	0.2
132.05829	8.7
133.06631	3.5
145.06607	2.5
147.04483	0.3
149.06084	0.3
152.91708	0.4
164.04810	6.1
165.05426	0.4
171.08130	0.6
172.08932	0.2
176.55432	0.2
185.09828	0.9
193.05112	0.2
194.92789	1.0
199.11287	0.7
200.12074	9.3
201.12386	0.4
232.08638	0.4
232.11049	16.1
233.11330	0.9
255.17569	100.0
255.23260	34.5
256.17892	6.5
256.23581	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1862
Annotation	9-Oxo-2beta-methoxyclovane
Peak:m/z	Relative Intensity
51.64756	1.4
52.58205	1.1
58.99148	1.3
59.01383	4.8
60.98727	1.7
61.71645	1.1
68.99578	5.4
69.49013	1.4
71.54549	1.8
96.20737	1.2
106.01774	1.1
108.58717	1.4
112.98577	10.7
121.02975	1.7
125.45891	1.3
154.97408	7.2
161.02466	1.9
177.01854	1.6
184.50392	2.2
204.04218	2.1
205.01273	1.8
205.15993	32.5
206.16412	1.3
219.06752	1.4
248.08449	2.3
248.58156	3.1
248.97279	4.4
249.00348	1.4
249.09401	3.3
249.14986	51.9
249.18617	100.0
250.14505	63.6
250.18494	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	250.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42297	0.7
58.76302	0.7
59.01383	1.1
68.03904	0.6
69.64168	3.1
71.01389	6.1
88.04052	80.5
89.04385	1.0
91.05555	4.1
97.94900	0.7
114.01989	4.3
115.00388	13.5
117.03476	0.7
132.03044	100.0
133.03378	1.2
134.06166	1.0
135.04539	4.0
155.47893	0.8
205.59274	0.7
206.08214	1.7
232.06177	0.9
250.07231	19.5
251.07538	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56464	4.4
50.68631	4.5
59.01387	65.0
69.45406	4.4
71.01398	5.5
72.99320	6.3
73.48386	3.9
78.08578	4.6
87.33678	3.9
107.06725	4.0
119.05030	10.8
146.57588	4.0
147.04529	100.0
148.12056	4.6
153.01962	6.1
165.05598	78.1
207.06676	6.0
212.53415	5.1
251.10962	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	247.1705
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
53.45366	0.1
59.01361	0.3
71.54094	0.2
83.05034	1.3
89.02432	0.2
119.64234	0.1
174.99217	0.1
181.87860	0.2
184.00200	1.1
186.95644	0.5
191.00911	0.2
204.15134	0.2
205.16002	1.3
216.38417	0.2
220.17078	0.8
225.02512	0.1
231.13997	0.7
247.17049	100.0
248.08075	0.9
248.17387	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	249.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79916	1.1
61.73615	1.2
66.04856	1.4
69.03472	1.7
72.89137	1.0
74.17471	1.3
86.42242	1.3
93.67965	1.2
98.25882	1.2
107.90485	1.2
125.87326	1.1
127.07664	6.0
127.79082	1.2
151.11267	2.3
155.06992	1.6
167.06914	2.3
169.08505	2.0
180.27153	1.2
181.12370	27.4
199.07455	1.3
201.09023	7.0
203.10544	19.0
204.10957	1.3
205.08513	1.3
205.12227	3.5
207.10077	1.5
215.06804	1.6
217.08443	3.5
219.09996	6.7
221.11517	5.8
223.13168	100.0
224.13510	4.0
230.41356	1.4
233.07990	9.4
235.09525	19.6
237.11095	51.1
238.11417	1.9
241.14200	3.7
249.11096	81.5
250.11404	5.1
250.14467	3.8
265.10641	4.6
267.12155	55.1
268.12469	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.15
Annotation	Deodardione
Peak:m/z	Relative Intensity
50.95198	1.0
51.49427	1.0
52.80588	1.1
58.99144	1.8
59.01382	1.4
60.98709	2.3
65.00319	2.6
65.66427	1.2
68.99570	8.1
71.01397	1.4
71.09229	1.4
73.02952	1.4
74.28568	1.2
79.00068	1.0
81.03472	30.1
83.01396	2.9
90.31953	1.0
102.94183	1.0
104.71935	1.0
112.97853	1.7
112.98591	17.6
125.21322	1.3
131.46881	0.9
132.48833	1.1
135.57953	1.0
145.90413	1.2
145.99129	1.1
152.97838	1.8
154.97400	12.6
161.02516	1.3
165.12871	7.1
168.65665	1.1
184.50392	2.6
184.99979	1.4
204.04297	3.1
205.15988	100.0
206.16319	4.5
207.13922	15.3
219.03078	1.1
219.06728	1.6
248.08380	1.4
248.58200	4.2
248.97299	4.5
249.09116	4.6
249.14989	75.1
250.14574	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	246.0985
Annotation	Valinopine
Peak:m/z	Relative Intensity
59.01385	2.5
66.03489	2.9
69.66684	7.9
71.01392	24.1
71.05039	1.6
74.02484	100.0
75.00875	4.9
88.04053	72.5
91.61240	1.2
96.99303	3.4
98.20638	2.2
99.03288	1.5
100.04021	1.4
102.48409	1.2
104.64314	1.0
114.01984	2.3
114.99566	2.6
115.00387	44.5
130.08766	76.4
131.07166	68.8
132.03058	3.7
132.07457	1.4
150.39339	1.1
184.09766	1.7
200.48778	1.2
202.10881	66.5
203.11205	1.7
228.08815	5.6
246.09845	85.1
247.02475	2.3
247.10197	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	247.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	77.1
64.16829	2.2
67.01888	2.3
70.53253	8.3
71.01386	4.0
71.05042	3.7
73.77207	2.3
87.04523	3.5
99.04546	10.0
102.19974	2.8
103.00394	12.0
105.94307	2.5
115.04037	9.0
115.05538	4.7
117.05601	6.0
130.04266	2.7
131.05000	2.6
133.03009	3.4
143.07176	5.1
145.02963	3.6
159.04529	13.1
161.02499	15.8
161.08217	100.0
162.08472	3.9
175.03900	3.2
189.01907	6.8
203.03557	16.8
217.01427	12.7
217.09796	4.4
219.06718	2.6
232.03767	16.0
247.02498	10.9
247.06108	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	247.0978
Annotation	(1Z,2E,4E)-5-(2,4-Hexadienylidene)-5,6-dihydro-2-oxo-2H-pyran-3-propanoic acid
Peak:m/z	Relative Intensity
51.96526	2.5
54.75391	2.5
59.01392	6.2
68.43147	2.3
79.05540	16.4
83.01353	2.4
89.02460	2.7
91.05589	3.0
97.02969	5.7
105.07148	3.5
111.04501	2.6
114.42945	2.3
129.07108	15.2
133.10208	2.4
138.50644	2.4
141.07007	2.6
143.08740	14.5
147.00798	3.3
147.04469	3.1
157.10263	7.9
159.04472	3.4
159.11810	100.0
160.12196	5.3
169.96808	2.6
174.99185	5.6
175.07640	5.4
186.91197	2.4
186.95602	12.6
194.61714	2.3
203.03474	3.0
203.10805	37.0
247.02699	4.2
247.06020	4.8
247.09726	7.8
247.13383	6.1
247.17290	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38252	0.4
54.22958	0.4
57.03449	1.9
59.01387	45.5
70.03731	0.4
71.01370	0.6
78.95924	0.9
82.29989	0.6
93.44264	0.4
98.20716	0.7
113.09756	1.8
119.05016	0.6
125.09724	1.2
127.11311	2.1
139.11307	1.3
141.09294	0.5
152.99551	0.9
153.33197	0.5
155.10776	3.9
157.12360	19.0
158.12659	0.5
165.12973	0.5
167.10757	0.5
171.10320	1.0
185.10246	1.1
185.11853	16.4
201.05559	0.7
201.11360	0.6
203.12904	100.0
204.13226	4.1
209.11696	0.8
227.12970	0.9
234.36734	0.5
245.04440	1.6
245.08391	0.6
245.11600	1.0
245.13950	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	245.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38252	0.4
54.22958	0.4
57.03449	1.9
59.01387	45.5
70.03731	0.4
71.01370	0.6
78.95924	0.9
82.29989	0.6
93.44264	0.4
98.20716	0.7
113.09756	1.8
119.05016	0.6
125.09724	1.2
127.11311	2.1
139.11307	1.3
141.09294	0.5
152.99551	0.9
153.33197	0.5
155.10776	3.9
157.12360	19.0
158.12659	0.5
165.12973	0.5
167.10757	0.5
171.10320	1.0
185.10246	1.1
185.11853	16.4
201.05559	0.7
201.11360	0.6
203.12904	100.0
204.13226	4.1
209.11696	0.8
227.12970	0.9
234.36734	0.5
245.04440	1.6
245.08391	0.6
245.11600	1.0
245.13950	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	245.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25576	0.5
56.12635	0.6
59.01387	31.6
60.72361	0.6
68.44695	0.5
68.79964	0.6
73.18736	0.5
73.34911	0.6
74.08193	0.7
76.73739	0.5
78.95913	1.2
98.19847	1.0
116.05073	0.9
128.10826	0.6
134.06981	0.6
141.12839	1.0
157.08350	0.7
165.12859	4.9
166.05113	1.2
183.13919	29.3
184.14331	1.2
185.11839	100.0
186.12170	4.5
209.11801	0.8
227.12914	9.3
228.13205	0.9
240.04308	0.6
245.04619	1.1
245.13940	61.4
246.14253	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	245.1397
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
51.20849	0.5
52.30076	0.4
57.03446	1.7
58.75191	0.4
58.79967	0.4
69.51643	1.9
69.52050	1.1
71.05010	1.0
73.02979	0.7
77.64425	0.4
78.10721	0.5
83.05048	1.3
97.06597	1.6
111.08157	3.3
125.09721	0.8
155.14479	2.4
158.28389	0.5
163.11395	1.0
165.12869	20.6
166.13185	1.1
181.12308	0.7
183.13919	21.5
184.14221	1.1
199.13467	1.5
201.14978	11.6
207.10326	0.8
209.11856	15.9
210.12230	1.2
225.11324	1.4
227.12901	53.2
228.13153	2.7
245.13956	100.0
246.14270	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02713	2.1
58.02983	25.1
59.01376	3.2
69.82997	2.6
69.83405	7.6
70.02994	18.5
72.00922	6.7
72.04546	5.1
74.02484	100.0
98.02493	24.0
98.19952	3.1
116.03572	32.9
116.04360	3.3
116.05083	38.4
116.18218	1.5
130.06630	4.9
142.06657	9.9
159.09290	6.1
165.09201	2.3
186.05588	3.7
201.10358	12.6
203.08286	99.9
204.08618	4.3
245.04543	3.1
245.09338	84.7
246.09662	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	245.1185
Annotation	Bullerone
Peak:m/z	Relative Intensity
59.01379	0.6
69.71046	3.2
83.01417	0.5
87.00890	0.7
93.03451	0.7
103.05537	0.7
121.06630	1.0
122.03739	0.7
130.04199	1.1
131.05009	1.4
158.03743	2.0
158.39059	0.6
162.03215	1.0
162.91182	0.7
164.04237	0.5
171.04625	0.6
174.99304	1.1
175.04042	7.9
185.09714	5.2
186.95532	0.8
189.09248	0.8
190.02805	0.7
190.06374	22.3
191.06689	1.7
213.09204	7.6
222.05360	20.7
223.05780	1.0
230.05891	0.6
245.11844	100.0
246.12167	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0821
Annotation	Torachrysone
Peak:m/z	Relative Intensity
50.05579	0.2
52.34991	0.2
57.03453	1.6
59.01405	0.4
68.99825	0.2
69.82076	0.2
76.41576	0.2
78.95910	1.0
80.02701	0.6
81.03465	4.6
84.78171	0.2
85.02986	0.2
93.03471	1.2
95.01399	0.2
95.05045	4.3
96.97000	0.3
97.02965	1.9
98.19954	0.5
102.98103	0.2
108.02195	0.7
109.02965	7.7
119.05041	0.4
121.02981	3.4
122.03748	0.8
123.04545	5.8
131.05061	0.7
133.02953	0.5
133.06616	0.5
135.04553	1.4
137.02438	0.5
137.06198	0.3
139.04025	1.2
143.05016	0.8
144.05878	0.2
145.02974	1.0
146.03764	3.1
146.65398	0.2
147.04535	2.7
147.08177	0.3
149.02473	1.9
150.03224	0.5
152.99615	0.3
157.06641	1.7
158.03728	1.2
159.04533	9.4
159.08148	0.3
160.05319	3.3
161.02444	1.1
161.06108	12.0
162.03275	2.3
162.06438	0.4
163.03984	0.6
171.00603	0.3
171.04533	0.3
171.08105	0.2
172.05389	0.3
173.02515	1.1
173.06096	3.6
174.03246	2.7
174.06786	0.9
175.04030	8.5
175.07655	7.7
176.07950	0.3
177.05614	0.3
181.06648	0.2
182.49553	0.2
183.04521	0.8
184.05327	1.0
185.06108	2.7
186.06763	0.5
187.04030	16.2
188.04816	12.8
189.05232	0.8
199.07648	3.2
200.07933	0.3
201.01942	0.8
201.05574	3.4
201.09244	0.3
202.02812	0.2
202.04553	0.4
202.06369	6.0
203.03416	1.1
203.07159	35.5
204.07507	1.7
209.06058	0.4
211.04042	0.5
212.04784	3.5
217.05153	1.2
217.08704	1.6
220.03763	0.2
226.06334	0.4
227.07155	6.9
228.07483	0.4
229.04987	0.2
230.05832	2.6
245.08203	100.0
246.08516	5.1
268.51804	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1966
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
57.03456	9.9
59.01377	1.3
67.21272	0.5
71.05034	6.7
73.02930	1.1
73.60141	0.6
80.02700	0.7
81.03458	0.6
83.05024	1.4
84.02178	4.1
106.46358	0.5
110.02516	0.6
111.00861	1.0
145.35550	0.5
169.16014	3.5
181.16054	0.7
195.17570	1.1
197.19127	41.9
198.19479	2.0
200.92706	0.7
207.17546	8.3
223.17035	0.6
225.11288	1.2
225.18623	19.8
226.19017	1.0
241.18138	4.7
243.02890	0.5
243.06639	0.9
243.19675	100.0
244.19971	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	245.0434
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
51.69080	1.7
59.01388	22.0
69.39357	3.3
69.39763	8.0
71.01390	7.5
78.95914	100.0
83.01381	2.3
88.74741	1.8
89.02464	13.2
93.32707	1.6
96.96982	5.8
101.02474	21.1
107.47072	1.7
112.98827	2.0
119.03519	25.4
132.24867	1.8
139.04024	2.2
145.55836	1.5
152.99606	74.4
162.32918	1.9
171.00673	29.5
182.69446	1.7
183.63271	1.7
192.24780	1.9
209.06711	11.1
209.75121	1.6
210.03180	1.7
245.04343	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	245.0458
Annotation	Pimpinellin
Peak:m/z	Relative Intensity
56.90391	0.7
59.01394	1.5
66.03511	0.9
69.48391	5.8
71.28043	0.8
72.67130	0.8
83.01424	3.9
84.24562	0.8
84.99306	0.8
87.00897	1.8
92.45347	0.8
93.03466	5.0
93.45106	0.8
107.01411	3.2
112.25655	0.8
116.02698	1.3
117.03483	100.0
118.03815	3.9
145.06613	1.2
157.06653	1.0
158.03754	1.8
159.04520	2.4
162.91205	1.8
173.06107	21.1
174.99181	1.3
186.95596	1.4
201.05605	34.2
202.05975	2.2
210.71410	0.8
245.04576	63.1
245.08507	2.1
245.17546	1.0
246.04861	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	243.124
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
69.31190	4.8
71.05025	3.1
79.54948	0.6
83.05071	0.8
97.02952	4.7
97.06599	1.7
99.00891	16.7
110.03741	2.4
123.07253	0.5
123.08101	0.8
125.09747	5.6
142.02774	0.9
153.12860	0.8
155.14464	2.0
163.11305	6.8
181.12363	16.7
199.13428	11.7
200.13895	0.6
207.10271	37.7
208.10603	1.8
225.11339	75.8
226.11601	3.5
243.12386	100.0
244.12799	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	243.1756
Annotation	(-)-Falcarinol
Peak:m/z	Relative Intensity
57.03454	2.5
59.01396	1.7
69.03462	1.8
70.58815	2.0
70.59140	0.7
73.02953	0.7
74.53262	0.6
79.05547	0.9
81.03466	27.5
83.05039	15.9
93.03477	1.6
95.05045	5.0
97.06593	4.3
101.06721	0.9
105.07074	0.9
106.04220	1.0
106.84996	0.7
107.05056	2.9
107.08667	2.0
109.06600	9.2
109.49529	0.8
110.02462	1.0
111.00887	1.2
111.08158	1.2
119.05144	0.8
119.08694	0.7
121.06590	2.0
121.10239	8.5
123.07261	1.2
123.08175	22.6
131.05046	0.9
133.06596	1.8
133.10239	2.1
135.08257	1.8
135.11819	2.4
137.09724	1.7
145.06645	1.3
146.07367	1.8
147.08156	2.2
147.11810	2.9
149.09731	3.0
157.06622	1.2
159.08177	2.5
161.09737	2.3
163.11302	6.2
172.08844	1.3
173.09711	2.3
174.75735	0.8
175.11270	1.8
185.09775	1.0
187.11313	1.2
187.14967	1.3
189.12866	0.9
197.13394	1.0
199.11287	2.2
201.12781	1.5
201.16551	6.1
203.14415	13.3
204.14870	1.1
215.14449	4.9
225.16554	7.0
226.16820	0.8
227.14442	1.4
241.15971	4.4
243.02954	1.3
243.17566	100.0
244.17953	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	243.124
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
54.65250	0.7
54.76179	0.7
55.84370	0.6
57.03455	1.0
59.01381	0.8
69.03443	0.6
69.69847	3.7
71.01359	0.7
71.05029	4.7
80.02685	0.8
83.05048	1.2
86.92467	0.7
97.02966	6.6
97.06604	1.8
99.00893	24.7
109.06641	1.5
110.03755	2.3
111.04514	0.8
123.08132	1.5
125.09726	8.2
127.11292	1.4
135.08174	1.2
136.05301	0.9
142.02701	2.3
153.12912	1.6
155.14401	1.8
161.09804	0.8
163.11304	10.0
178.61914	0.6
179.10875	0.7
181.12360	29.1
182.12732	1.2
185.78925	0.6
189.09203	0.7
197.11894	2.4
199.13419	22.4
207.10280	59.8
208.10652	2.5
213.68684	0.7
225.11342	100.0
226.11658	4.4
243.12393	95.4
244.12743	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.124
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
59.01386	100.0
59.82366	0.8
60.01726	1.1
69.37402	6.0
85.95180	0.6
93.26993	0.9
129.40041	0.8
139.11304	20.3
163.11288	3.1
166.01247	0.6
181.12357	30.9
182.12721	0.9
183.10283	16.5
197.68864	0.7
199.13419	11.5
207.10370	0.8
225.11308	5.8
243.12398	51.6
244.12802	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	243.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.5
53.46959	0.4
54.48997	0.5
57.27140	0.6
67.01902	0.8
69.03465	29.0
69.27419	4.6
70.03770	0.6
79.01900	13.1
80.07572	0.4
81.03484	1.0
82.51712	0.5
85.02983	0.6
86.54636	0.5
91.01888	1.3
95.01398	6.7
97.02965	18.3
97.03593	1.0
107.01408	17.1
108.02190	63.8
109.03082	2.9
110.02477	0.8
111.91514	0.5
121.02953	1.9
123.00903	7.7
125.02466	23.8
126.02707	0.7
135.00900	65.0
136.01218	2.2
137.02448	3.3
137.67244	0.5
139.37289	0.5
141.00743	0.5
151.00356	3.2
152.01170	100.0
153.01498	2.9
161.80630	0.5
184.35587	0.5
193.02606	0.4
194.28487	0.5
197.06015	3.2
213.05550	1.2
215.07242	0.7
229.17580	0.5
243.03011	0.9
243.06651	15.5
243.12474	1.3
243.15950	0.7
243.19745	0.7
244.07042	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.0
59.01387	61.6
71.05049	2.5
71.53846	1.7
71.54185	1.3
72.99307	8.9
81.03461	4.6
83.05011	1.8
85.06653	1.5
85.60680	1.3
87.00897	1.5
97.06606	1.3
99.00884	2.3
101.21921	1.5
107.08681	4.4
108.02214	1.3
111.04580	1.3
121.10213	1.8
123.04549	10.5
125.09740	2.4
135.64172	1.4
139.11293	5.0
141.42064	1.1
153.45848	1.4
155.10860	2.3
156.08093	1.8
163.11299	1.9
172.63206	1.4
181.12384	7.0
183.10274	62.9
184.10567	3.3
186.06743	1.4
191.26007	1.2
199.07666	1.4
199.13448	2.1
200.12862	1.7
201.11339	100.0
202.11575	3.6
207.10291	5.0
225.09470	1.7
225.11415	11.1
243.06754	9.2
243.10161	3.2
243.12361	21.1
243.16051	2.2
244.12779	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03247	1.5
57.03563	4.1
59.01499	2.3
60.17030	0.6
66.97154	0.6
69.03550	0.6
69.24733	5.6
71.01498	0.6
71.04711	1.5
71.05149	8.9
79.95816	1.0
83.05088	0.6
85.06178	1.4
85.06725	7.0
87.04591	0.8
97.06725	2.0
99.01008	1.2
99.08234	1.2
105.94460	0.6
111.04631	0.8
111.08181	3.3
113.06236	0.6
125.06200	1.3
125.09737	7.1
139.07718	1.1
143.07158	3.2
149.06168	0.8
153.12859	3.7
163.11378	1.9
181.12364	16.0
182.12718	0.7
183.10297	0.7
197.11832	4.5
199.13417	100.0
200.13770	4.1
201.11177	0.8
201.12921	0.9
204.00781	1.0
207.10240	2.7
220.00668	0.7
225.11339	8.1
226.11671	0.8
228.11441	1.7
243.02939	0.8
243.12283	41.0
244.12585	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84225	0.8
57.03437	1.2
66.40353	0.9
69.03439	1.0
70.28287	1.7
70.28662	1.9
77.70118	0.8
79.88608	1.1
79.89055	1.0
83.05028	3.0
95.05016	2.2
97.06597	10.7
104.78005	0.9
107.74266	0.9
111.08173	9.4
118.70605	0.8
147.11775	1.1
163.11336	2.8
165.12857	100.0
166.13173	5.4
178.50826	0.8
197.15468	18.1
209.11897	2.7
241.14330	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09997	0.3
59.01383	2.1
70.02975	1.3
71.01392	6.4
71.54971	0.4
88.04051	100.0
89.04367	0.9
96.99326	1.1
114.01980	7.5
115.00385	16.0
126.09242	2.2
127.07668	7.7
132.03044	65.1
133.03386	0.8
152.10800	0.4
188.88937	0.3
198.11342	3.5
224.09225	1.5
242.10362	24.5
243.06548	0.5
243.10690	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.9
61.05866	0.7
66.03483	1.0
71.01388	1.0
71.53507	1.1
78.95935	1.9
79.17666	0.7
81.03471	1.5
82.02987	3.0
83.05031	2.5
85.02956	1.2
86.30618	0.9
87.00887	100.0
88.01247	1.4
93.03465	15.8
96.04546	0.9
97.04098	3.0
98.02487	5.4
99.00904	1.4
107.28702	0.9
109.02961	1.4
109.04102	1.6
110.02512	2.6
111.00887	1.5
111.04556	7.5
112.98807	3.2
116.07175	1.8
126.01971	1.5
126.90427	0.8
127.08854	1.2
128.01787	1.0
136.04022	1.4
137.02457	6.9
137.03593	5.9
139.08752	2.3
142.99875	2.6
145.01299	1.3
155.03500	4.0
169.06245	2.4
171.02368	3.4
171.07867	1.0
173.00999	4.4
199.06116	2.0
200.09332	1.5
212.05621	1.4
213.08838	2.0
243.04907	5.3
243.09866	1.2
244.08170	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	239.2019
Annotation	cis-10-Pentadecenoic acid
Peak:m/z	Relative Intensity
54.94630	0.6
59.01170	0.6
59.01390	7.6
63.15258	0.6
65.00326	0.9
68.99797	0.6
79.01904	1.3
87.00858	0.8
95.01356	1.4
96.96024	0.7
98.20688	1.2
107.01376	0.9
120.83679	0.7
123.00911	1.8
149.06078	2.0
151.00429	0.6
177.05560	0.9
179.03598	0.7
179.05644	2.9
193.86580	0.6
195.13907	2.5
207.04089	2.3
223.02875	4.7
239.06874	10.3
239.20181	100.0
240.06819	0.8
240.20537	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1084
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
50.49615	0.6
55.01887	0.6
57.03456	1.1
69.03468	3.3
71.01385	0.9
71.05033	4.4
76.88348	0.6
81.03480	2.4
83.05039	8.9
95.05035	0.5
97.02976	0.6
97.06615	0.6
98.19951	1.4
116.24291	0.6
123.08157	1.5
125.06161	0.5
125.09744	1.3
127.06271	0.5
137.09738	1.0
148.06702	0.6
150.18289	0.7
151.11275	1.3
153.12881	3.5
156.94527	0.6
161.09758	1.3
179.10793	6.5
195.15053	1.0
197.11850	100.0
198.12180	4.3
213.05600	0.9
213.11850	0.6
213.16093	2.2
223.09717	2.7
228.98853	0.8
239.49977	0.6
241.05229	2.6
241.10838	68.2
241.21748	2.2
242.11130	3.0
254.95142	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1085
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
51.90458	1.5
51.92863	1.6
57.03444	1.9
58.08710	1.6
58.75359	1.5
59.01384	3.7
59.50904	1.7
69.03451	3.1
71.01389	3.0
71.05030	58.2
71.54401	2.7
81.03474	2.3
83.05033	4.2
85.04061	2.4
85.06613	2.5
95.05041	4.2
97.02956	3.2
97.06600	2.8
99.00906	23.4
108.04543	3.2
115.04047	2.3
123.08165	5.2
127.04080	2.3
145.01376	1.8
151.05135	3.9
151.11287	3.9
153.12868	17.3
154.13222	2.2
156.50404	2.1
161.09735	10.8
169.06146	2.9
179.10794	47.9
179.34599	1.6
197.06061	2.6
197.11858	100.0
198.12141	5.8
198.87984	2.0
223.09807	16.2
241.05237	5.1
241.10847	47.6
241.14471	3.2
241.21754	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	239.06
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77103	0.2
57.03436	0.2
59.01382	0.9
59.96719	0.5
70.17823	0.2
70.52540	0.3
70.52883	0.4
72.99300	0.2
74.68547	0.2
74.99080	13.2
75.96239	0.5
75.99049	0.3
85.02955	0.7
90.58002	0.2
91.02223	9.8
93.00141	3.1
96.96024	0.5
106.83512	0.2
135.40137	0.2
149.00966	4.7
149.02101	0.3
149.05980	0.2
150.01059	0.2
150.98883	0.3
165.12773	0.3
179.05594	0.8
195.13792	0.2
206.99718	3.4
208.69540	0.2
223.02850	100.0
224.02892	7.3
239.05888	0.7
239.12862	1.4
241.03873	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0927
Annotation	CMPF
Peak:m/z	Relative Intensity
58.00621	0.7
59.01387	100.0
60.01721	0.9
63.60027	0.7
69.74951	3.4
72.99317	22.6
81.03489	2.6
83.05035	1.2
85.02985	1.1
87.00893	3.0
88.04063	2.9
91.05547	11.0
93.03459	1.0
95.05045	2.5
97.06592	3.8
98.19954	1.0
106.04288	1.8
107.05037	7.9
109.06605	3.9
113.25465	0.7
115.05569	2.2
117.03483	5.5
121.03003	2.0
131.05058	3.6
132.03029	4.9
133.02890	0.6
133.06610	7.4
135.04578	2.7
135.08202	3.0
141.05609	9.9
147.04532	1.5
149.06091	48.2
150.06485	1.6
151.11272	3.3
163.04034	9.8
177.05583	22.9
177.09134	3.6
178.05885	1.4
179.03523	20.9
179.05623	2.7
179.07253	2.1
195.06682	2.3
195.10275	33.3
196.10701	1.2
221.04628	1.1
221.08333	1.2
223.02844	0.7
239.05724	46.9
239.09364	21.6
240.06046	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	239.1292
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.93750	0.5
59.01387	2.9
64.26038	0.5
69.51782	2.2
98.19892	0.7
107.05013	0.5
109.70255	0.4
117.30647	0.5
121.93923	0.5
158.50659	0.4
177.12912	3.7
179.05585	1.7
195.13922	100.0
196.14229	4.8
203.10831	1.1
221.11958	0.8
223.02785	0.6
239.10475	0.6
239.12907	10.2
239.16489	0.7
239.20583	0.5
247.75200	0.5
257.43600	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	100.0
55.46513	0.8
55.48392	0.8
59.01392	7.4
61.98814	1.1
69.52728	5.8
71.01406	5.5
73.02952	3.7
78.95912	3.4
85.02953	2.3
87.04525	64.1
89.02467	1.3
93.03481	1.4
95.01365	1.0
96.96024	2.1
99.00920	0.9
101.02464	5.8
113.02454	2.2
113.06051	1.3
117.03452	0.9
118.28036	0.8
119.05035	1.8
133.06554	1.5
133.10287	1.3
143.08650	3.3
144.05803	2.0
145.03001	2.6
146.07382	2.0
146.56589	0.8
149.06061	1.0
153.83766	0.8
154.90613	1.6
159.08159	11.4
161.04520	1.5
161.09734	49.4
162.10052	2.7
167.76918	0.8
193.12306	2.4
193.15997	1.1
213.30161	0.8
218.99590	0.8
237.03940	1.3
237.07671	1.8
237.11409	10.5
237.14897	5.2
239.80258	0.8
241.08395	0.8
248.94539	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1499
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
56.02118	0.2
57.03433	0.2
59.01385	0.8
63.08119	0.2
65.00325	0.3
71.01379	0.7
73.02973	0.5
81.03449	0.4
83.01393	0.3
85.02985	0.3
93.03506	0.3
95.04997	0.3
101.02450	1.0
113.02483	0.4
113.23746	0.2
119.05064	0.2
121.02990	0.3
145.02948	0.5
151.11234	0.3
153.12888	2.8
167.14421	1.0
175.14978	0.8
191.89824	0.2
193.15987	100.0
194.16316	5.3
195.13914	13.8
196.14200	0.7
229.12195	0.2
230.73210	0.3
237.14972	29.1
238.04974	0.3
238.15303	1.8
241.76546	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1498
Annotation	Oxyphyllenodiol A
Peak:m/z	Relative Intensity
51.68045	0.7
57.03442	1.2
59.01390	7.0
61.98820	1.5
62.28951	0.8
63.43661	1.0
66.06264	0.9
71.01370	4.0
71.54412	0.8
72.99345	1.0
73.02946	2.6
75.00858	0.9
78.95918	2.3
81.73326	1.0
83.01405	1.1
85.02932	2.9
92.24468	0.8
96.95992	2.5
98.15633	0.8
98.89755	0.8
99.00907	0.9
101.02466	5.0
109.06570	0.9
113.02454	3.0
116.92857	1.7
119.05048	1.3
122.03734	5.1
135.04561	0.9
145.02977	3.0
145.51213	0.8
151.07619	1.0
154.90622	1.5
161.04591	1.3
162.06912	4.6
163.07632	3.6
179.10793	100.0
180.11122	3.6
182.01219	0.8
193.12263	0.8
194.98149	1.3
219.13914	2.9
237.04034	1.9
237.07669	2.4
237.11014	3.6
237.14980	92.9
238.05078	0.9
238.10689	0.8
238.15321	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0565
Annotation	(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate
Peak:m/z	Relative Intensity
51.36077	0.9
52.41359	0.8
57.30255	0.9
58.00591	2.2
59.01375	2.3
69.64785	3.7
72.99319	42.1
75.00909	0.9
87.00890	4.2
91.05547	26.0
93.03445	1.5
93.96327	0.9
98.19904	1.7
106.04247	2.6
107.05057	13.1
108.02190	2.0
115.05556	4.3
117.03481	9.5
119.04993	1.0
121.02969	3.0
122.87050	0.9
126.83213	0.8
131.05060	7.7
133.06621	15.4
135.04575	3.2
147.04526	3.0
149.06105	100.0
150.06490	4.3
159.04495	1.6
163.04025	21.5
177.05589	48.0
178.05960	1.7
179.03526	43.8
180.03943	1.2
189.85107	1.0
193.05005	1.3
195.06609	5.5
219.94159	1.0
221.04477	2.8
239.05638	97.4
240.05952	4.4
251.00705	1.0
252.75565	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63549	0.2
59.01369	0.3
67.03802	0.3
67.51160	0.2
69.53539	0.3
70.54379	0.8
75.93146	0.3
101.02425	0.3
107.40192	0.3
134.03763	0.4
135.04596	0.6
136.05304	0.7
143.25592	0.3
148.05316	10.1
149.05948	0.4
149.09737	1.4
162.06798	0.7
176.08492	0.8
177.09233	46.8
178.09560	2.1
190.10069	1.9
191.10831	0.9
192.11591	34.0
193.12004	1.5
201.09181	0.5
203.07178	0.7
217.08710	3.1
218.09496	8.6
236.10558	100.0
237.10941	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	237.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10703	0.7
59.01366	1.6
59.18365	0.6
67.40378	0.6
71.01392	19.2
73.27231	0.6
79.95770	1.5
85.02890	0.7
93.03423	0.8
102.91709	0.6
113.75735	0.8
115.00388	7.8
116.92416	0.7
121.02975	100.0
122.03307	2.2
156.70869	0.7
237.07648	0.8
237.11349	1.2
247.99031	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59715	0.8
57.03450	1.3
59.01381	2.2
70.79274	0.8
71.01379	1.6
71.23109	2.0
75.00878	6.1
76.73163	0.8
78.95911	42.6
80.51997	0.9
85.02953	2.0
87.00886	100.0
91.46869	0.8
92.96006	1.4
101.02445	1.3
110.30754	0.9
111.00842	0.9
114.05727	0.9
120.76802	0.8
129.01949	10.2
136.93974	1.5
142.97604	1.8
154.90477	6.8
154.91756	5.9
154.93469	1.1
156.95415	0.9
178.94830	1.9
178.96161	2.3
198.90546	3.1
218.86870	42.9
218.95528	2.4
219.86844	1.4
236.84160	1.2
236.88060	17.5
237.06201	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	237.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	14.6
57.03456	10.3
58.00595	2.5
59.01385	81.8
69.03462	1.9
71.01387	100.0
71.53437	2.4
72.01700	1.5
72.99315	4.9
73.02954	37.6
75.00879	6.6
78.95914	6.1
83.01398	20.0
85.02962	63.4
85.03477	3.3
87.00879	11.0
89.01924	2.5
89.02451	21.3
95.01396	8.8
95.04578	1.6
97.02905	1.8
99.00885	14.0
101.02449	94.6
111.00868	2.9
113.02457	42.4
119.03518	4.9
125.02436	3.3
129.01956	3.0
143.03503	4.7
146.76001	1.6
159.02948	8.9
161.04576	36.1
200.75029	1.7
237.04330	3.0
237.09822	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	236.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40210	0.8
57.03465	1.1
63.75126	1.0
71.01393	14.2
71.12319	1.5
72.60173	0.9
87.00883	2.9
108.02162	1.5
111.00890	3.5
115.00392	30.4
120.04570	100.0
121.02174	1.9
121.02976	21.1
121.04861	1.7
122.03291	0.9
131.05045	2.2
142.21280	1.0
146.06097	1.8
148.07713	8.6
149.06082	2.8
164.07185	2.6
174.05598	15.7
192.06679	35.7
193.07147	1.6
218.04562	4.8
230.74419	1.1
236.05669	41.2
237.03998	1.3
237.06001	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0726
Annotation	N-Formyl-D-kynurenine
Peak:m/z	Relative Intensity
59.01372	4.0
63.26509	1.1
71.01411	1.5
71.10337	1.3
72.00909	9.4
72.99326	1.4
73.02966	1.1
78.95911	3.4
85.02950	2.2
86.02489	13.8
87.00903	1.7
87.34096	1.1
92.05070	46.5
98.02487	2.8
101.02485	1.2
113.02481	1.2
116.05064	1.7
118.02998	1.7
118.06661	6.3
120.04562	15.3
128.05101	6.5
130.06630	3.6
131.03787	24.5
131.04764	1.6
134.06137	11.0
144.04573	41.9
145.04930	2.3
146.02502	18.8
146.06129	29.2
148.04062	100.0
149.04388	3.2
155.06189	3.7
157.05330	2.3
160.04063	2.5
163.08804	2.6
171.05609	4.9
172.04132	1.7
173.07214	28.1
174.05618	1.9
174.07552	1.3
190.05115	16.7
191.08289	2.9
216.87248	1.3
217.06204	10.1
230.70647	1.1
235.07281	59.1
236.07608	2.5
252.94440	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1341
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
59.01381	4.5
61.44020	0.6
61.98799	0.9
62.55379	0.5
65.00337	5.9
69.03454	0.9
71.01377	1.2
72.22198	0.7
73.02926	0.7
77.97884	0.6
79.95725	2.3
81.03471	21.2
85.02950	0.8
91.01899	0.6
91.18331	0.6
92.92797	1.1
93.52487	0.6
96.95982	0.7
101.02440	1.3
107.05042	1.6
109.06590	1.0
111.00884	0.7
113.02522	0.6
120.05730	0.8
120.61753	0.6
121.02962	1.7
124.01608	0.9
128.01164	0.7
132.05756	0.7
135.67842	0.6
147.00937	0.6
151.07634	1.7
151.11288	3.7
160.08952	3.5
163.03885	0.6
163.11296	2.1
176.90021	0.6
177.09186	0.8
191.14436	100.0
192.14767	4.7
193.12344	12.1
217.16013	1.3
220.03963	0.6
228.98692	0.7
235.06117	1.3
235.09904	1.2
235.13437	43.2
235.17047	17.3
236.10641	1.0
236.13744	2.3
236.17378	1.2
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
52.89153	1.1
57.03442	3.7
59.01387	16.3
71.01386	1.7
71.05017	1.6
71.54221	1.3
80.96445	1.3
83.01391	2.0
93.03482	2.7
97.06621	4.2
99.08170	32.7
103.37683	1.0
103.87638	1.1
109.06596	3.2
111.08175	3.5
123.08185	1.7
125.09721	3.1
127.07624	2.8
129.09230	25.1
132.40369	1.2
135.04497	1.6
138.56769	1.3
141.09256	4.0
143.10794	31.8
147.04564	1.4
152.71660	1.1
161.02502	1.9
163.04106	1.4
171.10297	33.5
173.08205	100.0
174.08521	2.9
189.01868	1.4
189.05641	2.3
189.09599	1.2
189.11330	6.5
205.05125	8.7
215.09247	7.8
233.04684	9.2
233.08464	3.3
233.10332	94.5
233.15477	63.8
234.10695	4.1
234.15813	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	233.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80753	0.2
59.01389	1.9
59.96732	0.7
60.97512	0.5
65.68111	0.2
69.39329	0.3
71.08813	0.7
72.91290	0.3
74.99079	9.3
75.96221	0.3
89.89966	0.3
91.02227	1.5
93.00132	2.0
99.36391	0.3
118.96276	1.5
120.93088	0.3
120.95466	0.2
134.98448	0.6
134.99423	7.7
135.99445	0.3
136.97336	2.5
141.07410	0.5
143.05370	1.2
148.91112	0.2
149.00972	71.6
150.00925	2.8
150.97791	0.3
150.98782	1.3
159.08490	1.7
161.06412	3.6
190.98679	0.3
201.04060	0.3
215.05673	1.8
217.07222	100.0
218.07343	5.8
233.10352	95.5
234.10475	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	234.1502
Annotation	Huperzine W
Peak:m/z	Relative Intensity
59.01377	0.8
59.47022	0.2
65.67712	0.3
69.88568	1.6
70.04962	0.3
71.01443	0.3
71.54736	0.3
72.51522	0.3
74.00402	0.4
89.06541	0.3
91.01875	0.3
98.20025	0.5
119.01378	0.5
179.07106	0.9
207.13884	0.7
218.11888	2.1
234.15004	100.0
235.13002	0.3
235.15331	6.1
244.62752	0.3
251.11684	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	231.1028
Annotation	Drupanin
Peak:m/z	Relative Intensity
51.15988	0.5
54.86943	0.6
59.01370	1.3
71.30257	0.5
72.99303	0.8
75.61555	0.5
78.40470	0.6
82.09590	0.6
98.19934	1.2
98.44823	0.6
132.05829	66.5
133.06166	2.0
145.19101	0.6
155.86125	0.7
159.04543	0.7
164.04810	41.2
165.05168	1.3
170.88411	1.3
176.04776	2.2
187.11302	100.0
188.11667	4.7
208.03827	2.0
211.82558	0.6
229.00864	0.8
231.10283	65.7
231.15981	1.5
232.10553	3.5
253.95171	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1604
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
57.03444	1.2
58.76463	0.3
58.76768	0.3
61.35650	0.3
70.81860	0.3
87.04549	0.6
87.32918	0.3
108.52757	0.3
113.06121	2.2
125.09695	0.5
127.11298	2.2
145.03000	0.4
155.14424	0.9
159.04530	0.5
167.14404	0.4
171.10301	5.0
173.06091	0.3
174.06970	0.4
183.13904	0.4
185.15527	0.7
187.07652	3.3
195.13943	0.7
202.06386	0.8
202.09926	0.6
203.07042	0.3
211.13440	0.4
213.14984	5.3
229.14484	3.5
230.14896	0.3
231.10455	2.7
231.16034	100.0
232.16376	4.8
242.29112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1604
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
57.03456	1.4
69.51106	1.3
71.05019	0.2
71.53194	0.2
78.54506	0.2
87.04511	0.4
91.03523	0.2
114.48958	0.2
125.09681	0.4
127.11301	2.4
146.99129	0.2
155.14450	1.0
167.14441	0.3
171.10297	4.5
183.13872	0.5
185.15547	0.4
195.13850	0.5
213.14996	4.5
214.15250	0.2
229.14484	2.9
231.16029	100.0
232.16364	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	232.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.7
59.26128	0.8
63.39216	0.8
68.17829	0.9
69.41234	6.2
70.02987	56.4
71.01427	1.1
91.05541	7.9
93.03442	0.9
95.97401	0.9
96.99313	9.0
98.19982	2.2
100.30370	0.8
109.44965	0.9
114.01984	100.0
115.02354	1.0
116.05068	1.1
117.03483	32.1
117.07141	1.2
118.03831	1.3
118.06683	1.2
134.06136	17.1
135.04538	1.0
144.08156	1.7
146.06125	7.5
149.21492	0.8
160.07690	4.5
162.07195	1.0
172.04033	1.6
188.07175	8.8
232.06339	2.4
233.15494	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	233.0822
Annotation	Vidalenolone
Peak:m/z	Relative Intensity
51.34004	0.2
54.53107	0.2
55.00776	0.2
55.84947	0.2
59.01383	2.9
60.61391	0.2
63.02416	0.8
65.00349	0.5
69.53759	1.6
73.19019	0.2
93.03474	0.3
107.01405	0.4
139.69174	0.2
149.02419	0.3
161.02460	0.8
175.04013	0.5
176.01160	0.7
189.09238	0.5
193.64957	0.2
203.03523	29.0
204.04283	25.7
205.04800	1.7
218.05823	1.7
233.08206	100.0
233.15471	7.8
234.08542	5.3
234.15794	0.5
236.03333	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0671
Annotation	N-Succinyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
59.01383	1.8
69.42433	9.4
71.01394	2.3
72.01738	1.9
72.04559	25.3
73.02959	8.1
74.03300	1.3
82.02995	72.7
83.01399	2.6
83.03321	1.4
84.04537	1.5
85.02466	1.6
85.02964	23.5
86.03296	1.3
86.09628	1.1
87.33578	1.2
96.04552	5.7
98.02493	92.4
98.99134	1.3
99.00886	3.8
99.02781	1.1
100.01219	2.7
100.04059	16.4
102.05624	100.0
108.04546	6.8
109.04099	1.4
112.01217	2.2
112.98824	5.0
113.99151	7.6
114.00214	15.1
114.09237	2.2
116.04218	1.1
122.06090	1.5
125.06091	7.1
126.01991	33.0
127.05142	8.4
128.03564	6.4
130.02289	1.8
140.07178	1.3
142.03348	22.5
145.06215	1.6
150.05618	3.0
151.03986	1.6
168.06676	36.5
169.06992	1.3
174.01254	4.1
184.06172	18.5
186.02275	9.3
186.07802	7.3
195.07903	1.9
195.09979	1.2
212.05670	57.1
212.07721	2.8
213.06015	2.7
213.08774	4.0
229.99435	1.5
230.01370	15.7
230.06683	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.067
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04552	22.6
73.02953	8.2
82.02995	65.0
83.01419	1.0
84.04543	1.7
85.02959	22.0
92.45241	1.0
97.06615	1.1
98.02486	86.2
99.02840	1.6
99.94610	0.9
100.04061	14.7
102.05620	100.0
103.05974	1.2
109.04091	2.2
125.03538	1.4
125.06068	4.5
126.01988	25.5
127.05148	29.4
128.03560	24.4
131.83792	1.0
135.13466	0.8
140.07187	0.9
145.06232	8.8
150.05569	1.1
151.08487	0.9
168.06688	30.0
184.06172	12.8
186.07780	4.9
188.31563	0.9
195.07761	3.3
212.05661	54.9
213.06010	1.3
213.06679	1.3
213.08804	10.7
230.06728	23.7
231.09874	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	229.1448
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
54.75492	0.5
56.70913	0.5
59.01389	6.8
69.43261	3.1
70.20224	0.4
74.43380	0.4
83.05027	0.5
121.10210	0.5
123.04476	0.6
131.36264	0.5
143.05043	1.6
149.13383	0.9
159.06664	0.5
167.14426	0.6
167.81419	0.4
169.10899	0.7
169.12350	14.1
170.12729	0.7
175.11324	0.8
181.12364	5.9
183.13956	1.2
185.06123	0.9
193.12340	8.8
199.13396	3.4
211.13435	16.7
211.15463	0.9
212.13689	0.6
227.12892	1.6
229.14468	100.0
230.14818	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	229.1447
Annotation	6-Peroxy-7(9)-dehydro-2,3,6,7-tetrahydrogeranyl acetate
Peak:m/z	Relative Intensity
57.98806	0.6
59.01388	100.0
71.55457	0.8
87.88103	0.5
97.06593	3.8
99.04542	3.0
154.69356	0.6
169.12375	7.3
185.05951	0.8
188.92694	0.7
205.98512	0.6
211.13371	2.2
229.14468	25.1
230.14937	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0131
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
50.09315	0.8
59.01373	0.8
61.26567	0.8
66.03498	1.3
69.57027	2.5
69.57439	2.7
70.99638	1.0
73.01180	5.9
79.51376	0.8
80.05070	1.1
82.02985	6.2
84.05885	0.9
96.04564	28.1
98.02485	2.1
98.99127	6.1
102.05616	1.5
108.00035	0.9
108.04572	25.5
114.00209	82.3
115.00556	1.0
125.06129	0.9
142.03337	100.0
143.03606	1.6
186.02318	38.0
212.05678	2.0
230.01297	73.0
231.01556	2.3
231.08676	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0881
Annotation	N-Hydroxy-meIQX
Peak:m/z	Relative Intensity
54.22187	0.4
55.20528	0.5
59.01383	1.0
59.21338	0.5
69.21640	2.4
69.22066	2.1
70.02985	1.1
71.01385	7.4
88.04052	100.0
89.04395	0.9
96.99324	2.0
105.72803	0.5
110.10095	0.5
112.07706	2.1
113.06097	9.3
114.01984	7.0
115.00390	15.9
117.36031	0.5
122.21970	0.4
122.48641	0.5
125.27499	0.5
132.03044	64.0
133.03380	0.7
147.72528	0.5
184.09773	2.8
210.07658	0.9
228.08800	18.1
229.09215	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1447
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
50.73637	0.5
51.29584	0.5
57.03445	0.9
60.29134	0.6
81.82761	0.7
83.18789	0.6
87.44219	0.7
90.20473	0.7
94.77773	0.7
139.11302	0.8
146.83047	0.6
165.12859	1.5
167.14429	42.3
168.14758	1.7
170.88380	0.9
185.15523	1.2
197.52742	0.7
211.13417	58.7
212.13797	2.9
229.02655	0.8
229.14459	100.0
230.14862	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	229.1447
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03451	1.0
64.07372	0.4
83.05031	0.5
85.02955	0.6
97.06606	0.6
102.45509	0.4
113.57381	0.5
123.69569	0.4
125.09760	2.3
127.11318	4.4
155.14395	1.0
165.12857	1.0
167.14445	2.7
171.10268	4.6
183.13959	1.3
193.12320	0.7
209.11913	2.9
211.13417	9.8
229.14464	100.0
230.14842	4.7
230.34662	0.5
240.05022	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1446
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03448	1.6
59.01371	0.5
61.40396	0.3
71.02444	0.7
71.05011	0.5
83.05029	0.7
85.02953	1.2
97.06601	0.3
114.03823	0.3
125.09744	3.4
127.11308	5.6
129.28589	0.4
144.61670	0.3
155.14447	1.7
165.12798	0.8
167.14464	1.6
171.10294	4.7
178.22139	0.4
183.13943	1.1
185.11903	0.3
209.11862	2.3
211.13428	7.0
227.13095	0.5
229.14464	100.0
230.14780	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	229.1449
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
54.53553	0.3
55.25244	0.3
57.03453	1.5
59.01386	7.5
65.57622	0.3
71.05024	1.0
83.05040	0.8
84.02154	0.3
85.02957	1.0
85.06600	0.3
92.93333	0.3
93.03449	0.2
97.06592	0.6
120.22253	0.3
123.08191	0.3
125.09743	4.0
127.11304	5.1
139.11296	0.3
155.14436	3.0
159.06648	0.3
165.12851	1.1
167.14407	2.3
183.13860	0.6
185.15532	0.6
209.11882	2.4
211.13425	3.4
229.14462	100.0
230.14796	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	227.1292
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
57.03453	1.6
59.01379	1.3
60.90305	0.5
69.03461	0.7
70.25138	0.4
71.05024	0.5
80.02695	0.5
81.03469	0.5
83.05035	1.9
83.54174	0.4
84.02170	0.7
89.33574	0.5
90.03007	0.5
97.06599	1.5
98.35711	0.5
109.06574	0.8
111.08177	4.6
117.59042	0.4
163.11284	1.2
165.12862	31.8
166.13181	0.6
181.12344	0.8
183.13919	40.7
184.14256	1.6
191.10834	1.0
209.11850	27.8
210.12230	1.4
227.12907	100.0
227.20171	2.3
228.13222	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	227.1291
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
52.24465	0.3
56.83736	0.3
56.94508	0.3
57.03444	0.3
64.30235	0.3
76.11833	0.3
111.08192	1.0
121.47803	0.3
131.40436	0.3
140.25865	0.3
165.12866	20.9
166.13222	1.1
168.68910	0.3
183.13924	100.0
184.14262	4.3
209.11786	1.1
227.12909	21.8
228.13367	0.7
233.36613	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82376	0.5
51.96917	0.4
57.43718	0.5
59.01379	1.6
60.61370	0.5
61.86483	0.6
69.36840	4.1
70.02971	1.3
70.03336	0.5
71.01396	7.6
72.12423	0.5
76.30215	0.5
78.34887	0.5
88.04052	100.0
89.04375	0.9
96.99339	1.4
98.35834	0.5
105.21710	0.5
112.07697	2.8
113.06119	8.6
114.01985	7.6
115.00391	12.6
132.03046	61.5
133.03323	0.6
154.59772	0.5
156.12080	0.5
157.18822	0.4
166.08711	0.6
184.09807	4.2
187.86009	0.5
210.07681	0.8
228.08797	16.2
229.08968	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03461	0.6
59.01384	0.7
61.98844	0.7
62.53423	0.5
67.01873	0.5
71.30653	0.4
79.11319	0.5
83.05032	0.5
95.01414	0.9
99.92603	0.6
101.65611	0.5
108.02196	2.0
111.08190	1.5
136.01697	1.1
139.11307	0.7
150.99883	0.5
165.12862	19.2
166.13239	0.6
183.13922	100.0
184.14250	4.4
209.11845	4.1
223.41193	0.6
227.07152	2.8
227.12907	21.6
227.16261	2.8
227.20146	4.1
228.13211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0716
Annotation	cis-Resveratrol
Peak:m/z	Relative Intensity
53.73798	0.2
57.03435	0.3
59.01383	0.7
61.35193	0.2
65.00326	0.3
70.00389	0.4
70.00777	0.5
74.97880	0.2
79.63022	0.2
81.03441	0.3
81.18435	0.2
83.01433	0.2
83.05036	0.4
93.03472	0.7
95.05028	0.3
100.89658	0.2
107.01370	0.3
107.04988	0.4
115.05566	0.7
117.03493	1.8
119.05042	1.6
121.02961	0.3
139.11316	3.3
140.11665	0.3
141.07124	2.1
143.05046	26.1
144.05371	1.0
145.02974	1.1
157.06596	3.7
159.08182	5.7
164.38443	0.3
165.12894	0.9
167.05067	0.4
168.05782	0.3
180.05806	0.3
181.06612	2.2
182.07413	3.1
183.04544	0.6
183.08160	6.6
183.10406	0.4
183.13878	2.9
184.05345	0.7
185.06100	24.9
186.06476	0.9
199.07695	0.5
199.13301	0.2
209.11833	1.1
212.04807	0.4
225.05632	1.1
227.07173	100.0
227.12865	1.9
227.19986	1.2
228.07523	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	227.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64608	0.4
55.99336	0.4
56.67697	0.4
57.03446	0.9
59.01378	1.3
69.03480	0.4
72.99350	0.4
97.06594	0.4
111.08189	1.1
165.12866	19.5
166.13203	0.4
183.13918	100.0
184.14246	4.9
199.13159	0.4
209.11839	2.8
227.03711	0.5
227.07198	1.0
227.12915	17.9
227.20166	0.6
228.13174	1.0
231.51826	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
57.03819	0.5
59.01402	1.1
59.52504	0.5
69.03455	0.7
71.01397	1.1
71.01755	0.7
71.05019	1.6
80.02680	2.6
81.03465	1.8
83.01425	0.5
83.05035	7.0
84.02174	4.0
85.02977	0.5
95.05053	1.0
97.06624	0.7
103.75134	0.5
111.08192	0.6
125.06100	0.7
125.09786	0.6
131.03494	1.7
135.08177	0.9
139.11255	0.6
147.11809	0.6
157.11310	0.4
163.11290	5.4
165.12865	8.2
166.79214	0.4
181.12347	1.4
183.13910	4.8
191.10768	1.1
209.11847	100.0
210.12157	5.0
227.11002	0.9
227.12920	6.4
227.16527	0.8
227.20187	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	227.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.6
63.14715	0.4
65.68165	0.4
69.87512	1.8
81.62249	0.4
87.92085	0.4
96.72594	0.3
111.08207	1.3
152.18796	0.4
165.12869	19.1
166.13211	0.9
179.07358	0.4
183.13919	100.0
184.14261	4.8
209.11879	3.5
227.12914	14.7
228.13248	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1135
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
57.03461	0.7
59.01389	100.0
60.01722	0.7
66.29684	0.5
67.86003	0.5
70.46255	1.1
70.46621	1.0
73.34200	0.5
83.09244	0.5
88.53140	0.5
94.85042	0.5
97.06606	2.3
98.19961	0.5
109.06661	0.6
135.08157	1.3
147.08168	3.2
165.09247	1.5
181.12355	1.2
225.11346	27.7
226.11844	1.4
248.21510	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42807	0.6
59.01389	6.3
61.01753	0.6
64.34958	0.7
65.00325	1.9
69.36794	0.6
71.55377	1.1
73.26804	0.6
74.10358	0.6
75.00894	0.6
83.05017	0.7
93.03449	2.7
97.02957	10.7
97.06637	1.0
99.00894	3.0
99.88535	0.6
106.04311	0.7
109.06612	3.8
110.03742	3.9
115.24133	0.6
121.02928	1.2
123.04521	1.6
125.09698	1.4
126.90520	0.8
135.08200	1.8
136.05324	2.0
137.02458	1.9
142.00259	0.6
142.02736	5.4
151.04002	1.2
153.12669	0.7
163.11308	11.5
165.01894	3.5
179.10771	0.8
180.04323	1.0
181.01378	0.9
181.12358	30.0
181.13977	1.6
182.12709	2.1
189.09187	0.6
195.02997	1.3
197.11879	1.7
206.99359	1.1
207.10277	68.7
208.10529	3.5
210.05328	2.0
225.00531	1.4
225.11340	100.0
226.11768	3.8
227.49336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.161
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
51.68548	0.5
52.79903	0.6
57.03450	1.3
58.02998	0.6
59.01390	3.5
61.14383	0.5
69.59292	3.5
69.88613	0.6
70.02965	0.5
81.03469	15.4
83.05035	84.5
84.05382	1.3
85.02996	0.8
88.24938	0.5
89.71146	0.5
93.03497	2.8
94.06627	0.9
98.20702	1.1
108.04568	1.5
125.07215	3.9
137.02463	2.3
138.05615	0.9
143.08273	2.7
151.04021	1.6
163.11357	0.9
165.01994	1.2
181.05077	0.7
195.03015	1.8
207.15067	10.7
210.05380	1.7
217.27037	0.5
225.00465	1.4
225.04015	0.9
225.07721	2.2
225.11397	2.3
225.16109	100.0
226.16451	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	223.1342
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
51.42107	0.4
59.01389	100.0
60.01736	0.8
71.05039	0.7
71.55067	0.8
74.99122	0.5
85.02985	0.8
87.00896	1.6
91.05563	1.2
101.02465	0.7
109.06677	0.7
113.02444	0.6
123.00926	0.6
143.88065	0.6
143.92700	0.5
149.02475	0.5
150.33759	0.6
161.06108	1.0
161.13423	1.5
163.04071	1.7
165.02020	0.9
179.10892	0.6
193.01521	1.9
208.03859	1.7
223.02948	2.3
223.06195	2.6
223.09914	1.4
223.13414	13.5
224.13731	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06079	0.6
51.35902	0.7
59.01385	48.5
62.27461	0.7
79.95750	0.6
83.01389	0.9
85.02964	0.9
93.03477	1.8
107.05054	0.9
111.00954	0.6
119.05034	1.6
121.02959	0.7
122.03769	0.7
123.00896	2.2
123.04543	29.0
134.03748	6.1
137.02458	5.3
137.06105	1.7
138.03273	3.0
139.00412	3.7
140.01160	1.0
149.06096	7.1
150.03242	10.8
151.04025	100.0
152.04308	2.9
153.05591	2.9
154.02730	4.8
155.03514	1.6
156.20273	0.6
164.04803	1.8
165.01944	9.5
165.05588	52.2
166.02707	1.8
166.06369	28.2
167.03490	1.6
167.06721	1.3
177.02014	0.8
179.03568	0.9
180.04335	1.9
181.05090	11.2
181.08684	3.3
192.04329	0.7
207.06769	1.4
210.05334	0.9
223.18037	0.7
225.07710	82.9
226.07935	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	225.0773
Annotation	Massarigenin A
Peak:m/z	Relative Intensity
56.44212	2.4
59.01384	11.5
61.97855	2.2
65.00344	3.6
67.01898	2.8
68.99828	15.9
69.70821	13.0
71.01410	6.2
75.00886	3.9
79.05557	4.8
81.03460	3.7
84.02151	2.2
84.85460	2.2
91.05550	7.5
93.03487	10.9
93.07116	6.8
95.05029	5.7
97.01555	2.3
97.02957	2.9
97.06594	5.0
98.19900	3.2
103.05544	7.4
105.07108	26.9
106.04269	7.7
107.05061	12.9
108.02203	12.3
109.02951	4.5
109.06600	12.1
115.92378	2.3
119.05049	8.1
120.05836	47.5
121.02963	15.2
121.06616	85.4
122.06966	3.0
123.04566	2.9
123.08176	30.9
125.02287	2.4
125.06129	3.2
131.05040	13.1
133.06607	10.6
134.03735	5.1
135.04550	5.0
135.08188	43.3
136.01654	3.7
136.05342	3.6
137.02452	9.7
137.06096	17.2
138.14845	2.2
139.07674	4.6
140.53531	2.3
141.09200	2.8
143.43509	2.3
147.04567	5.1
148.05322	3.8
149.06100	77.2
150.06480	2.8
151.04010	5.5
151.07683	10.7
153.09248	5.7
163.07681	6.2
163.11333	7.0
165.01958	5.3
165.05547	10.9
166.06374	57.5
167.07144	2.6
175.03996	3.0
179.07135	3.1
179.66017	2.3
180.04361	3.7
181.08734	90.1
181.12335	10.2
182.09108	3.2
193.05090	14.9
195.03009	8.8
195.06699	4.3
199.09834	5.4
206.99445	4.2
207.05080	5.5
207.06760	4.0
207.10286	5.4
210.05409	15.8
225.07719	100.0
225.11063	16.6
226.08151	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0977
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
51.95546	4.7
53.86858	3.9
55.66666	3.8
59.01384	41.5
61.98840	8.8
69.19095	4.1
69.34019	38.6
71.01353	4.4
73.02951	9.8
85.02962	10.0
85.46025	3.9
87.00874	4.1
91.05519	8.1
96.36147	4.8
101.02437	7.4
103.47483	4.4
103.55225	4.3
121.02924	6.4
123.00929	4.5
123.04613	4.5
129.30423	4.6
135.04495	6.9
135.11798	33.8
136.01666	4.3
137.02487	7.3
149.02441	4.9
151.03993	6.3
161.06111	11.3
163.03992	18.3
165.01993	14.1
179.10805	100.0
180.08498	4.7
189.55566	4.9
193.01439	40.3
208.03799	39.2
223.02658	11.8
223.06122	37.9
223.09796	8.8
223.13443	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	223.1342
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03465	0.8
59.01387	100.0
60.01725	0.8
60.99322	0.7
61.98841	0.8
67.78740	0.4
71.01388	1.4
71.55226	0.7
72.13185	0.4
81.03478	0.5
83.05065	0.4
85.02963	1.4
87.00893	1.6
91.05564	0.5
93.03500	0.6
95.01424	0.7
95.05052	0.8
101.02483	2.2
107.01430	0.8
109.02956	1.0
113.02386	0.5
121.02975	0.9
123.00858	0.9
125.02452	0.5
133.06589	0.7
135.04568	0.5
137.02437	1.4
139.07718	0.7
149.02448	1.1
151.00343	0.5
151.03949	0.7
151.07588	0.5
161.06055	0.7
161.09843	0.6
161.13379	1.4
163.04025	1.3
163.11320	0.7
164.04752	0.6
165.01958	1.5
179.07196	0.6
179.10802	4.0
193.01418	3.7
205.08748	0.5
205.12360	0.6
208.03766	5.8
223.02638	2.1
223.06076	3.5
223.09924	4.2
223.13394	14.7
224.13667	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1342
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
50.03868	0.9
57.03449	1.8
59.01381	6.1
62.96962	0.9
69.03466	6.9
70.83679	1.5
70.84020	2.3
71.01418	1.1
71.05031	2.2
72.86289	1.0
83.05054	1.3
85.06571	1.2
88.74057	1.1
95.05032	1.2
109.06570	1.2
112.40758	1.1
117.33578	1.0
125.09719	1.5
135.52713	1.0
149.09715	1.9
167.10788	10.9
179.10756	3.8
179.14435	11.9
195.13916	30.9
196.14276	1.4
205.12340	21.1
206.12724	1.7
223.02849	1.7
223.13406	100.0
224.13754	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	223.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30906	0.6
54.25217	0.6
55.01891	5.6
57.03456	19.4
59.01387	11.4
60.49528	0.5
63.08540	0.5
65.48273	0.6
67.01895	1.3
68.99828	1.9
69.46477	3.7
71.01394	14.7
72.99324	6.6
73.02958	2.8
75.00886	6.3
80.01656	0.5
83.01398	11.2
84.02181	2.9
85.02962	100.0
86.03300	1.1
87.00887	3.9
88.01687	1.1
89.02473	0.6
99.00893	0.7
100.88233	0.5
101.02454	12.1
103.00393	1.6
103.04023	1.6
111.00899	46.0
112.01221	1.1
116.27508	0.6
120.50668	0.6
125.02453	1.2
129.01964	29.0
130.02243	0.7
143.03510	1.3
147.03015	5.8
149.02475	1.4
161.04617	2.7
184.35956	0.6
187.02505	2.6
193.01491	1.3
205.03549	35.2
208.03749	1.3
221.80328	0.6
223.04596	27.9
224.04886	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89064	0.5
55.01884	5.1
55.55989	0.5
57.03455	19.0
59.01383	13.3
67.01909	1.1
68.99823	1.8
69.67403	3.0
71.01389	13.6
72.99319	6.1
73.02940	1.7
75.00879	6.2
83.01395	10.3
83.03338	0.5
84.02178	3.5
85.02959	100.0
86.03292	1.7
87.00883	3.4
89.02467	0.7
99.00894	1.4
101.02464	12.0
103.00398	1.9
103.03982	1.2
107.59188	0.6
111.00892	40.0
119.05048	2.7
121.56609	0.5
125.02459	1.1
129.01953	25.0
133.01440	0.6
143.03453	1.2
147.03026	5.0
149.02438	1.2
161.04568	2.1
163.04080	0.9
164.04791	0.7
165.01964	0.6
181.05064	1.8
187.02522	2.1
191.01955	2.8
193.01399	2.1
205.03534	32.2
206.03807	0.9
208.03778	2.0
223.04587	29.4
224.04924	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0614
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
50.72844	1.0
59.01377	2.4
59.85477	1.0
63.55279	1.0
70.83683	2.4
85.61202	1.0
87.00893	17.4
88.23432	1.0
88.32343	1.1
91.05544	81.8
92.05870	3.8
93.82639	1.2
106.02803	1.0
111.87949	0.9
117.07135	19.8
133.06618	36.7
134.06958	1.4
135.04547	4.5
135.26418	1.0
161.06100	59.7
162.06425	2.7
163.04028	98.2
164.04391	4.1
169.03513	1.1
177.05630	2.4
179.07191	6.2
205.05037	1.6
223.06143	100.0
224.06494	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0613
Annotation	Calaminthone
Peak:m/z	Relative Intensity
55.01879	1.0
57.03206	0.8
57.03453	4.5
59.01389	15.6
66.64297	0.6
71.01404	4.9
71.37959	1.2
72.99319	6.2
73.02945	1.4
75.00888	1.8
75.84200	0.7
76.24706	0.6
83.01401	3.9
83.05098	0.7
84.02146	0.8
85.02962	31.9
87.00900	2.0
88.53439	0.8
93.03468	2.2
101.02445	3.9
102.80530	0.6
107.05028	0.8
107.18456	0.7
111.00891	13.2
119.05044	100.0
120.05351	3.3
129.01959	7.6
134.03801	0.9
135.04526	10.5
136.07767	0.6
138.35617	0.6
147.02991	1.9
149.02487	1.0
161.04640	1.0
163.04034	31.6
164.04565	0.9
165.01961	0.8
181.05086	41.3
182.05383	1.6
193.01437	2.9
205.03551	10.3
208.03777	2.9
223.04517	9.3
223.13348	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1548
Annotation	(-)-Kobusone
Peak:m/z	Relative Intensity
56.38172	0.1
59.01394	1.1
68.58350	0.2
98.19910	0.3
127.07654	0.7
146.10997	0.2
148.05302	0.2
149.06073	0.3
151.07651	0.4
154.43886	0.2
162.83931	0.3
164.08437	2.0
177.05560	0.2
181.23343	0.2
205.12361	1.8
206.12706	1.0
207.13892	1.2
207.25896	0.2
220.14711	3.8
221.15479	100.0
222.15826	5.2
228.99588	0.2
235.13422	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0286
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
56.56228	0.1
59.01390	1.3
59.50329	0.1
59.96726	0.8
61.98822	0.3
69.17893	1.4
71.01418	0.3
74.99080	18.2
75.96229	0.8
75.99029	0.3
77.23426	0.1
92.99553	0.3
93.00146	5.1
96.38225	0.1
99.00848	0.1
101.02466	0.1
106.85290	0.1
118.69644	0.1
122.36703	0.1
141.01756	0.2
149.00975	12.6
150.00912	0.4
150.98907	0.7
151.00063	0.1
151.04050	0.3
162.91226	0.1
165.01920	0.2
193.01378	0.6
195.37907	0.1
206.99715	5.5
207.99736	0.5
208.03845	0.7
213.30730	0.1
223.02852	100.0
223.13405	0.6
224.02892	6.6
225.00537	0.1
241.03883	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89595	0.7
55.01886	3.4
57.03456	11.4
58.00604	0.9
59.01386	13.7
63.11544	0.6
64.69447	0.7
68.99813	1.1
69.89977	3.0
71.01395	14.3
72.99307	5.4
73.02929	0.8
75.00878	8.0
76.81915	0.7
77.30605	0.8
83.01401	8.3
84.02160	2.8
85.02962	100.0
86.03291	1.5
87.00877	2.7
89.02432	3.6
89.97397	0.7
97.02975	1.5
98.20028	1.2
99.00902	7.4
101.02465	1.3
103.00397	2.2
110.92612	2.3
111.00896	2.5
112.98775	1.2
115.00368	1.7
115.04050	0.9
129.01956	2.1
133.01434	1.8
133.03259	0.9
143.03519	2.1
147.03011	3.1
149.04533	1.6
158.97086	1.7
159.03011	1.3
160.98645	1.4
163.00711	1.1
173.01012	1.1
186.96481	0.9
191.01993	13.3
194.94763	1.2
203.71671	0.7
222.94179	3.3
223.02734	3.5
223.04648	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	223.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65553	0.7
54.77828	0.7
55.01884	5.6
57.03199	1.0
57.03458	11.7
58.00594	1.1
59.01388	14.9
66.64626	0.6
68.99819	1.6
71.00838	1.2
71.01398	15.3
72.99322	6.3
73.02928	1.0
75.00877	8.1
78.36923	0.6
80.97805	0.8
83.01398	8.4
84.02163	3.3
85.02965	100.0
86.03308	1.5
87.00879	2.7
89.02460	2.8
99.00911	3.6
101.02454	3.5
103.00401	2.1
111.00906	12.1
118.66188	0.6
119.05046	11.4
125.02490	0.8
129.01979	8.2
133.01457	1.9
133.03221	0.8
135.04536	1.2
143.03519	2.6
147.03029	4.9
161.04652	0.7
163.04008	4.2
181.05107	4.6
191.02039	10.6
205.03581	10.5
223.04610	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	221.0821
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
52.53729	0.6
53.93540	0.6
59.01390	16.7
61.83158	0.7
61.98828	2.2
65.00340	0.9
65.03979	0.9
67.27638	0.8
69.54653	4.0
69.55078	1.1
71.01385	0.9
71.05023	0.8
79.05560	0.6
91.01911	1.3
101.02454	0.8
101.40869	0.7
107.05036	2.3
108.02163	1.4
109.02978	0.8
109.06608	4.1
121.02967	8.4
122.03756	12.3
129.68433	0.7
131.05048	0.8
133.02945	1.2
133.10242	1.4
143.05049	2.2
144.05798	2.3
149.02423	0.8
149.06143	1.9
157.06610	10.2
159.08171	21.1
160.08603	1.1
161.04524	0.8
162.83937	2.5
175.07642	1.3
177.01918	0.9
177.05592	2.9
177.09204	7.7
178.98610	1.4
185.05977	0.9
190.99896	1.5
201.05626	2.1
203.07153	78.9
204.07445	3.9
206.02220	2.0
220.99637	2.0
221.08208	100.0
221.11789	4.4
221.15439	3.2
222.08539	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	221.0822
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
53.12014	1.0
57.42862	1.1
59.01384	7.9
69.03461	47.5
71.05029	100.0
72.05362	1.3
75.02407	3.3
79.60371	1.4
85.02985	1.1
93.03474	4.9
98.19859	2.8
107.05052	3.6
113.53379	1.2
121.02969	45.8
122.03292	1.2
134.03767	16.6
135.04498	1.8
144.21239	1.2
147.00899	13.1
147.08156	4.1
149.09703	12.0
165.02022	1.8
175.07713	1.5
177.09200	14.8
190.99869	2.8
193.08705	1.6
206.02196	1.3
221.08231	29.0
221.11699	2.3
234.02022	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
61.46612	0.4
61.98844	3.5
63.92583	0.5
65.00332	2.9
66.03505	0.5
69.03478	0.6
69.67930	2.4
81.03466	70.7
82.03804	1.2
83.05036	2.2
93.03461	1.0
95.05061	0.9
107.05063	0.9
109.06610	0.8
121.03021	0.6
177.12881	0.9
179.14439	14.0
191.14406	1.3
194.57072	0.5
199.57866	0.5
208.72037	0.6
209.86148	0.5
219.17561	100.0
220.17874	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	220.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.0
61.98808	0.4
70.81718	0.7
70.82050	0.4
86.02486	0.4
87.02737	1.8
100.00420	0.7
101.10173	0.3
104.31511	0.3
115.05846	0.4
119.05045	1.8
123.04477	0.4
131.05338	1.5
133.06943	100.0
134.07312	2.2
149.06125	0.9
177.02016	0.4
177.05580	3.4
192.08331	0.4
192.57648	0.3
206.02316	0.5
220.10124	3.4
220.17900	1.2
221.11812	0.4
241.88313	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0876
Annotation	Isoharringtonic acid
Peak:m/z	Relative Intensity
52.65515	0.6
59.01384	2.1
70.38644	2.2
70.38982	0.7
71.01389	1.0
72.99319	32.2
73.02969	1.6
75.00859	1.0
77.76447	0.8
95.08662	3.7
99.08177	2.0
111.08189	1.3
113.09744	14.1
115.07677	1.0
127.07663	7.2
129.09235	100.0
130.09540	3.5
134.73775	0.7
139.07645	2.3
143.07156	51.9
144.07475	1.5
147.04579	1.1
154.55173	0.7
157.08716	28.7
157.09998	1.7
158.09033	1.6
173.08186	5.0
175.09789	1.4
181.73331	0.8
219.08743	46.6
219.17589	4.3
220.09090	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57849	0.5
57.03450	0.9
59.01388	1.7
63.63966	0.5
69.26001	1.0
69.26409	4.4
71.01393	1.0
72.99317	28.4
73.02954	2.2
75.00882	1.0
83.05050	0.7
91.64334	0.6
94.23666	0.6
95.08701	3.4
97.06593	0.7
99.08185	2.6
99.77579	0.6
111.08163	1.2
113.09736	14.8
115.07653	2.5
127.07669	10.6
129.09235	100.0
130.09555	2.8
135.05496	0.7
139.07672	2.7
143.07156	51.6
144.07433	1.5
157.08719	33.7
158.09102	0.8
173.08241	4.4
175.04057	0.7
175.09793	1.6
204.04247	0.8
219.03012	1.3
219.06975	1.8
219.08740	43.1
219.17538	9.3
220.09093	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	218.1036
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
50.17313	0.6
57.09209	0.5
59.01387	2.8
69.57260	3.6
71.01390	10.8
71.05029	19.8
72.00910	0.8
74.02478	1.0
75.83008	0.5
86.60685	0.6
88.04051	100.0
89.04391	1.2
90.03546	0.5
97.02927	0.6
98.20712	1.1
99.04529	5.8
116.07207	2.1
118.03017	2.8
123.69468	0.5
125.02465	0.9
129.05635	1.3
131.01717	1.6
132.04495	1.2
146.02504	7.6
146.08247	47.9
147.02815	0.7
147.08612	1.0
159.06635	0.6
174.01982	7.2
174.05902	2.2
175.03899	0.6
177.05649	0.5
188.55255	0.5
200.09497	0.7
218.00922	1.5
218.04636	1.0
218.08400	0.9
218.10333	26.0
219.02986	1.3
219.06598	1.8
219.10635	1.1
219.17499	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	219.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94408	0.3
57.03458	0.3
59.01388	1.5
69.03462	0.3
71.01384	0.5
71.52911	0.3
72.00908	0.3
74.02493	0.8
82.02988	0.3
83.01416	0.3
85.02960	2.2
86.02487	1.4
87.00884	0.6
87.04536	0.3
88.04056	1.2
89.04376	0.4
92.05074	1.7
96.26387	0.2
97.02949	0.3
115.04014	0.8
120.04582	0.7
121.02943	0.3
121.06581	0.3
128.05066	1.0
128.10252	0.2
129.01947	0.9
129.05617	0.3
130.06631	2.7
131.03770	1.0
132.04543	0.8
134.06117	0.8
135.04465	0.3
141.04536	0.3
144.04584	1.2
144.06792	0.2
146.04930	2.1
146.05991	0.5
146.08238	0.3
147.08537	0.4
149.06123	0.5
157.07730	100.0
158.03777	0.3
158.06142	0.5
158.08087	3.4
159.03029	1.1
159.04521	0.6
173.02267	0.3
175.04001	0.8
175.07584	0.4
175.08798	2.5
177.05591	1.0
201.06790	3.0
204.04315	0.5
219.02992	0.8
219.08049	7.9
219.10268	0.4
219.17569	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	215.0926
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
52.60360	0.6
59.01386	100.0
63.46262	0.5
67.55801	0.5
69.40811	4.2
73.08312	0.5
78.05280	0.8
80.48550	0.6
111.08175	9.0
123.31101	0.6
144.00964	0.8
153.09230	6.8
154.09645	0.6
155.07152	4.7
171.10284	16.8
172.10649	0.8
197.08224	1.8
214.96590	0.6
215.01025	8.3
215.03108	0.9
215.07155	0.4
215.09250	11.2
216.09599	0.9
233.92615	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.129
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
57.03447	1.3
58.52316	0.5
59.01379	1.2
70.85651	1.3
71.01391	0.6
92.87836	0.5
97.02930	0.9
108.84888	0.6
125.09729	1.9
127.22896	0.6
144.00934	5.9
151.11317	0.8
153.12868	49.6
154.13196	2.6
171.02063	0.8
171.13899	1.3
172.05376	0.7
197.11848	57.2
198.12199	2.2
200.04813	6.9
215.01024	38.0
215.07162	24.1
215.12892	100.0
216.01297	2.3
216.07462	2.1
216.13255	4.4
231.35469	0.5
232.03819	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	213.1134
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
59.20791	0.5
61.98862	0.5
66.92008	0.5
67.81767	0.4
68.94749	0.4
69.03450	0.9
69.79720	1.7
69.80131	0.8
97.06556	0.6
116.07198	1.5
140.35185	0.4
151.11302	11.9
159.68007	0.6
169.12357	100.0
170.12692	4.4
183.13863	0.5
195.10405	0.5
197.99084	0.9
201.04291	0.5
213.09283	1.1
213.11333	12.7
213.14735	2.4
213.18559	1.1
214.01555	0.5
214.11554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1499
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01373	0.6
61.01209	0.2
66.03475	0.3
70.49701	0.3
70.50034	0.6
82.88150	0.2
89.17976	0.2
97.06660	0.3
97.12421	0.3
99.44122	0.2
143.62137	0.2
165.12891	0.5
167.14423	0.2
168.90869	0.3
169.12186	0.3
177.12781	0.6
183.13916	28.6
184.14240	1.2
195.13921	24.0
196.14256	0.8
211.13423	0.8
213.14977	100.0
214.15311	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	212.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.34871	1.2
66.03477	1.4
67.01897	4.6
68.99824	12.8
69.03469	1.8
73.02949	2.1
75.00900	1.7
81.03466	1.9
82.03002	3.2
83.01395	3.2
85.02944	2.4
93.03471	3.2
94.02994	6.1
95.01392	19.8
96.00895	1.6
97.02972	1.2
97.71639	1.3
98.02495	1.2
106.28581	1.1
108.04580	5.3
109.02972	3.6
112.04034	1.7
136.04059	24.7
137.02461	100.0
138.01936	2.6
138.02869	2.4
139.04034	3.8
152.03561	2.2
153.01599	1.4
168.06679	3.2
169.05084	59.6
170.05492	2.1
180.03014	2.5
194.04590	1.6
212.05640	16.9
212.07475	1.9
213.00272	2.3
213.07692	1.7
213.15088	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26184	0.7
59.01389	5.4
60.99308	1.2
62.78712	0.7
66.64738	0.8
71.54806	1.0
81.03439	0.9
83.05009	1.9
85.02995	0.8
95.01412	2.6
95.05035	0.8
97.06612	4.3
109.02960	1.6
121.02955	1.0
123.00885	1.4
123.04467	1.2
125.04343	1.1
139.07706	1.2
149.13379	1.9
163.04008	1.1
164.98317	0.8
165.12862	3.3
166.91142	0.8
167.07539	0.9
167.10829	1.8
167.14464	5.1
181.01497	1.4
183.13971	1.0
193.12343	7.3
196.03792	2.5
209.11868	1.2
211.04103	1.1
211.06064	2.0
211.13412	100.0
212.13710	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	211.1342
Annotation	Putaminoxin
Peak:m/z	Relative Intensity
51.77139	0.5
57.03442	0.5
59.01383	3.6
60.99315	0.7
66.80032	0.5
69.37727	1.2
69.38139	3.0
81.03458	0.7
83.05045	0.9
93.02428	0.6
97.06602	4.6
98.19915	0.9
109.02956	0.6
109.06577	0.8
139.07648	0.8
149.13374	3.0
165.12881	2.1
166.91075	0.7
167.14412	6.1
176.47443	0.6
193.12328	8.5
209.11818	1.4
211.13403	100.0
212.13744	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1342
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
56.29523	0.3
57.22927	0.3
59.01377	1.3
61.38032	0.3
61.98830	0.9
65.72343	0.3
67.01865	0.3
69.03456	1.2
71.01360	0.3
71.54036	0.5
83.05058	0.6
95.01396	0.9
97.02915	0.3
107.13770	0.3
111.08064	0.4
115.14423	0.3
121.02979	0.5
123.00887	0.4
124.04008	0.4
125.02409	0.4
125.04401	0.6
137.02441	0.5
139.00336	0.5
149.02493	0.3
153.05569	0.4
155.10756	0.6
156.93916	0.7
165.12834	0.6
165.74649	0.4
166.91074	1.3
166.99918	0.4
167.10793	1.5
167.14470	1.8
181.01418	0.4
181.05103	0.4
183.13913	15.6
184.14259	0.4
192.97810	0.4
193.01431	0.5
193.12355	3.8
196.03737	0.4
210.91467	0.6
211.13406	100.0
212.13756	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	209.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80722	0.4
57.03450	1.4
59.01384	2.4
68.99833	0.5
71.01384	3.1
71.02805	0.9
72.99317	0.8
80.02694	2.3
81.03474	2.8
83.01391	0.4
83.04525	0.5
83.05032	9.1
83.05496	0.7
85.02958	8.9
87.00893	0.4
89.02452	1.4
91.01902	0.4
92.78915	0.4
93.03457	1.1
95.05052	2.0
96.03772	0.3
97.06638	0.7
109.02965	0.4
109.06600	0.7
120.02197	0.5
121.02972	26.8
122.03278	0.6
124.04050	2.1
125.06087	1.2
129.01952	0.6
133.01439	1.0
135.08157	1.1
137.02466	0.5
137.06177	0.7
147.03050	0.5
147.11836	0.5
149.02469	0.8
151.00409	0.4
151.07747	0.4
161.02502	0.6
163.11310	7.9
164.98415	0.4
165.09218	1.0
165.12886	5.3
177.09381	0.4
179.03519	1.3
181.12415	1.5
191.02025	0.5
191.10822	1.2
194.02138	0.7
194.05893	1.0
200.09576	0.3
209.02957	1.8
209.04605	5.1
209.08359	2.6
209.11848	100.0
210.12169	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1186
Annotation	Pulchellon
Peak:m/z	Relative Intensity
57.03457	3.1
59.01384	3.2
61.98832	8.3
65.00327	0.8
66.03502	1.0
67.01877	0.7
69.03474	1.7
69.43531	1.3
69.43943	3.3
71.01392	12.0
71.05042	0.8
73.02961	0.9
73.56403	0.6
80.02690	1.5
80.91702	0.9
81.03465	1.4
83.01399	3.4
83.05045	2.7
84.02180	1.1
85.02963	5.9
88.81490	0.7
91.01897	2.1
92.99822	4.2
93.03463	2.1
94.03033	3.4
95.01392	1.5
95.05027	1.1
96.96024	1.9
97.06607	2.7
108.02233	1.0
109.03017	1.0
111.08169	1.6
118.94219	2.2
120.02194	1.3
121.02969	100.0
122.03320	3.0
123.00887	0.7
123.08176	1.5
124.04036	6.4
125.02467	1.0
125.09734	6.9
135.08128	1.1
136.01685	1.7
136.98834	1.5
137.02441	1.4
144.38690	0.8
147.11859	1.1
149.02463	1.1
151.11301	13.8
153.12866	2.2
161.02455	0.8
161.09677	1.0
163.11275	5.8
164.94150	0.8
164.98300	2.2
165.09221	1.2
165.12862	9.7
166.94353	1.3
173.09731	1.4
179.03523	2.0
179.10794	2.2
181.05121	0.9
181.12375	18.0
181.13983	1.2
191.10806	9.2
194.02231	1.7
194.05881	2.1
209.00972	2.2
209.03122	1.0
209.04628	13.2
209.08151	2.8
209.11838	57.1
209.94887	2.7
210.12196	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1186
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
51.68827	0.6
51.89361	0.5
57.03460	7.9
59.00923	0.6
59.01388	12.2
61.98838	6.9
63.69612	0.5
65.00337	1.1
69.03462	15.6
69.46631	4.5
71.01381	3.0
71.05025	2.5
72.99319	0.7
80.02695	1.2
81.03485	0.8
82.22530	0.6
83.01402	0.7
83.05026	4.8
85.02959	8.1
91.01900	1.9
92.99828	1.7
93.03482	3.1
94.03009	2.9
95.01466	0.9
95.05057	1.8
96.96033	2.3
97.06591	10.1
98.19788	0.6
108.02225	0.8
108.05823	1.0
109.06590	1.9
111.08173	12.6
118.94212	2.5
120.02190	1.7
121.02969	100.0
121.10269	1.0
122.03307	2.5
123.00845	0.8
124.04042	6.1
127.07657	1.1
135.04556	0.8
135.08138	2.0
136.01677	1.1
136.98837	0.8
137.02470	0.8
137.06099	1.4
147.11841	1.9
148.93291	0.6
149.06119	0.6
150.39674	0.6
151.03957	1.1
153.09230	4.0
161.02394	0.9
163.11313	3.9
164.94089	1.4
164.98283	1.9
165.01941	0.5
165.05630	0.9
165.09244	2.3
165.12857	54.3
166.13206	1.9
166.94334	1.0
173.09692	0.8
178.99892	0.7
179.03510	2.4
181.04988	0.7
181.12347	13.5
182.12654	0.7
190.99928	0.7
191.10800	13.3
192.11151	0.8
194.02185	2.0
194.05824	2.2
209.01125	1.2
209.03023	1.1
209.04591	13.4
209.08229	4.1
209.11845	56.7
209.15134	4.9
209.94890	2.2
210.12105	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1185
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
57.03431	2.5
58.00596	2.9
59.01385	16.6
59.43209	1.7
60.82195	1.7
61.71315	1.7
61.83923	1.7
65.39396	1.7
69.03454	2.4
69.79952	6.7
71.01385	8.0
71.05009	8.2
80.02678	3.3
81.03457	8.0
83.05031	13.3
85.02956	8.2
85.31987	1.7
89.02438	2.9
92.99821	2.1
93.03454	4.8
94.02985	2.5
95.01404	4.3
95.05051	4.2
95.85418	1.5
97.02962	3.7
97.06598	3.7
99.04504	4.2
100.01680	18.0
105.69633	1.8
108.02216	1.9
109.02960	64.4
109.06599	2.4
111.04536	15.7
121.02971	76.3
122.03824	2.7
123.04513	5.1
124.01685	2.6
124.04039	7.0
125.02467	3.9
125.06125	2.3
127.04026	6.3
135.04555	2.0
136.01677	2.1
137.02496	2.0
137.06070	1.8
137.09718	1.8
140.04781	3.3
147.11789	5.8
149.09738	7.3
151.11284	4.6
161.09731	13.3
163.11307	10.1
165.09193	8.3
165.12874	16.2
167.10724	2.3
177.09248	3.3
179.10799	11.3
181.12378	4.8
183.40410	1.6
191.10806	3.5
209.04668	10.9
209.08542	12.1
209.11844	100.0
210.12189	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	209.0822
Annotation	Anserinone B
Peak:m/z	Relative Intensity
55.43371	0.3
57.03455	1.2
59.01390	3.7
61.98835	1.2
65.00326	2.3
65.34294	0.3
65.51254	0.2
67.01891	0.6
68.99854	0.3
69.03488	0.3
70.55010	0.5
70.55376	0.5
71.01388	1.2
71.05016	0.4
72.99322	0.4
77.19502	0.2
80.91669	0.4
81.03465	17.2
82.03831	0.3
83.01402	2.4
83.05018	0.7
85.02957	3.5
87.57738	0.3
89.02466	0.4
91.01895	0.8
92.99837	0.8
93.03461	1.1
94.03014	0.9
95.01400	0.7
95.05009	0.3
96.96033	0.8
97.02974	0.3
98.20567	0.3
99.08169	2.6
101.06088	1.7
105.07111	0.4
107.01394	1.3
107.05039	0.4
108.02174	0.3
109.02991	0.4
111.00847	0.2
118.94213	0.9
119.14945	0.3
120.02196	0.7
121.02969	40.1
121.06599	0.6
122.03322	1.1
123.00906	0.4
123.08178	7.7
124.01675	1.4
124.04071	2.3
125.02456	6.1
125.06097	12.6
133.01425	0.5
135.04541	0.9
135.08217	0.5
136.01630	0.6
136.05321	2.1
136.98804	0.3
137.02478	0.4
137.06119	0.8
141.09195	1.6
147.08163	2.0
148.93314	0.3
149.02451	0.6
149.06093	0.3
150.06816	0.5
151.00401	2.7
151.04031	0.3
152.01129	0.7
161.02451	0.5
163.11247	0.5
163.63863	0.3
164.94089	0.6
164.98396	0.5
165.09219	67.1
166.09576	2.8
166.94196	0.4
167.07184	0.5
179.03510	1.3
191.01955	0.3
191.07167	2.9
192.07404	0.3
194.02217	0.8
194.05916	1.1
207.49031	0.3
209.04634	5.5
209.08211	100.0
209.11806	9.4
209.95038	0.4
210.08569	4.4
210.12212	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1186
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
57.03468	0.9
59.01370	1.9
61.98815	1.5
65.00316	1.3
68.99823	1.1
69.33136	2.4
69.33572	2.7
71.01395	0.8
76.47723	0.7
79.87805	0.6
80.02673	1.5
81.03483	2.6
83.05034	9.5
83.11480	0.7
85.02959	3.8
89.02471	0.6
91.01908	1.0
92.99848	4.4
93.03457	2.6
94.02997	3.5
95.01408	1.3
95.05019	1.4
97.06589	0.7
108.71940	0.5
109.02938	0.8
111.00835	0.6
111.08142	0.6
121.02973	51.2
122.03281	1.4
124.04060	7.1
125.06113	1.0
135.04553	0.6
135.08163	1.1
136.98799	1.9
137.02495	1.3
161.02480	0.7
163.11314	6.7
164.98325	3.6
165.01913	1.4
165.05576	0.6
165.12842	3.8
181.12296	1.1
191.00000	0.8
191.01973	0.8
191.10764	1.4
194.01994	0.8
209.00903	2.8
209.02844	1.0
209.04597	6.6
209.11845	100.0
210.08141	0.6
210.12212	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41970	0.2
53.06397	0.3
57.03455	1.2
59.01395	1.7
63.02399	0.5
65.00330	2.6
69.51505	1.1
69.51949	1.0
71.01392	1.0
71.05025	0.4
81.03468	16.3
82.03754	0.3
83.01393	2.1
83.05060	0.3
85.02944	2.1
89.02433	0.3
95.05044	0.3
99.08170	2.9
101.06088	2.0
107.01418	2.2
107.05052	0.5
113.28436	0.3
114.83407	0.3
120.02158	0.3
121.02171	0.6
121.02979	6.9
121.06606	0.8
123.08186	8.6
124.01649	1.2
124.04075	0.5
125.02479	4.3
125.06104	15.5
126.06401	0.4
135.04543	0.3
136.05309	2.1
137.06050	0.9
141.09239	1.0
143.54156	0.3
147.08168	2.7
148.09741	0.3
149.02505	0.6
149.06140	0.3
150.06894	0.7
151.00404	2.8
152.01161	0.8
165.09229	53.3
166.09561	2.0
167.07175	0.4
179.03517	0.3
191.02058	0.4
191.07158	4.5
194.05826	0.4
209.08215	100.0
209.17279	0.8
210.08554	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	209.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12401	0.1
57.03457	1.1
59.01380	1.7
63.02396	0.5
65.00327	3.5
67.01894	0.4
69.03463	0.2
71.01383	0.2
71.05024	0.3
71.55561	0.1
80.02673	0.2
81.03466	17.4
81.07082	0.2
82.03821	0.3
83.01394	2.9
83.05035	0.2
85.02959	0.8
86.28343	0.1
88.85285	0.1
93.03462	0.1
95.01384	0.3
95.05042	0.3
96.02161	0.2
99.08172	3.4
101.06103	2.4
105.03474	0.3
105.07159	0.6
107.01410	2.4
107.05038	0.5
108.02184	0.3
111.08146	0.1
118.95058	0.1
121.02977	1.7
121.06598	0.7
123.00945	0.2
123.04550	0.4
123.08176	9.1
124.01681	1.3
124.08483	0.3
125.02473	5.5
125.06100	17.0
126.06462	0.4
132.05855	0.1
135.04550	0.5
135.08167	0.2
136.05312	2.0
137.06090	0.6
137.09682	0.1
141.09215	1.5
147.08173	2.9
149.02458	4.9
149.06079	0.4
150.02838	0.2
150.06862	0.6
151.00395	3.3
152.01196	0.8
163.07716	0.3
165.09222	55.2
166.09549	2.4
167.07144	0.7
179.03593	0.2
180.04333	0.2
191.02039	0.1
191.07147	3.9
194.02138	0.2
209.04623	5.4
209.08206	100.0
210.08522	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0304
Annotation	L-mannaric acid
Peak:m/z	Relative Intensity
55.01879	1.7
57.03454	11.6
58.00579	0.6
58.38138	0.4
59.01385	16.8
68.99820	1.2
70.07948	1.4
70.08357	0.8
71.01389	31.8
72.99318	5.5
73.02943	0.9
75.00887	3.9
83.01405	1.9
84.02174	2.9
85.02958	100.0
86.03293	1.6
87.00875	2.9
89.02457	12.5
101.02480	0.6
103.00373	2.1
111.00944	0.5
112.72459	0.4
115.00385	1.9
129.01958	4.3
133.01434	13.0
147.02983	3.5
179.19138	0.4
181.66220	0.4
184.45149	0.4
191.01999	13.2
209.03041	26.1
210.03442	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0667
Annotation	alpha-D-Mannoheptulopyranose
Peak:m/z	Relative Intensity
51.89859	1.3
53.62714	1.3
55.01882	5.8
57.03457	30.9
57.25487	1.3
57.33076	1.4
58.00590	3.6
59.01387	61.7
61.49528	1.3
63.31469	1.2
68.99836	2.8
69.58089	2.8
69.58495	5.8
71.01392	34.6
72.99312	5.4
73.02947	4.7
75.00883	4.8
83.01395	7.9
84.02178	8.6
85.02962	100.0
86.03337	1.4
87.00887	30.1
89.02459	19.8
97.02992	1.6
99.00895	5.1
101.02453	18.4
111.00886	8.3
112.98817	3.2
113.02457	1.8
119.03490	8.0
125.36543	1.6
129.01967	48.4
130.02312	1.7
133.01390	2.3
141.01967	4.6
142.99878	13.1
149.04565	4.4
159.03044	12.4
173.00990	2.2
191.02043	1.9
191.05504	1.6
209.03130	6.0
209.06691	83.2
217.80084	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0305
Annotation	L-mannaric acid
Peak:m/z	Relative Intensity
53.71284	0.6
55.01887	1.9
57.03456	12.8
59.01386	15.2
65.38632	0.5
68.99821	1.6
69.57977	0.6
70.05840	1.8
71.01390	27.9
72.99310	5.6
75.00886	3.9
75.88772	0.5
83.01388	1.2
84.02179	2.8
85.02962	100.0
86.03300	2.0
87.00883	3.0
89.02459	10.4
98.20566	0.6
99.00912	0.6
103.00384	2.2
108.04682	0.5
115.00393	2.2
129.01971	5.3
130.31136	0.5
133.01443	11.8
141.73389	0.6
147.03026	3.4
168.02324	0.5
191.02008	12.2
209.03044	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.2
57.03199	1.2
57.03456	14.3
59.01385	15.3
61.23148	0.7
63.42138	0.7
68.99819	1.7
70.13774	2.5
71.01389	27.3
72.99310	5.3
73.02943	1.0
75.00874	3.6
77.12977	0.8
78.95919	1.2
83.01403	2.3
84.02169	2.5
84.20934	0.8
85.02961	100.0
86.03292	1.8
87.00891	2.6
89.02453	10.5
96.96014	2.7
103.00367	2.5
107.94788	0.9
111.00856	1.0
115.00362	1.7
129.01938	3.7
130.05136	1.1
130.49512	0.7
133.01451	10.6
147.03027	6.5
191.01993	14.4
209.03044	27.4
210.00752	1.1
219.06998	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0304
Annotation	L-mannaric acid
Peak:m/z	Relative Intensity
55.01871	2.1
57.03452	12.1
58.00594	0.9
58.03804	0.4
59.01384	18.2
68.99814	1.1
69.16854	1.1
69.17258	3.3
71.01388	31.2
71.33633	0.4
72.99319	6.4
73.02953	0.7
75.00879	3.6
75.38505	0.4
81.58115	0.4
83.01418	2.1
84.02174	2.9
85.02957	100.0
86.03286	1.7
87.00884	3.6
89.02451	12.4
101.02436	0.5
102.13908	0.4
103.00351	2.8
115.00387	2.0
129.01961	4.2
133.01442	13.9
142.93608	0.5
147.03038	2.9
191.01994	12.3
209.03038	28.8
210.03398	0.5
225.84074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0304
Annotation	L-mannaric acid
Peak:m/z	Relative Intensity
55.01887	2.0
57.03456	12.4
58.00597	0.6
59.01389	16.6
59.82665	0.3
68.99828	1.3
70.66692	0.6
70.67033	0.5
71.01392	31.4
72.99319	5.4
73.02956	0.7
74.24655	0.3
75.00867	4.1
75.83092	0.4
82.95326	0.3
83.01392	1.5
84.02177	2.8
85.02962	100.0
86.03285	1.6
87.00879	3.1
89.02456	12.7
101.02444	0.6
103.00380	2.5
111.00865	0.5
115.00407	1.8
120.42287	0.3
129.01965	5.1
133.01453	13.4
147.03015	2.8
149.04822	0.3
154.86873	0.3
174.90932	0.3
188.78835	0.4
191.02000	10.7
197.46672	0.3
209.03047	24.9
210.03481	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1028
Annotation	12-Hydroxyjasmonic acid lactone
Peak:m/z	Relative Intensity
59.01385	0.4
68.96434	0.1
68.99837	0.3
69.75412	0.7
78.97481	0.2
83.01390	5.2
91.01913	0.2
93.03458	0.3
95.01418	0.7
96.02162	0.2
97.02959	0.3
106.16392	0.2
109.02988	0.6
121.02995	0.3
123.00908	3.4
123.04536	0.3
133.02972	0.2
137.02461	21.9
138.03250	7.7
139.04071	1.5
139.70143	0.2
143.46246	0.2
147.08043	0.2
149.02438	0.4
151.04024	1.8
153.01929	0.6
163.06000	0.2
163.07637	0.4
165.09229	1.4
170.02226	43.7
171.02553	1.5
177.01974	1.8
181.42270	0.2
184.03801	0.2
187.11780	0.2
192.04279	2.2
192.07954	0.2
207.10281	100.0
208.10640	4.6
220.79842	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1029
Annotation	12-Hydroxyjasmonic acid lactone
Peak:m/z	Relative Intensity
59.01372	0.7
62.28410	0.1
63.98303	0.1
68.99821	0.2
69.95076	0.3
71.01379	0.2
75.00883	0.3
79.75327	0.1
83.01392	5.6
85.02974	0.2
91.01904	0.2
92.99789	0.1
93.03471	0.3
95.01392	0.8
95.05054	0.2
96.02158	0.1
97.02960	0.5
109.02955	0.5
111.00875	0.2
119.01425	0.1
119.05014	0.2
121.02963	0.4
123.00893	3.8
123.04550	0.3
135.00916	0.2
135.04539	0.1
137.02461	21.6
137.09698	0.5
138.03252	6.0
139.04042	1.3
148.81145	0.1
149.02448	0.5
151.04036	1.7
153.01945	0.6
162.05890	0.1
163.00351	0.3
163.04121	0.1
163.11353	0.2
164.75871	0.1
165.09239	1.2
170.02226	44.0
171.02589	1.3
177.01956	2.7
177.05559	0.2
184.03749	0.3
189.12868	0.5
192.00685	0.2
192.04305	2.8
193.04613	0.1
207.10278	100.0
208.10609	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	209.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.9
57.03453	11.8
58.00599	0.7
59.01386	13.4
68.99821	1.1
69.48434	0.6
69.48771	2.6
71.01391	26.6
72.99322	6.2
73.02953	0.4
75.00889	4.1
78.05119	0.4
83.01404	2.1
84.02189	2.4
85.02959	100.0
86.03298	1.5
87.00865	2.8
89.02456	9.0
91.01897	0.9
98.20670	0.4
101.02471	0.7
103.00386	2.9
111.00907	0.9
115.00435	1.9
120.02168	1.0
121.02972	34.9
122.03288	1.1
129.01950	4.3
133.01440	11.0
136.01665	0.8
138.55267	0.3
147.01880	0.5
147.03030	5.9
148.01671	0.6
149.02428	0.6
176.01161	1.8
179.03525	0.7
181.08673	0.4
191.01994	14.6
191.89838	0.4
208.99278	2.2
209.03032	18.9
209.04648	3.8
209.11859	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0825
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
51.05345	0.8
58.02982	35.7
59.03313	0.9
69.63611	5.5
70.02980	10.7
72.00921	4.6
79.40704	0.8
91.05552	14.0
94.70121	1.0
98.20672	1.2
103.05537	2.0
147.04543	36.7
148.04930	0.9
158.08603	1.0
162.09189	2.1
164.07179	100.0
165.07471	3.4
206.08238	38.5
207.08545	1.3
223.52171	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1027
Annotation	12-Hydroxyjasmonic acid lactone
Peak:m/z	Relative Intensity
53.42242	0.3
59.01385	1.6
61.98838	0.9
68.99834	0.3
71.01392	0.6
71.54678	0.2
75.00897	0.3
77.03985	0.2
81.03472	0.2
83.01384	5.2
85.02972	0.5
86.89925	0.2
91.01915	0.8
93.03470	0.8
95.01410	1.0
95.05005	0.2
96.91188	0.2
97.02970	0.5
101.02464	0.5
109.02969	0.5
111.00908	0.3
119.01423	0.3
121.02995	0.4
123.00890	3.3
123.04551	0.7
129.01974	0.5
130.76407	0.2
135.00897	0.4
135.04478	0.5
137.02458	21.6
138.03250	4.6
139.04041	2.0
147.04553	0.2
149.02446	1.3
151.04033	1.7
153.01921	0.6
163.00385	0.7
163.04051	0.4
163.11382	0.5
165.09210	1.0
170.02222	45.5
170.88345	0.5
171.02573	1.4
173.44780	0.2
176.01079	0.2
177.01935	7.2
178.02280	0.4
178.99908	0.4
179.03619	0.3
184.03760	0.3
192.00655	0.8
192.02545	0.5
192.04312	7.9
193.04626	0.2
207.03069	1.5
207.10277	100.0
208.10614	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	205.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26431	0.7
56.86604	0.7
57.03472	0.8
59.01385	2.1
63.85490	0.8
68.74114	0.7
69.68583	2.5
69.68990	2.0
69.98468	0.9
70.84564	0.8
72.99319	44.3
73.02962	2.9
73.82735	0.7
75.00867	2.1
75.33955	0.7
81.07117	4.8
85.02945	1.0
85.06598	2.5
97.06594	2.0
99.08166	11.3
101.06107	2.1
113.06091	6.2
115.07665	100.0
116.08007	3.0
125.65761	0.7
129.05600	58.0
130.05930	1.4
143.07159	39.1
144.07431	1.0
159.06612	4.3
161.08159	1.6
205.07193	49.3
206.07489	0.9
206.10831	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51033	0.8
57.03456	1.5
59.01376	1.8
69.17388	7.5
72.99314	39.4
73.02950	3.9
75.00877	1.0
77.50289	0.7
81.07113	4.2
85.02987	1.1
85.06592	1.7
97.06590	1.3
98.19917	1.3
99.08168	13.7
101.06093	1.8
107.14596	0.7
113.06105	3.6
115.07660	100.0
116.07990	2.6
116.95776	0.8
125.06099	2.0
129.05595	52.4
130.05911	1.8
143.07158	35.9
159.06651	4.3
161.08141	1.1
164.67039	0.7
192.23727	0.9
200.17839	0.8
205.07187	46.5
206.07491	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1599
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
59.01370	0.2
69.49216	1.4
72.99327	0.2
87.97024	0.2
112.62056	0.2
113.09133	0.2
134.11385	0.2
189.12889	1.8
205.15988	100.0
206.16344	4.7
206.17957	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	206.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03532	0.7
58.02983	34.2
69.27226	0.6
69.46178	1.7
69.46581	3.8
70.02987	13.1
72.00925	6.1
74.90622	0.7
86.42262	0.7
91.05546	13.0
103.05540	1.2
135.04468	0.8
147.04539	36.7
148.04852	1.2
162.09291	1.6
164.07184	100.0
165.07564	3.8
206.08249	33.9
207.08549	1.3
221.98593	0.7
227.95657	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.9
57.03455	5.8
59.01384	37.6
60.99320	1.9
67.01892	3.4
68.99834	4.1
69.96748	4.4
69.97094	1.8
71.01388	40.8
71.05027	5.5
72.99317	22.9
73.02943	7.3
75.00882	13.8
77.04166	1.0
81.03461	4.7
83.01404	10.1
84.99320	1.0
85.02951	10.4
87.00883	13.2
88.98801	1.6
89.02458	9.4
96.99345	2.5
98.20689	1.1
99.00894	36.4
99.04527	8.1
100.98827	1.6
101.02453	13.5
101.06127	2.2
103.00416	1.7
111.00894	15.6
112.98821	100.0
115.00381	29.9
115.04020	2.8
115.07601	1.2
117.01935	7.7
124.98824	3.5
125.02464	32.9
127.00440	5.1
129.01945	12.9
133.01433	2.2
142.99847	5.7
143.03502	4.1
145.01453	20.7
145.05075	5.8
150.98260	1.1
154.99867	3.4
157.01407	1.3
173.00917	6.4
175.02487	2.0
187.02513	5.3
205.03511	7.9
205.07199	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	204.0304
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
67.01315	0.2
70.94015	0.3
70.94353	0.5
71.01390	0.3
72.99311	2.6
73.02972	0.4
90.94572	0.3
99.08179	0.8
101.06082	0.3
113.06115	0.3
115.04006	0.3
115.07662	4.1
118.03011	3.4
118.70715	0.3
126.09251	0.8
129.05580	2.8
130.78983	0.3
131.03783	2.1
132.04579	8.3
133.02928	0.3
133.04919	0.5
137.02512	0.3
139.32487	0.3
143.07149	1.8
146.06953	0.2
153.01399	0.3
159.03273	31.3
160.04056	100.0
161.04396	3.1
175.02722	0.9
199.99525	0.3
204.03023	5.3
204.06004	1.0
204.12424	1.1
205.07201	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98193	2.9
55.01880	9.4
57.03455	6.5
58.00618	3.1
59.01383	90.8
67.01868	3.5
68.99812	14.5
70.48289	6.6
70.48624	4.1
71.01389	95.6
72.99312	45.2
73.02938	16.9
75.00548	3.1
75.00890	35.6
75.80439	2.9
83.01376	17.5
85.02940	20.4
87.00884	55.8
89.02443	14.1
96.99301	9.6
99.00895	60.0
101.02451	14.7
103.00385	4.5
111.00891	25.7
112.98090	6.6
112.98827	98.5
115.00377	100.0
117.01944	14.4
118.56109	3.3
124.98829	15.6
125.02454	14.2
127.00387	15.2
129.01990	19.2
129.05556	4.9
142.99876	27.1
145.01439	23.9
154.99844	12.6
173.00929	7.5
174.17607	3.1
175.02492	5.9
205.03520	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	203.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79139	0.6
59.01386	100.0
67.68762	0.7
69.64491	1.5
69.64890	2.3
83.03662	0.8
98.20673	0.9
99.08163	5.1
99.77802	0.6
103.20465	0.6
107.20341	0.7
125.06114	0.8
143.07175	3.5
161.08238	0.8
177.62990	0.7
189.66887	0.8
204.12491	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33359	0.6
59.01382	4.7
69.58787	3.4
71.04670	0.8
71.05021	4.2
79.00401	0.7
99.51388	0.6
100.17039	0.5
103.92054	1.0
113.09740	42.1
114.10072	1.4
115.07651	0.8
126.09282	2.0
129.70653	0.6
131.40154	0.5
141.09232	34.0
142.09555	1.2
143.07153	100.0
144.07483	2.6
157.12354	1.2
159.10283	6.9
185.08212	6.2
191.05466	0.6
203.03529	1.3
203.09262	52.1
203.12981	2.4
204.09590	1.4
204.12482	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	203.9998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01079	0.3
59.01389	19.2
60.01726	7.9
61.01817	2.2
61.98840	100.0
62.02159	0.1
64.07048	0.1
64.88757	0.1
68.00175	0.1
69.57742	0.5
69.58154	0.3
71.01389	0.2
72.99323	0.2
76.04092	0.1
83.05044	0.7
98.19942	0.2
111.06900	0.4
115.00377	0.3
126.09266	2.6
128.10800	0.2
143.86479	0.5
154.08704	0.2
156.97147	0.1
157.61017	0.1
158.69142	0.2
159.03319	0.1
160.03653	0.9
161.01270	0.3
161.87624	0.2
162.01631	0.5
203.99873	0.6
204.02710	3.1
204.06496	0.2
204.12427	4.0
205.02744	0.2
205.04907	0.2
205.08690	0.2
205.12492	0.2
205.16071	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0716
Annotation	3-Butylidene-7-hydroxyphthalide
Peak:m/z	Relative Intensity
56.47847	0.2
59.01384	4.8
60.01728	0.2
61.98833	1.5
65.00332	20.6
65.03967	0.8
66.00700	0.3
67.01904	0.9
67.29282	0.2
68.99828	3.6
69.03468	0.4
69.86980	1.0
71.01407	0.3
79.05547	1.1
79.06748	0.3
81.03477	0.3
83.05041	1.1
89.03986	0.3
89.47158	0.3
91.01903	7.5
91.05550	1.6
93.03480	0.4
94.04262	0.7
95.01400	0.7
103.05533	0.3
103.92044	0.7
104.02697	6.3
104.97758	2.9
105.07101	1.6
107.01396	0.9
107.05043	2.3
108.02168	0.7
109.06605	54.5
110.06927	1.9
111.06953	0.4
115.05547	2.6
117.03508	0.5
117.07166	0.3
119.08704	0.9
120.02167	0.5
123.00920	0.4
126.09270	4.7
129.07127	4.6
130.94322	0.4
131.05005	0.7
131.08685	23.2
132.02155	0.4
132.09045	0.5
133.06610	8.6
135.00879	1.4
135.04485	0.4
135.08188	1.2
136.01689	4.5
143.05029	1.2
144.05833	1.9
145.02968	5.3
147.08163	1.5
148.01683	7.8
154.08752	0.3
157.06606	6.4
159.04562	8.3
159.08173	82.5
160.01666	0.5
160.05229	1.1
160.08498	2.9
160.89293	0.5
161.02501	0.4
161.06111	0.7
165.09219	0.3
173.06071	1.6
175.07663	36.3
176.08040	1.5
180.00681	1.4
185.02449	0.4
185.06131	0.7
187.03999	1.2
188.04810	6.2
188.06451	0.4
201.05597	10.7
202.05991	0.7
202.94159	2.2
203.07158	100.0
204.07457	4.3
204.12430	5.5
212.15076	0.2
221.08206	31.1
222.08554	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86528	0.5
57.03452	1.9
59.01379	2.4
69.99131	1.5
69.99533	0.9
71.01394	5.0
72.99318	100.0
73.02953	14.1
73.99685	0.8
75.00889	4.0
79.05528	0.9
83.01396	0.7
86.02518	0.6
87.00916	0.6
95.05025	1.4
97.06595	5.2
101.02465	6.9
103.00398	1.9
103.92023	0.8
110.16227	0.4
113.02500	0.6
113.06106	5.9
115.07662	0.9
118.03010	1.7
125.02486	0.8
126.09276	1.2
127.04023	2.1
131.03777	1.3
132.04559	3.8
133.03044	0.7
141.05608	7.5
147.04530	0.6
149.84889	0.5
159.03285	13.2
159.06619	2.3
160.04059	48.2
175.02664	0.7
175.04007	1.3
183.42535	0.5
184.55875	0.5
185.04555	1.3
202.94290	0.6
203.05632	69.0
204.03070	2.5
204.05991	2.2
204.12442	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	200.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82159	0.2
55.31881	0.3
59.01387	0.5
60.99326	0.3
72.00504	0.5
72.00918	13.4
74.02482	35.5
84.04530	0.3
86.25681	0.3
87.04535	1.0
87.10554	0.4
95.05025	1.8
104.03552	100.0
105.03881	1.2
115.05545	0.3
124.07755	0.5
138.09283	2.1
139.07642	0.3
139.11360	0.3
140.56033	0.3
144.04518	0.4
145.06667	0.3
152.07220	1.1
157.08727	0.4
158.03746	1.1
159.04518	1.2
170.08237	1.7
171.04543	0.3
172.05438	0.4
173.02586	0.3
173.06058	1.4
183.04497	2.0
199.04050	0.5
200.03485	0.5
200.09293	2.5
201.05563	4.4
201.11316	0.9
206.53792	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04739	0.3
59.01385	100.0
60.01727	0.6
69.84795	1.0
69.85198	0.6
71.50974	0.2
98.20627	0.4
100.20530	0.3
113.04652	0.4
115.02593	0.3
157.03596	5.0
158.03691	0.5
159.01520	1.8
186.88017	0.3
201.00690	0.7
201.02568	11.7
202.02795	0.7
215.89606	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1135
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
56.60278	0.7
57.03456	7.3
59.01385	15.9
69.03477	1.3
71.05050	1.0
71.54890	1.0
73.51213	0.7
74.45762	0.6
77.23872	0.7
83.05042	0.9
85.02981	0.7
95.01405	0.9
108.34448	0.7
111.08144	5.5
137.09738	2.0
139.11308	100.0
139.59439	0.7
140.11676	3.3
146.95036	0.7
157.03622	1.2
157.12332	2.0
183.10277	43.9
184.10611	1.2
201.02350	2.1
201.05621	1.6
201.11342	79.9
202.11687	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	197.1549
Annotation	METHYL 10-UNDECENOATE
Peak:m/z	Relative Intensity
57.03445	3.3
61.98841	1.2
69.03463	2.3
69.92868	3.4
71.05033	1.3
80.02688	2.2
81.03461	3.2
83.05037	12.2
85.06593	0.9
89.10561	0.7
95.05042	7.3
97.02961	1.5
97.06606	31.6
98.19995	1.3
108.52531	0.7
109.06602	2.4
111.08175	25.6
114.28793	0.7
116.92890	1.0
117.02502	0.8
121.02932	0.9
123.00905	1.3
123.08214	1.1
135.22588	0.7
147.11794	3.1
149.09677	1.6
160.84239	8.7
161.84261	1.0
162.83929	22.1
163.11317	9.5
165.12865	100.0
166.13205	3.4
182.02209	2.1
197.04649	1.1
197.15471	1.9
197.80827	13.0
209.11852	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	198.0773
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
58.43503	0.7
69.03488	1.4
69.85542	1.5
69.85958	2.1
80.34071	0.7
83.01370	0.8
87.42023	0.5
94.23993	0.6
97.02979	1.4
104.92226	0.7
108.04581	3.0
112.32897	0.7
120.04573	0.8
121.05387	1.4
122.06143	3.6
124.07701	100.0
125.08032	2.4
134.06154	2.0
135.03291	0.9
136.07703	61.9
137.08023	1.2
154.08798	1.3
168.06667	11.6
180.06685	61.5
181.07037	2.1
182.42073	0.6
198.07744	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	195.0512
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
55.01862	1.0
57.03456	4.2
58.00618	0.7
59.01387	21.9
66.41701	0.7
69.03464	0.9
69.22961	0.6
69.74026	2.2
69.74444	1.8
71.01389	12.3
72.99322	6.9
75.00883	100.0
76.01227	1.1
78.95923	1.0
80.96532	2.4
83.01411	1.9
84.02170	0.9
85.02970	9.9
87.00887	13.5
89.02459	8.3
97.02944	1.1
99.00900	7.4
101.02469	3.5
102.02010	0.7
104.11530	0.7
105.01943	1.7
111.00878	3.9
124.01672	0.7
129.01958	28.7
138.62567	0.7
141.01984	3.9
142.34526	0.7
147.03056	0.9
159.03009	12.1
160.84236	2.0
163.05069	2.3
177.04095	3.5
195.05121	63.4
195.07814	1.6
196.05484	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13471	1.6
51.24855	1.6
51.98790	1.5
55.01884	8.2
57.03446	7.4
58.00600	5.7
59.01387	37.6
67.01887	1.7
69.03462	17.6
69.90022	7.5
71.01392	48.6
72.99333	7.7
73.02955	55.4
75.00881	4.5
79.01890	4.3
81.03482	3.8
81.58572	1.7
83.01397	19.3
84.02186	2.1
85.02962	66.8
86.00098	11.0
86.03351	2.0
87.00888	54.5
89.02448	2.8
90.89566	1.7
94.76176	1.5
95.00459	1.8
95.01418	13.3
97.02954	27.7
99.00893	54.5
101.02454	74.9
107.01396	2.4
111.00906	8.3
112.01662	3.1
113.02472	14.9
115.04033	2.6
117.01961	2.3
123.00915	5.1
124.01672	2.9
125.02455	21.3
127.03994	2.0
134.03737	5.5
134.67497	1.9
140.01166	6.9
141.01953	24.3
142.02730	4.6
149.06099	2.3
150.94820	3.0
155.03506	14.8
157.05043	1.8
159.03011	4.2
161.04576	100.0
165.46669	1.6
175.06128	6.4
178.02733	4.4
191.05606	3.1
193.07193	72.7
200.70950	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0354
Annotation	Pisonin F
Peak:m/z	Relative Intensity
50.38041	0.3
55.60181	0.3
59.01392	0.4
59.61080	0.3
59.74865	0.2
70.83060	0.7
70.83385	0.3
82.81215	0.3
85.02962	1.3
87.00895	1.3
93.03457	0.4
97.02369	0.3
101.02485	0.3
111.00903	1.8
119.05064	1.4
121.02974	100.0
122.03298	2.6
139.59634	0.3
147.04544	5.9
148.72113	0.3
163.04050	0.9
176.01123	0.5
191.01932	0.4
191.03534	8.3
191.05602	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0719
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
53.53350	1.6
55.01890	7.8
57.03439	6.1
58.00592	3.8
59.01387	38.3
68.99834	3.0
69.03463	21.3
69.21844	11.6
69.22255	3.5
71.01389	62.2
72.99316	9.0
73.02954	56.2
73.85195	1.6
74.45387	1.7
75.00880	3.4
77.36464	1.6
79.01893	6.6
81.03468	6.2
83.01398	25.0
84.02173	1.8
85.02963	60.3
86.00101	9.2
87.00883	55.4
89.02444	4.7
89.88062	1.8
95.01403	14.5
97.02961	28.4
99.00890	61.1
101.02451	73.5
107.01370	3.0
107.05030	1.8
108.02175	2.0
109.02968	1.9
111.00898	7.2
112.01668	4.6
113.02462	17.3
115.04012	3.7
117.01962	5.0
120.85114	1.6
123.00897	7.0
123.04517	2.8
124.01639	4.0
125.02464	24.4
127.04019	2.9
131.03459	2.4
134.03751	17.3
136.66661	1.6
136.94005	4.1
137.02428	4.8
140.01169	5.9
141.01961	25.0
142.02701	2.9
148.53058	1.6
149.06076	4.0
150.03175	1.9
150.94789	2.8
155.03525	14.1
159.02957	4.4
161.04573	100.0
161.30573	1.6
162.04913	1.9
178.02756	19.9
190.03244	2.0
191.05658	4.6
193.01291	2.2
193.05150	8.6
193.07181	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.7
59.49075	0.3
61.98813	0.6
67.73550	0.4
68.99840	0.5
69.41837	2.4
70.26135	0.3
71.01395	0.6
83.92899	0.3
87.24105	0.4
90.97134	0.7
96.99337	0.4
97.06606	0.9
102.48576	0.3
123.08231	0.4
125.09726	6.0
132.05829	84.7
133.06157	3.1
141.86819	1.1
159.87910	0.4
164.04816	63.6
165.05182	2.2
172.08990	0.8
187.11308	100.0
188.11653	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	189.0923
Annotation	Precocene I
Peak:m/z	Relative Intensity
59.01360	0.6
61.98834	0.7
65.53761	0.2
69.88145	1.3
97.98707	0.3
117.03455	0.4
121.02965	0.3
129.05614	0.4
131.09743	0.2
134.03755	81.3
135.04100	2.3
137.99252	0.2
143.86536	1.9
145.02979	0.6
161.02489	0.6
161.87622	0.5
164.97664	0.2
166.02730	52.4
167.03084	1.7
170.88960	0.3
174.06860	1.8
189.01881	0.7
189.09227	100.0
189.85732	0.3
190.09560	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	191.02
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65326	0.3
55.01884	3.1
56.12519	0.3
57.03455	17.4
59.01381	7.7
62.43680	0.3
63.30435	0.3
68.99818	0.6
70.81010	0.7
71.01387	1.9
72.99314	0.8
78.95921	0.7
83.01391	1.6
84.02174	3.5
85.02959	100.0
86.03300	1.5
87.00886	3.2
99.00877	0.7
103.00374	0.9
111.00891	6.7
129.01979	0.7
147.03043	1.2
148.95029	0.3
154.91608	1.2
191.01968	4.0
191.05702	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Citric acid
Peak:m/z	Relative Intensity
55.01880	2.3
57.03458	19.3
57.84887	0.5
59.01388	8.1
59.62655	0.6
66.45885	0.5
67.01904	2.3
68.99814	0.5
71.01397	3.3
71.15973	1.0
72.99317	0.9
83.01381	2.8
84.02175	1.8
85.02962	100.0
86.03298	1.5
87.00890	32.0
92.06459	0.5
99.00892	0.7
101.02474	1.1
103.00383	0.8
111.00897	65.2
112.01244	1.4
112.98826	5.3
118.60087	0.6
122.21568	0.5
128.17805	0.5
129.01968	3.7
131.03474	0.9
144.46214	0.5
147.02954	1.1
147.10109	0.5
149.60806	0.5
191.02013	8.7
191.05646	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1185
Annotation	10-Oxodecanoate
Peak:m/z	Relative Intensity
57.03464	0.9
59.01388	100.0
60.01701	0.6
60.99302	0.7
68.99843	0.5
69.03473	1.1
70.77071	1.1
70.77406	0.6
71.01398	1.1
71.77821	0.5
83.05051	0.7
85.72831	0.6
88.56448	0.6
97.02962	1.1
97.06628	1.4
123.08195	1.4
125.87359	0.8
139.87364	1.2
140.89729	3.2
141.09248	2.5
157.86325	0.7
181.35741	0.7
184.88683	0.8
185.06123	0.7
185.08270	1.2
185.11848	16.1
185.15518	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0101
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96446	0.7
57.03457	0.9
59.01386	84.4
60.75224	0.7
61.98844	1.3
68.35249	0.8
70.10053	3.8
71.05477	0.9
79.56989	1.0
90.97149	2.9
97.06599	2.5
108.82943	1.0
113.06168	0.7
114.98878	1.2
115.02525	4.2
117.00453	8.8
123.08210	1.7
124.67658	0.7
125.06103	0.9
125.09739	15.7
125.99885	0.8
126.10141	0.8
127.87056	3.2
132.98248	1.0
135.82709	0.8
141.86905	1.5
142.89389	11.0
143.01982	2.4
144.99954	1.8
159.01511	100.0
159.04430	2.2
159.86031	2.9
159.87846	1.3
160.01666	5.9
168.88968	1.0
186.88400	2.8
186.95589	2.0
187.01003	11.7
187.03970	1.7
187.07722	1.9
187.09808	7.2
187.13358	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0979
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
50.56345	0.2
52.12302	0.3
57.03454	4.1
69.03456	0.4
69.55307	1.5
70.96132	0.2
71.32038	0.2
72.10755	0.3
75.16452	0.2
80.02673	0.3
83.05047	0.6
95.05060	1.1
97.06604	12.8
123.08184	6.3
124.08573	0.3
125.09744	100.0
126.10099	2.8
143.10861	1.7
144.69492	0.3
169.08719	2.8
187.09779	38.5
188.10109	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80304	0.2
53.94934	0.2
55.42084	0.2
63.52768	0.2
65.97495	0.2
69.63004	0.8
79.68338	0.2
96.12254	0.2
97.06580	0.3
119.05060	0.3
125.09742	1.3
132.05826	88.4
133.06157	2.6
134.03752	0.3
134.49744	0.2
142.95853	0.2
164.04810	56.6
165.05127	2.0
166.05173	0.2
172.08954	0.8
173.65642	0.2
182.06622	0.2
185.09773	0.2
187.11298	100.0
188.11632	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	187.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.7
59.01390	1.6
61.98836	1.7
65.21268	0.4
71.01406	1.1
72.99305	0.4
78.99863	0.5
80.30525	0.5
81.03489	0.5
81.83230	0.6
90.97144	3.3
96.99339	0.8
97.06622	1.2
119.04996	0.5
123.08192	1.4
125.06135	1.2
125.08828	0.8
125.09737	13.6
126.10074	0.7
129.01955	1.0
129.49692	0.5
132.05826	76.7
132.98206	1.9
133.06152	2.3
141.86858	3.5
159.04500	1.0
159.87903	1.6
164.04810	66.9
165.05112	2.5
169.08716	0.7
186.95651	2.5
187.09824	6.3
187.11293	100.0
188.11638	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	183.1392
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
50.97950	0.2
59.01380	1.2
67.01905	0.6
71.01397	0.6
73.01797	0.3
94.58081	0.3
95.01356	0.3
95.05023	0.2
98.19935	0.5
109.53446	0.2
111.00925	0.6
111.08191	0.3
121.02997	0.3
123.00908	0.3
124.98831	0.3
139.11336	0.4
152.98320	0.4
168.00647	0.9
183.00465	0.7
183.03050	0.5
183.13918	100.0
184.06277	0.4
184.14258	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	183.1391
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
50.67101	0.3
50.96834	0.4
59.01374	1.0
71.01378	0.4
85.39379	0.3
95.01398	0.5
98.20662	0.8
99.26478	0.3
101.02429	0.4
111.00912	0.5
114.55069	0.3
124.01649	0.7
139.00444	0.4
139.11307	0.5
152.98372	0.7
162.98227	0.3
165.01895	0.7
167.73378	0.3
168.00664	1.1
176.59595	0.3
183.00536	0.8
183.02994	0.8
183.13916	100.0
184.14250	2.9
188.99219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1391
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
62.66232	0.2
71.24483	0.5
94.20444	0.2
132.21375	0.2
134.13062	0.3
164.33669	0.3
183.13921	100.0
184.14268	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	183.1392
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
59.01374	1.5
59.42258	0.6
60.65175	0.5
60.69835	0.6
62.07109	0.6
67.01881	0.8
68.99591	1.0
69.27244	2.3
69.27669	3.0
71.01379	0.6
95.01400	0.9
111.00897	1.6
111.04646	0.7
112.98568	0.9
121.06608	0.7
124.98804	1.6
139.00403	0.9
139.07704	1.1
139.11324	4.5
152.98357	1.4
162.15593	0.6
165.01915	0.9
168.00676	1.9
183.03000	1.5
183.10384	2.1
183.13919	100.0
184.14220	4.1
187.08385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1185
Annotation	Epomediol
Peak:m/z	Relative Intensity
59.01388	38.8
63.56450	0.9
66.66791	0.7
69.19311	7.4
71.01393	5.7
71.05033	6.9
111.08188	1.2
111.29687	0.7
113.31753	0.7
115.04028	100.0
116.04358	2.0
139.11287	2.1
141.09213	1.0
166.81857	0.7
167.10789	16.2
167.90681	0.7
183.10262	3.4
185.11850	79.4
186.12189	3.1
202.46010	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0564
Annotation	Scyllo-inositol
Peak:m/z	Relative Intensity
55.01893	0.7
57.03439	0.5
57.05206	0.3
58.00599	1.4
59.01386	27.6
60.60393	0.3
65.94452	0.3
67.63623	0.4
69.03454	0.4
69.35764	0.3
70.64878	1.1
71.01392	20.7
71.05035	2.2
72.98898	0.5
72.99316	12.5
73.02956	7.7
75.00881	100.0
76.01234	0.5
78.95915	2.6
81.03462	5.4
83.01408	1.0
84.02156	0.3
85.02959	4.2
87.00887	17.4
89.02457	9.3
95.01393	0.7
96.95988	0.5
96.96976	1.7
97.02941	1.8
99.00900	6.3
99.04514	1.9
101.02431	1.9
103.00370	0.6
105.01933	1.3
113.02470	1.4
117.01936	1.6
121.19669	0.3
125.02458	3.3
129.01958	0.5
133.01505	0.4
141.02005	0.5
143.02428	0.7
143.03516	8.3
161.00948	2.1
161.04576	13.7
179.05629	56.0
180.06012	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1028
Annotation	Crocusatin B
Peak:m/z	Relative Intensity
52.10661	0.3
52.94965	0.3
57.03452	1.0
67.01889	0.4
69.03465	3.7
70.79749	0.9
76.97442	0.3
79.35638	0.3
80.02702	0.5
83.05033	4.3
85.06602	8.5
89.40768	0.3
93.62973	0.3
95.05036	1.3
95.65231	0.3
97.06600	10.5
100.66736	0.3
111.08167	0.9
121.10234	0.3
123.08183	5.2
130.13744	0.3
137.09775	1.5
139.11308	100.0
140.11642	3.2
152.98244	0.3
165.09239	0.9
183.10287	4.5
183.13916	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1391
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
59.01361	1.0
60.19765	0.7
66.78930	0.7
71.01383	0.9
71.05015	0.7
71.54292	0.7
71.73934	0.7
89.02455	0.8
95.01395	1.1
97.02916	0.6
111.00861	1.2
112.04080	0.6
113.02499	0.6
117.30278	0.6
123.00913	1.6
124.01700	1.0
139.11310	1.1
152.98306	1.3
153.00644	0.9
168.00627	2.2
183.00529	6.5
183.02960	1.5
183.13919	100.0
184.14290	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	179.0563
Annotation	Scyllo-inositol
Peak:m/z	Relative Intensity
55.01883	1.7
57.03461	0.9
58.00595	1.1
59.01384	32.1
68.99833	1.4
69.03468	1.1
69.35655	4.0
69.36053	1.1
71.01388	26.5
71.05024	2.5
71.69575	0.7
72.99310	13.8
73.02950	10.4
75.00879	100.0
81.03462	4.4
81.18180	0.6
83.01392	1.7
85.02951	6.5
87.00884	31.1
89.02454	9.5
89.77435	0.5
92.54063	0.6
95.01385	1.2
96.96959	1.1
97.02968	2.3
99.00893	14.9
99.04522	2.1
101.02461	3.9
103.00397	2.0
112.03016	0.6
113.02457	2.4
117.01943	4.2
125.02467	5.1
126.81747	0.6
129.01993	0.9
131.03529	0.6
133.01443	1.2
135.04541	11.8
135.66809	0.6
141.01962	1.7
143.03529	9.9
159.02971	0.9
161.00923	12.1
161.04561	20.6
164.01181	2.4
179.02191	6.4
179.03696	1.9
179.05617	50.5
180.06082	0.8
189.73129	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0563
Annotation	Scyllo-inositol
Peak:m/z	Relative Intensity
51.77863	0.5
52.67765	0.4
53.55811	0.6
54.58958	0.5
55.01885	5.1
57.03452	0.8
58.00587	2.4
59.01384	45.7
63.02401	0.6
68.99831	0.9
69.03458	1.7
71.01388	48.3
71.05025	2.4
71.30120	1.0
72.00897	0.8
72.99313	22.0
73.02959	9.5
74.62914	0.5
75.00879	100.0
76.01203	0.5
78.95908	1.9
80.34399	0.5
80.96539	0.7
81.03469	4.9
83.01401	1.3
85.02960	5.6
87.00884	30.7
87.04506	0.7
89.02453	12.8
90.98598	1.3
91.05534	0.9
93.03468	1.8
95.01418	1.0
96.96025	1.1
97.02962	2.9
98.00110	0.8
99.00892	32.3
99.04510	2.5
101.02432	3.3
103.00386	10.1
106.06093	0.6
107.01389	1.0
107.05042	2.1
109.02943	1.2
113.02457	1.7
115.00375	0.7
117.01956	6.3
117.03448	0.5
119.05058	1.5
121.03008	0.6
125.02460	3.3
129.01929	0.6
133.01443	6.0
133.05083	0.6
134.03746	4.5
135.04538	52.7
136.04863	2.3
136.07732	0.6
137.02422	0.7
141.01920	1.4
142.99883	1.5
143.03513	10.7
159.02972	0.7
161.00932	61.7
161.04550	16.3
161.05902	0.9
162.01314	1.3
163.04036	1.5
164.01143	1.2
178.99873	0.8
179.00261	0.8
179.01990	20.8
179.03580	5.4
179.05617	50.1
180.06516	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.2
59.01386	2.1
63.02404	2.3
65.00342	1.0
65.03971	0.3
66.03506	0.2
67.01900	0.3
69.03459	0.4
71.01392	2.2
72.99304	0.3
73.02960	0.4
75.00874	0.5
75.74599	0.1
78.95908	0.5
79.05532	0.2
81.03465	0.2
83.01395	2.1
83.05016	0.3
85.02954	1.0
87.00886	4.6
89.02461	0.8
89.03976	0.4
91.01881	0.2
91.05549	0.8
93.03477	1.1
94.03004	0.2
95.01411	1.0
95.05045	0.3
96.02200	0.1
96.96032	0.2
96.96983	0.2
97.02975	0.4
99.00893	1.3
101.02444	0.4
106.04266	0.4
107.01410	2.4
107.05036	2.9
108.02182	0.8
109.02980	1.1
111.04543	0.5
113.02490	0.2
117.01989	0.7
117.03472	0.7
120.02209	0.5
121.02946	0.5
123.04542	0.4
125.02460	0.4
125.06152	0.1
133.02956	0.2
134.03763	6.3
135.04543	100.0
136.04874	3.0
136.07686	0.5
137.02469	1.5
141.01906	0.2
146.03763	0.5
149.02382	0.3
151.00397	4.3
151.04010	2.0
154.44032	0.1
157.56627	0.1
159.02878	0.2
161.00975	0.5
161.02420	0.2
161.04579	2.1
161.05978	0.2
163.00479	0.2
164.01176	7.6
164.04810	0.7
169.01384	0.9
174.58084	0.2
178.99991	2.5
179.03526	17.2
179.05655	2.5
179.07114	0.7
180.03848	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03320	0.2
59.01388	0.3
60.98229	0.2
61.98835	0.6
69.88605	0.6
69.89017	0.5
75.05154	0.2
77.02543	0.2
79.95744	0.2
80.72322	0.2
84.87090	0.2
109.93448	0.2
119.93735	0.7
122.09539	0.2
134.96104	49.1
135.96173	2.8
136.94023	100.0
137.94101	5.1
138.94417	0.3
145.27736	0.2
151.92732	16.7
152.53665	0.2
152.92847	0.7
178.95076	61.3
179.95166	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	179.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.2
56.13911	0.2
57.03452	0.3
59.01388	3.2
63.02404	2.3
63.43529	0.2
65.00330	0.9
65.03979	0.3
66.03486	0.4
66.28605	0.1
67.01888	0.4
68.99830	0.2
69.03460	0.7
71.01390	3.7
71.54169	0.2
72.99313	0.5
73.02962	1.0
75.00876	0.7
78.95917	1.0
79.05558	0.2
81.02195	0.4
81.03497	0.3
83.01396	2.7
83.05029	0.3
85.02946	1.7
87.00886	8.1
87.45364	0.1
89.02454	1.2
89.03973	0.3
91.01913	0.2
91.05557	0.7
93.03470	1.1
94.03001	0.4
95.01409	1.4
96.02162	0.2
96.96023	0.2
96.96947	0.8
97.02965	0.8
99.00887	2.0
101.02453	0.9
103.00410	0.3
106.04265	0.3
107.01405	2.6
107.05042	3.5
108.02194	0.8
108.04579	0.3
109.02982	1.3
111.04523	0.7
113.02443	0.6
115.96387	0.2
117.01945	1.6
117.03481	0.7
118.46593	0.2
120.02181	0.5
120.04552	0.2
121.02944	1.0
123.00874	0.3
123.04523	0.4
125.02473	1.0
129.01997	0.2
133.02988	0.2
134.03752	6.7
135.04539	100.0
136.01694	0.4
136.04866	3.3
136.07678	1.3
137.02470	1.5
141.01933	0.7
146.03741	0.9
147.00842	0.3
147.03003	0.2
149.02444	0.4
150.03154	0.2
151.00375	4.3
151.04025	2.2
151.07588	0.2
159.02986	0.5
161.00949	0.8
161.02406	0.3
161.04573	4.4
161.05925	0.3
163.00377	0.3
164.01169	7.9
164.04781	1.0
165.01653	0.2
169.01439	1.0
177.04095	0.2
178.99974	2.7
179.03523	17.7
179.05615	4.7
179.07103	0.8
179.10754	0.4
180.00188	0.2
180.03856	0.5
180.06563	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	177.0196
Annotation	6,7-Dihydroxycoumarin 
Peak:m/z	Relative Intensity
50.79382	0.3
63.02402	3.3
65.00324	2.7
67.01889	0.4
70.84438	0.6
77.03979	0.9
81.03456	2.1
83.01386	0.4
89.03979	11.5
90.04330	0.3
91.01907	2.1
93.03465	1.6
95.05043	1.5
105.03471	13.1
106.03745	0.3
107.01416	3.3
109.02962	1.4
111.08620	0.3
121.02967	1.3
123.04548	0.9
132.02199	0.6
133.02975	32.3
134.03313	1.1
135.00905	11.1
139.04042	0.7
139.26050	0.3
149.02460	4.1
151.00406	2.8
153.03876	0.4
159.00928	0.5
162.03261	2.3
171.89743	0.3
176.01253	0.5
177.01950	100.0
178.02312	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	177.056
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
59.01373	0.5
59.46572	0.4
64.49562	0.3
68.69511	0.3
69.59651	0.7
69.60057	1.5
71.01381	0.3
93.03465	1.2
105.03487	1.0
117.03481	42.0
118.04337	4.4
121.02972	25.7
122.03294	0.7
123.04537	8.8
124.04929	0.3
133.02979	6.5
133.06563	0.6
134.03763	3.0
145.02971	61.9
146.03326	2.5
147.04538	0.4
149.02467	1.2
149.06059	0.9
162.03250	13.7
163.03535	0.3
170.66751	0.3
177.02049	2.7
177.05586	100.0
178.05959	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	175.0614
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
57.03460	0.7
58.42719	0.5
59.01383	4.1
59.24729	0.5
69.86710	1.0
69.87127	1.4
85.06602	44.8
86.06982	0.5
87.04535	2.1
98.19910	0.8
113.06107	41.7
114.06417	0.6
115.04029	100.0
116.04367	1.4
129.05612	1.0
131.07156	8.1
157.05069	9.4
175.06139	42.4
176.06477	1.0
184.78055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0977
Annotation	L-Cladinose
Peak:m/z	Relative Intensity
55.01896	0.6
57.51958	0.6
58.00579	0.6
59.01387	5.7
64.38870	0.6
69.03457	3.0
71.01403	3.1
71.55254	0.9
72.99316	0.8
83.05054	0.7
85.02960	27.6
85.06599	27.3
85.07121	1.3
86.06953	0.8
87.00893	3.3
95.05025	0.6
101.06094	28.5
113.06105	60.6
114.06435	1.8
115.00382	2.9
115.04025	1.5
115.07664	0.8
129.05600	48.3
129.09236	7.3
130.05893	0.8
131.07161	34.0
132.02202	3.6
135.04477	0.8
147.04546	1.2
148.01781	0.8
157.01491	0.7
160.01682	5.6
160.05302	1.0
174.88963	2.0
175.02617	1.4
175.04028	5.5
175.06163	2.6
175.09778	100.0
176.10141	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0821
Annotation	Suberic acid
Peak:m/z	Relative Intensity
54.21204	0.5
57.03457	6.4
59.01387	26.2
60.99301	0.5
61.46291	0.4
67.01897	4.4
69.03465	1.4
69.50603	3.3
71.01391	1.8
72.99303	0.5
81.03479	1.3
83.01396	0.5
83.05035	14.1
85.02957	0.7
85.06605	6.0
93.03476	14.3
94.03820	0.6
99.00865	1.0
109.06596	3.9
111.00898	1.7
111.04525	1.9
111.08176	100.0
112.08530	1.8
113.06095	5.5
129.08324	0.6
129.09244	5.2
131.07156	24.9
132.07457	0.5
145.63638	0.5
155.07187	1.0
171.73895	0.5
173.04552	1.3
173.08215	33.0
174.08636	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1186
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
57.68536	0.4
59.01395	0.5
67.01892	1.6
69.03453	0.9
69.68403	0.6
69.68813	1.3
71.01378	0.4
81.03483	0.3
83.05053	0.6
85.02972	0.4
93.03465	6.3
98.20644	0.6
111.04514	1.0
111.08217	0.4
121.00336	0.4
125.09780	0.4
127.11313	12.4
142.95143	0.4
155.10799	2.8
171.10291	1.2
173.11842	100.0
174.12209	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	175.025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.5
59.01385	47.7
68.83768	2.1
68.99821	5.5
69.03471	9.6
69.94464	8.7
71.01389	31.4
71.05015	6.6
72.00924	3.7
72.99313	18.6
73.02960	20.3
75.00873	5.9
77.09116	1.9
78.95903	9.7
83.01396	4.3
85.02961	9.5
85.06582	5.0
85.07881	1.8
86.00098	11.2
87.00893	30.4
87.04511	2.2
89.03584	14.9
91.77034	1.9
92.96008	4.5
96.99288	2.8
97.03010	3.5
98.20601	2.8
99.00888	7.8
99.67373	2.2
100.98817	25.8
101.02507	9.9
113.06110	13.9
115.00399	21.1
115.04023	32.3
117.01959	10.6
119.05016	2.8
124.98808	7.3
125.02536	3.6
127.97545	23.4
130.04202	2.1
130.97539	4.9
131.05040	4.1
131.07182	3.0
132.04144	2.3
133.05084	30.4
133.69234	2.1
142.99896	5.7
146.97079	12.2
147.04553	4.3
148.98637	100.0
149.98694	4.8
157.05077	4.1
174.82877	35.2
174.88991	4.1
174.96561	17.3
175.02473	7.0
175.03983	11.2
175.06201	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0093
Annotation	Dehydroerythorbic acid
Peak:m/z	Relative Intensity
50.57536	0.6
53.00313	3.6
55.01891	6.6
57.03450	2.9
58.02983	1.3
59.01378	5.8
67.01900	2.8
68.99833	3.3
70.72337	1.3
71.01395	87.0
72.01733	0.8
72.99323	4.4
73.02948	4.1
80.99834	2.4
83.01404	7.5
85.02959	5.9
87.00890	5.7
93.03477	2.8
96.99333	6.2
98.19872	0.8
99.00900	28.4
111.00897	12.5
111.04558	1.1
111.12572	0.7
112.98827	31.9
115.00404	4.3
124.98827	33.3
128.07196	1.4
129.01971	1.8
131.08250	0.7
140.98326	4.4
142.99884	100.0
144.00212	2.5
154.99930	1.3
173.00914	9.0
173.08109	0.7
173.88965	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64908	0.8
53.00309	3.8
54.25942	0.7
55.01886	7.0
57.03449	3.8
59.01388	11.2
64.51202	0.9
67.01901	6.4
68.99828	4.0
69.57609	1.7
69.58016	4.9
71.01390	100.0
72.99318	4.8
73.02955	8.3
80.99851	2.0
83.01393	12.3
83.05033	1.3
84.99306	1.6
85.02966	6.3
85.06607	1.0
87.00892	8.2
93.03481	4.7
96.99300	4.8
99.00891	31.9
101.02460	0.8
111.00899	41.7
111.04525	3.5
112.98822	79.7
113.99161	1.4
115.00388	5.6
124.98827	26.3
127.00383	0.9
129.01993	1.9
129.05647	1.0
140.98328	2.6
142.27609	0.8
142.99879	79.9
144.00255	1.7
154.99913	1.1
155.03477	1.2
173.00925	6.7
173.04539	1.1
173.08063	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1029
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
53.14545	0.5
58.05267	0.4
71.12668	0.5
72.62552	0.6
73.59933	0.4
74.71992	0.5
79.39391	0.5
99.08163	0.7
112.23816	0.5
125.09765	3.3
127.07652	1.1
127.11313	6.9
127.45049	0.6
131.32228	0.6
153.09247	1.5
158.30446	0.5
171.02058	0.8
171.10303	100.0
172.10710	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	172.0981
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
57.03489	0.5
58.02987	1.6
59.01438	0.9
60.99343	0.6
67.01890	1.8
69.03491	0.5
71.01379	1.4
71.54447	0.3
72.99319	0.5
73.03008	0.4
82.06664	0.8
83.01405	0.5
83.05069	0.4
85.02998	0.6
87.82536	0.3
93.03469	8.8
99.00915	0.7
111.00891	1.6
111.04542	0.9
111.08191	0.4
112.98843	0.9
116.05145	0.4
128.10826	2.2
129.01965	0.4
129.05489	0.3
130.08752	100.0
131.09100	2.6
142.99843	0.6
144.04597	1.9
172.04027	0.8
172.06184	0.3
172.09756	12.3
173.02264	0.3
173.04471	0.9
173.05928	0.4
173.08061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0093
Annotation	Dehydroerythorbic acid
Peak:m/z	Relative Intensity
51.89534	0.5
53.00318	4.0
53.80384	0.5
55.01886	3.8
57.03456	2.3
58.02975	0.5
59.01390	9.8
60.99306	1.3
67.01900	2.8
68.99838	3.9
70.01757	1.5
70.02162	1.0
71.01389	74.9
72.01724	1.1
72.99318	5.3
73.02957	4.9
78.95924	1.6
80.99826	1.7
83.01398	11.3
84.99338	1.1
85.02959	2.6
87.00884	10.5
93.03477	2.6
96.96982	1.9
96.99317	4.6
99.00895	16.1
101.82936	0.4
111.00907	9.0
111.04530	1.7
112.98824	100.0
113.99149	1.5
115.00390	5.7
124.98823	18.9
125.99148	0.8
127.00389	0.5
129.01933	1.2
130.78816	0.4
131.08290	1.7
140.98314	4.2
142.99878	80.8
144.00211	1.6
155.03499	0.9
173.00931	1.7
173.09320	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1078
Annotation	(1alpha,4alpha,7S*)-5-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
Peak:m/z	Relative Intensity
52.93124	0.6
59.01417	0.7
59.45719	0.7
64.36716	0.7
65.00315	0.7
66.03490	1.4
67.01914	0.9
68.99837	1.3
69.03474	1.0
71.01411	0.6
79.01886	0.7
80.02677	1.2
80.96519	1.1
81.03464	1.7
82.02991	7.8
82.95430	1.2
83.01377	1.4
85.02979	0.9
91.01908	2.4
91.51659	0.7
93.03485	1.2
95.01395	5.9
95.05042	2.2
97.02962	2.3
99.04494	0.9
108.02190	28.1
108.04576	1.3
109.03008	1.3
111.04512	0.8
121.02971	1.9
123.00905	5.1
123.03622	1.5
123.04548	18.3
123.08176	1.9
124.01664	1.7
124.04033	1.5
124.04871	1.4
125.02465	2.9
132.86778	1.0
137.02553	1.1
138.03267	1.1
139.00423	1.3
139.03972	3.9
151.00478	1.0
152.01173	46.1
153.01630	1.1
166.83344	4.7
166.99887	2.2
167.03525	24.0
167.07144	2.9
167.10796	100.0
167.99597	0.7
168.03979	0.9
168.06654	2.4
168.11179	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	167.108
Annotation	(1alpha,4alpha,7S*)-5-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
Peak:m/z	Relative Intensity
51.35590	1.6
51.40880	1.5
59.98533	9.5
61.98840	3.0
70.45074	2.0
82.02995	3.5
82.95437	2.7
85.02957	2.1
91.01913	2.2
93.80581	1.7
95.01393	2.9
98.03740	1.8
99.04538	10.8
108.02182	14.2
119.34383	1.9
123.00903	4.0
123.04546	10.5
124.01662	2.0
139.03975	2.5
147.16096	1.8
152.01170	31.1
166.83322	2.9
167.03551	16.1
167.10794	100.0
168.06711	2.4
168.11154	4.5
179.01210	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20844	0.3
51.35089	0.3
58.02982	100.0
59.03331	0.9
61.90821	0.3
61.98844	1.5
68.87231	0.3
68.99835	0.6
69.95592	1.0
70.03017	0.3
72.22034	0.3
81.03477	0.5
82.02988	2.6
82.95426	1.5
88.28979	0.3
96.99323	0.4
108.04581	0.5
122.06229	0.3
124.01765	0.4
125.02445	6.8
126.90408	1.3
153.00566	0.4
160.80257	0.3
168.02913	0.5
168.06728	0.9
168.13925	8.0
168.83731	0.4
168.91502	0.4
169.01424	2.2
173.22989	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0665
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
55.80432	0.4
59.01381	4.8
59.78502	0.5
64.41968	0.5
69.19971	3.7
69.20384	1.2
71.01375	0.7
84.64728	0.5
101.75065	0.5
103.00573	0.5
109.06610	9.3
119.57603	0.5
127.07665	100.0
128.07982	2.9
163.34122	0.5
171.06654	1.8
171.10298	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0272
Annotation	Phosphinoalanine
Peak:m/z	Relative Intensity
53.80749	0.6
55.01897	0.9
66.03490	3.3
69.03466	1.1
69.78732	2.6
69.79146	1.2
71.05024	2.3
80.05079	1.4
81.03464	14.0
83.01420	2.5
84.02171	1.2
91.01907	0.8
93.03452	1.6
94.03008	1.1
94.03823	1.3
95.01415	5.4
95.05039	7.3
97.02956	8.5
99.04530	10.6
108.02220	5.6
108.04585	2.3
109.03053	1.5
110.03317	1.1
111.00887	0.9
121.02983	3.0
122.02464	2.0
122.03324	6.3
122.06141	2.2
123.00901	9.5
123.04549	6.1
124.01681	8.3
124.04053	1.2
125.02480	4.0
137.02467	9.0
138.03320	12.6
138.05632	2.7
139.04054	10.4
148.04057	1.4
149.02441	1.4
151.00443	3.6
152.01170	11.2
155.03503	1.4
165.01967	7.6
166.02740	100.0
166.05066	3.4
166.99883	0.9
167.03516	19.6
167.07216	1.2
170.02251	2.1
170.10933	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1286
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
51.17186	4.3
57.03450	24.4
63.24322	4.0
70.67522	3.4
71.01402	3.1
71.53426	6.8
72.99302	3.7
77.03983	5.8
80.02701	7.0
81.03474	13.4
83.05049	33.3
84.04951	3.3
93.03482	8.0
95.05061	23.4
95.05595	5.4
97.06591	43.8
105.86903	3.6
109.06615	9.3
111.08167	63.7
119.04948	3.6
121.02971	84.5
137.02481	6.5
147.04555	11.7
149.09676	3.3
150.03259	8.4
163.11276	18.0
164.83582	20.9
165.01952	13.4
165.05545	6.8
165.12859	100.0
166.13213	5.9
171.72581	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	165.1287
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
57.03455	29.8
59.01380	3.1
65.00333	1.7
65.99847	2.0
66.03490	1.7
67.85602	0.9
67.86008	0.7
69.03464	1.9
71.01392	5.1
71.05021	2.9
72.99319	3.2
73.02952	1.0
77.03980	4.5
81.03454	2.7
83.05032	5.7
85.02952	3.5
87.00889	1.2
89.02480	1.6
92.99834	4.0
93.03462	8.1
93.99368	1.6
95.01396	1.7
95.05046	2.0
97.06585	4.5
101.02440	2.4
107.05032	0.9
107.81037	0.9
108.04556	1.3
109.02970	3.5
109.06608	4.8
111.08176	49.3
112.08492	1.6
119.05047	6.8
121.02974	100.0
121.06617	1.4
122.02510	1.2
122.03330	4.0
122.06135	1.7
123.04562	1.3
135.04544	1.5
137.02470	8.2
147.04538	13.3
147.11827	0.9
148.04895	1.0
149.00963	4.3
149.89253	0.9
150.03220	5.5
151.00378	1.7
160.69594	0.9
163.11310	1.9
164.83664	8.3
164.89690	4.3
165.01959	16.7
165.04240	1.9
165.05566	7.2
165.07768	1.5
165.09151	2.1
165.12865	85.4
166.01385	1.2
166.05116	3.6
166.13206	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	165.1287
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
55.57542	0.5
57.03455	35.2
58.03789	0.6
59.01378	1.5
66.03481	0.5
67.01906	0.8
69.03468	1.4
69.47141	3.6
71.01385	2.0
71.05022	2.7
72.99316	2.1
73.02962	0.6
77.03967	2.9
80.02691	0.9
81.03467	2.8
83.05035	8.0
89.02454	1.1
90.73540	0.5
93.03461	3.9
93.07095	0.7
95.05026	2.1
97.06606	4.4
98.19878	0.8
107.05054	1.6
108.04593	0.9
109.02982	1.4
109.06586	4.3
111.08174	54.4
112.08500	1.5
119.05033	3.4
121.02975	52.8
122.03332	2.0
123.00867	0.5
123.04559	0.8
123.08147	0.7
135.04553	0.7
137.02486	3.7
137.09772	1.0
138.05658	0.7
147.04550	5.1
147.11812	1.8
149.01004	1.2
149.09749	0.6
150.03233	3.2
151.00397	1.1
155.07123	0.7
163.11327	1.7
164.83649	13.7
164.89604	1.5
165.01968	7.2
165.05540	2.7
165.12863	100.0
166.05064	1.2
166.13214	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	165.0558
Annotation	D-(+)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
66.20991	0.4
68.32158	0.5
69.28194	4.2
69.28586	1.0
72.99317	33.2
75.00894	0.4
77.03983	0.7
91.05542	2.3
92.34070	0.4
93.03491	0.9
98.20664	1.2
101.04005	2.0
103.05556	4.6
114.30866	0.4
117.03499	1.0
119.05042	37.4
120.05389	1.6
121.02974	7.0
123.28341	0.5
137.02386	0.5
147.04544	100.0
148.04871	3.5
150.03239	1.9
165.01938	1.5
165.05589	26.9
166.05907	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0923
Annotation	4-Oxahomoadamantan-5-one
Peak:m/z	Relative Intensity
53.36371	0.3
57.01884	0.3
57.03457	0.5
59.01372	1.0
65.00334	0.4
66.03497	0.6
67.01890	1.0
68.99823	0.4
69.03455	1.8
69.97378	0.3
71.01385	1.4
72.99313	1.1
75.00899	0.5
77.03978	1.2
84.37319	0.3
85.02950	0.6
89.02432	0.5
92.99836	0.3
93.03467	1.3
94.02980	0.3
95.01398	1.4
96.01570	0.5
96.02189	9.5
96.02784	0.6
96.03262	0.3
97.02967	15.6
98.03307	0.5
107.05079	0.4
108.02184	0.4
109.02964	3.7
111.00897	16.2
114.70011	0.3
119.05093	2.1
121.02976	25.0
121.06615	0.9
122.03808	1.0
122.04836	0.4
123.00914	0.5
123.04489	0.8
123.08167	0.6
125.02422	0.4
127.00402	0.5
128.01175	6.9
135.04495	0.7
137.02458	1.8
137.06024	0.3
147.04550	4.0
148.11116	0.3
149.01006	0.7
150.03235	3.0
151.00371	0.5
163.39325	0.3
164.83630	3.2
164.89696	0.4
165.01971	3.7
165.05576	2.3
165.09225	100.0
166.05095	0.6
166.09561	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	163.0403
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
58.42339	0.2
58.93537	0.2
59.01384	0.4
69.55231	1.0
69.55643	0.3
72.61953	0.2
72.99308	0.2
85.02930	0.2
87.54735	0.2
91.05522	0.9
91.88897	0.2
93.03481	1.4
98.20644	0.3
101.02433	0.2
111.69784	0.2
117.03419	0.3
119.05040	100.0
120.05371	3.1
135.04565	0.2
153.74861	0.2
162.83960	0.2
163.00462	0.3
163.04030	5.7
163.06096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1125
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
51.65578	1.2
52.21091	1.2
55.45658	1.2
57.17149	1.2
58.96968	1.3
59.01378	5.3
68.46736	1.1
70.48943	1.6
70.49297	3.4
70.56614	1.0
71.01395	3.3
81.56228	1.3
85.02935	3.9
92.01438	1.2
93.03439	1.3
101.02460	5.3
113.02420	1.3
119.05039	76.0
120.05412	2.4
131.03546	1.5
133.07745	1.3
147.08168	2.0
163.00374	3.4
163.04027	3.6
163.06099	7.0
163.11305	100.0
164.11630	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	164.0719
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
51.73000	0.6
69.80122	1.3
69.80526	2.1
72.00919	41.6
75.00845	0.5
91.05550	3.0
92.88820	0.6
93.03489	0.7
98.20585	0.8
103.05544	5.4
119.05072	2.1
120.05392	1.0
121.02943	1.2
127.85991	0.6
146.06145	1.1
147.04541	100.0
148.04883	3.7
162.48196	0.5
164.07184	41.1
165.07541	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	164.0718
Annotation	phenylalanine
Peak:m/z	Relative Intensity
53.00402	0.4
54.32861	0.6
59.01381	1.2
70.98857	0.8
70.99179	0.6
71.01381	0.7
72.00917	40.9
72.99290	0.6
73.30821	0.5
75.00879	1.3
77.03969	0.9
85.02950	0.7
87.00872	0.7
91.01904	0.6
91.05528	1.4
93.03468	2.4
98.27322	0.4
101.02522	0.5
103.05531	3.1
105.91438	0.4
118.06615	0.6
119.05042	5.9
120.04605	1.0
120.05375	14.7
121.02972	22.9
121.06612	0.5
122.03744	0.5
123.04518	1.1
135.04556	0.9
136.62340	0.5
137.02438	2.1
143.40111	0.4
147.04539	100.0
148.04875	3.3
149.01065	0.5
150.03227	2.6
164.07190	40.9
165.01958	2.8
165.04237	0.9
165.05649	1.6
165.07559	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.061
Annotation	trans-2-Phenylcyclopropanecarboxylic acid
Peak:m/z	Relative Intensity
55.01868	2.8
57.03457	6.5
58.00590	2.1
59.01387	38.7
67.83090	0.8
69.03448	4.5
71.01389	35.3
71.05026	1.4
71.30145	1.0
71.55182	1.5
72.99311	4.4
73.02956	24.2
75.00881	2.4
76.45204	1.1
81.03473	5.3
83.01393	11.2
85.02961	48.0
87.00890	11.4
87.04514	1.3
87.05531	1.0
87.55757	1.1
87.60355	0.8
89.02445	7.3
91.05545	44.3
92.05878	2.2
97.02966	6.8
99.00897	4.5
99.04520	4.1
101.02460	7.3
101.03945	1.2
113.02464	5.4
115.03974	1.3
115.05489	2.0
117.03489	9.3
117.07121	63.9
118.02993	1.5
118.07451	2.4
119.05032	9.7
125.02467	3.2
126.13223	1.0
129.01984	1.5
131.03508	13.8
132.02203	2.7
133.02979	22.7
133.06618	2.6
135.04558	4.5
143.03510	1.3
146.03725	1.6
150.62715	1.1
158.95750	1.0
160.84166	1.3
160.89262	1.5
161.02509	17.2
161.04572	31.2
161.06078	100.0
162.01913	1.6
162.06406	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	161.0821
Annotation	beta-Cymaropyranose
Peak:m/z	Relative Intensity
53.88784	0.8
58.00608	0.8
59.01375	2.8
69.03457	1.8
69.64793	2.7
69.65203	2.1
71.01385	15.3
71.05028	29.8
72.05362	0.8
73.02956	1.4
83.01410	0.9
85.02950	3.5
85.06636	0.9
87.04523	18.9
94.07006	0.7
97.88890	0.8
98.20612	1.6
99.04529	98.3
100.04856	1.5
101.06071	1.5
113.06099	1.0
115.04027	55.2
115.07648	11.8
117.05592	34.0
117.06454	1.1
131.03505	0.9
133.02957	4.0
135.28673	0.8
156.54350	0.7
161.02452	3.0
161.04559	2.3
161.08211	100.0
162.08522	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	161.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98485	1.2
58.28120	0.8
59.01376	4.2
67.26305	1.1
67.67770	0.9
69.03456	1.8
70.00243	2.4
70.00659	2.9
71.01390	16.0
71.05032	31.8
73.02940	3.3
75.57831	1.0
83.01424	2.0
85.02961	5.6
85.06612	1.2
87.04523	20.0
89.02462	1.1
93.69579	1.0
99.04533	94.7
101.06088	1.3
115.04028	58.2
115.07665	12.3
116.04357	0.9
117.05599	40.4
131.03506	1.5
133.02048	0.9
133.02959	4.1
133.96559	0.9
161.02486	1.4
161.04576	3.9
161.08215	100.0
162.08572	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	158.046
Annotation	N-Methyl-2-oxoglutaramate
Peak:m/z	Relative Intensity
56.01405	1.0
57.03449	2.7
58.02977	0.5
59.01385	0.6
66.24195	0.4
71.01381	0.8
71.52747	0.6
83.01401	1.4
84.04554	10.0
86.06127	91.2
87.06461	1.8
88.87280	0.4
96.04554	2.1
96.83791	0.4
97.02979	0.4
102.74030	0.4
112.04062	100.0
113.04397	3.0
114.05620	18.5
115.12516	0.5
152.83986	0.5
158.04607	17.8
159.04906	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28745	0.8
55.01889	8.0
57.03456	26.4
58.00598	3.2
59.01387	2.2
59.05021	1.8
69.03472	1.9
69.58204	5.5
71.01390	6.2
73.02950	1.8
75.49992	0.8
83.01398	100.0
84.01736	1.9
85.02966	10.9
87.00932	1.6
87.04533	13.9
98.19938	1.7
99.00914	4.9
101.02422	1.2
111.00899	1.0
116.92863	1.3
122.20824	0.9
127.00404	7.1
158.84782	0.9
159.03009	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	161.0457
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
55.01873	5.6
55.90681	1.4
57.03453	100.0
58.00593	2.0
58.02983	2.0
59.01385	58.8
62.07827	1.4
66.59228	1.4
69.03474	8.2
69.47452	10.6
69.47791	2.2
71.01391	44.1
71.05025	7.1
72.99314	3.6
73.02557	2.9
73.02950	32.9
75.00874	2.7
79.73376	1.7
81.03464	4.6
83.01388	15.0
85.02956	40.4
86.03327	1.4
87.00891	29.1
89.02458	3.1
95.01388	1.9
97.02963	12.1
99.00900	11.0
99.04527	91.7
100.04869	1.8
101.02451	47.6
113.02470	2.1
115.04009	3.7
117.05587	6.0
125.02448	6.9
131.03528	6.0
143.03491	13.2
161.00949	2.1
161.04559	58.5
161.05919	3.1
162.04880	1.5
176.14093	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	2.6
57.03463	1.2
59.01398	0.6
61.98846	1.3
65.04037	0.6
66.03495	12.4
67.01918	1.7
67.03861	0.7
68.99828	1.0
69.03462	0.7
71.01400	1.1
71.54270	1.0
71.71603	0.5
72.99319	1.2
73.02962	1.3
73.85740	0.5
81.03484	2.3
82.02992	3.3
83.01396	7.4
83.05043	0.8
92.05062	5.3
93.03463	1.4
95.01403	1.5
95.05042	17.7
96.96021	27.8
98.02504	1.5
108.04569	0.8
109.03012	1.3
110.02574	0.9
110.03313	3.2
110.06126	0.8
111.00964	3.4
111.04535	4.9
111.08161	0.7
112.01698	0.8
112.04046	1.4
113.06094	1.8
123.00942	1.4
123.43546	0.6
124.04051	8.0
126.09262	1.9
127.00407	2.4
127.04003	0.8
136.04077	4.4
137.02464	2.4
139.04027	100.0
140.01202	4.4
140.04353	3.7
140.16296	0.5
150.38945	0.6
153.86880	33.7
154.01328	1.6
154.02402	1.4
154.05112	4.1
154.06351	22.6
154.07643	1.3
154.86896	3.3
154.90656	3.2
154.99850	2.6
155.03503	1.8
155.05519	0.6
155.06712	1.0
155.10854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94302	0.4
55.01869	1.0
57.03459	4.2
58.02971	1.0
59.01399	0.8
61.48089	0.3
69.03452	0.7
71.01383	1.8
71.05010	0.6
71.53549	0.4
73.02959	0.7
83.01392	3.8
84.04557	11.0
85.02955	2.1
86.02493	0.5
86.06127	90.8
87.00899	1.1
87.04536	0.6
87.06435	1.8
96.04555	2.4
97.02989	0.8
99.00904	1.6
111.00893	0.7
112.04061	100.0
113.02509	0.5
113.04413	2.4
114.05618	18.7
115.04004	1.0
115.05972	0.4
116.07212	0.5
127.00446	0.5
130.05165	0.4
141.01979	0.6
150.95647	0.3
158.04604	18.0
158.08124	1.7
159.03023	1.5
159.04958	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94302	0.4
55.01869	1.0
57.03459	4.2
58.02971	1.0
59.01399	0.8
61.48089	0.3
69.03452	0.7
71.01383	1.8
71.05010	0.6
71.53549	0.4
73.02959	0.7
83.01392	3.8
84.04557	11.0
85.02955	2.1
86.02493	0.5
86.06127	90.8
87.00899	1.1
87.04536	0.6
87.06435	1.8
96.04555	2.4
97.02989	0.8
99.00904	1.6
111.00893	0.7
112.04061	100.0
113.02509	0.5
113.04413	2.4
114.05618	18.7
115.04004	1.0
115.05972	0.4
116.07212	0.5
127.00446	0.5
130.05165	0.4
141.01979	0.6
150.95647	0.3
158.04604	18.0
158.08124	1.7
159.03023	1.5
159.04958	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0356
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
51.82122	0.3
52.47842	0.3
59.24501	0.3
65.00347	0.2
66.03495	61.5
67.03832	1.1
68.99830	0.5
69.03457	0.4
81.03482	1.2
82.02960	0.3
83.01428	0.4
85.02965	0.6
95.01414	0.3
96.99325	0.3
97.02964	0.4
108.02184	2.2
108.04575	0.9
109.02975	11.9
110.00124	3.9
121.03017	0.7
122.03757	41.7
123.04146	1.1
124.04846	0.4
124.98882	0.4
125.02473	1.6
135.04544	0.9
137.02029	1.0
137.99620	5.5
151.87576	0.4
152.03551	100.0
152.07053	2.9
153.01974	6.0
153.03876	3.4
153.05080	0.4
153.05638	0.6
153.09286	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0195
Annotation	Gentisic acid
Peak:m/z	Relative Intensity
65.00340	0.5
65.03961	0.9
66.03486	1.9
67.01887	0.6
67.03818	0.7
68.99821	0.7
69.03465	2.0
70.90988	0.5
70.91333	0.9
71.01364	0.5
72.99296	0.7
79.01901	1.0
81.03467	3.7
82.02972	0.7
83.01395	1.5
83.05021	0.6
85.02951	1.1
87.52729	0.4
95.01398	1.4
97.02957	2.1
107.01371	0.7
107.05009	0.5
108.02180	8.6
109.02968	23.4
109.06599	1.1
110.00108	11.6
110.02532	0.5
110.03273	0.9
123.00887	1.0
123.04533	2.6
124.01668	1.7
124.04055	1.3
125.02444	6.9
125.09697	0.4
126.01933	0.4
135.04510	0.8
136.04108	0.7
137.99602	13.2
138.03326	0.4
142.35300	0.4
151.00368	1.3
152.01141	3.4
153.01949	100.0
153.05371	1.8
154.02298	4.7
154.05115	1.4
158.47591	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0196
Annotation	2,3-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
65.03971	19.0
66.04291	0.5
67.01897	7.6
69.39789	1.9
69.40217	1.3
70.81635	0.3
81.03436	0.4
91.01913	6.2
98.20708	0.7
109.02965	100.0
110.00121	1.3
110.03293	2.9
125.02481	0.5
135.00903	31.2
136.01237	1.0
137.99644	2.3
153.01958	61.1
154.02287	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0533
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34237	1.7
52.98793	1.4
59.01377	5.1
71.01395	13.1
71.54881	3.5
73.02953	4.1
87.00895	1.9
89.02458	27.2
93.03472	7.1
94.99314	6.2
95.05064	2.6
104.97749	2.7
105.03481	3.6
109.87890	1.6
119.05038	6.4
120.04579	2.4
121.02982	47.4
122.03337	2.2
131.03539	2.7
134.03801	3.9
147.04544	33.7
148.05325	100.0
148.96741	3.3
149.02489	7.2
149.04561	8.6
149.05833	6.9
153.68332	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0457
Annotation	L-ribulose
Peak:m/z	Relative Intensity
59.01377	4.2
64.56451	0.9
69.03455	3.6
69.64665	4.9
71.01392	31.9
73.02956	20.2
87.00892	10.9
89.02456	100.0
89.35305	0.9
90.02805	1.6
101.02430	1.7
103.04021	3.0
131.03506	8.5
149.04567	27.6
149.05730	1.9
150.04904	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0457
Annotation	L-ribulose
Peak:m/z	Relative Intensity
57.03465	0.5
59.01385	5.0
69.03111	0.5
69.03442	2.0
69.44614	2.5
71.01388	32.6
72.01729	0.8
73.02954	20.9
75.00867	0.6
85.02961	0.7
87.00885	9.9
89.02454	100.0
90.02779	1.9
94.05618	0.4
101.02467	1.1
101.56039	0.3
103.04005	4.1
105.16392	0.4
131.03520	10.0
131.08183	0.3
136.44447	0.3
142.79099	0.3
148.86401	0.9
149.04573	30.8
150.04890	0.6
159.67302	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0974
Annotation	2-Adamantanone
Peak:m/z	Relative Intensity
53.86361	0.2
59.01376	1.0
69.30901	0.9
69.31319	1.4
71.01396	2.0
73.02950	1.1
81.02222	0.4
82.03011	0.4
87.00907	0.5
89.02455	5.2
93.03489	0.4
94.99321	1.8
95.05020	0.3
103.44975	0.2
104.97768	0.6
109.02911	0.5
121.02961	2.9
122.03752	0.8
131.03572	0.5
133.06606	1.8
134.03748	0.7
148.05334	0.9
149.02484	1.6
149.04764	1.5
149.06134	2.6
149.09737	100.0
150.00250	0.9
150.01988	0.3
150.05606	0.5
150.10085	6.1
151.04042	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	144.0668
Annotation	4-Acetamidobutanoate
Peak:m/z	Relative Intensity
58.02981	100.0
59.03317	1.6
69.85381	1.6
69.85789	2.9
73.02956	4.2
87.98197	1.0
89.28748	0.8
98.19950	1.0
100.82854	0.9
102.05621	67.6
144.04582	4.7
144.06670	9.8
144.96490	52.3
146.93210	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0145
Annotation	5-Hydroxy-2,4-dioxopentanoate
Peak:m/z	Relative Intensity
50.32956	3.2
50.84932	2.8
57.03450	8.0
59.01376	8.8
69.79542	11.7
69.79942	7.8
71.01389	33.3
72.99300	4.9
73.02954	8.7
83.01400	9.0
87.00878	19.5
87.42024	3.0
101.02428	21.2
102.05605	8.0
112.98857	3.8
115.00426	16.4
127.00414	7.5
127.05126	8.4
128.03503	5.4
144.96494	100.0
145.01433	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	145.0872
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
57.03451	10.5
58.84664	2.1
60.13890	2.5
68.25092	2.4
70.58818	4.7
71.05026	18.9
83.05031	6.9
87.73440	2.5
99.08164	100.0
100.08533	3.6
117.03464	16.8
127.07675	5.7
145.02913	6.3
145.05040	3.9
145.07671	4.2
145.08722	38.7
146.02473	6.1
162.63693	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	145.0873
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
69.03456	1.0
71.00008	1.2
71.00347	1.1
81.85365	0.8
83.05046	2.3
91.37650	0.9
93.87892	0.9
97.06593	2.3
99.08169	100.0
100.08501	3.6
111.99768	0.9
117.03522	1.3
118.39371	0.8
145.08731	34.1
146.02507	1.4
146.09064	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.7
55.19151	1.3
56.93689	1.3
57.03458	27.4
59.01384	15.7
71.01389	4.8
72.40811	1.3
75.00878	2.3
84.02169	2.8
85.02961	100.0
86.03294	1.6
87.00880	2.5
90.71336	1.4
93.94992	1.5
103.00374	1.8
103.05936	2.9
113.63461	1.5
129.03844	3.0
135.08549	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0302
Annotation	Citramalate
Peak:m/z	Relative Intensity
55.01872	5.7
55.19151	1.3
56.93689	1.3
57.03458	27.4
59.01384	15.7
71.01389	4.8
72.40811	1.3
75.00878	2.3
84.02169	2.8
85.02961	100.0
86.03294	1.6
87.00880	2.5
90.71336	1.4
93.94992	1.5
103.00374	1.8
103.05936	2.9
113.63461	1.5
129.03844	3.0
135.08549	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0454
Annotation	Dihydrocoumarin
Peak:m/z	Relative Intensity
55.18694	8.0
57.15216	7.7
62.64478	8.3
69.18678	7.7
69.19314	62.0
69.19601	7.1
75.26914	8.5
75.33783	8.0
79.15324	9.0
101.03965	11.3
103.05579	42.6
119.05095	18.3
147.04550	100.0
148.04848	13.5
161.66162	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	147.0666
Annotation	(2-Ethoxyethoxy)acetic acid
Peak:m/z	Relative Intensity
54.69078	1.5
55.01868	1.5
57.03453	23.5
59.01389	6.2
60.50235	1.4
71.01388	5.6
71.05035	9.7
71.44581	2.4
72.99316	3.4
73.02954	11.5
73.06673	1.5
75.00887	1.9
83.05026	3.3
85.02962	100.0
85.82269	1.4
86.03316	2.3
90.19307	1.5
101.02462	36.0
101.06084	9.5
103.04025	14.6
129.01955	4.9
145.01424	1.5
147.02957	1.8
147.06647	40.9
148.07068	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	147.0665
Annotation	(2-Ethoxyethoxy)acetic acid
Peak:m/z	Relative Intensity
51.04207	1.0
55.01886	2.6
57.03452	24.3
59.01377	5.4
62.43060	1.0
62.54022	1.0
64.75428	1.1
71.01395	3.9
71.05027	7.3
71.28005	2.3
72.99318	22.1
73.02952	10.5
75.00877	5.5
85.02956	100.0
86.03296	1.8
87.00883	4.8
101.02451	29.8
101.06065	6.3
103.04023	14.6
129.01958	7.5
147.06644	46.7
155.51805	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9988
Annotation	3-Vinyl-4H-1,2-dithiin
Peak:m/z	Relative Intensity
53.00320	23.0
54.11195	3.1
58.02954	5.8
58.82662	3.5
59.01387	5.7
67.18926	3.2
68.99842	3.9
69.91216	16.6
71.01389	40.8
80.99837	6.6
85.87183	3.5
87.00879	8.5
94.49144	3.5
96.99323	26.2
102.05636	5.8
112.98844	31.7
113.30906	3.3
115.00388	5.4
124.03471	3.4
124.98823	61.3
140.98329	13.4
142.99876	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00318	32.0
56.76366	4.5
59.01369	11.0
68.99820	6.9
70.17826	4.1
70.83235	5.7
70.83537	7.3
71.01390	42.5
80.99822	8.3
87.00885	11.2
93.05135	4.5
96.99324	32.0
100.30431	4.3
112.98803	46.0
115.00327	5.7
121.84364	4.3
124.98817	68.3
140.98326	11.5
142.99881	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0716
Annotation	trans-4-Hydroxycyclohexanecarboxylate
Peak:m/z	Relative Intensity
55.01883	4.4
57.03453	6.2
69.03458	6.7
71.01383	17.1
71.05049	17.3
71.54314	3.2
81.03455	10.5
82.96013	3.8
83.01379	3.7
83.05024	24.0
85.02956	12.7
87.04516	5.4
92.96217	2.9
94.01669	3.2
97.02948	6.7
97.06602	30.4
99.00925	3.6
99.04546	9.3
99.08171	100.0
100.08469	5.5
107.86324	3.5
124.98806	4.2
125.02477	8.0
125.06103	17.5
142.99870	4.4
143.03549	8.1
143.07178	22.9
143.10759	9.4
144.04582	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0716
Annotation	trans-4-Hydroxycyclohexanecarboxylate
Peak:m/z	Relative Intensity
52.46867	5.2
57.03452	8.3
59.01394	27.2
60.66717	5.8
61.63335	5.3
67.79894	6.2
69.44470	14.0
69.44877	25.2
71.01403	6.9
73.02950	10.0
81.07108	78.5
83.40719	6.4
85.06569	7.7
87.92606	5.9
97.06587	20.0
98.20699	10.2
99.08163	88.0
101.06091	7.1
104.35659	5.1
113.06108	7.1
115.07664	100.0
116.07977	7.4
125.06023	7.3
142.48056	5.9
143.07111	23.8
143.08211	5.5
144.04587	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.02
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
51.55706	0.3
52.42226	0.3
59.78116	0.4
61.78028	0.3
66.03503	0.5
67.01896	0.7
68.99819	0.4
69.34366	3.0
93.03482	0.8
94.02976	0.4
94.03815	2.6
108.02189	75.5
109.02526	3.8
111.00894	2.5
123.03313	0.5
124.01656	0.4
136.00452	0.5
138.01987	100.0
139.00377	1.0
139.02336	4.1
139.04016	0.8
156.93051	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0564
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
52.05907	1.0
55.01886	1.7
59.01371	0.8
66.03496	3.3
67.01883	2.8
67.98957	0.8
68.80273	0.9
72.04056	1.0
79.11198	1.0
83.01399	2.7
84.37904	1.1
93.03494	1.5
94.03030	2.0
94.03812	4.8
95.05051	1.4
98.20664	2.8
108.02194	11.0
110.00115	1.5
110.02552	1.3
111.00898	12.8
122.02501	2.3
123.03288	75.4
124.01650	2.3
124.03606	4.1
136.04041	1.4
137.99634	1.1
138.01988	19.7
138.05632	100.0
139.00418	7.0
139.02356	1.0
139.03981	1.8
139.05986	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	139.1131
Annotation	(2-exo,3-endo)-2,3-dimethyl-Bicyclo[2.2.1]heptan-2-ol
Peak:m/z	Relative Intensity
54.00078	5.7
55.01862	8.0
56.29767	7.7
57.03456	11.3
60.21701	6.0
60.94213	5.9
67.01912	7.0
69.03457	12.4
69.38773	39.2
72.60067	6.9
76.61455	6.1
83.05017	7.1
85.06599	33.5
95.05056	8.5
97.06597	56.9
111.00890	22.3
123.08169	27.9
137.09621	6.6
139.00360	10.8
139.11305	100.0
140.11623	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	133.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.4
59.01377	1.7
65.01453	1.5
68.02543	1.3
68.43877	0.6
69.03479	0.9
69.97234	2.9
71.01390	38.2
72.99316	17.2
75.00874	3.4
87.00892	10.1
87.04537	3.0
89.02442	3.3
92.02561	8.2
107.03651	38.6
115.00390	24.5
115.03979	0.6
116.00713	0.8
133.01434	4.8
133.05090	19.0
133.06102	1.2
134.04744	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01439	1.2
68.02522	0.8
71.01392	1.5
71.28230	1.4
72.01733	1.9
75.00875	2.2
85.02991	0.8
87.00875	1.4
92.02556	10.0
98.09449	0.6
107.03657	40.0
107.04965	3.2
108.03329	0.9
116.00721	2.6
120.24347	0.6
134.04744	100.0
134.89503	2.9
135.02994	1.0
135.04494	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0475
Annotation	Adenine
Peak:m/z	Relative Intensity
65.01457	1.0
68.02540	0.6
69.70493	2.6
69.70862	0.9
76.28094	0.4
79.54881	0.4
80.02541	0.5
92.02553	11.2
98.19965	0.6
107.03647	39.3
108.04009	1.1
134.04741	100.0
134.86536	0.8
135.04477	2.7
135.05180	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	137.0247
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
53.19494	0.2
62.06924	0.2
65.03963	1.2
69.58070	1.2
69.58493	0.5
69.98093	0.3
93.03470	100.0
94.03806	4.9
110.74685	0.3
137.02458	12.9
138.01897	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	4.7
59.01350	4.4
63.54115	4.7
63.75153	4.3
69.52960	30.7
71.01390	73.7
72.99336	6.7
87.00883	18.5
87.04491	10.5
91.43851	4.3
107.03631	10.0
110.85886	4.5
115.00385	30.7
132.86815	100.0
132.90025	11.4
133.02969	5.6
133.05066	19.2
134.03796	6.9
134.04724	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	3.1
59.98536	0.7
65.01465	1.4
70.41586	1.6
71.01391	67.6
72.01725	1.0
72.99313	7.7
84.00020	0.6
87.00883	22.9
87.04524	5.5
87.55441	0.6
89.02444	5.3
92.02555	8.5
95.51910	0.6
107.03646	38.3
115.00384	26.3
116.00726	1.3
124.98748	0.6
132.86800	7.7
132.90042	0.8
133.01430	5.7
133.04274	0.5
133.05083	23.7
134.04742	100.0
134.24855	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0717
Annotation	Ethyl 4-hydroxybutyrate
Peak:m/z	Relative Intensity
55.49450	1.0
57.03448	5.2
59.01385	100.0
60.01718	1.4
68.99809	3.2
69.03455	2.1
69.28730	4.4
69.29155	6.3
71.01384	9.6
72.99310	1.7
73.02955	18.6
85.02959	15.5
85.06592	3.1
87.04525	10.0
88.04061	3.4
114.81264	1.2
131.03537	6.3
131.07144	6.1
131.09158	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33384	1.4
54.41643	1.3
57.03439	2.3
57.04990	1.1
59.01390	3.1
62.25085	1.1
71.01393	33.8
71.53929	1.9
72.99314	4.8
86.03280	1.6
87.00896	11.7
87.04530	6.6
89.02460	2.2
103.70518	1.3
115.00391	11.7
132.86810	100.0
132.90036	6.6
133.05057	17.0
142.83971	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0145
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
55.68702	0.8
57.34209	0.8
59.01381	1.8
70.51257	1.8
70.51658	2.0
71.01389	83.5
72.01717	2.6
72.99317	19.8
87.00871	5.2
87.04487	1.0
89.02460	8.3
115.00385	100.0
116.00720	3.9
117.00021	0.9
133.01453	21.4
133.05051	3.4
134.19794	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63277	1.0
59.46249	1.0
69.68128	5.8
71.37337	1.0
73.02960	3.1
86.03302	1.8
87.04523	5.6
102.02802	1.2
130.02299	1.3
130.08759	100.0
131.03540	1.0
131.09102	3.0
149.41753	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.5
59.01383	1.0
65.65208	0.6
68.99829	0.8
69.03467	13.2
69.45323	4.2
71.01387	3.8
72.99330	0.9
73.02947	6.0
85.02961	5.8
85.06596	100.0
86.06931	3.1
87.04508	3.7
109.30663	0.6
113.02492	0.8
113.06113	2.9
127.17822	0.6
129.05573	1.6
131.03520	2.6
131.07147	36.8
132.07462	2.0
146.16725	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0716
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
57.03461	2.4
59.01103	0.7
59.01381	1.8
68.99846	1.3
69.03458	1.4
69.47684	5.0
71.01385	5.2
73.02951	8.5
75.00851	0.8
80.32485	0.6
83.05048	1.7
85.02959	7.8
85.06603	100.0
86.06950	3.1
87.04536	4.1
106.62912	0.7
107.61510	0.7
124.92752	0.7
131.03539	3.1
131.07162	38.5
132.07536	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	131.0716
Annotation	2-Hydroxyhexanoic acid
Peak:m/z	Relative Intensity
55.01865	0.9
57.03450	5.2
57.96632	0.6
59.01376	2.7
68.99820	1.8
69.03465	1.2
71.01389	9.7
72.99325	0.8
73.02954	15.4
75.00866	1.1
84.02180	2.0
85.02959	12.5
85.06601	100.0
86.06935	3.2
87.04530	6.3
87.08154	2.1
93.55488	0.6
95.05033	4.4
101.02392	0.7
111.04527	0.9
113.02479	0.8
113.06094	12.9
114.06512	1.0
129.05588	4.1
131.03517	4.7
131.05122	0.8
131.06241	1.4
131.07158	13.9
131.09120	1.9
132.07431	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.6
57.03461	4.2
67.01888	8.1
70.51429	6.3
70.82918	2.3
85.02958	100.0
92.43176	2.2
101.02451	45.6
101.07687	2.0
129.01955	34.5
130.02223	2.3
135.21819	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	129.0196
Annotation	Citraconic acid
Peak:m/z	Relative Intensity
57.03437	6.3
67.01890	3.1
69.68472	10.0
85.02965	100.0
86.03293	5.3
89.88335	1.8
101.02464	42.3
102.02829	2.0
128.89256	3.0
129.01968	28.8
146.36122	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48302	1.0
56.18414	0.9
57.03449	4.4
67.01922	1.3
71.27888	1.7
78.25025	0.9
79.73682	1.0
83.01400	1.7
85.02964	100.0
86.03303	2.9
101.02457	45.6
102.02795	1.7
129.01973	28.6
129.03740	1.2
130.02299	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.056
Annotation	2-Hydroxyethyl methacrylate
Peak:m/z	Relative Intensity
50.87351	7.1
53.20916	6.8
55.01882	10.9
57.03445	16.9
71.54555	10.2
71.54979	11.8
85.02960	100.0
101.02483	42.5
101.38892	8.2
128.90204	43.6
129.01938	31.1
129.05565	31.5
130.08755	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0497
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
51.67262	19.7
56.18504	15.4
57.55721	15.8
58.42954	16.5
59.23605	15.9
61.98834	39.4
62.27125	18.0
70.16632	61.0
70.71976	15.5
88.92065	15.7
101.92436	34.7
118.91895	33.3
118.92709	82.4
119.05046	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27299	4.8
61.98841	23.3
69.44292	36.0
91.86288	5.2
96.22800	5.2
101.92428	29.3
101.93016	5.2
112.60805	4.6
118.91828	25.5
118.92701	48.9
118.93465	4.8
118.94106	7.2
119.05039	100.0
129.77458	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	119.0498
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
61.98839	6.2
69.63477	9.6
69.63901	12.6
93.03473	5.7
98.19960	6.6
108.12433	3.5
118.92662	9.4
119.05048	100.0
120.05361	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	119.0505
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
55.68199	0.7
61.89466	0.8
69.17531	8.4
76.91426	0.7
91.05581	1.8
93.03473	5.1
101.04008	0.7
101.92428	0.8
117.03491	1.0
118.92684	1.1
119.05044	100.0
120.05360	6.4
120.64333	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0504
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
62.04040	1.5
62.50607	1.5
65.73376	1.5
76.19081	1.4
83.47293	1.5
91.05540	1.9
93.03476	2.9
98.19956	4.5
101.03986	44.4
101.92387	1.8
102.04337	3.0
117.03481	26.9
118.03773	2.6
118.92691	2.7
119.05038	100.0
120.05360	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	119.0496
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
50.73952	4.0
59.01381	5.2
61.98833	54.8
65.37134	4.5
67.05691	5.7
67.36312	6.6
67.36827	4.2
70.58299	10.2
101.92411	23.3
112.74888	5.2
118.92648	36.4
118.93461	6.2
118.94223	12.6
119.03500	4.2
119.05042	100.0
119.77618	4.3
120.05484	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	1187.267
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01381	5.3
93.03457	4.2
95.01347	1.8
96.96013	1.9
97.02967	2.7
107.05061	2.5
108.02150	1.6
109.02961	23.6
121.02946	6.3
123.00853	2.6
123.04538	11.8
125.02461	100.0
126.02769	4.0
131.05022	2.2
133.02962	4.9
135.04498	3.1
136.68968	1.5
137.02460	27.9
139.03990	7.5
147.04572	2.0
149.02486	10.1
151.04054	12.7
159.04485	3.8
161.02484	12.2
161.06068	3.8
163.00455	1.7
163.04005	4.1
164.01158	6.7
165.02002	9.9
167.03593	6.5
173.05977	1.7
175.04033	13.3
176.04611	1.2
177.01947	76.4
177.05470	2.4
178.02376	4.5
179.03554	7.5
187.04036	11.4
188.04802	3.2
189.05611	2.4
191.03557	3.1
193.05032	2.0
199.03972	2.2
201.05583	3.7
203.03511	2.4
203.07179	8.1
204.04205	1.6
205.01447	3.3
205.05144	6.9
211.03983	3.9
213.05569	2.9
214.02634	1.8
215.03532	3.6
217.05099	3.2
219.03030	1.3
219.06599	4.5
221.04463	3.0
225.94336	1.4
227.03468	3.4
227.07085	1.5
228.04266	2.1
229.05072	6.5
231.02898	1.6
233.08272	1.7
243.02939	9.7
245.04492	3.9
245.08246	7.9
253.04871	3.0
255.03006	22.0
256.03781	9.5
257.04541	3.8
261.03925	2.2
261.07642	1.8
269.04529	4.9
273.03995	5.0
281.04504	6.0
282.01730	2.0
283.02524	9.8
285.04065	6.2
287.05569	3.7
289.07208	30.7
297.04047	5.5
299.05374	1.8
303.05142	7.6
305.06677	25.5
320.83310	1.4
339.08755	5.7
389.06332	1.6
407.07727	71.4
408.07962	4.7
423.07245	35.0
424.07541	2.2
425.08810	90.7
426.09076	8.0
441.08398	15.4
467.09909	18.9
468.10538	1.6
488.24777	1.5
575.11951	3.7
593.13074	80.1
594.13428	8.4
966.38953	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0196
Annotation	Succinic acid
Peak:m/z	Relative Intensity
50.87123	0.4
55.01880	0.9
61.72968	0.4
68.37237	0.4
70.20322	0.4
70.72932	0.6
71.01413	0.5
72.14995	0.4
73.02955	100.0
74.03275	2.8
82.93044	0.4
84.56401	0.4
99.00895	9.1
99.92563	0.5
116.92888	2.1
117.01957	12.0
118.02270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.5
70.65025	0.7
73.02953	100.0
74.03281	3.1
85.56670	0.4
99.00889	8.0
99.92599	1.1
116.92868	3.1
117.01108	0.7
117.01952	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	1173.294
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01389	0.2
85.02954	0.3
91.05529	0.4
93.03471	1.1
95.01414	0.4
101.02444	0.3
107.01424	0.2
107.05006	0.2
109.02986	1.1
110.80873	0.1
117.03476	3.2
119.05049	0.6
121.02975	0.4
123.04494	0.2
125.02454	0.4
131.05038	0.2
132.02196	0.2
133.02971	3.7
133.06644	0.3
134.03726	0.6
135.04520	2.0
136.01607	0.2
137.02443	0.3
139.04082	0.2
147.04561	0.7
149.02481	1.0
149.06091	0.6
151.04048	0.4
159.04532	0.5
161.02443	1.8
161.06102	0.4
162.03177	0.3
163.04022	1.5
165.01953	0.3
165.05492	0.2
169.06627	0.2
173.02490	0.4
173.06087	0.3
174.03192	0.2
175.04045	2.0
177.01996	1.0
177.05571	1.5
179.03532	0.7
185.02498	0.2
185.06064	0.2
187.04021	0.6
189.01958	0.7
189.05621	0.6
191.01965	0.2
191.03511	1.6
193.05037	0.2
197.06082	0.5
199.04050	0.4
201.01909	0.6
201.05545	0.2
203.03511	1.8
204.04144	0.2
205.01385	0.3
205.05104	0.6
207.03055	0.2
209.06071	0.2
210.06882	0.2
211.04121	0.2
211.07770	0.3
213.05537	0.5
215.03523	0.5
217.01494	0.2
217.05075	0.8
217.06966	0.2
219.02985	0.3
221.04517	0.5
223.07600	0.3
224.08458	0.3
225.05576	0.4
225.09213	0.3
227.03516	0.6
227.07153	0.2
229.05138	0.3
231.03091	0.2
233.04541	0.9
235.02414	0.2
237.05583	0.5
238.06398	0.4
239.07056	0.4
240.04262	0.2
241.05121	0.5
241.08722	0.2
245.04526	0.7
250.06392	0.2
251.07243	0.4
253.05136	0.5
253.08749	0.6
255.02965	0.2
255.06654	0.2
257.04620	0.3
259.06204	0.2
263.06317	0.2
265.05005	0.3
266.05801	0.3
267.06604	1.0
268.03757	0.2
268.07364	0.6
269.04599	0.4
269.08173	0.2
271.02435	0.2
277.05173	0.3
278.05777	0.2
279.06589	0.2
281.04593	1.1
281.07809	0.3
282.05334	2.1
283.06137	2.9
284.03363	0.2
284.06796	0.3
285.04105	0.3
285.07712	0.2
293.04645	0.3
293.08139	0.3
294.05286	0.2
295.06137	3.5
296.06857	1.9
297.04120	1.8
297.07648	16.4
298.04828	3.9
298.08057	0.9
299.05624	2.0
307.06125	1.8
309.04019	0.7
309.07730	2.0
310.04855	0.6
311.05618	5.5
312.06400	4.1
313.03470	0.3
313.07144	4.5
314.04416	0.2
314.07620	0.2
319.06262	0.2
321.04202	0.4
321.07755	0.2
322.04764	0.3
323.05591	3.9
324.06357	1.1
325.07162	7.6
326.07635	0.5
327.05118	3.1
328.05878	2.4
330.03799	0.2
335.05606	1.5
337.03619	0.3
337.07227	2.2
338.04218	0.5
339.05090	5.8
339.08463	0.3
340.05612	0.4
341.06622	3.5
342.07074	0.3
344.05301	0.8
349.07449	0.3
351.05154	1.2
351.08923	0.2
353.06677	42.5
354.07040	3.0
355.08377	1.0
356.05353	0.9
357.06131	0.9
363.05023	0.3
365.02328	0.3
365.06680	4.2
367.04492	0.3
367.08344	0.4
369.06146	22.9
370.06500	1.7
371.07733	0.4
377.06644	0.3
379.08328	0.3
381.06110	3.0
381.56229	0.2
382.06674	0.3
383.07736	23.4
384.08038	1.8
392.77347	0.2
395.07715	3.3
396.08142	0.3
397.04999	0.3
397.09412	0.5
399.07233	21.2
400.07657	1.6
407.07751	0.4
409.09641	0.3
411.07233	3.0
413.08771	2.8
419.07715	0.3
423.07324	0.9
425.08829	1.6
429.08261	4.3
430.08807	0.4
435.07349	0.3
437.08749	0.6
441.08292	1.9
443.09888	0.2
453.08212	1.1
455.09622	1.1
459.09329	1.9
460.10181	0.2
468.47821	0.2
471.09491	1.4
473.10931	8.3
474.11630	0.8
483.09821	0.2
485.10977	0.5
489.10397	7.1
490.10837	0.6
501.10434	0.4
503.11996	2.6
515.11932	0.4
519.11475	1.2
533.13434	0.2
561.12335	0.8
575.14307	0.3
579.13574	70.1
580.13989	6.0
593.15125	100.0
594.15454	9.4
595.15546	0.3
676.21265	0.2
1161.66553	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1159.6234
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01406	1.3
91.01900	4.9
107.05111	0.7
110.00116	5.3
111.00928	1.0
115.05552	1.0
118.08642	0.6
119.05054	7.6
123.00894	2.2
133.06552	1.4
135.04544	0.7
137.02477	0.9
137.99609	7.7
139.47151	0.7
147.04492	0.8
149.02441	1.3
149.66460	0.8
151.00380	5.5
157.06587	1.6
163.00404	10.3
163.04024	9.1
177.05574	2.3
178.06401	7.3
178.99908	2.5
179.07036	0.8
188.04800	1.4
189.02014	1.2
189.05511	0.8
190.99898	2.3
191.03508	6.6
191.07173	4.7
201.05624	1.0
203.03712	0.7
203.07138	1.2
205.05078	3.8
206.05850	6.0
207.06409	0.7
215.03488	1.0
216.04216	1.2
219.02988	1.4
219.06621	13.6
220.06990	0.8
227.51990	0.7
233.04601	4.2
234.05350	36.1
235.05748	1.3
240.44426	0.8
243.06650	1.5
247.06052	3.8
255.06583	1.2
257.72220	0.7
276.06396	0.9
282.05148	0.8
285.07639	2.3
297.07852	3.3
297.11060	1.0
313.07309	1.8
325.07181	7.3
325.10916	2.1
340.13260	1.9
341.13965	1.7
349.10828	0.8
353.10428	5.7
367.12302	1.1
368.12671	85.9
369.12967	6.8
419.18619	1.4
425.07306	0.8
437.19730	100.0
438.20090	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	115.0403
Annotation	3-Oxopentanoic acid
Peak:m/z	Relative Intensity
59.01383	11.3
59.51688	6.8
70.00078	25.8
71.01388	24.5
71.05024	27.9
74.02482	16.8
80.74495	6.8
97.93138	11.5
114.93415	53.0
115.04029	38.8
115.05928	9.3
116.07196	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0766
Annotation	trans-1,2-Cyclohexanediol
Peak:m/z	Relative Intensity
50.49500	14.1
58.00596	12.8
61.61544	12.2
71.01378	29.1
71.05022	25.2
71.30301	18.8
73.02956	100.0
73.14841	12.3
74.02491	30.9
85.06597	46.4
87.71311	11.1
97.06593	21.0
97.93184	17.5
104.83911	13.2
113.06073	16.8
114.93407	30.9
115.07665	63.8
116.05055	57.4
116.07161	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0767
Annotation	Isocaproic acid
Peak:m/z	Relative Intensity
54.24279	1.7
59.01379	2.2
70.59267	3.9
71.01395	5.9
71.05023	3.8
79.21675	2.1
97.93169	9.6
113.68769	1.8
114.93415	21.5
115.07669	100.0
116.02561	5.5
116.07191	5.2
116.07946	3.5
130.65524	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1149.6372
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05866	0.2
83.01404	0.6
96.25498	0.2
96.96021	0.2
105.07107	0.5
106.04260	0.8
107.01382	0.8
107.05066	0.4
107.08664	0.3
108.02194	0.5
109.02973	0.2
109.06610	2.6
118.04220	0.2
119.05028	0.3
124.01620	0.3
129.07088	0.3
131.05016	0.2
131.08702	1.2
132.02179	0.3
132.05829	12.9
133.02965	0.4
133.06619	15.0
134.06944	0.6
136.01657	0.3
137.02448	0.8
138.03239	0.3
147.08188	0.5
148.01701	0.4
149.02443	0.2
149.06056	0.9
149.09752	0.4
149.99617	0.4
150.03271	0.3
151.00410	2.6
151.07661	5.2
157.06583	0.3
158.03725	0.3
161.02519	0.2
161.08493	0.3
161.09735	3.2
163.00359	0.5
164.01192	0.3
164.04813	10.8
165.05107	0.5
173.06071	0.2
175.07668	5.8
176.01164	4.9
176.07993	0.4
177.01944	1.4
187.11298	40.5
188.11629	2.6
189.09186	0.3
191.07164	1.2
193.08736	0.8
196.00186	0.2
199.03966	0.2
201.11273	1.5
209.11865	3.5
213.09242	0.7
217.26649	0.2
219.06636	42.8
220.06992	2.6
221.07179	0.3
222.01715	0.4
227.12883	0.5
233.08217	2.4
235.08218	0.5
237.07753	0.9
245.08191	2.6
246.08502	0.3
253.09348	0.7
255.10251	0.3
255.17566	1.0
271.02460	0.3
277.21756	5.5
278.22092	0.4
295.06146	0.2
363.19647	0.2
389.17847	0.3
393.23895	0.2
407.18655	100.0
408.18979	11.7
409.19302	1.4
507.45419	0.2
517.23291	0.2
521.36182	0.2
766.68829	0.2
1025.62793	0.2
1170.75293	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0039
Annotation	Formylpyruvate
Peak:m/z	Relative Intensity
59.01375	7.4
65.27885	2.2
66.48137	2.1
67.10464	2.3
69.96502	11.5
71.01390	100.0
72.04559	3.6
87.00895	6.7
97.10053	2.4
98.19956	4.3
114.04935	2.3
115.00389	14.5
116.07195	19.1
121.97121	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	1139.6142
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03465	0.2
83.01392	0.2
83.05021	0.3
85.02942	0.4
101.02436	0.3
113.02442	0.1
119.05067	0.1
121.02957	0.1
125.02428	0.2
132.02214	0.1
135.06503	0.1
149.02373	0.1
151.00365	0.3
161.04543	0.1
163.04057	0.3
191.02007	0.2
199.03981	0.1
211.03870	0.1
225.16055	0.3
226.16385	0.3
227.03503	0.3
251.05684	0.1
255.03006	50.0
256.03430	2.5
268.03824	0.8
269.04578	2.9
270.04819	0.2
281.04617	0.3
283.02499	34.4
284.03223	7.8
285.04016	1.9
297.04065	8.3
298.04831	12.4
299.05609	7.4
299.09180	0.1
300.05948	0.3
309.04202	0.1
313.03583	3.1
313.07248	0.2
314.03992	0.1
326.04184	0.1
327.05051	0.4
341.06674	0.5
446.08575	23.2
447.08899	1.4
451.33209	0.2
452.33102	0.2
453.33551	0.1
461.10913	100.0
462.11288	6.0
537.34033	0.1
677.49664	2.0
678.50012	2.7
679.50317	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.6581
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03473	1.5
106.04231	0.3
117.03519	0.4
119.05039	69.5
120.05383	1.8
121.02950	0.7
130.04268	2.4
143.05061	1.9
144.05829	0.4
145.02960	1.0
145.06604	2.1
149.02417	0.4
150.03250	0.3
152.99684	0.3
157.06613	0.9
158.07359	0.4
159.04584	1.6
159.08131	1.9
161.02498	0.9
162.03188	0.5
171.08179	0.5
173.06136	0.6
187.04010	2.4
188.17705	0.2
190.06416	0.6
194.02211	0.6
195.80115	0.3
201.05597	1.5
202.06384	0.8
227.14494	3.5
265.18149	0.3
267.06586	1.3
271.13403	18.0
272.13840	1.2
279.06711	0.4
285.15054	0.6
289.14474	13.5
290.14825	0.8
301.56134	0.2
347.20459	0.3
391.19186	100.0
392.19516	7.9
1088.90002	0.3
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	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
57.03452	2.5
57.86482	0.4
62.26995	0.4
66.53915	0.4
68.99581	100.0
69.99919	0.9
71.55505	0.7
83.01434	0.5
84.02184	0.7
85.02964	5.7
111.01171	0.4
112.98617	2.1
113.02472	2.3
113.06108	6.5
114.05656	2.7
132.43564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1137.7287
Annotation	Unknow
Peak:m/z	Relative Intensity
81.02998	0.2
81.03466	3.6
83.01398	4.0
83.05037	7.5
84.05372	0.1
85.02959	2.0
87.00868	0.3
89.02452	2.1
91.96210	0.1
92.03152	0.1
95.01385	0.8
96.95980	0.2
97.02944	0.3
99.00871	0.2
101.02454	13.2
102.02806	0.3
107.06163	0.2
108.04549	0.3
113.02462	5.8
115.03909	0.1
119.03516	1.6
119.23143	0.1
123.00912	0.1
125.02462	0.8
125.07229	0.7
126.05606	0.3
128.67053	0.1
131.03529	1.5
143.03531	1.5
143.08267	0.1
147.03000	0.2
149.04575	3.2
155.03477	0.5
159.21677	0.1
161.04570	5.7
162.04897	0.2
162.33519	0.1
184.04324	0.1
203.05627	0.4
207.15044	0.8
218.39154	0.1
221.06714	1.7
222.06815	0.1
224.17741	1.6
225.16107	10.5
226.16454	0.5
242.18788	0.5
250.15593	0.1
251.14159	0.1
309.21844	0.7
324.26538	0.3
333.22958	0.5
339.27612	0.2
341.29080	0.8
351.24182	0.1
367.27185	1.4
373.22296	0.3
385.28201	0.2
387.33368	0.1
415.23428	0.7
433.31921	1.2
450.34583	1.2
451.32925	7.8
452.33258	0.9
468.35446	0.2
476.32758	0.2
515.28705	0.2
533.40619	0.2
550.43610	1.2
551.43774	0.2
559.39746	0.5
565.44287	0.4
567.45270	0.2
593.44617	0.6
593.52448	0.1
600.18427	0.2
632.47552	0.2
659.48688	2.6
660.49030	0.4
677.49738	100.0
678.50079	16.9
679.50391	2.6
680.50592	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.5821
Annotation	Unknow
Peak:m/z	Relative Intensity
83.00924	0.4
83.01403	5.3
84.38063	0.2
88.52564	0.2
96.96009	1.2
98.19887	0.6
106.04266	1.3
107.01403	16.1
108.01708	0.3
108.99351	0.3
109.02920	0.3
109.83199	0.2
119.04990	0.3
121.03046	0.3
124.39752	0.2
125.02463	0.9
130.98987	0.2
132.05824	11.4
133.06165	0.3
138.03319	0.3
138.63341	0.2
140.89856	0.2
151.00388	45.8
152.00749	1.3
161.09732	4.7
164.04811	10.9
165.01936	2.0
165.05103	0.4
169.01454	2.4
177.00525	0.4
177.01968	5.8
187.11304	38.7
188.11661	1.5
197.11871	0.6
199.03975	0.3
209.11844	3.8
213.09254	0.7
227.12950	0.5
235.08139	0.4
253.09308	0.5
255.10175	0.2
267.02142	0.3
291.19736	0.6
295.13477	0.3
296.63712	0.3
309.20786	1.8
339.12393	100.0
340.12738	6.7
341.12927	0.6
405.16632	0.3
445.21078	0.4
600.29779	0.3
617.20258	0.3
1041.65625	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.6325
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95882	0.3
79.37500	0.3
81.40410	0.3
90.68466	0.3
93.03463	1.9
96.96012	0.5
106.04265	0.3
109.06621	0.5
116.92931	0.4
117.03456	0.4
119.05043	96.3
120.05377	2.7
121.92171	0.3
130.04225	0.5
143.05048	0.6
143.99438	0.3
145.02995	1.8
145.06609	0.9
149.02466	0.4
157.06610	1.0
159.04660	0.6
159.08183	1.0
161.02487	0.4
171.08180	0.8
173.06059	0.5
173.77107	0.4
183.08153	0.4
187.04050	0.8
201.05659	0.6
209.11852	1.0
212.11954	0.4
227.14474	3.7
255.17645	0.5
267.06454	0.5
271.13431	19.5
272.13770	0.9
274.85263	0.4
277.21848	0.5
279.06619	0.3
285.15137	0.8
289.14484	13.1
290.14752	0.5
349.17978	0.4
391.19189	100.0
392.19556	6.0
470.33276	0.4
592.26923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03478	1.3
83.01390	0.8
83.05010	0.2
85.02961	10.4
87.00895	3.3
89.02447	1.5
91.04002	0.4
93.03462	0.3
95.01407	2.4
96.96022	0.3
97.02962	0.3
99.00903	4.2
101.02456	0.3
101.06084	0.3
103.00375	0.9
108.02141	0.5
109.02966	0.4
111.00856	0.5
113.02469	12.8
115.00357	1.0
117.01948	0.9
119.05016	0.5
121.02976	0.4
123.04534	0.6
123.08164	0.4
125.02478	2.2
125.06115	1.4
129.01944	1.0
131.03539	0.4
136.05315	0.3
145.03001	0.7
147.04485	0.7
147.08192	0.3
148.05280	0.6
149.02486	0.4
149.06081	0.4
150.55426	0.2
151.00426	0.4
157.01378	0.3
158.03772	0.2
159.04497	0.3
163.04031	0.5
165.01938	0.2
165.09229	6.1
173.02434	0.6
174.03244	2.1
175.02489	1.1
175.03842	0.3
177.01874	0.3
187.04057	0.4
188.04816	0.3
189.05600	0.3
191.02007	0.9
191.07030	1.2
202.02689	1.0
205.06973	0.3
205.25465	0.3
207.08237	0.4
209.08211	20.2
210.08534	0.9
215.03511	0.3
217.05115	1.0
220.03781	0.5
221.06129	0.4
223.07684	0.6
229.05032	0.6
231.05127	0.7
233.06206	0.4
233.08249	0.5
234.06799	0.2
235.07668	0.8
235.10052	0.2
236.08278	0.4
237.05576	0.7
239.07126	0.9
249.06149	8.0
250.06430	1.3
251.07149	1.9
252.07878	0.4
261.05487	0.3
262.06354	1.0
263.07126	1.3
264.07892	1.3
265.05063	0.7
265.08636	0.6
266.05975	0.5
267.07153	19.5
268.07535	1.2
277.05136	1.1
277.08588	0.4
278.05966	0.8
278.09164	0.4
279.06631	4.2
279.10229	1.8
280.07443	1.7
281.07941	0.3
282.09073	2.0
283.09720	0.7
292.07578	0.4
293.04553	1.0
293.08212	0.7
294.05356	1.3
294.09003	2.0
295.06021	1.4
295.09274	0.3
297.11285	1.2
305.04578	0.8
306.05283	0.4
307.06097	0.8
308.07004	1.3
309.07639	2.3
310.08240	0.4
320.06674	0.5
321.07797	0.7
322.08414	1.2
323.05576	3.3
323.09268	4.0
324.06204	0.5
324.09576	0.3
326.08109	0.5
335.09286	0.5
338.08017	3.0
339.08746	1.4
341.10379	2.7
353.10349	11.5
354.10709	0.8
371.11197	0.9
376.58731	0.3
397.09277	0.5
401.12134	0.3
411.10614	0.3
412.11646	0.6
415.13962	0.5
427.13834	0.6
485.13235	1.7
486.56320	0.3
486.79239	0.3
491.35751	0.3
503.17819	10.3
504.18054	0.8
526.15430	0.3
571.14685	0.5
585.16150	0.8
588.15106	0.4
591.17261	11.5
592.17493	1.0
603.17230	14.6
604.17725	1.6
621.18311	100.0
622.18628	10.0
622.29260	0.3
1125.44897	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.6331
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05518	0.2
93.03464	1.3
106.04244	0.3
106.55701	0.1
107.05047	0.2
117.03508	0.2
117.32605	0.1
119.05039	70.6
120.05376	1.5
121.02993	0.3
122.03780	0.2
130.04274	2.0
133.03011	0.2
136.01668	0.1
138.03235	0.2
143.05035	1.7
144.05804	0.6
145.02983	0.8
145.06606	2.2
147.04599	0.2
149.02510	0.3
150.03244	0.4
157.06593	1.2
158.07362	0.4
159.04521	1.6
159.08157	1.8
160.05261	0.1
161.02420	0.7
161.06119	0.2
162.03249	0.2
170.07317	0.2
171.08165	0.4
173.06070	0.7
174.06876	0.4
175.03996	0.2
183.08104	0.2
185.06097	0.3
187.04010	2.0
188.04544	0.2
190.06371	0.8
194.02103	0.3
201.05576	1.5
202.06314	0.6
209.11865	0.5
215.67720	0.2
225.05600	0.1
225.12866	0.2
227.14441	3.3
248.06891	0.2
267.06592	1.3
268.07309	0.2
271.13416	19.6
272.13736	1.0
273.31210	0.1
277.21722	0.9
279.06567	0.6
285.15002	0.4
289.14481	14.1
290.14801	0.8
307.09637	0.3
347.20490	0.2
349.18146	0.3
391.19177	100.0
392.19525	6.0
392.24695	0.3
838.83270	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0089
Annotation	2-Furoate
Peak:m/z	Relative Intensity
51.34426	0.3
51.53449	0.3
55.01880	1.6
56.60427	0.3
61.11755	0.3
67.01897	11.7
68.02231	0.5
69.72888	0.7
69.73305	1.3
71.01347	0.5
78.95911	100.0
83.01398	3.8
86.58466	0.3
98.20672	0.5
110.97759	0.4
110.98547	2.1
111.00892	12.5
111.04551	0.3
112.01266	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00878	3.2
76.02074	0.3
77.03977	0.6
79.01923	0.5
81.03432	0.3
83.01393	0.8
85.02966	4.2
87.00890	1.2
89.02466	1.2
93.03482	1.2
95.01398	1.1
97.02956	0.5
98.20039	0.5
99.00900	2.7
103.00326	0.4
105.03470	0.7
107.01402	0.5
109.02981	2.2
111.00912	0.7
113.02465	4.8
115.00350	0.4
117.01914	0.7
117.03531	0.5
119.05035	0.9
121.02959	2.1
122.03798	1.7
123.00945	0.3
123.04528	0.9
125.02433	0.8
125.51614	0.3
129.01965	0.8
132.02217	0.7
133.02969	12.5
134.03767	9.6
135.00885	0.4
135.04547	2.7
136.01707	0.4
137.02473	1.0
145.02965	0.4
146.03702	0.3
147.04546	1.3
148.05333	0.5
149.02457	4.0
149.06139	1.9
150.03250	11.2
151.00436	0.6
151.04047	3.2
160.01709	1.7
161.02455	2.7
163.00406	1.8
163.04036	3.2
164.04875	0.4
165.01958	2.1
165.04176	0.6
165.05576	10.0
173.02467	0.4
175.02567	0.7
175.04004	6.3
177.01962	1.2
178.02740	1.0
179.03487	1.0
179.07310	0.5
180.04250	1.0
181.05095	1.2
191.03500	2.2
193.01422	1.8
193.05066	8.7
195.06644	1.7
199.04054	1.3
200.97583	0.3
201.01904	1.7
203.03438	0.7
211.04045	0.6
211.07495	0.6
212.04909	0.4
213.05569	1.2
215.03531	0.6
218.76506	0.3
225.05455	0.6
225.91002	0.3
227.03596	0.6
229.01556	0.6
229.05124	0.3
231.04977	0.4
231.06905	0.3
237.05594	0.5
240.04286	1.2
241.05132	0.8
243.02979	0.6
246.18808	0.3
249.06169	6.7
250.06427	0.3
252.06490	0.8
253.05067	1.4
254.05650	0.3
255.02931	0.8
255.06734	0.7
256.03708	0.4
257.04639	0.7
267.06821	2.3
269.04630	1.0
271.06012	0.4
281.04602	0.6
284.03299	10.4
285.04028	7.4
286.04416	0.5
297.04089	16.2
298.04813	9.4
299.05624	19.0
300.05887	0.9
309.04083	0.8
311.05704	2.7
324.02707	0.4
325.03506	0.9
327.05121	92.4
328.05481	5.1
339.05130	3.5
341.06662	1.2
341.10291	0.4
351.05060	0.5
353.06186	0.3
357.06201	22.9
358.06573	1.0
369.06134	2.9
381.12009	0.8
393.06259	0.8
425.10632	0.4
429.08829	0.4
441.10617	0.4
442.11176	2.2
443.11819	1.8
447.09366	66.0
448.09784	4.6
457.13568	0.6
534.26263	0.4
563.14447	0.5
621.18115	1.1
639.19330	100.0
640.19684	9.5
850.11743	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.6145
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95904	1.5
81.34128	0.6
110.98532	2.4
119.05025	5.8
133.06621	1.5
174.83105	0.7
177.01889	0.7
185.02197	5.3
188.52580	0.6
189.01929	1.6
199.07747	0.8
201.01913	1.0
201.05612	1.7
204.07976	0.8
217.04936	0.8
218.05829	0.6
219.13887	1.2
229.05103	1.3
229.08588	1.4
231.06671	1.2
243.06528	3.0
243.14006	1.3
244.07228	0.8
253.21754	1.7
257.08231	2.2
271.13641	0.9
287.12939	4.4
313.14395	1.2
318.88443	0.7
323.09283	1.3
332.12253	0.8
351.12527	0.8
363.12408	2.8
377.21085	0.7
379.19049	1.9
421.20227	100.0
422.20490	7.0
439.59723	0.7
641.27924	0.8
853.47229	0.7
901.41437	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0505
Annotation	o-Cresol
Peak:m/z	Relative Intensity
50.91705	1.0
52.05384	1.1
54.37633	1.0
56.42865	0.9
63.84218	1.2
65.01457	3.9
65.54506	0.9
66.03501	1.6
67.10714	1.0
71.53889	1.7
95.05016	1.7
95.10735	0.9
106.04271	4.6
107.03821	5.2
107.05046	100.0
108.02180	10.0
108.04578	29.1
108.05367	5.4
123.04557	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	1083.554
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05040	1.5
84.05603	0.1
86.78058	0.1
91.01907	0.1
91.05555	0.2
93.03467	1.4
98.19903	0.2
105.03446	0.2
106.04254	0.7
107.05047	1.1
108.02187	0.4
109.02975	0.4
117.03475	0.5
119.05042	63.5
120.05375	1.7
120.46327	0.1
120.95828	0.1
121.02972	0.7
122.03744	0.6
123.00877	0.1
123.08184	0.2
130.04279	0.6
133.02962	0.3
134.35266	0.1
135.04503	0.1
136.01686	0.9
138.03279	0.1
142.22781	0.1
143.05055	1.1
144.05798	0.5
145.02954	1.9
145.06583	1.2
145.10283	0.1
147.08168	0.9
148.01685	0.2
149.02464	0.5
152.01161	0.4
153.01996	0.1
157.06625	0.7
158.07422	0.2
159.04518	0.3
159.08186	1.3
161.02458	2.2
162.03203	1.0
163.04021	0.1
166.02675	0.2
169.06560	0.1
171.08154	0.4
173.06139	0.1
173.09720	1.6
175.04044	0.3
175.07722	0.2
176.92940	0.1
183.08186	0.1
187.03989	0.6
187.07661	0.2
188.04779	0.3
188.08395	0.2
189.05571	0.2
194.02219	0.9
199.07724	0.2
201.05563	0.3
203.07129	0.5
206.70657	0.1
215.07182	0.3
216.08015	0.6
217.08714	1.0
225.12834	0.3
237.05588	0.1
239.07056	0.2
240.75053	0.1
241.12469	0.1
243.13910	3.6
243.16403	0.2
245.15486	0.3
253.05095	0.1
255.06468	0.1
261.14920	0.1
267.06616	0.9
268.07397	1.0
269.11853	0.8
270.12643	0.1
279.06619	0.5
287.12921	28.7
288.13223	1.4
301.14554	0.4
305.13977	2.2
306.14423	0.1
307.09854	0.1
327.64615	0.1
348.63303	0.1
363.19687	0.2
365.17572	0.4
379.19247	0.8
407.18658	100.0
408.19009	8.0
408.23325	0.1
409.84692	0.1
733.62830	0.1
1050.99561	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	1061.5709
Annotation	Unknow
Peak:m/z	Relative Intensity
83.00922	0.4
83.01398	5.4
89.02467	0.2
107.01406	14.0
107.05136	0.2
108.01741	0.2
112.02341	0.2
125.02440	0.7
145.06644	0.2
151.00388	41.3
152.00745	0.7
165.01991	1.1
169.01451	2.3
174.10512	0.2
177.01961	4.1
200.12088	4.3
206.09467	0.6
207.16541	0.2
229.15970	3.7
232.11070	9.1
233.11485	0.3
255.17572	39.9
256.17886	1.9
257.15454	0.3
281.15451	0.5
295.06229	0.2
338.11484	0.4
389.17593	0.3
397.13449	0.8
407.18674	100.0
408.19040	6.6
734.16913	0.2
752.61243	0.2
789.38153	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.5287
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00881	6.3
81.03475	0.5
83.01399	2.6
85.02960	9.7
86.00110	1.1
87.00077	0.2
87.00887	5.7
87.04520	1.4
89.02460	2.8
95.01395	2.3
96.96029	1.5
97.02966	6.1
98.19886	0.3
99.00892	8.2
99.04511	0.4
101.02457	6.1
103.04020	1.0
107.01468	0.2
111.00884	0.3
112.01661	0.3
113.02464	6.4
115.00373	0.4
115.04046	1.5
119.03498	0.8
121.02954	0.2
123.00896	0.2
125.02465	10.2
126.02782	0.2
127.04012	0.2
129.01991	0.2
131.03526	3.2
131.78065	0.1
139.00368	0.5
143.03517	3.6
145.05051	0.5
157.01450	0.7
161.04568	0.5
163.06172	1.2
205.07185	2.0
218.15965	0.1
228.06729	0.1
247.08209	0.6
453.33841	0.3
455.35303	0.7
569.38623	0.5
579.36603	0.4
649.41241	0.9
721.39417	0.5
731.43988	0.6
739.40820	0.6
877.50000	0.6
919.48578	0.2
939.50171	1.4
940.49530	0.2
965.51355	0.2
1047.51868	3.1
1048.52405	0.6
1065.52783	100.0
1066.53210	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	1060.5274
Annotation	Unknow
Peak:m/z	Relative Intensity
73.41770	0.4
74.02499	0.4
79.21151	0.4
82.02986	2.3
84.04559	0.7
85.03578	0.9
85.04082	17.8
86.02496	0.9
86.99117	0.5
87.05649	5.0
88.04044	3.3
96.96037	0.8
102.00224	2.9
105.12189	0.4
107.06168	0.5
109.04050	1.3
111.02023	0.9
119.02059	0.5
119.02882	1.4
121.04034	0.6
125.02448	1.6
127.05145	5.3
127.08820	0.7
128.03551	40.8
129.03831	0.5
135.05644	3.2
139.04066	0.5
145.06212	1.3
151.00410	0.4
152.08293	3.5
153.06726	2.0
155.94742	0.5
157.06200	27.6
159.07747	1.7
166.06195	2.3
171.07726	1.7
174.02309	7.7
178.06198	2.0
179.04649	4.4
184.04892	1.1
184.07259	1.5
185.05736	0.5
189.93533	0.4
191.04979	2.2
196.07304	6.6
214.08301	1.3
224.10353	0.8
231.04239	0.5
242.11279	0.7
245.08682	0.5
248.07178	0.9
268.09366	3.9
277.21622	0.6
286.10443	13.8
287.22281	0.6
302.08087	2.5
318.07574	2.3
320.09222	100.0
321.09515	2.2
346.10782	5.3
397.25397	0.5
649.44818	0.5
701.28009	0.5
1014.52972	0.7
1060.53638	2.4
1061.54236	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.5698
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01398	5.3
93.03506	0.2
96.96014	0.1
101.02554	0.1
107.01405	14.2
109.02932	0.2
109.36596	0.2
125.02466	0.6
137.02516	0.2
145.06564	0.2
151.00385	43.9
152.00748	0.7
165.01962	1.3
169.01465	2.7
174.10519	0.3
177.01959	3.6
179.93652	0.2
196.05537	0.2
200.12070	4.3
200.13847	0.3
206.09468	0.5
229.15993	3.3
232.11064	8.6
233.11340	0.2
236.88338	0.2
255.17567	40.0
256.17938	1.8
257.15405	0.4
281.15408	0.5
295.06134	0.2
323.16437	0.3
338.11505	0.3
387.66534	0.2
390.22101	0.2
397.13577	0.6
407.18661	100.0
408.18982	6.6
615.91681	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	106.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12563	0.7
57.62202	0.7
64.00645	0.8
64.01931	18.9
64.79240	0.7
65.01458	32.7
65.02216	0.9
70.28439	1.4
76.65142	0.6
79.50810	0.7
85.34818	0.7
106.04124	100.0
107.02528	0.8
107.03665	9.6
107.04468	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	1060.5274
Annotation	Unknow
Peak:m/z	Relative Intensity
73.41770	0.4
74.02499	0.4
79.21151	0.4
82.02986	2.3
84.04559	0.7
85.03578	0.9
85.04082	17.8
86.02496	0.9
86.99117	0.5
87.05649	5.0
88.04044	3.3
96.96037	0.8
102.00224	2.9
105.12189	0.4
107.06168	0.5
109.04050	1.3
111.02023	0.9
119.02059	0.5
119.02882	1.4
121.04034	0.6
125.02448	1.6
127.05145	5.3
127.08820	0.7
128.03551	40.8
129.03831	0.5
135.05644	3.2
139.04066	0.5
145.06212	1.3
151.00410	0.4
152.08293	3.5
153.06726	2.0
155.94742	0.5
157.06200	27.6
159.07747	1.7
166.06195	2.3
171.07726	1.7
174.02309	7.7
178.06198	2.0
179.04649	4.4
184.04892	1.1
184.07259	1.5
185.05736	0.5
189.93533	0.4
191.04979	2.2
196.07304	6.6
214.08301	1.3
224.10353	0.8
231.04239	0.5
242.11279	0.7
245.08682	0.5
248.07178	0.9
268.09366	3.9
277.21622	0.6
286.10443	13.8
287.22281	0.6
302.08087	2.5
318.07574	2.3
320.09222	100.0
321.09515	2.2
346.10782	5.3
397.25397	0.5
649.44818	0.5
701.28009	0.5
1014.52972	0.7
1060.53638	2.4
1061.54236	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1053.383
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02953	22.4
74.94672	0.5
77.03972	1.3
83.01399	7.4
84.98425	0.5
85.02959	15.3
87.00892	2.2
89.02458	26.3
91.89600	0.6
93.03455	0.7
95.01401	5.4
97.02962	0.8
99.00892	1.3
101.02454	29.5
104.97168	0.5
113.02463	32.0
117.03479	4.5
119.03513	10.2
121.02958	1.7
123.04511	0.6
125.02469	2.0
131.03539	3.1
135.04579	1.0
143.03534	4.2
143.34912	0.5
149.02477	1.1
149.04529	3.0
155.03625	0.7
159.04561	0.9
161.02544	2.8
161.04578	9.1
163.00391	0.6
163.04022	1.7
179.05638	9.9
188.73904	0.6
203.03645	0.6
215.07173	1.0
221.06609	1.0
239.07286	0.8
268.03674	1.1
281.04486	1.3
282.05399	0.9
283.06143	25.4
284.06537	1.4
291.66647	0.6
293.04642	1.3
295.06100	0.8
311.05627	32.1
312.06064	2.0
323.05667	2.0
341.06757	2.3
355.21350	1.3
431.09848	22.7
432.10196	1.4
517.26569	100.0
518.26941	6.1
535.27637	53.2
535.36163	1.2
535.97748	0.6
536.27899	4.4
577.28680	77.8
578.29114	7.0
609.14905	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05560	0.2
89.03979	0.3
91.05537	0.2
93.03468	0.3
96.96075	0.2
98.43729	0.1
106.04279	0.7
107.05044	1.1
108.02196	0.3
109.02978	0.2
117.03506	0.3
119.05034	0.6
121.02956	0.5
122.03732	0.2
125.02476	0.3
130.04269	3.2
132.05862	0.1
133.02983	0.5
134.03761	4.5
135.04541	100.0
136.01610	0.1
136.04854	2.3
137.02495	0.5
138.03238	0.3
143.05057	1.5
144.05835	0.8
145.02913	0.2
145.06610	2.5
149.02437	0.4
150.03232	0.6
151.00380	0.3
157.06609	1.8
158.07417	0.5
159.04536	0.5
159.08188	2.1
160.05305	0.2
161.02477	2.0
161.06105	0.4
162.03249	0.5
164.04817	0.1
165.01947	0.2
168.19801	0.1
169.06584	0.1
170.07405	0.2
171.08047	0.7
172.08932	0.2
173.06046	0.3
182.02173	0.1
183.08241	0.1
187.04057	1.2
187.11261	0.2
190.06441	0.3
197.09612	0.1
201.05603	0.6
202.06367	0.3
211.11343	0.2
219.06631	0.2
227.14441	1.9
245.15347	0.2
255.17607	0.2
270.05469	0.2
271.13419	15.7
272.13751	0.8
279.06601	0.1
283.06177	0.2
285.14963	0.1
289.14484	18.1
290.14923	0.8
297.11578	0.1
303.05115	0.4
304.05472	0.2
315.25385	0.4
320.10712	0.2
337.14520	0.5
338.14948	0.3
389.17581	1.4
405.17035	0.4
407.18658	93.0
408.18997	6.3
414.03271	0.1
415.46661	0.1
555.19354	0.2
610.25708	0.1
641.22534	0.3
677.35413	0.1
1049.41711	0.8
1050.43225	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1044.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
73.04089	0.4
75.45451	0.2
78.10760	0.2
82.02990	1.7
83.06164	0.2
83.94866	0.2
84.04557	0.2
85.04082	14.9
86.02510	0.7
87.05642	4.2
88.04047	2.9
96.96027	0.5
97.04063	0.2
102.00192	2.9
107.06137	0.3
109.04115	1.0
111.02052	0.6
113.03594	0.8
119.02863	1.3
125.02473	0.4
127.05152	4.7
128.03554	33.8
129.03888	0.3
135.05650	2.8
144.01305	0.2
145.06213	0.9
150.06737	0.4
151.05110	0.2
152.08318	2.3
153.06702	1.9
157.06195	21.2
158.06535	0.3
159.07727	1.4
166.06233	2.1
167.04671	0.3
170.09340	0.3
174.02312	6.9
177.01949	0.4
178.06223	1.8
179.04648	3.4
184.04942	0.9
184.07271	1.3
185.05606	0.5
191.04965	2.1
196.07288	6.0
197.05806	0.9
197.07329	0.2
199.07291	0.2
209.11877	0.3
212.05006	0.3
214.08379	0.7
223.16006	0.3
224.10379	1.1
231.04468	0.3
242.11488	0.7
248.07036	0.5
256.09311	0.3
268.09375	3.0
277.21811	0.2
286.07190	0.3
286.07971	0.2
286.10455	8.7
302.08176	2.4
320.09219	100.0
321.09540	3.4
346.73932	0.2
593.55219	0.2
729.46777	0.2
1044.52783	2.0
1045.51624	0.3
1063.51257	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01409	0.2
83.33614	0.2
96.65037	0.2
96.96033	0.3
105.07120	0.4
106.04258	0.5
107.05021	0.5
108.02174	0.4
109.02959	0.2
109.06603	2.4
121.02914	0.2
125.02493	0.3
129.07108	0.6
131.08676	1.3
132.02185	0.2
132.05827	11.2
133.03024	0.3
133.06619	12.7
134.03723	0.2
134.06989	0.3
135.04568	1.6
136.01656	0.3
137.02477	1.0
147.08188	0.8
148.01692	0.5
149.02473	0.2
149.06097	0.9
149.09697	0.2
149.99619	0.3
150.03201	0.2
151.07668	5.2
160.05284	0.2
161.09737	2.7
164.04817	9.6
165.05099	0.2
173.06152	0.2
175.07675	5.9
176.01176	4.4
176.02757	0.2
176.07947	0.2
177.01889	0.7
187.11301	33.7
188.11638	1.2
189.01945	0.2
189.09244	0.2
190.02774	0.2
191.07173	1.8
193.08737	0.6
205.97098	0.2
213.09244	0.7
217.04967	0.3
219.06639	34.6
220.07048	1.2
222.01752	0.4
228.62662	0.2
233.08250	2.2
237.07660	0.7
245.08203	2.1
271.13342	0.2
280.13983	0.2
285.04065	0.2
289.14478	0.3
295.06284	0.2
303.05301	0.2
363.19711	0.2
407.18661	100.0
408.18942	7.3
481.15176	0.4
555.18945	1.2
556.19525	0.2
572.15448	0.4
641.22894	1.2
1049.41833	4.1
1050.42651	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1044.533
Annotation	Unknow
Peak:m/z	Relative Intensity
73.04076	0.4
77.19307	0.2
82.02993	2.0
84.04556	0.4
85.04084	13.7
86.02480	0.5
87.05644	3.9
88.04060	2.7
96.96001	0.5
97.04076	0.4
101.07217	0.2
102.00198	2.4
107.06135	0.3
109.04111	1.0
111.02018	0.6
113.03583	0.8
119.02856	1.4
123.05655	0.3
125.02433	0.4
127.05155	3.9
128.03555	32.1
129.03880	0.6
135.05663	2.6
139.05135	0.3
145.06212	1.0
151.05157	0.2
152.08325	2.9
153.06682	1.8
157.06198	20.7
158.06439	0.2
159.07794	1.4
166.06233	1.5
167.04630	0.3
170.09415	0.3
171.84610	0.2
174.02318	6.7
177.02005	0.3
178.06210	1.5
179.04651	4.0
184.04831	1.0
184.07263	0.9
185.05647	0.4
191.04948	1.7
196.07303	5.3
197.05673	0.8
197.07317	0.2
212.05055	0.4
214.08395	0.8
224.10347	0.7
231.04433	0.2
242.11449	0.7
248.07126	0.6
256.09473	0.3
268.09406	2.9
277.21545	0.3
286.10483	8.1
302.08173	3.1
318.07794	0.3
320.09225	100.0
321.09537	4.1
327.97144	0.2
600.48163	0.2
652.06409	0.2
1044.53333	2.8
1045.52856	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1042.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
73.04073	0.3
77.56218	0.2
80.67599	0.2
81.04575	0.3
82.02994	2.3
82.03446	0.3
83.06152	0.2
84.04552	0.4
85.03022	0.4
85.04082	16.7
86.02501	0.8
86.99110	0.3
87.00848	0.2
87.05649	4.9
87.06163	0.3
88.04054	3.0
96.96029	0.7
97.04102	0.5
98.20652	0.4
101.02476	0.2
102.00208	2.5
107.06148	0.3
109.03459	0.2
109.04089	1.3
111.02011	0.7
112.02792	0.2
112.04012	0.2
113.03596	1.2
114.01984	0.3
117.01315	0.2
119.02860	1.5
121.04119	0.3
123.05615	0.2
125.02457	0.5
125.03474	0.2
127.05154	4.4
127.08810	0.4
128.03558	38.3
129.03897	0.4
130.03247	0.2
135.05656	2.8
139.05185	0.3
141.06703	0.3
145.06204	1.0
150.03166	0.4
150.06754	0.4
152.08311	3.2
153.06731	1.7
157.06203	25.0
158.06519	0.5
159.07774	1.7
166.06245	2.1
167.04636	0.3
169.06055	0.2
170.09344	0.3
171.07773	2.0
174.02306	7.2
177.01961	0.3
178.06248	1.8
179.04636	4.1
184.04965	1.1
184.07336	1.2
185.05818	0.4
191.04980	2.1
195.06671	0.2
196.07281	6.1
197.05696	0.9
197.07449	0.3
209.11821	0.8
212.04962	0.4
213.08803	0.5
214.08354	0.8
224.10381	1.0
231.04475	0.2
242.11627	0.9
248.07115	0.9
268.09436	3.6
286.10471	10.8
287.10803	0.3
302.08170	2.9
318.07684	1.0
319.10345	0.3
320.09229	100.0
321.09528	4.0
328.09933	0.3
346.10812	6.1
347.11237	0.2
460.70865	0.2
595.67102	0.2
689.34387	0.4
1010.43945	0.8
1024.46167	0.3
1042.46667	3.1
1043.44531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.5681
Annotation	Unknow
Peak:m/z	Relative Intensity
77.85173	1.8
89.02442	4.1
97.02968	1.7
97.06637	2.5
101.02449	4.1
102.34229	1.6
113.02437	2.0
116.92970	1.8
119.03500	3.0
119.05033	4.8
122.68857	1.7
125.02440	2.6
125.68559	1.6
135.48067	1.7
142.37431	1.5
153.36734	2.0
161.04550	2.6
169.41493	1.7
171.10287	2.5
179.05606	6.1
183.01218	2.1
193.12399	2.8
210.58533	1.6
214.68721	1.5
225.14934	4.8
235.08269	3.3
243.15985	2.6
277.21753	14.0
277.53467	1.7
311.16718	2.9
319.71143	2.3
341.23343	100.0
342.23587	4.4
391.19095	4.8
396.05548	1.8
397.13559	24.9
415.14587	10.9
601.44653	2.6
675.36420	4.2
721.36639	8.8
739.37634	10.2
999.58624	6.4
1035.56665	48.4
1036.57043	8.5
1071.56067	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	1041.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
73.50609	0.5
77.74032	0.5
85.02959	4.9
92.80659	0.6
93.03466	1.0
109.02975	1.4
113.02453	0.6
117.03476	5.5
119.05018	1.2
121.02956	1.3
125.02469	2.7
128.06703	0.5
133.02969	6.3
135.04538	2.3
137.02492	1.2
145.02971	0.7
147.03009	0.8
147.04552	1.5
149.02448	1.7
151.04063	1.1
159.04514	1.1
161.02492	3.4
163.00386	1.0
163.04019	2.4
164.01132	1.1
165.01877	1.4
167.03603	0.7
175.04018	3.3
177.01955	4.4
177.05565	1.2
179.03491	1.2
185.02435	0.9
187.03978	0.6
189.01924	2.2
191.01944	3.8
191.03569	1.8
193.01474	0.8
199.04048	1.2
201.01935	1.7
203.03525	2.0
205.01424	0.8
207.02988	1.2
213.05516	0.9
215.03419	1.1
219.02954	1.0
227.03624	0.7
231.02957	1.7
233.04565	0.7
239.07277	1.1
241.96938	0.6
243.02939	1.0
251.07208	0.8
253.04961	1.0
255.02998	1.1
256.03882	0.6
267.06589	1.2
268.57550	0.6
269.04556	1.0
275.05383	0.8
281.04642	1.9
282.05426	1.2
283.06168	7.6
284.03488	3.0
284.06024	0.8
285.04056	3.1
293.04633	1.7
294.05359	0.8
295.06137	8.1
296.06842	2.4
297.04080	6.3
297.07706	8.1
298.04770	6.1
298.07944	0.9
299.05545	7.2
300.87256	0.5
307.06113	3.5
308.03101	0.6
309.04321	1.3
309.07635	2.5
311.05597	12.2
312.06345	4.9
313.07010	2.5
314.04245	0.7
321.04037	0.7
321.07599	0.7
322.04773	1.0
323.05618	9.2
323.09299	0.7
324.06277	1.6
325.03607	0.9
325.07129	5.2
327.05099	30.1
328.05655	5.6
329.05945	0.6
335.05658	1.5
337.07227	4.1
339.01196	0.4
339.05151	9.5
340.05505	2.2
341.06522	3.8
349.07068	1.3
351.05142	10.5
352.05487	0.9
353.06686	23.8
354.06943	1.6
355.08563	0.7
356.05331	2.2
357.06177	8.0
358.06662	0.9
363.04831	3.1
365.06622	2.8
367.04395	1.0
367.08524	0.8
369.06155	19.1
370.06500	2.5
371.07352	0.6
381.06085	5.1
383.07773	11.2
385.05438	0.8
387.06149	0.8
393.06018	1.3
395.07867	0.9
399.07187	9.7
400.07547	1.1
407.06717	0.6
409.09299	1.3
411.07202	1.6
413.08807	2.2
419.07507	0.8
429.08154	2.4
437.08545	2.6
441.07947	0.7
443.09808	1.3
447.09329	23.6
448.09549	2.6
455.09946	3.1
459.09402	3.4
467.09915	1.0
471.09424	7.2
472.10046	1.7
473.10913	10.4
476.09689	0.8
483.09375	2.4
485.10690	0.8
489.10303	6.5
490.10654	1.1
501.10468	0.9
503.12134	2.7
505.09753	3.5
506.10440	3.6
507.10501	2.5
519.11304	0.9
557.13037	5.3
574.12817	1.3
575.14093	80.9
576.14410	7.6
591.13556	3.6
592.13751	3.7
593.15125	100.0
594.15424	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	1026.472
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	3.0
73.04084	0.3
81.04598	0.3
82.02988	2.5
83.43741	0.1
84.04598	0.2
85.03019	0.3
85.04085	16.7
86.02505	0.6
86.04457	0.2
87.00929	0.2
87.05647	4.6
88.04050	3.2
92.89578	0.2
96.96025	0.8
97.02948	0.2
97.04095	0.6
101.02467	0.2
102.00201	3.1
107.06109	0.3
109.04091	1.2
109.07728	0.2
111.02026	0.6
113.03568	0.9
119.02873	1.3
121.04126	0.3
123.05656	0.5
125.02460	0.7
125.03520	0.2
127.05154	4.9
128.03557	36.6
129.03918	0.5
135.05664	2.6
139.05194	0.4
145.06192	1.1
150.06747	0.3
151.05147	0.3
152.08301	3.0
153.06703	2.0
157.06204	23.2
158.06598	0.4
159.07780	1.7
165.01871	0.2
166.06203	2.2
167.04663	0.3
170.09290	0.4
174.02315	7.6
177.01952	0.3
178.06259	2.0
179.04651	4.2
184.04913	1.2
184.07280	1.1
185.05710	0.4
191.05003	2.3
193.01439	0.8
196.07292	6.3
197.05678	0.6
209.11844	0.6
211.02478	0.7
212.04987	0.4
213.03218	0.2
214.08400	0.9
224.10422	1.0
242.11473	0.7
248.07086	1.1
256.09421	0.4
268.09427	3.0
286.10483	8.5
287.10876	0.5
302.08145	3.0
314.69238	0.2
317.34750	0.2
318.07535	0.3
320.09229	100.0
321.09525	4.0
331.06653	0.2
734.91278	0.2
932.44769	0.4
964.46625	0.3
994.43933	0.7
1008.46063	0.4
1016.90204	0.2
1026.47498	3.0
1027.47351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
71.54456	0.5
79.95732	0.3
85.73347	0.2
93.03469	1.9
96.96003	1.9
98.95559	0.4
106.04245	0.5
110.75007	0.3
112.34176	0.3
117.03458	0.5
119.05039	91.7
120.05360	2.1
121.02960	0.4
122.03775	0.5
130.04259	4.2
137.29034	0.3
142.90359	0.3
143.05035	2.1
144.05826	1.1
145.02953	0.6
145.06596	3.2
149.02571	0.4
150.03275	0.3
157.06586	2.3
158.07379	0.5
159.04501	0.7
159.08157	3.1
161.02478	1.0
162.03238	0.9
171.08145	0.7
173.06079	0.6
177.33800	0.3
187.03970	1.5
190.06342	0.5
201.05612	1.2
202.06354	0.7
227.14407	2.6
259.99551	0.3
264.05167	0.3
267.06546	0.6
271.13422	19.1
272.13821	0.8
289.14493	16.6
290.14832	1.0
290.18277	0.2
391.19174	100.0
392.19482	8.0
555.18817	0.5
592.27069	0.4
641.22150	0.6
937.46283	0.3
1033.42566	1.1
1034.42188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.5697
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	31.7
71.54275	4.2
73.02963	2.8
81.03458	4.6
83.01407	4.4
85.02961	5.2
87.00890	11.2
89.02457	21.6
95.01390	4.8
97.02974	7.2
97.06647	3.5
101.02461	23.0
109.01128	2.4
113.02473	17.6
119.03551	5.3
123.04585	2.9
125.02459	13.3
142.14351	2.5
143.03558	3.0
161.04539	5.4
163.11284	5.9
179.05673	8.9
185.11876	8.5
191.14406	6.9
203.91248	2.5
207.10269	3.7
209.11853	12.8
221.06677	3.9
235.08202	9.0
237.11249	2.9
238.25317	2.4
245.19099	15.7
263.20166	3.1
277.21762	100.0
278.21851	3.2
289.18121	77.3
290.18442	3.6
302.97134	2.3
307.19193	78.8
308.19693	3.2
353.93515	2.7
379.12369	8.3
397.13528	77.5
415.14545	18.2
450.84567	2.4
687.31982	3.3
965.54541	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	1023.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	0.4
71.55388	0.3
81.70642	0.2
83.01392	0.3
85.02956	1.1
91.35579	0.2
93.03469	0.7
113.27173	0.2
117.03482	3.3
119.05049	0.6
121.03005	0.4
123.04498	0.3
123.05362	0.3
125.02459	0.4
132.78189	0.3
133.02966	0.6
135.04529	0.8
137.02458	0.4
145.02972	0.5
147.04510	0.6
149.02448	0.7
151.00230	0.3
158.03783	0.3
159.04475	0.6
161.02455	2.1
163.04008	0.8
165.01967	0.5
173.02504	0.3
175.04018	1.1
177.02014	1.3
177.05609	0.6
179.03534	0.6
189.01955	0.8
191.03545	0.9
197.06203	0.4
201.01883	0.4
203.03505	1.2
205.01424	0.5
205.04948	0.3
207.02986	1.0
209.06064	0.4
217.01491	0.3
217.05022	0.4
221.04485	0.3
223.07654	0.4
224.04936	0.3
231.02774	0.3
233.04509	0.3
239.07220	0.5
243.02805	0.3
250.06322	0.3
251.07159	0.8
253.05064	2.4
254.05667	0.4
261.03915	0.4
266.05795	0.4
267.06665	0.9
268.07379	0.7
269.04498	0.3
275.05515	0.4
277.05145	0.3
281.04599	1.2
282.05322	1.3
283.06189	6.1
284.03342	0.7
284.06415	0.4
285.04089	1.9
293.04660	0.7
294.05194	0.6
295.06122	5.8
296.06732	1.9
297.04517	0.4
297.07700	8.5
297.11075	0.5
298.08139	0.3
307.06152	1.7
308.06552	0.3
309.04025	0.7
309.07678	1.2
311.05670	8.4
312.05957	0.4
321.04025	0.5
321.07651	0.6
322.04803	0.6
323.05624	6.0
324.06274	1.1
325.07263	3.6
327.05054	0.4
328.05884	1.5
335.05612	1.2
337.03513	0.4
337.07150	2.5
339.05157	3.3
341.06775	1.7
349.07169	0.5
350.04135	0.4
351.05096	6.0
352.05615	0.5
353.06693	20.0
354.07074	0.9
355.08408	0.4
356.05362	1.1
363.05188	1.4
365.06836	1.8
367.08289	0.6
369.06174	8.8
370.06592	0.4
381.06195	2.5
383.07758	5.7
384.08005	0.4
393.05756	0.5
395.07816	0.8
399.07315	2.5
409.09354	0.8
411.07391	0.5
413.08682	0.8
419.07956	0.7
431.09821	1.2
437.08746	1.0
443.09888	0.5
447.09427	2.3
448.09683	0.4
455.09879	1.4
459.09271	1.8
467.83240	0.3
471.09323	2.6
472.09903	0.7
473.10971	4.2
476.09692	0.3
483.09546	0.7
489.10510	4.1
501.10663	0.6
505.10037	0.7
531.11780	0.5
557.13037	4.4
558.12939	0.6
575.14117	100.0
576.14417	9.6
761.28632	0.3
761.42694	0.3
1023.33539	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	0.6
83.01415	0.3
85.02944	0.4
87.00899	0.4
89.02441	0.4
93.03473	0.8
105.03443	0.4
107.01374	0.3
109.02943	0.5
117.03468	3.2
119.05058	0.8
121.02982	0.6
125.02404	0.4
133.02959	2.6
135.04536	0.8
137.02519	0.3
147.04533	0.7
149.02461	0.9
159.04552	0.3
161.02454	2.2
163.00328	0.7
163.04030	1.4
165.01949	0.5
173.02458	0.5
174.03181	0.5
175.00296	0.3
175.04019	1.8
177.01884	1.6
177.05574	0.3
178.25082	0.2
179.03438	0.5
187.03995	0.5
189.01956	1.0
189.05750	0.3
191.03511	1.6
193.01453	0.8
194.07497	0.2
197.06071	0.4
197.07823	0.2
199.03955	0.5
201.01920	0.8
203.03535	1.5
205.01404	0.6
205.05049	0.3
207.02997	1.1
215.03418	0.6
217.01485	0.4
217.05098	0.5
219.02956	0.9
219.06602	0.4
223.07713	0.4
225.05510	0.4
227.03513	0.3
229.05118	0.4
231.02925	0.5
233.04509	0.6
235.02484	0.9
238.06287	0.3
239.07089	0.5
240.04208	0.3
243.03026	0.4
245.04674	0.4
247.06096	0.4
249.03969	0.4
251.07170	0.6
253.05040	0.8
254.05789	0.3
255.06532	0.4
257.04565	0.4
263.07089	0.5
265.05176	0.5
267.03363	0.3
267.06570	0.7
268.07541	0.3
269.04532	0.6
275.05554	2.9
277.30313	0.3
278.05557	0.3
279.06754	0.8
281.04465	1.6
282.02563	0.3
282.05295	1.7
283.06100	6.5
284.03323	1.8
284.06326	0.5
285.03946	1.6
293.04587	1.1
293.08121	0.5
294.05209	0.6
295.06161	5.5
296.06653	1.0
297.04031	3.7
297.07684	4.3
298.04831	2.2
299.05637	4.5
305.06723	0.9
306.05222	0.4
307.06149	2.5
308.03238	0.7
309.03973	0.8
309.07706	2.0
311.05618	8.0
311.09164	0.5
312.06018	0.6
314.04361	0.4
317.06821	0.3
319.06006	0.3
321.04028	1.0
321.07672	1.5
322.04825	1.2
323.05600	6.0
324.06400	0.5
325.03659	0.4
325.07211	3.0
326.04462	0.4
327.05112	23.8
328.05621	2.3
335.05710	1.2
337.03613	0.5
337.07202	4.6
338.07535	0.3
339.05133	5.2
340.05695	0.5
341.06717	3.1
349.07214	1.3
350.04221	0.4
351.05103	8.4
351.09384	0.4
352.05460	0.8
353.06653	6.2
354.07272	0.5
355.08060	0.7
356.05399	0.5
357.06186	6.5
358.06277	0.3
363.05020	2.4
365.06601	2.0
367.08179	1.0
369.06168	5.7
370.06418	0.4
381.06171	6.2
382.06506	0.4
383.07706	5.9
393.05984	0.9
395.07370	1.4
399.07355	0.5
409.09308	0.7
411.07166	2.5
413.08710	1.8
419.07678	0.6
423.07178	0.6
425.08865	0.4
427.10419	1.4
431.09814	1.1
437.08844	0.8
441.08301	0.4
443.09708	1.3
447.09326	19.9
448.09641	1.2
449.08371	0.3
455.09756	0.6
457.11404	0.5
459.09351	4.9
467.10153	0.5
471.09378	11.2
472.09750	0.6
473.10901	1.8
483.09384	1.0
485.11124	1.4
489.10620	1.0
501.10422	3.5
503.12033	4.3
513.10663	0.3
531.11621	3.4
557.12964	4.9
558.13306	0.4
575.14099	100.0
576.14423	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	1015.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
78.82919	0.1
83.01390	0.2
91.90315	0.1
93.03466	4.5
96.96017	0.3
105.07127	0.2
107.05041	0.4
107.08677	0.3
108.02168	0.2
109.02972	0.3
109.06596	2.2
116.65907	0.1
117.03478	0.3
119.05040	40.9
120.05378	0.9
121.02978	0.3
123.00875	0.1
125.02436	0.2
129.07124	0.4
131.08691	1.0
132.02159	0.3
133.02977	0.4
133.06604	11.6
133.16460	0.1
134.06920	0.3
135.00887	0.3
136.01695	0.6
137.02443	0.5
143.05025	0.2
145.03029	0.8
147.08205	0.6
148.01677	0.5
149.06068	0.5
149.99561	0.1
150.03235	0.2
151.06422	0.2
151.07660	4.4
154.46706	0.1
157.06627	0.1
159.04546	0.3
161.02431	0.3
161.06041	0.2
163.00394	0.4
163.07634	0.2
164.01219	0.3
165.31094	0.1
175.07660	5.1
176.01163	4.5
176.08073	0.1
177.01964	0.8
177.05559	0.3
180.00620	0.2
185.06020	0.2
187.04031	0.6
189.01845	0.1
189.09189	0.2
190.02686	0.2
191.07144	1.2
193.08669	0.8
205.08517	0.2
219.06635	37.0
220.06946	1.4
222.01706	0.3
233.08217	2.3
237.07727	0.5
245.08165	2.6
265.51746	0.1
270.05304	0.2
295.13361	0.4
321.11215	0.1
339.12381	100.0
340.12714	6.1
340.16998	0.2
359.60223	0.1
397.13779	0.3
710.09265	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	49.5
72.01740	0.8
72.02129	0.3
72.99315	1.9
73.02955	56.4
73.90328	0.3
74.03296	1.4
75.00898	1.1
81.03448	0.8
83.01398	18.4
84.01703	0.4
85.02960	8.9
87.00877	1.9
89.02456	17.9
90.02771	0.5
95.01394	4.3
97.02949	1.5
97.81667	0.3
98.19781	0.4
99.00891	0.8
99.04563	0.4
101.02454	54.9
102.02788	0.9
111.08162	1.4
113.02463	28.5
114.02798	0.8
116.73854	0.4
117.01947	0.3
119.03522	9.6
125.02468	3.0
127.03908	0.4
131.03522	5.5
139.57439	0.3
143.03513	6.8
147.02994	0.5
148.92448	0.3
149.04576	11.8
150.04840	0.4
155.03511	1.7
161.04565	20.4
165.12862	24.9
166.13194	1.4
179.05627	4.7
181.12466	0.4
183.13914	64.5
184.14259	4.1
185.14519	0.5
191.10773	0.4
197.15471	1.1
203.05646	2.6
207.13957	2.3
209.11798	2.4
221.06688	7.1
225.15004	1.5
227.12906	100.0
228.13231	7.4
229.13412	0.9
231.13994	0.4
237.15004	0.6
249.14957	0.6
251.12888	6.5
252.13182	0.6
263.12973	0.8
269.14005	1.4
281.13922	1.3
293.13855	2.5
299.15045	1.3
311.14963	1.0
329.16055	2.9
330.16370	0.4
335.14847	0.4
353.15979	1.1
366.32971	0.5
371.17203	1.6
373.22174	0.9
389.18207	61.9
390.18494	6.8
391.18741	1.7
415.23514	3.3
445.42737	0.4
677.50372	0.4
903.46759	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0246
Annotation	Succinate semialdehyde
Peak:m/z	Relative Intensity
55.01879	7.2
57.03454	56.6
59.01381	9.0
59.73819	1.6
69.72913	9.4
71.01385	4.8
72.12434	1.5
73.02953	25.1
75.42208	1.7
83.01405	3.9
86.00097	5.0
93.86230	1.8
96.40586	1.8
97.27109	2.1
98.19894	2.3
100.94614	27.0
100.95198	10.4
100.96030	9.7
101.02457	100.0
102.02793	4.6
102.05621	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	1011.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	0.3
73.20985	0.2
78.63328	0.3
79.08521	0.2
79.63393	0.2
93.03471	0.8
95.01441	0.3
117.03474	2.5
119.05013	0.3
121.02988	0.3
133.02982	1.1
135.04524	1.1
147.04520	0.6
149.02434	0.8
159.04555	0.4
161.02515	1.4
163.04106	0.6
165.02013	0.3
175.04004	1.1
177.01956	0.4
177.05571	0.5
179.03491	0.5
187.04028	0.3
191.03511	1.0
197.06047	0.3
201.13121	0.3
203.03496	0.7
213.05528	0.3
221.04623	0.5
233.04506	0.3
237.05672	0.3
245.04480	0.3
253.08681	0.4
267.06659	0.3
268.07544	0.7
278.81830	0.3
279.06512	0.3
281.04599	0.8
282.05307	1.0
283.06113	1.9
284.03223	0.7
285.04095	0.6
295.06161	2.3
296.06824	1.1
297.04114	1.5
297.07651	10.4
298.04849	0.9
298.07965	0.5
299.05737	1.2
300.06116	0.3
307.06134	1.2
309.07727	1.0
311.05600	2.1
312.05975	0.4
323.05615	2.0
324.06274	0.6
325.03720	0.4
325.07211	4.0
327.05139	8.4
328.05835	2.1
335.05640	0.9
337.07297	1.5
339.04971	0.6
351.04852	0.4
353.06696	25.4
354.07236	1.5
355.08237	0.3
356.05377	0.7
357.06238	2.2
365.06738	3.1
381.05942	0.3
383.07739	14.8
384.08093	1.6
395.07819	2.0
397.09570	0.3
407.07846	0.4
413.08759	1.9
425.08786	1.1
437.08530	0.4
443.09851	8.9
444.10193	0.8
447.09393	6.9
448.09674	0.5
455.09808	1.2
473.10892	4.7
474.11084	0.5
485.10974	0.6
514.06946	0.3
545.13422	0.5
553.95068	0.2
563.14105	100.0
564.14429	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	101.0245
Annotation	Succinic acid semialdehyde
Peak:m/z	Relative Intensity
55.01871	7.2
57.03452	71.4
59.01379	5.3
69.48653	4.1
71.09775	5.0
71.10107	7.1
73.02958	15.9
73.36806	4.5
83.01408	10.5
84.18108	4.6
100.95174	7.6
101.02459	100.0
102.02824	6.3
102.05598	13.3
112.51846	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	1007.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
74.29035	0.6
85.02944	1.2
93.03487	0.7
117.03477	3.7
119.05032	1.3
135.04564	1.1
161.02434	1.9
163.04012	1.2
175.04025	0.7
177.01930	1.1
177.05544	0.6
179.03415	0.7
187.04114	0.6
189.01894	0.8
191.03502	0.9
201.01979	0.6
203.03459	1.3
205.01355	0.5
207.03191	1.0
212.75778	0.5
219.02777	0.5
251.07178	0.8
275.05576	0.7
279.06543	0.5
281.04803	1.0
282.05234	1.2
283.06171	6.2
287.02274	0.5
287.71426	0.6
293.04974	0.5
294.05521	0.9
295.06155	4.9
296.06821	1.3
297.07721	7.8
307.06207	2.5
308.03073	0.5
309.07773	0.9
311.05603	10.2
314.04202	0.7
322.04898	0.7
323.05637	5.6
324.06296	0.8
325.07169	3.4
328.05826	1.5
335.05698	1.6
337.07333	2.5
339.05139	2.6
341.06680	1.6
349.07095	1.2
351.05161	5.4
353.06668	20.0
354.06952	0.9
356.05423	0.6
363.05130	1.2
365.06671	1.5
369.06198	8.9
381.06116	2.4
383.07709	6.0
384.08353	0.8
393.06073	0.7
395.07681	1.0
399.07318	2.3
411.07181	0.8
431.09665	1.7
437.08817	1.4
455.09772	1.1
459.09229	2.4
471.09259	3.1
472.10056	0.6
473.10883	5.1
483.09567	0.7
485.11340	0.7
489.10571	4.2
503.11853	0.9
557.12939	4.8
575.14105	100.0
576.14459	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	1009.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	1.0
73.02952	0.5
85.02964	4.2
93.03465	0.6
96.95994	0.6
101.02454	0.7
107.38888	0.5
109.02938	0.5
113.02438	0.6
117.03482	3.7
119.05093	0.9
121.02958	0.6
125.02433	2.1
135.04565	1.0
137.02452	0.8
145.03003	0.7
149.02394	1.0
149.06073	0.5
150.03250	0.7
159.04472	0.7
161.02455	1.8
163.04027	1.0
167.03531	0.7
175.03976	0.7
177.01941	1.6
177.05562	0.7
179.03452	0.6
191.01938	2.2
191.03493	1.1
193.05063	0.6
203.03549	0.9
221.04469	0.5
255.02747	0.6
281.04504	1.0
281.08005	0.6
282.05344	0.9
283.06122	6.4
284.06332	0.7
293.04587	0.6
295.06094	2.8
296.06732	2.3
297.07718	12.6
298.07974	1.5
307.06140	1.1
309.07663	1.5
311.05643	5.9
312.05826	0.8
323.05597	2.5
324.06250	1.5
325.07153	4.1
326.07541	0.8
328.05872	1.8
335.05594	1.5
337.07150	2.5
340.05740	0.5
341.06512	0.9
351.05017	1.0
352.05341	0.6
353.06693	28.4
354.07013	2.4
355.07565	1.8
356.05328	0.6
365.06625	2.8
369.06134	0.7
371.06863	0.8
383.07770	19.0
383.12704	1.1
384.08118	1.5
395.07831	3.0
413.08923	2.4
415.08875	0.7
425.08716	1.1
431.09882	5.4
439.10291	2.0
457.11499	5.1
473.10748	2.3
489.10120	0.7
503.11786	1.6
559.13501	1.1
575.14270	6.0
576.14417	9.2
577.15582	100.0
578.15857	10.7
782.26410	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	994.6092
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	1.6
69.07060	4.8
70.06606	1.7
71.06834	1.3
71.07173	1.8
72.04537	1.5
73.02925	2.2
79.05499	16.9
80.05025	2.5
81.07059	17.0
82.06564	4.3
83.08609	2.3
84.04497	1.5
84.08131	6.2
85.02913	8.0
85.68303	1.0
91.03955	3.0
91.05480	13.4
91.47851	1.0
93.07053	15.1
94.06579	8.0
95.04961	3.9
95.08613	12.0
96.08134	1.7
97.02914	6.5
97.06549	1.2
98.21387	1.3
105.04538	1.1
105.07036	9.9
106.06561	1.8
107.08608	10.5
108.08150	2.2
109.06528	1.2
109.10171	5.3
110.09720	1.9
112.07635	2.9
117.07030	4.4
119.08569	7.0
120.08141	3.3
121.10173	6.5
122.09682	2.0
123.08083	1.0
124.11252	3.5
127.03890	1.8
129.07004	1.6
131.08571	4.2
132.08044	1.6
133.10133	3.8
134.09702	1.8
135.11688	3.4
136.11232	1.9
137.09666	1.1
145.10126	2.9
147.11699	3.0
149.13277	2.2
152.10699	1.5
157.10104	1.6
159.11722	3.3
161.13264	1.4
162.12691	1.5
164.14377	2.3
171.11720	2.4
220.17064	1.5
248.16386	1.3
250.30904	1.1
300.23294	3.0
312.32584	4.0
318.24249	2.2
335.25800	8.3
392.28091	3.1
410.28989	1.9
479.15076	1.1
532.39648	1.4
572.43121	1.8
585.43488	1.4
612.46155	1.3
635.47180	1.3
652.48981	4.1
661.88794	1.4
670.50427	100.0
671.50641	5.5
778.51984	1.5
796.52545	1.4
814.54791	5.6
832.55573	42.5
833.55731	2.4
994.60797	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	1003.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42613	2.7
71.01402	15.4
89.02461	10.0
101.02462	8.5
111.08180	4.2
113.02467	5.4
115.82645	3.6
121.03015	4.8
125.02465	4.6
142.28259	2.7
150.42323	3.2
161.04643	3.1
165.01976	4.4
179.05745	3.3
197.11841	28.9
211.13449	5.8
235.08221	5.9
277.21725	34.9
281.72931	2.9
291.19751	15.9
309.20755	100.0
310.21140	5.7
379.12531	6.0
397.13541	54.1
415.14542	15.3
447.88272	3.1
675.36121	6.3
682.47156	3.0
689.33966	6.2
707.35217	9.1
967.56787	5.5
1003.53961	54.8
1004.54614	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	989.5444
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	2.8
69.07078	0.9
71.01353	0.4
71.29925	0.8
73.02918	2.5
77.73572	0.4
79.05512	2.5
81.03429	1.1
81.07072	3.0
83.08641	0.7
85.02911	4.8
91.03963	3.1
91.05500	1.3
91.29411	0.5
93.07068	2.7
95.08620	2.2
97.02898	4.4
97.10191	0.7
99.04482	0.5
101.02405	1.5
102.06990	0.4
105.07027	0.8
107.08603	0.9
109.02934	0.7
109.10159	0.6
115.03902	0.4
119.08589	0.9
121.10155	0.9
123.11788	0.4
124.79726	0.4
125.09703	0.4
127.03932	1.2
131.08594	0.6
133.10156	1.0
135.11685	0.7
185.04271	0.7
203.05397	0.5
243.08408	1.9
256.67148	0.4
291.19653	0.4
331.18774	1.2
336.26398	0.4
347.09683	1.4
405.13669	5.3
421.13077	0.6
519.29401	4.6
549.26837	1.8
611.46954	0.4
612.47388	0.5
681.34515	5.5
711.32135	1.2
827.49280	0.9
904.54407	0.5
989.54553	100.0
990.55078	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	991.5607
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	3.0
69.07071	0.9
71.01364	0.3
71.05003	0.5
71.55153	0.3
73.02925	2.7
79.05492	1.9
81.03418	1.1
81.07062	2.8
83.04981	0.5
83.08625	0.4
85.02912	4.1
87.04479	0.3
91.03950	2.4
91.05492	1.6
93.07058	2.0
95.05001	0.4
95.08613	1.5
97.02900	4.4
99.04487	0.9
101.02383	1.5
103.03970	0.3
105.07066	0.9
107.08608	1.2
109.02914	0.7
109.10188	0.6
112.91782	0.2
115.03970	0.3
119.08625	0.7
121.10175	0.8
123.11697	0.2
127.03915	1.5
131.08617	0.4
133.10184	0.6
135.11708	0.5
141.25050	0.2
141.60106	0.2
145.05035	0.2
145.10110	0.5
147.11739	0.4
149.13364	0.2
161.13290	0.3
185.04237	1.2
201.03767	0.4
203.05336	0.6
217.34717	0.2
243.08397	2.2
243.10376	0.2
259.07663	0.2
333.20370	1.8
335.26160	0.5
347.09396	1.9
363.09125	0.4
365.10709	1.0
389.23218	0.3
405.13684	4.9
405.18515	0.3
439.19745	0.4
453.21313	0.4
501.97186	0.2
519.29340	4.5
551.28217	2.1
601.24359	0.2
681.34583	6.3
713.33398	2.0
829.50702	0.8
878.26788	0.3
906.96429	0.3
991.56067	100.0
992.56433	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	986.6054
Annotation	Unknow
Peak:m/z	Relative Intensity
68.46957	0.8
68.47868	1.1
69.03439	9.1
69.06724	1.9
69.07079	23.9
69.07459	1.4
71.01376	1.1
71.05013	4.6
73.02911	2.6
77.03923	1.5
79.05502	69.2
81.03423	10.1
81.07065	87.8
83.04998	9.4
83.08625	13.4
85.02917	11.5
85.06546	3.7
91.03970	5.2
91.05491	55.3
93.07052	73.9
95.04977	12.0
95.08617	52.3
95.09241	1.7
97.02917	10.4
97.06538	8.8
97.10173	8.9
99.04490	2.6
99.08125	2.4
103.05483	1.9
105.04535	3.0
105.07040	41.5
107.04961	6.2
107.08607	43.0
109.02904	2.8
109.06540	4.9
109.10169	24.3
109.10915	1.2
111.08112	4.0
113.09673	1.5
115.05450	1.9
115.07600	1.2
116.06245	1.1
117.07027	18.3
119.08595	29.1
119.09462	1.5
121.06523	2.5
121.10160	26.1
123.08088	3.5
123.11719	6.4
125.09642	8.4
127.03932	4.2
128.06270	1.2
129.05521	1.2
129.07016	5.9
130.07764	1.3
131.08578	25.4
133.06470	1.8
133.10147	25.2
135.08064	4.2
135.11717	18.7
137.09583	1.2
137.13257	1.3
139.11212	1.1
141.06987	2.4
142.07819	1.5
143.08586	5.8
145.05002	2.6
145.10129	19.2
147.08054	1.9
147.11700	14.5
149.09634	8.3
149.13278	10.5
151.11176	2.0
153.09137	1.0
155.08603	3.4
157.10153	6.2
159.11707	15.9
161.09567	1.4
161.13277	7.3
163.06079	2.1
163.11153	4.9
163.14830	2.9
169.10216	2.0
171.11707	3.9
173.04478	2.5
173.11861	1.5
173.13203	7.8
175.11214	1.0
175.14851	2.6
177.12796	3.7
177.16373	1.4
179.14276	1.3
180.12257	0.9
181.12111	1.1
183.11720	4.2
185.13283	5.1
187.11159	1.6
187.14854	3.3
189.11192	3.5
192.48933	0.9
195.11737	1.0
195.13814	3.2
197.13380	2.3
199.14894	2.4
201.16348	1.6
203.14363	1.6
204.47169	1.2
209.13351	1.3
211.14859	1.3
213.12738	1.1
216.87387	0.9
217.15767	1.5
219.13797	1.2
219.17606	2.3
227.12837	8.1
229.14317	5.3
229.19594	1.8
235.16953	1.2
239.17961	2.4
243.21172	3.3
247.20602	2.2
255.15935	5.9
257.18973	6.7
259.20654	3.6
261.22153	12.2
267.15988	1.2
269.17496	16.2
275.20068	26.6
275.23090	1.3
277.21704	1.7
293.21152	3.7
299.20453	1.0
309.20578	4.8
317.21292	1.2
317.24710	2.2
331.22812	3.1
333.24155	2.1
335.25827	100.0
336.26138	3.2
349.23746	28.9
351.25363	1.6
367.24774	2.9
378.08893	1.1
408.06262	1.0
413.21771	1.5
419.24139	1.2
437.34436	1.6
489.35812	6.1
505.35394	2.1
513.38678	1.0
515.37335	14.1
529.38965	57.0
530.39423	1.6
543.40167	1.5
569.41937	13.4
609.45172	45.8
610.45233	1.6
627.46277	9.2
649.39740	1.5
651.45081	1.2
673.43121	1.8
753.48383	1.1
771.50665	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6051
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	9.1
69.07070	28.4
71.04982	6.2
72.90582	1.2
73.02899	4.0
79.05496	72.6
81.03423	11.1
81.07059	90.4
83.04981	10.1
83.08617	14.3
85.02908	10.8
85.06533	2.9
91.03946	5.0
91.05484	51.9
93.07046	80.0
95.04967	12.4
95.08610	55.2
97.02891	8.8
97.06544	12.8
97.10168	8.0
99.04433	2.0
99.08094	3.6
103.05447	1.4
105.04551	1.8
105.07035	43.0
107.04960	4.6
107.08595	46.5
109.02846	2.7
109.06538	5.2
109.10161	23.2
111.04438	2.5
111.08087	7.3
111.76154	1.1
113.09624	1.6
115.05453	2.9
117.07020	21.5
119.08582	29.1
121.06499	3.3
121.10147	31.6
123.08066	4.0
123.11688	8.1
125.09599	3.7
127.03906	3.5
127.07571	1.6
127.72737	1.0
128.06204	2.3
129.05498	2.1
129.06981	6.7
130.07803	1.6
131.08571	26.1
133.10132	27.0
135.08084	3.6
135.11693	19.7
137.09602	3.5
137.13277	1.3
139.11179	1.1
143.08562	4.7
145.04958	1.9
145.06490	1.6
145.10126	18.1
147.11696	11.7
149.09615	7.7
149.13268	17.1
151.11191	3.1
155.08545	2.0
157.10121	4.3
159.11685	17.8
161.13292	6.7
163.06081	1.7
163.11151	5.9
163.14786	3.6
169.10097	2.9
171.11705	4.4
173.04451	3.1
173.13239	9.6
175.11224	1.6
175.14795	2.8
177.12747	3.3
179.14294	1.3
181.12328	1.2
183.11699	2.6
185.13297	3.4
187.11183	1.4
187.14769	3.1
189.11256	1.3
191.14287	1.4
195.11908	1.4
195.13776	5.0
197.13293	1.8
199.14900	1.5
201.16527	1.5
202.15207	1.1
213.14719	1.4
227.12791	2.2
229.19586	2.3
230.23482	1.1
235.16920	1.8
239.17903	3.5
241.19504	1.4
243.21138	5.4
247.20549	2.4
253.14403	1.3
255.15886	9.2
257.19089	6.8
259.20642	3.4
261.22165	13.7
267.15991	2.2
268.18625	1.2
269.17487	33.1
270.17676	1.4
275.20068	30.6
277.21683	2.6
293.20996	3.0
309.20609	2.6
317.24850	2.9
331.22745	1.7
333.24469	2.2
335.25806	100.0
336.25916	2.5
349.23730	25.7
367.24872	5.4
413.21832	2.5
437.33664	2.0
488.02524	1.3
489.35803	2.3
505.35202	1.5
515.37384	23.6
527.37189	1.3
529.38928	99.1
530.38965	4.0
569.42358	5.1
609.45105	34.6
610.45465	2.1
627.46289	14.3
673.42938	3.2
771.50031	2.4
937.02667	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5896
Annotation	Unknow
Peak:m/z	Relative Intensity
68.52008	1.4
69.03430	4.2
69.07073	17.8
69.46755	11.0
71.04990	5.0
73.02891	1.6
78.40015	1.3
79.05495	58.1
79.32585	1.4
81.03416	5.8
81.07060	74.4
83.04984	14.0
83.08616	8.6
85.02889	6.3
85.06535	5.2
90.10206	1.4
91.03963	2.3
91.05483	65.2
91.57327	1.3
93.07050	64.7
94.07322	1.4
95.04956	13.3
95.08615	41.8
97.02917	3.7
97.06533	6.7
97.10175	4.0
98.21571	2.8
99.04489	2.9
105.07034	52.2
107.04955	6.3
107.07872	2.9
107.08596	50.5
109.06510	9.8
109.10162	49.8
109.10928	1.8
111.08091	4.1
113.05983	1.8
115.05437	2.4
117.07012	10.6
119.08582	21.0
121.06490	8.6
121.10154	19.2
123.04495	2.0
123.08076	3.0
123.11720	8.9
125.09637	2.1
127.07548	2.9
128.06146	1.6
129.06999	3.8
131.08591	15.9
133.06471	3.4
133.10139	57.9
135.08035	6.4
135.11685	12.2
137.09627	2.5
141.06973	2.2
143.08559	6.3
145.10126	12.1
147.08078	2.2
147.11694	6.2
149.09651	4.5
149.13274	4.7
151.11197	24.6
157.10110	4.8
159.08087	1.8
159.11694	5.8
161.09628	7.5
161.13321	3.7
163.14825	1.7
169.12273	1.8
171.11688	4.1
173.13252	3.5
175.11217	2.7
175.14833	2.5
179.10690	2.5
187.14711	2.4
201.12943	1.5
207.94852	1.6
227.18025	1.8
233.22687	1.5
237.16203	1.8
243.21025	3.2
245.18996	3.9
251.12924	2.3
253.14371	78.2
261.22241	10.0
263.20081	4.6
273.18506	20.8
275.20316	1.8
291.19553	28.3
309.20502	2.7
317.24777	2.4
333.24237	1.6
335.25809	85.3
336.26199	2.1
347.22229	7.8
365.19034	2.7
365.23288	38.0
383.24283	3.0
397.99292	1.5
439.31995	2.0
457.33371	1.8
503.37949	1.4
513.35406	4.3
529.35248	5.3
531.36853	27.3
549.36926	1.3
607.43225	10.3
625.44635	100.0
626.44995	4.0
643.45898	2.0
984.55115	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	984.5893
Annotation	Unknow
Peak:m/z	Relative Intensity
68.41583	0.6
69.03429	6.6
69.07071	21.9
70.67059	1.8
71.04954	1.9
77.03907	0.7
79.05496	37.6
81.03418	3.9
81.07059	43.2
83.04979	4.9
83.08612	8.8
85.02918	4.6
85.06515	1.1
88.89806	0.6
91.03907	2.8
91.05481	25.2
93.07047	34.3
95.04970	7.8
95.08607	26.9
97.02896	10.5
97.06531	3.6
97.10174	11.2
103.05432	0.8
105.04519	1.4
105.07038	18.4
107.04956	7.7
107.08600	19.9
109.02890	1.2
109.06557	3.3
109.10159	17.3
111.04403	1.3
111.08030	2.1
115.05412	1.3
116.06211	0.7
116.71722	0.6
117.07018	8.0
119.04926	1.3
119.08584	15.7
120.18425	0.6
121.06472	3.3
121.10144	13.0
123.08093	4.1
123.11693	3.1
125.05935	0.6
125.09631	7.8
127.03902	1.0
128.06171	0.9
129.05478	0.7
129.07007	2.9
131.08571	12.8
133.06445	2.3
133.10138	11.9
134.07277	1.0
135.08064	3.4
135.11696	8.0
137.09628	3.0
137.13243	0.9
141.07004	0.7
142.07816	0.7
143.08583	4.0
145.06352	0.6
145.10124	8.0
147.08038	4.4
147.11670	6.1
149.09583	2.1
149.13289	5.0
151.11128	2.2
153.09074	1.1
153.20284	0.6
155.08493	0.7
157.10092	2.2
159.08029	1.4
159.11687	6.0
161.09624	3.1
161.13272	3.1
163.05992	0.8
163.11159	1.9
163.14790	2.6
165.09077	1.9
169.10129	1.1
171.08145	0.7
171.10278	0.8
171.11670	2.5
173.13249	2.8
175.11130	2.6
175.14815	0.8
177.12784	1.2
181.10109	0.8
185.13216	1.5
187.14790	1.2
189.11214	4.1
189.12717	1.0
193.12318	1.1
195.11760	0.8
195.13715	1.4
199.14748	0.6
203.14381	0.7
205.12224	1.7
223.11176	0.7
223.13278	17.3
227.12851	3.8
227.18022	0.9
243.21127	2.2
245.18997	1.7
249.14871	3.0
253.14291	3.5
255.17323	1.0
261.22119	7.9
263.20016	1.0
267.15976	1.7
273.18506	14.8
273.21252	1.2
275.20157	1.5
291.19553	100.0
292.20044	1.0
297.16916	0.7
300.60974	0.7
309.20569	1.0
317.24823	2.4
335.25809	67.1
336.26141	1.2
347.22189	3.4
357.30731	0.7
365.23242	63.0
366.23535	1.7
366.62762	0.7
527.37402	0.9
531.37036	2.2
545.38452	4.4
551.41223	0.8
583.28241	0.9
607.43445	4.5
625.44666	86.0
626.44922	3.3
643.45209	1.1
984.54480	1.0
1019.92706	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5654
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	3.1
70.14864	0.4
71.01377	0.5
71.05003	0.7
71.55679	0.6
73.02921	2.7
79.05497	2.5
81.03430	0.8
81.07070	2.7
85.02910	4.3
91.03967	2.8
91.05515	1.6
93.07034	2.1
94.80267	0.4
95.04985	0.4
95.08620	2.4
97.02912	4.7
99.04466	0.6
101.02396	1.3
105.07049	1.6
107.08614	1.0
109.02901	0.6
109.10165	0.7
119.08617	1.5
121.10182	1.3
124.41650	0.4
127.03942	1.6
131.08598	0.5
133.10182	0.7
135.11832	0.4
145.10152	0.5
185.04305	0.7
203.05327	0.6
243.08510	2.0
317.20950	0.6
347.09671	1.7
365.10880	1.0
405.13751	5.1
485.83524	0.4
519.29279	4.1
535.28766	3.5
544.86420	0.4
681.34564	4.4
697.33917	3.3
769.36609	0.4
813.51990	0.7
975.56549	100.0
976.56909	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	981.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55055	1.3
75.13538	1.1
81.07087	1.4
85.45426	1.1
115.66376	1.1
181.18600	1.1
336.21347	1.2
352.14648	1.1
410.13608	1.7
411.14517	3.4
412.15387	2.3
424.11163	2.1
424.16104	1.8
425.16232	8.1
426.16690	4.8
439.13486	7.1
440.18399	4.4
441.19370	24.0
442.19333	1.5
452.14618	1.8
453.15207	9.0
454.16443	2.5
467.17166	20.5
468.17886	9.3
469.18790	10.6
481.14917	13.6
482.15372	1.7
495.16278	7.5
496.17215	16.0
497.17712	2.5
508.19217	1.5
509.18069	1.5
514.22552	1.4
527.22620	1.8
555.22607	14.9
583.21967	100.0
584.22485	7.3
615.24567	6.2
642.22803	8.0
643.23932	86.3
644.24109	4.5
665.21906	4.2
794.83063	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5893
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	6.0
69.07072	19.8
69.07415	0.7
71.04950	2.2
71.06321	1.3
71.06660	0.6
74.69338	0.5
74.89586	0.6
77.03895	0.6
78.32944	0.6
79.05497	33.1
81.03432	3.2
81.07060	38.2
83.04973	3.6
83.08623	8.7
85.02904	3.3
85.06490	1.6
91.03906	1.6
91.05487	20.2
93.07048	32.5
95.04465	0.6
95.04977	7.4
95.08610	27.7
97.02893	10.7
97.06543	2.6
97.10174	9.8
99.08047	0.8
105.03354	0.7
105.04519	0.6
105.07038	15.9
107.04963	5.6
107.08598	19.8
109.02819	1.2
109.06463	2.2
109.09498	1.1
109.10162	13.6
111.08030	2.3
115.05373	0.9
116.06157	0.9
117.06256	0.6
117.07017	6.6
119.04903	1.5
119.07836	1.0
119.08586	12.7
121.06460	1.9
121.09357	0.9
121.10152	12.4
123.08080	2.5
123.11720	3.1
125.09633	7.2
126.00835	0.5
127.03828	1.1
129.07014	3.2
130.07689	0.6
131.08574	9.9
133.06441	2.0
133.10127	6.5
134.00989	0.6
134.07213	0.8
135.08086	2.6
135.11697	8.4
137.06021	0.6
137.09590	1.7
137.13235	1.0
139.11125	0.7
141.06995	0.6
143.08511	2.7
145.06442	0.7
145.10127	7.3
147.08064	4.6
147.11690	4.9
149.09607	1.2
149.13268	4.7
151.11157	0.9
153.09093	0.8
157.10075	2.3
159.11717	4.5
161.09627	2.0
161.13187	2.7
162.10321	0.6
163.05934	0.7
163.11159	1.5
163.14781	1.5
165.09042	1.5
169.10075	0.9
169.12206	0.5
171.10187	0.6
171.11653	0.8
173.11916	0.5
173.13229	2.3
173.66040	0.5
175.11169	1.9
175.14793	0.9
177.12666	1.1
181.10042	0.5
185.13298	0.9
187.14882	1.0
189.11266	3.3
193.12186	1.2
195.13799	1.1
205.12256	1.8
207.00630	0.6
211.13324	0.8
223.11143	1.0
223.13289	16.4
227.12741	2.0
227.17929	0.6
231.62019	0.5
243.21111	2.1
245.19012	1.0
249.14914	3.0
255.17537	1.2
259.20490	0.8
261.22165	7.8
263.19977	1.1
266.09064	0.7
267.15906	0.7
272.42245	0.5
273.18500	10.9
283.15268	0.7
285.17188	0.6
291.19553	80.2
292.19846	1.3
297.26303	0.6
299.23740	0.7
313.95569	0.5
317.24716	2.5
335.25818	73.9
336.26288	1.5
347.22134	1.8
365.23257	45.8
366.23465	1.0
422.66055	0.6
505.35410	0.8
527.37518	1.5
545.38611	4.2
607.43359	3.3
625.44678	100.0
626.44983	3.8
643.46027	1.0
769.48932	0.8
787.50641	0.8
952.39087	0.6
984.54712	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5655
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	2.2
69.07078	0.5
69.88683	1.3
71.01355	0.4
73.02925	2.9
79.05493	2.1
81.03423	1.0
81.07061	2.5
85.02914	4.0
91.03959	2.5
91.05473	1.3
93.07040	2.2
95.04944	0.4
95.08608	1.7
97.02907	4.4
99.04473	0.8
101.02401	1.4
105.07056	0.8
107.08618	1.0
109.02911	0.9
109.10174	0.6
116.05981	0.3
117.07011	0.6
119.08603	0.6
121.10172	0.9
127.03930	1.7
131.08551	0.5
131.78447	0.3
133.10147	0.5
135.11740	0.4
145.10165	0.3
147.11679	0.6
185.04321	1.0
189.53160	0.3
201.03775	0.6
201.79764	0.3
203.05354	0.8
243.08459	1.6
305.08524	0.4
315.10461	0.3
317.20892	0.4
347.09506	2.4
349.33176	0.3
363.09174	0.7
365.10703	1.0
405.13684	5.6
463.14429	0.9
477.16074	0.5
519.29358	4.5
522.15631	0.3
535.28845	1.9
543.08746	0.3
610.27411	0.3
654.96362	0.3
667.51685	0.3
681.34662	6.8
682.34564	0.3
697.34082	2.4
753.37378	0.7
813.51514	0.7
905.48474	0.3
932.48682	0.3
975.56549	100.0
976.56744	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	973.5501
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	3.0
69.07072	1.6
71.55821	1.1
73.02921	2.4
74.39310	0.5
79.05505	2.6
81.03445	1.1
81.07065	2.4
85.02916	4.1
91.03960	1.9
91.05500	1.7
93.07056	2.4
95.04992	0.7
95.08645	2.4
97.02900	5.2
101.02387	1.2
105.07059	2.1
107.08630	1.6
107.65356	0.5
109.02914	0.8
109.10143	0.9
119.08588	1.8
121.10175	1.7
127.03917	1.0
131.08614	0.9
133.10167	1.0
160.37650	0.7
185.04283	0.8
237.70474	0.5
243.08563	2.6
247.11816	0.5
258.41278	0.6
315.19446	2.6
338.65714	0.6
338.81107	0.6
347.09802	1.7
365.10684	0.8
371.22055	1.2
405.13599	5.6
519.29364	4.1
530.69702	0.7
533.27472	6.3
681.34357	4.3
695.32422	4.3
811.49719	0.7
973.54962	100.0
974.55084	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	970.6133
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	4.9
69.07070	10.9
71.04999	2.1
71.08645	1.6
71.55231	1.5
73.02927	5.1
79.05494	37.0
81.03427	3.2
81.07056	44.8
83.04990	2.0
83.08622	6.6
84.55681	0.8
85.02900	11.9
85.06519	2.1
91.03958	5.7
91.05479	31.6
91.87395	0.9
93.07042	45.6
95.04991	4.4
95.08604	40.0
97.02903	8.2
97.06535	3.7
97.10181	3.3
99.04465	1.6
99.08079	1.9
100.28478	0.9
101.02348	1.7
103.05462	1.2
105.07025	27.0
105.07676	1.6
107.08593	25.0
107.09305	1.5
109.02914	1.8
109.06535	2.2
109.10150	13.0
111.08117	1.9
117.07020	10.8
119.06158	0.9
119.08580	22.5
121.10147	18.5
123.08103	1.7
123.11730	3.6
123.36238	1.0
125.09628	2.1
127.03941	3.4
129.07053	3.5
131.08559	13.4
133.10138	16.8
135.08099	1.2
135.11697	11.8
137.13339	1.5
143.08585	4.1
145.05058	1.7
145.10117	12.4
147.11661	11.6
147.12595	1.1
149.13271	5.4
151.11226	1.1
155.08516	1.3
157.10182	3.6
159.11691	9.4
161.13268	8.1
163.06078	1.3
163.11234	1.5
163.14850	1.8
171.11681	5.1
173.13258	6.5
175.14912	3.0
177.16571	1.1
179.14398	1.3
185.13316	3.8
187.14793	5.1
195.13911	1.1
197.13354	1.2
199.14807	2.2
201.16440	2.3
204.89468	0.9
205.15984	1.7
213.16496	1.7
221.19005	1.4
241.19560	4.8
243.08446	2.0
243.21165	1.2
257.18979	1.9
259.20563	13.9
261.22122	5.1
277.21603	10.7
293.21133	1.6
317.24863	1.7
333.20447	1.6
333.24188	9.5
335.25784	62.0
336.26157	1.0
347.09409	1.6
351.25293	24.8
405.13678	5.0
406.13947	1.0
497.31409	3.1
519.41449	1.2
529.39203	2.7
551.28381	1.9
552.28870	1.8
553.29224	1.3
571.43665	2.3
593.45807	2.8
611.46661	30.2
612.46375	1.3
659.36572	2.0
660.37030	2.7
713.33044	1.6
714.33887	4.1
969.57349	1.4
970.57922	100.0
971.58344	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	970.6104
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	5.7
69.07077	28.5
71.05007	3.6
72.18412	2.2
73.02923	3.7
79.05497	81.9
81.03413	4.4
81.07061	96.9
83.04972	2.4
83.08621	13.2
85.02917	20.9
85.06536	2.7
91.03964	17.8
91.05485	96.1
93.07049	100.0
95.04980	10.0
95.08609	82.0
97.02891	11.5
97.06538	8.1
97.10165	6.5
99.08106	4.3
103.05460	4.2
105.04551	2.1
105.07037	87.3
107.08597	55.0
108.79450	2.1
109.06512	4.3
109.10162	31.1
111.08047	3.4
112.10614	2.1
115.05476	4.0
115.81583	2.0
117.07026	34.5
119.08583	69.4
121.06536	1.9
121.10155	47.9
123.08054	2.3
123.11728	10.3
125.09623	2.4
127.03933	5.2
128.06229	4.2
129.05490	2.3
129.07002	14.1
131.08580	37.2
133.10135	59.8
135.11699	31.6
137.13260	2.7
141.06989	4.9
143.08549	18.6
144.09358	4.1
145.04941	6.7
145.10127	42.7
147.11700	51.7
149.13242	21.0
151.14836	2.6
155.08603	2.8
157.10133	14.5
159.11707	31.2
161.13284	29.7
163.05986	6.0
163.14816	7.3
169.10120	3.3
171.11688	16.8
173.13268	19.6
175.14839	12.5
177.12692	2.0
177.16370	3.9
180.04001	2.1
181.93509	2.0
183.11685	6.2
185.13287	14.7
187.14861	10.2
196.38869	2.6
196.40778	2.2
197.13272	4.4
199.14807	5.7
201.16438	2.9
203.14319	2.3
207.13332	2.2
211.14803	3.8
213.16454	4.6
215.17987	3.7
217.19539	2.2
229.19542	3.2
231.21077	9.1
239.18022	5.8
241.19545	26.8
243.21184	4.0
257.19003	8.7
259.20581	81.2
261.22186	15.5
271.20267	2.6
277.21716	2.6
289.21716	2.8
315.23062	5.9
331.22696	3.3
333.24249	53.9
335.25797	84.4
337.27686	3.5
367.22812	2.4
519.41895	9.1
541.39587	2.8
593.45630	17.3
611.46765	89.2
612.46936	3.3
701.48016	4.5
755.51312	4.8
759.45020	2.9
970.56433	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	969.5758
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05519	1.9
69.03436	2.9
69.07080	1.4
71.08641	1.1
73.02927	3.5
79.05515	1.7
81.03439	1.2
81.07062	2.5
83.08643	0.5
85.02906	3.5
85.52679	0.5
87.40751	0.5
91.03958	2.7
91.05516	1.4
93.07069	1.1
95.08630	1.6
95.94167	0.5
97.02897	4.6
97.10155	0.6
99.04511	0.7
101.02399	1.4
105.07077	1.5
107.08636	0.7
109.02882	0.6
109.10165	0.7
111.08058	0.6
112.75212	0.5
113.73225	0.5
119.08607	0.9
123.11753	0.6
127.03954	1.2
133.10223	0.5
145.10138	0.6
185.04233	1.1
203.05275	0.7
243.08586	2.1
288.40823	0.6
313.27597	0.8
333.20596	1.5
335.25934	0.9
347.09680	2.3
349.92181	0.5
365.10849	0.6
389.23090	0.6
405.13733	5.2
453.21405	0.7
497.30948	4.1
551.28638	2.9
609.45428	0.8
610.45551	0.9
659.36078	4.9
710.52374	0.6
713.33331	2.4
807.51886	1.1
969.57635	100.0
970.58063	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	968.5943
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	21.5
69.07079	9.9
69.46560	1.5
69.46967	4.0
71.05030	0.8
79.05501	17.9
81.03429	2.2
81.07060	28.2
83.04987	2.5
83.08633	3.0
91.05486	21.0
93.07046	18.8
95.01339	3.0
95.04993	3.5
95.08614	20.0
97.06532	7.4
97.10173	1.5
105.04552	0.8
105.07038	24.7
107.04967	4.7
107.08609	9.7
107.62379	0.7
109.06535	2.8
109.10165	5.4
109.50507	0.7
113.09562	0.7
115.05470	0.9
117.07068	4.5
119.08591	14.4
121.06541	1.3
121.10157	6.6
123.08109	0.9
129.06999	0.7
131.08578	8.5
131.93965	0.9
133.10146	14.6
135.08076	1.2
135.11690	3.5
137.09633	1.6
143.08604	2.1
145.10127	6.8
147.11667	5.8
149.09650	2.4
149.13321	2.4
155.08643	0.9
157.10179	1.0
159.11736	4.1
161.13280	1.9
163.11243	1.5
169.10237	1.0
173.13344	2.6
179.14369	3.4
219.17450	12.2
247.20781	0.9
275.20108	19.3
276.20331	0.9
293.21222	1.3
335.25827	47.6
336.26163	1.0
349.23749	12.3
609.45190	100.0
610.45807	3.8
625.45105	1.0
734.48694	1.0
813.05695	0.9
968.55780	1.0
969.57581	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.5439
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05175	4.6
67.05511	64.8
69.03423	10.7
69.07077	24.4
71.04984	10.5
73.02912	5.5
79.05501	52.8
81.03424	95.8
81.07064	69.7
83.04966	15.0
83.08623	32.4
85.02906	9.2
85.06555	5.6
91.03954	3.5
91.05487	59.9
93.07046	54.2
95.04982	41.0
95.08617	29.2
97.02893	8.8
97.06533	12.9
97.10177	22.3
99.04433	2.9
99.08086	3.9
103.05462	3.0
105.07039	44.2
107.04981	19.2
107.08604	36.4
108.80087	2.3
109.06545	10.8
109.10159	20.8
111.04453	2.7
111.08087	10.5
115.05447	3.9
117.06995	21.6
119.04971	4.5
119.08584	36.9
121.06521	9.9
121.10142	18.1
123.08053	7.7
123.11723	5.3
125.09644	16.5
129.07019	18.8
131.08595	31.2
133.06514	8.8
133.10147	27.0
135.08061	8.9
135.11697	12.6
137.09615	6.6
141.07036	4.1
142.07869	6.0
143.08554	7.7
145.06465	4.1
145.10165	18.3
147.08070	6.2
147.11699	18.7
149.09621	14.0
149.13240	9.8
151.11310	3.4
151.72536	2.2
155.08571	4.2
157.10181	18.4
159.08018	3.4
159.11700	11.8
161.09557	6.5
161.13339	3.1
163.11157	12.7
165.09039	2.7
165.12708	2.7
167.08514	3.7
169.10120	5.6
171.11696	7.0
173.04463	3.3
173.13269	6.0
173.60649	2.2
175.11211	9.1
177.12727	4.3
183.11688	4.0
185.13258	6.9
187.02631	2.5
187.11226	2.7
189.11307	11.0
189.12749	4.3
193.12247	29.4
197.13266	2.9
201.12837	2.7
211.14877	3.4
213.12842	2.5
223.13150	3.0
227.12735	18.2
229.14400	8.0
255.15977	10.8
257.19000	4.9
259.20251	2.5
267.15918	81.8
269.17511	22.3
273.14832	3.6
273.18283	3.4
275.20114	28.4
291.19562	7.5
297.22150	4.1
299.20053	4.6
309.16934	2.5
349.23740	29.0
351.23141	3.2
365.23181	2.9
367.25009	3.4
369.24246	4.8
397.23059	2.5
419.24222	4.2
421.25726	6.6
429.26373	3.2
437.25168	2.8
443.28064	12.5
447.27505	33.9
449.30249	3.4
459.26770	5.1
461.22519	5.4
461.29025	100.0
467.31561	4.3
475.30341	3.8
493.31854	14.0
501.32214	3.4
503.29877	3.5
523.34271	5.4
541.35284	90.5
542.35364	3.1
559.36359	40.8
560.79114	2.6
569.30829	4.4
583.36749	4.2
587.31952	6.3
591.35626	3.4
637.36530	2.7
667.37994	5.0
685.39471	3.2
694.64813	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	964.6207
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	47.1
69.03432	8.4
69.06776	2.1
69.07081	23.6
70.57976	5.0
71.05003	4.6
71.08275	2.9
71.08637	26.6
73.02901	3.4
79.05498	30.6
81.03431	10.9
81.07062	52.2
83.04977	6.1
83.08623	18.7
85.02907	11.1
85.06551	2.2
85.10186	16.4
91.03970	6.6
91.05482	26.1
93.07047	36.3
95.04981	7.8
95.08613	37.5
97.02888	9.3
97.06551	13.2
97.10172	8.4
99.04516	2.3
99.08070	2.8
105.07035	20.7
107.04974	5.0
107.08605	22.7
109.02866	1.8
109.06480	2.3
109.10162	16.7
110.37967	1.6
111.08060	3.1
117.07046	13.6
119.08575	16.0
121.06503	2.6
121.10151	13.2
123.11746	5.5
127.03898	4.4
129.05525	3.3
129.07014	4.0
131.08588	13.3
133.10156	14.2
135.08073	2.8
135.11678	11.6
137.09558	1.9
139.11162	2.3
143.08531	3.0
145.05028	2.3
145.10091	11.2
147.11682	6.8
149.09621	8.4
149.13255	8.0
151.11140	2.0
159.11684	11.5
163.06120	1.8
163.11148	5.2
165.12712	2.2
166.64648	2.4
171.11757	2.3
173.04451	3.6
173.13307	4.1
177.12776	2.9
179.14339	2.1
181.12280	2.9
185.13216	2.8
195.13919	3.8
197.13176	2.2
217.15967	3.1
227.12910	5.2
229.14391	4.3
239.23624	4.2
247.20724	2.7
255.15894	15.9
257.19104	11.3
267.15927	2.4
269.17468	34.6
275.20062	26.8
293.21179	3.2
309.20636	3.1
313.27371	100.0
314.27756	2.9
331.22696	2.2
340.49411	2.1
349.23776	30.1
367.24771	6.9
413.21582	3.7
467.37244	3.6
493.39017	21.3
507.40460	96.4
508.40768	3.3
547.43628	10.2
587.46655	39.5
605.47766	14.8
651.45007	3.4
707.13348	2.5
936.85077	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	956.6305
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	85.1
69.03429	3.0
69.07076	29.4
71.05010	3.2
73.02924	6.3
75.08112	1.8
79.05504	39.4
81.03429	2.4
81.07065	95.2
83.08638	15.8
85.02907	23.1
89.56017	2.3
91.03980	14.1
91.05485	30.0
93.07055	50.0
95.04976	5.4
95.08614	78.9
97.02906	10.7
97.06516	5.1
97.10151	9.3
98.21589	4.7
99.08105	2.4
101.91924	1.9
105.07047	22.5
107.08603	28.8
109.02898	2.0
109.10168	32.8
111.08085	2.4
111.11670	2.1
117.07036	7.9
119.08595	17.3
121.10160	26.2
122.10596	2.1
123.11709	13.3
127.03936	8.8
131.08595	15.5
133.10147	17.6
135.08064	2.4
135.11711	15.5
135.29863	1.9
137.13283	4.1
143.08528	2.5
145.04987	8.3
145.10143	11.5
147.11690	12.2
149.13260	12.0
159.11725	8.0
161.13295	11.1
163.06071	10.8
163.14854	6.9
173.13275	9.8
175.14754	4.1
177.16391	2.5
185.13287	3.9
187.14853	4.6
189.16290	2.2
214.36356	1.8
241.19720	2.9
243.21158	10.2
245.22697	3.7
259.20618	7.7
261.22147	28.7
262.57159	1.8
262.93164	1.8
263.23776	5.8
276.19702	2.1
317.24689	6.2
333.24292	7.0
335.25833	100.0
336.26205	5.6
337.27396	97.2
339.28891	8.1
435.93723	2.1
505.23322	2.1
523.45129	7.2
559.45300	2.3
592.18591	2.0
597.48828	36.2
615.49884	58.3
616.37610	2.2
616.49957	2.3
955.98450	2.4
972.64874	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	961.5858
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	2.9
69.03435	2.9
69.07063	0.6
71.05011	0.6
71.10847	1.1
71.12991	0.4
73.02907	3.4
73.15929	0.5
79.05520	2.1
81.03448	1.2
81.07060	2.9
81.89219	0.5
83.08648	0.6
85.02911	5.3
85.10082	0.5
91.03976	2.3
91.05498	0.9
93.07075	1.5
95.08646	1.7
97.02906	3.7
99.04488	0.7
101.02409	1.0
105.07050	1.1
107.08625	0.9
109.10182	0.6
119.08668	0.7
121.85639	0.5
127.03937	1.1
131.08580	0.5
170.52838	0.4
185.04260	0.9
203.05305	0.8
243.08600	1.7
258.86020	0.5
335.25839	0.8
347.09839	1.6
363.09192	0.5
365.10657	1.0
405.13718	4.6
519.29248	3.8
521.31024	3.0
681.34540	4.6
682.34528	0.8
683.36475	3.8
799.54254	0.9
890.10840	0.5
961.58575	100.0
962.58563	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	943.5219
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.2
69.03444	3.7
71.28693	2.0
73.02921	3.9
74.43064	1.1
79.05515	1.4
81.03434	2.7
81.07068	3.3
85.02919	3.9
91.03965	2.2
91.05496	1.9
92.37517	1.1
95.08627	2.8
97.02923	4.6
101.02399	1.9
105.07037	1.3
119.08560	1.2
127.03915	1.1
133.10143	1.1
243.08528	2.3
283.15402	2.7
304.57809	1.1
347.09671	3.0
357.63995	1.1
405.13754	5.1
415.55408	1.3
451.58264	1.1
501.23264	9.1
521.30743	4.7
559.05743	1.2
663.28485	7.3
683.35437	4.7
725.98206	1.1
781.47095	2.1
943.52380	100.0
944.52838	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	954.6157
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	71.0
69.03450	3.6
69.07072	17.7
70.94254	1.0
71.04991	3.5
71.08649	1.0
73.02914	5.6
79.05499	47.9
81.03400	1.5
81.07064	78.1
83.04990	1.7
83.08624	12.2
83.94092	0.7
85.02429	1.3
85.02911	20.3
85.04079	0.9
85.06573	1.8
91.03955	12.3
91.05486	33.0
93.07051	54.9
95.04969	4.3
95.08614	61.3
96.04460	1.3
96.29143	0.8
97.02908	10.1
97.06522	3.1
97.10164	3.1
99.04459	1.1
99.08108	1.8
105.04551	2.0
105.07042	26.9
107.08603	33.5
109.02849	0.8
109.06506	1.4
109.10165	29.1
110.90134	0.8
111.08072	2.1
115.03980	0.9
117.07020	9.3
119.08578	20.6
121.10158	26.9
121.11044	1.4
123.08066	1.2
123.11716	9.6
125.09641	1.7
127.03931	6.2
127.11179	0.8
129.07011	2.8
131.08566	19.3
133.10143	19.6
135.11703	17.7
137.09637	1.1
137.13245	3.3
139.11237	0.9
143.08574	3.2
145.04988	7.0
145.10120	14.3
147.11691	14.4
149.09645	0.9
149.13275	12.7
151.14867	1.0
157.10147	2.7
159.11693	11.5
161.13272	11.3
163.06047	7.1
163.14827	6.1
171.11688	2.9
173.13307	10.7
175.14819	4.4
177.16425	2.5
185.13297	2.3
187.07242	0.7
187.14812	4.5
189.16382	1.6
191.14398	0.9
193.59093	0.7
197.13281	0.9
199.14774	2.6
201.16396	2.5
203.18013	1.8
205.15948	0.9
211.14835	0.8
213.16388	1.5
215.18027	1.7
225.16321	1.2
231.17563	1.3
231.21230	1.0
233.22641	1.2
241.19643	3.8
243.21120	6.0
257.19214	1.7
257.22577	0.8
259.20587	9.3
261.22177	21.7
263.23749	2.1
279.23093	1.1
287.23730	1.0
299.23660	1.0
317.24731	4.5
321.24161	1.0
331.26678	0.9
333.24283	8.7
335.25824	100.0
336.26199	2.2
337.27390	12.8
369.24899	0.9
521.43500	3.2
539.44238	1.7
543.40192	1.1
595.47266	20.8
595.56854	1.3
596.47400	0.9
613.38965	1.5
613.48340	25.1
614.48328	1.0
647.02313	0.9
694.78857	0.8
764.07562	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	4.3
68.98342	0.7
69.03445	3.9
69.07063	1.1
73.02921	3.6
79.05493	2.3
81.03425	2.0
81.07066	3.4
85.02917	6.7
87.04441	0.8
91.03954	3.8
91.05484	1.7
93.07044	2.0
95.04999	0.9
95.08622	2.1
97.02893	6.5
98.20708	1.5
101.02383	2.5
105.07053	1.4
107.08572	1.0
109.10172	3.0
110.19547	0.8
119.08596	1.4
127.03928	2.7
135.11740	0.8
185.04262	0.9
195.10175	0.9
217.57237	0.7
229.31830	0.8
243.08417	1.8
268.88959	0.7
347.09735	2.3
365.10526	1.5
405.13739	5.4
413.17737	4.5
413.51871	0.8
519.29248	7.7
552.77234	0.9
574.33032	0.9
575.23169	3.6
681.34467	11.0
691.39606	1.9
755.41626	1.7
773.39307	1.0
839.44177	1.1
853.45544	100.0
854.46442	5.4
925.48413	1.6
943.48419	20.2
944.48206	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	4.7
69.03440	4.2
70.99077	1.9
70.99437	1.2
73.02920	3.5
79.05500	3.4
81.03436	1.6
81.07079	2.6
84.51297	0.9
85.02909	7.0
89.69556	1.0
91.03970	3.8
91.05481	2.4
92.96245	1.0
93.07040	4.6
95.08624	2.5
96.59039	0.9
97.02891	6.5
99.04460	1.3
101.02402	2.2
107.08628	1.7
109.02878	1.3
118.06656	0.9
119.08607	1.0
121.10161	1.6
127.03944	2.1
131.08710	0.9
135.11702	1.1
153.19576	1.0
185.04222	1.2
243.08612	2.1
267.12149	1.4
347.09573	1.6
349.36475	1.1
363.09421	0.9
365.10803	1.3
405.13504	5.3
432.42007	0.9
443.19089	1.2
485.20074	2.7
519.29230	6.0
629.80249	1.0
647.25360	2.5
665.27039	1.3
681.34674	7.7
755.40948	1.9
925.47601	7.0
943.48688	100.0
944.48407	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	941.5083
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	2.7
69.03429	3.4
69.07063	0.5
70.18401	1.3
71.01381	0.6
71.04993	0.7
73.02921	4.1
79.05499	2.6
81.03437	2.1
81.07063	2.9
85.02909	5.8
87.04488	0.4
91.03960	4.1
91.05485	1.8
93.07054	1.9
95.04993	0.7
95.08617	2.3
95.89091	0.3
97.02894	5.3
97.06554	0.6
98.20859	0.5
99.04485	0.6
101.02405	1.4
103.03957	0.5
105.07049	1.7
107.08636	1.2
109.02914	0.9
109.10203	0.4
115.03931	0.4
119.08600	0.8
121.10175	1.2
127.03957	1.9
131.08630	0.5
133.10207	0.7
145.04990	0.5
147.11746	0.7
149.09717	0.6
151.06253	0.4
163.72429	0.4
164.48132	0.3
185.04330	1.1
193.12311	0.4
203.05261	0.9
243.08536	2.2
283.15176	3.1
314.67914	0.4
335.25763	0.4
339.17984	0.8
347.09500	2.1
363.09149	0.8
365.10739	0.9
405.13724	5.4
427.70099	0.4
501.23096	5.2
508.20520	0.5
519.29388	6.4
519.36230	0.7
647.90100	0.4
663.28339	4.1
681.34503	7.0
779.45483	1.8
868.26190	0.4
941.50830	100.0
942.51276	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	938.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	6.7
66.31498	4.1
67.05181	6.5
67.05515	100.0
67.05871	4.8
69.03419	10.0
69.07080	32.6
71.04996	7.1
71.54939	7.1
79.05504	78.9
81.03413	13.7
81.07063	88.5
83.05000	9.5
83.08620	12.6
85.02915	29.1
91.03964	14.0
91.05492	55.4
93.07052	89.4
93.34955	3.9
95.04958	12.0
95.08616	66.8
97.02895	23.4
97.06519	14.9
97.10143	12.9
99.18837	4.7
105.04525	5.9
105.07037	34.6
107.04944	8.5
107.08594	54.1
109.06541	7.5
109.10166	35.0
110.33230	3.9
111.04439	9.9
111.08105	6.8
113.46581	4.0
113.48190	4.5
117.07000	20.6
119.08608	39.8
121.06533	6.1
121.10156	47.1
123.11720	9.8
125.09628	11.7
127.03927	7.5
129.07027	4.8
130.07779	4.9
131.08582	30.5
133.10130	26.9
135.08018	7.0
135.11732	25.2
139.11134	7.7
145.10129	28.5
147.11697	12.5
149.09644	8.1
149.13223	9.8
155.08678	4.6
157.10085	7.1
159.11691	11.4
161.13281	6.4
163.05994	10.4
163.11211	11.8
173.09648	6.8
173.13290	8.5
175.14793	6.8
181.12183	7.2
183.11694	7.0
185.13226	4.6
191.10707	11.0
209.11739	48.3
227.12772	12.6
229.14375	8.6
241.14346	10.3
243.21040	7.1
259.20459	6.2
261.22144	17.4
283.15375	26.6
285.22498	5.2
301.16513	59.3
301.21643	9.3
303.22977	4.0
315.23264	7.7
333.24176	5.7
335.25873	79.6
405.13428	4.9
433.30591	7.1
451.32074	8.2
469.33002	5.6
487.34030	10.8
501.35815	9.3
525.35675	12.2
534.41125	5.0
543.36981	58.5
561.37909	81.6
562.38513	5.4
579.38812	11.6
836.81848	4.5
872.95612	4.5
920.79114	4.9
938.58002	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5862
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	2.3
67.08192	0.2
69.03432	3.0
69.07073	0.6
71.01354	0.5
71.05021	0.3
71.08641	0.8
71.38746	0.3
71.39119	0.2
73.02924	3.6
79.05505	1.2
81.03422	1.6
81.07059	2.1
83.08625	0.6
85.02909	5.3
85.10199	0.3
87.04497	0.4
91.03963	3.8
91.05504	0.5
93.07038	1.4
95.04953	0.3
95.08615	1.6
97.02899	5.2
97.10182	0.4
99.04482	0.8
101.02384	1.8
103.03999	0.4
103.28143	0.2
105.07066	0.5
106.21140	0.3
107.08658	0.7
109.02871	0.6
109.10197	0.9
115.03929	0.4
121.10172	0.5
127.03929	1.5
132.17830	0.2
135.11740	0.4
145.04971	0.4
183.42734	0.3
185.04260	0.8
203.05289	1.0
243.08389	2.0
296.23770	0.3
313.27615	0.3
347.09552	2.1
363.09045	0.5
365.10849	1.2
387.92197	0.3
405.13672	5.3
405.18478	0.3
497.30951	3.0
519.29370	4.9
659.36194	2.9
681.34583	5.6
731.18878	0.4
775.53979	1.2
921.21893	0.3
937.58630	100.0
938.58801	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	936.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.9
67.05508	62.4
69.03420	3.7
69.06778	1.3
69.07065	14.0
69.76748	3.0
69.77161	4.5
71.04991	5.9
73.02913	2.3
79.05495	43.1
81.03419	74.2
81.07059	66.2
83.05000	6.9
83.08621	22.2
85.02902	7.7
85.06555	2.8
91.03951	5.5
91.05484	34.6
93.07048	53.0
95.04978	25.4
95.08610	43.9
97.02881	5.6
97.06530	3.4
97.10167	7.8
99.08060	1.5
105.04508	1.9
105.07036	25.6
107.04945	6.5
107.08600	28.9
109.06517	5.0
109.09462	2.0
109.10152	21.3
111.04449	1.9
111.08100	8.7
115.05404	1.7
117.07035	8.3
119.04932	2.7
119.08580	22.1
121.06504	5.2
121.09324	2.0
121.10140	25.2
123.04438	2.8
123.08064	4.5
123.11714	7.6
125.09612	5.9
129.07019	11.6
131.08568	18.6
133.06487	2.9
133.10138	15.5
135.08040	2.9
135.11691	15.7
137.05968	1.6
137.09613	3.3
143.08560	3.3
145.04956	2.2
145.06512	2.3
145.10107	11.7
147.08060	3.2
147.11711	14.0
149.09605	7.0
149.13258	5.3
157.10104	9.5
159.11707	8.6
161.13254	4.7
163.06061	6.6
163.11185	2.1
163.14830	3.0
165.12782	2.2
171.11693	3.5
173.13271	6.5
175.11212	8.1
175.14844	3.0
177.12759	1.7
185.13312	1.7
187.14812	4.4
189.11188	2.6
193.12248	21.5
201.16359	2.0
213.16463	1.6
222.20766	1.6
225.92065	1.5
227.12744	8.8
235.13205	3.0
243.21053	6.0
249.14865	2.2
261.22195	24.4
267.15921	94.9
285.22214	1.8
299.23773	1.7
301.14365	3.6
301.25211	9.1
309.16867	6.3
317.24951	3.2
335.25818	100.0
336.26096	2.8
417.26318	1.8
421.25601	3.5
432.70822	2.0
435.27429	2.2
435.32651	4.7
441.42480	1.9
449.28937	2.4
453.33658	10.4
459.26419	1.6
471.34576	3.5
509.36719	2.2
527.37372	77.0
528.37531	3.8
545.38373	78.6
546.38599	3.9
559.39948	3.0
569.38525	13.9
611.39490	2.4
623.38708	2.7
635.39148	3.5
653.39966	3.3
671.41425	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	936.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	6.6
67.05508	79.6
69.03452	11.6
69.06741	2.1
69.07076	32.3
71.01337	2.9
71.05002	12.4
71.55161	3.8
73.02922	4.3
79.05496	76.2
81.03423	89.3
81.07063	99.5
83.04989	30.6
83.08620	36.1
85.02906	43.2
85.06538	5.4
91.03955	6.5
91.05488	84.5
93.07050	69.5
95.04975	44.0
95.08610	37.0
97.02892	14.2
97.06544	20.9
97.10167	18.1
99.04442	3.9
99.08083	4.0
103.05462	2.7
105.04507	3.7
105.07038	62.8
107.04971	18.0
107.08601	42.9
109.02878	2.4
109.06502	9.9
109.10156	15.8
111.04436	5.1
111.08076	16.6
113.06020	4.2
115.05400	4.0
117.07028	22.5
119.04977	2.9
119.08583	54.4
121.06524	9.1
121.10154	31.0
123.08070	8.2
123.11690	6.9
125.05963	2.1
125.09618	7.4
127.03918	7.9
128.06227	3.2
129.05530	2.9
129.07034	20.1
129.45154	2.0
131.08574	34.9
133.06493	6.0
133.10139	32.5
135.08101	4.4
135.11700	12.9
137.09575	3.9
141.06998	2.6
142.07819	3.2
143.08601	6.7
145.04973	3.5
145.06503	2.7
145.10106	15.7
147.08008	4.8
147.10651	2.9
147.11700	31.3
149.09627	22.9
149.13266	12.0
151.11125	2.6
155.08511	4.0
157.10150	28.2
159.11710	13.3
161.01099	2.0
161.13315	3.4
163.06001	3.6
163.11177	9.2
165.12730	7.0
169.10089	2.4
171.11696	4.2
173.04442	6.0
173.13329	3.3
175.11174	14.6
177.12692	3.9
189.11171	5.5
189.12766	4.2
193.10435	3.4
193.12244	53.9
195.13741	5.7
211.13287	76.9
227.12801	14.2
229.14159	2.8
239.17964	5.7
245.14078	2.5
255.15863	11.4
257.19138	11.6
267.15927	48.7
269.17490	31.0
275.20065	38.0
285.14059	4.1
285.17001	78.6
293.21103	2.8
310.14410	2.4
310.93842	2.4
331.22531	3.9
349.23767	37.8
367.24872	3.0
386.48941	2.5
439.27011	3.2
443.27878	4.1
447.27771	12.9
455.26379	3.7
461.29047	35.5
465.28638	15.8
479.30106	100.0
480.30423	4.6
509.74084	2.8
519.32831	3.0
541.35284	25.3
559.36401	64.6
560.36871	4.8
577.37714	14.2
623.34100	6.3
721.41602	3.2
806.32178	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	933.557
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	1.3
67.05508	14.8
69.03428	7.7
69.07077	8.3
71.01358	1.0
71.04995	1.5
71.08640	2.4
73.02927	8.4
79.05505	9.9
80.21150	0.8
81.03420	3.8
81.07059	15.5
83.04999	1.9
83.08611	3.7
85.02906	21.8
85.10175	1.2
87.04459	1.2
91.03958	11.8
91.05049	0.9
91.05494	9.6
93.07046	10.7
95.08607	13.3
97.02888	18.2
97.06530	1.4
97.10144	2.3
99.04452	1.6
101.02386	2.7
105.07036	8.8
107.08608	8.2
109.02871	1.6
109.06543	1.6
109.10160	5.4
115.03966	1.2
117.07022	3.9
119.08580	8.8
121.10155	5.6
123.11680	1.8
125.09646	1.0
127.03906	4.6
128.06245	1.4
129.06999	6.9
131.08588	7.5
133.10124	6.1
135.11700	3.6
137.13239	0.8
138.04688	0.9
141.06973	2.1
142.07768	1.3
143.08586	9.9
145.04944	3.5
145.10133	6.8
147.11736	4.5
149.09573	0.8
149.13287	1.9
151.04065	1.1
155.08556	6.4
156.09344	1.4
157.10130	8.0
159.11740	5.7
161.13258	1.7
163.06041	1.1
167.08606	3.5
169.10124	7.5
171.11688	6.4
173.13228	3.6
179.08521	1.5
180.09163	1.0
181.10167	5.3
182.10895	1.1
183.11696	8.5
185.13290	5.3
187.14833	2.2
193.10175	2.8
195.11703	4.9
197.13307	6.1
199.14830	4.3
205.10101	0.9
207.11687	3.1
209.13293	4.9
211.14832	3.2
213.16469	1.7
219.11630	1.2
221.13251	2.3
223.14873	2.7
225.16290	2.3
227.17923	1.2
235.14722	1.4
239.17932	1.8
251.17892	1.1
261.16473	1.0
261.22198	1.6
265.19476	1.2
275.18048	1.1
305.22748	0.9
313.27243	3.8
314.27673	2.4
323.23688	1.2
335.26114	4.1
336.26123	3.0
337.25366	1.3
349.25281	1.5
511.34271	1.3
517.40497	3.9
521.35602	0.9
525.35663	1.1
535.40869	2.4
539.37457	1.3
574.48962	1.7
591.43909	4.3
607.43616	2.3
609.45160	100.0
610.45032	5.6
621.44867	2.5
623.46051	1.1
633.44440	1.0
651.45746	1.5
675.45251	1.7
699.45435	1.2
717.46826	1.7
735.48273	1.8
753.48785	3.3
771.50452	26.4
772.50281	2.0
933.55957	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	932.6313
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.9
67.05511	36.6
69.03429	2.6
69.07072	12.3
69.85850	2.4
69.86265	1.8
71.04989	1.7
71.08639	23.0
73.02915	4.5
73.36754	0.8
75.45750	0.7
79.05499	23.4
81.03431	1.2
81.07066	45.2
83.04495	0.8
83.04977	1.2
83.08622	12.3
85.02910	14.3
85.06519	0.9
85.10187	12.6
85.10674	1.4
85.32748	0.7
89.06039	1.0
91.03968	12.1
91.05486	11.7
93.07055	26.3
95.04993	1.5
95.08615	42.0
97.02908	9.7
97.06538	2.0
97.10181	6.4
99.04458	1.3
99.08086	0.9
105.07050	10.4
107.08601	16.1
109.02913	1.2
109.10164	20.1
111.08085	1.4
111.11723	1.3
117.07028	4.3
119.08588	8.1
121.10153	14.1
123.08089	0.8
123.11714	6.5
127.03933	6.0
131.08583	7.3
133.10149	7.2
135.11708	12.1
137.13246	2.7
145.04976	5.8
145.10121	7.0
147.11714	4.6
149.13292	6.8
151.14809	1.0
159.11708	4.5
161.13293	4.0
163.06018	6.1
163.14861	5.2
173.13272	4.8
175.14891	2.4
175.30853	0.7
177.16348	1.0
178.95706	0.9
187.14873	2.3
201.16364	1.3
201.84523	0.7
215.17915	0.8
215.96530	0.8
235.37906	0.8
239.23671	3.2
243.21112	9.6
252.43985	0.9
257.24838	2.4
261.22171	36.3
290.80716	0.8
313.27390	100.0
314.27765	2.5
317.24734	5.3
335.25818	82.4
336.26303	1.1
499.45135	1.5
573.48816	39.4
574.48596	0.8
591.49860	7.0
884.09186	0.8
914.07520	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	3.4
69.03440	3.7
69.07083	0.8
70.88577	0.6
71.01369	0.5
71.05007	2.4
72.91207	0.3
73.02927	4.2
78.56892	0.3
79.05502	1.8
81.03435	1.7
81.07068	4.3
83.04985	0.6
83.08629	0.5
85.02919	5.7
85.06558	0.4
91.03964	3.8
91.05508	1.7
93.07063	2.8
95.04992	0.4
95.08611	1.8
97.02898	5.3
97.06567	0.6
99.04487	0.5
101.02357	1.7
105.07046	1.1
107.08609	1.5
109.02936	0.6
109.10177	1.0
114.04679	0.3
117.07057	0.4
121.10159	0.6
123.11697	0.7
123.37646	0.3
127.03901	1.8
131.08626	0.6
133.10178	1.7
135.11700	0.6
145.04968	0.4
149.13315	0.6
151.11214	0.5
159.11685	0.4
161.13327	0.3
183.13771	0.5
185.04266	1.0
186.96809	0.6
187.13321	0.7
203.05348	1.0
243.08423	2.5
243.16010	0.5
267.15872	1.0
305.08636	0.3
323.18329	0.6
335.25998	0.4
347.09656	2.1
365.10745	0.9
405.13742	5.6
413.18265	0.6
453.21237	0.5
473.20013	0.5
485.23575	6.7
487.21249	0.4
519.29388	4.1
525.03455	0.4
585.29321	1.0
615.27020	0.4
647.28925	5.6
663.86511	0.4
681.34540	4.1
763.46051	1.3
925.51361	100.0
926.51782	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	925.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	2.8
69.03418	3.3
71.04994	2.2
73.02911	3.5
79.05476	1.5
81.03442	1.9
81.07045	3.5
85.02920	5.2
87.04443	0.9
91.03959	1.8
91.05481	2.1
92.04607	1.0
93.07080	1.5
95.08608	1.0
97.02901	4.6
101.02364	1.8
105.07009	1.1
121.42358	0.8
127.03912	1.3
131.08569	1.2
148.59581	1.0
185.04228	2.0
226.38503	0.9
229.40005	0.9
238.07895	1.0
243.08371	2.2
347.09521	2.6
405.13525	5.3
485.23346	2.8
519.29230	3.0
585.28644	3.1
647.28986	4.1
681.34991	5.0
763.45758	1.4
854.81854	1.1
877.02679	1.1
925.51178	100.0
926.51654	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	925.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	3.7
69.03432	3.9
69.07084	1.0
71.01366	0.6
71.05008	1.4
73.02924	4.3
79.05501	2.7
81.03442	1.5
81.07059	4.5
83.04985	0.5
83.08622	0.5
84.05560	0.3
84.98414	0.4
85.02912	6.9
87.04467	0.4
91.03960	4.4
91.05483	2.2
93.07059	2.7
95.08608	1.8
96.78870	0.3
97.02899	5.6
98.20737	1.0
99.04486	1.0
101.02402	2.0
105.07066	1.1
107.08620	1.3
109.02916	0.9
109.10161	0.7
111.08100	0.4
117.07072	0.4
119.08626	0.4
121.10178	1.3
123.11786	0.5
127.03962	1.5
131.08661	0.8
133.10176	1.4
135.11674	0.7
145.10159	0.6
149.13303	0.5
151.11148	0.6
164.39796	0.4
185.04265	1.1
203.05305	0.7
236.19240	0.4
243.08487	2.2
267.15732	1.2
293.15475	0.4
335.26157	0.6
347.09540	2.4
365.10721	1.0
405.13687	5.2
453.21515	0.4
485.23581	4.5
486.24310	0.4
519.29364	5.2
585.28595	0.4
647.29053	3.1
681.34515	7.0
763.46259	1.2
925.51337	100.0
926.51605	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	925.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	6.0
69.03434	5.7
69.07079	1.9
71.04994	1.6
71.55359	1.2
73.02929	5.9
79.05504	3.3
81.03426	2.1
81.07072	4.7
85.02911	8.8
87.04498	1.2
91.03960	4.6
91.05499	2.7
93.07065	3.5
95.08607	4.2
97.02904	8.0
99.04461	1.1
101.02386	3.0
105.07057	3.4
107.08601	2.1
109.02870	0.9
109.10178	3.0
111.04454	0.9
121.10148	0.9
127.03925	3.3
131.08618	1.6
135.11781	1.3
165.82602	0.8
184.50839	0.8
185.04272	1.6
195.09950	0.9
203.05457	1.2
243.08528	3.1
267.12085	1.3
285.33694	0.9
347.09760	2.1
365.10818	1.3
365.23032	1.3
405.13651	5.2
413.17953	2.5
441.17441	2.0
469.32114	0.9
485.20129	2.6
519.29193	5.2
583.31024	1.8
603.23047	1.2
647.24866	2.5
655.33105	1.1
660.02704	1.0
681.34650	7.4
755.41913	23.9
763.41510	1.6
783.44739	1.4
907.47021	2.6
925.47607	100.0
926.47308	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	923.446
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	0.3
67.05502	1.7
69.03434	3.9
69.07082	0.6
70.82722	0.3
71.04998	1.6
73.02925	3.3
79.05489	2.9
80.70084	0.3
81.03420	4.4
81.07058	2.9
83.04995	0.9
83.08650	1.1
85.02914	5.4
85.06550	0.5
86.09738	0.3
87.04519	0.8
91.03954	2.8
91.05486	3.0
93.07050	2.3
95.04957	1.9
95.08630	0.9
97.02902	5.4
97.06550	0.6
98.97589	0.3
99.04498	1.0
101.02401	1.4
102.19687	0.3
105.07053	1.7
107.04962	0.7
107.08626	1.4
109.02917	1.3
109.06564	0.4
109.10213	0.5
111.04446	0.3
111.08138	0.4
115.03941	0.6
119.08603	1.6
121.06509	0.3
121.10146	2.0
125.18112	0.3
127.03956	1.2
129.07048	1.1
131.08533	2.2
133.10159	1.6
135.51889	0.3
137.06023	0.9
147.11711	1.5
149.09628	2.4
157.10172	1.0
164.48981	0.3
167.07089	0.4
175.11319	0.7
188.73891	0.3
192.41821	0.3
193.12228	2.3
197.15280	0.3
203.05428	0.5
211.13440	0.4
214.97824	0.4
225.14926	0.7
229.14537	0.4
243.08327	2.3
249.15038	0.3
267.15979	1.6
267.38498	0.3
269.12454	0.4
283.15204	3.8
283.17575	0.3
311.78110	0.3
312.06049	0.3
339.17886	1.6
347.09610	2.9
363.09167	0.4
365.10773	0.9
387.12210	0.3
405.13660	6.9
405.18555	0.5
451.19943	0.4
469.20639	0.8
501.23102	19.9
502.23590	0.7
576.97546	0.3
599.34534	0.6
603.25769	0.5
663.28381	17.4
664.28674	0.8
761.39252	3.0
923.44611	100.0
924.44977	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	925.45
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	3.1
69.03429	2.1
69.07046	0.7
71.55723	0.9
71.95261	1.5
73.02925	1.8
77.92825	0.6
79.05510	2.1
81.03428	1.9
81.07066	3.0
84.96075	1.0
85.02914	3.6
91.03988	2.4
91.05502	1.8
93.07064	2.1
95.04959	0.9
95.08623	1.8
97.02918	3.8
98.97597	8.1
101.02375	1.1
107.08625	1.7
109.02875	0.7
109.10182	1.2
110.97604	1.7
112.99168	2.0
116.98631	2.7
121.10166	1.0
124.99139	0.8
127.03945	1.4
128.98642	2.3
131.00159	3.8
140.00175	0.8
140.98663	1.0
143.00200	2.7
144.51782	0.7
149.01254	2.7
152.98534	0.7
153.02301	0.8
158.99655	4.4
161.01294	1.6
167.03911	0.9
170.99651	3.7
173.01257	1.3
177.00757	3.6
185.01265	1.5
185.04808	0.7
189.00835	2.6
191.02388	1.2
199.02878	1.0
201.00786	1.4
203.02335	1.8
213.00793	0.7
215.02509	0.7
217.03990	0.6
219.01849	2.7
223.10066	1.5
233.03404	1.1
237.02971	1.2
239.09674	1.4
241.11182	11.3
241.13554	0.8
249.08025	0.9
259.12247	9.0
261.02850	1.1
264.12820	0.8
267.09033	6.2
275.04465	1.4
277.06061	1.9
279.03937	1.4
281.10782	2.2
283.08673	1.3
285.10098	9.4
293.05490	4.3
299.11600	0.6
301.09772	0.7
303.11182	3.9
308.11847	1.0
309.10300	1.4
311.06650	0.7
317.17908	9.4
319.19501	4.1
323.11734	0.9
327.11292	1.7
335.19098	3.2
341.12689	2.8
358.20868	1.1
359.19501	0.7
362.36053	0.7
373.20575	1.2
383.14145	1.3
391.21603	1.3
439.97418	0.8
483.25540	0.6
485.16956	3.7
503.18253	1.7
531.17773	0.7
639.15717	0.7
647.22345	15.6
697.32123	0.8
763.39075	2.9
843.36108	0.7
925.45123	100.0
926.45367	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	920.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	2.3
67.05511	52.5
68.05798	0.8
69.03423	2.6
69.07079	9.1
71.05001	15.2
71.29652	0.9
71.29996	0.9
73.02915	2.2
73.06580	0.7
77.03964	0.6
79.05501	29.3
79.05968	1.4
81.03425	2.0
81.07062	75.2
83.04989	3.1
83.08627	7.1
85.02909	9.1
85.06558	6.7
91.03963	4.8
91.05490	22.6
93.07049	32.8
95.04971	4.2
95.08611	23.2
97.02914	5.3
97.06533	3.9
97.10174	1.6
99.08115	0.8
105.04524	0.7
105.07042	13.6
107.08603	18.1
109.06514	1.7
109.10159	11.2
109.56044	0.7
111.08082	1.3
112.22120	0.7
115.05381	0.7
117.07020	4.2
119.08590	8.2
121.10152	12.9
123.08100	1.1
123.11713	11.2
125.09617	1.4
127.03943	1.9
129.07039	1.1
131.08585	7.7
133.10143	16.2
135.11696	7.6
143.08537	0.9
144.56474	0.6
145.04979	1.8
145.10120	3.8
145.36349	0.8
147.11707	2.9
149.09729	0.8
149.13281	4.8
151.11162	4.5
153.12717	0.7
157.10199	1.3
159.11725	4.8
161.13295	1.3
163.06093	2.6
163.11250	0.9
163.14940	0.8
169.12186	1.4
171.11713	1.2
173.04420	0.7
173.13312	1.8
175.14857	1.0
183.13821	1.8
187.13339	2.5
187.14813	1.0
195.13808	1.5
201.14728	0.8
224.87761	0.7
227.16528	1.0
229.14398	1.3
243.15996	0.9
243.21182	0.7
253.18008	0.8
257.17462	1.5
261.22192	2.1
269.17471	5.9
301.20139	9.5
311.27478	0.8
332.91739	0.7
335.25824	22.8
349.63504	0.7
361.27255	0.8
411.32471	1.0
437.33701	1.1
485.36267	2.4
503.37347	68.1
504.37585	2.8
511.38190	0.9
517.39178	2.8
520.27417	0.9
529.38873	15.5
547.40173	1.4
561.41553	100.0
562.41675	4.2
647.42346	1.1
705.45520	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	920.559
Annotation	Unknow
Peak:m/z	Relative Intensity
64.31971	0.7
65.03933	2.5
67.05511	65.9
68.87395	0.9
69.03429	3.3
69.07074	11.1
69.88297	1.5
69.88683	1.8
70.03980	0.7
71.04651	1.3
71.05000	17.4
73.02911	2.7
79.05501	32.7
81.03423	3.1
81.07063	83.9
83.04984	4.7
83.08627	10.2
85.02910	11.2
85.06554	6.2
87.04474	1.2
91.03974	6.2
91.05487	28.6
93.07051	38.2
95.04982	2.9
95.08615	26.6
97.02894	6.5
97.06534	5.8
97.10174	4.3
99.04441	1.2
99.08131	1.1
102.14889	0.7
105.04521	1.5
105.07035	15.4
107.07878	1.1
107.08598	21.7
109.06530	2.1
109.10165	19.4
111.08094	2.7
117.07021	4.9
119.08586	9.4
121.10156	15.3
123.08020	1.1
123.11708	12.9
125.09636	3.0
127.03920	2.8
131.08588	9.8
133.05450	0.8
133.10132	19.6
135.08162	0.9
135.11703	10.0
137.09645	1.1
137.13280	0.9
140.63306	0.7
143.08598	0.9
145.04956	1.9
145.10115	5.2
147.11702	4.6
149.09706	1.0
149.13240	6.4
151.11185	6.8
153.12741	1.1
155.10634	0.9
157.10202	1.0
157.76872	0.8
159.11700	7.3
161.13332	2.6
163.06056	2.0
163.11194	1.6
163.14807	1.0
166.60088	0.9
169.12309	1.3
173.11761	2.4
173.13298	4.5
175.14925	0.9
177.12791	1.6
180.08554	0.7
183.13885	2.0
185.13350	1.7
187.13335	3.7
187.14854	1.5
195.13829	0.9
197.13280	0.8
199.13272	1.1
201.14885	1.6
209.11685	1.0
223.96617	0.8
227.16505	2.8
229.14380	7.2
241.19646	0.9
243.21001	1.0
253.17996	1.6
257.17548	1.8
259.20663	1.5
261.22269	2.7
261.99469	0.7
269.17447	6.6
301.16678	1.4
301.20056	22.0
333.24179	1.0
335.25839	19.0
399.23831	2.5
411.32761	1.0
429.34052	1.0
437.34244	1.8
485.36188	5.2
503.37335	82.4
504.37720	2.5
511.37863	2.6
517.38934	3.4
529.38953	31.2
530.39392	1.3
547.40491	1.6
553.33929	1.4
561.41553	100.0
562.42041	4.8
705.46246	1.1
723.43707	1.3
920.49030	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	920.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	3.5
65.22279	1.5
67.05511	71.8
69.03434	6.8
69.07076	17.2
71.01349	1.4
71.04999	3.6
73.02905	3.8
79.05499	54.3
79.05972	2.6
81.03423	12.6
81.06582	3.3
81.07062	63.0
83.04992	14.2
83.08628	14.0
85.02920	17.3
85.06550	5.0
90.31512	1.4
91.03962	9.9
91.05481	40.1
93.07052	57.5
95.04977	10.8
95.08615	45.5
96.08954	1.6
97.02898	15.3
97.06544	8.1
97.10169	7.2
99.04471	3.6
105.07034	28.6
107.04976	9.3
107.08604	34.8
109.02872	2.8
109.06522	5.2
109.10163	29.8
111.04466	10.7
111.08092	4.6
117.07032	12.1
119.08593	24.5
121.06481	7.1
121.10142	23.4
123.08064	2.8
123.11722	6.0
125.05989	1.8
125.09639	4.9
127.03915	3.9
129.05484	2.6
129.07002	6.3
131.08571	18.0
133.06520	2.3
133.10133	17.4
135.08064	3.6
135.11699	19.7
137.09621	2.7
137.39642	1.5
143.08572	4.9
145.04967	4.5
145.10133	21.6
147.08092	2.8
147.11717	9.7
149.09641	4.3
149.13274	7.5
151.11214	3.6
153.12762	2.4
155.08551	4.1
157.10159	4.2
159.08136	1.5
159.11710	8.9
161.13269	6.0
163.06082	4.7
163.11234	13.8
163.14888	2.2
169.10141	2.2
171.08000	1.9
171.11761	4.8
173.09610	6.6
173.11786	3.1
173.13280	6.0
175.14853	2.1
181.12250	3.5
183.11636	1.6
185.13287	2.2
187.14883	3.2
191.10663	6.6
193.12256	3.0
201.16205	1.5
209.11722	24.3
223.14847	1.6
227.12747	10.7
229.14296	9.6
243.15901	2.2
243.21117	5.0
253.14368	3.8
259.20581	3.2
261.22183	10.7
267.15964	3.3
273.22122	4.1
275.20071	1.9
283.15436	57.3
285.16812	2.7
289.21878	1.6
295.19696	1.3
301.16476	17.8
313.21661	2.0
317.24585	1.8
333.24411	2.8
335.25836	75.8
336.26373	2.4
373.23621	1.9
383.24359	2.1
405.31274	2.1
423.32550	2.1
433.30878	5.4
451.32175	12.7
469.33188	10.7
487.34296	1.8
507.34744	2.3
515.37305	2.6
525.35828	20.1
543.36841	100.0
544.36969	5.7
558.88275	1.7
561.37860	30.6
562.38281	2.1
593.36743	4.2
687.40997	2.2
734.68402	1.7
920.47778	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5241
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.4
69.03431	2.4
69.07075	0.6
71.01367	0.6
71.05013	0.8
71.08632	1.0
71.25401	0.5
73.02925	3.3
79.05495	1.4
81.03426	2.6
81.07055	2.0
83.04974	0.4
83.08632	0.9
85.02917	5.1
85.03426	0.3
85.10175	0.5
87.04475	0.4
91.03962	2.5
91.05504	1.3
93.07063	0.7
95.04987	0.5
95.08614	1.5
97.02902	4.1
99.04464	1.0
101.02379	1.8
105.07061	1.0
107.05016	0.3
107.08621	0.5
109.02892	0.9
109.10185	0.8
111.08136	0.3
115.03949	0.3
119.08643	0.5
121.10188	0.8
127.03905	1.3
129.07014	0.6
131.08603	0.7
133.10155	0.5
147.11757	0.5
149.09662	1.2
157.10165	0.6
175.11285	0.3
185.04315	0.8
186.06065	0.2
187.11151	0.2
193.12305	0.6
203.05327	0.6
207.94234	0.3
243.08394	1.7
267.16058	0.6
283.15131	2.2
313.27481	0.7
339.17993	1.0
346.58127	0.2
347.09451	2.6
363.09012	0.3
365.10587	1.4
405.08487	0.3
405.13675	5.8
469.20706	0.6
497.30872	5.0
497.37866	0.4
501.23111	9.0
501.30460	0.5
502.23447	0.5
595.41779	0.3
659.36060	5.7
663.28345	8.2
664.28998	0.4
757.46832	2.3
919.52405	100.0
920.52832	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	918.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05421	12.7
67.05824	1.4
69.03352	2.6
69.06982	2.7
69.32908	0.6
69.33304	3.9
71.04911	3.0
77.03844	0.6
79.05405	16.8
79.05896	1.4
81.03329	36.5
81.03851	3.2
81.06966	14.5
81.07483	0.8
81.17723	0.4
83.04888	3.8
83.08532	13.0
83.09052	1.0
85.02819	2.4
85.06493	1.2
90.28242	0.5
91.03875	1.5
91.05482	13.4
93.07044	10.5
95.04976	17.7
95.08613	6.4
97.02795	2.3
97.06538	2.8
97.10175	12.5
99.08064	0.6
105.07035	8.9
107.04967	12.0
107.05633	0.9
107.08595	10.5
107.24104	0.5
109.02837	0.6
109.06528	6.8
109.10151	4.8
111.04358	1.6
111.08073	4.0
115.05383	1.4
117.07033	4.3
119.04856	1.5
119.08588	10.6
121.06506	8.9
121.10136	6.2
123.04413	2.4
123.08079	3.3
123.11604	1.5
125.02360	0.5
125.05901	1.0
125.09635	13.5
128.06146	1.0
129.07019	7.0
131.04816	1.9
131.08577	8.6
133.06499	4.0
133.10152	4.4
135.04337	0.8
135.08076	4.3
135.11591	1.5
137.05904	1.2
137.09514	1.6
141.06885	1.3
142.07684	0.9
143.08585	2.7
143.10535	0.5
145.04941	0.7
145.05289	0.7
145.06476	6.2
145.10126	4.5
147.04276	1.3
147.06979	0.5
147.08040	5.1
147.11703	5.4
149.05817	1.0
149.09610	4.8
153.09113	2.3
153.12611	0.9
153.78050	0.6
155.08456	1.9
156.06213	0.5
157.06464	1.1
157.10129	7.1
159.07953	2.2
159.11595	1.4
161.05905	1.8
161.09460	1.5
163.11186	3.4
165.12654	1.2
167.08430	0.5
167.10565	1.5
168.09262	0.5
168.69812	0.6
169.06403	0.6
169.09996	1.7
171.07938	1.9
171.10083	2.2
171.11600	2.0
173.09569	1.5
173.13191	1.2
175.07439	0.8
175.11226	5.5
177.12665	1.1
181.10133	0.7
183.11580	0.9
185.09601	0.6
185.13184	1.2
187.11075	1.9
187.14772	1.2
189.11119	6.0
189.12688	1.6
193.12253	15.7
194.01254	0.5
195.11574	1.9
195.13336	0.6
197.09540	0.7
197.13170	1.9
199.11096	1.7
201.12630	1.2
203.14268	0.7
205.12161	1.4
205.15878	0.7
207.13580	0.5
211.11050	1.6
211.13193	1.3
213.12645	1.5
215.14243	2.1
217.12137	1.9
219.13841	3.2
223.11185	1.2
223.13203	1.3
225.12698	0.9
227.12683	2.2
227.14609	0.7
229.15866	0.6
231.13771	1.1
233.15363	4.1
235.13246	1.8
237.12704	1.5
239.14232	0.7
241.12064	0.8
243.13701	0.6
245.15321	1.1
249.14792	2.2
255.13704	2.1
257.15219	1.1
259.13190	1.6
267.15927	46.7
268.16095	0.8
269.15433	0.7
271.13144	0.6
271.16977	0.7
273.14844	6.6
275.16498	1.1
287.16357	1.7
309.16992	1.2
321.22012	0.9
339.23245	2.8
349.21643	4.3
357.24222	1.7
367.22659	13.9
368.23123	0.7
385.23749	20.8
386.23984	0.8
403.24738	5.3
405.24350	0.9
441.26349	9.5
459.27432	100.0
460.27707	5.0
477.28503	92.9
478.29037	4.4
491.30066	13.4
501.28558	6.1
509.31122	4.8
513.28699	2.0
519.29626	0.9
531.29492	1.9
533.31189	0.6
541.34003	0.8
543.29572	1.9
555.29468	1.2
567.29358	5.6
585.30713	2.0
603.31403	1.4
857.36322	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.0
67.05509	49.0
69.03424	4.2
69.07072	11.1
69.37230	3.9
71.01347	1.5
71.04986	3.3
71.08634	17.9
73.02917	3.8
79.05499	18.4
81.03416	5.7
81.07063	30.0
83.04978	4.8
83.08626	16.6
85.02908	20.4
85.03429	1.0
85.06549	2.3
85.09720	0.8
85.10192	10.2
87.04474	5.0
89.06037	1.6
91.03974	6.8
91.05488	9.8
93.07050	11.6
95.04999	4.2
95.08611	26.7
96.04469	0.9
97.02896	8.9
97.06541	1.7
97.10173	21.1
103.03938	1.0
103.07590	1.1
105.07038	4.2
107.04946	3.2
107.07889	0.6
107.08604	11.0
109.02824	0.8
109.06518	1.3
109.10164	38.9
111.04432	2.5
111.08089	3.2
111.11702	0.8
115.05389	0.7
117.07037	3.3
119.08579	5.9
121.06502	1.3
121.10153	4.5
123.08076	1.5
123.11688	3.1
125.08756	1.2
125.09637	17.2
127.03925	2.8
129.07007	0.6
130.07788	0.6
131.08583	3.5
133.10124	2.4
135.08051	1.0
135.11697	3.3
137.09607	1.6
137.13327	0.7
139.11179	0.9
143.10664	2.7
145.04942	2.5
145.10132	3.8
147.08047	0.8
147.11732	1.6
149.09624	0.7
149.13181	0.6
151.11220	0.9
153.12776	1.8
155.08574	0.8
155.10684	2.7
157.10158	0.8
157.24661	0.6
158.67894	0.6
159.11737	1.5
163.06027	2.6
163.11209	3.6
173.09534	0.6
173.11778	8.4
173.13235	1.3
181.12328	1.4
189.11177	1.6
191.10678	2.3
193.12180	0.8
199.13309	11.0
199.14998	1.1
199.71320	0.7
209.11713	7.4
217.14310	1.0
223.13274	4.2
227.12781	11.4
229.14362	48.2
230.14532	0.7
239.23698	3.6
257.24759	2.0
261.22195	1.5
265.14328	1.2
267.15967	2.3
279.16241	0.6
283.15543	5.1
297.17004	5.8
299.15009	2.4
300.15256	1.2
301.16470	32.7
302.16791	1.2
313.27377	100.0
314.27740	2.9
319.17569	1.1
335.25818	11.9
335.29831	0.7
341.26831	1.9
394.42474	0.6
437.36224	5.4
455.37399	16.4
463.21692	0.9
467.37357	27.2
468.37994	0.7
489.35959	4.2
505.38809	1.5
521.38391	3.7
536.24469	0.7
539.39319	20.9
557.39014	11.1
575.40002	0.7
701.44482	1.2
714.72467	0.7
903.32245	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.4
67.05521	1.5
67.64966	0.5
68.99787	10.6
71.36590	1.1
71.36927	0.7
74.35703	0.5
75.18522	0.6
79.05458	0.6
81.03415	4.4
85.02901	0.7
93.03389	0.6
95.04974	2.1
97.02965	0.7
99.04483	1.2
101.78778	0.5
105.03402	1.7
107.04960	1.0
109.02866	9.6
111.00812	11.3
111.04447	1.8
119.04919	1.6
120.88335	0.6
121.02861	2.4
123.04429	18.0
125.02324	0.6
127.03918	73.6
130.15111	0.5
131.04948	1.0
133.02867	6.6
133.06483	0.8
135.04401	3.4
137.02361	0.8
139.03903	100.0
140.04308	0.9
145.02872	0.8
145.06493	0.6
147.04428	8.6
149.02341	5.5
150.03088	1.3
151.03908	57.5
153.01822	2.8
153.05431	1.7
155.03403	15.2
155.04730	1.1
157.06523	1.0
159.04413	1.0
161.05991	2.3
163.03906	11.2
165.01767	1.0
165.05502	3.1
165.06802	0.8
167.03366	3.6
169.04970	2.7
171.04495	2.9
172.30540	0.6
173.06027	1.7
175.03896	11.4
177.01900	0.9
177.05475	8.0
179.03397	51.8
180.03792	1.4
181.04959	3.9
183.04408	1.1
185.05960	1.5
187.04080	0.9
189.05460	5.6
191.03406	10.2
191.95879	0.7
193.05014	3.7
195.06506	0.6
197.06097	0.8
199.03922	5.7
201.05499	4.4
203.03392	22.4
205.01344	1.2
205.04967	2.3
211.03870	0.9
213.05441	7.8
215.03410	1.8
216.04259	0.6
217.04951	8.7
219.06575	1.8
221.04384	1.1
223.02402	2.2
225.05495	0.9
227.03314	2.1
229.04958	6.6
231.06557	4.1
233.04509	5.2
237.05385	0.9
239.03331	0.8
241.04938	5.6
243.06499	0.7
245.04463	81.3
246.04857	1.8
247.02362	0.8
247.05995	2.7
251.05463	0.7
253.04935	1.8
257.01743	1.3
257.04446	20.6
258.05219	1.3
259.06006	5.2
263.05505	43.2
264.05908	1.6
267.06573	0.7
269.04440	5.5
271.06061	3.3
272.28275	0.6
275.05508	24.5
277.07138	7.2
279.06589	0.8
281.04535	2.1
283.06049	0.9
285.03961	1.0
287.05505	58.5
288.05835	1.7
289.07059	2.2
295.05829	1.3
297.04007	2.1
299.05478	16.9
301.07101	0.9
303.06223	0.8
305.06558	30.3
306.06888	0.6
307.08188	12.2
309.03873	1.0
311.05435	1.8
317.06580	21.9
318.06760	0.9
319.08417	0.8
321.07645	1.3
323.05585	1.6
329.06335	1.0
334.05298	0.6
337.07068	0.8
339.04947	1.8
349.07053	1.2
351.05011	3.1
361.06836	0.6
363.04913	1.3
377.06564	1.1
381.06006	2.2
389.06470	0.8
393.06116	4.5
395.07562	1.8
399.07101	2.2
405.05872	5.3
407.07605	1.3
411.06955	1.0
413.08740	3.8
417.05597	1.2
423.07114	17.3
425.08618	16.9
431.09396	0.7
435.07138	4.3
437.08466	2.0
441.08276	11.6
443.09750	34.8
444.09860	1.0
447.06937	0.8
449.08832	0.7
453.07938	1.9
455.09561	1.5
465.08127	2.6
467.09555	2.2
488.15625	0.8
543.09430	1.6
549.09918	1.2
561.10193	3.9
567.11224	2.6
573.09595	1.6
579.11426	0.8
591.10297	0.8
603.11859	0.7
609.12256	1.3
611.14014	1.8
621.11945	1.0
729.14117	2.1
747.15155	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	914.569
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	0.7
67.05508	11.2
69.03403	1.7
69.07076	4.6
70.78889	1.6
71.04969	0.9
71.08636	16.3
73.02891	1.2
79.05506	6.4
80.06204	0.6
81.03423	51.5
81.07059	14.1
83.04957	2.1
83.08157	0.9
83.08625	16.0
85.02901	4.6
85.06528	1.1
85.09741	0.9
85.10188	11.4
89.06036	0.8
91.03960	3.8
91.04970	0.9
91.05482	10.1
92.19547	0.5
93.07043	4.6
95.04977	16.0
95.08616	15.2
97.02903	3.7
97.06490	1.2
97.10180	4.1
98.79451	0.6
103.07574	0.7
105.07051	6.7
107.04946	3.7
107.08562	2.5
109.06506	2.0
109.09558	0.7
109.10165	6.4
111.04414	1.1
111.08076	3.8
111.11726	1.3
115.05498	0.7
117.07010	1.1
119.04900	0.7
119.07819	0.6
119.08589	7.1
121.06462	0.8
121.10126	3.1
123.04427	1.3
123.08051	0.7
123.11726	2.9
125.09618	0.6
125.13287	0.6
127.03916	1.5
129.07045	5.8
131.08565	6.0
133.06493	1.9
133.10106	2.5
135.11684	0.9
137.09637	1.1
137.13235	1.1
142.07765	1.2
145.04939	1.7
145.10129	1.3
147.08037	1.3
147.11693	4.3
149.09668	3.1
157.10150	6.7
163.06030	2.3
163.11211	1.3
165.12738	1.1
175.11188	6.5
179.17970	0.6
193.12260	23.0
211.13322	1.3
235.13263	1.6
239.23795	1.1
249.14928	1.1
257.24811	2.3
259.13354	1.6
267.15930	100.0
268.16251	1.0
273.14948	0.7
301.14359	1.7
309.16965	3.9
313.27386	97.6
314.27753	1.9
319.15317	0.7
333.17087	0.9
344.26834	0.7
394.20242	0.7
482.84833	0.8
489.31213	0.8
505.38919	83.4
506.39627	3.4
523.39893	1.1
547.39850	6.7
601.41241	3.2
613.41101	1.4
631.42059	1.6
649.42932	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	0.3
67.05510	3.2
69.03435	3.5
69.07072	0.8
69.24633	1.0
69.25054	1.0
71.01365	0.5
71.05022	0.6
73.02921	4.2
79.05498	2.5
80.53141	0.2
81.03419	1.4
81.07062	3.9
83.08642	0.3
85.02910	6.6
85.06543	0.3
87.04483	0.3
91.03961	4.5
91.05490	1.4
93.07052	2.1
95.08602	2.2
97.02900	6.9
97.06542	0.4
99.04486	1.0
103.03962	0.4
105.07042	1.2
107.08622	1.2
109.02908	0.9
109.10178	0.7
115.03970	0.7
117.07038	0.4
117.81132	0.3
119.08575	1.2
121.10159	1.3
123.11743	0.4
127.03936	1.5
131.08612	0.7
133.10211	0.6
135.11726	0.7
143.08319	0.3
145.04999	0.4
147.11711	1.4
148.31218	0.2
164.97076	0.3
165.12866	0.5
185.04237	1.2
190.06677	0.3
201.03659	0.3
203.05344	0.8
233.10582	0.3
243.08414	1.7
251.12613	0.5
259.08060	0.4
269.12408	1.7
287.13589	0.7
301.20193	0.6
307.15704	0.3
323.62732	0.2
325.15170	0.6
335.26031	0.8
347.09564	2.4
365.10895	0.8
405.13730	3.8
425.21744	0.5
469.20450	6.1
519.29388	5.0
520.29706	0.4
585.36731	0.5
631.25238	4.0
681.34521	6.2
725.37140	0.3
739.37469	1.6
747.42297	3.4
909.48224	100.0
910.48492	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	911.498
Annotation	Unknow
Peak:m/z	Relative Intensity
67.00980	0.5
67.05513	4.8
69.03436	3.9
69.07085	0.9
71.01359	0.8
71.05005	1.5
73.02932	4.6
79.05492	2.4
81.03422	1.6
81.07066	3.1
83.27126	0.5
85.02905	6.7
87.04471	0.5
91.03957	4.8
91.05502	1.8
93.07073	2.4
93.57497	0.5
95.04990	0.5
95.08608	1.8
97.02898	7.8
99.04477	1.3
101.02405	1.5
103.04007	0.7
105.07051	1.0
107.08628	1.7
109.02896	1.6
109.10199	1.8
115.03964	0.7
119.08595	1.4
121.10159	0.8
127.03955	1.9
133.10141	0.6
135.11746	1.1
145.10179	0.6
154.12831	0.5
178.10316	0.6
185.04283	0.8
190.87303	0.5
203.05257	1.0
243.08603	2.2
253.14156	1.0
347.09589	2.9
365.10904	1.2
386.42093	0.6
389.67700	0.5
405.13654	5.3
471.22043	4.4
491.20865	0.6
502.67023	0.5
519.29437	6.0
633.27185	3.1
681.34680	7.3
723.39594	1.1
741.37329	1.2
749.44220	2.1
911.49768	100.0
912.50024	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	914.5693
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.7
67.05512	12.6
69.03402	1.6
69.07072	7.3
69.84226	1.2
69.84631	1.6
71.01343	0.7
71.04959	1.7
71.08636	18.6
73.02895	1.4
75.04410	0.5
77.16074	0.5
79.05498	8.4
81.03424	54.6
81.07063	15.8
83.04992	2.4
83.08626	17.2
85.02916	5.8
85.10191	11.8
89.06008	1.5
91.03966	3.5
91.05495	10.0
93.06561	0.5
93.07050	5.7
95.04975	14.1
95.08612	15.6
97.02900	3.9
97.06519	1.1
97.10190	4.6
99.08087	0.8
103.07580	1.0
105.07034	7.6
106.50810	0.4
107.04970	4.0
107.08582	2.3
109.06500	1.8
109.10166	8.1
111.04399	1.4
111.08099	4.6
111.11713	0.7
115.05428	1.2
116.48022	0.4
117.07003	1.0
119.04912	0.7
119.08586	7.9
121.06488	1.6
121.10143	4.3
123.04399	1.2
123.08031	1.1
123.11728	2.9
125.09642	0.6
127.03878	1.1
129.07007	6.0
131.08578	5.9
133.06476	1.7
133.10123	3.0
135.08093	0.6
137.09607	1.0
137.13249	1.2
142.07765	1.6
145.04938	1.2
145.10092	1.3
147.04391	0.7
147.08041	2.1
147.11679	4.5
149.09641	2.9
157.10141	7.0
161.05997	0.5
163.06033	2.2
163.11162	1.4
163.85138	0.4
165.12711	1.4
169.26033	0.5
175.11203	6.4
193.12259	21.7
205.12114	0.5
211.13312	1.6
235.13313	1.7
239.23645	1.8
249.14819	1.4
257.24759	1.8
259.13345	2.0
267.15933	97.8
268.16248	1.8
273.14838	1.6
301.14325	1.9
309.16943	1.8
313.27393	100.0
314.27765	1.9
319.15149	1.0
333.16980	0.6
335.25946	0.7
393.19110	0.6
425.36447	0.5
459.22961	0.6
505.38931	83.0
506.39023	3.0
523.40118	1.7
547.40045	6.0
555.40430	0.5
565.40814	0.6
589.40967	1.2
601.40906	2.1
613.41058	2.1
631.41937	1.9
647.22449	0.5
649.43701	1.0
914.51703	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	3.2
67.78793	0.3
68.78768	0.3
69.03431	3.6
69.35903	1.3
69.36326	1.1
71.01368	0.4
71.05003	0.7
73.02927	3.9
79.05500	2.3
81.03423	2.9
81.07058	3.5
83.08636	0.7
85.02909	7.5
87.04495	0.5
91.03957	3.5
91.05482	1.9
93.07063	2.3
95.04990	0.6
95.08611	2.2
97.02897	5.7
97.06548	0.3
97.10126	0.4
98.21581	0.4
99.04475	1.1
103.03985	0.3
105.07024	1.4
106.06567	0.3
106.64032	0.3
107.08622	1.1
109.02894	1.1
109.10169	1.0
115.03969	0.5
119.08593	0.7
121.10187	1.0
123.11743	0.4
126.48927	0.3
127.03932	2.4
131.08656	0.6
133.10188	0.7
135.11729	0.6
145.10150	0.3
147.11662	0.7
149.13179	0.3
157.10132	0.4
174.51460	0.3
175.69670	0.3
185.04305	0.8
193.12277	0.5
203.05345	0.6
243.08365	1.8
251.12541	1.0
269.12421	0.6
316.99854	0.4
335.25876	0.5
347.09564	2.2
350.84216	0.3
363.09042	0.4
365.10873	0.7
405.13721	4.6
469.20407	3.8
519.29248	5.0
631.25745	3.2
681.34662	5.8
721.37933	0.9
747.43329	1.6
909.48199	100.0
910.48480	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	909.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
65.20999	0.3
65.54462	0.3
67.05510	2.8
69.03431	3.2
69.07076	0.9
71.01367	0.5
71.05000	0.7
71.06371	0.8
73.02926	3.2
73.43794	0.4
79.05504	2.1
81.03431	2.7
81.07071	2.4
83.04972	0.7
83.08645	0.6
85.02911	6.9
85.03431	0.4
87.04494	0.4
90.17368	0.3
91.03974	3.8
91.05492	2.6
92.79347	0.4
93.07042	1.8
95.04973	1.0
95.08636	1.7
97.02904	6.1
99.04475	0.8
101.88351	0.4
103.03973	0.5
105.07057	1.0
107.08640	0.7
109.02918	0.9
109.06522	0.3
109.10170	0.7
111.08102	0.3
115.03990	0.5
116.65051	0.3
117.07019	0.4
119.08618	1.3
121.10176	0.8
123.08167	0.3
123.11681	0.4
127.03918	2.0
128.72824	0.3
131.08568	0.8
133.10179	1.2
135.70697	0.3
147.11703	0.6
157.10242	0.7
185.04260	1.0
193.12369	0.8
203.05397	0.6
211.13300	0.4
225.37137	0.3
243.08453	2.3
246.61176	0.4
251.12711	0.7
307.15329	0.7
347.09439	1.9
363.09158	0.5
365.10599	0.7
405.13681	5.1
405.18546	0.5
469.20532	5.7
519.29364	4.2
631.25769	6.0
631.35724	0.5
681.34503	3.9
721.38434	0.8
739.37689	0.5
747.43042	1.1
909.48242	100.0
910.48499	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	909.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	3.4
68.79639	0.2
69.03430	3.4
69.07070	0.6
71.05000	0.3
71.06007	0.2
71.54811	0.3
73.02920	4.2
79.05495	1.9
81.03425	1.5
81.07060	4.5
83.04987	0.5
83.08653	0.4
85.02905	5.6
86.50140	0.3
87.04473	0.5
90.68319	0.3
91.03960	3.1
91.05473	1.3
92.40243	0.3
93.07053	1.7
94.13390	0.3
95.04951	0.3
95.08605	1.9
97.02899	5.8
99.04477	0.9
103.03948	0.3
105.07034	1.6
107.08614	1.4
109.02885	0.9
109.06545	0.3
109.10178	0.6
114.16185	0.3
115.03967	0.5
119.08549	1.4
121.10157	1.5
123.11726	0.4
127.03928	1.8
131.08611	0.4
133.10170	0.7
135.11757	0.4
145.05006	0.6
147.11694	2.5
149.13330	0.4
165.12836	0.7
185.04276	1.0
187.08185	0.3
203.05345	1.4
213.09972	0.3
215.17889	0.3
239.11435	0.3
243.04683	0.3
243.08455	1.7
251.11499	1.4
259.07822	0.3
269.12393	2.2
270.12198	0.3
287.13538	1.2
301.20218	0.9
307.15253	0.6
325.15015	0.7
335.25842	0.5
347.09515	2.6
365.10452	1.6
405.13727	3.0
425.21722	0.8
469.20331	9.4
519.29279	3.4
537.30408	0.3
631.25208	10.3
632.25555	0.5
681.34705	2.9
721.38824	0.6
739.37219	2.2
747.42383	2.8
909.48169	100.0
910.48499	5.9
941.92108	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
63.28236	0.3
67.05510	4.5
69.03434	3.9
69.07070	1.0
70.10490	1.1
70.96710	0.3
71.01354	0.8
71.05029	0.7
73.02923	3.3
79.05500	3.4
81.03426	2.5
81.07062	4.6
83.04990	0.5
83.08624	0.6
85.02909	6.0
91.03964	3.1
91.05490	1.9
93.07053	3.5
95.04988	0.6
95.08616	3.2
97.02901	6.2
98.73509	0.3
99.04456	1.0
101.02388	1.8
103.03952	0.4
105.07050	1.2
107.04977	0.6
107.08624	2.0
109.02888	1.1
109.10159	1.2
109.10857	0.3
115.03927	0.4
117.07036	0.6
119.08612	1.1
121.10172	1.5
127.03932	1.3
131.08617	0.8
133.10205	0.9
135.11696	1.9
139.00780	0.3
140.47481	0.3
145.04973	0.4
145.10167	1.3
149.13216	0.4
155.75383	0.3
157.10020	0.3
159.11783	0.3
163.11234	1.6
185.04294	0.9
203.05276	0.7
212.74532	0.3
227.12785	1.7
243.08423	2.4
243.15990	0.3
249.11012	7.9
259.07907	0.4
259.22266	0.3
269.17554	0.4
305.13699	1.3
317.17590	0.3
335.25925	1.2
336.26422	0.7
347.09586	1.9
363.09262	0.3
365.10815	0.5
405.13708	5.6
467.18948	5.1
503.37140	0.5
504.37338	0.8
519.29321	5.7
529.38550	0.4
546.38812	0.4
548.39807	0.6
610.22601	0.3
629.24261	2.5
681.34521	7.7
725.61572	0.3
745.40979	1.7
907.46539	100.0
908.47028	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	907.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03960	0.4
67.05504	3.5
69.03424	3.0
69.07082	0.9
71.04996	0.6
71.55857	0.5
73.02918	3.2
79.05495	2.7
80.05866	0.4
81.03429	1.8
81.07061	3.5
83.04985	0.6
83.08629	0.7
85.02906	5.2
91.03955	2.5
91.05495	1.7
93.07048	3.8
95.04973	0.8
95.08605	2.8
97.02907	4.9
99.04450	0.8
101.02393	1.4
105.07003	1.5
107.04991	0.7
107.08596	2.6
109.02888	1.2
109.10174	1.2
117.07068	0.9
119.08607	1.2
121.10177	1.5
127.03931	1.7
131.08600	0.5
135.11699	2.8
145.05038	0.5
145.10159	1.7
147.11755	0.5
163.11212	3.6
181.12257	0.7
185.04271	1.0
203.05313	0.7
227.12761	2.9
243.08452	2.5
249.11017	5.4
252.16029	0.8
253.16205	0.3
266.95694	0.4
268.34033	0.4
299.07785	0.4
305.13608	2.1
332.20956	0.5
335.25900	0.8
347.09442	2.1
363.09030	0.5
365.10587	0.5
367.88458	0.3
405.13754	5.9
439.19574	0.4
467.18951	10.8
493.36472	0.3
519.29364	5.5
546.38226	0.5
547.39197	0.5
583.35956	0.5
619.83081	0.4
629.24316	6.1
681.34772	4.2
745.41382	2.4
806.32080	0.4
907.46600	100.0
908.46863	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.543
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	2.0
67.05509	79.0
69.03422	3.0
69.06781	0.9
69.07072	9.7
69.23725	7.5
69.24149	2.4
71.04990	15.6
73.02920	2.6
74.30731	0.9
79.05496	30.1
81.03416	2.5
81.07056	34.2
81.40594	0.8
83.04976	3.1
83.08611	6.4
85.02907	10.1
85.06545	2.8
91.03977	6.4
91.05480	23.8
93.07049	39.4
95.04954	4.2
95.08612	25.3
97.02872	5.7
97.06532	4.9
97.10171	2.2
99.08083	2.2
105.04564	1.0
105.07025	12.0
107.08591	16.6
109.02825	1.1
109.06536	1.8
109.10162	53.1
111.08069	3.4
117.07044	5.8
119.08586	16.1
121.10151	14.9
123.11700	1.4
127.03893	2.0
131.08585	5.8
133.10164	7.1
135.11723	12.3
137.09639	7.9
145.04968	2.3
145.10130	7.8
147.11702	5.3
149.13260	3.7
155.10663	3.5
159.11676	2.8
161.13275	1.4
163.05974	3.0
163.11188	3.9
163.14731	0.9
168.05693	1.1
169.12158	1.2
171.11644	1.3
173.11737	5.8
173.13156	2.2
180.89091	1.0
181.12270	1.5
187.14963	1.4
229.14363	1.4
255.13312	1.1
255.15918	4.5
261.22165	3.5
267.15891	1.2
286.17255	1.2
287.18512	17.8
335.25809	26.1
399.19724	1.2
471.34512	4.3
489.35785	93.7
490.36020	2.9
497.36542	1.4
503.37411	2.3
515.37335	19.4
516.36700	1.2
533.38354	1.4
547.39978	100.0
548.40082	4.5
691.43890	2.3
752.30438	1.4
906.51099	18.6
907.49274	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	4.2
69.03435	3.2
69.07062	0.4
71.05022	0.5
73.02926	3.7
79.05498	3.1
81.03420	2.0
81.07071	3.0
83.08627	0.5
85.02917	6.4
85.05226	0.4
87.04479	0.4
91.03964	3.6
91.05506	2.4
93.07056	3.4
95.05005	0.8
95.08624	2.4
96.53415	0.3
97.02901	5.7
98.20763	0.7
99.04475	0.9
101.02387	1.7
105.07050	1.8
107.08620	1.8
109.02911	0.9
109.10165	0.7
113.64700	0.4
117.07069	0.6
119.08580	1.2
121.10178	1.1
124.03680	0.3
127.03917	2.2
131.08585	0.6
133.10236	0.7
135.11780	0.6
143.08537	0.4
145.05031	0.5
145.10143	0.6
147.11734	0.7
149.13284	0.5
159.11687	0.4
161.13324	0.6
171.11732	0.8
173.13393	0.4
183.06660	0.4
185.04338	0.5
203.05290	0.8
229.10469	0.5
243.08383	2.4
247.13181	1.1
253.47195	0.4
285.16830	0.4
335.25970	0.8
339.27802	0.3
347.09506	1.7
363.09128	0.4
365.10635	1.0
373.81769	0.4
388.26630	0.4
405.13727	5.2
465.20908	4.3
519.29340	4.9
627.25964	2.2
681.34662	5.7
682.35657	0.6
743.43726	1.1
848.18213	0.4
905.48779	100.0
906.49152	6.5
926.06433	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	3.1
67.05507	57.2
69.03431	3.4
69.07074	20.9
69.94843	5.8
71.04992	3.2
73.02911	3.7
79.05067	2.3
79.05498	34.4
81.03410	4.3
81.07061	99.6
82.31757	1.1
83.04985	5.9
83.08631	9.8
85.02904	13.1
85.06532	3.8
91.03967	6.8
91.05486	34.5
93.07046	38.7
95.04956	4.7
95.08614	41.7
97.02883	8.8
97.06544	7.9
97.10147	1.9
99.04470	1.2
99.08092	3.9
101.06053	1.2
105.04516	2.6
105.07034	43.9
107.08601	24.9
109.06511	3.5
109.10155	13.4
111.08052	1.7
113.06017	1.1
114.61348	1.2
117.07005	6.1
119.08585	31.1
121.10154	33.8
123.08068	5.4
123.11716	30.8
125.09631	1.5
127.03926	3.2
127.07532	3.1
129.06996	2.8
131.08571	9.2
133.10120	9.0
133.96570	1.2
135.11688	10.0
137.13277	2.5
139.11182	1.6
141.09108	1.5
145.04987	2.3
145.10159	6.4
147.11690	63.7
149.09525	1.5
149.13280	6.0
151.11209	1.4
157.10123	3.2
159.11699	3.5
161.09813	1.1
161.13266	3.4
163.06023	4.1
163.11191	1.2
163.14786	2.6
165.12764	24.9
173.13324	4.2
175.11162	2.1
175.14832	1.5
183.13795	2.6
187.14851	2.7
193.12260	3.4
211.13348	1.4
219.59512	1.1
229.14401	6.3
243.21149	7.0
261.22144	23.4
267.15933	73.0
268.16272	2.2
274.70071	1.3
279.23267	3.6
285.16977	100.0
286.17297	2.7
317.24731	4.7
335.25812	89.6
336.25952	3.5
353.26846	4.2
471.34708	2.8
527.37579	11.2
545.38409	81.4
546.38727	4.8
563.39417	5.4
629.64691	1.4
904.48810	4.8
905.49500	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	904.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	1.8
65.42349	0.4
67.05508	41.8
68.05827	0.5
69.03430	2.6
69.07072	13.3
71.04992	2.2
71.08633	0.9
73.02921	3.1
79.05495	27.3
81.03422	2.5
81.07059	69.3
82.07408	0.7
83.04982	4.9
83.08624	8.1
83.92697	0.4
85.02908	9.5
85.06535	3.7
87.04477	0.5
91.03964	5.3
91.04897	0.8
91.05482	23.0
93.07046	29.9
95.04977	3.9
95.08611	34.2
96.04501	0.5
97.02898	5.3
97.06532	6.3
97.10160	2.3
99.04461	1.3
99.08099	2.5
101.02393	0.6
101.06016	0.9
103.05457	0.4
105.04565	0.5
105.07036	27.2
107.04967	0.6
107.08598	19.0
109.02902	0.5
109.06509	3.3
109.10161	13.2
111.08083	1.4
111.11710	0.5
111.48116	0.4
113.06015	0.9
117.07008	4.1
119.08586	23.0
121.06519	0.6
121.10149	21.2
123.08097	3.6
123.11711	19.5
125.09622	1.1
127.03927	1.8
127.07571	2.1
129.06999	1.7
131.08566	6.6
133.10126	6.7
135.08109	0.4
135.11696	7.2
137.09683	1.0
137.13243	2.2
139.11195	0.6
141.09149	0.6
143.63617	0.4
145.04999	1.5
145.10127	6.4
147.11694	41.9
148.12120	0.4
149.09662	1.5
149.13280	4.4
151.11224	0.7
151.14850	0.4
155.08604	0.5
157.10138	2.5
159.11662	2.6
161.13287	2.0
162.13799	0.4
162.29889	0.4
163.06001	2.0
163.11156	0.7
163.14850	1.8
165.12761	16.6
173.13260	3.0
175.11151	2.0
175.14888	0.9
183.13841	1.8
185.13200	0.4
187.14777	1.9
193.12299	1.8
201.16499	0.7
211.13228	1.1
227.12735	0.5
229.14394	3.5
229.37927	0.5
233.22624	0.8
243.21094	4.0
261.22150	17.7
267.15921	53.4
268.16272	1.0
279.23087	2.6
285.16977	55.7
286.17273	0.9
290.55643	0.4
317.24780	2.9
335.25812	100.0
336.26208	2.9
353.26868	1.5
423.26941	0.5
453.33588	0.8
471.34692	1.2
527.37329	4.5
545.38391	62.6
546.38574	2.5
562.46643	0.4
563.39447	2.7
655.62500	0.4
904.48798	2.8
905.50433	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	904.527
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	2.3
66.50661	0.9
67.05510	50.1
69.03425	4.7
69.06717	1.2
69.07070	12.5
70.73707	1.7
70.74038	1.0
71.04995	4.0
73.02911	3.9
79.05499	44.5
81.03425	51.7
81.07063	48.4
82.71911	0.8
83.04992	13.7
83.08151	1.1
83.08624	22.7
85.02909	30.4
85.06537	2.5
91.03970	7.4
91.05489	41.1
93.07053	40.7
95.04366	1.3
95.04968	21.1
95.08614	30.0
97.02894	11.2
97.06549	4.1
97.10167	4.4
99.04448	1.3
99.08081	1.7
105.04547	1.4
105.07038	27.1
107.04981	5.5
107.08607	19.8
109.02848	1.0
109.06539	4.4
109.10158	12.9
111.04439	2.9
111.08099	7.9
111.14580	0.8
113.06001	2.2
115.05443	1.2
117.07055	6.4
119.08591	24.2
121.06528	1.5
121.09324	1.4
121.10162	19.5
123.08017	1.9
123.11706	5.7
125.09634	1.8
127.03922	2.9
129.07021	10.9
131.08575	14.9
133.10141	15.4
135.11688	7.6
137.09625	1.2
137.13274	1.1
142.07750	1.7
143.08479	1.0
145.04935	2.3
145.10120	6.5
147.08008	2.1
147.11688	16.5
149.09650	5.7
149.13243	4.7
151.11205	1.2
157.10149	13.3
159.11700	3.4
161.13260	2.5
163.06030	3.8
163.11165	0.9
163.14809	1.4
165.12749	3.1
171.11746	1.1
173.13281	2.8
175.11214	12.7
175.14772	1.4
187.14851	2.0
193.12259	36.1
199.14812	1.0
211.13309	59.7
227.12852	1.9
243.21086	2.3
249.14890	0.9
258.01270	0.8
261.22171	9.8
267.15945	14.0
285.16986	68.6
286.17459	1.3
317.24854	2.4
335.25833	66.5
336.26355	2.0
337.26797	1.0
339.96634	0.8
435.32248	1.6
453.33752	2.8
471.35037	1.7
527.37408	14.9
545.38422	100.0
546.38995	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	903.5289
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	1.9
69.03438	2.8
69.23436	7.2
71.05006	0.9
73.02941	2.7
79.05489	1.2
81.03416	1.4
81.07059	3.0
83.08633	0.9
83.71477	0.8
85.02907	5.9
85.06527	0.8
89.36963	0.7
90.31902	0.8
91.03977	2.9
91.05511	1.8
95.08643	1.1
97.02871	4.5
101.02380	1.5
105.07104	0.8
107.08648	0.9
109.02946	0.8
116.58861	0.8
127.03973	1.1
133.10219	0.8
133.78401	0.8
151.11342	0.8
159.39381	0.8
243.08501	1.4
267.67203	0.7
347.09818	2.1
405.13678	4.9
485.23602	6.6
497.31015	3.2
647.28802	6.4
659.35956	3.7
741.47803	2.0
829.51520	1.1
863.59656	0.9
903.52930	100.0
904.53296	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	904.527
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	2.4
67.05511	36.5
69.03435	3.4
69.07076	9.6
69.22475	0.4
70.36862	0.4
71.04999	3.2
71.05560	0.6
71.05903	1.1
71.08619	0.5
73.02925	2.4
77.03909	0.5
79.05499	31.5
81.03424	31.7
81.07064	37.5
83.04989	8.8
83.08629	14.9
85.02912	19.7
85.06513	1.8
87.04459	0.5
91.03969	5.1
91.05489	26.7
93.07050	30.9
95.04378	0.9
95.04973	16.2
95.08612	26.8
97.02369	0.6
97.02895	5.3
97.06526	2.8
97.10156	2.7
99.04457	1.1
99.08079	0.6
105.04466	0.7
105.07036	19.4
107.04972	4.1
107.08602	15.7
108.08863	0.5
109.06527	3.9
109.10172	9.7
111.04414	1.4
111.08101	6.2
113.05984	1.0
115.03856	0.8
115.05419	1.2
117.07022	4.3
119.04944	0.6
119.07815	0.9
119.08598	13.6
121.06499	1.2
121.10155	15.8
123.08044	2.1
123.11706	2.9
125.09634	1.3
127.03868	1.7
127.07588	0.6
128.06215	0.5
129.07004	6.5
131.08577	12.2
133.06444	1.4
133.10141	10.7
135.11708	6.4
137.09561	1.5
137.13210	0.7
142.07762	1.6
143.08473	0.7
145.04929	1.8
145.10130	5.5
147.08032	2.0
147.11697	12.8
149.09625	4.0
149.13277	3.3
151.11194	0.6
155.08540	0.6
157.10146	9.0
159.11757	2.7
159.12833	0.6
161.13249	2.9
163.06012	1.6
163.11151	0.6
163.14763	1.2
165.12746	1.4
171.11684	0.8
171.89894	0.5
173.13239	2.8
175.11209	8.0
175.14828	1.1
177.16405	0.6
185.13268	1.0
187.14809	1.5
193.12267	23.3
198.65535	0.5
211.13300	35.9
214.57387	0.5
227.12654	0.8
233.22542	0.7
243.21051	2.7
249.14912	0.6
259.20578	0.8
261.22141	7.7
267.15921	9.9
269.17288	0.5
285.16983	42.2
285.22098	1.2
286.17163	0.7
301.25223	0.9
317.24747	1.9
333.24380	0.5
335.25824	65.7
336.26266	1.3
397.83118	0.6
417.31107	0.6
435.32687	1.5
448.95789	0.5
453.33569	1.0
517.95923	0.6
527.37354	14.7
528.38214	0.7
540.22913	0.5
545.38409	100.0
546.38879	3.8
563.38928	0.7
737.11078	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	1.9
69.03432	3.2
69.07072	1.5
71.08634	1.6
71.55678	1.4
71.60241	0.8
73.02919	4.1
81.03430	1.4
85.02896	6.4
85.10206	1.6
85.39636	0.7
91.03966	2.8
93.07067	1.5
95.05042	0.8
95.08599	2.2
97.02900	5.2
99.04483	0.8
101.02399	2.1
101.55340	0.7
109.02927	1.2
121.10157	0.8
127.03905	1.6
135.11740	1.0
143.82866	0.8
163.11185	1.0
165.16029	0.7
183.06622	1.0
185.04311	1.4
201.32143	0.8
227.12782	1.2
229.20261	0.7
243.08371	1.7
249.11058	1.7
267.12286	1.0
347.09686	2.4
365.10541	1.0
405.13690	5.8
414.35107	0.9
430.61032	0.8
467.18958	4.1
485.20087	3.3
497.31061	4.8
603.23346	1.2
629.23944	1.1
647.25415	2.8
659.36499	5.7
723.42493	1.0
741.44379	1.6
775.02191	0.8
857.48236	1.0
885.48401	7.9
903.49200	100.0
904.49402	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	902.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
63.08512	0.4
65.03926	1.5
67.05511	34.8
67.61301	0.6
68.66724	0.5
69.03393	1.5
69.07079	11.9
70.99053	1.2
71.05003	2.9
71.08627	0.5
71.79507	0.4
73.02898	1.9
77.03924	0.6
78.57627	0.5
79.05499	34.3
81.03419	2.4
81.07063	42.4
83.04993	3.2
83.08143	0.8
83.08620	9.5
85.02909	3.2
85.06556	1.1
91.03933	1.4
91.05489	14.0
93.07052	50.9
94.07356	0.7
95.04437	0.8
95.04980	7.4
95.08615	51.3
96.04482	0.5
97.02907	5.5
97.06554	4.5
97.10161	1.6
99.04475	3.7
103.05453	0.9
105.04504	1.1
105.07034	12.0
107.04967	7.0
107.08606	36.2
109.02865	0.5
109.06537	2.5
109.09461	0.8
109.10164	11.3
111.04417	1.4
111.08073	1.8
113.09653	0.8
117.07029	10.4
119.08591	14.8
119.67759	0.5
121.06522	5.1
121.10159	20.9
123.08081	1.1
123.11719	2.7
125.05992	3.4
127.03918	0.8
129.07004	0.8
130.07742	1.8
131.08580	4.6
133.10135	6.4
135.08035	1.9
135.11707	54.5
137.13239	1.2
139.07591	2.3
139.11166	0.7
143.08528	1.2
145.04984	0.8
145.10136	30.6
147.11710	2.9
149.13271	2.8
151.11165	0.5
153.12788	1.0
155.08511	0.7
159.11700	2.1
161.13266	1.9
163.11197	61.5
163.14833	1.8
164.11455	0.8
173.09642	0.7
173.13248	1.8
175.14841	1.3
181.10770	0.9
181.12242	12.1
187.14813	0.8
209.11751	1.3
227.12801	76.5
228.13150	1.2
243.21106	2.2
261.22198	8.8
283.15421	100.0
284.15808	1.6
317.24838	2.2
335.25830	85.5
336.26108	2.9
442.38828	0.5
469.33115	0.5
469.96057	0.5
483.38818	0.5
543.36871	96.5
544.37006	4.2
561.37970	1.0
805.83508	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	3.3
67.05510	50.8
68.05817	1.4
69.03432	4.2
69.07069	12.3
70.20082	4.1
71.04987	3.0
71.08638	3.2
72.16506	1.0
73.02918	4.5
77.03937	1.7
79.05499	42.6
81.03423	15.8
81.07061	53.4
82.03725	1.3
83.01320	5.8
83.04988	10.3
83.08620	14.3
85.02908	20.2
85.06538	2.0
85.10185	1.2
91.03968	11.0
91.05487	24.3
93.07048	54.7
95.04980	11.0
95.08614	43.2
96.04488	1.3
97.02900	13.6
97.06522	5.9
97.10159	6.2
98.63765	0.9
99.04478	2.3
105.07042	19.3
107.04948	6.7
107.08599	31.5
109.06544	3.9
109.10169	15.2
111.04461	2.3
111.08091	3.6
117.07018	11.3
119.08588	18.8
121.06523	3.4
121.10141	21.0
123.08084	7.0
123.11716	4.7
125.06019	1.7
125.09592	2.8
127.03938	4.6
129.07010	3.4
129.56577	1.0
130.07791	1.4
131.08577	14.0
133.10153	9.1
135.08080	2.1
135.11699	23.1
137.09634	1.3
137.13237	1.7
139.07556	1.0
141.05505	1.0
143.08606	0.9
145.04971	3.9
145.10124	20.2
147.08061	2.4
147.11711	6.5
149.09702	1.4
149.13240	6.0
153.12762	2.8
155.08565	2.2
157.10139	1.6
159.11679	6.4
161.13275	4.2
163.06036	3.5
163.11192	23.6
163.14809	3.3
171.11772	1.5
173.09596	3.7
173.13223	4.8
175.11264	1.4
175.14783	1.6
181.12233	4.2
185.13268	1.5
187.14856	2.9
189.11214	3.5
191.10693	1.6
193.12239	2.6
209.11705	4.6
211.13300	2.6
221.19200	1.0
227.12773	21.1
243.21133	5.7
259.20627	1.3
261.22177	18.2
267.15921	7.5
268.16354	4.5
269.16443	1.6
277.21729	1.5
283.15417	100.0
284.15631	1.7
299.23660	5.2
313.27441	6.4
314.27698	5.9
315.28024	2.7
317.24875	4.6
333.24158	1.3
335.25818	94.5
336.26108	2.4
426.63889	1.1
433.30920	2.2
451.31958	3.0
469.33130	3.2
471.57703	1.1
505.38678	3.3
506.39316	4.1
507.39410	3.7
515.37317	2.3
525.35754	5.8
539.18201	1.1
543.36847	93.2
544.36951	3.9
561.37372	5.9
617.19116	1.2
738.43933	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	2.4
67.05508	42.7
69.03442	1.1
69.07069	10.1
71.05006	1.7
73.02927	1.4
73.06570	1.1
77.03936	1.3
79.05498	50.4
81.03429	3.8
81.07062	36.0
83.04987	7.0
83.08617	4.8
85.02907	3.9
85.06583	1.4
91.03959	1.8
91.05485	33.2
92.05795	0.6
93.07050	48.5
95.04982	9.2
95.08611	25.4
97.02910	1.9
97.06528	2.8
97.10181	2.1
105.04522	1.8
105.07037	24.4
107.04946	3.3
107.08601	15.8
109.06531	3.0
109.10155	7.4
111.08136	1.5
113.09693	0.7
115.05439	0.7
117.07021	5.4
119.08584	15.4
121.06529	1.0
121.10152	9.1
123.08102	3.7
123.11696	1.6
127.03972	0.6
128.06200	1.7
129.07027	8.7
131.08563	4.2
133.06590	0.7
133.10138	8.6
135.08057	1.0
135.11697	5.4
141.07028	0.7
143.08575	6.1
145.10123	7.4
147.08076	1.3
147.10500	1.2
147.11691	23.2
149.13324	2.2
156.09290	0.6
158.23390	0.6
159.11728	2.5
161.09595	2.1
161.13266	6.8
163.06081	0.8
163.14862	0.9
171.11696	14.7
173.13338	1.4
175.14861	1.4
185.13210	0.6
189.12747	5.7
207.13820	18.9
225.14760	0.6
243.21187	1.6
261.22122	4.4
279.15903	2.7
281.17493	53.6
282.17926	1.5
298.75668	0.7
317.24905	1.4
335.25815	43.4
336.26187	0.9
371.77798	0.7
449.34399	1.0
541.38934	100.0
542.39240	5.5
559.40228	2.8
593.25482	0.6
691.41528	0.6
872.26154	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03910	1.6
67.05508	31.2
69.03410	1.2
69.07069	9.6
69.23163	2.0
69.23588	1.7
70.97151	0.3
71.04987	2.3
73.02883	1.6
79.05495	28.7
81.03435	2.4
81.07060	34.7
82.07388	0.5
83.04989	2.8
83.08626	8.4
83.70103	0.4
85.02488	0.4
85.02895	3.3
85.06514	0.8
91.03930	1.2
91.05485	14.7
93.07049	41.7
95.04460	0.5
95.04975	5.4
95.08610	40.9
97.02396	0.3
97.02895	4.4
97.06527	3.9
97.10181	1.9
99.04447	2.6
99.08057	0.8
103.05459	0.9
103.06126	0.4
105.04508	0.7
105.07039	10.2
107.04951	4.4
107.08601	26.3
109.06491	1.2
109.09486	0.7
109.10162	9.6
109.85468	0.3
111.04417	0.9
111.08058	0.6
113.09593	0.4
115.05417	0.6
117.07030	7.2
119.08591	11.7
121.06508	3.1
121.10150	16.4
122.10454	0.5
123.08023	0.9
123.11726	2.7
125.05995	2.2
125.09618	0.6
127.03838	0.6
129.07019	0.5
130.07770	1.3
131.08548	4.8
133.06433	0.6
133.10138	5.5
135.03358	0.4
135.08093	1.9
135.11702	37.3
136.12047	0.9
137.09528	0.7
137.13240	0.7
139.07523	1.0
143.08517	1.1
145.04916	0.6
145.06522	0.4
145.10127	22.3
147.08044	0.4
147.11703	2.5
149.09633	0.6
149.13245	2.7
153.12761	1.0
155.08534	0.6
155.77422	0.5
159.11697	2.6
161.13202	2.0
163.11189	41.9
163.14795	1.7
164.11510	0.6
173.09619	0.8
173.13261	1.9
175.14786	1.0
181.12254	7.4
187.14857	1.0
209.11763	0.9
227.12791	48.2
228.13193	1.0
233.22681	0.5
237.87782	0.4
243.21074	1.7
261.22183	8.1
267.15939	0.6
275.19809	0.5
283.15414	53.9
284.15829	1.1
317.24753	2.6
335.25812	100.0
336.26160	2.9
463.30493	0.5
470.17126	0.4
543.36847	97.0
544.37219	3.9
561.38397	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.203
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	1.7
67.05489	1.2
68.99791	11.4
70.04745	3.2
77.03936	1.2
79.05508	0.8
81.03408	4.5
83.04979	0.6
89.03906	1.4
91.05468	2.3
93.03408	1.2
95.04971	2.0
98.97588	1.9
99.04481	1.5
104.79477	0.6
105.03387	1.5
107.04954	2.9
109.02340	0.6
109.02901	6.6
110.97572	1.2
111.00807	10.4
111.04420	3.5
115.05457	0.8
116.98604	1.2
117.03407	1.3
119.04933	3.1
120.40089	0.7
121.02882	1.8
123.04434	32.8
127.03922	100.0
127.17689	0.8
131.04939	2.1
133.02847	5.0
135.04427	22.1
137.02371	2.7
139.03909	88.1
145.02875	1.8
145.06543	1.0
147.04419	14.4
149.02425	4.8
149.05994	1.5
149.87071	0.7
151.03912	40.9
153.01817	1.9
153.05498	1.6
155.03409	6.2
158.99615	0.9
159.04462	3.1
161.02367	1.7
161.05986	3.3
163.03922	22.6
163.05246	1.4
165.05493	4.7
167.03398	4.1
169.05038	2.5
169.06520	0.9
171.04393	2.2
173.05963	4.0
175.03900	11.6
177.05519	8.7
179.03404	45.9
181.04973	2.5
183.04442	2.2
185.06013	1.8
187.03906	3.0
189.00624	1.0
189.05504	5.9
191.03404	9.7
191.78142	0.7
193.04973	3.7
197.05997	2.1
199.03891	3.4
201.05482	8.3
203.03395	21.6
203.07047	1.1
205.01256	0.9
205.05003	2.9
207.45778	0.8
211.03915	2.1
213.05515	6.6
215.03445	2.6
215.07031	1.7
217.04979	5.9
219.01543	0.8
219.06554	2.0
223.02405	2.0
225.05505	1.8
227.03413	1.3
229.05011	8.2
231.02817	1.1
231.06532	3.5
233.04514	6.1
235.02251	0.9
237.02690	1.0
241.04947	4.1
243.06581	2.9
245.04474	48.2
247.06041	36.4
251.05370	1.3
253.04990	2.5
255.06367	1.0
257.04468	18.9
258.05240	2.2
259.06110	4.0
261.02893	1.3
261.07581	1.6
263.05521	29.5
269.04440	6.6
271.06036	11.1
275.05490	20.2
277.07135	2.9
281.04428	3.3
283.06119	2.9
285.03885	1.0
287.05515	53.2
288.05753	1.0
289.07104	7.5
291.08600	8.9
295.06158	2.1
297.04050	3.0
299.05521	14.7
301.07007	2.1
303.09100	1.0
305.06604	21.6
307.08444	6.4
309.03983	2.2
311.05518	1.9
317.06589	19.9
321.04193	1.5
321.07700	1.4
323.05569	2.4
329.06641	1.1
337.06833	1.2
349.07266	1.3
351.05072	3.9
365.06592	1.0
377.06622	1.7
379.07861	1.1
381.06421	1.9
383.07468	0.9
389.28836	0.8
393.06027	5.3
395.07593	2.8
397.09479	1.0
399.07120	3.0
405.05988	5.0
407.07584	3.3
409.09207	5.7
411.07260	1.7
413.08926	1.8
417.06158	1.3
419.07458	1.7
423.07211	10.3
425.08701	19.2
427.10333	3.5
435.07202	3.1
437.08710	3.1
441.08160	7.6
443.09747	23.6
444.10165	1.2
449.08618	1.4
451.10321	1.5
453.08221	2.5
455.09616	1.2
465.08466	1.2
467.09787	2.0
485.10989	1.3
527.09912	1.2
533.10748	2.1
543.09814	1.4
545.10938	2.2
549.10553	1.2
557.10632	1.6
561.10205	4.9
595.14349	3.4
605.12958	1.4
713.14984	2.1
731.15497	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	899.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
64.88358	0.6
65.03936	1.1
67.01867	0.7
67.05486	1.2
68.99438	0.8
68.99793	10.8
69.68100	2.0
69.68513	1.6
77.03909	1.2
79.05476	1.0
79.43658	0.6
81.03427	3.2
83.04966	0.8
85.02892	1.1
91.05479	1.4
93.03391	0.9
95.04964	1.8
95.31026	0.7
105.03376	2.1
107.04940	1.3
109.02885	9.2
111.00812	10.5
111.04432	3.2
115.05470	0.7
119.04945	2.3
120.83918	0.6
121.02869	1.5
123.04435	32.9
127.03922	70.4
128.04282	0.9
128.05260	0.6
131.04939	0.8
133.02859	5.6
133.06442	0.7
135.04417	7.1
137.02380	1.4
137.05925	0.9
139.03909	81.6
140.04260	0.7
143.04962	0.9
145.06464	1.1
145.38058	0.6
147.04433	10.2
149.02338	6.5
150.03114	1.4
151.03912	50.2
153.01886	1.2
153.05357	0.9
155.03407	11.3
155.04669	0.6
157.06551	1.0
159.04478	1.6
161.02350	1.5
161.06003	2.1
163.03906	10.1
165.01814	0.9
165.05527	4.4
167.03441	3.4
167.04588	0.6
169.05003	2.6
171.04401	1.9
173.06017	2.4
175.03903	12.0
177.01839	0.8
177.05453	7.2
179.03401	48.3
181.04945	2.1
183.04463	1.1
185.05997	2.5
187.03899	1.4
189.05475	5.0
191.03395	10.9
193.05029	2.6
197.05980	1.6
199.03886	4.6
201.05518	4.0
203.03413	19.6
205.04898	1.2
211.03943	1.1
213.05463	6.6
215.03424	3.1
217.04973	8.2
219.02986	0.9
219.06564	1.5
221.04413	0.9
223.02417	3.4
225.05464	1.0
227.03383	1.9
229.04985	8.8
231.02887	1.2
231.06548	4.4
233.04428	6.4
235.05817	0.8
237.05544	0.8
241.04994	4.9
243.06564	1.1
245.04469	100.0
246.04848	2.5
247.06088	9.1
251.05487	0.9
253.04964	2.1
257.04465	18.8
258.05182	1.4
259.06082	5.2
263.05508	34.8
269.04523	5.4
271.05994	5.0
275.05515	25.1
277.07138	4.6
279.06491	0.7
281.04416	2.2
283.06039	1.7
287.05505	57.3
288.05923	1.5
289.07007	3.1
289.28052	0.8
291.08685	12.5
295.06223	1.4
297.03903	1.9
299.05533	14.7
300.05981	0.7
301.07166	1.7
305.06561	25.0
306.06866	1.0
307.08441	1.5
309.03848	1.8
311.05508	1.6
313.06964	0.7
317.06586	18.2
317.10162	1.5
321.04007	1.0
321.07538	1.5
323.05505	1.9
325.07288	0.8
326.00705	0.7
329.06512	1.4
335.05536	0.9
339.05115	1.5
347.07800	1.4
349.07077	2.0
351.04971	2.7
359.05167	0.7
363.46304	0.8
377.06522	1.5
381.06046	1.2
393.06100	5.2
395.07562	2.0
399.06989	2.2
405.06046	6.0
406.06763	0.9
407.07684	1.8
409.09259	5.4
413.08789	3.8
417.06021	1.2
422.82001	0.7
423.07117	22.2
424.07623	0.9
425.08719	12.7
427.10181	4.5
435.07065	3.8
437.08569	1.3
441.08151	11.8
443.09766	20.5
447.07214	1.5
451.10547	2.0
453.08173	3.8
455.09464	1.8
465.08252	1.9
469.11124	1.4
545.10718	1.7
549.09827	0.8
561.10181	2.0
567.11572	1.5
573.09912	1.8
577.52380	0.8
591.11017	1.0
595.14636	3.4
605.13715	1.2
609.12207	1.2
636.64575	0.7
713.14978	1.3
731.15552	2.0
840.51001	0.8
851.14331	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5736
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	30.0
67.47966	0.9
69.03419	1.3
69.07066	6.7
71.04995	15.3
71.08638	18.1
71.55038	1.3
72.46898	1.1
73.02895	1.6
79.05498	7.0
81.03404	1.0
81.07062	55.2
83.04981	2.5
83.08624	10.7
85.02919	6.9
85.06542	5.8
85.10191	10.0
91.03950	4.9
91.05474	8.9
93.07034	8.0
95.08612	18.2
97.02880	3.5
97.06512	2.3
97.10173	4.6
99.08100	1.1
105.07020	4.1
107.08590	4.6
109.10165	11.9
115.70586	0.9
117.06977	1.5
121.10135	2.4
123.11707	12.2
127.03863	1.5
131.08585	1.3
133.10143	11.4
135.11659	1.4
145.04901	1.5
149.13226	2.3
151.11209	4.9
159.11687	3.5
163.06020	1.6
169.12254	1.5
183.13847	1.8
187.13284	3.5
221.64211	1.0
239.23743	2.0
269.14908	1.1
269.17374	6.2
301.20148	13.4
313.27341	14.5
481.38919	68.6
482.39267	2.4
495.40076	2.2
507.40152	6.5
539.43097	100.0
540.43182	4.5
683.47015	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38700	0.7
65.03924	2.0
67.05502	1.6
68.99792	12.5
70.57171	2.1
81.03438	4.4
83.04981	1.3
89.03925	1.3
91.05482	1.1
93.03418	1.1
94.65353	0.7
95.04983	2.2
105.03407	2.0
107.04956	1.8
109.02888	8.9
111.00833	10.4
111.04440	2.7
119.04933	2.3
121.02872	2.8
123.04440	33.4
123.05329	1.8
124.96698	0.8
127.03930	73.2
131.04933	2.6
133.01921	1.0
133.02850	6.0
135.04422	22.7
137.02344	2.1
139.03915	96.2
140.04280	1.3
143.04903	1.0
145.02863	1.0
145.06474	1.0
147.04414	11.2
149.02356	7.9
149.05995	1.5
150.03098	1.3
151.03915	54.6
153.01820	1.3
155.03410	12.2
155.06001	1.2
157.06529	1.2
159.04427	3.4
161.02377	1.2
161.06023	3.7
163.03912	26.5
165.05511	4.7
167.03369	2.4
169.04984	2.6
169.06406	1.0
171.04414	3.1
173.05971	3.5
175.03905	9.9
177.05469	7.3
179.03409	41.5
181.04938	2.1
183.04396	1.4
185.06029	1.8
187.03886	2.9
189.01855	1.0
189.05481	6.9
191.03412	12.3
193.04993	3.0
193.27396	0.8
197.06027	2.4
199.03952	4.4
201.05492	6.0
201.07108	1.1
203.03404	22.9
205.04961	2.0
213.05495	6.8
215.03381	3.1
217.05000	8.4
219.06461	2.2
221.04413	1.3
223.02344	2.6
227.03386	2.3
229.04947	12.6
230.05737	1.0
231.03014	1.2
231.06514	2.9
233.04503	4.9
239.03296	1.0
239.06876	0.8
241.04893	6.4
243.03009	1.1
243.06531	0.9
245.04482	100.0
246.04771	2.6
247.06055	24.2
251.05540	1.7
253.04982	1.4
255.06502	1.9
257.04483	20.7
258.05139	2.0
259.05981	10.2
263.05548	30.1
264.05844	1.4
269.04453	7.5
271.06027	8.4
274.04800	2.2
275.05533	25.6
276.05774	0.8
277.07144	6.3
279.02948	0.8
279.06274	0.9
281.04523	2.6
283.06006	4.4
285.03857	1.6
286.04617	0.9
287.05515	54.5
288.05969	1.2
289.07132	13.3
291.08762	5.1
293.04532	1.5
295.05945	3.0
297.03989	2.5
299.05521	10.5
301.07108	10.6
303.05032	1.1
305.06586	23.1
307.08362	6.5
309.03851	2.3
311.05460	2.4
313.06989	1.1
317.06647	8.7
321.07587	1.5
323.05420	1.8
329.06702	1.0
337.07040	0.9
349.07086	1.3
351.05118	3.9
361.07129	1.5
365.06564	2.2
377.06482	1.6
379.08197	2.4
381.05832	1.2
383.07666	2.3
391.07864	1.2
393.06119	4.9
395.07635	1.2
397.08896	0.9
399.06647	1.2
405.05966	4.6
407.07663	19.6
409.09332	9.1
413.08765	5.1
417.06458	1.1
419.07523	2.2
423.07098	11.8
425.08713	19.3
427.10324	14.3
431.08197	1.0
435.07190	2.9
437.08722	2.9
441.08194	5.7
443.09769	14.2
449.08618	2.7
451.10507	2.5
453.08066	1.9
465.08286	1.5
467.09726	1.8
469.11185	2.1
533.10687	1.4
543.09381	1.6
544.70288	0.9
545.10730	2.0
551.11719	3.5
557.10559	1.3
561.10260	3.8
573.10114	0.9
591.11908	0.9
595.14545	2.5
695.13776	1.0
713.14557	1.8
731.16278	1.0
747.15411	1.0
850.27710	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.5078
Annotation	Brachystemin E
Peak:m/z	Relative Intensity
67.05506	3.8
69.03440	3.3
69.07080	4.1
69.62916	1.0
69.63330	2.0
71.04994	2.0
73.02917	2.9
79.05503	3.5
81.03014	0.4
81.03432	2.0
81.07066	4.6
82.09363	0.4
83.05000	0.8
83.08627	1.2
85.02911	3.9
91.03956	2.1
91.05495	3.4
93.07043	3.1
95.05006	1.0
95.08634	1.4
97.02885	3.6
97.06552	0.7
97.10170	2.1
101.02409	1.0
105.07068	1.7
107.04969	0.4
107.08614	2.4
109.02925	0.5
109.06541	0.4
109.10189	1.5
117.07063	1.2
119.08624	1.5
121.10172	1.0
125.09679	1.5
127.03946	1.1
127.08892	0.4
131.08603	0.7
133.10201	1.0
135.08131	0.6
135.11708	0.6
145.10225	0.6
147.11745	0.7
149.09677	0.7
159.11758	0.7
180.65498	0.4
185.04329	0.6
201.04042	0.5
215.39549	0.4
223.13441	1.3
225.44864	0.3
243.08415	3.7
291.19565	1.0
301.20319	1.2
331.18927	1.3
365.23141	1.9
408.21304	0.4
413.17645	0.4
421.26010	0.6
485.23892	0.5
513.23505	0.5
532.36713	0.4
549.26807	5.5
583.30872	7.3
680.83246	0.6
703.96057	0.4
729.47217	0.7
873.49323	0.5
891.50769	100.0
892.51105	6.9
893.74048	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
63.26241	0.7
67.05511	7.2
69.03436	3.0
69.07064	2.1
72.65871	0.7
73.02914	3.1
79.05485	3.3
81.03426	2.5
81.07058	5.0
83.08630	1.2
85.02914	5.7
91.03970	2.4
91.05479	1.6
93.07068	2.6
95.04988	0.9
95.08626	2.5
97.02895	5.4
98.08879	0.7
99.04453	1.0
101.02399	1.6
103.05508	0.9
105.07052	2.2
106.22968	0.7
107.08631	1.5
109.02832	0.9
109.06524	1.0
109.10173	5.9
119.08601	1.5
121.10143	1.0
124.53640	0.7
127.03930	1.3
131.08606	0.9
133.10123	0.9
137.09697	0.9
145.10123	0.9
145.64886	0.7
147.11754	0.8
173.11745	1.6
180.76385	0.6
185.04239	1.5
189.84512	0.6
201.03748	0.7
229.14565	0.9
243.08459	3.0
275.20337	0.8
301.09113	2.6
315.10837	0.6
333.20392	3.2
373.11563	1.3
385.18530	2.2
408.03757	0.7
413.17853	11.7
439.19534	1.5
453.21219	0.9
469.20425	1.7
481.20270	0.8
499.21664	1.1
541.22687	4.3
551.28290	8.5
610.29736	1.0
611.29681	1.1
623.30518	2.1
625.32269	1.7
723.39313	100.0
724.39832	6.1
731.46240	1.1
751.42041	3.6
779.41663	4.5
893.48706	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	893.5234
Annotation	Unknow
Peak:m/z	Relative Intensity
63.93241	0.5
67.05508	4.7
69.03433	2.8
69.07075	3.6
69.62399	0.4
71.01332	0.4
71.04998	1.9
71.54797	0.7
73.02924	3.2
79.05502	3.4
81.03405	1.3
81.07072	4.5
81.11401	0.4
83.04990	0.8
83.08615	0.9
85.02914	5.5
91.03941	2.0
91.05495	3.8
93.07037	3.0
95.04954	0.6
95.08602	2.1
97.02895	3.5
97.06535	1.0
97.10178	1.3
99.04470	0.9
101.02380	1.6
103.03959	0.5
105.07033	2.4
107.08622	2.1
109.02855	0.7
109.10177	0.9
117.07063	1.0
117.55945	0.4
119.08640	1.8
121.10107	0.8
125.09641	0.6
127.03910	1.0
131.08582	0.9
133.10138	0.8
135.11705	1.0
145.10098	0.6
147.11678	0.5
149.09712	0.4
149.32536	0.4
151.47903	0.4
152.91510	0.4
159.11682	0.6
162.53561	0.6
171.11694	0.5
185.04221	0.5
203.05293	0.6
241.06558	0.4
243.08423	3.4
301.08896	1.1
315.10693	0.6
333.20267	1.7
365.22934	2.5
413.17792	0.6
419.22864	0.4
421.25360	0.5
439.19150	1.3
485.23569	0.9
513.22638	0.4
551.28412	6.2
562.97321	0.4
583.30872	5.9
623.30121	0.8
765.41370	0.6
807.41479	0.5
893.52362	100.0
894.52478	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	891.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01658	0.5
67.05520	2.5
67.22083	0.6
69.03436	3.1
69.07080	1.3
70.56344	1.8
71.04989	1.4
73.02927	4.3
74.54414	0.5
79.05498	2.7
81.03429	5.2
81.07077	2.3
83.05019	1.0
83.08635	1.4
85.02917	7.2
91.03969	2.9
91.05486	2.8
93.07063	2.2
95.05013	1.3
95.08642	0.9
97.02903	5.8
97.06586	0.8
101.02428	1.9
105.07055	1.5
107.05050	0.6
107.08607	1.1
108.01759	0.5
109.02891	1.1
109.06631	0.5
109.10178	0.6
111.08112	0.8
114.84544	0.6
119.08613	1.4
120.38316	0.6
121.10188	1.2
127.03938	2.0
129.07019	1.1
131.08604	0.9
133.10156	1.9
137.06042	1.2
147.11736	1.8
149.09625	0.9
157.10143	1.1
175.11281	1.6
182.58688	0.6
193.12323	1.4
211.13416	0.9
243.08479	2.0
267.16098	0.8
283.15305	2.3
285.10052	0.9
307.15222	0.8
347.09766	2.5
365.10852	1.4
405.13727	4.9
405.97620	0.6
469.20486	8.3
501.23047	7.1
611.11841	0.6
631.25830	6.8
663.28455	7.4
681.63269	0.8
729.36975	2.6
891.42047	100.0
892.41785	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	891.472
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05219	1.5
67.05511	11.3
69.03427	6.1
69.07070	3.3
70.16544	1.5
73.02913	5.9
79.05499	5.2
81.03446	1.9
81.07052	7.2
85.02899	7.2
91.03969	2.9
91.05487	3.6
93.07030	3.3
95.08611	2.4
97.02918	6.7
97.10178	1.7
98.20757	5.1
101.02383	2.8
107.08598	3.4
109.10166	5.8
119.08579	2.8
127.03930	4.0
141.11739	2.0
150.09114	2.0
162.51878	1.8
165.33102	1.6
185.04128	2.3
186.71016	2.1
229.40427	2.3
243.08444	5.2
301.08884	3.8
331.18677	2.6
385.18173	2.7
413.17923	11.2
451.19064	2.2
485.65076	2.0
510.55270	1.9
539.20905	3.7
549.26379	5.5
621.28888	3.4
623.30243	6.1
653.31604	3.4
681.34253	2.7
721.37732	100.0
722.37726	2.7
725.60400	2.5
747.39514	15.5
749.40436	5.4
777.39941	3.1
820.22156	1.9
891.47382	54.6
892.48846	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	888.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	5.7
67.05511	95.6
69.03420	8.2
69.06725	3.5
69.07070	36.3
71.05001	15.6
71.55545	3.0
79.05500	68.8
81.03419	17.0
81.06586	5.3
81.07063	100.0
83.04974	13.5
83.08614	21.3
85.02882	6.1
85.06538	5.5
87.04438	2.9
91.03966	3.3
91.05488	57.1
93.06477	4.3
93.07052	77.3
95.04979	14.9
95.08613	42.6
97.02895	6.5
97.06008	2.3
97.06550	24.7
97.10172	12.4
99.04465	4.0
99.08085	2.8
101.88417	2.4
105.07031	48.8
107.04963	9.3
107.08600	46.6
109.02848	2.2
109.06532	10.7
109.10168	35.1
111.08055	6.6
115.05423	4.5
117.07019	30.9
119.08598	37.1
121.06468	7.1
121.10143	23.0
123.08041	5.0
123.11715	4.7
125.09644	11.7
127.03899	4.6
129.06979	11.4
131.08574	33.8
133.06509	4.8
133.10153	30.8
135.08067	7.8
135.10841	2.3
135.11685	14.2
137.09637	4.1
141.07018	3.8
142.07747	3.0
143.08615	12.9
145.10139	25.5
147.08069	4.6
147.11690	17.6
149.09633	15.4
149.13266	16.3
149.17847	2.4
151.11194	4.4
155.08551	7.0
157.10149	10.0
159.11705	20.5
159.16322	2.2
161.09676	2.9
161.13266	6.0
163.11209	9.9
167.08583	3.1
169.10106	6.5
171.08055	3.3
171.11700	9.9
173.04491	4.9
173.11746	5.8
173.13251	7.3
175.11093	3.5
175.14862	2.4
177.12813	4.0
181.10161	2.7
183.11691	4.0
185.13152	2.4
187.11224	2.7
189.11208	3.8
195.11745	4.3
195.13673	4.5
197.13326	5.1
199.14809	3.0
209.13188	2.6
227.12793	10.5
229.14331	14.0
239.18071	4.0
247.20648	4.3
255.15802	6.2
257.19012	11.5
267.15921	4.0
269.17459	25.0
273.18533	2.9
275.20087	39.5
291.19461	2.9
293.20926	3.4
307.22534	2.4
331.22696	7.4
349.23737	33.2
349.27713	4.5
367.24881	5.6
409.25784	7.6
413.21851	4.3
423.27457	24.1
433.30884	2.9
445.29361	7.5
449.29230	17.7
451.32065	3.6
463.30634	30.3
503.33331	8.1
515.37317	3.5
521.34601	5.2
525.36053	12.7
529.34845	6.6
543.36926	67.3
561.38342	12.8
575.39276	8.1
593.32880	4.4
607.34814	15.0
623.42535	6.6
641.44189	5.9
655.45587	2.7
687.39783	5.9
705.40796	3.3
888.54462	3.8
889.47040	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	888.5337
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	3.9
67.05508	100.0
67.33436	1.2
68.05848	1.6
69.03423	7.8
69.07071	26.9
69.76265	1.2
71.01355	1.3
71.04992	4.9
71.55356	1.6
73.02911	2.4
79.05495	47.1
81.03423	17.9
81.07061	66.8
82.07410	1.7
83.04991	12.3
83.08628	18.5
85.02905	12.6
85.06544	4.3
87.04462	3.2
91.05486	44.0
91.77049	1.2
93.06477	2.6
93.07051	47.1
95.04974	11.7
95.08611	26.8
97.02904	5.0
97.06538	12.1
97.10178	13.9
98.50861	1.2
99.04432	2.8
99.08091	4.2
103.05489	2.4
105.07039	31.4
107.04962	10.3
107.08599	30.8
108.08914	1.4
109.06525	6.8
109.10161	50.9
110.10487	1.3
111.04404	1.5
111.08074	6.6
113.05956	1.8
115.05460	1.6
117.07022	13.8
117.10855	1.4
119.08588	24.7
121.06477	4.7
121.10150	15.7
123.08070	3.6
123.11710	3.4
125.09630	11.7
127.03920	1.9
129.05444	4.4
129.07013	5.0
131.08585	14.7
133.10130	16.3
135.08051	4.6
135.11687	15.2
137.09604	4.3
139.11200	2.9
141.06935	1.6
142.07799	2.0
143.08553	2.7
145.06477	1.4
145.10123	13.3
147.08069	3.4
147.11705	11.3
148.11984	1.3
149.09639	9.0
149.13304	6.4
151.11156	2.0
153.12727	2.8
155.08565	1.7
155.10635	3.3
157.10158	5.5
159.11711	12.1
161.09630	1.7
161.13203	2.5
163.11172	11.5
165.12730	2.4
169.10133	2.4
171.11713	2.8
173.04440	1.5
173.09616	2.7
173.11742	15.5
173.13158	3.1
175.11156	2.4
177.12744	3.2
179.14304	2.4
181.12201	3.7
187.11133	1.5
189.11203	3.4
191.10683	2.4
193.12288	4.7
193.65421	1.1
195.13794	4.7
197.13362	1.5
199.13319	4.7
209.11798	3.2
219.13649	1.4
227.12804	10.1
229.14360	36.8
229.19269	1.3
239.17978	2.7
247.20596	2.0
255.15883	7.1
257.18991	4.3
265.14328	1.5
265.64908	1.3
267.15887	6.0
268.16214	1.3
269.17456	16.6
275.20099	22.4
275.22824	2.5
283.15372	2.8
285.17084	2.7
291.19510	2.9
293.20975	3.8
301.16504	8.8
335.25702	3.9
336.26169	2.3
349.23788	15.2
365.23163	3.3
367.24854	2.7
399.23877	10.4
409.26062	5.7
423.27292	17.8
447.27689	1.5
473.32938	1.3
477.28339	1.9
495.29346	3.0
497.96133	1.6
503.33737	8.6
521.34491	1.5
546.38708	3.1
575.35657	2.5
579.35309	3.0
593.36755	18.7
673.42267	2.2
691.43488	2.0
821.17767	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5342
Annotation	Unknow
Peak:m/z	Relative Intensity
62.12035	0.8
65.03959	2.4
67.05510	57.0
68.20493	0.7
69.03439	3.2
69.07075	13.9
71.05009	4.3
71.08636	1.3
71.24521	1.0
73.02914	5.3
73.25142	0.7
79.05498	34.2
81.03445	3.3
81.07063	64.8
82.07456	0.9
83.04991	5.5
83.08624	11.7
85.02905	11.5
85.06558	2.9
86.03281	0.8
90.26802	0.8
91.03961	5.6
91.05491	18.7
91.06019	1.5
93.07050	48.9
95.04971	5.1
95.08611	30.1
97.02892	6.8
97.06544	8.2
97.10182	1.5
99.04486	1.0
99.08140	1.9
105.04552	1.2
105.07028	10.3
107.08600	27.6
107.09293	1.7
109.06552	2.5
109.10171	12.3
111.08087	3.9
117.07011	6.3
119.08578	6.9
121.06544	0.9
121.10155	19.1
123.11750	2.9
127.03937	2.6
129.07065	1.0
131.08577	9.2
133.10152	8.8
135.11694	10.7
139.11240	1.5
143.08652	1.4
145.04984	1.4
145.10123	3.8
147.11685	4.3
149.09677	0.9
149.13269	21.3
157.10168	1.0
159.11688	9.9
161.13374	2.6
163.06076	2.2
163.14900	2.2
165.12830	1.2
173.13354	2.5
177.12816	3.6
187.14925	1.2
195.12100	1.5
195.13802	8.3
201.16422	1.1
213.14915	2.0
229.14377	1.6
243.08612	1.0
243.21260	2.1
253.14507	1.0
259.20316	0.9
261.22168	8.4
267.16068	2.3
269.17490	83.4
270.17859	1.8
291.19849	1.0
293.21115	1.1
317.24869	1.7
335.25818	50.8
336.26315	1.1
405.14011	1.2
437.34314	1.7
452.30103	1.0
469.20486	1.2
470.20697	1.6
497.31500	1.0
511.37808	1.2
529.38940	100.0
530.39264	5.8
547.40308	2.7
632.26044	1.8
660.36694	1.3
726.45038	1.1
888.50116	41.4
889.50531	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	888.5318
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	2.6
67.05510	58.2
68.05827	1.3
69.03429	4.5
69.07074	16.6
71.04997	3.0
71.08628	1.4
71.24712	1.6
73.02921	3.1
78.74964	1.3
79.05497	39.2
81.03416	4.0
81.07063	64.2
83.04984	5.8
83.08614	10.6
85.02908	13.1
85.06530	2.3
91.03976	7.3
91.05488	27.2
92.05814	1.7
93.07051	50.4
95.04973	5.7
95.08611	30.7
95.09128	0.9
97.02874	6.0
97.06556	6.1
97.10181	4.1
99.08082	1.7
105.04494	1.4
105.07042	14.0
107.04935	1.1
107.08602	26.8
109.06525	3.7
109.10168	15.7
110.10531	1.3
111.08098	3.2
117.07030	9.0
119.08588	9.1
121.06558	1.3
121.10152	15.2
123.08090	1.7
123.11726	5.7
127.03941	2.2
131.08580	10.2
133.10138	15.1
135.11708	12.4
137.09583	1.2
145.04964	2.3
145.10110	5.5
147.11693	4.4
149.09615	1.6
149.13264	11.1
151.11206	3.3
157.10155	1.9
159.11723	8.7
161.09630	1.2
161.13258	3.4
163.06049	3.5
163.11212	1.8
163.14813	1.7
173.11826	2.0
173.13229	2.7
175.14842	1.2
177.12759	3.3
195.12241	1.1
195.13757	8.1
207.87485	1.1
213.14861	1.3
229.14371	5.2
243.21103	3.6
253.14342	3.4
254.14645	1.6
261.22162	8.7
267.15845	2.3
269.17499	53.4
270.17902	1.8
291.19421	1.5
293.21088	3.7
335.25827	78.6
336.26117	2.1
366.23709	1.3
381.69943	1.3
423.27667	1.4
437.34290	2.5
455.34827	1.7
529.38910	100.0
530.39154	5.0
547.39825	2.4
559.06702	1.4
561.51239	1.3
691.43671	2.7
757.68652	1.2
888.50116	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	887.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.6
67.05516	5.4
69.03436	3.6
69.07072	1.4
69.72506	0.4
70.20347	0.5
70.20683	1.7
71.01377	0.7
71.05023	0.7
71.08640	1.3
73.02927	4.0
76.95002	0.4
79.05492	3.0
81.03434	3.1
81.07072	3.6
82.82411	0.4
83.05007	0.8
83.08647	1.7
85.02914	6.6
85.03372	0.6
85.06555	0.5
85.10207	0.6
91.03976	4.1
91.05468	2.0
91.23906	0.4
93.07057	3.3
95.04997	0.9
95.08609	2.9
97.02916	6.2
97.06516	0.6
97.10192	0.8
99.04482	0.7
101.02390	2.4
103.04009	0.5
105.07053	1.9
107.04984	0.4
107.08602	2.1
109.02908	1.0
109.06545	0.4
109.10169	1.9
115.03955	0.6
117.07075	0.5
119.08607	1.1
121.10181	0.7
123.11761	0.7
127.03979	1.8
129.07063	0.5
131.08614	0.9
133.10191	1.0
137.63246	0.4
145.05000	0.6
147.11797	0.8
149.13298	0.9
157.10153	0.6
159.11684	0.5
174.86931	0.4
175.11189	0.8
185.04327	1.2
193.12343	0.8
203.05203	0.5
211.13342	0.6
243.08501	2.1
253.14496	0.5
269.17584	1.7
313.27560	1.0
318.79449	0.5
335.25705	2.6
347.09589	2.5
365.10706	1.1
366.64209	0.4
405.13705	5.3
414.04846	0.4
455.22913	0.7
469.20496	7.3
497.30835	4.6
529.38965	3.4
611.40265	0.4
631.25806	6.7
659.36243	4.7
725.45093	2.4
887.49811	100.0
888.49689	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	886.5523
Annotation	Unknow
Peak:m/z	Relative Intensity
62.49504	2.2
65.03949	2.3
67.05183	3.9
67.05513	60.2
67.75172	1.9
69.03442	11.9
69.06741	2.2
69.07077	41.3
71.05010	13.1
71.55611	3.0
77.81747	2.1
79.05499	45.0
81.03426	14.1
81.07064	54.2
82.07406	2.6
83.04974	8.5
83.08624	12.9
85.02904	3.0
91.05492	39.8
93.07055	45.9
95.04974	13.4
95.08614	27.1
95.97314	2.3
97.02882	14.8
97.06548	10.3
97.10176	18.7
103.71155	2.2
105.04539	2.5
105.07044	27.9
107.04953	9.7
107.08596	34.0
109.06529	8.0
109.10157	23.3
111.04443	2.1
111.08087	5.3
117.07021	16.7
119.08587	24.4
121.06535	3.7
121.10160	13.3
123.08054	3.7
125.09629	14.3
128.06172	3.3
129.06995	8.4
131.08562	22.7
133.06522	4.9
133.10144	19.8
135.08038	7.4
135.11707	7.9
137.09613	4.9
141.06981	3.8
143.08569	4.2
145.10146	12.2
146.05984	2.8
147.08031	7.3
147.11700	8.2
149.09618	8.8
149.13268	8.9
151.11163	4.5
157.10117	3.4
159.08145	3.0
159.11697	9.2
161.09567	3.9
163.11191	5.7
165.09088	3.4
171.11671	5.6
173.11830	4.0
173.13242	3.1
175.11148	4.2
177.12805	3.5
185.13232	2.2
189.11246	7.3
189.12776	2.4
192.14696	2.6
195.13773	3.5
203.95538	2.1
223.13300	19.0
227.12787	13.0
229.14337	10.5
232.09689	4.2
249.14801	4.0
251.16322	2.5
253.14230	2.4
257.18945	4.9
269.17456	4.1
273.18542	13.6
275.20026	17.2
291.19571	92.4
292.20081	3.7
347.22287	6.3
349.23840	12.5
365.23300	40.1
381.26465	2.2
390.22748	5.2
413.21454	3.7
461.28778	3.2
519.33191	28.0
541.35278	10.2
559.36346	100.0
560.36548	4.2
621.41553	5.3
639.42523	23.6
657.43506	3.3
671.44611	4.9
703.39813	8.0
881.87976	2.4
886.52899	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	885.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	1.9
69.03439	2.8
69.07079	0.8
70.10959	1.7
71.01339	0.6
71.04989	0.6
71.08636	1.0
73.02934	3.3
76.52103	0.4
79.05514	1.2
81.03426	1.9
81.07066	1.8
83.04984	0.4
83.08648	0.8
85.02911	4.8
85.10194	1.0
87.04471	0.4
91.03968	3.2
91.05500	0.5
93.07052	2.4
95.04974	0.5
95.08614	3.0
97.02900	6.0
99.04454	1.1
101.02399	1.9
103.03918	0.4
105.07060	0.7
107.08590	1.8
109.02865	1.0
109.10181	1.1
110.20506	0.4
115.03926	0.7
127.03928	1.6
133.10175	0.5
135.08003	0.4
135.11726	2.6
145.04893	0.5
145.10162	1.7
163.11185	3.5
181.12291	0.5
185.04259	0.9
186.32297	0.4
203.05348	0.6
219.09911	0.6
227.12837	2.7
235.90746	0.5
239.97945	0.4
243.08421	2.4
249.11000	6.6
305.13684	2.2
313.27402	1.2
315.58655	0.4
347.09360	1.9
365.10638	1.3
405.13690	6.4
414.55905	0.4
442.84521	0.4
467.18933	11.9
467.25391	0.8
497.30826	5.4
519.96802	0.4
561.37872	1.1
629.24200	7.7
630.24432	0.7
659.36188	5.0
723.42883	3.5
885.48206	100.0
886.48462	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	886.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	1.8
67.05511	21.8
69.03440	5.9
69.07068	6.0
70.67143	2.6
71.01337	0.9
71.04993	4.3
73.02907	1.7
79.05064	1.5
79.05502	22.4
79.39278	0.7
81.03425	96.2
81.07064	22.1
83.04987	11.0
83.08626	25.6
85.02917	18.4
85.06551	1.4
91.03965	2.3
91.05490	28.5
93.07050	17.5
95.04977	31.0
95.08611	8.4
97.02912	5.0
97.06519	4.1
97.10181	7.3
98.21046	1.8
99.04472	0.8
99.08086	1.2
105.07040	23.8
107.04963	9.9
107.08602	7.9
109.06535	6.2
109.10175	5.2
111.04435	3.1
111.08070	9.6
113.05979	1.0
115.05457	2.3
117.07024	2.9
119.04935	2.6
119.07787	1.4
119.08597	19.1
121.06532	6.6
121.10146	11.5
123.04427	1.4
123.08056	4.2
123.11729	1.8
125.09641	4.9
127.03922	1.4
128.06209	1.1
129.07013	14.7
131.04930	1.4
131.08589	13.6
133.06516	5.2
133.10123	10.4
135.04395	0.8
135.08067	1.8
135.11694	1.4
137.06027	1.3
137.09602	1.6
138.09981	0.9
141.06960	1.6
142.07780	2.8
143.08539	1.3
145.04948	1.1
145.06488	6.6
145.10162	4.1
147.04388	1.2
147.08061	4.6
147.11703	14.0
149.09630	7.2
151.11156	0.8
151.39090	0.9
155.08582	1.9
157.06493	1.6
157.10135	14.1
157.11334	1.4
159.08105	1.2
161.09648	1.7
163.11227	2.8
165.12791	2.5
167.07065	1.0
171.08044	2.2
175.11189	12.8
176.29906	0.8
177.12762	1.1
183.11641	0.9
185.09581	1.7
185.13303	1.0
188.95726	1.0
189.11203	1.4
189.12779	1.0
193.12257	37.6
195.14456	1.0
197.09633	1.4
197.13315	1.4
207.13811	1.3
211.11331	1.4
211.13272	14.4
213.12682	1.2
227.12665	1.4
227.14552	1.1
229.14377	1.6
237.12868	1.1
249.14867	2.2
255.13885	2.8
267.15939	100.0
268.16147	2.0
273.14816	5.9
285.17001	14.9
307.62708	0.8
309.17184	1.0
323.19958	1.0
339.23203	1.3
341.21091	2.0
349.21783	4.1
357.24081	1.2
367.22476	5.9
385.23792	10.0
403.24759	4.0
415.24884	1.5
433.25873	15.3
441.26447	7.0
459.27469	82.4
460.27786	3.2
477.28513	45.6
477.35519	1.8
478.29224	1.3
491.29944	1.2
501.28442	1.7
509.31146	1.6
519.29639	1.3
527.30743	1.0
573.30518	1.4
585.30334	1.6
603.31750	1.4
613.62921	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
65.65678	1.3
67.05508	50.9
69.03416	2.1
69.07064	6.5
71.04995	14.1
71.08638	19.6
73.02923	2.6
79.05512	6.2
81.03427	2.0
81.07056	17.9
83.04986	3.3
83.08630	10.7
85.02923	7.3
85.06551	4.0
85.10177	10.2
91.03954	5.9
91.05465	9.2
93.07058	8.8
95.08608	18.6
97.02884	5.3
97.06541	3.0
97.10181	3.9
97.34681	1.3
98.18947	1.4
107.08614	4.7
109.10157	48.1
111.08091	2.4
119.08601	6.3
119.75191	1.2
121.10151	3.9
123.11726	2.9
133.10132	1.4
135.11740	6.1
137.09569	6.4
143.16713	1.3
145.10130	3.2
155.10687	3.7
163.06100	2.4
163.11159	1.5
163.77202	1.2
173.11754	7.8
173.98892	1.2
181.12242	1.4
198.55217	1.1
203.22719	1.4
210.11688	1.2
229.14510	2.7
229.59122	1.3
239.23622	1.4
243.15976	2.1
255.15971	4.6
287.18546	15.9
313.27307	14.7
335.25943	2.0
467.37338	68.7
468.37534	4.1
481.38498	2.2
489.35538	2.1
493.38626	6.3
525.41547	100.0
526.41919	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	883.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.7
67.05498	1.4
68.99786	9.8
71.04233	1.6
79.05515	1.2
79.58250	0.8
81.03410	2.3
83.04978	1.3
85.02858	0.9
89.03903	1.6
91.05446	1.0
93.03407	3.8
95.04958	2.6
97.02888	1.0
105.03379	1.6
107.04958	5.1
109.02905	4.6
111.00808	12.9
111.03724	0.8
111.04458	11.6
117.03382	2.1
119.04940	1.8
121.02902	3.6
123.04433	63.0
127.03922	78.3
131.04922	2.5
133.02876	1.7
135.04424	52.6
136.04779	0.8
137.02368	4.2
137.03264	0.8
137.05983	1.2
139.03909	88.6
142.64406	0.7
145.02808	1.1
145.06482	1.6
147.04419	9.7
149.02370	10.5
149.05956	2.0
150.03114	1.1
151.03909	40.3
152.04308	1.1
153.01875	1.2
153.05467	1.5
155.03406	1.2
155.04892	2.2
157.06505	2.2
159.04398	3.3
161.05983	4.1
163.03912	38.8
165.01727	1.2
165.05499	7.0
167.03416	3.4
169.04930	2.5
169.06505	2.7
173.06070	5.1
175.03922	6.9
177.05481	9.4
179.03398	32.9
181.04962	3.1
181.06403	0.9
183.04416	2.6
185.05966	2.7
187.02457	0.8
187.03868	5.4
189.05463	4.4
191.03403	14.4
193.04950	3.2
197.04349	0.7
197.05937	4.7
199.03947	1.6
201.05446	10.3
203.03401	21.4
203.07042	1.7
205.04988	3.3
207.06316	1.1
211.03969	1.2
213.05496	6.1
215.03455	2.8
215.06956	2.5
217.05002	5.5
219.03131	0.8
219.06514	1.2
223.02441	3.4
225.05594	1.5
227.03426	0.9
229.04970	16.6
229.06932	0.7
231.02991	1.1
231.06453	6.4
233.04407	7.8
237.05495	0.9
239.02063	0.9
241.04999	4.3
243.06560	5.1
245.04472	100.0
246.04779	2.1
247.06035	62.1
248.06392	1.3
251.05557	1.2
253.05063	1.4
257.04471	24.2
258.05246	2.2
259.06024	12.0
261.07617	5.4
263.05502	10.2
265.05087	0.9
269.04462	6.7
271.06009	16.0
273.04080	1.2
273.07562	1.3
274.04712	1.2
275.05502	33.3
277.07257	1.0
281.04538	2.5
283.06049	5.1
285.03864	2.0
287.05530	42.2
288.05740	0.9
289.07089	29.3
291.08685	11.6
293.04224	1.0
295.06049	2.2
297.03958	2.7
297.07208	0.9
299.05521	15.1
301.07031	8.0
303.08807	1.8
305.06595	11.3
307.08212	2.3
309.03842	2.3
311.05557	2.5
313.07059	1.1
317.03311	1.4
317.06601	13.8
319.06116	0.8
321.07614	1.8
323.05438	2.3
329.06732	1.0
331.05911	1.3
339.05008	1.7
347.07877	1.2
349.06979	1.1
351.04922	3.5
361.06989	1.2
363.04767	0.9
365.05890	2.3
377.06485	1.2
379.07993	2.0
381.06213	1.5
383.07541	1.9
389.06601	1.6
391.07953	1.6
393.06085	6.0
395.07529	2.4
397.09186	9.8
399.07150	2.0
401.06503	0.9
405.06018	5.1
407.07635	9.3
409.09213	14.2
419.07755	2.2
421.09222	1.5
423.07095	15.9
425.03149	1.1
425.08679	15.5
427.10278	13.5
431.07889	1.1
435.06860	2.5
437.08624	5.7
439.10382	1.5
441.08221	8.2
443.09818	19.9
449.08682	2.5
451.10162	2.5
453.08276	5.7
455.09851	1.8
465.08041	1.5
467.09793	1.4
469.11423	1.9
527.09692	1.1
535.12598	1.2
545.10809	3.7
551.11859	1.4
561.10394	1.7
575.12115	1.6
587.11792	1.1
593.12866	1.1
595.14587	5.6
605.12549	1.1
697.14270	1.0
713.15125	1.8
715.16565	1.1
731.15625	1.5
733.98584	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.3
68.99435	0.8
68.99795	8.9
70.69260	1.8
79.05479	0.7
79.15737	0.7
81.03421	4.7
83.04958	0.7
85.02877	1.2
88.08791	0.6
89.03924	0.9
91.05492	0.8
93.03390	1.2
95.04952	2.2
99.04436	0.9
103.05458	0.6
105.03397	1.7
107.04959	3.1
109.02901	7.4
111.00826	8.6
111.04443	4.4
117.03403	1.1
119.04922	1.9
121.02847	1.9
123.04440	40.1
125.93000	0.6
127.03927	70.8
128.04269	0.7
129.06952	0.7
131.04915	1.6
133.02847	2.7
135.04431	31.9
137.02393	3.1
139.03912	66.5
140.04242	1.2
145.02805	1.1
145.06476	1.1
147.04431	9.5
149.02377	6.7
149.05997	1.3
150.03117	1.1
151.03912	36.6
153.01801	1.3
155.03403	9.7
155.04749	1.0
157.06479	0.9
159.04408	2.7
161.02335	1.6
161.05991	3.7
163.03925	35.7
165.01768	0.9
165.05489	5.2
167.03400	2.9
169.04997	2.0
171.04425	2.7
173.05971	2.9
175.03889	7.5
177.05519	6.6
179.03412	25.6
181.04898	1.6
181.06424	1.1
183.04405	1.3
185.05992	2.2
187.03929	5.3
189.05457	5.0
191.03386	10.4
193.04944	2.4
197.05966	2.5
199.03909	3.1
201.05495	5.0
203.03412	21.5
203.06885	0.9
205.04990	2.5
207.02809	0.7
207.06461	1.0
211.03918	1.1
213.05449	6.0
215.03476	3.1
215.07018	1.7
216.04213	1.0
217.05011	6.0
219.02916	0.8
219.06459	1.1
221.04379	1.4
223.02382	2.1
225.05489	1.4
227.03468	1.6
227.06935	0.9
229.04980	10.4
231.06641	3.2
233.04454	4.8
237.05582	1.0
241.04944	5.2
243.02841	0.9
243.06528	2.3
245.04474	100.0
246.04817	2.4
247.03435	1.2
247.06030	22.7
248.06361	0.7
251.05615	1.0
253.04999	2.0
255.06586	2.1
257.04480	16.8
258.05240	0.8
259.06042	11.9
261.07480	1.4
263.05524	21.8
269.04468	7.1
271.06036	10.4
273.07568	2.1
274.04672	2.6
275.05524	22.9
277.07031	4.9
279.06552	0.8
281.04526	3.0
283.06055	7.0
285.03891	2.9
285.07397	1.5
286.04764	0.9
287.05511	43.9
288.05719	0.7
289.07089	18.1
291.08707	12.8
295.06024	2.5
297.03955	1.9
297.07605	0.6
299.05505	7.1
301.07098	12.8
303.05124	1.0
303.08676	2.4
305.06534	12.5
309.03949	1.8
311.05426	1.1
313.07135	1.4
317.06589	2.5
323.05560	3.2
325.07086	1.1
331.08124	1.7
333.07397	0.9
345.07474	1.2
349.07004	1.0
351.04904	3.7
361.07089	2.3
365.06479	2.3
373.07104	0.8
377.06680	1.1
379.08139	3.1
383.07578	2.4
389.06522	1.9
391.08112	1.4
393.06076	4.1
395.07535	1.2
397.09128	1.2
405.06079	2.1
407.07651	28.8
409.09232	16.6
411.10736	2.0
413.08859	5.0
419.07443	3.4
421.09183	1.3
423.07019	1.8
425.08609	13.1
427.10287	16.5
431.07724	1.2
437.08621	4.5
439.10278	2.1
443.10123	1.6
449.08743	3.7
451.10513	1.1
453.12064	1.2
467.09390	1.3
527.09863	0.9
533.10614	1.4
545.10742	3.9
545.36487	0.7
551.11743	3.9
557.10657	1.6
561.10052	1.0
575.11700	0.9
579.15375	3.8
595.14899	0.9
605.11877	1.0
697.15643	1.2
713.14771	1.6
715.17084	0.9
883.33655	0.9
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
67.05510	15.2
69.03416	1.6
69.07073	9.7
71.04997	2.2
71.08635	15.6
71.54919	1.3
73.02899	1.9
79.05500	6.7
79.71120	0.9
81.03415	4.1
81.06583	2.0
81.07063	35.1
81.71604	0.9
82.54456	0.8
83.04975	3.4
83.08626	9.5
85.02918	7.6
85.06548	2.0
85.10194	7.6
85.10632	1.2
87.04472	1.2
89.06060	1.2
91.03940	4.8
91.05479	10.0
93.07059	5.4
95.04956	2.1
95.08602	18.5
97.02892	3.9
97.06526	2.8
97.10177	3.0
99.04504	0.9
99.08069	1.3
105.07037	14.1
107.08581	4.8
107.09750	0.9
109.06507	2.1
109.10161	7.6
113.05986	1.2
119.08582	9.2
121.10152	9.7
123.08086	2.0
123.11713	14.8
127.03909	1.5
127.07594	1.5
129.06966	0.9
131.08557	1.0
133.10182	2.6
137.13272	1.3
145.04980	1.2
147.11693	29.3
157.10074	1.5
165.12759	8.9
169.54892	1.0
175.11285	1.5
177.02425	0.9
193.12340	2.2
211.13370	1.2
229.14323	1.1
239.23653	1.7
257.24747	2.5
267.15930	45.4
281.88150	1.0
285.16986	46.8
313.27396	100.0
314.27765	2.9
437.15875	1.1
463.24994	1.2
505.38815	1.8
523.39960	71.3
524.40204	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	883.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03956	3.2
68.99796	9.6
71.54352	1.3
76.54649	1.1
81.03423	5.8
89.03950	1.5
89.73347	1.2
93.03427	2.2
95.04971	1.5
99.04436	1.4
105.03404	1.6
107.04965	4.8
109.02888	7.8
111.00846	9.6
111.04426	7.1
119.04970	2.9
121.02828	2.6
123.04437	48.0
123.05336	2.7
127.03926	100.0
131.04941	2.0
133.02853	1.6
135.04431	38.9
135.05429	2.5
137.02356	3.0
139.03912	70.1
145.06506	1.6
147.04399	8.4
149.02335	6.2
149.06010	2.2
151.03908	30.3
153.01775	1.7
153.05490	2.0
153.75645	1.1
155.03409	4.6
155.04861	2.9
159.04424	3.6
161.05986	5.0
163.03906	37.6
165.05519	6.2
167.03442	3.0
169.05063	3.0
169.06480	2.4
173.06010	3.6
175.03914	6.6
177.05499	5.8
179.03413	33.0
179.04919	2.6
181.04918	1.9
183.04399	2.7
185.06001	2.1
187.03947	5.4
189.05469	3.5
191.03362	10.2
193.05003	2.5
197.05989	4.1
199.03876	1.9
201.05463	11.6
203.03432	15.9
205.05002	2.2
211.03893	1.5
211.97914	1.2
213.05473	4.4
215.03204	1.6
215.07138	1.8
217.04968	6.1
219.06558	2.3
223.02490	1.4
225.05481	2.2
229.04997	13.7
231.02937	1.3
231.06587	5.2
233.04463	4.9
241.04953	3.6
243.06580	3.9
245.04483	44.6
247.06035	75.0
248.06339	1.7
253.04919	2.4
257.04474	22.5
259.06042	4.9
261.07697	1.4
263.05450	15.9
269.04495	6.6
271.06027	15.8
275.05429	20.0
279.06497	1.4
281.04468	2.8
283.06006	4.3
287.05493	40.1
289.07047	16.9
291.08676	16.3
295.06271	1.8
297.04016	4.2
299.05515	14.5
301.07001	4.0
305.06573	18.8
309.04089	2.9
311.05542	1.5
317.06567	16.1
323.05582	2.1
337.07190	1.6
351.05014	5.0
361.32358	1.5
379.08295	2.0
383.07913	1.3
391.08044	2.1
393.05981	6.3
395.07608	1.5
397.09222	3.8
399.07071	3.8
405.05966	6.0
407.07541	6.9
409.09186	9.7
411.07028	2.2
419.07675	2.3
421.09720	1.5
423.06973	9.5
425.08676	18.5
426.09366	1.8
427.10120	7.8
431.07455	1.4
435.06671	1.7
437.08823	2.9
439.10364	1.3
441.08307	5.4
443.09854	13.8
451.10345	2.6
467.09436	1.6
469.11621	2.3
527.10077	2.8
533.10779	5.6
545.10718	6.2
557.10431	1.9
561.10583	1.6
589.13257	1.7
595.14410	4.1
715.16882	1.6
779.13190	1.3
845.40302	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05180	0.8
67.05511	10.4
69.03431	2.7
69.06774	0.5
69.07082	6.0
69.31590	5.3
70.17769	0.5
71.04990	2.0
71.08639	11.8
73.02914	1.4
77.39029	0.5
77.99351	0.7
79.05506	7.5
81.03423	25.6
81.07066	14.0
83.04987	5.4
83.08620	13.5
85.02905	12.9
85.06528	0.7
85.10191	6.4
87.04470	1.2
87.51464	0.7
91.03948	3.0
91.05495	7.9
92.04305	0.5
93.07050	5.6
95.04981	10.6
95.08617	12.5
97.02914	4.3
97.06511	1.8
97.10193	3.4
98.20717	0.9
101.05994	0.7
105.07037	7.3
107.04974	2.6
107.08602	3.9
109.06532	2.1
109.10161	4.3
111.04462	1.2
111.08085	3.8
112.92767	0.6
113.05994	0.7
117.07016	0.9
119.08589	7.1
121.06490	0.8
121.10143	3.1
123.08115	1.0
123.11719	2.2
127.03894	1.4
129.07021	3.2
131.08582	3.6
133.06525	1.5
133.10159	3.5
135.11699	1.9
137.09663	0.8
137.13300	0.9
142.07777	0.7
145.05017	0.9
145.10179	1.3
147.08040	1.3
147.11711	5.4
147.98688	0.6
149.09605	2.3
157.10129	5.9
163.06078	1.2
163.11182	2.1
164.11597	0.9
165.12753	1.5
175.11191	6.2
189.71304	0.5
193.12256	19.7
197.75832	0.5
211.13309	24.9
227.12814	1.6
228.13104	0.9
239.23753	1.0
257.24677	1.2
267.15942	11.6
283.15475	2.3
284.15753	1.8
285.16977	25.7
286.16959	0.6
313.27383	37.0
314.27792	2.8
315.28055	1.3
429.21597	0.7
437.91183	0.6
505.38995	8.9
511.39743	0.5
521.38599	1.6
522.38806	1.8
523.39972	100.0
524.40625	3.2
589.63782	0.5
682.57281	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	0.9
67.05180	1.5
67.05512	23.9
69.03413	1.8
69.07078	16.1
70.09827	4.2
71.04987	2.5
71.08638	18.8
73.02911	2.6
79.05497	12.3
81.03426	2.3
81.07064	76.8
83.04996	6.3
83.08626	13.1
85.02909	10.8
85.06550	5.0
85.10194	11.9
87.04457	1.3
89.06013	0.9
91.03967	8.0
91.05496	18.3
93.07051	10.3
95.04993	2.0
95.08616	29.4
97.02903	5.1
97.06531	4.6
97.10178	5.1
99.08099	3.6
101.02463	0.9
101.05995	1.6
103.07593	1.5
105.07042	25.7
107.08605	11.7
109.06519	4.0
109.10162	8.1
111.08080	1.7
111.11687	1.1
113.06055	1.1
119.08588	24.7
121.10153	17.5
123.08083	2.3
123.11724	25.8
127.03932	1.7
127.07564	2.7
129.06934	1.3
131.08598	1.4
133.10117	1.9
137.13243	3.1
145.04968	3.1
145.10156	1.1
147.11700	52.4
149.09628	1.1
157.10179	1.8
163.06062	3.1
165.12770	21.9
175.11197	2.2
180.02068	1.1
183.13811	2.9
193.12289	1.8
229.14415	2.5
236.23460	0.9
239.23705	3.3
240.76411	0.9
257.24844	2.6
267.15939	82.7
268.16360	1.3
285.16989	92.0
286.17242	1.8
313.27390	92.8
314.27615	2.7
331.28394	1.9
335.25812	1.6
387.26520	1.1
523.39996	100.0
524.40234	5.1
529.38989	1.8
656.97650	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	0.9
67.05509	16.8
69.03436	3.6
69.07077	7.7
71.04996	3.4
71.08639	15.0
71.55698	0.4
73.02936	2.9
75.04456	0.4
77.55607	0.4
79.05501	11.5
80.78402	0.4
81.03426	34.1
81.07064	21.1
83.04992	8.3
83.08627	16.9
85.02911	21.8
85.06518	1.5
85.10188	10.4
87.04426	0.4
89.06013	1.1
91.03970	6.9
91.05488	15.4
93.06487	0.5
93.07050	8.6
95.04387	0.7
95.04977	14.1
95.08616	15.5
97.02901	6.8
97.06551	2.4
97.09633	0.5
97.10182	4.7
99.04420	0.9
99.08096	0.9
103.07560	0.8
103.08235	0.5
105.06398	0.6
105.07043	9.1
107.04967	4.1
107.08597	4.1
109.06523	2.9
109.10164	6.3
110.38078	0.4
111.04440	0.7
111.08089	6.3
111.11658	0.5
113.05956	1.4
115.05450	0.6
117.07000	0.9
119.04935	0.4
119.07806	0.8
119.08594	10.3
121.06470	0.6
121.09341	0.5
121.10154	5.6
123.08042	1.6
123.11713	3.8
125.09579	1.1
126.10210	0.7
127.03909	3.2
129.07025	6.0
131.08577	7.0
133.06483	1.0
133.10152	6.6
137.09593	0.5
137.13242	0.8
139.43570	0.4
142.07738	1.2
145.04976	2.7
145.10110	0.9
147.08043	1.8
147.11703	8.5
149.09631	3.0
157.10149	8.1
163.06039	3.0
163.11217	0.5
165.12770	1.4
175.11209	8.4
193.12260	26.4
194.12671	0.5
210.61302	0.4
211.13310	41.0
212.13641	0.6
239.23747	2.0
257.24725	1.2
267.15945	17.2
285.16992	61.2
286.17480	0.8
313.27390	64.1
314.27719	1.0
355.04266	0.4
422.13770	0.4
505.38962	14.3
506.39209	0.5
523.40002	100.0
524.40375	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	882.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	0.8
67.05170	1.3
67.05505	15.2
69.03430	2.8
69.07073	7.5
71.04976	1.1
71.08637	15.7
73.02921	2.0
79.05497	9.2
81.03422	25.1
81.07061	16.7
83.04983	5.9
83.08620	13.7
85.02908	16.2
85.10179	7.7
87.04465	1.5
89.06022	1.1
91.03972	4.8
91.05485	13.1
93.07049	8.5
95.04971	12.8
95.08614	13.9
97.02888	5.0
97.06539	1.4
97.10155	4.4
99.11681	0.7
103.07577	0.9
105.07034	9.3
107.04922	3.6
107.08610	2.4
109.02901	1.0
109.06527	2.6
109.10163	6.3
111.04462	1.5
111.08083	4.1
113.06033	1.7
115.05457	0.8
117.07036	0.7
117.52572	0.8
119.08589	7.4
121.10114	4.4
123.08076	0.7
123.11729	2.6
124.45655	0.8
126.10275	5.6
127.03984	2.4
129.07025	4.6
131.08571	4.9
133.06482	1.4
133.10141	6.3
137.13303	1.5
142.07774	1.3
145.04927	1.5
145.10156	1.0
147.08070	1.8
147.11702	7.2
149.09641	2.8
157.10109	6.1
163.06059	1.1
165.12724	1.0
175.11230	5.4
175.12518	0.9
193.12251	16.2
193.13878	1.3
211.13292	22.5
239.23697	1.8
267.15927	12.8
285.14554	0.6
285.16977	31.6
313.27374	61.4
314.27637	1.5
325.75372	0.9
505.38916	15.4
523.39984	100.0
524.40417	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	880.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	2.9
65.03909	0.8
67.05507	11.4
69.03395	1.3
69.07072	8.4
71.04971	1.7
71.08634	14.3
71.54979	0.8
72.26798	0.5
73.02882	1.7
77.91434	0.6
79.05495	12.6
80.83286	0.4
81.03395	1.6
81.07061	16.3
83.04963	1.6
83.08620	9.6
85.02911	3.0
85.06489	0.7
85.09721	0.7
85.10188	8.9
89.06028	0.8
91.03928	1.6
91.05489	4.6
93.07052	19.8
95.04973	4.6
95.08611	29.4
97.02883	4.7
97.06495	1.6
97.10190	3.3
99.04442	3.4
99.11725	0.8
103.05441	0.5
103.07564	1.0
105.07030	3.7
107.04962	5.1
107.08601	17.4
109.02843	0.5
109.06507	1.0
109.10157	5.8
111.04411	0.7
111.08104	1.0
111.11699	0.5
113.57507	0.5
117.07021	6.0
119.08572	5.8
121.06519	4.0
121.10152	7.8
121.45738	0.5
123.11660	1.5
125.05978	2.0
127.03908	0.7
130.07776	0.9
133.10172	2.3
135.08032	1.6
135.11699	36.0
136.12064	0.5
137.13220	1.1
139.07562	1.2
142.41162	0.4
145.10132	17.8
153.12828	0.6
163.06044	1.1
163.11188	43.1
164.11411	0.7
173.09573	0.5
176.16632	0.5
181.12251	7.3
209.11754	1.1
227.12793	49.3
239.23795	0.7
257.24753	1.8
274.99960	0.5
283.15411	86.4
284.15683	1.7
309.67410	0.5
313.27377	86.0
314.27759	2.5
348.76273	0.5
521.38409	100.0
522.38507	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	879.47
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	6.0
63.19420	1.0
67.05507	2.4
67.19016	1.0
69.03434	2.4
69.07086	1.1
70.16039	0.9
73.02926	3.7
79.05505	2.7
79.42060	1.0
81.03422	1.8
81.07074	2.4
85.02917	7.1
91.03963	4.4
93.07055	2.9
95.08629	1.7
97.02895	4.7
98.51150	1.0
101.02406	1.8
105.07040	1.3
107.08593	1.3
109.02874	0.9
112.89061	1.1
127.03948	1.4
135.11713	1.6
146.63228	1.0
185.04288	1.4
243.08559	2.6
347.09378	2.3
405.13876	4.3
439.19638	3.8
519.29468	4.6
601.24524	2.1
681.34827	6.1
717.40588	1.8
879.47119	100.0
880.47504	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	880.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	4.1
66.04713	0.6
67.05495	2.0
68.65369	0.4
69.03416	1.9
71.55790	0.6
75.04476	2.2
77.03909	1.1
78.04713	1.4
79.05499	2.8
79.83473	0.5
81.03413	2.1
81.07037	0.8
82.04218	0.6
85.02908	4.6
89.03917	0.7
91.05480	6.3
92.32523	0.5
93.03410	7.5
93.07067	3.5
94.04170	1.1
95.04971	4.7
97.02885	1.4
97.06530	1.8
103.04792	1.1
103.05473	20.7
105.03400	1.8
105.04502	0.7
105.07053	3.3
106.04177	12.3
107.04956	6.4
108.02100	1.4
109.02882	0.5
109.06506	1.9
110.03651	1.7
111.04433	2.1
115.05466	3.4
117.03338	0.6
117.07050	3.4
118.04164	4.1
119.04925	2.1
119.08569	0.7
120.05685	0.5
121.02766	0.6
121.06510	12.8
122.03650	3.2
123.04418	2.7
123.08044	0.6
124.05255	0.5
125.06020	6.7
127.03941	0.5
129.07004	1.3
130.04193	0.9
131.04938	24.6
131.08661	0.6
132.05713	1.0
133.02846	1.2
133.06506	4.1
134.03664	2.2
135.04401	1.6
135.08055	1.9
137.05983	42.3
138.06688	0.7
139.07536	1.6
141.05402	0.6
141.06973	0.6
142.02499	0.5
143.04890	1.9
144.05714	0.9
145.04846	0.6
145.06499	3.4
146.03615	1.2
147.04376	1.8
147.08006	0.8
148.05200	9.9
149.02477	0.5
149.05991	22.6
151.03912	70.4
151.05002	4.3
151.07487	1.9
152.04320	1.2
152.08208	0.7
153.05470	6.2
153.09090	5.3
157.06497	1.3
159.04399	0.8
159.08061	1.5
160.05199	1.4
161.05952	2.9
162.01369	1.7
163.03941	2.4
163.07550	25.0
165.05484	3.2
165.06699	0.5
166.06239	1.0
167.07057	14.8
171.04420	1.0
171.06584	0.7
173.06007	4.5
174.06723	0.6
175.07555	6.2
176.04688	2.7
177.05481	15.9
177.09009	0.8
179.01631	1.0
179.07016	1.4
181.04973	20.9
181.08580	12.5
186.06824	0.9
187.07521	2.6
189.05464	1.2
189.09093	1.7
190.00858	1.5
190.06287	0.7
191.07034	100.0
192.07494	2.0
193.08626	2.0
195.06552	2.4
195.08064	0.6
199.07655	0.6
201.05487	1.0
203.07018	3.5
205.06535	1.4
205.08607	3.6
207.06485	1.1
207.08369	0.7
207.10277	0.9
208.01968	1.1
209.08096	80.5
210.08466	1.9
211.04570	0.5
217.08600	1.9
218.07248	0.6
219.08226	0.9
219.10161	1.3
221.07916	0.8
221.09804	0.6
223.04243	20.2
229.08653	0.7
233.05994	0.9
233.08098	3.2
234.06735	1.5
235.07539	1.4
235.09662	2.7
236.08273	1.2
237.09081	2.0
245.08093	1.0
247.07567	1.0
249.09108	1.8
250.06177	0.5
251.10667	1.8
257.48596	0.5
259.09741	0.6
262.06204	0.6
263.07016	0.8
263.09164	18.4
264.07773	0.9
265.08524	2.2
267.10321	1.1
276.07883	1.1
277.08551	2.4
278.09515	0.8
279.06497	0.6
279.10141	1.7
281.08078	0.7
283.09436	0.9
291.10211	0.6
292.07523	0.5
292.81610	0.5
293.08090	1.5
294.08786	0.5
295.09683	1.7
297.11148	1.2
299.09125	0.6
299.12714	0.5
302.32074	0.5
305.07916	0.8
307.09653	5.2
308.10367	0.8
309.11160	2.2
310.08319	0.6
311.12891	0.7
312.08990	4.0
319.09738	0.7
325.10654	1.5
327.12292	2.8
329.13739	1.2
330.10065	1.4
337.10635	1.4
339.12332	9.1
341.13382	1.8
351.12320	2.2
355.11795	6.1
357.13229	2.2
359.14612	0.9
369.13354	5.8
371.15253	0.6
387.14401	69.7
388.14670	1.5
549.19757	4.3
567.22198	0.9
782.65033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	22.8
69.07063	6.9
69.88095	8.9
71.08638	10.5
72.08157	14.1
73.06551	2.6
79.05494	24.7
81.03432	2.6
81.07060	20.4
83.04989	5.9
83.08614	5.0
85.02932	2.7
85.10197	7.2
91.03932	2.4
91.05496	20.1
93.07053	26.8
95.04982	7.3
95.08626	17.5
97.06554	2.5
97.10153	4.4
103.77008	1.9
104.57602	1.9
105.07035	14.8
107.04992	2.6
107.08606	6.4
109.06493	3.5
109.10167	6.8
117.07084	2.3
119.08577	10.7
121.06486	2.8
121.10170	2.0
121.25772	1.6
123.08117	2.7
123.11772	2.3
129.07007	6.0
133.10133	3.8
143.08609	5.8
145.10164	6.3
147.11681	12.8
156.09496	1.9
161.13338	4.3
171.11679	10.1
189.12805	3.0
207.13766	12.1
281.17496	43.0
313.27386	38.9
338.22369	1.9
519.40497	100.0
520.40570	3.9
531.15613	1.8
547.01697	1.9
611.50549	2.1
878.51495	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	877.5077
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	1.0
69.28193	0.7
71.55325	1.0
72.51244	0.7
81.03490	0.8
81.07107	1.0
135.86121	0.9
161.62906	0.7
179.29640	0.8
193.48120	0.7
235.86568	0.8
326.63086	0.8
388.83743	0.7
535.27448	0.9
599.28998	0.9
607.39502	0.8
633.32166	0.7
691.40784	1.1
728.97394	0.9
877.50812	100.0
878.51019	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	877.5291
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	4.2
67.05512	4.8
69.03433	2.8
69.07071	2.4
70.59985	1.0
71.01340	0.7
71.04991	0.9
73.02922	3.5
79.05070	0.5
79.05499	5.0
81.03407	1.8
81.07070	4.7
83.04951	0.4
83.08617	1.0
85.02914	4.6
86.09695	0.9
87.04469	0.5
87.93619	0.4
91.03961	2.4
91.05488	4.4
93.07048	5.5
95.04972	0.8
95.08610	3.4
97.02903	3.8
97.06530	0.7
97.10173	0.6
99.04458	0.6
100.32720	0.4
101.02371	1.5
103.03967	0.5
105.04532	0.5
105.07065	2.6
107.08602	3.0
109.02899	0.5
109.10159	1.6
117.07046	1.0
119.08567	2.3
119.09367	0.4
121.10136	1.5
125.09639	0.8
127.03924	0.7
131.08589	0.9
133.10159	2.1
135.11688	0.5
136.06163	1.2
145.10118	0.9
147.11670	1.1
149.13257	0.5
159.11685	0.6
161.05943	0.4
162.07817	2.2
184.07365	0.8
184.90414	0.5
185.04271	1.1
203.05350	0.6
241.06631	0.4
243.08456	3.7
301.08972	1.4
303.15997	0.4
315.10504	0.5
365.23087	3.6
373.11316	0.6
385.18262	0.6
405.25861	0.5
421.25507	0.6
465.20975	0.6
469.20285	0.6
481.20093	0.5
485.23224	0.6
535.28839	5.8
551.28534	0.8
553.29913	0.5
555.09601	0.5
583.30927	5.4
584.31543	0.5
655.32361	1.3
715.44891	1.0
789.14258	0.4
791.42603	2.3
791.54327	0.4
859.47107	0.7
877.52802	100.0
878.53101	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	877.5279
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	3.7
67.05506	5.0
67.49197	0.4
69.03426	3.0
69.07068	3.1
71.05011	2.1
71.55633	0.8
73.02929	3.1
79.05500	3.9
81.03410	1.4
81.07051	4.2
83.08615	1.0
85.02910	4.6
91.03956	2.3
91.05483	3.6
93.07060	5.1
95.04963	0.8
95.08619	2.8
97.02910	4.0
97.06552	0.4
97.10162	1.4
99.04451	0.7
101.02390	1.3
105.07015	2.4
107.08650	2.4
109.02863	0.9
109.10152	1.7
115.78134	0.5
117.07011	0.9
119.08566	2.1
121.10151	1.4
125.09619	0.8
127.03956	1.0
129.05515	0.9
129.06992	0.5
131.08539	1.3
131.78436	0.4
133.10065	1.2
135.11696	1.5
147.11673	0.9
168.58403	0.4
185.04193	1.6
217.86775	0.4
243.08411	4.1
259.20392	0.4
282.21347	0.5
284.29407	0.5
301.08987	3.6
315.10510	1.3
333.20328	2.0
341.11990	0.7
365.23068	2.4
369.15121	0.5
371.16995	0.5
373.10907	1.1
383.16855	0.6
385.18344	2.0
413.17883	1.2
429.17215	1.0
431.24319	0.6
453.20987	0.8
465.20715	0.6
477.24835	0.6
480.81860	0.5
481.20584	1.1
513.23230	0.7
515.33337	0.8
535.28809	4.8
541.22687	2.0
551.28156	3.6
583.31122	5.5
597.27765	0.5
623.30432	1.0
625.31738	1.1
651.33777	0.5
655.33594	0.5
723.39209	1.1
749.40668	1.0
791.41956	8.4
859.47382	1.0
877.52344	100.0
878.52625	6.7
884.46808	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.8
65.03933	1.0
67.05509	24.3
69.03430	1.5
69.07073	7.1
71.03049	0.9
71.04993	3.0
71.12593	2.4
73.02888	1.0
79.05494	16.5
81.03423	38.2
81.07061	31.2
83.04978	4.1
83.08627	11.4
85.02895	4.0
85.06544	2.0
91.03962	2.3
91.05479	15.3
93.07046	21.8
94.07351	1.2
95.04969	14.5
95.08604	8.0
97.02879	2.6
97.06528	3.8
97.10168	2.2
105.07034	8.5
107.04940	3.3
107.08604	13.7
109.06515	1.8
109.10133	2.5
111.08073	6.3
117.07014	3.6
119.08590	8.6
121.06503	2.4
121.10144	8.9
123.11713	2.9
127.03944	1.4
129.07004	4.3
131.08563	7.9
133.06427	1.7
133.10129	7.5
135.08051	1.9
135.11736	4.9
145.04947	1.2
145.10141	1.3
147.08006	1.9
147.11711	5.4
148.32219	0.9
149.09641	2.2
149.13260	10.0
151.11125	1.4
157.10144	5.4
159.11729	4.4
163.11113	1.9
163.24446	0.9
165.12810	1.3
175.11183	6.1
177.12785	2.8
193.12257	10.8
195.12164	0.9
195.13802	4.5
211.13371	1.3
215.14223	1.1
231.61716	1.1
267.15915	39.9
268.16321	1.5
269.17493	33.4
270.17657	0.9
302.21164	0.9
389.13956	1.1
397.45139	1.1
435.27368	3.5
443.27710	3.5
461.29013	100.0
462.29385	5.3
466.82477	1.0
479.30167	5.1
503.29919	3.6
511.32416	2.9
557.30939	1.4
569.30792	2.6
587.32825	1.6
605.33105	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3591
Annotation	Pusilatin E
Peak:m/z	Relative Intensity
61.02941	6.2
65.03954	0.8
65.21930	0.9
65.87108	0.8
67.05478	3.4
69.03452	4.7
69.07048	0.9
69.95759	2.4
71.04958	1.0
71.95248	1.6
72.96031	1.5
72.96887	0.8
73.02902	4.1
79.05463	2.5
81.03394	3.3
81.07062	9.9
83.08596	1.4
84.96014	3.3
85.02916	8.4
85.06517	1.0
91.03941	3.5
91.05465	4.2
93.07027	2.5
95.08595	2.1
97.02897	5.7
97.06488	1.1
97.96805	1.0
98.97589	13.7
99.04427	1.3
101.02392	0.9
105.07040	4.2
107.08595	1.7
110.97566	4.2
112.99108	5.5
116.98627	6.0
119.01735	0.8
119.08547	2.5
121.10168	2.0
123.11682	3.3
124.99084	1.3
127.03907	2.5
128.98589	4.5
131.00188	9.4
138.02301	1.0
139.00705	1.0
140.98599	1.8
143.00179	4.9
144.98097	1.4
146.99597	2.2
147.11682	7.4
149.01195	7.1
150.72646	0.8
152.98602	2.0
158.99698	8.5
159.03271	2.2
161.01173	3.9
165.12668	2.0
167.02271	1.5
170.99678	6.2
171.03262	2.1
173.01274	4.2
177.00732	7.1
185.01213	2.6
185.04781	1.5
189.00787	5.3
189.04311	1.5
191.02353	6.1
199.02736	1.9
201.00623	3.7
203.02206	3.3
205.79929	0.9
213.08054	0.8
215.02200	1.2
217.03743	2.3
219.01688	3.6
223.10025	3.0
227.02267	2.6
229.07399	0.8
229.14072	0.8
231.01846	1.1
231.06769	1.2
233.03238	3.4
237.02780	1.7
237.07841	1.3
239.09476	3.8
241.11137	42.8
242.11644	0.9
245.03270	1.0
249.07919	2.8
257.03259	1.1
257.10516	1.9
259.12207	37.9
261.02649	1.8
264.12677	2.1
267.09073	16.4
267.15680	4.0
269.10535	2.0
275.04361	4.0
277.05972	5.6
279.03778	1.4
281.10663	5.3
281.13525	1.2
282.13797	1.2
283.08539	2.0
285.10117	33.8
285.13309	1.9
290.10532	1.7
293.05414	10.7
295.12189	1.2
297.13638	2.1
299.11642	4.1
301.09415	1.3
303.11154	16.7
305.10443	1.1
308.11612	2.4
309.10089	3.1
311.06378	2.6
321.04886	1.4
323.11520	2.4
327.11166	4.2
341.12756	11.7
345.11722	1.2
359.13593	3.0
383.13766	4.1
405.13193	1.3
453.20761	2.1
467.15536	2.1
469.20291	1.0
471.15103	1.3
485.16956	22.7
501.22778	2.7
503.17929	11.2
533.22791	1.0
615.25934	1.7
647.22235	56.1
648.22253	2.0
663.27893	2.1
665.23535	8.4
713.30261	6.7
875.35419	100.0
876.36542	7.4
906.85748	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02939	11.6
65.03938	2.9
67.05177	3.5
67.05507	52.8
69.03439	12.4
69.07063	9.3
69.33839	17.0
70.06583	2.1
71.01335	2.6
71.04984	8.4
73.02901	8.4
79.05066	3.3
79.05495	44.7
81.03420	81.6
81.07059	41.9
82.04210	3.1
83.04990	24.4
83.08624	32.7
85.02911	35.9
85.06537	4.0
86.09736	2.1
86.16335	1.7
90.41912	2.0
91.03960	12.2
91.05483	46.6
93.07044	31.0
95.04971	35.3
95.08596	19.9
97.02893	19.4
97.06522	8.9
97.10167	15.5
98.07300	3.0
99.04453	4.3
101.55171	2.0
105.07030	31.3
107.04966	16.4
107.08614	19.8
109.02905	3.9
109.06514	7.4
109.10155	23.3
111.04448	4.5
111.08084	17.9
115.05476	2.3
116.04678	6.4
117.06986	7.6
118.75703	2.0
119.04929	2.6
119.08582	27.6
121.06480	4.1
121.10156	15.0
123.08065	7.6
123.11742	2.5
125.09629	16.5
127.03918	5.2
129.05486	21.3
129.07031	13.8
131.08578	16.8
133.06487	5.7
133.10146	22.3
135.08052	4.1
135.11693	8.0
137.09630	3.5
142.07753	3.6
143.07030	4.6
145.04936	4.0
145.10110	8.9
147.08047	3.5
147.11681	24.8
149.09625	11.1
151.03986	2.3
153.09145	2.5
153.12709	4.5
155.08498	2.2
157.08588	9.1
157.10124	19.2
163.05977	5.1
163.11209	9.3
165.12746	4.0
167.07091	2.7
171.06609	2.6
171.10196	4.9
173.09636	4.2
173.11771	4.3
175.11185	24.5
178.10001	2.0
181.12256	5.7
189.11208	7.3
191.10637	6.2
193.10471	2.8
193.12245	77.6
199.13313	19.3
209.11792	12.1
211.13301	100.0
227.12747	19.0
229.14378	9.2
233.40250	2.3
247.13303	4.0
249.14931	2.4
255.15854	5.7
265.14426	2.5
267.15924	39.1
283.15475	16.9
285.10175	2.5
285.16956	66.5
301.16473	59.4
321.16806	2.3
339.17969	3.9
409.25504	5.4
421.25729	5.3
427.26801	8.3
439.26913	25.0
459.27496	5.1
461.29095	3.1
475.26944	6.0
477.28400	5.4
493.28030	25.6
494.28513	7.4
511.29065	71.5
512.29016	3.0
642.80981	2.5
871.43256	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	867.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	2.5
68.33987	1.2
68.99793	5.0
81.03416	4.7
89.03934	1.3
93.03406	2.0
95.04945	1.5
98.20876	6.8
98.21555	2.5
99.04475	1.2
107.04942	6.2
109.02888	2.5
111.00836	5.9
111.04433	7.9
117.03388	1.9
119.04942	3.5
123.04439	46.7
127.03926	100.0
131.04948	3.8
135.04428	50.0
137.02336	4.8
139.03918	47.5
139.04723	0.9
145.05298	1.5
147.04430	6.6
149.02368	6.4
149.05930	1.9
150.59857	1.2
151.03943	11.9
159.04419	4.6
161.06030	3.0
163.03915	51.7
165.05487	3.4
167.03418	5.8
169.05009	2.0
173.05977	2.8
175.03954	2.1
176.04880	1.6
177.05457	5.4
179.03423	10.4
183.04395	1.7
185.05838	1.6
187.03929	7.6
189.05521	2.5
191.03452	6.8
197.06039	3.5
201.05486	8.6
203.03387	13.2
203.07007	1.9
205.04936	3.0
207.02892	1.5
213.05496	2.7
215.03571	1.3
215.06999	1.9
217.04921	1.8
219.06747	1.3
225.05554	1.8
229.05031	11.1
231.06596	3.9
233.04477	5.5
237.05510	1.5
241.04958	2.0
243.06557	5.4
245.04483	31.4
247.06029	45.9
253.04994	3.8
255.06470	2.9
255.34865	1.2
257.04529	13.5
258.05145	2.2
259.06030	12.9
261.07449	2.3
269.04474	4.9
271.06027	26.4
273.07422	1.5
274.04684	1.5
275.05524	12.9
281.04489	2.3
283.05948	9.0
285.07687	1.6
287.05508	19.1
289.07101	26.8
291.08685	14.0
295.06003	2.5
297.03946	2.1
299.05508	5.8
301.07120	15.1
303.08652	2.0
309.03915	2.8
311.05563	2.2
313.06891	2.0
323.05457	5.5
351.05078	6.3
365.06708	3.4
377.06644	2.1
379.08200	2.9
383.07895	6.0
391.07980	3.1
393.05783	6.7
395.07520	3.0
397.09491	1.7
405.06036	4.2
407.07733	11.3
409.09265	22.3
410.09747	1.4
411.10510	2.9
419.07452	2.1
421.09323	2.9
425.08652	8.5
427.10272	13.9
435.11066	1.7
437.08865	3.2
439.10321	1.8
449.09006	1.7
451.10229	3.3
453.12451	1.7
517.11121	4.8
527.09491	4.3
535.11951	2.1
545.11005	8.9
548.77386	1.4
571.12494	1.6
579.15088	2.3
679.14478	2.5
697.14874	4.7
702.15710	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
62.54635	1.6
65.03936	2.0
67.05498	1.8
68.99783	9.8
70.46948	2.6
77.03940	1.6
79.05464	1.3
81.03426	3.5
85.02903	2.0
89.03915	3.7
93.03394	2.1
95.04997	1.9
105.44589	1.3
107.04964	5.9
109.02851	3.8
111.00798	8.9
111.04494	8.6
117.03412	1.8
119.04982	2.4
123.04439	63.0
127.03925	100.0
129.06990	1.4
131.04904	4.9
135.04431	61.4
137.02347	4.4
137.06094	1.3
139.03917	45.2
140.04327	1.3
141.06995	1.4
147.04422	9.2
149.02350	7.5
149.05983	2.9
151.03906	17.4
153.01807	1.8
155.04839	1.7
158.01685	1.5
159.04422	6.0
161.05966	3.1
163.03917	61.4
165.05510	4.2
167.03374	4.6
167.04712	1.3
169.05028	3.0
169.06427	3.1
173.05978	4.5
175.03983	2.1
177.05478	7.0
179.03374	10.1
181.06514	1.4
183.04457	2.2
185.06018	2.8
187.03926	7.5
189.05507	3.0
191.03409	9.6
191.06995	1.5
193.04924	2.4
197.05946	3.7
200.29256	1.4
201.05475	10.1
203.03392	11.7
203.07043	1.7
205.05061	3.1
213.05547	3.2
215.03394	3.7
215.07010	3.3
219.06578	1.7
223.02367	1.7
225.05426	2.5
227.03413	1.6
229.04947	11.2
233.04427	3.5
237.05490	1.9
241.04941	3.9
243.06467	6.2
245.04472	68.0
247.06029	49.5
247.09998	1.4
253.05051	3.3
255.06537	3.4
257.04443	14.6
258.05139	2.8
259.05994	11.6
261.07574	2.0
263.05481	2.2
265.05005	1.9
269.04471	4.6
271.05978	24.0
274.04514	3.4
275.05499	22.4
281.04532	4.5
283.06039	11.5
285.03867	3.0
287.05508	22.2
289.03882	1.6
289.07089	31.4
291.08710	13.6
295.06030	3.7
297.04041	2.5
299.05484	5.4
301.07040	9.9
303.08636	1.6
309.04132	2.0
311.05484	2.3
313.07053	2.7
323.05386	3.2
331.08060	1.8
351.05063	3.4
361.07138	1.9
365.06293	2.2
369.93243	1.6
377.06384	1.8
379.08029	2.6
383.07782	3.1
389.06534	3.6
391.08109	3.6
393.05927	4.7
397.09140	7.0
405.05896	2.7
407.07639	25.6
409.09244	23.4
411.10721	4.1
419.07632	3.1
421.09262	4.0
425.08508	9.1
427.10336	9.2
433.09384	2.6
437.08524	9.0
439.10510	1.5
449.08691	2.8
451.10190	5.3
524.84692	1.6
527.09692	3.7
545.10510	4.6
579.15210	6.5
579.23102	1.5
679.14502	1.7
697.15179	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	867.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
60.85229	0.9
61.06846	0.9
65.03950	3.1
67.05520	1.2
68.99789	9.3
70.50538	2.7
75.13728	0.9
79.05477	1.8
81.03436	1.9
83.39681	0.9
85.02906	1.9
89.03928	2.9
91.05481	1.5
93.03408	2.9
95.05009	2.2
98.20812	1.0
101.29590	0.9
103.23156	0.9
105.03407	1.3
107.04964	6.3
109.02888	3.2
111.00816	9.7
111.04472	12.0
117.03384	2.1
119.04942	2.4
121.02859	1.9
123.04440	77.1
127.03926	71.9
127.04667	1.3
131.04951	3.0
135.04431	67.7
136.04828	1.0
137.02341	7.1
139.03912	58.6
141.07030	0.9
143.04918	1.6
145.02797	1.8
145.06493	2.2
146.34004	1.0
147.04417	6.2
149.02362	10.0
149.05988	2.9
151.03914	24.2
153.01782	1.0
155.04897	1.8
159.04404	4.3
161.02361	1.4
161.05986	5.1
163.03925	59.5
164.04472	0.9
165.01849	1.6
165.05502	4.5
167.03406	3.8
169.05020	2.4
169.06529	2.8
173.05940	4.7
175.03960	4.0
177.05486	9.1
179.03423	10.3
181.04990	1.4
181.06467	1.3
183.04437	1.7
184.39426	0.9
187.03856	7.6
189.05511	3.5
191.03392	12.0
193.05061	2.7
197.05983	4.0
201.05511	8.4
203.03416	19.1
203.07111	1.5
205.04974	3.3
207.02890	1.5
207.06564	1.9
213.05466	3.6
215.03467	5.1
215.07060	4.2
217.04970	4.6
221.04506	1.6
223.02332	2.6
225.05487	1.5
229.04990	14.0
231.02982	1.1
231.06479	5.8
233.04477	6.3
239.03658	1.2
241.05042	4.5
243.02898	1.4
243.06540	4.7
244.03682	1.3
245.04474	100.0
246.04866	2.8
247.06046	60.5
248.06467	1.3
251.05292	1.3
253.04993	4.0
255.06528	3.7
257.04477	18.1
259.06042	17.5
261.07687	4.5
263.05493	1.7
265.05029	1.1
269.04468	5.3
271.06027	22.9
272.06195	1.3
273.07504	1.7
274.04706	4.0
275.05530	28.1
279.06485	1.1
281.04434	3.5
283.06021	9.8
285.04019	3.1
287.05515	26.2
288.05646	1.6
289.07071	36.5
291.08643	13.7
293.04416	1.4
295.05994	2.3
297.04199	2.3
299.05536	6.5
301.07062	16.4
303.04828	2.5
303.08502	1.6
309.03860	2.1
311.05627	2.7
313.07047	1.7
323.05453	4.1
331.08228	1.3
333.07562	1.5
341.06702	1.5
351.04977	3.5
361.07175	2.7
363.08707	1.5
365.06393	2.3
373.06900	1.1
379.07831	5.1
383.07663	4.5
389.06635	2.6
391.08057	1.4
393.06012	4.2
395.07526	2.3
396.08350	1.5
397.09143	9.9
403.69757	1.0
405.06021	2.1
407.07623	29.9
409.09235	25.6
411.10870	2.4
419.07666	5.1
421.09189	3.4
425.08636	11.7
427.04916	1.5
427.10303	18.8
433.09210	2.5
435.10825	1.3
435.74716	1.0
437.08765	12.2
439.10098	2.0
449.08588	2.5
451.10303	5.3
451.16205	1.0
453.11823	2.0
471.39059	1.2
480.80237	0.9
517.10876	2.0
527.10150	2.1
535.12177	3.2
541.10803	1.6
545.11316	4.6
559.12427	1.4
571.12189	2.0
577.12964	1.3
579.14783	2.9
679.14124	1.4
697.15057	2.5
706.41211	1.1
864.50507	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05402	0.5
60.51395	0.5
61.02930	3.7
67.05512	4.0
69.03437	2.5
69.07079	2.0
71.04999	0.6
71.55443	0.6
73.02924	2.2
77.27499	0.4
79.05500	4.4
81.03447	1.4
81.07068	3.8
83.08605	0.7
85.02901	4.2
91.03957	2.0
91.05497	3.5
93.07059	5.0
95.05003	0.7
95.08601	2.4
97.02898	3.2
97.10190	0.8
101.02425	1.6
101.03471	0.5
105.07067	2.5
107.08626	2.3
109.02899	0.8
109.06581	0.5
109.10166	1.6
117.07079	0.8
119.08604	2.1
121.10178	1.5
125.09686	0.6
127.03927	1.3
131.08617	1.0
133.10204	1.3
135.11710	1.1
143.08659	0.5
145.10153	0.7
147.11720	1.5
155.10629	0.4
159.11731	0.5
161.13301	0.9
171.11797	0.8
173.11809	0.5
181.51898	0.4
185.04283	1.0
238.94156	0.5
243.08362	2.3
301.09229	2.0
317.20917	0.5
351.21512	2.6
385.18546	0.5
413.17947	0.7
465.21228	0.6
528.63489	0.5
535.28912	7.0
569.29352	5.6
641.31451	0.7
815.23120	0.5
863.51306	100.0
864.51520	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	861.5335
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	5.0
67.05518	4.3
69.03435	3.2
69.07069	1.8
71.01361	0.3
71.05002	1.6
73.02917	3.2
79.05498	4.2
81.03407	1.6
81.07064	5.1
83.08632	0.7
85.02917	4.6
89.71632	0.3
91.03971	2.9
91.05479	2.6
93.07048	3.8
95.04997	0.9
95.08624	3.0
97.02903	4.2
97.06554	0.4
97.10201	0.6
98.21598	0.8
99.04466	0.8
101.02412	1.3
103.03951	0.5
105.07050	1.5
107.08607	1.6
109.02899	0.6
109.10167	1.8
116.93633	0.3
117.07032	0.7
119.08626	1.2
121.10184	1.2
123.11761	0.4
125.09682	0.5
127.03944	1.1
131.08640	0.9
133.10143	1.0
135.11729	1.0
149.13297	0.4
159.11790	0.4
185.04259	0.7
203.05212	0.3
222.00577	0.4
229.70612	0.6
243.08380	2.0
276.09555	0.3
335.25766	0.5
365.23001	3.0
413.18146	0.4
421.25806	0.4
454.68924	0.3
519.29297	5.6
519.36078	0.5
583.31097	4.7
583.39844	0.5
699.48407	0.4
861.53394	100.0
862.53571	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	861.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	4.1
67.05509	5.3
69.03432	3.7
69.07079	3.5
69.72434	0.3
69.98581	1.6
71.01360	0.4
71.04987	0.6
73.02930	4.0
76.29880	0.3
79.05508	4.8
79.54607	0.3
81.03427	2.2
81.07068	6.8
83.04983	0.6
83.08608	0.5
85.02909	4.2
85.06549	0.4
91.03986	1.8
91.05485	4.5
93.07056	4.6
95.04982	1.0
95.08603	2.3
97.02885	3.3
97.06554	0.7
97.10178	0.7
98.20882	0.5
99.04462	0.8
101.02409	1.4
103.05453	0.5
105.07060	2.3
107.08585	1.9
109.02932	0.4
109.06570	0.7
109.10128	0.7
117.07018	0.9
119.08581	2.1
121.10174	1.2
123.08088	0.6
127.03917	1.0
129.06976	0.6
131.08585	1.3
133.10165	1.5
135.11736	1.3
136.06198	2.7
137.09662	0.4
143.28249	0.3
145.10184	0.5
147.11729	0.6
157.10251	0.5
159.11716	0.7
173.19023	0.3
184.07401	0.9
221.11595	0.4
243.08473	2.7
244.08646	0.4
275.20245	0.4
314.02792	0.4
315.57687	0.4
333.20428	3.8
336.40961	0.4
389.23190	1.5
439.19537	1.8
453.20844	1.8
469.20410	0.5
551.28351	11.0
750.14246	0.4
763.42432	0.7
861.49725	100.0
862.50140	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	861.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	6.4
67.05508	9.3
69.03418	3.4
69.07059	1.8
69.40776	5.7
71.04991	0.9
73.02920	3.8
79.05484	3.5
81.03418	1.3
81.07059	6.3
83.08629	1.5
83.43060	0.8
85.02927	5.9
91.03954	3.3
91.05486	2.3
93.07053	3.1
95.08640	4.0
97.02895	6.8
99.04434	1.8
101.02391	3.2
105.07012	1.3
107.08577	2.6
109.02885	0.9
109.10160	5.8
119.08576	2.3
121.10145	1.4
127.03916	1.8
129.05522	1.1
133.10135	1.0
166.15790	0.9
173.11734	1.4
185.04143	2.4
243.08411	2.8
301.08728	2.3
373.11023	1.8
385.18338	2.8
413.17807	5.9
469.20639	1.3
519.29437	12.2
527.44586	0.9
578.30402	3.0
579.31036	0.9
591.31427	1.2
662.39563	1.9
691.40375	100.0
692.40826	5.5
710.42853	1.0
719.42725	2.1
747.42395	2.1
861.50861	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	861.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	3.5
64.34511	0.4
65.03983	0.4
67.05177	0.5
67.05511	4.6
67.53058	0.3
69.03436	2.5
69.07078	2.7
71.05000	0.7
71.34386	0.8
73.02921	3.0
79.05492	4.3
79.83481	0.4
81.03429	2.2
81.07068	5.2
83.05025	0.8
83.08609	0.7
85.02921	3.5
86.09727	0.7
91.03976	2.3
91.05472	3.6
93.07058	3.9
95.04977	1.7
95.08607	2.3
97.02908	3.1
97.06537	0.5
97.10166	0.6
99.04458	0.8
99.05985	0.3
101.02382	1.5
105.07042	2.4
107.08598	2.1
109.06543	0.7
109.10155	1.2
117.07047	1.0
119.00884	0.4
119.08600	2.1
121.10182	1.0
123.08128	0.6
124.99973	0.5
127.03969	0.8
129.07007	0.5
131.08646	1.1
133.10150	1.5
135.11717	1.6
136.06172	1.5
145.10184	0.9
147.11688	0.6
149.13283	0.6
157.10208	0.4
159.11720	0.7
163.11234	0.6
184.07365	1.1
185.04347	0.5
243.08415	3.1
275.19962	0.4
303.19495	0.6
333.20322	3.6
384.29507	0.5
389.22995	1.2
439.19455	2.4
453.21045	1.9
469.20541	0.7
520.74512	0.4
551.28284	11.1
551.36322	0.7
653.69330	0.4
655.80170	0.4
763.42151	0.9
829.47217	0.5
861.49664	100.0
862.50122	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	859.4817
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02931	2.8
66.99862	0.4
67.05516	3.5
69.03435	2.5
69.07072	3.1
69.65840	2.8
71.01384	0.5
71.05013	0.6
73.02914	2.6
79.05508	4.1
81.03433	2.0
81.07062	4.0
83.04975	0.6
83.08626	0.8
85.02914	3.3
91.03974	1.9
91.05492	3.1
93.07057	2.4
94.72045	0.5
95.04987	1.0
95.08618	1.8
97.02908	3.8
97.06507	0.7
97.10172	1.6
98.21472	0.9
101.02402	1.5
104.33143	0.5
105.07043	1.7
107.04941	0.7
107.08614	1.5
109.06518	0.6
109.10165	1.0
117.07029	1.0
118.44323	0.4
119.08625	1.7
121.10182	0.4
125.09633	1.2
127.03952	1.2
128.37033	0.4
129.07021	0.5
129.61932	0.4
131.08600	0.9
133.10179	1.0
134.42567	0.4
135.08075	0.6
135.11725	0.9
146.09787	0.4
149.13268	0.4
152.73494	0.4
172.95256	0.5
223.13327	1.0
243.08464	3.8
291.19720	1.0
331.18900	0.8
333.20450	1.4
427.29688	0.5
439.19580	1.1
453.21436	0.9
521.22308	1.0
549.26794	5.8
551.28320	6.1
859.48163	100.0
860.48785	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	859.4819
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02919	3.6
67.05516	4.8
69.03426	2.9
69.07072	2.2
70.79130	0.8
71.04993	0.7
73.02922	2.4
79.05505	3.7
81.03428	2.6
81.07078	4.2
83.05000	0.9
83.08630	0.8
85.02920	4.3
91.03944	2.5
91.05490	4.3
93.07048	3.9
93.92448	0.5
95.05001	1.4
95.08617	3.6
97.02924	3.4
97.06556	0.9
99.04466	0.6
101.02386	1.5
105.07031	2.9
107.04984	1.1
107.08599	2.0
109.02860	0.7
109.06507	1.1
109.10191	1.2
112.38293	0.6
115.05457	0.5
117.07020	1.0
119.08580	1.3
121.10148	0.8
121.26754	0.4
125.33857	0.5
127.03947	0.7
131.08611	0.9
133.10129	3.4
135.08038	0.6
135.11714	0.6
145.10141	0.6
147.11722	0.6
149.09654	0.6
175.11127	0.7
188.40883	0.6
203.05356	0.8
232.92505	0.6
243.08440	2.7
287.17288	0.6
313.17819	0.8
315.10770	0.7
331.18832	1.9
333.20529	1.4
389.23090	0.5
400.19211	0.5
439.19467	0.8
451.19598	1.2
453.20926	0.9
531.25970	1.9
549.26941	3.2
551.28418	7.8
552.29510	0.6
623.30127	0.7
760.77179	0.5
761.41315	2.5
841.47021	10.3
859.48096	100.0
860.48462	8.1
893.74371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	3.4
67.05515	5.6
69.03429	3.3
69.07074	3.3
70.71717	1.1
71.05006	0.9
73.02929	3.4
73.94074	0.4
79.05506	3.7
81.03436	2.0
81.07063	5.8
83.04996	0.9
83.08622	1.2
85.02914	3.7
91.03974	1.9
91.05495	4.5
93.07042	3.9
95.04997	1.4
95.08636	2.5
97.02892	4.4
97.06522	0.7
97.10184	1.2
99.04449	0.8
101.02386	1.2
105.07055	3.1
107.04971	0.7
107.08618	2.6
109.02876	0.8
109.06516	0.4
109.10186	1.6
111.08158	0.4
117.07050	1.2
119.08598	2.6
121.10175	0.9
125.09633	0.8
127.03947	0.8
131.08597	1.2
133.10164	1.6
135.11737	0.7
145.10159	0.7
149.09720	0.5
159.11716	0.8
163.11148	0.5
173.13232	0.5
173.26826	0.4
185.04259	0.5
203.05316	0.6
223.13321	1.0
243.08423	3.9
291.19446	0.6
331.18866	1.3
333.20435	1.0
387.21396	0.5
439.19534	0.7
453.21085	0.7
549.26727	5.4
551.28223	6.2
761.40851	0.6
859.48145	100.0
860.48615	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	859.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.5
61.78544	0.8
67.05509	4.7
69.03432	2.7
69.07072	2.5
70.99253	1.6
71.04966	0.9
73.02925	2.6
79.05503	3.3
81.03402	1.5
81.07062	5.1
83.08648	0.7
85.02928	3.5
91.03952	2.3
91.05484	3.3
93.07055	3.1
95.04987	1.8
95.08633	3.2
97.02905	3.6
97.06568	0.9
101.02371	1.6
105.07024	3.2
107.04987	0.8
107.08624	2.5
109.06538	1.2
109.10187	0.9
117.07063	1.7
119.08574	1.5
121.10199	1.4
127.03981	0.8
129.07022	1.0
133.10172	2.5
135.11720	1.0
141.28864	0.6
147.11749	0.9
149.09610	0.7
201.03708	0.7
243.08521	2.2
278.77289	0.8
300.20462	0.7
301.09375	0.7
331.18808	1.7
333.20267	0.8
439.19632	0.8
451.19412	0.8
453.21027	0.9
531.25702	0.8
549.19012	0.8
549.26630	3.6
551.28448	7.2
623.30835	1.2
761.41199	2.1
841.47058	8.3
859.47925	100.0
860.47949	7.6
877.69598	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.393
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	6.3
67.05508	4.2
69.03435	4.4
69.07066	1.9
71.01363	0.9
71.05000	1.2
73.02924	4.1
79.05496	2.5
81.03443	3.1
81.07062	10.0
83.04992	1.3
83.08632	0.8
85.02910	8.2
86.44030	0.7
91.03954	5.0
91.05493	3.3
93.07047	3.1
95.04984	0.7
95.08624	2.4
97.02897	8.2
97.06560	1.0
99.04463	1.0
101.02380	3.3
105.07038	5.0
107.08615	1.4
109.02892	1.4
113.43809	0.7
119.01917	0.9
119.08596	4.3
121.10165	2.4
123.11674	3.4
127.03936	2.2
133.03499	1.3
143.01845	0.7
145.04974	1.1
145.10158	0.8
147.11707	9.7
155.05620	1.0
157.03462	0.8
163.05260	0.6
165.12794	4.2
173.03033	0.9
173.06606	1.0
175.04636	0.7
185.04312	0.9
187.04475	1.0
195.08665	0.9
201.06114	1.6
203.05261	1.7
213.09758	1.6
215.11256	0.7
221.10249	1.1
223.11774	1.0
225.13426	1.2
233.10356	1.0
239.11401	1.6
243.08476	1.7
243.14497	2.3
251.11171	10.9
258.51682	0.7
259.06497	0.8
261.31580	0.8
267.16034	4.0
269.12393	16.2
274.13013	1.3
277.07953	0.9
285.16937	1.4
287.13409	7.6
292.14114	0.7
307.15207	1.9
311.13577	1.0
325.15027	8.1
347.09698	3.3
347.13327	0.7
365.10590	2.0
367.16263	1.8
405.13675	3.3
425.21701	1.9
469.20227	25.6
470.20541	1.6
487.20526	1.7
535.28448	2.2
631.24890	26.8
632.25348	1.2
653.35144	1.2
697.33002	10.2
729.36493	1.0
815.39746	0.9
834.94025	0.7
844.16626	0.7
859.39185	100.0
860.39307	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	859.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02648	0.5
61.02930	7.0
67.05510	2.2
68.36462	0.4
68.95076	0.3
69.03429	5.1
69.07065	1.1
71.01345	0.8
71.04995	1.1
71.55013	0.7
73.02919	4.4
79.05505	3.0
81.03423	5.5
81.07050	2.7
83.04976	1.7
83.08624	1.6
85.02907	9.3
91.03957	3.5
91.05488	4.2
93.07040	2.4
95.04951	2.0
95.08622	1.3
97.02894	7.7
97.06526	0.8
98.97616	0.5
99.04482	1.5
101.02401	2.1
105.07001	3.0
107.04984	0.6
107.08611	0.7
109.02913	1.5
109.06541	0.5
109.10193	0.6
111.08069	0.7
112.98598	0.3
113.06039	0.4
115.03951	0.8
119.08595	2.3
121.10143	1.6
125.06012	0.5
127.03898	2.1
129.07007	1.2
131.08588	1.2
133.10127	1.8
136.06192	2.0
137.09628	0.4
145.02771	0.4
145.05009	0.6
145.10162	0.5
147.11728	1.6
149.09634	0.8
157.10161	1.8
162.07802	1.7
163.08144	0.6
175.11281	1.7
185.04318	0.8
193.12225	3.1
193.43935	0.4
203.05373	1.2
211.13310	2.1
243.08432	2.7
251.12592	1.6
259.07776	0.4
267.09067	1.0
267.15942	0.6
271.08356	0.4
285.10162	0.5
285.17081	1.1
290.49194	0.4
295.06235	0.6
307.15268	1.0
324.11328	0.6
335.72192	0.4
347.09485	2.7
347.13141	0.4
363.09146	0.5
365.10727	1.2
405.13629	4.8
405.17706	0.4
409.08960	0.5
418.76965	0.4
438.18396	0.6
440.17786	0.7
440.69009	0.5
440.82104	0.4
441.18369	0.5
469.20493	15.4
469.27127	0.8
470.21051	0.8
631.25787	10.7
632.26666	0.7
647.35150	0.6
657.82458	0.5
697.34412	1.6
809.39502	0.5
859.39294	100.0
860.39447	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.466
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	2.9
67.05512	6.1
69.03439	2.8
69.07074	4.6
69.84276	1.9
71.04991	0.6
73.02909	2.3
79.05502	4.9
81.03414	3.0
81.07067	6.0
83.04992	1.4
83.08636	1.6
83.09119	0.4
85.02914	3.7
86.22330	0.4
91.03976	1.9
91.05492	3.9
93.07039	3.5
95.04998	1.6
95.08607	2.1
95.58562	0.4
97.02894	4.7
97.10201	2.2
99.04451	0.6
101.02387	0.9
105.07036	2.5
107.04963	0.9
107.08604	2.6
109.06527	0.7
109.10156	2.5
110.86583	0.5
116.93736	0.4
117.07069	1.3
119.08623	1.6
121.10149	0.9
123.08087	0.6
123.11803	0.5
125.09645	1.7
127.03875	0.4
129.07024	0.9
131.08595	0.7
133.10139	1.3
135.08087	0.7
135.11768	1.5
137.09756	0.6
143.08597	0.6
145.10164	1.0
147.11758	0.6
149.09625	0.6
157.10086	0.6
178.02374	0.5
185.04224	0.5
189.11172	0.8
203.05321	0.7
223.13243	2.0
234.24612	0.4
243.08446	4.3
291.19589	2.9
331.18967	1.8
335.25879	0.6
387.21698	0.6
407.79800	0.5
549.26709	11.6
735.45453	0.5
763.27985	0.6
857.46613	100.0
858.46960	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	857.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.1
62.12090	0.6
67.05505	6.3
69.03429	3.1
69.07069	4.3
71.01359	0.6
71.55331	0.7
73.02924	3.0
79.05508	4.1
81.03431	2.5
81.07066	4.8
83.04987	0.9
83.08621	1.8
85.02909	3.1
91.03956	1.7
91.05467	3.7
93.07036	3.4
95.04980	1.8
95.08628	3.2
97.02892	4.4
97.06552	0.6
97.10172	1.6
99.04463	1.3
101.02358	1.6
101.07160	1.6
105.07023	3.2
107.08616	3.6
109.02931	0.9
109.06527	1.5
109.10166	1.8
114.25840	0.6
117.06984	1.3
119.08616	2.0
121.10182	1.5
123.08118	1.0
125.09673	1.5
127.03905	1.5
129.07079	0.7
131.08586	1.5
133.10162	2.0
135.08093	1.0
135.11732	0.6
137.09720	0.6
140.13602	0.6
143.08609	0.6
145.05133	0.7
145.10147	0.6
147.11671	0.7
149.09665	0.7
149.13170	0.7
151.11156	0.9
176.08418	0.6
185.04327	1.3
193.12303	0.9
203.05304	0.8
223.13327	1.5
243.08459	2.8
245.74921	0.6
284.42404	0.6
291.19617	1.7
301.09033	0.8
315.10941	0.8
331.18695	3.0
335.25690	0.9
336.26648	0.9
432.30536	0.7
437.61938	0.6
451.19650	0.8
531.25800	1.8
549.26788	14.9
621.28900	1.3
759.39453	3.3
772.06097	0.7
839.45441	10.4
857.46564	100.0
858.46576	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	857.4659
Annotation	Aurantimycin A
Peak:m/z	Relative Intensity
61.02939	2.2
65.03970	0.6
67.05503	5.1
69.03432	2.4
69.07069	2.7
69.95481	1.2
69.95869	1.0
71.04990	0.8
73.02914	2.2
73.47845	0.4
79.05503	4.4
81.03419	1.7
81.07062	5.1
83.04988	1.3
83.08640	1.2
85.02908	3.2
89.30551	0.5
91.03955	1.5
91.05484	5.0
93.07032	2.8
95.04966	0.8
95.08612	1.7
97.02895	2.6
97.06568	0.7
97.10180	0.7
99.04465	1.0
101.02382	1.3
101.44688	0.5
105.07066	3.0
107.04971	1.0
107.08604	3.3
109.06538	0.8
109.10175	2.6
110.09285	0.5
111.04449	0.6
111.08044	0.6
115.99764	0.5
117.07079	0.5
119.08597	1.8
119.90885	0.5
121.06493	0.7
121.10156	0.9
123.11691	0.5
125.09661	1.1
126.43401	0.5
127.03915	0.6
127.13932	0.5
129.05592	0.5
131.08597	1.3
133.10138	2.4
135.08072	0.6
135.11722	0.7
139.54172	0.5
151.11232	1.0
159.11763	0.5
185.04329	1.0
189.12830	0.5
223.13231	1.1
224.20804	0.5
243.08334	4.7
273.18726	0.5
291.19742	1.7
331.18839	2.6
373.11371	0.5
387.21695	1.3
549.26709	10.4
549.34381	0.8
610.31323	0.7
781.12927	0.5
839.45294	1.1
857.46613	100.0
858.46954	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	856.5782
Annotation	Unknow
Peak:m/z	Relative Intensity
60.74706	2.0
65.03931	4.9
67.05514	85.2
69.03436	6.1
69.07076	26.8
71.04993	8.4
71.55443	2.3
75.61072	2.0
79.05499	59.9
81.03427	11.9
81.07068	85.7
83.04982	6.8
83.08614	12.3
85.02914	4.6
85.06533	3.6
91.05489	42.8
93.07048	66.1
95.04974	8.5
95.08058	3.6
95.08618	50.1
95.24396	2.2
95.88841	2.2
97.02925	2.7
97.06542	14.2
97.10207	5.1
105.07035	30.5
107.04978	6.2
107.08607	35.8
109.02879	2.1
109.06525	4.5
109.10171	29.6
111.08080	6.4
117.07018	13.9
119.08617	22.9
121.10144	25.7
123.08123	3.9
123.11755	6.6
125.09654	2.7
129.00150	2.1
129.05515	2.8
131.08589	21.4
133.10152	17.3
135.11707	13.5
137.09625	2.7
143.08507	3.3
145.10129	12.4
147.11671	12.0
149.09656	8.7
149.13281	11.2
151.11212	3.3
155.08601	2.8
157.10156	5.0
159.11694	14.7
161.13271	4.2
163.11145	4.1
163.14877	2.6
169.10205	3.4
171.11653	4.5
173.11864	4.2
173.13271	4.8
175.11188	3.6
177.12779	4.8
187.14748	3.0
195.13773	2.0
229.14247	13.1
229.19499	2.3
257.19012	5.6
259.20422	3.3
261.22168	9.9
267.16003	3.0
269.17606	9.6
275.20117	16.7
278.76392	2.2
331.22797	3.5
335.25830	85.0
336.26126	4.1
349.23749	13.4
368.01746	2.3
413.21823	7.4
489.35638	17.2
529.38934	100.0
530.39313	3.0
569.41882	4.8
609.45367	31.1
627.46265	3.1
641.48309	11.9
673.43652	12.7
720.39148	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	856.5782
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	2.6
65.03930	3.9
67.05510	97.0
69.03445	8.0
69.07078	24.3
71.04997	10.5
71.08623	1.7
79.05495	70.3
81.03428	8.4
81.07059	87.4
83.04984	6.3
83.08621	15.9
85.02898	4.6
85.06542	4.2
91.05487	44.2
93.07050	76.2
94.07340	1.9
94.87054	1.7
95.04987	8.4
95.08612	54.1
97.02884	2.5
97.06541	14.7
97.10155	5.0
99.08068	2.6
105.04518	1.9
105.06394	2.8
105.07041	30.8
107.04948	4.2
107.08601	44.5
109.06511	5.1
109.10166	40.0
111.04421	2.5
111.08077	5.1
117.07029	20.9
119.07799	2.2
119.08585	25.5
121.06504	4.6
121.10154	25.4
123.08097	2.7
123.11729	9.9
125.09656	4.1
129.05495	2.2
129.07008	6.3
131.08575	22.7
133.10152	19.1
135.08095	2.0
135.11702	15.7
137.09589	3.2
139.11159	1.7
143.08563	4.2
145.06512	1.9
145.10118	16.5
147.11703	12.3
149.09639	8.3
149.13293	13.1
151.11176	2.6
155.10635	2.6
157.10117	5.8
159.11719	14.7
161.09631	2.4
161.13268	3.6
163.11166	2.7
163.14923	1.6
169.10103	2.7
171.11685	3.6
173.11743	4.4
173.13263	8.8
175.14792	3.6
177.12694	2.7
183.11703	1.8
185.13268	2.7
187.14835	3.7
195.13818	3.7
197.13286	2.5
201.16344	2.3
219.13879	1.7
227.12744	5.8
229.14342	24.5
229.19487	2.0
239.18150	2.4
243.21066	4.7
247.20474	1.8
257.19101	5.5
261.22162	13.0
269.17480	10.9
275.20096	21.4
317.24783	1.7
331.22586	2.8
335.25836	83.9
336.25989	2.8
339.18082	3.5
349.23779	15.1
381.26306	3.7
395.20493	1.6
413.21912	12.2
437.34470	1.9
489.35733	21.5
507.37296	2.5
515.37390	2.3
529.38922	100.0
530.39075	4.0
539.81128	1.6
569.42059	12.8
609.45111	31.6
610.45087	2.4
627.45740	4.6
633.38928	1.9
641.47845	11.9
655.41779	2.2
673.43231	10.2
691.43335	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.8
61.11605	1.0
65.03941	4.2
65.54631	0.8
65.88400	0.8
67.05510	100.0
69.03425	3.4
69.07076	17.6
69.20151	8.5
71.01356	1.6
71.05000	4.5
71.08652	1.3
73.02922	3.2
77.03888	0.8
79.05495	41.1
81.03419	8.1
81.07064	59.4
83.04984	6.7
83.08626	12.5
85.02914	13.2
85.06554	2.6
87.04464	4.3
91.05489	22.9
91.06075	1.0
93.07050	38.6
95.04990	6.0
95.08613	40.9
97.02908	4.9
97.06536	4.4
97.10178	14.1
99.08087	1.4
105.07041	13.9
107.04950	2.1
107.08602	24.7
107.09306	1.9
109.06522	2.0
109.10163	60.4
110.10553	0.9
111.04413	1.2
111.08088	4.1
117.07037	6.7
118.21114	1.1
119.08586	13.9
121.10148	15.3
123.08087	2.9
123.11692	4.6
125.09642	13.8
128.06213	0.8
129.05481	1.7
129.07036	2.2
130.07838	0.9
131.08585	10.8
133.06564	0.9
133.10123	8.7
134.32761	1.0
135.08076	1.0
135.11699	12.5
137.09636	3.5
137.13322	1.2
139.11206	1.6
143.08554	1.1
143.10693	2.9
145.10141	10.6
147.08075	2.0
147.11720	5.7
149.09656	1.2
149.13263	6.0
153.12766	2.6
155.10678	3.9
157.10103	1.4
159.11703	4.6
161.13246	4.2
163.11195	8.7
163.14885	2.1
171.10172	1.3
173.11760	14.3
173.13283	4.7
175.11153	1.4
175.14899	1.7
181.12276	2.7
185.13297	1.1
187.14839	2.5
191.10750	1.4
193.12268	2.2
199.13319	6.5
209.11797	4.2
211.13423	1.2
217.14345	1.8
227.12796	6.4
229.14369	42.8
230.14787	1.6
233.22554	1.0
243.21153	4.2
245.13858	1.1
259.20694	1.0
261.22180	15.5
267.15964	3.6
283.15417	2.3
297.22086	0.9
301.16415	11.8
315.23111	1.1
317.24808	3.0
319.65109	0.8
319.68771	0.9
335.25815	74.4
336.26245	2.8
399.23764	11.3
477.35806	5.6
489.35794	17.0
527.37744	1.2
543.36816	1.9
561.37634	4.0
579.39081	2.5
659.45239	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	856.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	2.8
65.03947	6.3
67.05509	90.3
67.12709	1.6
69.03444	11.3
69.06726	2.8
69.07076	40.5
69.85067	8.0
71.04991	7.3
73.09731	1.5
74.87122	1.4
78.96478	1.6
79.05499	74.1
81.03424	16.9
81.07064	100.0
83.04980	15.4
83.08617	19.0
85.02903	8.2
85.06554	6.8
91.05488	63.5
93.07052	76.2
95.04977	13.5
95.08613	43.6
95.09088	1.1
97.02906	6.1
97.06540	22.0
97.10188	10.4
99.04499	1.8
99.08109	3.8
103.05512	2.3
105.04517	3.4
105.07040	55.1
107.04958	12.1
107.08603	42.5
109.02896	4.0
109.06524	9.4
109.10159	20.3
111.04388	1.8
111.08107	9.3
115.05433	4.2
117.07043	24.3
119.08595	35.6
121.06510	6.8
121.10165	19.8
123.08073	5.0
123.11714	6.0
125.09666	9.2
127.03927	5.3
128.06224	1.9
129.05489	3.9
129.07014	14.1
130.07881	2.0
131.08578	30.7
133.06520	3.8
133.10155	34.9
135.08063	6.7
135.11711	22.0
137.09644	6.8
139.11171	2.5
141.06995	5.8
142.07793	2.0
143.08586	6.0
144.09103	1.7
145.06447	3.2
145.10124	28.7
147.11682	17.8
149.09624	17.7
149.13258	15.9
149.21333	1.6
151.11221	4.4
155.08578	8.2
157.10114	10.8
159.11690	19.3
161.09645	3.1
161.13271	5.5
163.11180	15.6
165.12738	2.3
169.10138	4.5
171.10312	2.3
171.11633	8.1
173.04517	4.2
173.09677	2.6
173.11978	2.1
173.13235	9.0
175.11102	2.0
177.12827	8.9
179.14331	6.1
181.10182	3.1
181.12167	2.5
182.10948	1.6
183.11734	6.8
185.13277	7.3
187.11235	3.0
187.14804	2.7
189.11220	3.6
189.12720	1.9
193.12219	2.3
195.11816	2.2
195.13794	9.4
197.13283	3.8
199.11183	2.6
199.14861	2.1
201.16331	2.0
203.14360	2.2
211.14825	2.7
217.16020	2.2
219.17439	2.1
227.12752	9.4
229.14424	1.9
229.19603	4.0
239.17979	5.2
247.20702	5.0
249.14597	1.6
251.16382	1.9
255.15964	13.7
257.19089	13.7
267.15875	5.0
269.17459	40.0
270.17966	2.4
273.18530	3.0
275.20074	47.9
291.19672	1.7
293.21158	4.1
331.22632	4.7
349.23767	43.6
367.24774	9.8
380.22415	1.7
433.30835	2.5
435.27457	5.1
445.29480	2.8
449.28970	20.6
463.30557	28.4
464.30878	2.8
513.35425	1.9
515.37152	2.2
525.35681	3.3
529.35242	8.3
543.36945	36.3
544.36914	1.9
561.37671	4.8
607.34595	3.0
623.42889	6.4
641.43597	4.8
681.37634	2.0
856.44659	3.4
857.45386	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	856.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	3.1
65.03925	4.7
67.05507	84.3
69.03432	9.2
69.07070	41.1
70.25581	1.4
70.86014	3.3
70.86336	1.4
71.04983	8.3
71.08611	1.4
73.06557	1.6
79.05496	64.5
81.03426	21.1
81.07059	100.0
82.07391	2.2
83.04984	14.0
83.08624	20.3
83.55821	1.7
85.02905	6.4
85.06526	6.3
91.04903	2.5
91.05483	62.9
93.07047	77.9
95.04423	2.2
95.04967	14.9
95.08613	44.1
97.02924	8.0
97.06534	20.7
97.10161	10.8
99.04449	3.1
99.08080	4.5
103.05444	2.2
105.04541	3.6
105.07029	50.8
107.04937	11.9
107.08597	51.8
109.06522	9.9
109.10160	18.8
111.04428	2.0
111.08072	6.2
112.35233	1.5
113.06005	2.1
113.09628	3.2
115.05437	2.7
117.07009	24.3
119.08585	38.2
121.06494	7.1
121.10143	23.9
122.55534	1.7
123.08066	6.0
123.11702	4.9
125.09681	7.8
127.03896	4.1
129.05472	2.7
129.07030	9.0
130.07758	2.2
131.08578	28.6
133.06480	3.3
133.10133	32.8
135.08032	6.8
135.09035	1.3
135.11710	20.7
137.09593	5.3
141.06956	2.2
142.07721	1.7
143.08527	7.6
145.06459	2.9
145.10123	25.4
147.07977	3.4
147.11694	14.5
149.09615	19.7
149.13260	17.2
151.11215	3.2
155.08571	4.3
157.10147	8.2
159.11702	20.7
161.09598	2.5
161.13239	7.4
163.11195	11.6
165.09091	1.6
165.12799	2.6
166.89044	1.5
169.10112	4.1
171.11684	6.0
173.04443	2.3
173.13272	8.9
175.11162	3.3
177.12718	7.3
179.14304	1.7
181.12384	1.9
183.11613	5.4
185.13234	4.6
187.11266	2.4
187.14850	2.2
189.11224	4.0
189.12749	1.7
195.12158	1.5
195.13799	9.6
197.13248	2.6
201.16458	1.8
207.13823	1.9
211.14932	2.9
227.12753	7.1
229.14261	2.0
239.17798	3.6
247.20422	2.0
251.16379	2.4
255.15874	13.7
257.19019	11.9
259.20535	2.6
267.15970	4.1
267.70984	1.7
269.17468	47.7
275.20081	46.2
275.23071	2.0
291.19553	2.4
293.20947	5.7
313.14523	3.0
331.15869	1.7
347.22321	1.7
349.23749	34.0
367.24741	7.1
413.21762	1.8
423.26904	2.1
435.27374	4.0
445.29575	1.9
447.14691	7.2
448.15079	7.8
449.29037	21.9
450.28857	2.1
451.31799	2.5
463.24179	2.1
463.30582	32.3
465.15695	6.2
466.16202	4.2
525.36133	3.5
529.34924	7.1
543.29309	2.7
543.36810	32.6
549.26202	1.6
561.37677	6.9
607.34912	3.3
623.42419	5.5
641.43591	3.1
678.69855	2.0
687.40808	2.5
776.97601	1.7
783.64490	1.8
803.03162	1.7
856.45343	9.4
857.45142	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	855.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
64.16752	0.6
69.07065	0.8
70.13064	2.6
96.04948	0.6
107.05053	0.7
119.04983	1.5
134.67747	0.6
137.02748	1.4
147.04398	3.0
155.03824	1.1
158.79041	0.7
165.02136	0.7
167.63332	0.6
174.19978	0.5
183.03329	1.8
196.94392	0.7
201.02405	0.8
201.04410	1.4
203.00272	2.9
207.03455	1.5
215.03772	0.6
217.01738	0.7
219.03371	1.7
221.01273	7.1
223.02927	1.3
229.01765	0.9
231.03317	0.8
233.01295	0.7
233.04846	1.1
234.01965	1.0
235.02917	1.5
237.04416	2.6
239.02388	1.8
241.01720	1.1
245.04965	2.3
247.02960	1.3
249.04460	1.0
259.02850	1.5
261.04449	2.3
263.06110	1.2
269.04999	1.3
271.02911	1.4
272.03622	0.7
273.04440	1.5
275.05774	0.7
276.03177	0.7
277.03952	1.4
284.00092	0.9
285.04288	3.1
287.02588	0.8
287.06058	1.8
289.03937	1.4
291.05530	0.8
297.04672	0.8
297.08139	0.6
301.03922	1.7
301.07364	0.8
303.05582	2.2
317.10864	1.1
321.07510	0.7
325.07532	0.9
325.11215	2.2
326.04758	0.7
327.09067	6.4
333.04614	0.7
335.05969	0.7
337.03726	0.7
337.07526	1.1
339.05594	0.9
339.09250	0.9
343.08725	1.1
343.12173	3.7
345.04456	1.0
345.06046	0.8
345.10251	6.9
347.11801	1.1
349.07681	2.0
351.05560	1.5
355.05045	0.7
359.05859	1.3
360.06763	1.4
361.07565	1.8
361.13394	0.9
363.05508	2.8
367.08691	3.0
369.06369	1.0
373.07611	3.7
377.02908	4.3
377.07660	3.6
378.07843	2.2
379.08875	2.2
381.06491	2.3
381.10849	0.8
385.10278	0.9
391.08496	6.1
392.05597	4.9
395.08383	3.3
396.08896	11.6
397.09671	4.6
399.11557	0.6
405.13940	3.1
409.09741	4.0
410.06717	1.3
411.11819	1.9
413.09988	0.9
414.09763	3.1
415.10968	0.8
419.11035	0.6
420.11111	0.8
423.14951	1.8
429.13721	9.8
429.18634	0.7
431.11728	0.9
447.14877	37.8
447.65100	0.9
448.15359	1.7
463.14304	1.2
465.15927	48.6
470.16376	3.7
483.16934	9.9
488.17490	5.0
575.17999	0.7
673.28583	1.5
751.26257	1.6
753.27612	2.0
819.32074	100.0
820.32330	7.6
837.33173	4.2
860.33215	2.9
889.30310	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03358	0.6
81.07030	1.1
84.95988	0.6
87.04435	0.5
109.10130	0.7
115.62431	0.4
147.04359	0.8
163.00638	0.6
185.01196	0.6
191.00124	1.8
195.03302	2.6
197.01257	0.5
201.02057	0.5
203.00189	4.8
205.01688	1.5
206.99568	0.8
209.01157	1.9
213.04269	2.1
218.99557	0.7
219.03285	0.5
221.01244	6.3
222.02002	0.5
223.02820	3.2
225.00526	0.6
227.02158	0.9
233.01247	1.0
233.04883	0.9
235.02776	0.5
237.00697	0.7
237.04318	1.1
239.02193	1.9
241.03755	1.5
247.02811	0.7
253.01576	0.5
256.03986	0.6
257.04999	0.7
261.04251	0.9
271.02753	2.1
273.04285	1.0
273.07886	0.6
275.05881	1.6
277.03888	0.9
279.03235	1.4
280.04019	0.6
281.04895	0.9
283.02798	5.2
284.03470	1.8
285.04245	1.6
287.02344	0.7
287.05917	0.6
289.03857	0.9
293.07074	0.7
294.01962	0.6
295.02527	0.7
297.04395	5.3
298.04987	3.9
299.05875	1.2
301.03876	5.8
301.10788	0.8
302.04575	0.8
303.05527	0.8
307.02875	2.0
307.10065	0.8
308.03473	1.6
309.04370	1.7
309.07916	0.8
311.02402	0.8
312.03043	3.3
313.03772	1.9
315.05368	4.0
316.06250	3.5
317.06860	0.6
317.10522	0.7
319.05878	0.6
319.11951	0.7
323.06006	0.6
325.03845	12.9
325.07056	0.7
325.10956	3.7
326.04596	5.8
327.05429	6.4
327.09088	1.1
329.03320	1.4
330.04150	4.4
331.04889	1.8
333.06769	0.5
337.03824	3.4
337.07474	1.2
339.05154	0.9
340.02576	1.9
341.07028	0.7
343.04913	19.9
343.12000	1.1
344.05466	2.5
345.06555	6.4
345.10220	0.8
348.05371	1.0
353.10626	0.8
355.04913	4.8
355.08673	0.9
357.06451	0.7
361.06131	5.7
363.07440	0.8
365.07101	0.6
366.06458	1.1
369.06641	0.6
373.05795	0.6
377.10715	2.1
379.08752	3.8
387.12949	2.4
395.11746	7.8
397.09592	7.6
405.13858	4.0
413.12708	3.3
415.10538	1.8
418.12979	0.6
420.10876	0.7
429.13770	28.8
430.14139	1.1
431.11893	1.4
445.13196	1.5
447.14822	99.0
448.15094	3.4
463.14603	1.2
465.15909	100.0
466.16193	3.8
470.16385	6.3
483.16852	7.2
488.17471	12.5
489.17923	0.8
575.86871	0.5
715.22021	5.6
855.34106	16.4
856.34827	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
65.48934	0.2
67.05492	0.6
69.03426	0.2
75.72557	0.2
75.99061	0.2
76.20335	0.2
78.62347	0.2
79.05485	0.2
81.07014	0.3
84.96027	0.3
85.02899	0.3
91.05479	0.2
93.07051	0.4
105.07005	0.3
107.08556	0.4
107.62499	0.2
109.10151	0.4
112.74828	0.2
119.08550	0.2
135.33153	0.2
147.04349	0.3
176.05440	0.2
191.00183	0.5
193.01762	0.3
195.03316	1.1
197.01265	0.2
203.00183	1.8
206.99525	0.2
209.01205	0.7
211.02769	0.3
213.04320	1.2
218.99666	0.5
221.01218	2.7
222.01909	0.3
223.02753	0.6
225.00684	0.5
233.01128	0.7
235.02803	0.3
237.00613	0.5
237.04385	0.3
239.02237	1.4
243.03276	0.3
251.02249	0.5
255.05501	0.3
259.02704	0.3
259.99838	0.3
261.04379	0.5
265.01465	0.3
270.05774	0.4
271.02777	0.9
273.04385	0.3
279.03220	0.3
280.04053	0.4
281.04843	0.3
283.02795	3.6
284.03439	0.8
285.04330	0.7
287.02600	0.3
287.05786	0.2
289.03851	0.7
291.36792	0.2
294.02011	0.3
295.02814	0.8
295.62430	0.2
296.03323	0.2
297.04382	2.6
298.05051	1.9
299.05859	0.5
301.00497	0.4
301.03845	5.7
301.10800	0.3
302.04480	0.5
303.05444	0.3
307.02777	0.9
307.10107	0.6
308.03571	0.6
309.04553	0.2
309.08047	0.6
311.05820	0.4
312.02936	1.8
313.03854	1.3
313.07104	0.3
315.05362	2.3
316.06213	1.5
319.02332	1.0
322.01501	0.3
323.05875	0.9
324.05502	0.4
325.03812	5.1
325.06665	0.2
325.11108	3.2
326.01019	0.3
326.04593	2.3
327.05219	0.5
327.09021	0.6
329.03275	1.0
330.04129	1.7
331.04971	0.5
337.03864	5.0
337.07428	0.3
339.05423	0.3
340.02533	1.0
341.07129	0.3
343.04916	7.6
343.12091	0.8
344.05759	1.0
345.06439	0.2
345.10065	0.9
348.05487	0.4
348.12637	0.4
351.05530	0.4
355.04941	6.3
357.06485	0.3
358.03409	0.2
360.05673	0.2
361.06036	2.1
363.08957	0.4
365.07040	0.8
366.06662	0.4
373.06042	1.2
381.05667	0.3
381.10153	2.7
383.08014	0.5
387.12747	1.5
389.10574	0.3
397.09955	0.4
399.11237	1.2
405.13699	4.7
411.12527	0.3
413.10388	0.2
428.15231	0.4
429.13736	40.4
430.13983	1.3
445.13358	0.8
447.14816	100.0
448.15265	3.5
461.16360	0.7
465.15945	11.5
466.16504	0.3
470.16431	14.4
471.16635	0.6
488.17474	2.4
617.40967	0.2
697.21075	1.7
715.22113	1.6
771.28241	0.3
819.31689	0.4
837.33350	1.3
837.47284	0.3
855.33746	0.6
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
61.02910	2.4
65.03941	2.6
67.05508	56.9
69.03434	14.0
69.07070	46.2
69.84945	4.7
71.05023	4.8
73.02914	1.2
79.05495	48.2
81.03424	11.5
81.07059	59.6
82.07396	1.2
83.04990	9.9
83.08622	14.9
85.02933	5.1
85.06541	4.3
87.04443	1.3
91.04911	1.3
91.05486	41.9
93.07049	43.7
94.07399	1.0
95.01306	1.3
95.04979	12.8
95.08611	25.2
97.02892	12.6
97.06534	11.2
97.10175	16.5
98.21484	1.5
99.08095	1.8
101.02386	1.0
103.05458	2.2
105.04510	2.0
105.07034	31.6
107.04963	13.4
107.08601	29.3
109.02901	2.0
109.06515	6.3
109.09464	1.3
109.10162	14.7
111.04423	1.8
111.08098	4.9
113.09647	1.2
115.05452	2.0
117.07022	20.1
119.04919	1.4
119.07806	1.5
119.08590	23.2
121.06503	5.0
121.10140	12.2
123.04465	1.1
123.08081	4.4
123.11698	3.3
125.09649	10.5
127.03941	1.9
127.07572	1.2
128.06197	1.9
129.05496	1.3
129.07021	6.2
130.07756	2.4
131.08574	18.2
133.06483	3.5
133.10132	16.7
135.08083	6.6
135.11714	9.7
137.09578	3.1
141.06964	2.6
142.07774	1.3
143.08572	6.1
145.06433	1.5
145.10124	15.0
147.08043	7.6
147.11694	10.1
149.09628	9.5
149.13260	7.3
151.11212	4.4
153.09087	1.8
155.08546	2.3
157.10124	4.8
159.08150	2.0
159.11684	10.6
161.09645	3.2
161.13242	3.0
162.10280	1.1
163.11226	6.3
165.09108	1.8
165.12776	1.6
169.10132	1.8
169.12257	2.1
169.94365	1.1
171.10280	1.8
171.11674	4.2
173.04431	1.1
173.09589	1.0
173.11787	1.7
173.13251	4.1
175.11192	2.7
175.14778	1.1
177.12776	4.4
179.10677	1.8
179.14299	1.1
183.11705	2.5
185.13208	2.4
187.11142	1.4
189.11263	6.7
189.12753	1.6
193.12296	1.4
195.11765	1.4
195.13812	4.2
197.13264	1.3
199.11090	1.0
199.14917	1.3
201.12685	1.5
205.12238	1.9
211.14804	1.2
213.14832	1.1
223.13298	18.1
227.12775	10.2
227.17920	1.6
229.19437	1.6
233.15262	1.4
239.17914	1.8
245.13757	1.5
245.18991	1.7
247.20511	1.6
249.14796	3.6
253.14340	4.2
255.15752	7.0
257.19061	4.1
263.20212	1.5
267.15887	2.8
269.17499	18.4
273.18481	15.9
275.20065	22.6
291.19556	100.0
292.19839	3.8
293.21185	2.4
309.20447	1.8
331.22601	2.3
347.22247	4.3
349.23749	20.2
365.23236	44.8
366.23483	1.7
367.24667	2.2
413.21783	1.0
519.33264	1.2
527.34131	1.3
541.35254	2.9
545.34766	15.2
559.36304	46.9
560.36621	1.8
599.39282	1.2
602.64288	1.1
621.41675	1.8
639.42670	20.9
640.43396	1.3
657.43634	4.4
703.40796	1.0
854.46265	6.5
855.44067	1.3
889.87750	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5267
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	4.5
65.03931	3.5
67.05509	57.6
67.34312	1.4
69.03439	14.7
69.06734	2.3
69.07077	39.6
70.18600	1.2
71.03973	2.8
71.04992	5.2
73.02916	2.0
79.05498	50.1
81.03436	12.4
81.07064	63.5
83.04980	11.5
83.08626	15.5
84.72784	1.6
85.02888	6.0
85.06538	3.7
85.09329	1.2
91.03963	2.1
91.04912	1.3
91.05491	44.1
93.07049	52.5
95.01347	1.9
95.04980	12.0
95.08054	2.1
95.08611	27.7
97.02903	11.3
97.06548	11.6
97.10165	17.4
99.04491	2.1
99.08045	2.0
103.05439	2.1
105.04520	1.6
105.06392	2.4
105.07046	34.6
107.04947	12.2
107.05574	1.9
107.08609	35.2
109.02822	1.7
109.06528	8.0
109.10159	21.8
111.04393	1.3
111.08076	6.0
115.05450	2.9
117.07013	14.9
119.04964	2.6
119.08585	27.5
121.06503	6.2
121.10150	14.1
122.16139	1.2
122.91380	1.3
123.08064	5.2
123.11716	5.0
125.09667	11.6
127.03919	2.0
128.06212	2.9
129.07008	7.6
130.07732	1.8
131.08572	20.8
133.06480	5.5
133.10136	29.7
134.07173	1.6
135.08073	9.8
135.11703	11.9
137.05933	1.4
137.09654	4.0
138.03801	1.5
139.11169	1.7
143.08559	7.0
145.06436	1.8
145.10135	13.8
147.08054	6.2
147.11714	7.8
148.50986	1.4
149.09630	10.6
149.13254	10.1
151.11188	7.7
153.09074	1.5
155.08510	1.9
157.10161	6.6
159.08223	1.8
159.11693	11.7
161.09596	4.4
161.13350	3.0
163.11211	6.3
165.09183	1.9
165.12772	1.3
169.10124	2.0
169.12225	1.4
171.11658	4.7
173.13205	3.3
175.11307	2.3
176.82594	1.3
177.12730	3.5
183.11717	1.9
185.13258	4.0
187.11143	2.0
189.11221	5.0
189.12738	1.4
195.13795	4.4
217.15776	1.6
223.13283	17.4
227.12798	8.3
227.17885	2.2
239.17978	2.2
245.18925	2.3
248.31149	1.7
249.14854	4.3
253.14357	16.5
255.15985	6.0
257.18951	4.6
267.15933	2.1
269.17493	28.9
273.18509	22.0
275.20090	16.2
291.19562	100.0
293.20853	1.6
300.48984	1.3
306.95389	1.3
331.23276	1.3
347.22076	6.9
349.23734	13.0
365.23254	43.7
367.24878	2.1
405.13828	1.8
413.21902	2.1
461.28720	1.5
465.28769	1.4
500.06934	1.8
541.35065	2.4
545.34717	15.1
559.36334	71.1
560.36530	3.7
621.41150	1.9
639.42798	13.1
657.43414	3.8
682.34686	3.3
709.51868	1.6
854.31177	2.1
854.45984	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	854.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	6.1
65.03941	1.9
67.05509	54.0
69.03425	2.2
69.06733	1.1
69.07075	12.6
71.04656	0.9
71.05001	12.1
71.54567	1.2
73.02907	3.2
77.45474	1.1
79.05061	1.5
79.05496	20.4
81.03403	3.8
81.07063	71.0
81.12446	0.8
83.04991	4.5
83.08622	10.6
85.02911	9.8
85.06546	6.5
87.04444	1.5
91.03967	4.4
91.05484	18.9
93.07043	32.5
93.72342	0.9
95.04973	4.1
95.08610	12.1
97.02898	5.0
97.06526	6.1
97.10146	3.6
99.04473	0.8
99.08099	2.0
105.07036	7.9
107.04967	1.2
107.08603	18.3
109.06519	1.7
109.10162	13.5
111.04416	1.2
111.08067	3.6
117.07037	6.3
119.08562	2.9
121.06499	1.4
121.10161	10.5
123.08083	0.8
123.11710	7.0
125.09611	2.4
125.84946	0.8
127.03922	1.8
129.05403	0.8
131.08597	6.6
133.10143	11.9
135.08040	1.6
135.11673	5.2
139.11163	0.9
145.04956	3.4
145.10110	1.7
147.11659	2.3
149.13269	17.5
151.11171	3.5
155.10689	1.1
159.11719	6.7
163.06075	2.2
163.11256	1.5
165.12706	1.2
173.11752	3.0
177.12723	3.6
183.13783	1.4
187.13332	1.9
189.04399	0.8
193.12189	1.4
195.13788	9.1
196.99236	1.1
199.13289	1.4
209.11752	1.7
213.14767	1.3
225.14847	1.1
225.66362	0.8
227.12804	2.6
229.14409	11.5
239.16510	0.9
267.15903	3.3
269.17490	25.7
283.15265	1.9
301.16556	3.5
301.20078	3.7
411.27173	1.1
423.27539	11.9
437.29022	31.8
451.30978	4.1
451.36237	0.8
463.30573	100.0
464.30801	4.9
495.34027	28.1
496.33884	1.5
513.30573	6.9
607.34467	2.0
639.37115	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	854.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02699	1.4
61.02935	15.7
65.03943	3.5
67.05511	100.0
69.03437	6.7
69.07071	16.1
69.40394	4.1
69.40796	11.2
71.01344	2.7
71.04980	5.9
72.78120	1.4
73.02921	8.9
79.05064	2.9
79.05501	38.3
81.03420	17.1
81.06583	3.6
81.07064	73.4
83.04999	9.2
83.08624	19.8
84.13840	1.6
85.02909	29.4
85.06531	5.5
87.04473	4.2
91.03960	12.2
91.05489	30.3
93.06480	2.9
93.07050	42.6
95.04984	7.3
95.08621	21.9
97.02898	13.1
97.06547	10.9
97.10184	12.1
98.21544	2.6
99.08135	2.1
105.07038	13.6
107.04964	3.0
107.08607	31.0
109.02852	1.7
109.06514	4.9
109.10168	51.0
111.04478	1.9
111.08089	6.1
113.05988	2.6
117.07019	8.7
118.74988	1.4
119.08572	12.9
121.06493	2.9
121.10154	11.7
123.08078	2.2
123.11712	3.4
125.09646	10.1
127.03927	5.4
129.05486	6.3
129.06993	2.1
131.08568	6.9
133.10153	15.0
135.08035	2.3
135.11716	12.3
137.09613	4.5
143.10606	2.3
145.04987	5.9
145.10101	4.2
147.11705	4.3
149.09639	2.7
149.13277	13.7
153.12709	2.7
155.10710	3.3
158.05684	1.6
159.11713	6.3
163.06071	7.7
163.11197	8.5
165.12709	3.4
173.09642	1.8
173.11758	14.7
175.11159	2.3
177.12703	5.0
181.12227	3.1
191.10631	4.1
193.12296	6.0
195.13821	13.8
199.13272	6.0
209.11784	6.7
211.13350	4.5
213.14783	2.6
227.12772	10.9
229.14380	52.8
239.16437	4.9
240.73338	1.7
257.13901	2.0
267.15964	17.7
269.17496	60.1
283.15341	9.0
285.17053	3.2
301.16452	20.8
313.16147	2.6
339.23178	2.2
357.24207	2.9
367.77744	1.6
403.25192	1.9
411.27475	6.0
423.27435	43.7
431.27908	3.6
449.29379	2.9
477.28574	4.6
495.29538	95.6
496.29797	3.2
513.30579	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	854.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04545	1.9
61.02930	18.0
62.50275	1.3
65.03954	5.1
67.05511	100.0
69.03429	5.4
69.07072	17.8
70.25720	5.1
71.01356	2.0
71.04993	8.1
71.08628	1.6
71.48577	1.2
73.02924	6.6
77.03954	1.4
79.05065	2.6
79.05501	44.3
81.03423	13.4
81.07063	86.3
83.01319	1.6
83.04980	9.5
83.08627	22.7
85.02916	22.5
85.06549	5.1
87.04486	3.3
89.02991	1.1
91.03971	12.9
91.05488	33.1
93.07052	46.5
95.04971	7.3
95.08614	19.6
97.02908	11.4
97.06532	10.5
97.10178	10.9
99.04440	2.8
99.08073	1.7
103.03944	1.7
105.07032	15.2
107.04971	5.4
107.08604	31.7
109.02872	1.7
109.06509	2.6
109.10167	50.6
111.08095	7.9
116.04683	1.8
117.07013	8.6
119.08590	11.1
121.06487	3.4
121.10133	12.2
123.08128	2.4
123.11703	6.9
125.09641	11.5
127.03935	5.2
129.05534	4.8
129.07013	2.2
131.08606	8.9
133.10143	14.6
135.08057	2.0
135.11674	11.7
137.09567	3.2
143.07027	1.6
145.04977	5.1
145.10106	3.3
147.08037	1.4
147.11682	4.1
149.09612	2.5
149.13289	13.7
151.11209	4.0
153.12804	3.6
155.10681	2.2
157.10089	2.1
159.11700	8.2
163.06055	3.3
163.11185	6.5
165.12753	3.2
173.11745	10.7
177.12827	3.5
181.12218	1.7
189.11282	1.4
191.10593	2.2
193.12138	2.9
195.13806	14.8
199.13242	6.4
209.11769	6.2
213.14859	2.1
227.12750	7.0
229.14366	41.7
239.16470	1.7
257.13953	5.0
267.16010	8.4
269.17496	64.0
270.17987	1.4
283.15439	5.3
301.16556	14.9
301.19864	2.0
316.28424	1.8
318.32681	1.4
393.26196	2.7
411.27676	6.3
423.27448	41.6
424.27667	1.6
431.27902	2.5
437.29034	9.8
449.28955	2.1
463.30557	7.2
477.27994	3.1
478.84698	1.7
495.28986	73.6
496.29858	3.3
513.30536	23.1
787.84741	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	7.3
65.68642	0.4
67.05513	7.2
69.03438	5.5
69.07081	1.3
69.29679	0.3
69.61855	2.2
71.01363	0.7
71.05004	0.8
73.02924	5.6
79.05495	2.5
81.03441	2.3
81.07072	4.2
83.04988	0.6
83.08640	0.6
85.02909	9.1
87.04504	0.7
91.03965	6.0
91.05495	2.3
93.07045	3.7
95.04990	0.5
95.08612	3.3
97.02901	8.9
97.06527	0.3
99.04469	1.4
101.02388	2.8
105.07040	1.6
107.08614	1.5
109.02917	1.3
109.10179	4.9
110.02648	0.4
117.07068	0.7
119.08622	1.3
121.10137	1.0
127.03938	2.8
128.11674	0.3
131.08600	0.6
133.10162	0.9
135.11729	1.1
142.68890	0.4
145.10120	0.6
147.11844	0.4
159.11810	0.5
163.11205	0.3
173.11870	0.9
185.04301	1.0
195.09998	0.7
203.05429	1.1
229.14433	0.8
243.08388	2.6
291.19571	0.5
335.25903	0.4
347.03482	0.4
347.09665	2.7
363.09061	0.6
365.10699	1.4
405.13715	7.1
405.18613	0.6
413.17853	6.4
448.51929	0.4
519.29272	7.5
575.23267	4.6
681.34644	8.9
691.39911	1.7
712.19299	0.4
853.45624	100.0
854.45837	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	854.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76998	0.6
61.02925	5.1
65.03950	1.0
67.05510	23.1
69.03389	2.5
69.07076	10.9
71.05010	3.6
73.02885	2.2
79.05499	15.0
81.03436	3.5
81.07061	58.3
82.07336	0.7
83.04991	5.5
83.08628	7.6
85.02902	5.9
85.06552	3.6
87.04446	0.6
91.03980	4.4
91.05489	19.8
93.06498	0.8
93.07047	15.1
95.04983	3.7
95.08613	16.2
97.02880	3.8
97.06522	4.7
97.10125	1.7
98.21513	1.6
99.04446	1.4
99.08116	2.8
99.08640	0.7
101.05968	1.1
105.07036	25.9
107.04952	1.2
107.08603	13.4
109.06542	4.9
109.10149	3.7
111.08050	1.4
113.05983	0.8
115.07513	0.8
117.06964	2.3
119.08592	20.8
121.06511	1.5
121.10149	15.1
123.08099	3.2
123.10850	1.2
123.11714	21.8
125.09599	1.8
127.03905	1.6
127.07516	2.3
129.05472	1.5
129.07018	1.1
131.08546	2.3
133.10149	4.3
135.11671	1.8
137.09590	0.7
137.13210	1.2
139.03856	0.6
141.09064	1.0
142.16658	0.6
145.04929	1.0
145.06407	0.7
145.10089	1.6
147.11694	60.4
148.11984	1.5
149.09584	0.7
149.13211	2.1
151.42926	0.6
157.08600	0.6
157.10110	3.0
159.11665	0.9
163.05966	1.4
163.11183	1.1
165.12772	24.6
166.13081	0.6
175.11194	2.2
177.12741	0.9
183.13838	2.3
193.12213	1.7
195.13811	0.9
199.13258	1.0
209.11772	0.9
211.13223	1.0
227.12717	1.4
229.14362	8.6
264.22195	0.6
267.15930	70.7
268.16214	1.8
269.17505	5.4
283.15381	1.6
285.16977	84.2
286.17276	1.4
301.16498	2.3
339.23410	0.8
411.27536	0.7
423.27646	3.4
459.27582	1.3
477.28522	17.2
495.29575	100.0
496.30057	3.2
515.76471	0.7
639.33716	0.8
855.39362	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	11.1
65.03944	2.5
67.05512	26.4
69.03431	6.4
69.07074	8.6
71.04990	5.1
71.54929	2.1
73.02921	4.3
79.05496	28.7
81.03424	86.0
81.07064	34.9
83.04989	20.7
83.08628	31.1
85.02912	39.9
85.06543	3.0
91.03970	5.8
91.05487	37.1
92.22040	1.6
93.07047	21.1
95.04974	32.9
95.08607	13.2
97.02391	1.4
97.02901	9.4
97.06541	6.5
97.10195	4.9
99.04458	2.3
105.07040	28.4
107.04972	10.2
107.08598	9.5
109.06538	6.8
109.10139	4.0
111.04432	3.0
111.08084	13.8
113.05989	2.9
115.05453	2.6
117.06999	2.7
119.08580	24.4
119.36397	1.5
121.06483	2.5
121.10146	11.8
123.08095	3.3
123.11713	2.6
125.09660	2.8
125.12041	1.4
127.03942	2.2
128.31792	1.3
129.07028	16.5
131.08580	16.2
133.06477	3.1
133.10149	15.2
134.10489	1.8
135.08087	1.3
137.06010	2.5
137.09639	1.9
142.07809	3.6
145.04996	2.4
145.10132	3.2
147.04453	2.6
147.08044	3.8
147.11699	17.9
149.09631	9.6
155.08492	1.4
157.10143	19.6
157.11317	1.9
163.06004	2.6
163.11241	2.2
165.12730	3.1
167.07120	1.8
170.08022	1.6
175.11203	18.9
192.02428	1.3
193.12256	58.7
194.12511	1.5
211.13306	92.4
241.50125	1.6
245.71783	1.4
267.15936	48.1
285.16989	86.0
348.83340	1.4
367.22632	4.4
385.23779	6.0
403.24503	1.7
432.24207	1.6
433.25797	3.2
459.27451	40.3
477.28546	43.8
495.29584	100.0
496.29645	3.6
639.33496	2.9
666.17590	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5827
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69623	5.1
67.05506	40.0
69.03433	8.7
69.07067	11.8
79.05501	34.5
81.07056	55.4
83.08604	10.2
91.05471	30.9
93.07059	35.4
95.04980	6.4
95.08604	22.8
97.06538	7.7
98.21623	7.5
105.07033	12.4
107.08595	21.9
109.06525	6.6
109.10137	12.1
117.07013	6.5
119.08588	12.9
121.10184	12.9
123.11666	7.3
131.08667	10.8
133.10139	16.6
135.11725	15.7
145.10089	9.8
147.11702	6.8
149.09593	10.2
155.63000	4.9
159.11780	8.8
173.13292	6.3
209.35225	5.2
229.91440	5.6
250.99611	6.1
257.19077	6.7
261.22250	9.4
269.17542	34.8
275.20129	19.1
335.25824	100.0
349.23795	23.7
430.88205	5.4
431.91858	5.2
465.37500	5.3
515.37268	11.4
529.38904	80.1
609.44891	16.5
627.45630	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	853.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	6.5
65.03941	0.5
66.29440	0.4
67.05171	0.9
67.05509	9.7
69.03432	3.9
69.07070	1.8
71.01363	0.9
71.04985	0.8
73.02923	4.9
79.05496	4.7
81.03416	2.7
81.07052	6.1
83.04993	1.4
83.08640	1.0
85.02910	7.8
85.35906	0.5
87.04459	0.5
91.03963	4.1
91.05477	4.2
93.07058	3.6
95.04980	0.8
95.08629	3.2
97.02890	8.1
97.06527	0.7
97.10184	0.6
99.04466	1.7
101.02388	1.9
105.07033	3.1
107.04987	0.5
107.08601	1.9
109.02887	0.9
109.06533	0.6
109.10164	7.4
111.08115	0.7
117.07025	1.1
119.08573	2.5
121.10168	1.5
123.11707	0.5
125.09705	0.8
127.03952	2.0
129.07036	0.6
131.08566	1.0
133.10164	2.1
135.11725	0.6
145.10168	1.1
147.11757	1.0
155.10745	0.6
157.10100	0.8
173.11807	1.5
173.13200	0.6
185.04280	1.0
203.05345	0.7
207.11874	0.4
223.13368	0.6
229.14409	1.6
230.07678	0.5
243.08505	2.0
251.12712	0.9
253.14412	1.4
273.18600	0.7
275.20203	0.9
281.96042	0.5
291.19501	2.3
292.19989	1.5
298.55780	0.5
314.89835	0.5
335.26096	0.6
347.09561	2.8
365.10770	1.1
365.23450	1.8
366.23846	0.5
405.13666	6.4
413.17889	9.4
413.23206	0.8
519.29279	4.5
575.23126	9.7
593.34845	0.5
655.41821	0.5
656.42224	0.7
670.53821	0.5
681.34747	3.9
691.40271	2.6
853.45587	100.0
854.45996	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	852.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	0.6
62.47472	0.7
62.87862	0.6
63.39444	0.6
65.03921	0.9
67.05506	20.9
69.03432	6.7
69.07070	22.9
70.09658	3.0
71.04983	1.7
72.34499	0.5
76.80004	0.6
79.05498	20.1
79.93559	0.5
81.03416	4.9
81.06587	1.0
81.07063	18.1
81.39675	0.5
83.01377	0.6
83.04995	2.8
83.08627	7.2
85.02902	1.6
85.06513	0.7
91.05482	14.9
93.06481	0.8
93.07049	14.2
95.04965	6.9
95.08613	8.4
97.02901	9.1
97.06555	3.6
97.10172	10.9
103.05460	0.6
105.07040	12.0
107.04951	6.5
107.08601	10.3
109.06509	2.1
109.10152	5.9
111.04444	1.0
111.08081	1.9
115.05436	0.8
117.07018	5.5
119.04932	1.4
119.08581	9.9
120.05743	0.8
121.06513	4.2
121.10148	3.3
123.08028	3.3
123.11742	0.7
125.09641	6.2
128.06242	1.3
129.07043	3.2
130.07767	0.7
131.08563	7.1
133.06482	2.4
133.10114	3.3
134.07300	1.5
135.08040	2.9
135.11668	1.8
137.09596	2.0
143.08572	2.7
145.06480	0.8
145.10138	4.2
147.08043	6.3
147.11694	2.3
149.09599	1.6
149.13252	2.0
151.11194	0.8
153.09184	0.6
157.10153	1.9
159.08073	1.2
159.11723	2.5
161.09639	2.3
162.10368	1.1
163.11249	0.9
165.09116	1.0
171.10281	0.6
171.11668	1.5
173.09645	0.8
175.11206	2.3
177.12744	0.8
185.13290	0.7
185.74352	0.7
189.11201	4.1
193.12213	1.0
195.13774	1.4
205.12230	1.9
211.13249	0.9
223.13293	16.8
227.12773	4.6
227.17815	0.8
245.18948	1.6
249.14900	4.1
263.20364	0.9
267.15811	1.2
273.18463	13.9
283.15338	0.8
291.19553	100.0
292.19949	2.8
322.14178	0.6
347.22321	3.5
354.84702	0.7
365.23245	43.8
366.23788	1.3
466.27026	0.7
557.34491	2.0
575.35358	1.9
637.40649	2.3
655.42047	41.2
656.42139	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	1.8
67.05492	2.0
69.03416	1.4
69.28356	5.7
71.12786	0.6
72.08147	0.6
79.05477	3.1
79.21478	0.6
81.01046	0.7
81.03406	2.8
81.07062	1.0
85.02917	3.6
91.05491	5.9
93.07024	0.9
94.04167	2.1
95.04972	3.4
97.06542	0.9
103.05474	17.4
105.03377	1.2
105.07021	3.0
107.04942	3.6
107.08639	0.9
108.02091	1.9
109.02898	0.8
109.06496	1.9
111.04461	1.0
115.05480	3.8
117.07042	3.5
118.04166	2.6
119.04970	4.6
121.06506	1.3
122.03680	3.5
123.04414	1.8
125.05989	2.0
129.06992	1.2
130.04129	0.9
131.04939	32.2
132.05696	0.8
133.02856	2.0
133.06461	3.7
135.04361	0.9
135.08054	2.4
136.08862	0.6
137.05988	69.1
139.07506	0.7
139.61893	0.6
141.05475	1.6
143.04927	2.1
145.06502	4.8
146.03593	1.5
147.04413	6.1
147.08057	1.5
148.05196	9.4
149.05980	2.1
151.03917	83.6
151.04988	4.4
153.05466	2.7
157.06525	1.2
160.05180	1.6
161.05989	2.7
162.06686	0.9
163.07558	22.3
165.05508	5.1
165.09184	0.9
167.07050	10.3
171.04442	0.9
173.05969	4.0
175.07559	6.0
176.04677	2.2
177.05472	3.4
177.09113	1.0
179.07059	7.9
181.04970	17.1
187.07582	2.3
189.05409	1.2
189.09129	2.2
191.07042	100.0
192.07455	2.0
193.06604	1.1
193.08659	2.0
195.06448	0.8
201.05423	1.1
203.07066	4.7
205.06686	1.3
205.08635	4.0
206.07368	1.0
207.08269	1.0
207.10210	1.4
209.08109	5.0
217.06712	0.8
217.08658	1.8
219.10182	2.1
221.08046	0.9
223.09668	0.9
227.07051	1.0
231.06421	1.5
233.08046	3.9
234.06856	1.1
235.07582	1.0
235.09587	3.8
237.09138	2.7
245.08142	1.4
249.09161	1.2
251.07051	0.8
263.09174	22.0
265.08557	1.7
267.10114	1.8
269.11691	0.7
277.08594	1.5
279.10010	0.7
283.09793	1.1
293.08218	1.3
295.09735	1.7
297.11340	0.8
299.12793	0.8
307.09732	0.8
309.11172	1.9
314.11526	1.0
325.10785	1.2
327.12302	4.3
329.13910	2.4
337.10675	2.5
339.12494	1.2
341.13724	1.4
351.12415	1.9
355.11795	10.2
359.14755	2.1
369.13281	5.3
372.29330	0.7
387.14420	56.7
388.14557	1.2
517.18500	3.0
549.21161	2.7
721.32117	0.8
721.60065	0.7
822.84045	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
62.62163	0.5
63.03914	0.6
65.03936	2.2
67.05522	1.1
69.03418	1.4
70.01041	2.6
71.04972	0.5
76.61567	0.5
77.03928	0.7
79.05489	2.0
81.03417	2.8
85.02921	3.3
91.05489	4.9
93.03413	0.5
94.04189	1.7
95.04971	1.9
97.02862	1.1
97.06522	0.7
103.05473	19.2
105.03392	1.4
105.07019	2.5
106.66463	0.5
107.04963	3.3
108.02107	1.7
109.06496	1.4
111.04436	1.0
115.05476	3.4
117.07031	2.9
118.04163	4.4
119.04970	5.2
120.05681	0.6
121.06502	1.1
122.03642	2.8
123.04431	1.6
123.27160	0.6
125.05983	1.5
128.06224	0.5
129.06990	1.6
130.04118	1.2
131.04939	24.6
132.05821	1.0
133.02859	2.6
133.06526	3.4
135.08047	2.7
137.05983	46.3
139.07524	0.6
141.05521	1.1
143.04932	1.9
144.05728	1.0
145.06525	3.7
146.03645	0.9
147.04433	4.8
147.08076	0.8
148.05209	8.9
149.00587	1.6
149.06003	3.2
151.03917	75.4
151.04997	4.5
151.07468	2.5
152.04445	0.7
153.05435	2.4
157.06502	1.3
159.08078	1.1
160.05205	1.6
161.00595	0.7
161.05983	4.3
162.05482	0.6
163.07547	23.6
165.05557	2.7
165.09169	0.9
167.07043	11.3
171.04378	0.8
171.06558	0.5
173.06032	4.1
174.06703	0.8
175.07559	7.7
176.04733	2.5
177.05556	3.5
178.00839	1.9
179.07076	3.7
181.04965	19.3
181.06531	1.1
187.07542	3.2
189.05466	1.3
189.09108	1.4
190.06221	1.0
191.07039	100.0
192.07487	1.5
193.03207	16.0
193.04877	0.8
193.08612	2.2
195.06538	1.3
201.05560	0.9
203.06999	4.9
205.06665	1.0
205.08638	5.0
205.10103	0.5
206.07387	0.5
207.08250	0.7
207.10117	1.6
209.08081	3.9
215.07121	0.7
217.08568	3.2
219.10229	1.6
221.07928	1.0
223.07565	0.6
231.08287	0.6
233.06078	0.7
233.08058	3.3
234.06850	1.0
235.07555	1.3
235.09634	4.7
237.09091	1.8
241.08583	0.8
245.08078	1.2
247.07407	0.7
247.09744	0.7
249.09187	1.3
255.10291	0.8
259.09756	1.2
263.09186	21.0
265.08551	1.5
265.10809	2.0
267.10281	1.2
269.08203	0.6
277.08597	1.3
279.10046	0.7
282.07843	2.9
283.09720	0.9
291.10193	0.7
294.08890	0.5
295.09717	2.1
297.11227	0.8
299.12756	0.7
300.09372	1.7
301.10571	0.8
307.09732	1.6
309.11255	1.4
314.11569	0.6
322.28979	0.5
325.10739	1.5
327.12213	2.9
329.13821	2.0
337.10757	1.6
339.12302	1.5
341.13916	1.6
351.12369	1.7
355.11752	7.8
357.13290	2.8
359.14911	1.0
365.14163	0.6
369.13409	6.1
371.14966	1.8
387.14410	88.8
388.14691	3.4
413.15906	0.7
549.19830	6.2
766.34113	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
62.62163	0.5
63.03914	0.6
65.03936	2.2
67.05522	1.1
69.03418	1.4
70.01041	2.6
71.04972	0.5
76.61567	0.5
77.03928	0.7
79.05489	2.0
81.03417	2.8
85.02921	3.3
91.05489	4.9
93.03413	0.5
94.04189	1.7
95.04971	1.9
97.02862	1.1
97.06522	0.7
103.05473	19.2
105.03392	1.4
105.07019	2.5
106.66463	0.5
107.04963	3.3
108.02107	1.7
109.06496	1.4
111.04436	1.0
115.05476	3.4
117.07031	2.9
118.04163	4.4
119.04970	5.2
120.05681	0.6
121.06502	1.1
122.03642	2.8
123.04431	1.6
123.27160	0.6
125.05983	1.5
128.06224	0.5
129.06990	1.6
130.04118	1.2
131.04939	24.6
132.05821	1.0
133.02859	2.6
133.06526	3.4
135.08047	2.7
137.05983	46.3
139.07524	0.6
141.05521	1.1
143.04932	1.9
144.05728	1.0
145.06525	3.7
146.03645	0.9
147.04433	4.8
147.08076	0.8
148.05209	8.9
149.00587	1.6
149.06003	3.2
151.03917	75.4
151.04997	4.5
151.07468	2.5
152.04445	0.7
153.05435	2.4
157.06502	1.3
159.08078	1.1
160.05205	1.6
161.00595	0.7
161.05983	4.3
162.05482	0.6
163.07547	23.6
165.05557	2.7
165.09169	0.9
167.07043	11.3
171.04378	0.8
171.06558	0.5
173.06032	4.1
174.06703	0.8
175.07559	7.7
176.04733	2.5
177.05556	3.5
178.00839	1.9
179.07076	3.7
181.04965	19.3
181.06531	1.1
187.07542	3.2
189.05466	1.3
189.09108	1.4
190.06221	1.0
191.07039	100.0
192.07487	1.5
193.03207	16.0
193.04877	0.8
193.08612	2.2
195.06538	1.3
201.05560	0.9
203.06999	4.9
205.06665	1.0
205.08638	5.0
205.10103	0.5
206.07387	0.5
207.08250	0.7
207.10117	1.6
209.08081	3.9
215.07121	0.7
217.08568	3.2
219.10229	1.6
221.07928	1.0
223.07565	0.6
231.08287	0.6
233.06078	0.7
233.08058	3.3
234.06850	1.0
235.07555	1.3
235.09634	4.7
237.09091	1.8
241.08583	0.8
245.08078	1.2
247.07407	0.7
247.09744	0.7
249.09187	1.3
255.10291	0.8
259.09756	1.2
263.09186	21.0
265.08551	1.5
265.10809	2.0
267.10281	1.2
269.08203	0.6
277.08597	1.3
279.10046	0.7
282.07843	2.9
283.09720	0.9
291.10193	0.7
294.08890	0.5
295.09717	2.1
297.11227	0.8
299.12756	0.7
300.09372	1.7
301.10571	0.8
307.09732	1.6
309.11255	1.4
314.11569	0.6
322.28979	0.5
325.10739	1.5
327.12213	2.9
329.13821	2.0
337.10757	1.6
339.12302	1.5
341.13916	1.6
351.12369	1.7
355.11752	7.8
357.13290	2.8
359.14911	1.0
365.14163	0.6
369.13409	6.1
371.14966	1.8
387.14410	88.8
388.14691	3.4
413.15906	0.7
549.19830	6.2
766.34113	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	3.9
60.72560	1.0
61.02930	12.1
65.03951	1.9
67.05512	100.0
69.03427	3.5
69.07080	7.5
70.02004	1.0
71.04987	4.7
73.02927	5.1
79.05502	22.7
81.03432	1.5
81.07069	41.2
83.04997	1.6
83.08611	8.8
85.02914	15.1
85.06541	2.2
91.03977	9.2
91.05494	15.3
93.06476	1.9
93.07053	28.8
95.04975	2.3
95.08620	30.9
97.02911	8.1
97.06544	1.6
97.10180	2.8
97.86536	1.1
99.04433	1.9
105.04545	0.9
105.07037	9.5
106.51240	0.9
107.08594	15.2
109.06525	1.8
109.10167	81.1
110.10498	1.5
111.08105	3.9
115.79236	1.3
117.07047	3.9
119.08591	13.8
121.10164	15.3
123.11744	5.8
123.66563	0.9
125.09608	1.5
127.03939	4.4
131.08575	8.0
133.10135	6.6
135.11711	9.7
137.09645	3.8
137.13263	1.9
145.04988	3.5
145.10130	5.0
147.11705	4.2
149.13249	6.7
151.11218	1.3
155.10649	7.1
159.11702	4.2
161.13266	3.4
163.06004	5.1
163.14838	3.4
173.11749	19.3
173.13318	4.5
175.14854	1.8
177.16452	1.2
187.14865	2.5
223.93504	1.0
227.12794	7.9
229.14380	99.7
230.14677	1.2
239.81696	1.1
243.21114	6.0
243.59489	1.1
247.58717	1.1
261.22153	22.1
317.24847	2.8
335.25836	79.7
336.26077	2.4
397.31104	1.9
411.01517	1.3
415.17099	1.4
415.32047	1.7
471.34534	2.3
489.35797	80.5
490.36041	4.2
507.36932	6.8
633.39856	1.6
848.51459	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	848.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	4.2
61.02929	10.4
64.51831	0.6
65.03936	1.6
67.05508	100.0
68.05838	0.6
69.03437	2.9
69.07078	7.8
69.94095	1.9
69.94505	1.3
71.05000	4.3
73.02909	4.2
79.05499	19.3
81.03438	0.9
81.07059	37.0
83.04997	0.8
83.08628	7.7
85.02911	13.3
85.06544	2.7
87.04438	0.8
91.03951	9.3
91.05486	11.6
93.07049	26.0
93.07635	1.4
95.04969	1.7
95.08612	25.3
96.04494	0.9
97.02892	7.8
97.06535	1.5
97.10180	2.5
99.04465	1.1
99.08092	0.8
102.87851	0.7
105.07024	6.1
107.08600	14.2
109.02820	1.0
109.06510	0.9
109.10160	79.0
111.08096	3.2
117.07034	3.2
119.08581	10.2
121.10158	9.4
123.08048	0.7
123.11720	4.1
125.09689	0.8
127.03922	2.9
129.06944	0.8
131.08551	5.8
133.10118	6.3
135.11690	7.9
137.09634	4.0
137.13322	1.4
145.04935	4.6
145.10118	3.8
147.11694	2.8
149.13266	5.4
155.10648	7.3
159.11667	3.4
161.13271	2.4
163.06001	4.3
163.14847	3.5
173.11780	19.8
173.13277	3.1
175.14850	1.1
187.14862	1.7
189.11139	1.1
201.16385	0.9
205.30515	0.7
213.14807	1.0
226.49152	0.7
227.12785	8.5
229.14362	97.5
230.14827	2.2
233.22621	1.4
243.21075	5.4
261.22137	17.8
277.21899	0.7
277.62106	0.7
317.24619	2.7
335.25809	66.4
336.26007	2.8
379.29730	1.7
397.31021	1.8
415.32022	1.5
433.33221	0.8
471.34491	1.3
489.35782	42.7
490.36005	3.1
507.36914	7.2
521.86218	0.8
557.51917	0.6
848.50543	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5178
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	4.3
63.10070	0.4
67.05507	6.2
69.03429	3.5
69.07079	1.9
70.12360	0.9
70.12758	0.9
71.01351	0.5
71.05000	0.8
73.02914	3.2
79.05493	4.6
79.69591	0.4
81.03437	1.5
81.07069	5.5
83.01330	0.4
83.05004	0.8
83.08635	1.2
85.02917	5.4
87.04467	0.5
91.03972	3.1
91.05481	2.8
93.07048	3.8
95.05005	0.7
95.08614	3.7
97.02890	4.0
97.06537	0.5
97.10182	0.9
99.04471	1.0
101.02402	1.4
105.07030	2.0
107.08584	2.4
109.02888	0.9
109.10176	1.7
113.14127	0.4
117.07011	0.6
119.08620	1.6
121.10193	1.7
123.11755	0.5
127.03938	2.0
129.16554	0.4
131.08604	0.4
133.10127	1.1
135.11777	0.9
147.11707	0.8
147.21843	0.4
149.13284	0.9
159.11734	0.6
161.06059	0.5
167.03503	1.0
179.16090	0.3
184.49673	0.5
185.04362	0.7
203.05368	0.6
204.24541	0.5
209.02002	0.5
222.81429	0.4
243.08401	1.9
269.08194	0.4
321.13403	0.6
331.10269	0.5
335.26010	0.8
343.11990	0.4
351.21371	2.9
407.24121	0.6
418.29483	0.5
424.22430	0.4
519.29364	6.2
551.28943	0.5
569.29431	4.9
847.51782	100.0
848.52228	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	845.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	3.9
65.03970	0.8
67.05513	3.9
69.03449	3.1
69.07069	2.4
71.01342	0.7
71.05016	0.6
73.02930	3.1
79.05507	5.8
81.03422	1.1
81.07050	4.9
83.04989	0.7
83.08639	0.9
85.02908	4.3
91.03983	2.7
91.05489	4.9
93.07068	4.1
95.04970	0.8
95.08063	0.5
95.08604	3.1
97.02911	3.3
97.10194	0.8
99.04471	0.8
101.02416	1.4
105.07026	3.1
107.08606	3.1
109.10153	0.9
117.07036	1.3
119.08583	2.7
119.38791	0.6
121.10204	1.6
127.03955	0.9
129.05482	0.6
129.07050	0.9
131.08655	1.3
133.10182	1.9
135.11647	0.8
145.10146	1.4
147.11705	0.9
161.13329	0.7
184.07425	1.8
185.04285	1.2
203.05327	0.6
206.04593	0.6
229.64503	0.8
243.08385	4.5
301.09045	2.0
333.20432	2.2
341.12299	0.7
361.08737	0.6
419.96472	0.8
465.21423	1.8
504.37885	1.0
535.28912	5.2
551.28375	6.3
683.42737	0.9
759.43347	0.8
845.50262	100.0
846.50696	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	845.502
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02939	5.4
61.69101	0.5
63.59615	0.5
65.03947	0.6
67.05512	4.6
69.03447	3.0
69.07073	2.1
71.25204	0.9
73.02919	3.9
79.05513	5.0
81.03431	1.7
81.07068	5.6
83.04967	0.6
83.08628	0.9
85.02911	4.3
87.76354	0.5
91.03962	2.9
91.05487	5.0
93.07052	5.8
95.04991	1.5
95.08607	3.1
97.02902	5.0
99.04475	0.6
101.02399	1.9
105.07043	3.7
107.08562	2.9
109.10166	1.5
111.08108	0.6
117.07001	1.2
117.18975	0.5
119.08604	3.0
121.10180	1.2
127.03912	1.0
129.07047	0.7
131.08617	1.6
132.79338	0.6
133.10153	1.6
135.11748	1.8
137.44595	0.5
145.10138	1.0
147.11757	1.2
149.13304	0.9
151.12982	0.7
159.11702	1.2
169.67773	0.6
187.63956	0.5
193.10097	0.5
243.08446	4.0
259.20673	0.7
301.08914	1.0
315.10526	0.6
333.20569	1.4
385.18222	0.9
439.19333	1.2
447.06525	0.6
453.20944	1.3
465.21466	1.1
469.20688	0.9
535.28729	6.4
551.28290	8.1
623.31042	1.0
795.33636	0.7
845.50269	100.0
846.50806	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	845.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	5.2
61.14465	1.0
63.52222	0.9
65.03935	1.2
67.05497	6.4
69.03438	3.5
69.07082	1.4
71.04987	1.9
73.02928	3.0
73.88438	0.9
79.05505	4.3
81.03426	1.3
81.07066	4.7
81.47128	1.1
83.04967	1.0
83.08633	1.2
85.02907	5.6
88.37775	1.0
91.03978	2.7
91.05498	4.1
93.07077	4.0
95.08630	3.7
97.02920	4.2
98.21144	7.2
101.02392	1.9
105.07063	1.6
107.08606	2.8
109.10178	1.8
119.08647	1.6
121.06508	1.2
131.08594	1.2
133.10153	1.4
145.10127	1.2
147.35567	1.0
161.06088	1.6
184.07423	1.8
189.01910	2.0
190.25166	1.0
195.57243	1.0
200.45166	1.0
207.02982	2.4
214.31775	1.2
243.08386	1.3
250.99168	1.1
323.09366	3.1
335.26019	1.0
349.20050	3.3
493.67462	1.2
519.29419	3.7
567.27771	3.7
845.49902	100.0
846.50146	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	845.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02938	3.4
67.05510	4.2
69.03439	2.4
69.07074	3.1
69.08499	0.8
69.71684	4.9
73.02927	3.6
79.05494	4.4
81.03462	2.0
81.07070	4.5
83.04988	0.9
85.02930	2.8
91.03975	2.4
91.05475	3.9
93.07065	4.4
95.04994	1.7
95.08635	3.0
97.02908	3.3
97.06506	0.8
99.54225	0.8
101.02372	1.9
102.09447	0.8
105.07066	3.0
107.08618	2.5
109.10209	0.9
117.07038	1.3
119.08613	2.2
121.10110	1.2
127.03954	1.6
129.07010	0.9
133.10164	2.5
135.11708	1.6
145.05089	0.8
147.11749	1.7
184.07352	0.8
185.04350	0.9
199.64955	0.7
217.15793	0.9
243.08536	3.5
301.08954	1.6
303.15985	0.8
333.20535	2.1
513.04901	0.9
535.28815	4.7
551.28156	7.5
845.50214	100.0
846.50366	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	843.486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01984	0.3
61.02930	2.7
67.05514	5.0
69.03432	2.3
69.07072	3.5
71.01343	0.4
71.05010	0.5
71.55460	0.4
73.02917	3.1
79.05499	4.5
81.03432	2.2
81.07056	4.5
83.05000	0.7
83.08633	0.8
85.02912	3.5
87.04478	0.5
91.03963	2.2
91.05478	3.7
93.07040	3.1
95.01354	0.5
95.04999	1.0
95.08624	3.0
97.02892	3.6
97.06564	1.0
97.10172	0.5
99.04465	0.7
101.02393	1.1
105.07036	4.3
107.05003	1.4
107.08598	2.4
108.99708	0.3
109.02928	0.7
109.06545	0.6
109.10159	0.8
115.03979	0.3
117.07063	0.9
119.08590	2.2
121.10165	1.0
123.08060	0.6
125.09676	0.3
127.03949	1.0
131.08559	2.0
133.10129	2.1
135.08066	0.6
135.11726	0.8
141.06978	0.4
145.10159	1.3
147.11757	0.9
149.09639	0.6
159.11713	0.9
163.11290	0.6
171.11652	0.3
173.13264	0.4
179.14417	0.5
185.04282	0.4
187.11256	0.6
243.08392	2.5
253.33760	0.3
258.10696	0.3
275.20044	0.4
285.18369	0.5
304.90387	0.3
315.19345	2.7
333.20493	1.3
340.05127	0.4
371.22131	1.1
389.22897	0.6
439.19547	0.7
453.20993	0.7
454.29550	0.4
533.27216	9.3
534.27045	0.4
535.29297	0.5
549.26312	0.4
551.28320	5.4
843.48621	100.0
844.48920	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	843.5233
Annotation	Spiramycin 1
Peak:m/z	Relative Intensity
61.02938	3.9
67.05516	5.8
69.03439	2.3
69.07079	2.4
71.54797	1.5
71.55158	1.0
73.02936	2.8
79.05497	5.1
81.03428	2.1
81.07045	5.2
85.02927	4.6
87.75343	0.9
91.03985	4.2
91.05487	3.2
93.07075	4.2
95.08627	4.0
97.02895	5.4
105.07059	1.8
107.08567	1.6
109.02946	1.2
121.10165	2.1
127.03929	1.4
127.31905	1.0
133.10202	2.3
146.10446	1.1
175.53333	0.9
185.04419	1.0
203.56281	1.0
243.08536	2.3
295.54926	1.1
343.18210	1.1
347.22018	2.4
348.29343	1.1
519.29340	6.3
565.30103	3.8
605.18726	1.0
724.22028	1.1
843.52411	100.0
844.52911	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	843.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	5.1
67.05510	5.2
69.03434	2.9
69.07084	2.4
70.94233	1.3
71.01350	0.6
71.05021	0.6
72.70685	0.4
73.02918	4.3
79.05502	5.8
81.03429	1.7
81.07059	4.9
83.04994	0.9
83.08656	0.8
85.02915	5.0
90.50606	0.5
91.03970	2.9
91.05492	5.0
93.07043	4.5
95.04993	1.3
95.08630	3.3
97.02914	4.6
97.06567	0.7
99.04460	1.0
99.43498	0.5
101.02405	2.1
105.07059	3.9
107.04975	0.8
107.08600	2.9
109.02930	0.9
109.06511	1.1
109.10163	1.7
115.04040	0.6
117.06988	0.9
119.08598	2.1
121.10170	1.9
123.08168	0.5
127.03894	1.2
129.05553	0.5
129.07089	0.6
131.04958	0.5
131.08589	1.4
133.10141	3.2
135.11732	1.3
141.08003	0.4
143.08594	0.6
145.10165	0.8
147.11746	1.9
159.11725	0.8
161.09619	1.0
185.04233	1.2
193.12341	1.0
196.54294	0.5
199.93367	0.5
243.08450	3.7
301.08969	1.5
308.49631	0.5
309.10373	0.5
313.17706	1.2
315.10767	0.7
331.18890	3.1
347.18588	1.2
373.10999	0.5
403.45966	0.5
451.19562	1.8
465.21158	0.8
531.26141	2.1
535.28778	7.0
549.26886	3.7
565.26074	0.5
607.30896	0.8
745.41235	2.0
825.47742	8.8
826.47034	0.6
843.48645	100.0
844.48865	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	843.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06148	0.9
67.05516	1.0
70.65856	1.0
71.03889	2.7
81.07076	1.3
95.04984	1.3
109.19042	1.0
119.52872	1.0
178.38348	1.0
184.07449	1.3
306.29858	1.0
535.26672	1.8
566.79553	1.0
843.46594	100.0
844.46820	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	843.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	4.0
64.83653	0.6
67.05509	4.6
67.76372	0.5
69.03431	2.1
69.07069	1.3
70.99410	1.2
73.02921	2.7
79.05502	5.2
81.03419	2.0
81.07067	3.7
85.02922	4.2
85.06554	1.1
86.09711	0.6
87.56827	0.5
89.73896	0.6
90.04424	0.7
91.03959	2.5
91.05490	4.6
93.07042	5.5
95.04969	3.0
95.08619	2.2
97.02912	3.7
99.04488	1.0
101.02393	1.7
105.07056	3.2
107.05024	0.5
107.08593	2.4
109.06547	2.0
109.10175	0.9
112.36367	0.5
113.06031	2.4
115.06773	0.5
117.07069	1.5
119.08603	1.7
121.10172	1.7
127.03939	1.0
129.07042	0.8
131.08612	1.8
133.10153	1.7
135.08057	1.7
135.11702	1.3
137.74446	0.6
145.10133	1.5
147.11746	1.0
161.09706	0.7
167.47624	0.6
171.11685	0.7
184.07367	2.5
185.04254	0.6
201.03783	0.6
243.08530	3.2
243.63043	0.5
301.09149	1.3
315.10577	0.8
331.18832	5.1
373.11081	0.6
387.21533	1.7
427.98608	0.6
465.20956	1.0
535.28967	6.9
539.82465	0.6
549.27002	6.8
605.80658	0.6
621.28845	1.3
843.48651	100.0
844.49176	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	843.486
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.1
67.05507	3.6
69.03441	2.3
69.07069	2.9
71.01376	0.6
73.02929	2.9
79.05503	4.6
81.03426	1.7
81.07052	4.4
83.04998	1.5
85.02911	3.8
91.03954	1.1
91.05507	3.0
93.07050	3.4
95.04997	1.0
95.08624	2.6
97.02882	3.5
97.06532	0.8
97.10193	0.9
101.02406	1.7
105.07019	3.6
107.08640	1.6
109.06505	0.6
109.10188	1.3
117.07017	0.9
119.08578	2.5
121.10151	1.1
127.03956	0.9
131.08609	1.8
131.58194	0.6
133.10110	2.5
135.11737	0.9
145.10109	0.9
147.11751	1.1
150.47955	0.5
173.13339	0.6
188.21080	0.5
215.31151	0.6
229.11008	0.6
243.08426	3.0
301.08850	1.2
315.19391	2.4
331.18900	0.7
333.20389	0.9
371.22021	0.9
401.66840	0.5
453.21158	0.6
533.27496	5.8
535.28876	3.7
549.26923	1.5
551.28381	4.2
707.92169	0.7
843.48657	100.0
844.49060	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	843.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	4.8
62.17385	0.5
62.61676	0.6
67.05512	6.5
67.51579	0.5
69.03427	3.2
69.07061	1.6
69.26073	2.6
69.26499	3.0
71.04995	1.3
73.02922	3.2
73.57555	0.6
79.05503	2.4
81.03407	3.1
81.07059	2.5
83.08595	1.3
85.02909	4.7
85.95895	0.6
91.03946	2.9
91.05482	2.4
93.07040	1.9
95.04980	2.0
95.08632	0.8
97.02890	4.4
97.06517	0.9
101.02410	1.7
105.07062	1.7
107.08616	1.2
107.09560	0.6
109.02875	1.5
109.10170	6.5
111.08145	0.6
119.08585	1.9
121.10161	1.4
127.03923	1.9
129.07005	1.1
131.08603	0.9
133.10194	0.9
137.02298	0.8
146.13506	0.6
147.11696	0.8
149.09657	1.1
155.10696	0.6
157.10136	1.3
173.11745	1.7
185.04239	1.4
193.12303	2.0
195.10081	0.6
229.14345	1.4
243.08562	2.4
247.49905	0.6
267.15979	1.1
283.15265	4.7
285.17108	0.7
301.08896	3.4
309.16968	0.7
315.10471	0.9
323.18307	0.8
325.14584	1.0
339.17719	0.6
373.11096	0.9
376.44934	0.6
385.18350	2.0
399.19891	0.7
409.51584	0.7
413.17844	12.5
427.19586	2.5
441.21106	1.0
465.28174	1.6
469.20746	2.3
499.21320	0.8
501.23111	16.4
511.28979	1.4
526.43628	0.6
529.22644	4.1
538.55310	0.7
573.24713	2.8
601.28217	0.7
613.31897	0.9
615.29773	0.9
629.31244	1.3
641.31775	2.0
643.32629	1.1
653.32489	1.0
673.34119	100.0
674.34314	6.0
687.34961	0.9
699.35596	1.1
701.37341	3.2
729.36798	3.2
739.37903	4.0
843.43604	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	842.5623
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	5.8
65.03937	4.9
65.43506	1.6
67.05507	86.8
68.15161	1.6
69.03418	5.4
69.07068	24.5
71.04984	4.8
71.08657	1.8
71.55778	3.0
73.02927	1.9
78.90082	1.8
79.05495	55.3
81.03410	7.1
81.07058	74.1
82.07391	2.2
83.04972	5.8
83.08627	11.5
85.02917	4.8
85.06519	2.4
86.09708	11.0
91.03946	2.5
91.05480	36.1
93.07047	54.0
94.07369	2.5
95.04981	7.0
95.08609	45.0
97.02911	5.4
97.06509	9.3
97.10174	4.2
99.04488	2.2
99.08118	1.7
101.02359	2.7
105.07031	29.7
107.04956	4.3
107.08595	31.7
109.06522	4.9
109.10162	41.2
111.08115	4.7
117.07023	10.8
119.08585	23.3
121.06523	3.2
121.10138	24.5
123.08136	2.4
123.11741	6.6
125.00028	5.4
125.09620	4.0
127.03942	2.9
129.07030	3.8
131.08577	17.6
133.10146	20.5
134.10457	2.5
135.08087	3.5
135.11688	15.5
137.09631	2.9
137.13219	2.0
143.08607	2.8
145.10126	14.1
147.08144	1.8
147.11743	12.8
149.09653	4.9
149.13219	9.1
151.11206	1.9
153.81992	1.6
156.82442	1.6
157.10159	4.2
159.11723	7.3
161.13263	5.7
163.11157	3.6
163.14925	2.8
165.12733	2.1
169.10107	2.2
171.11707	2.2
173.11780	6.3
173.13312	6.8
175.14890	2.9
177.16312	1.9
184.07338	34.9
185.13300	2.9
187.11125	1.7
187.14864	3.1
189.11320	1.9
195.11736	2.3
195.13748	1.9
213.14833	2.5
227.12802	6.1
229.14355	24.1
243.08434	3.9
243.21095	3.7
246.49680	1.8
247.20711	2.0
257.19098	3.0
261.22144	7.9
266.64590	1.9
269.17465	16.6
275.20053	17.7
277.21768	2.8
280.38870	1.8
293.21118	3.9
309.20636	3.7
317.24854	2.4
335.25793	69.0
336.25903	3.6
349.23767	15.6
367.24792	11.2
428.11163	1.9
489.35718	13.7
507.37360	2.1
519.29163	2.6
529.38892	33.1
533.27527	5.3
534.27374	7.9
549.26685	3.4
569.42303	13.2
609.45013	18.8
627.46014	15.8
746.42438	3.2
842.47351	100.0
843.48248	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	842.5622
Annotation	Unknow
Peak:m/z	Relative Intensity
62.16974	1.7
65.03944	3.4
67.04263	1.6
67.05508	98.3
69.03441	4.0
69.06741	1.7
69.07077	26.3
70.67062	4.9
71.04984	2.6
74.16484	1.6
79.05499	65.0
79.05965	3.2
79.94865	1.8
80.50043	1.7
81.03413	3.8
81.07063	93.0
81.67797	1.9
83.04964	5.9
83.08627	16.4
85.06537	4.8
86.09707	4.2
91.05486	37.1
93.07050	59.8
95.04958	6.4
95.08610	52.0
97.02848	2.9
97.06525	10.1
97.10152	7.2
105.07040	26.8
107.04940	3.6
107.08601	39.9
109.06527	6.4
109.10165	39.0
111.08072	5.5
117.07019	12.8
119.08595	21.3
121.06486	3.5
121.10159	23.6
121.49694	1.7
123.08059	4.3
123.11719	10.1
125.00027	4.0
125.09629	6.3
129.06999	4.1
131.08592	19.5
133.06537	2.0
133.10126	22.1
135.08040	2.1
135.11703	16.6
137.09644	2.9
137.13226	2.3
143.08592	4.4
145.10109	13.3
147.11722	13.5
149.09633	5.3
149.13251	13.3
155.10672	2.6
157.10133	3.5
159.11650	14.4
161.13245	7.3
163.11211	5.8
163.14745	1.9
169.10126	2.0
171.11737	4.0
173.11723	6.2
173.13263	7.8
177.12759	2.6
177.70906	2.0
184.07365	18.6
187.14723	2.0
195.13803	4.2
199.14865	2.0
227.12779	7.0
229.14377	23.8
230.15295	1.9
243.21017	5.1
257.19040	4.3
261.22241	10.9
267.15872	1.9
269.17462	29.6
275.20090	26.5
293.21097	5.5
317.24619	3.3
331.83383	1.8
333.24283	1.9
335.25812	100.0
336.26355	2.3
349.23734	22.4
367.24799	15.3
454.87543	2.1
489.35626	17.4
507.36591	3.2
529.38910	59.8
530.39807	2.4
569.42249	3.4
576.26117	2.2
609.45227	30.9
627.46320	19.7
842.46686	6.7
843.48517	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	841.4712
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92053	0.8
61.02932	3.6
67.05511	12.3
69.03431	3.3
69.07069	6.7
70.99370	1.0
70.99731	0.8
71.05003	1.1
73.02911	3.9
79.05493	8.2
81.03433	3.9
81.07059	10.9
82.07406	0.9
83.04962	1.4
83.08633	2.5
85.02896	3.7
86.92070	0.7
87.74630	0.7
91.03964	2.2
91.05484	8.2
93.07047	9.7
94.07436	0.8
95.04987	3.1
95.08623	6.4
97.02895	3.9
97.06549	3.4
97.10170	1.2
101.02393	1.2
105.07038	8.5
107.04982	1.9
107.08602	4.1
108.52821	0.8
109.02868	0.9
109.06522	2.8
109.10147	3.9
111.08079	1.0
113.06049	0.8
117.07018	2.1
119.08577	4.9
121.06498	1.4
121.10172	2.9
123.08083	1.3
125.09654	0.9
127.03953	1.6
129.06992	1.8
131.08592	3.6
133.06531	0.9
133.10124	5.1
135.08070	1.4
135.11679	1.7
143.08577	0.8
145.10121	2.0
147.11673	1.7
149.09676	2.5
151.11217	1.3
159.11742	1.6
161.09563	1.0
179.14394	0.9
185.04266	1.0
185.13280	0.8
193.12292	1.6
243.08551	3.0
273.18546	1.0
315.19482	3.1
331.18967	1.1
335.25906	3.6
336.26407	0.9
371.22000	1.7
386.99838	0.8
465.50040	0.8
531.26007	3.3
533.27246	12.1
549.26392	4.8
605.29041	1.1
670.78595	0.8
743.39734	3.1
823.46033	10.2
841.47076	100.0
842.47406	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	6.6
65.03945	3.4
66.49944	2.7
66.53581	3.6
67.05508	98.9
69.03434	15.2
69.07070	49.5
70.61192	8.7
71.02919	3.1
71.04993	17.8
73.02904	2.9
79.05498	84.6
81.03425	25.2
81.07061	82.5
83.04998	17.2
83.08630	13.8
85.02892	6.7
85.06539	6.6
91.04974	4.8
91.05486	64.9
93.07050	77.6
95.04971	21.0
95.08607	65.6
97.02904	14.2
97.06533	74.3
97.10174	4.3
99.08131	3.5
105.04517	4.2
105.07040	50.9
107.04939	10.5
107.08605	35.8
109.02843	3.7
109.06550	19.7
109.07137	3.5
109.10155	25.9
111.08061	8.9
115.07581	27.0
117.07044	21.4
119.08601	27.6
121.06486	10.3
121.10135	27.6
123.08057	9.5
123.11697	6.3
125.09651	3.3
127.03938	7.7
128.56206	3.2
129.07010	8.9
131.08583	29.1
133.06432	3.0
133.10143	24.4
135.08051	12.4
135.11708	18.3
135.65039	2.8
137.09584	5.2
143.08540	6.4
143.58376	2.8
145.06454	5.0
145.10132	24.0
147.08109	4.5
147.11700	11.1
149.09647	7.8
149.13245	9.7
157.10092	10.3
159.11739	14.0
161.09682	7.4
161.13246	5.4
163.11137	5.8
169.10120	4.2
171.11662	5.2
173.04385	7.2
173.13261	7.8
175.11089	4.3
175.14738	4.3
177.12778	5.6
184.07378	3.5
185.13254	4.4
187.14841	3.1
195.13771	3.7
214.56895	3.0
217.15849	7.8
245.19087	5.8
253.14340	5.7
259.20633	6.5
261.22125	8.6
267.15930	4.3
269.17468	11.7
273.18509	32.3
291.19571	21.2
307.19351	3.2
307.89996	3.0
333.24063	4.3
335.25830	100.0
336.26169	5.3
347.22144	13.4
347.50711	2.9
365.23279	13.0
471.06110	3.1
501.31628	3.3
515.37573	3.8
529.38910	29.5
566.70056	3.6
607.43317	7.8
625.44757	18.6
643.44965	10.3
841.46222	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	841.471
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	2.9
67.05509	12.1
69.03425	3.8
69.07081	6.9
71.24565	1.1
73.02919	2.8
79.05502	10.7
80.05825	0.9
81.03417	3.3
81.07066	10.5
83.04984	2.0
83.05502	0.6
83.08638	2.6
85.02911	3.3
91.03976	2.8
91.05486	7.9
92.05806	0.7
93.07054	8.9
94.07391	0.6
95.01354	0.6
95.04965	1.7
95.08616	5.8
96.08969	0.9
97.02881	3.5
97.06531	1.2
97.10191	2.5
101.02387	1.4
105.07044	6.8
107.04990	2.1
107.08588	5.2
109.06499	1.1
109.10154	3.6
109.93352	0.7
111.08104	0.7
117.07053	2.0
119.08595	4.4
121.06498	1.3
121.10170	2.9
123.08131	0.8
125.09655	1.0
127.03925	1.2
129.07036	1.4
131.08574	3.0
133.10101	3.8
135.08072	1.3
135.11693	1.5
143.08551	1.1
145.10139	1.5
147.11719	2.2
149.09653	1.6
149.13306	0.8
157.10181	0.9
159.11720	1.9
161.13246	0.8
163.11171	1.5
171.11821	1.0
179.14334	1.3
184.07376	0.7
187.14856	0.7
203.05289	1.1
223.13326	1.8
243.08421	4.9
269.17435	1.4
273.18726	1.1
275.20142	1.4
277.21713	0.9
291.19653	1.2
315.19476	2.3
331.18726	1.0
335.25888	1.9
336.26172	0.9
351.25296	1.0
366.23810	0.8
371.21783	0.8
387.21341	0.9
431.25208	0.8
533.27429	6.5
545.38806	1.0
546.38947	1.8
549.26599	7.2
626.45410	1.7
841.47076	100.0
842.47089	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	840.5474
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72486	2.2
61.02924	3.5
65.03938	8.9
67.05514	100.0
69.03430	11.2
69.07078	43.0
70.12211	3.1
70.12531	6.0
71.05005	7.3
79.05067	4.9
79.05507	86.0
81.03427	13.9
81.06585	5.1
81.07067	91.9
83.04994	11.9
83.08631	23.7
85.02906	8.2
85.06561	4.2
91.05492	86.1
93.07059	91.1
95.04974	11.9
95.08056	4.4
95.08620	58.3
97.02915	7.9
97.06546	14.3
97.10177	11.5
99.08085	4.2
103.05502	2.6
105.04556	3.3
105.07042	85.3
107.04987	8.7
107.07881	3.0
107.08607	54.1
109.02914	3.0
109.06544	7.5
109.10159	26.9
111.04466	2.4
111.08113	6.0
115.05467	2.7
117.07024	33.7
119.07797	5.1
119.08601	66.2
121.06517	5.9
121.10166	34.4
123.08092	6.3
123.11715	9.3
125.09621	6.7
127.03956	4.3
128.06245	6.4
129.07011	21.3
131.08591	44.5
133.10149	51.6
135.08040	10.7
135.11716	26.1
137.09666	5.1
141.07036	8.0
142.07777	6.0
143.08585	29.3
145.10144	42.8
147.08093	5.3
147.11700	35.9
149.09663	10.3
149.13248	12.7
151.11133	4.1
155.08629	13.2
157.10188	22.0
159.08144	2.3
159.11731	33.5
161.13231	16.8
163.11215	8.8
165.12761	3.5
169.10143	13.1
171.11691	23.3
173.13275	21.9
175.11325	2.9
175.14839	7.8
177.12761	3.6
179.08615	4.0
179.14232	3.8
181.10117	9.0
183.11748	13.1
185.13286	15.7
187.14886	4.7
193.10162	3.2
195.11697	8.4
195.13583	2.5
197.13319	10.5
199.14824	7.5
201.16379	3.2
207.11841	3.6
209.13321	8.6
211.14876	4.6
221.13289	4.0
223.14897	3.2
225.16428	3.2
227.12737	4.3
229.14436	4.1
231.21114	4.5
235.14854	3.8
239.17999	4.7
241.19609	15.7
250.11043	2.6
253.14288	3.0
255.15984	10.7
257.19144	6.8
259.20602	41.6
269.17380	14.7
275.20044	21.0
277.21674	3.2
291.19733	2.8
297.22150	2.7
311.37787	2.7
315.23108	5.9
322.07944	2.7
333.24353	38.5
335.25711	7.2
337.73459	2.7
349.23959	11.9
351.25293	2.8
367.24759	3.0
417.30545	3.2
435.32684	6.9
513.35815	26.8
515.38000	6.4
527.37378	35.5
533.40076	3.2
545.38318	4.6
551.41608	3.5
607.43433	29.1
625.44727	35.4
643.46075	5.6
840.45569	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	840.547
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	5.1
67.05174	6.7
67.05512	93.0
69.03431	11.9
69.07073	35.7
71.04993	8.2
79.05500	83.5
81.03423	18.8
81.07068	100.0
83.05000	16.0
83.08613	19.9
85.06544	6.0
91.05485	96.9
93.07050	86.0
95.04978	13.1
95.08617	50.8
97.02880	4.7
97.06522	13.4
97.10153	6.4
105.04514	4.3
105.07040	85.3
107.04958	8.3
107.08607	46.9
109.06534	8.8
109.10142	19.8
111.08096	11.3
117.07024	43.0
119.08594	60.0
121.06506	5.1
121.10172	28.6
123.11742	5.1
128.06284	4.6
129.07037	20.0
131.08578	42.2
133.10144	59.2
134.10437	4.3
135.11729	27.2
137.09668	5.9
141.07016	7.1
142.07756	4.2
143.08572	16.7
145.10115	32.6
147.08167	4.1
147.11722	28.4
149.09702	9.8
149.13275	9.9
152.43219	4.0
153.07002	3.7
155.08583	8.6
156.09308	4.1
157.10156	16.5
159.11699	25.4
161.13281	16.0
163.11293	6.7
163.14833	4.6
165.12817	3.9
167.08604	4.7
169.10188	8.9
169.41867	3.4
171.11717	14.0
173.13234	12.0
175.14839	9.5
177.12819	4.6
181.10190	7.0
183.11703	10.5
185.13210	13.4
195.11717	7.4
195.13826	5.2
197.13240	7.7
199.14777	6.5
213.16489	4.1
221.13210	5.2
241.19612	12.9
255.15919	13.1
259.20621	42.6
269.17471	23.1
273.18665	5.1
275.20172	11.8
277.21487	4.7
283.14545	3.4
290.96204	3.4
315.23315	4.4
333.24332	35.6
335.25925	12.1
349.23676	11.8
403.29663	4.1
435.32700	7.4
453.33395	6.6
489.36020	4.5
513.35699	13.8
527.37231	46.7
545.38226	7.7
607.43787	19.3
625.44611	18.1
642.59137	4.0
841.46387	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	840.5471
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02940	5.6
65.03941	8.8
67.05175	7.6
67.05508	99.8
69.03419	7.8
69.07078	39.2
69.78799	3.6
71.05002	8.2
79.05502	86.2
81.03416	12.4
81.07064	100.0
83.04965	7.3
83.08625	20.6
85.02915	10.2
85.06547	6.3
89.06050	5.0
91.04978	7.0
91.05498	94.5
93.07050	90.4
95.04971	18.6
95.08618	58.8
97.06522	15.8
97.10166	12.6
98.15714	4.0
99.08120	4.2
105.07039	93.3
107.04965	9.1
107.08605	47.0
109.06541	9.1
109.10167	30.0
114.07608	4.5
115.05449	5.9
117.07039	40.9
119.08588	64.6
121.10165	37.2
123.08091	8.9
123.11738	7.1
125.09623	6.5
128.06224	9.1
129.07027	21.6
131.08603	54.6
133.10141	53.4
135.08055	8.9
135.11696	24.8
139.73503	4.7
141.07014	6.4
142.07800	9.0
143.08594	23.0
144.58270	4.0
145.10133	46.7
147.11722	37.4
149.09669	7.7
149.13225	13.5
151.11101	6.8
155.08586	12.6
156.09265	4.9
156.33945	5.3
157.10109	17.6
159.11700	39.7
161.13278	19.2
163.11220	8.3
167.08571	8.5
169.10170	22.8
171.11734	24.5
173.13249	15.8
175.14838	8.0
177.12813	5.2
181.10182	12.2
183.11687	19.3
184.07378	7.3
185.13278	21.3
187.11079	5.7
187.14890	7.6
195.11742	11.0
197.13281	12.6
199.14847	11.1
209.13315	8.0
211.14835	5.0
213.16388	9.4
221.13304	4.3
223.14886	5.8
227.12852	6.5
237.16432	7.7
239.18007	9.8
241.19379	9.1
255.15591	4.7
257.18991	10.4
259.20618	29.1
267.16144	4.4
269.17429	5.5
275.20035	30.4
333.24194	35.2
335.25912	5.4
349.23819	9.8
373.76627	4.5
453.34369	4.9
484.75082	4.3
513.35565	12.5
515.38922	6.6
521.36676	4.6
527.37122	14.3
533.39709	9.3
539.37036	5.4
553.38586	8.4
567.40613	7.0
607.43567	43.3
625.44788	29.4
840.45276	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	838.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	3.4
67.05509	67.2
69.03420	15.6
69.07072	45.6
69.58116	14.8
71.04977	5.6
79.05069	4.3
79.05495	68.5
81.03403	7.4
81.07059	56.0
83.04984	7.4
83.08609	16.5
83.83266	2.6
85.02888	4.1
85.06527	4.7
85.39178	2.3
87.04462	6.2
91.05481	70.2
93.07049	59.0
95.04974	14.6
95.08607	45.3
97.02886	13.0
97.06511	11.0
97.10177	21.9
99.08111	2.6
103.05512	2.9
103.47172	2.6
104.06276	2.6
105.07033	70.4
107.04957	13.5
107.08593	40.3
109.06511	11.4
109.10150	18.1
115.05454	4.5
117.07020	25.4
119.08579	49.3
121.06477	5.9
121.10176	24.8
123.08094	7.2
123.11707	5.5
125.09606	15.2
129.07042	13.7
131.08568	28.3
133.06540	5.0
133.10136	41.2
135.08032	10.6
135.11685	12.2
137.09560	6.1
141.07001	6.4
142.07889	2.8
143.08559	16.2
145.10132	26.5
145.22354	3.1
147.07999	5.2
147.11705	28.2
149.09587	6.4
149.13251	9.6
152.63951	2.6
155.08534	7.3
157.10127	13.2
159.11717	16.7
161.09586	3.7
161.13237	17.9
163.11188	2.5
169.10103	8.9
171.11636	15.4
173.11830	3.9
173.13264	7.8
175.11162	2.9
175.14821	10.3
177.12672	2.9
181.10129	3.4
183.11731	3.2
185.13240	8.2
187.14836	3.8
189.11215	11.9
197.13301	4.4
199.14804	5.3
213.16368	2.8
217.19510	2.7
223.13190	16.1
227.12787	13.7
231.20984	3.6
241.19534	19.9
247.20720	4.2
249.14702	4.4
257.19098	4.5
259.20599	39.0
271.16586	2.6
273.18503	12.1
275.20056	15.6
285.30490	2.8
291.19553	100.0
292.19888	6.4
315.23114	10.1
323.10791	3.0
333.24265	45.2
349.23898	8.1
365.23221	38.6
367.24911	2.9
379.29877	5.1
451.31940	3.3
511.34512	3.5
513.36584	2.9
525.35626	8.3
543.36682	10.5
557.09637	3.5
583.86987	2.7
605.41748	7.8
606.22980	3.0
623.43054	62.4
624.42798	5.2
641.43524	13.8
668.82520	2.8
747.20294	3.3
780.44598	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	838.5679
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.1
65.03940	2.6
67.05512	72.0
69.03445	7.3
69.07074	29.5
69.14240	1.3
70.66364	3.7
71.05005	14.3
73.06555	3.1
79.05502	58.9
81.03434	10.3
81.07066	82.6
83.04984	8.6
83.08617	12.4
85.02900	5.8
85.06537	4.0
87.04472	3.4
91.03963	1.6
91.05490	45.2
93.07053	61.0
95.04971	8.3
95.08614	44.6
97.02900	7.7
97.06545	10.9
97.10172	4.9
99.08092	4.7
105.07041	26.3
107.00195	1.3
107.04955	6.7
107.08604	32.4
109.02888	2.3
109.06522	5.4
109.10171	15.4
111.08089	5.1
113.09694	2.3
115.05446	1.6
117.07019	13.8
119.08598	21.9
121.06510	2.6
121.10149	23.3
123.08060	3.2
123.11708	4.3
125.09663	2.0
127.03909	2.6
129.05476	3.0
129.07007	5.2
131.08580	18.9
133.10136	22.4
135.08061	2.9
135.11716	15.7
137.09637	4.0
142.07767	2.0
143.08618	3.6
145.10136	14.9
147.08113	1.4
147.11697	13.7
147.98856	1.3
149.09641	8.8
149.13272	11.6
151.11185	2.0
151.87566	1.6
157.10124	5.9
159.11702	15.7
161.13261	6.3
163.11182	6.6
163.14803	2.2
169.10196	4.2
171.11658	2.8
173.04506	1.9
173.13205	7.2
175.14857	2.6
177.12764	4.7
184.07281	1.9
185.13278	2.6
187.14824	3.1
195.13737	3.8
197.13309	2.8
229.14279	1.9
239.18028	2.6
243.21172	1.7
257.19064	5.6
259.20447	1.7
261.22174	8.4
267.15784	2.7
269.17535	9.0
275.20129	23.3
278.13968	1.4
293.20953	1.7
317.24820	3.3
333.24216	1.6
335.25842	62.3
336.26389	1.7
339.18121	1.7
349.23746	22.0
388.78659	1.6
413.21576	3.3
431.31277	1.6
489.35794	1.8
515.37396	15.2
529.38947	100.0
530.39124	4.6
533.28430	1.3
569.41748	2.0
609.45270	23.0
627.45465	3.4
641.47937	6.9
673.42535	2.3
838.59344	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	3.3
67.05511	65.8
69.03443	5.8
69.07073	49.2
69.30784	18.9
71.04999	5.8
72.12547	2.7
73.02912	3.2
79.05494	61.4
81.03429	11.7
81.07065	77.9
83.04982	12.4
83.08649	13.1
85.06538	4.8
87.04473	9.5
91.05489	79.2
93.07050	62.8
95.01334	7.4
95.04972	13.1
95.08619	45.6
95.09186	4.8
97.02927	3.0
97.06533	32.1
97.10181	11.0
99.08106	2.9
103.05466	2.8
105.07037	91.7
107.04966	16.7
107.08606	36.8
109.06504	7.1
109.10185	18.1
111.08103	5.4
113.09673	2.5
114.10268	3.6
116.22357	2.4
117.07017	24.9
119.08585	51.0
121.06525	8.6
121.10178	20.7
123.04439	3.4
123.08073	5.4
123.11737	5.7
125.09630	7.1
127.03892	4.1
129.07011	9.2
131.08571	32.4
133.06458	3.1
133.10150	55.8
133.38280	2.6
135.08072	9.1
135.11696	14.8
136.06229	2.9
137.09610	4.1
141.07002	3.8
143.08597	7.8
145.06461	3.4
145.10146	29.0
147.08195	3.3
147.11697	24.9
149.09650	9.1
149.13286	7.5
151.11209	5.6
157.10130	12.3
159.08090	2.9
159.11722	18.8
161.13225	14.4
163.11180	7.1
169.10144	4.4
170.92668	2.8
171.11691	7.7
173.13290	7.2
175.14864	4.6
177.12817	5.9
179.14354	12.0
183.11705	5.6
185.59172	2.6
187.11224	2.9
195.13889	3.4
197.13223	2.9
219.17409	3.8
223.13194	3.5
225.16377	2.9
227.12839	6.6
239.18060	3.1
241.19498	6.2
247.20625	4.8
251.16469	4.2
253.14320	4.9
257.19067	11.3
259.20578	10.8
269.17502	18.3
273.18680	3.2
275.20090	93.8
275.23221	4.6
276.20419	3.3
291.19547	37.0
293.21259	5.6
315.23239	3.6
333.24081	15.8
349.23755	49.3
365.23340	10.0
367.25089	4.0
516.95947	2.6
525.36127	5.1
529.35266	21.0
543.36865	100.0
544.36804	6.0
605.41718	3.9
623.42810	44.8
641.44110	9.8
687.40863	4.4
780.45319	5.0
839.45093	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	6.6
65.03938	1.4
67.05513	32.2
69.03423	3.5
69.07072	12.3
69.26237	1.0
70.06563	1.1
71.04980	4.3
73.02923	2.8
79.05068	1.5
79.05502	24.7
80.25138	1.2
80.30535	1.0
81.03000	2.0
81.03429	31.8
81.07063	43.9
83.04995	8.2
83.08625	14.4
85.02908	13.9
85.06529	2.3
91.03950	3.9
91.05487	20.7
93.06483	1.5
93.07053	29.1
95.04977	12.7
95.08618	10.4
97.02898	6.8
97.06542	7.6
97.10174	2.1
99.04429	1.8
99.08081	3.0
105.07034	13.4
107.04945	3.0
107.08605	16.9
109.06506	4.0
109.10147	5.3
111.04455	2.2
111.08112	6.9
115.05490	1.3
116.10683	2.1
117.07011	3.9
119.08600	8.6
120.21725	0.9
121.06498	2.0
121.10159	11.2
123.08105	1.5
123.11647	1.8
127.03890	1.8
129.06989	5.2
131.08594	8.3
133.06488	1.9
133.10149	8.8
135.11703	5.1
142.07758	1.4
145.10136	2.1
147.08061	1.4
147.10675	1.2
147.11700	7.2
149.09612	4.6
149.13277	15.1
157.10158	7.1
159.11754	5.7
163.05960	1.3
163.11226	1.2
165.12761	2.2
175.11217	7.7
175.32111	1.1
177.12737	2.3
193.12245	20.8
195.13795	5.7
198.86598	1.0
211.13304	19.9
214.17989	2.9
229.14459	1.6
262.28577	1.0
267.15942	19.2
269.17505	58.3
270.17929	1.9
285.16995	19.8
420.16959	1.8
461.29037	41.2
462.29391	1.4
479.30093	100.0
480.30548	5.4
552.25201	1.1
573.34076	1.5
578.31909	1.3
623.33746	3.1
676.38495	1.6
694.40430	1.1
705.73608	1.2
706.56653	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05008	2.9
61.02924	2.8
65.03934	4.1
67.05510	91.7
69.03429	7.8
69.07072	13.7
71.01325	4.0
71.05022	5.1
71.55234	3.7
73.02917	2.4
79.05499	34.9
81.03426	100.0
81.07064	41.1
82.07395	2.5
83.04980	9.2
83.08624	30.2
85.02900	10.0
85.06533	5.2
91.05483	38.1
93.07053	24.3
94.01534	2.4
95.04984	33.8
95.08624	17.3
95.16190	2.5
97.02898	7.1
97.06546	7.7
97.10170	10.3
97.38946	2.7
98.83729	2.6
99.08104	3.5
103.03985	2.6
105.07034	20.2
107.04954	16.4
107.08609	18.4
109.02950	2.5
109.06532	12.9
109.09474	4.1
109.10172	56.1
111.04402	5.2
111.08096	10.9
115.05447	3.7
117.07034	6.0
119.08620	22.5
121.06508	11.8
121.10152	10.1
123.04446	4.3
123.08071	4.6
125.09605	12.0
126.04964	2.7
127.03931	4.2
129.07019	15.5
131.08588	13.4
133.06487	5.0
133.10104	9.0
135.08084	6.5
135.11728	6.4
137.09616	6.6
142.07832	2.7
145.10127	8.7
147.04428	7.5
147.08098	5.8
147.11696	10.3
149.09624	7.1
153.12766	4.3
155.10651	3.7
157.06509	3.2
157.10110	10.3
159.08072	3.2
163.11151	12.5
169.10153	2.7
171.11702	3.9
173.09608	3.7
173.11745	10.3
175.11188	10.8
179.03432	3.2
181.12230	4.5
187.11140	2.7
189.11220	3.9
193.12218	29.6
199.13271	3.4
209.11690	9.3
211.13289	7.3
219.13795	4.2
223.13231	2.7
227.12746	16.1
229.14383	40.9
231.14020	3.1
235.13228	3.7
247.13246	5.8
249.14838	5.7
259.13318	6.9
267.15955	80.7
273.18481	6.0
283.15414	9.5
287.05658	2.8
298.67667	2.6
301.16449	8.4
329.21161	3.3
335.25510	3.4
361.75305	2.8
365.21082	3.2
367.22644	4.1
383.22183	9.9
385.23776	4.9
399.23602	13.1
401.23215	6.2
403.24939	3.8
421.26019	16.3
458.27042	12.5
459.27481	4.6
475.26846	9.6
476.27789	15.6
493.27914	14.0
511.29489	3.9
518.32129	5.5
591.35516	6.5
736.62732	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	832.557
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	46.1
59.06118	4.0
60.04525	1.3
61.02929	5.1
65.03927	2.7
67.05509	23.1
68.05015	0.8
69.03427	2.1
69.07066	5.5
70.06587	2.3
70.74449	1.6
71.05006	1.1
72.08173	1.3
73.02892	1.6
79.05499	22.2
80.05014	1.3
81.03445	1.6
81.05804	1.0
81.07066	20.7
82.06586	4.7
83.04994	0.9
83.08628	2.9
84.04505	3.2
84.08155	7.1
85.02906	2.9
86.09724	0.8
91.03963	2.4
91.04958	1.4
91.05489	14.0
93.06476	1.2
93.07050	16.9
94.06572	9.9
95.04986	2.9
95.07353	1.1
95.08610	13.6
96.08140	2.5
97.02901	3.1
97.06526	1.0
97.10194	0.8
105.04533	1.1
105.07036	11.0
106.06573	1.7
107.04987	0.9
107.07411	0.9
107.08602	10.7
108.08118	2.6
109.02850	0.7
109.10173	4.9
110.09688	2.6
112.07617	3.0
114.09204	1.9
115.05513	0.8
117.07041	4.4
119.08593	7.5
120.08134	2.3
121.10151	5.3
122.09689	2.5
124.11221	4.0
128.78912	0.7
129.07033	1.9
131.08554	6.9
133.10117	4.5
134.09656	1.9
135.10587	1.0
135.11726	3.6
136.11229	2.3
143.08551	1.9
145.10110	4.6
146.09657	0.9
147.11705	2.9
149.13264	1.6
152.10745	2.2
154.12430	0.8
157.10123	1.1
159.11699	2.9
160.11174	1.0
161.13286	1.1
162.12689	0.7
163.11249	1.0
164.14378	2.7
171.11739	0.7
173.13275	0.9
180.13867	0.9
185.13289	0.8
220.17012	1.6
260.20193	1.6
272.18750	1.2
300.23212	1.9
301.21652	1.1
318.24301	5.1
335.25790	10.5
392.27924	3.7
410.29004	2.2
427.05988	0.9
532.40118	3.1
572.43060	2.5
612.46368	1.6
635.46735	1.7
652.49213	7.4
670.50433	100.0
671.50824	6.8
712.37683	0.7
712.50720	0.8
743.19409	0.9
814.55090	1.1
832.55670	17.4
833.56628	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4712
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	7.9
64.38645	0.6
67.05508	7.1
69.03437	4.7
69.07056	0.8
69.42390	4.8
71.01356	0.8
71.04970	0.7
71.08626	1.9
73.02929	5.2
81.03408	1.6
81.07054	2.6
83.08616	1.3
84.73357	0.6
85.02905	7.3
85.10191	1.4
91.03964	6.2
91.05516	0.8
95.08620	2.7
97.02903	7.2
99.04473	1.6
101.02396	3.4
106.35894	0.7
109.02871	1.3
109.10165	5.9
110.77651	0.6
115.03984	0.9
127.03944	2.4
159.64619	0.6
173.11739	1.9
184.07373	1.0
185.04303	2.0
195.09865	0.9
229.14479	1.4
243.08414	2.6
259.08020	0.7
313.27463	1.9
347.09494	3.2
365.10666	1.0
405.13751	7.1
413.17822	13.9
497.30704	6.2
537.30591	0.9
575.23157	11.3
659.36127	5.7
669.42059	3.1
831.47076	100.0
832.47394	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	831.5232
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	5.6
62.46121	0.5
62.49965	0.5
67.05513	5.0
67.42245	0.5
69.03431	3.4
69.07077	1.8
71.04995	1.0
73.02921	4.6
75.51029	0.6
79.05505	3.0
81.03431	2.3
81.07064	6.5
83.04996	1.1
83.08621	1.4
85.02917	4.3
90.73479	0.6
91.03983	3.6
91.05511	2.3
93.07075	2.9
95.05044	0.6
95.08616	4.4
97.02907	4.6
97.10204	1.0
98.21548	1.9
99.04491	1.5
101.02392	1.3
105.07048	1.7
107.08623	1.6
109.06550	0.7
109.10165	1.2
117.07053	0.7
117.24953	0.6
119.08591	1.6
121.10133	0.8
123.11786	0.7
127.03955	1.3
133.10168	1.2
133.35974	0.6
135.11687	0.9
185.04366	0.6
229.38812	0.7
243.08458	1.7
244.72624	0.5
246.39386	0.5
333.20547	1.1
335.22241	0.9
421.54504	0.6
519.29321	3.3
521.30481	3.4
525.02930	0.7
551.28552	1.4
553.30072	2.0
745.44855	0.9
831.52307	100.0
832.52417	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	831.5235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85675	0.8
61.02929	4.7
67.05514	7.3
69.03432	4.1
69.07073	2.2
73.02934	4.5
79.05483	4.2
81.03434	1.1
81.07049	8.3
83.08636	1.0
85.02921	5.7
91.03973	3.0
91.05500	3.3
93.07039	5.0
95.08613	4.4
97.02910	4.7
97.10172	0.8
101.02411	1.2
105.07018	2.2
107.08602	1.7
109.10210	2.2
117.07121	0.9
119.08603	1.8
121.10098	0.8
121.28764	0.7
123.44431	0.7
127.03898	1.9
133.10123	1.5
147.11778	1.1
184.07362	1.1
215.02354	0.8
229.13048	0.9
243.08469	2.4
333.20444	1.5
521.30914	6.9
551.28375	5.3
745.44373	1.6
831.52301	100.0
832.52399	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	829.5073
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	6.5
61.64952	0.4
63.82788	0.5
65.21237	0.5
67.05512	6.6
69.03436	3.8
69.07089	2.3
70.66995	1.4
71.01375	0.8
73.02930	5.8
77.08662	0.5
79.05502	5.9
81.03437	1.9
81.07062	8.1
81.07515	0.5
83.04988	1.0
83.08627	1.2
85.02911	6.6
91.03972	4.7
91.05481	3.5
93.07052	5.7
94.41026	0.5
94.87602	0.5
95.04993	1.6
95.08627	4.4
97.02900	6.1
97.06525	0.5
101.02415	2.5
103.03972	0.8
105.07050	2.5
107.08581	2.8
109.02935	1.0
109.10187	1.7
117.07021	0.9
119.08623	1.6
121.10171	1.6
123.11742	0.7
127.03948	1.4
131.08618	1.1
133.10185	1.4
135.11751	1.6
145.10121	0.7
147.11720	1.2
149.13184	0.5
184.81734	0.4
185.04295	0.7
192.59802	0.5
243.08400	2.3
333.20322	3.5
335.25845	0.5
389.23254	0.5
404.86179	0.5
428.93222	0.6
439.19196	0.6
453.20844	0.6
519.29248	8.1
551.28241	5.7
796.85376	0.5
829.50775	100.0
830.50958	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	829.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	3.7
62.05361	0.6
62.64515	0.5
67.05508	6.2
69.03428	3.4
69.07088	2.4
69.25863	1.3
69.26257	5.7
71.01367	0.9
73.02922	4.4
76.91599	0.6
79.05482	4.9
81.03437	1.8
81.07073	5.4
83.08576	0.8
85.02917	4.0
91.03979	2.6
91.05485	4.7
93.07058	6.4
95.04985	0.7
95.08598	3.0
97.02912	5.0
97.06548	0.7
98.21572	1.3
99.04443	0.9
101.02403	2.2
105.07046	4.7
107.08609	2.6
109.06524	0.7
109.10178	2.0
117.07021	1.2
119.08613	2.0
121.10180	1.7
127.03944	1.8
129.07101	0.8
131.08670	0.8
133.06519	1.3
133.10176	2.0
135.11717	0.9
145.10176	1.6
147.04449	1.3
147.11705	0.7
161.06033	2.5
227.07140	1.1
243.08392	3.7
301.09009	1.5
317.21057	2.9
373.24051	0.7
535.28864	14.9
535.36633	1.1
550.27710	0.8
593.82025	0.7
607.31213	0.9
712.59052	0.7
829.50616	100.0
830.50751	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	829.5079
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	4.3
67.05512	4.5
69.03440	3.0
69.07089	1.6
71.01360	0.9
71.05004	0.6
73.02924	3.8
75.67804	0.5
77.91897	0.5
79.05502	5.5
81.03439	1.3
81.07069	4.5
85.02908	5.2
91.03969	3.8
91.05492	5.3
92.11433	0.5
93.07056	6.2
95.04998	0.6
95.08612	3.1
97.02911	4.5
98.62325	0.6
99.04488	0.7
101.02402	1.8
105.04527	0.6
105.07068	3.5
107.08610	3.8
109.02872	0.9
109.10219	1.4
117.07069	0.8
119.08617	3.0
119.35068	0.5
121.10170	1.2
127.03941	1.1
131.08611	1.4
133.10168	2.8
135.11765	1.4
142.37540	0.6
145.10162	1.1
147.11723	1.3
159.11781	0.9
185.04338	1.5
190.78073	0.5
203.05286	0.6
226.08284	0.5
243.08414	4.2
259.20850	0.8
301.09091	2.6
315.10580	1.0
317.21066	1.4
324.24619	0.5
373.11401	0.8
465.21350	2.0
525.23322	1.7
535.28870	16.0
535.36707	0.9
607.31226	1.1
691.40027	0.8
693.05054	0.6
758.53735	0.6
829.50800	100.0
830.51062	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	829.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05020	1.1
60.45055	0.7
61.02924	5.3
67.05508	5.8
68.78719	0.7
69.03433	3.6
69.07085	3.0
71.01363	0.7
71.05011	2.1
71.54870	0.7
73.02927	4.3
78.22459	0.6
79.05502	5.3
79.64028	0.8
81.03421	6.9
81.07067	6.2
83.08649	2.7
85.02915	7.6
87.04480	0.9
91.03979	2.8
91.05482	4.7
93.07064	4.4
95.04996	2.7
95.08604	3.5
97.02910	5.4
97.06525	0.9
97.10180	1.5
99.04446	1.2
99.97601	0.7
101.02399	2.2
102.93564	0.7
105.07040	3.5
107.05029	1.1
107.08630	2.2
109.02929	0.9
109.06551	1.3
109.10173	3.3
111.08133	1.1
116.00993	0.7
117.07043	1.0
119.08621	2.5
121.10185	2.2
125.09663	1.4
126.58701	0.7
127.03960	1.8
129.07031	1.3
131.08594	1.7
133.10242	1.2
137.09644	0.9
145.10153	0.8
147.11682	1.5
149.09657	2.8
151.17871	0.7
157.10199	1.2
175.11298	1.0
193.12341	2.2
203.05357	1.2
207.07355	0.7
225.14943	0.8
243.08427	4.6
264.41360	0.9
267.09100	0.8
267.16037	1.6
283.15363	2.9
351.21564	2.3
371.71954	0.8
407.23950	1.0
410.60849	0.8
413.17950	0.9
441.21198	0.9
469.20746	0.8
487.21530	0.9
501.16064	1.5
501.23007	13.5
569.29352	9.8
739.38885	1.8
816.03979	1.0
829.45734	100.0
830.45953	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	827.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.9
67.05509	6.1
69.03437	4.2
69.07066	2.2
69.84316	0.4
70.78693	0.7
71.04994	0.5
73.02921	3.6
79.05493	3.9
81.03416	2.0
81.07071	5.2
83.04984	0.7
83.08624	1.0
85.02908	4.4
87.51919	0.4
91.03972	2.9
91.05483	2.8
93.07040	4.0
95.05007	0.6
95.08619	3.5
97.02910	4.9
97.06554	0.5
97.10184	0.8
99.04472	1.2
101.02386	1.9
105.07064	1.5
107.08603	2.1
109.02890	0.6
109.06570	0.4
109.10176	1.5
115.03985	0.7
117.07037	0.8
119.08614	0.9
121.10167	1.3
125.09656	0.8
127.03938	1.6
131.08563	0.6
133.10197	0.7
135.11757	1.0
141.30719	0.4
145.10135	0.5
147.11748	0.5
149.13269	0.6
185.04225	0.8
197.17226	0.3
203.27434	0.4
223.13469	0.5
243.08499	2.7
243.11003	0.5
275.10684	0.4
291.19626	0.8
315.63287	0.5
331.18716	1.9
335.25986	0.9
351.87875	0.4
446.16919	0.4
519.29333	11.1
549.26733	2.8
612.46960	0.7
827.49170	100.0
828.49426	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	827.4921
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	5.4
67.05512	13.4
69.03437	4.0
69.07064	3.5
69.20068	7.4
71.01346	0.9
71.04984	1.0
73.02930	4.7
79.05505	6.4
81.03438	2.4
81.07066	11.6
82.07410	0.8
83.04990	1.3
83.08633	1.3
85.02914	7.1
87.60551	0.7
91.03963	4.0
91.05483	6.1
93.07047	7.9
94.07362	0.9
95.04985	1.9
95.08621	8.0
97.02901	7.2
97.06560	1.0
99.04474	0.8
99.08129	0.7
101.02399	2.1
105.07035	4.0
107.08618	5.0
109.02885	1.4
109.10189	3.0
111.08159	0.9
117.07076	1.2
119.08623	2.6
121.10161	2.8
123.08145	0.8
127.03944	1.9
131.08609	2.3
133.10156	2.6
135.11729	1.4
145.10147	1.6
147.11784	1.2
149.09650	0.9
149.13255	1.0
159.11766	0.8
161.13358	0.8
183.08080	0.7
184.07472	0.9
185.04311	0.8
196.32672	0.8
243.08540	1.9
267.15961	0.7
269.17523	0.8
275.20108	0.8
282.72708	0.7
313.18127	0.8
331.18747	5.6
335.25961	1.2
337.27380	2.8
338.27921	1.4
517.39166	0.8
518.39532	1.3
519.29413	10.3
531.25903	1.1
531.40411	1.2
532.41034	2.2
549.27014	1.6
612.47144	1.4
729.41937	3.2
758.42444	1.0
809.47968	13.2
827.49194	100.0
828.49872	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	4.9
65.03944	0.6
67.05506	6.6
69.03436	3.4
69.07062	1.4
69.17253	3.2
69.17545	0.3
71.01347	0.6
71.04993	0.4
73.02921	4.4
73.67062	0.3
78.02953	0.3
79.05497	4.4
81.03423	1.4
81.07059	5.7
83.01407	0.3
83.08610	0.6
85.02912	5.7
85.06548	0.9
87.04472	0.4
87.72534	0.3
91.03962	3.3
91.05478	3.3
93.07053	5.2
95.04964	1.9
95.08613	4.6
97.02908	4.7
97.06532	0.3
97.10185	0.3
99.04478	0.9
101.02394	1.7
103.03951	0.6
105.07028	1.8
107.04987	0.4
107.08604	2.2
109.02843	0.8
109.06548	1.1
109.10149	1.9
113.06024	1.6
115.03960	0.5
117.07044	1.1
119.08571	1.5
121.10139	1.6
123.11752	0.6
127.03933	1.7
129.07030	0.8
131.08594	1.3
133.10170	1.0
135.08064	0.6
135.11746	0.8
145.10153	0.8
147.11629	0.3
149.09630	0.3
149.13293	0.5
154.19318	0.3
159.11890	0.4
161.13223	0.3
173.13274	0.4
179.18776	0.3
184.07439	0.4
185.04192	0.6
203.05298	0.6
229.14363	0.3
243.08440	2.6
277.97266	0.3
331.18799	6.5
331.22668	0.4
335.25970	0.6
387.21652	0.4
473.28094	0.4
519.29297	8.7
520.30090	0.4
549.26691	3.9
773.46936	0.3
827.49188	100.0
828.49573	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	827.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	4.5
67.05508	4.8
67.43559	0.5
69.03422	3.0
69.07068	2.7
69.58772	2.6
73.02921	2.8
75.02681	0.4
79.05505	4.0
81.03425	1.4
81.07066	4.4
83.08620	0.8
85.02913	5.1
91.03964	1.9
91.05489	4.4
93.07040	5.1
95.05009	0.7
95.08602	4.7
97.02898	3.5
97.06571	0.6
97.10249	0.4
99.04466	0.6
100.07482	0.5
100.13902	0.4
101.02400	1.5
105.07027	4.6
107.04977	0.9
107.08601	2.7
109.02887	0.5
109.06497	0.5
109.10165	2.1
117.07030	1.1
119.08579	3.4
121.10156	1.4
123.08022	0.5
127.03932	1.4
129.07027	0.8
131.08572	1.7
133.10156	2.0
135.11713	0.6
143.08617	0.5
145.10129	0.8
147.11716	1.1
149.09633	0.7
149.13245	0.7
159.11716	1.0
161.13307	0.4
173.11853	0.5
184.07323	0.7
185.04230	0.6
229.14436	1.3
230.14610	0.5
243.08469	3.0
259.21082	0.5
301.08878	1.0
313.08917	0.6
313.27448	1.0
314.27780	0.8
315.10645	0.8
315.19293	3.8
371.21759	0.9
373.11121	0.5
467.37518	0.9
468.37625	1.3
495.22253	1.0
533.27197	8.8
535.28674	6.3
605.29395	1.3
619.30707	0.5
634.65497	0.5
675.35925	0.6
827.49164	100.0
828.49292	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	827.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	7.1
65.03957	0.5
67.05515	8.5
69.03438	3.5
69.07070	1.7
71.08640	0.7
73.02920	4.6
79.05502	4.3
81.03436	1.1
81.07060	6.4
83.08633	0.9
85.02906	6.6
85.10217	0.5
86.09766	0.5
91.03965	3.4
91.05482	3.8
93.07047	5.1
95.08617	4.3
97.02905	5.4
101.02410	1.7
103.03992	0.5
105.07053	2.5
107.08583	2.5
109.02951	0.5
109.06536	0.4
109.10149	3.7
110.10526	0.5
115.03986	0.8
115.05443	0.5
117.07056	1.0
119.08620	1.9
121.10161	1.6
122.58644	0.4
124.98517	0.5
127.03943	1.4
131.08609	1.8
133.10155	0.9
135.11725	0.8
137.70665	0.5
143.08623	0.9
145.10167	1.5
147.11620	0.5
159.11758	1.0
173.11760	0.6
184.07457	0.6
185.04309	0.9
203.05333	0.6
206.01816	0.5
229.14357	3.1
230.14812	1.1
232.34413	0.5
243.08417	2.3
296.51770	0.5
313.27444	1.8
314.27765	1.8
331.18829	8.8
335.25824	1.0
413.18005	0.8
467.37521	1.0
468.37903	2.1
519.29205	6.2
520.30615	0.6
528.17273	0.5
549.26752	2.5
560.49255	0.6
827.49207	100.0
828.49542	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	827.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11503	0.5
59.04992	0.7
61.02928	3.7
65.03962	0.6
67.05517	4.3
69.03445	3.3
69.07088	2.4
71.05000	2.5
71.54929	0.7
71.55359	0.6
73.02931	3.7
79.05496	5.0
81.03419	5.1
81.07063	5.4
83.04987	1.5
83.08643	1.4
85.02919	4.9
85.06571	0.8
91.03947	2.5
91.05485	5.0
93.07059	3.3
95.04986	2.3
95.08614	1.7
96.59940	0.6
97.02896	5.4
97.06558	1.8
97.10165	1.2
97.27541	0.5
99.04477	0.9
101.02397	1.9
102.92384	0.5
105.07066	2.8
107.08609	2.1
109.02881	1.3
109.06558	0.9
109.10175	0.7
111.04436	0.7
111.07272	0.5
111.08079	1.1
117.07058	0.8
118.50574	0.4
119.08639	2.8
121.06557	0.5
121.10175	2.5
123.08127	1.4
125.09663	1.2
127.03925	1.4
129.07048	1.0
131.08592	2.0
133.06485	0.7
133.10155	1.4
135.11688	0.6
143.79938	0.5
143.95517	0.5
145.10138	1.1
147.11720	1.7
149.09671	2.3
157.10205	1.3
175.11203	1.4
181.12291	0.5
184.07408	0.8
185.04276	1.0
193.12317	1.6
243.08450	3.6
267.08978	0.7
267.15970	0.8
269.12399	0.6
283.15186	3.3
301.09247	0.9
314.81586	0.5
339.17844	0.6
349.19839	3.1
381.19193	0.6
405.22598	0.9
453.21014	1.0
469.20169	0.6
497.20090	0.6
501.23050	13.3
529.22229	0.7
567.27777	7.6
573.25269	1.8
656.30658	0.6
711.35010	0.6
717.52258	0.5
827.43945	100.0
828.44135	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	826.5676
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.9
62.13568	2.2
65.03954	5.5
65.67580	2.1
67.05511	93.4
68.05836	2.4
69.03431	8.8
69.07070	30.7
71.04990	4.8
71.08631	5.9
71.54863	3.6
73.02927	3.5
75.80308	2.4
76.49084	2.5
77.03967	2.8
79.05069	3.3
79.05500	54.8
80.05854	2.4
81.03421	13.3
81.07065	100.0
83.04974	10.1
83.08622	19.0
85.02910	8.9
85.06546	5.6
86.09696	10.6
91.05488	49.4
93.07053	70.0
95.04990	5.1
95.08614	63.9
97.02887	9.8
97.06568	11.3
97.10176	11.8
99.08103	6.0
103.39664	2.3
105.06399	3.6
105.07039	43.5
106.07337	2.8
107.04974	5.0
107.08611	40.3
109.02897	2.9
109.06503	6.2
109.10166	29.4
111.02709	2.4
111.08069	4.0
113.12834	2.5
117.07034	15.7
119.08595	28.9
121.06528	2.5
121.10165	25.6
123.08049	4.3
123.11700	7.5
124.99988	6.9
125.09652	8.9
127.03889	3.7
129.06992	8.9
130.07834	2.9
131.08577	24.0
133.10161	22.3
135.08105	4.4
135.11697	18.8
137.09525	2.2
141.07022	2.8
143.08548	10.4
145.10124	19.9
147.11705	17.7
149.09674	6.1
149.13257	10.5
151.11177	8.4
157.10159	9.2
159.11664	20.0
159.63298	2.2
161.09682	3.0
161.13249	10.8
163.11229	7.4
163.26796	2.2
169.10120	3.0
171.11641	6.4
173.13272	12.4
176.02939	2.3
179.29802	2.2
183.11703	3.4
184.07353	27.5
185.13255	14.2
187.14775	4.4
189.11232	5.7
195.13840	5.3
197.13332	3.2
198.52074	2.3
201.66626	2.8
219.17508	3.5
227.12791	10.2
229.14388	9.3
229.19460	3.1
239.17960	4.4
257.18948	16.0
259.20877	3.5
261.22125	7.1
269.17532	20.9
275.20087	31.3
277.21692	5.3
293.21039	5.1
331.22568	6.4
335.25830	37.1
337.27347	68.8
349.23691	25.5
351.25217	7.7
507.36627	3.2
519.29248	5.1
529.38928	40.6
530.39343	5.8
593.45642	2.9
611.46722	50.6
612.46674	2.8
629.47266	9.1
636.43353	2.9
827.49139	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	826.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	2.8
61.02937	8.9
65.03931	1.2
67.05510	59.2
69.03429	1.8
69.07066	5.4
71.04987	2.1
71.08640	14.9
73.02908	3.1
74.62440	0.5
79.05487	1.3
80.87774	0.5
81.03421	0.9
81.07067	15.3
83.08625	9.4
85.02437	0.8
85.02917	11.4
85.06539	1.8
85.10187	8.2
89.06036	1.2
91.03967	7.2
91.04980	0.5
91.05486	3.7
93.07064	2.5
95.04957	0.5
95.08616	14.8
97.02901	6.3
97.10162	3.0
98.20712	1.0
99.04458	0.8
99.08097	0.9
107.08598	1.7
109.02837	0.6
109.10165	64.0
110.10509	0.7
111.08084	2.2
119.08572	3.6
123.11691	2.0
127.03919	2.9
137.09615	3.0
137.13312	1.0
145.04933	2.9
155.10698	5.0
163.06023	4.3
173.11752	17.5
178.52420	0.6
178.77292	0.5
184.07306	0.8
229.14372	100.0
230.14706	1.8
239.23744	1.6
257.24789	1.6
279.92874	0.6
313.27383	75.5
314.27701	1.7
373.18536	0.6
467.37384	65.5
468.37338	2.5
696.14008	0.6
826.47430	2.0
827.48254	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53045	2.2
61.02919	4.6
65.03916	4.4
66.42753	2.6
67.05512	100.0
69.03419	6.7
69.06734	3.0
69.07078	39.4
69.51392	2.5
71.04996	5.4
71.54524	2.6
71.54918	3.7
73.02937	3.1
79.05506	49.4
81.03416	10.2
81.07066	99.6
81.56087	2.5
82.07460	3.2
83.04986	7.8
83.08640	19.0
85.02905	6.2
85.06524	4.1
86.09678	3.2
90.00346	2.5
91.05477	41.8
93.07056	53.8
95.04961	8.0
95.08612	59.4
95.32156	2.8
97.02903	5.9
97.06522	9.6
97.10169	6.8
105.07044	26.6
107.04974	4.4
107.08620	37.5
109.06497	3.9
109.10170	24.6
111.08085	6.0
115.05471	2.7
115.97179	2.8
117.07063	12.2
119.08588	21.5
121.06462	3.1
121.10146	22.0
123.08104	3.7
123.11695	7.2
125.00018	3.3
125.09598	3.8
127.03960	5.1
129.06993	6.4
131.08594	13.9
133.10118	18.5
135.08011	4.5
135.11728	13.5
137.09563	3.2
137.13258	3.1
143.08607	5.4
145.10115	11.6
147.11667	9.8
149.09592	5.6
149.13243	10.1
157.10100	5.4
159.11708	11.1
161.13232	6.4
163.11113	3.9
163.14905	2.8
169.10042	3.3
173.13237	4.9
175.14845	3.0
184.07333	16.3
195.13823	4.7
255.15868	9.9
257.19012	7.0
263.23914	3.6
269.17468	27.9
275.20074	18.9
280.54352	2.7
293.20944	9.3
294.21417	3.0
331.22531	3.3
335.25818	6.2
336.26340	2.8
337.27380	92.8
338.27411	3.5
349.23691	15.3
351.25357	2.6
367.25003	4.1
375.31332	2.6
421.82349	2.4
423.67926	2.5
517.39111	18.8
531.31964	3.6
531.40399	66.4
571.43610	6.8
611.46716	16.7
629.47375	5.1
827.48956	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	825.4765
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	4.6
65.03956	0.8
65.49806	0.7
67.05513	8.1
67.26212	0.7
69.03434	2.7
69.07077	5.8
71.04974	0.7
71.08631	0.7
71.55215	0.7
73.02930	2.8
73.27006	0.7
79.05505	5.1
81.03415	2.7
81.07079	6.4
81.56403	0.8
83.04988	0.9
83.08622	0.7
85.02914	3.5
91.03965	2.2
91.05493	5.7
93.07046	4.4
95.01358	1.1
95.04970	1.8
95.08627	4.8
97.02922	4.0
97.06509	1.3
105.07038	5.2
107.05018	1.7
107.08602	2.2
109.10178	6.1
117.06945	1.6
119.08626	3.8
121.10167	1.5
123.08076	1.0
131.08624	3.0
133.10153	4.1
135.11737	1.1
145.10153	1.3
147.11713	1.7
149.09694	1.4
151.63081	0.6
159.11765	1.5
161.13324	0.8
173.11855	0.7
179.14378	1.6
184.07425	1.0
229.14323	5.8
243.08472	3.2
275.20111	1.2
313.27402	4.6
315.19290	6.1
371.22134	2.1
467.37344	4.1
533.27167	17.2
534.27423	1.2
704.58197	1.1
729.48328	0.8
825.47614	100.0
826.48083	9.2
857.81763	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	3.3
61.02700	0.7
61.02942	8.6
67.05514	57.8
69.03423	2.6
69.07069	5.4
71.04999	1.9
71.08286	1.3
71.08646	15.9
71.55721	1.5
73.02924	3.4
79.05501	1.6
81.03442	1.2
81.07072	15.7
83.08643	8.9
85.02919	10.6
85.06573	2.1
85.10197	9.4
86.09731	2.4
89.06039	1.6
91.03967	9.0
91.05481	3.2
93.07048	3.7
95.08620	15.7
97.02896	7.0
97.10174	4.1
99.11679	0.9
105.07081	1.0
107.08612	1.5
109.10173	68.1
111.08083	1.8
113.68275	0.8
119.08602	4.4
123.11681	2.1
127.03916	2.5
137.09624	2.5
145.04953	2.2
145.10176	1.0
155.10750	4.4
163.06013	4.3
173.11758	17.1
184.07466	4.6
229.14384	84.1
230.14780	1.6
239.23683	1.8
245.87323	1.0
313.27411	78.7
314.27692	2.4
387.66272	0.9
467.37411	100.0
468.37628	3.7
489.94629	1.1
826.47729	3.3
827.49084	2.8
838.84857	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92762	0.5
61.02932	6.0
65.03937	1.4
65.74690	0.5
67.05510	19.5
68.05840	1.8
69.03439	3.8
69.07066	5.4
70.79126	1.1
71.01363	1.0
71.04990	1.2
73.02936	4.0
79.05497	17.0
80.05839	1.5
81.03416	2.1
81.07065	15.7
82.07406	1.9
83.04997	1.2
83.08627	5.3
84.08939	0.7
85.02912	5.5
85.06548	0.7
91.03961	2.9
91.05493	10.9
92.05835	1.4
93.07050	13.5
94.07383	1.8
95.04981	1.3
95.08617	10.7
96.08956	1.0
97.02905	5.7
97.06565	1.5
97.10175	7.3
98.10527	0.6
99.04481	0.5
101.02374	1.7
103.03976	0.7
104.75916	0.5
105.07038	6.9
106.07378	1.0
107.04955	0.9
107.07890	0.8
107.08604	12.4
107.09303	0.9
108.08945	2.2
109.02917	1.0
109.06540	1.4
109.10173	4.1
111.08124	0.8
115.03986	0.6
117.07058	2.3
119.08602	4.9
121.06489	0.7
121.10165	4.3
123.08069	0.9
123.11713	1.0
125.09643	5.7
126.09978	0.9
127.03944	1.9
129.06999	1.5
131.08603	3.4
133.10110	4.0
135.08076	1.4
135.11703	3.2
141.06982	0.7
143.08562	1.2
145.05002	0.6
145.10123	3.7
146.10472	0.8
147.08028	0.7
147.11731	2.5
149.09647	0.9
149.13289	0.9
151.68430	0.6
153.09099	0.6
156.70497	0.5
159.08072	0.6
159.11732	1.6
160.12010	0.7
161.13240	1.3
163.07582	0.8
163.14920	0.6
171.10262	0.5
171.11765	0.8
173.13283	1.3
179.19412	0.6
185.04221	0.8
187.14893	0.7
189.11249	3.0
203.14464	0.7
204.80606	0.5
227.12773	4.6
228.13188	1.9
231.90755	0.8
239.17981	0.7
243.08472	1.7
257.19058	1.2
260.21106	0.5
261.22247	1.8
262.22516	1.0
275.20151	3.7
276.20496	2.2
329.17258	14.1
329.21173	0.7
332.23126	0.7
335.25888	9.5
336.26205	6.7
349.23767	3.9
350.24039	3.0
385.20203	0.6
454.12317	0.6
505.35718	0.8
506.35959	1.8
519.29590	4.3
547.25452	3.2
569.96783	0.7
609.45447	2.8
610.45404	13.0
628.46661	1.9
823.98468	0.7
825.47589	100.0
826.47821	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	825.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	5.1
65.03933	0.6
67.05507	11.2
69.03429	4.1
69.07066	3.5
69.29765	1.4
69.30185	2.6
71.04989	1.0
73.02924	4.0
77.93460	0.4
79.05495	8.3
80.05832	0.7
81.03424	1.8
81.07057	9.0
82.07397	0.5
83.04996	0.8
83.08626	1.5
85.02913	5.7
91.03981	3.3
91.05479	6.2
93.07045	9.1
94.07393	0.9
95.04958	0.8
95.08604	6.7
97.02896	6.1
97.06547	1.3
97.10173	2.1
99.04481	0.9
101.02388	1.7
105.07043	3.7
106.07356	0.5
107.04997	0.5
107.08598	7.1
108.08938	0.6
109.02898	1.6
109.06541	0.7
109.10168	3.5
111.08070	0.5
117.07034	2.2
119.08598	3.2
121.10143	3.5
122.29318	0.4
123.08098	0.6
123.11702	0.6
125.09662	1.9
127.03943	1.9
129.07059	0.6
131.08580	2.0
133.10136	2.0
134.10463	0.5
135.08057	0.6
135.11667	2.5
143.08580	0.5
145.05014	0.7
145.10086	2.6
147.11673	1.1
149.09630	0.7
149.13261	1.0
159.11766	1.4
161.13303	0.7
163.11259	0.6
173.13286	0.9
185.04195	0.8
189.11293	0.7
203.05168	0.5
227.12906	1.0
243.08423	1.7
261.22247	0.6
275.20193	2.0
276.20581	1.1
289.18106	0.6
299.16214	0.7
301.09204	0.5
329.17224	17.7
335.25769	4.2
336.26190	3.6
349.23868	1.9
350.24170	1.3
385.19888	0.9
399.93411	0.4
519.29382	4.6
547.25275	2.8
609.45221	1.1
610.45477	4.7
628.47021	0.8
825.47552	100.0
826.47766	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	824.5522
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02940	5.4
61.89854	4.5
67.05508	65.3
69.07055	22.5
70.60774	4.5
71.04984	6.0
71.48936	5.4
76.21028	5.2
79.05497	58.3
81.07064	59.7
83.08610	7.7
91.05492	68.9
93.07041	51.3
95.04967	5.4
95.08614	43.2
97.10094	5.4
105.07022	63.9
107.08604	40.4
109.10153	19.5
117.07063	29.0
119.08588	45.9
121.10155	19.3
129.07016	16.8
131.08569	38.4
133.10143	35.7
135.11694	16.8
141.07014	7.1
143.08551	19.8
145.10146	35.1
147.11685	22.2
149.13182	7.3
155.08536	9.3
157.10123	20.3
159.11705	23.5
161.13243	10.6
169.10115	14.3
171.11662	17.0
173.13263	11.6
181.10069	6.0
183.11676	14.1
184.07272	9.2
185.13222	11.5
195.11703	9.4
197.13196	7.3
199.14830	8.7
209.13242	8.1
211.14748	6.9
213.16458	6.0
237.16360	7.6
333.24136	10.1
335.25778	7.9
355.07944	5.2
458.96860	5.8
517.40375	18.4
591.43384	8.2
609.45270	100.0
651.05133	5.5
722.94946	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51751	1.4
61.02917	5.2
63.31044	1.2
65.22523	1.4
67.05508	8.3
69.03423	4.6
69.07054	2.8
71.04992	2.2
71.55817	1.4
73.02918	5.4
79.05489	6.0
81.03395	5.9
81.07052	5.6
83.08656	2.3
85.02905	6.1
91.03962	2.9
91.05475	5.3
93.07033	4.5
95.04983	2.8
95.08608	3.2
97.02890	5.1
97.06522	2.8
99.04420	1.7
101.02376	3.6
105.07030	4.7
107.08593	2.2
109.06472	1.8
109.10176	2.9
111.08059	1.5
119.08584	3.5
121.10160	2.4
127.03939	2.4
129.06924	2.0
131.08521	1.9
133.10117	3.8
143.92671	1.3
145.10144	1.3
147.11644	1.4
149.09583	3.1
163.11255	1.6
193.12253	1.9
202.48503	1.3
243.08421	3.8
273.28601	1.4
283.15204	2.1
311.11310	1.5
323.49277	1.5
347.21921	2.5
406.83170	1.5
501.23401	10.4
517.20422	2.7
549.26337	2.6
565.30200	6.4
630.53461	1.4
655.27417	4.4
721.37640	25.4
807.39532	3.8
825.45776	100.0
826.43866	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	824.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	2.3
65.03925	5.6
67.05509	88.8
69.03434	9.2
69.07074	30.2
69.18381	7.6
69.18815	8.8
71.01340	1.5
71.04989	6.0
72.17611	1.4
79.05499	68.0
81.03421	12.4
81.07060	97.6
82.07367	1.7
83.04982	10.4
83.08619	12.7
85.02901	5.2
85.06547	3.4
90.62196	1.8
91.05489	47.9
93.07047	75.7
95.04966	10.3
95.08617	52.1
97.02896	3.7
97.06541	11.4
97.10151	5.3
99.08089	2.6
103.55424	1.6
105.04521	2.9
105.07036	30.2
107.04946	6.7
107.08603	43.4
109.06498	5.4
109.10153	19.4
111.08086	5.0
112.56017	1.4
115.05437	2.3
117.07022	16.0
119.08583	25.8
121.06501	2.7
121.10159	25.5
123.08067	4.5
123.11733	8.1
125.09634	3.7
129.05510	1.9
129.06981	6.4
131.08583	22.2
133.06516	2.0
133.10133	23.6
135.08070	4.5
135.11685	19.7
137.09674	2.1
139.11157	1.7
143.08582	4.4
145.10136	17.5
147.07985	1.6
147.11702	13.4
149.09637	8.7
149.13310	12.7
151.11093	2.9
154.95837	1.4
157.10123	5.5
159.11673	18.3
161.13252	6.9
163.11198	8.3
163.14879	2.3
169.10132	2.6
171.11710	4.4
173.04401	1.8
173.13303	9.3
175.14851	2.0
177.12701	5.4
179.14319	2.7
183.11613	2.1
185.13412	2.4
187.14769	2.8
189.16548	1.9
195.11862	1.8
195.13759	5.3
197.13187	2.3
199.14804	2.0
218.82176	1.5
227.12859	3.1
233.15111	1.8
239.17949	3.5
243.21060	3.0
255.15965	12.6
257.19034	7.4
259.20505	2.2
261.22174	13.3
267.16135	3.8
269.17511	33.2
275.20059	23.8
293.21161	2.3
317.24640	5.0
323.18338	1.9
331.22714	3.0
333.24228	1.9
335.25815	100.0
336.26013	2.3
349.23755	20.9
367.24826	3.1
413.21249	3.2
515.37219	23.0
529.38928	82.4
530.39368	3.2
569.41815	4.1
609.45178	16.9
627.45947	5.4
673.43274	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	824.552
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	70.4
68.42364	4.8
69.07074	27.9
71.08638	5.3
71.54792	4.5
71.55202	5.7
79.05505	72.3
81.06590	5.5
81.07065	100.0
83.08622	10.5
85.06579	4.3
91.05488	78.5
93.07049	88.6
95.04950	7.8
95.08622	61.0
97.06544	10.2
99.08102	8.9
105.07043	78.7
107.08601	42.1
109.06539	5.2
109.10139	27.4
112.44612	4.6
115.05431	6.0
117.07031	33.0
118.07845	5.7
119.08586	50.2
121.10170	39.6
129.06998	21.5
131.08582	38.9
133.10141	43.1
135.11688	28.2
142.07776	6.2
143.08578	28.9
145.10149	41.4
147.11690	22.5
149.13257	10.7
157.10126	15.3
159.11679	26.9
161.13251	20.5
169.10141	9.2
171.11713	10.9
173.13239	11.0
175.14801	7.9
179.14337	5.6
183.11641	9.1
185.13268	14.4
187.14844	9.5
199.14818	10.6
207.22577	5.1
241.19543	15.9
259.20605	32.0
277.21649	19.4
299.23779	4.9
315.23135	5.5
333.24271	38.7
335.25812	8.4
351.25302	20.4
495.42661	5.7
609.44940	47.8
779.14801	5.4
825.47693	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	822.537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	13.3
67.05505	62.3
68.42667	3.8
69.05836	4.3
69.07060	20.8
70.99342	6.2
70.99698	9.0
79.05505	53.9
81.07061	73.2
83.04999	8.0
83.08613	12.2
91.05487	55.6
93.07056	48.1
95.04948	6.8
95.08609	47.3
97.06543	7.4
97.10114	5.1
98.26992	4.4
105.07034	43.7
107.04926	4.4
107.08607	24.8
108.17989	4.3
109.06516	7.1
109.10179	16.1
115.05445	6.7
117.07012	29.1
119.08588	21.7
121.10173	19.3
123.11671	5.1
128.06245	13.7
129.07008	18.0
130.50580	4.5
131.08580	62.0
133.06567	5.6
133.10146	19.9
135.11737	6.4
141.07027	6.5
143.08595	55.5
145.10135	49.8
147.08052	13.3
147.11705	10.6
149.09700	5.3
149.78841	4.5
157.10155	13.4
159.11739	10.9
161.09641	8.8
161.13330	4.7
163.11212	5.0
169.10120	13.5
171.11661	7.4
173.13223	6.2
183.11725	6.8
185.13300	9.7
195.11868	9.7
237.16414	9.8
245.18976	6.4
255.17535	15.2
273.18484	40.5
289.17935	5.8
335.25815	100.0
336.26175	5.8
347.22101	25.8
356.36691	6.0
359.38907	4.4
395.12540	5.1
607.43640	61.2
625.44159	13.6
640.97479	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	824.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	4.4
65.03929	5.8
67.05509	84.9
69.03426	4.0
69.07072	32.6
69.94088	3.3
69.94495	7.3
71.04979	6.4
79.05499	78.5
81.03407	6.9
81.07060	92.7
83.04978	7.3
83.08622	15.0
85.02898	4.7
85.06539	4.5
91.04906	2.5
91.05486	57.8
93.07046	72.5
95.04979	9.8
95.08066	3.6
95.08620	53.6
97.02897	6.8
97.06550	10.5
97.10184	13.1
99.08095	3.7
103.05492	2.9
105.07039	47.9
107.04980	5.1
107.08601	53.5
109.06520	10.2
109.10171	25.2
111.08061	5.8
112.09036	1.9
113.02335	2.0
115.05450	2.5
117.07023	25.7
119.08582	37.0
121.06493	2.7
121.10154	29.4
123.08092	4.4
123.11681	6.0
125.09621	9.0
127.03910	3.6
129.06995	7.6
130.07784	2.8
131.08572	27.4
133.10138	27.5
135.08107	4.7
135.11700	16.9
137.09628	2.3
137.13321	2.2
138.54599	2.6
141.06999	4.1
143.08574	8.4
145.04915	2.2
145.10112	25.6
147.11696	18.9
149.09647	9.8
149.13272	11.7
151.11154	2.3
155.08498	2.5
157.10152	8.7
159.11700	17.6
161.09630	3.3
161.13188	11.7
163.11185	7.2
163.14751	2.8
165.12794	2.8
169.10138	2.6
171.11687	5.9
173.11893	2.9
173.13275	12.4
173.77924	2.2
175.11241	2.7
177.12808	3.0
183.11653	3.4
185.13292	10.1
187.14816	5.6
189.11230	7.3
195.13940	2.9
197.13266	3.5
201.16321	4.0
203.14340	3.4
209.13329	3.0
227.12837	12.8
229.19406	2.6
239.18018	9.1
255.16002	3.6
257.19046	18.3
259.20526	3.3
261.22186	8.5
269.17468	8.3
275.20053	43.9
293.21118	5.0
331.22607	3.5
333.24036	2.9
334.81244	2.3
335.25809	100.0
349.23743	37.4
411.65381	2.2
505.34982	5.5
513.40045	2.4
515.37457	6.1
529.38593	13.9
569.41980	2.9
609.45129	52.9
627.45844	7.1
825.47925	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	822.5369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	7.1
61.02937	3.5
65.03938	3.9
67.05178	3.9
67.05508	52.1
69.03426	3.4
69.07074	32.9
69.27311	6.6
69.27733	16.0
71.04967	3.7
73.02929	2.8
79.05070	3.1
79.05502	48.8
79.07587	2.3
81.03429	8.4
81.07059	65.2
83.04985	6.0
83.08610	7.7
85.06556	4.1
89.96350	2.5
91.05494	70.3
93.07050	54.0
95.01328	8.9
95.04965	10.4
95.08067	3.0
95.08617	37.8
97.02805	2.4
97.06530	19.0
97.10166	4.3
105.04539	2.6
105.07038	100.0
107.04970	14.0
107.08616	20.9
109.06564	5.3
109.10146	12.0
111.08105	4.3
115.05476	2.7
117.07024	21.9
117.29298	2.1
119.08584	63.3
121.06487	3.8
121.10154	18.2
123.08055	3.9
123.11729	6.2
125.09637	3.3
129.07025	7.6
130.07738	2.6
131.08582	31.3
133.10143	57.2
135.08109	3.0
135.11664	13.5
137.09624	2.7
143.08563	8.1
145.06386	2.7
145.10123	26.2
147.11699	27.7
149.09615	4.8
149.13226	8.0
155.08597	2.7
157.10106	11.1
159.11720	16.2
159.92552	2.3
161.13280	15.9
163.11313	3.8
171.11656	8.9
173.13283	6.7
175.11237	2.3
175.14757	6.0
177.12776	4.5
179.14302	9.3
183.11720	4.3
185.13272	5.7
187.11172	3.8
187.14862	2.9
197.06877	2.3
209.67145	2.6
241.19617	14.1
257.18985	9.1
259.20630	23.0
275.20099	64.9
293.21063	2.6
315.23206	10.3
333.24286	59.9
334.24591	3.1
349.19757	4.9
349.23776	49.1
351.25586	2.7
607.43567	91.1
608.43481	5.6
625.44446	9.6
691.06696	3.0
724.72131	2.7
822.47369	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	822.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	9.6
57.07066	2.9
58.06632	1.1
61.02924	2.3
63.41728	1.2
65.03936	4.9
67.05510	90.4
69.03416	5.2
69.06727	1.9
69.07072	26.8
71.05013	7.0
77.03907	1.3
79.05502	63.6
81.03428	7.0
81.07063	82.1
83.04991	12.0
83.08627	11.0
85.02859	1.5
85.06530	5.2
91.05486	69.9
93.07052	65.2
95.04976	11.2
95.08614	40.6
97.02852	2.2
97.06542	6.8
97.10157	2.4
98.21516	3.0
99.04455	2.3
103.05485	1.9
105.04498	1.8
105.07043	49.1
106.37687	1.2
106.73371	1.3
107.04957	8.1
107.08602	44.5
109.06535	9.1
109.10165	61.4
111.08111	3.0
113.05999	2.4
115.05470	1.5
117.07027	11.4
119.04987	1.7
119.08592	18.8
121.06539	8.0
121.10148	19.7
123.08044	4.8
123.11707	12.1
127.07568	4.0
128.06259	1.7
129.06996	4.1
131.08586	16.7
133.06517	3.5
133.10141	68.2
135.08054	7.1
135.11685	17.7
137.09590	1.6
137.13213	1.4
139.07578	1.4
143.08569	6.5
144.63319	1.4
145.06538	1.3
145.10115	11.9
147.08028	3.0
147.11714	7.9
149.09616	7.2
149.13281	6.2
151.09987	1.5
151.11197	28.8
155.08577	1.7
157.10133	3.9
159.11679	7.2
161.09666	7.6
161.13251	4.0
163.11243	2.9
163.14839	3.3
169.12259	6.2
171.11662	3.7
173.13284	3.6
175.11194	3.9
175.14793	2.2
177.09193	2.1
177.12788	1.5
179.10606	2.3
184.07309	2.0
185.13293	2.0
187.14859	2.0
189.12704	1.5
199.11105	1.7
201.16385	1.7
201.77403	1.2
209.43777	1.3
213.16458	1.6
215.12746	2.8
243.21022	3.2
245.19041	4.8
251.12698	2.4
253.14380	100.0
254.14670	2.1
255.17554	2.8
259.20483	3.3
261.22122	11.4
263.19998	4.3
273.18509	22.8
277.93524	1.8
291.19537	23.2
309.20740	2.4
317.24847	1.6
333.24268	3.2
335.25839	63.9
336.25995	2.1
347.22208	7.3
363.25256	1.7
365.23273	33.0
457.33170	1.8
513.35968	6.4
531.36810	15.9
607.43365	5.2
625.44684	50.5
626.44641	3.6
676.90295	1.5
772.86877	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	10.0
57.07077	2.4
58.47836	1.0
59.05006	1.1
61.02948	1.1
65.03944	2.8
67.05508	63.3
69.03436	10.4
69.07073	33.5
70.79552	2.4
71.05015	1.3
72.31767	0.9
73.40702	1.0
79.05498	52.6
81.03416	4.7
81.07063	56.8
81.12877	0.9
83.04978	4.6
83.08623	10.5
85.02909	1.8
85.06580	1.6
91.05489	31.2
93.07050	49.5
95.04972	9.3
95.08611	40.7
97.02905	9.7
97.06524	4.6
97.10184	13.4
99.08105	1.1
103.05463	1.0
105.04556	1.8
105.07037	21.7
105.07689	1.9
107.04978	6.7
107.08607	25.0
109.06519	3.4
109.10159	15.1
111.08041	1.1
117.07027	10.3
119.05000	1.2
119.08587	18.1
121.06509	3.4
121.10163	14.6
123.08067	3.9
123.11716	4.3
125.09631	8.9
128.06256	1.1
129.07028	3.6
131.08571	11.4
133.06500	3.8
133.10149	11.5
135.08093	4.3
135.11716	8.4
137.09656	2.3
143.08589	4.0
145.06464	1.8
145.10152	9.4
147.08058	4.5
147.11699	6.4
149.09630	2.4
149.13283	5.8
153.09166	1.3
157.10164	3.6
159.11696	6.1
161.09621	2.9
161.13243	3.4
163.11177	1.8
163.14810	1.2
171.11700	2.5
173.13289	2.9
175.11195	2.4
177.12740	1.1
184.07350	1.2
187.14822	2.0
189.11232	4.4
196.90715	1.0
205.12263	3.2
211.13309	1.4
223.13310	16.6
227.12807	3.1
227.17964	1.2
234.26335	1.0
243.21114	2.5
249.14894	3.2
255.17540	2.3
261.22150	8.8
273.18546	10.6
291.19562	100.0
292.19778	2.1
317.24817	3.9
335.25821	93.9
336.26120	3.2
347.22147	2.9
365.23242	45.8
433.96082	1.1
545.38336	3.1
607.43750	1.6
625.44653	87.9
626.45190	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	822.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	17.1
59.05005	1.9
61.02922	5.2
65.03944	3.6
67.05509	63.3
69.03436	8.9
69.07071	27.1
70.78470	3.2
70.78788	2.0
71.05001	9.4
73.02929	2.6
79.05500	66.0
81.03422	100.0
81.07063	86.9
82.07433	2.0
83.04982	20.1
83.08619	37.2
83.09110	2.2
85.02916	8.7
85.06551	5.2
88.56517	1.7
91.05487	51.5
93.07049	48.6
95.04977	43.3
95.08613	26.9
97.02892	4.8
97.06528	17.5
97.10172	29.2
99.04475	2.5
99.08118	2.9
103.05450	2.4
105.07042	34.7
107.04970	19.9
107.08607	32.1
109.06522	17.5
109.10162	16.1
111.04481	14.5
111.08085	15.3
113.06022	1.6
115.05453	4.5
117.07020	16.9
119.04900	3.4
119.08588	41.7
121.06503	12.4
121.10146	22.5
123.04360	1.8
123.08070	23.9
123.11697	2.2
124.04868	1.8
125.09633	24.3
127.03896	1.8
128.06250	3.2
129.07022	17.7
131.08568	29.4
133.06500	7.7
133.10141	18.0
135.08084	11.6
135.11707	13.1
137.09607	7.3
139.11195	3.0
141.07001	3.3
142.07800	4.3
143.08595	8.4
145.06470	3.9
145.10132	15.3
147.08061	12.9
147.11725	12.3
149.09624	13.3
149.13258	8.5
151.11150	3.0
153.09129	6.3
153.12753	6.9
155.08588	3.2
157.06454	2.5
157.10162	17.3
159.08087	5.4
159.11751	6.0
161.09679	8.2
163.11209	18.9
165.09116	2.5
169.10152	3.5
171.10281	2.9
171.11694	5.4
173.09639	6.2
173.11882	2.0
173.13341	3.0
175.11197	13.8
177.12784	7.4
181.12267	5.4
185.13280	3.5
189.11232	18.0
191.10776	5.4
193.12251	26.9
195.11716	4.2
195.13744	2.2
199.11185	3.4
199.14894	2.5
201.12840	2.1
205.12239	2.4
207.13876	1.8
211.13214	3.5
213.12785	2.6
219.13846	7.4
223.13339	4.7
227.12770	16.0
228.57561	1.9
229.14340	4.7
245.19008	2.5
249.14792	2.5
267.15924	89.7
269.17459	10.7
273.14670	1.7
273.15155	2.1
273.18488	29.5
283.15399	3.5
291.19556	45.3
309.20612	10.0
313.21442	2.0
347.22318	7.4
365.23227	24.9
373.24884	1.9
373.83917	1.8
383.24356	21.8
403.24774	3.3
433.25510	2.0
445.29666	4.7
447.27713	7.8
459.27371	3.2
461.28922	3.3
463.30524	43.8
464.30887	2.2
465.29865	5.8
483.31100	7.5
501.31836	2.0
521.32275	4.0
539.33813	20.9
557.34772	95.8
558.35333	5.2
575.35785	55.8
607.34772	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	822.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	17.3
57.07083	2.7
59.04993	10.8
61.02920	3.6
65.03938	4.9
66.06241	2.2
67.05513	100.0
69.03429	9.0
69.07073	40.2
71.01357	2.6
71.04994	9.9
71.15698	4.3
71.27350	2.0
73.02924	3.9
78.44076	2.3
79.05064	4.7
79.05498	57.3
81.03425	75.9
81.07063	69.5
83.04998	12.5
83.08631	26.6
85.02919	7.2
85.06541	5.2
87.04472	6.9
91.05488	65.0
93.07051	53.5
95.04980	36.0
95.08614	33.8
97.02880	8.9
97.06522	13.8
97.10186	14.4
99.04436	6.1
105.07038	41.3
107.04957	16.1
107.08611	31.3
109.06531	8.3
109.10165	48.2
111.04460	7.6
111.08092	14.2
115.05423	2.6
117.07052	15.6
119.04931	2.5
119.08593	38.6
121.06493	9.1
121.10143	20.8
123.08073	8.8
123.11712	4.4
124.92856	2.4
125.09631	10.0
128.06229	3.1
129.05504	3.6
129.07059	13.9
131.08575	21.9
133.06483	4.7
133.10146	22.0
135.08069	4.9
135.11662	13.8
137.09631	14.0
140.05229	2.8
141.06950	2.5
142.07841	2.7
143.08493	4.1
145.06487	2.9
145.10159	14.0
147.08060	6.8
147.11697	11.5
149.09637	22.8
149.13293	5.1
151.11224	4.6
155.08575	3.5
155.10713	4.1
157.10135	14.6
158.79277	2.3
159.11649	5.6
161.09534	3.9
161.13283	3.8
163.11163	16.3
165.12686	3.8
166.06384	2.5
169.10104	2.6
171.11708	4.9
173.04469	2.9
173.11752	17.4
173.13252	6.2
175.11110	11.1
177.12798	3.1
181.12248	2.9
183.11668	3.7
185.13190	2.9
189.11223	6.3
189.12827	3.1
191.10695	4.6
193.12280	28.8
199.13246	3.7
211.13281	5.0
225.14880	4.6
227.12785	10.1
229.14359	37.4
249.14813	3.8
255.15897	3.4
257.19080	3.9
259.15320	3.0
267.15967	71.9
268.16226	3.5
269.17511	5.9
275.20093	16.2
283.15494	2.7
291.19452	5.4
301.16553	4.1
329.20895	2.3
349.23837	17.5
355.22440	3.8
393.26544	2.6
403.24771	3.4
410.62097	2.5
421.25876	26.8
423.27332	7.6
429.26450	3.6
435.27536	6.5
447.27347	17.9
459.27634	3.2
461.28998	3.1
503.33893	3.2
509.29770	2.6
521.34705	3.0
541.35498	25.8
557.34174	2.6
559.36438	7.5
702.94867	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.7
61.02933	5.2
63.60133	0.5
65.03929	1.0
67.05509	26.4
69.03427	2.1
69.07073	8.7
69.76003	3.0
71.05004	2.5
73.02912	1.6
73.12327	0.4
76.55087	0.5
78.67179	0.5
79.05496	18.6
81.03419	6.0
81.07062	34.3
82.07355	0.8
83.05004	3.1
83.08156	0.7
83.08627	9.6
85.02907	5.8
85.06551	1.5
88.25266	0.6
91.03963	3.1
91.05490	12.8
92.05949	0.6
93.07050	23.8
95.04552	0.4
95.04986	4.7
95.08617	11.3
97.02895	4.0
97.06542	5.2
97.10165	2.1
99.04506	0.8
99.08095	1.1
105.07042	6.7
107.04949	1.4
107.08597	15.8
107.09300	1.1
109.02841	0.5
109.06524	1.6
109.10174	3.6
111.04433	0.5
111.08064	3.0
113.77589	0.5
117.07027	5.7
119.08578	4.5
121.06502	1.6
121.10156	8.5
123.08105	1.4
123.11717	2.4
125.09615	1.4
127.03915	1.4
129.05504	0.6
129.07019	2.7
131.08574	7.3
133.10135	6.9
135.08054	1.7
135.11713	5.2
139.07634	0.6
141.06866	0.7
143.08574	1.4
145.04958	1.2
145.10121	2.9
147.08070	0.5
147.11700	2.3
149.09654	1.5
149.13269	10.3
151.11186	1.3
153.09111	0.5
155.08566	1.2
157.10118	2.4
159.11722	5.6
161.09624	1.0
163.06046	1.7
167.08640	0.6
169.10123	1.1
171.11684	1.0
173.13239	0.7
175.11176	0.8
177.12695	2.7
185.13333	0.7
189.11232	0.7
193.12413	0.6
195.13815	6.1
197.13353	0.6
213.14822	0.7
227.12735	1.0
239.18086	0.5
251.16492	2.1
259.17264	0.6
267.15829	3.8
269.17493	19.9
270.17599	0.7
273.18491	0.7
291.19641	1.6
335.23706	0.6
353.24844	1.9
365.23291	1.0
371.25974	1.8
383.24274	1.3
389.26636	1.4
413.21710	1.0
427.28604	1.0
445.29492	14.7
463.30582	100.0
464.31110	3.4
539.33600	1.2
557.34772	3.4
575.35785	1.6
589.33795	1.0
607.34869	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	820.5926
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	56.0
71.54636	29.6
75.81047	24.4
81.07043	75.4
93.07021	52.9
95.08621	33.4
110.72401	27.5
116.22018	24.5
120.88765	31.5
133.10199	33.6
145.10104	34.3
172.67934	27.5
205.45042	30.5
327.62732	25.1
335.25763	100.0
479.81223	29.6
483.26227	32.4
540.84381	31.9
595.46936	39.6
622.48810	29.7
706.28369	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	820.5211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	5.5
57.07071	1.7
59.04995	0.9
65.03941	2.2
67.05510	46.0
67.49744	1.0
69.03426	5.7
69.07063	11.6
77.03906	1.0
79.05494	46.5
81.03414	1.4
81.07061	40.0
82.61732	1.2
83.04980	4.4
83.08620	27.4
85.02901	1.8
85.06556	2.6
85.16624	1.1
86.09703	1.3
91.05486	44.1
93.07047	32.8
95.05024	2.1
95.08610	18.4
97.06516	2.4
97.10177	61.7
100.11240	1.0
101.07167	1.1
103.05443	1.5
104.06203	1.9
105.07034	11.3
106.93223	1.1
107.04980	2.1
107.08604	31.8
109.06544	2.6
109.10163	11.5
111.08086	2.9
115.05460	6.0
117.07026	30.2
119.08585	58.3
121.06512	2.8
121.10157	10.7
123.08024	1.3
125.09633	49.5
126.09987	1.3
128.06224	2.2
128.42155	1.0
129.06996	2.4
131.08578	10.4
133.10187	5.4
135.08063	12.5
135.11688	6.2
137.09610	1.3
142.07767	1.4
143.08580	6.1
143.10655	1.4
145.06502	23.3
145.10092	5.4
147.08037	2.7
147.11682	4.0
149.13249	3.8
153.09109	5.0
155.08546	2.5
157.10123	5.5
159.08092	9.9
159.11711	4.4
161.09659	2.4
161.13252	2.3
163.07550	2.2
163.14850	2.3
169.10164	1.7
171.08095	1.2
171.10153	3.8
173.09671	2.2
173.13304	1.8
177.16325	1.1
183.11699	2.2
184.07382	3.1
187.14796	1.8
189.11208	38.2
197.13165	1.7
225.12900	1.2
225.16496	1.7
227.12788	100.0
228.13197	2.1
243.17503	3.0
243.21176	3.0
253.15942	3.4
261.22159	13.0
268.26990	1.2
269.56445	1.4
271.16949	55.3
272.17319	2.1
289.18021	13.3
317.24808	1.1
335.25839	27.3
345.20688	13.7
363.21680	17.0
363.26062	0.8
364.21976	1.5
398.04254	1.2
487.34045	4.8
505.35376	12.7
605.41949	21.2
623.43048	45.9
624.42566	1.8
641.19330	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	10.3
57.07074	3.3
59.04982	1.5
61.11570	1.5
65.03928	4.5
66.09410	1.1
66.21558	1.2
67.05508	75.7
67.24435	1.4
68.05828	1.3
69.03432	11.2
69.07069	21.3
69.22537	12.8
71.04996	3.0
75.75119	1.2
77.03932	1.8
79.05498	74.6
81.03404	2.5
81.07059	66.6
83.04995	7.8
83.08150	2.0
83.08622	36.9
85.06530	2.7
91.05486	62.5
93.07047	60.2
95.04958	5.4
95.08618	39.0
97.06548	3.3
97.10177	81.3
103.05450	3.3
105.07026	20.1
107.04933	4.8
107.08598	51.4
109.06537	4.4
109.10171	19.4
111.08085	5.1
115.05437	6.0
115.06158	1.4
115.12535	1.4
117.07028	39.6
119.08585	83.0
121.06485	3.7
121.10156	20.4
123.07968	1.5
123.11730	4.2
125.06069	1.6
125.09637	76.8
126.97639	1.3
128.06221	2.9
129.06999	5.1
131.08562	15.9
133.06491	1.8
133.10141	11.7
133.61238	1.3
135.08060	16.9
135.11702	13.1
141.07030	1.8
142.07724	1.7
143.08563	10.9
143.10620	3.6
145.06488	32.6
145.10117	12.5
147.08060	7.1
147.11688	7.1
149.13281	6.6
153.09090	6.8
155.08545	4.8
157.10175	6.9
159.08073	13.0
159.11697	8.1
161.09630	3.1
161.13268	5.6
163.07571	3.1
163.14795	2.5
167.08620	1.7
169.10123	3.6
171.07974	2.7
171.10109	6.0
173.09601	4.9
173.11844	1.8
173.13252	5.4
175.14809	2.5
177.16290	1.4
184.07281	2.9
187.14828	4.4
189.11223	56.4
189.12930	3.0
197.13271	1.9
201.16339	2.0
215.14316	3.1
215.17772	1.5
227.12784	100.0
235.14832	1.9
243.17496	3.0
243.21143	6.3
245.13800	2.5
253.15866	5.4
261.18283	1.6
261.19217	2.2
261.22137	25.8
271.16949	66.2
272.17102	1.5
278.06271	1.5
289.18027	18.3
301.24756	1.4
317.24677	4.5
327.19394	2.7
335.25815	62.4
345.20679	20.1
363.21628	23.0
401.28946	2.0
487.34338	7.0
505.28143	2.8
505.35287	46.9
506.35602	1.7
560.32880	1.6
605.42047	37.4
619.61084	1.8
623.43042	87.4
624.43195	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	818.578
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	31.8
69.07087	10.4
69.19956	14.4
69.20298	82.7
79.05496	21.1
81.07064	41.4
91.05477	18.4
93.07050	28.9
95.08617	42.9
98.21514	17.2
105.07076	12.8
107.08601	16.2
109.10144	21.8
119.08558	11.0
121.10201	21.3
129.24782	7.1
130.46199	8.0
133.10138	17.4
133.65720	9.6
135.11691	18.5
145.10135	8.3
147.11749	8.7
149.13264	12.0
162.84419	8.5
165.00137	10.3
184.07373	15.8
189.98590	8.2
261.22165	27.5
282.22693	8.0
335.25891	100.0
337.27264	13.5
595.47186	11.4
607.96069	8.3
677.00854	8.1
680.19867	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	819.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	0.5
69.03418	0.3
70.94103	0.4
70.94434	0.3
70.98115	0.3
71.95268	2.3
72.96068	1.6
74.97601	0.4
79.05504	0.3
80.99796	0.3
81.07037	0.5
84.96005	1.1
85.02883	0.7
91.05473	0.4
93.07000	0.3
95.08588	0.6
97.02876	0.5
97.96817	0.5
98.97574	1.1
105.06979	0.4
109.02840	0.2
110.97597	0.7
115.00661	0.4
116.98577	0.3
121.06419	0.3
128.98564	0.5
131.08574	0.3
135.11731	0.3
137.02713	1.0
139.00705	0.5
141.02209	1.3
145.02850	0.4
153.02213	0.4
155.03726	0.6
157.01743	0.5
159.03285	1.2
161.01212	0.5
165.09322	0.3
167.06993	0.4
169.01730	0.3
169.05400	0.3
171.03352	1.6
173.04858	0.7
177.04269	0.3
185.01227	0.7
185.04858	1.1
186.20518	0.3
189.00739	0.3
189.04323	1.1
199.02776	1.2
199.06433	0.9
203.02312	0.7
203.05916	1.1
209.04803	0.3
211.06416	0.9
213.08006	0.5
217.03835	1.0
217.07455	0.7
219.01796	0.4
223.09991	5.9
223.11961	0.4
225.08040	0.3
227.09540	0.3
229.07481	0.9
231.06941	0.5
231.08968	0.4
237.02762	0.6
237.08029	0.9
239.09612	0.7
241.11125	66.9
242.11391	1.3
249.07901	1.6
255.09084	0.6
255.12637	0.4
259.12198	57.7
260.12543	1.2
261.12509	0.4
264.12741	3.5
267.09039	12.8
281.10550	1.5
282.13721	1.8
285.10107	49.3
286.10501	1.1
299.11652	1.0
303.11169	21.4
304.11609	0.4
308.11755	2.6
309.10056	1.3
326.12793	0.7
327.11105	2.8
351.10989	0.4
369.12189	1.2
371.13525	0.5
385.15271	0.9
411.13306	2.1
429.14365	100.0
430.14734	3.2
447.15427	3.5
470.16992	3.4
471.16171	0.5
495.22672	2.7
591.19165	0.3
657.28094	1.5
658.03448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.1
61.02937	3.4
61.39517	1.4
67.05512	16.7
69.03442	3.7
69.07077	5.3
70.27319	3.4
71.05024	1.4
73.78932	1.2
77.50454	1.4
79.05503	12.5
81.03429	4.3
81.07055	14.1
83.04982	1.8
83.08627	9.5
83.77785	1.4
85.02916	4.7
91.05491	12.5
93.07050	8.5
95.04996	1.8
95.08622	4.9
97.02905	2.6
97.06529	1.7
97.10181	16.2
98.56336	1.3
103.05484	5.7
104.90976	1.3
105.07038	10.5
107.08601	9.2
109.06543	1.7
109.10173	2.2
111.08099	2.0
111.09920	1.3
115.05456	2.2
117.07036	18.2
119.08599	8.4
121.06480	2.3
121.10137	1.5
123.08146	2.8
125.09646	12.1
129.07021	6.3
131.08601	13.6
132.64659	1.4
133.06479	2.9
133.10121	2.4
135.08005	3.2
141.07027	4.8
142.07828	1.4
143.08540	4.0
145.06511	5.8
145.10158	6.2
147.08066	1.4
147.11708	2.0
149.09598	2.2
149.34686	1.3
155.08578	6.1
157.06587	2.7
157.10168	2.4
158.02744	1.8
159.08076	2.5
159.11719	2.5
167.08624	2.6
169.10126	4.2
171.08014	1.8
171.11758	2.4
173.09648	2.1
181.10170	2.4
187.14848	3.9
189.11252	7.6
189.12691	1.5
192.05968	1.4
193.06470	3.6
195.11746	1.7
195.78976	1.4
197.09570	1.6
197.13304	8.7
213.12917	1.7
215.14331	22.1
226.30708	1.5
227.12758	16.6
233.15515	1.9
241.15984	2.1
255.34572	1.5
267.15967	2.1
340.44739	1.5
349.21375	4.5
367.22693	10.2
385.23740	4.0
403.24649	1.5
441.26373	45.2
442.26422	1.8
459.27478	100.0
460.27859	4.4
477.28693	13.1
671.35413	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	813.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.8
61.02929	5.5
67.05510	4.9
69.03441	3.3
69.07066	1.4
70.55594	0.3
71.01383	0.5
71.05011	0.5
71.15504	0.3
71.15813	0.5
73.02927	4.4
79.05496	5.1
81.03426	1.8
81.07054	4.6
83.04967	0.4
83.08627	0.6
85.02907	5.4
85.06565	0.4
86.09709	0.8
91.03957	2.8
91.05477	3.1
93.07050	5.9
95.05003	0.5
95.08617	4.8
97.02906	6.3
97.06534	0.4
99.04474	0.8
101.02377	1.8
105.07037	2.9
107.08597	2.7
109.02907	1.0
109.10177	1.4
115.03931	0.5
117.07069	0.7
119.08578	2.1
121.10146	1.8
125.00004	0.7
127.03908	1.7
131.08589	1.3
133.10168	1.3
135.11720	1.0
143.08539	0.4
145.10156	0.7
147.11713	0.8
149.13278	0.8
159.11655	0.6
161.13374	0.6
173.13292	0.6
184.07442	1.7
185.04248	1.3
203.05334	0.6
213.16623	0.3
243.08372	3.0
277.71823	0.3
301.09045	0.9
313.08649	0.4
315.10556	0.8
317.20807	0.4
335.26010	0.4
436.06766	0.4
519.29364	10.5
520.29474	0.4
535.28809	4.3
591.31873	0.6
658.92468	0.4
785.65521	0.4
813.51251	100.0
814.51556	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	813.5127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.5
61.02928	7.1
67.05507	8.3
69.03439	4.8
69.07091	2.2
69.34947	1.0
71.55553	2.2
73.02920	7.2
79.05506	6.6
81.03427	1.6
81.07051	8.5
84.91422	1.3
85.02917	8.5
85.68130	1.1
86.09682	1.7
91.03981	5.3
91.05496	3.7
93.07070	6.1
95.08611	7.0
97.02911	4.6
101.02393	1.5
105.07054	2.7
107.08604	4.1
109.02911	1.5
109.10197	2.4
117.07047	1.3
119.08613	2.9
121.10188	3.7
127.03963	1.6
133.10222	1.7
135.11644	1.2
149.13144	1.3
177.69646	1.1
184.07431	2.9
189.29788	1.1
235.55627	1.3
243.08513	3.1
335.25989	1.1
519.29272	8.2
535.28876	5.5
636.61700	1.4
765.24493	1.4
813.51196	100.0
814.51758	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	811.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.2
59.05000	0.9
61.02925	5.4
67.05511	6.1
69.03436	4.3
69.07070	2.3
71.01343	0.5
71.05006	1.5
71.05927	0.8
73.02923	3.6
79.05496	5.8
81.03421	5.3
81.07056	5.3
83.04969	1.0
83.08638	1.7
85.02908	5.3
87.04505	1.0
91.03952	2.9
91.05489	5.4
93.07048	4.0
95.04980	2.0
95.08592	2.5
97.02895	4.8
97.06554	1.0
97.10251	0.5
99.04475	0.9
101.02362	1.3
103.03965	0.5
105.07023	3.7
107.04929	0.5
107.08572	3.0
109.02911	0.7
109.06539	0.8
109.10175	1.3
111.04446	0.6
111.08065	0.6
117.07049	1.0
119.08611	2.4
121.06509	0.9
121.10160	2.0
127.04002	1.3
129.07014	1.5
131.08569	1.4
133.10136	1.4
135.08087	0.6
135.11649	0.9
145.10184	0.6
147.11711	1.8
149.09683	2.0
157.10176	1.2
175.11240	1.0
193.12349	0.8
203.05302	0.6
210.56387	0.5
243.08475	3.9
267.16016	0.9
283.15179	3.0
306.83777	0.5
333.20422	2.1
339.17673	0.8
389.22803	0.6
439.19522	1.5
453.21155	1.6
469.20264	1.0
501.23032	13.7
502.23453	0.7
551.28357	7.0
721.37909	1.6
811.44470	100.0
812.44879	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	813.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
68.65337	2.8
70.98779	5.3
72.22679	2.3
96.33773	3.1
184.07451	6.9
813.49225	100.0
814.49377	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	811.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	1.0
57.03437	2.1
61.02941	6.0
67.05516	9.0
68.24138	0.9
69.03427	2.7
69.07042	1.6
71.01334	0.9
71.04977	1.3
72.88061	0.9
73.02914	4.4
75.19350	0.8
79.05484	2.9
81.03421	7.8
81.07046	3.5
83.04977	1.6
83.08614	1.3
84.25211	0.9
85.02923	5.4
91.03944	3.3
91.05481	3.7
93.07034	2.4
95.04990	1.6
95.08604	1.1
97.02895	5.4
98.20708	1.6
99.04441	1.5
101.02361	1.5
105.07011	2.9
107.08590	2.0
109.02882	1.5
109.10164	6.9
110.97562	1.1
119.08553	2.7
121.10088	1.1
127.03933	2.1
131.08589	1.1
133.10153	1.4
147.11696	1.2
157.10152	1.5
173.11777	1.3
175.11143	1.1
185.04207	1.7
193.12306	1.4
193.43391	1.0
194.02136	1.0
195.09918	1.2
197.75897	0.8
229.14378	1.4
243.08379	3.1
244.42567	0.9
251.12468	2.0
301.08951	2.6
367.17001	1.0
373.11029	1.0
385.18408	2.6
413.17868	8.4
469.20496	13.3
485.19510	1.3
528.21558	2.1
541.22797	1.2
544.25018	1.2
555.24677	1.2
612.31262	1.5
641.31445	100.0
642.31494	4.7
669.33905	2.8
697.33655	2.5
721.37891	7.5
811.42334	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	809.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.9
59.05012	0.7
61.02926	5.6
64.43230	0.7
65.03951	0.7
67.05504	4.9
69.03433	4.3
69.07080	1.5
70.00008	2.1
71.01354	0.8
71.04997	1.4
73.02933	4.9
79.05488	4.3
81.03421	5.8
81.07066	5.7
83.04982	1.5
83.08618	1.7
85.02905	6.2
87.04492	1.4
91.03967	3.3
91.05489	5.4
93.07053	4.3
95.04988	2.5
95.08619	3.5
97.02911	4.6
97.06544	1.3
98.20818	0.7
99.04456	1.5
101.02389	2.3
105.07048	4.1
107.04956	1.1
107.08614	3.0
109.02895	1.3
109.06548	1.3
109.10202	1.8
111.08148	0.7
119.08611	2.5
121.10163	2.4
123.08059	0.6
127.03954	1.6
129.07018	1.2
131.08618	1.9
133.10172	2.7
145.10153	0.7
147.11754	1.6
149.09692	2.6
151.11252	1.3
157.10234	1.4
163.11247	0.6
165.12756	0.9
175.11229	1.4
193.12305	2.4
196.01563	0.7
203.05353	0.9
226.43724	0.6
243.08401	4.6
283.15228	4.0
301.09128	1.1
331.18951	2.9
413.17682	0.7
451.19794	1.9
469.20944	1.2
501.23129	17.1
502.23782	0.8
531.25446	2.9
549.26843	3.2
573.25635	2.0
639.29797	6.5
640.31061	0.8
711.36304	3.0
791.41919	10.1
809.42853	100.0
810.43054	6.6
819.23407	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	4.0
71.55082	0.8
72.19207	0.6
76.40793	0.6
84.96017	0.9
87.47345	0.5
88.99207	0.6
89.03931	0.8
91.05486	1.0
94.62330	0.5
98.97581	5.2
110.97518	0.8
115.05443	1.3
116.98614	2.4
117.03390	1.7
117.05760	0.9
117.07023	1.1
118.06551	20.4
124.99077	0.6
128.98593	1.0
130.06544	0.9
132.08099	4.8
142.06509	1.9
143.00151	1.5
143.07312	2.1
144.08087	12.0
145.02867	3.7
146.06017	57.6
147.06335	1.0
154.35834	0.5
158.99657	1.2
159.09183	5.7
160.07582	0.7
161.01230	1.2
170.06024	4.8
176.41377	0.5
177.00728	1.3
177.05495	4.5
188.07076	100.0
189.07428	2.3
193.01767	0.7
205.09734	46.4
221.01251	0.9
225.04384	1.0
233.01173	0.9
235.99907	1.6
237.00554	0.7
239.02271	1.0
250.01582	0.6
251.02231	1.9
254.01019	0.9
265.14386	1.8
267.00208	1.1
269.03293	5.1
275.02249	1.1
287.04462	3.2
293.03302	0.7
309.03143	0.6
311.04535	0.9
319.04987	0.9
337.06134	0.6
407.02710	2.5
423.00888	3.6
425.04007	4.7
441.01859	0.8
443.04916	3.2
583.07501	0.8
599.05414	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	809.429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.2
59.04999	1.0
61.02934	4.1
65.67075	0.5
65.83950	0.6
67.05511	4.7
67.10850	0.6
69.03440	2.8
69.07070	1.9
69.87659	2.2
69.88075	1.2
71.04991	2.2
73.02934	3.2
78.70764	0.6
79.05509	3.9
81.03424	3.8
81.07062	3.8
83.04958	0.8
83.08615	1.6
85.02898	4.4
91.03976	1.7
91.05486	3.4
93.07040	3.2
95.05003	2.0
95.08624	1.8
97.02909	4.4
97.06582	1.2
97.10180	0.8
99.04509	0.8
101.02410	1.6
105.07029	3.1
107.08613	1.8
109.02899	1.0
109.10178	1.3
111.08108	0.8
119.08604	2.1
121.10172	2.3
125.09658	0.8
127.03963	1.9
131.08604	1.5
133.10146	1.7
135.30928	0.6
136.10860	0.6
147.11713	1.8
149.09648	1.3
157.10188	1.1
165.01881	1.2
181.85143	0.6
193.12314	1.2
195.00275	0.6
223.13429	1.7
233.08121	1.6
243.08415	4.5
246.33080	0.5
246.60623	0.6
253.14255	0.6
283.15268	3.2
291.19678	2.0
331.18866	2.2
339.17947	1.1
387.21423	1.2
470.22000	0.6
501.23178	13.6
549.26642	5.6
573.25714	0.7
809.42957	100.0
810.43481	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	808.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03188	1.7
57.03443	18.8
57.07058	2.7
59.77820	0.9
61.02922	2.7
65.03939	4.2
67.05511	71.9
69.03424	2.9
69.06727	1.3
69.07077	19.2
71.04983	3.2
71.46980	1.7
73.02904	1.3
77.35719	1.1
79.05500	63.6
81.03440	2.0
81.07063	77.7
82.78602	1.1
83.04980	3.2
83.08620	9.7
85.02906	3.8
85.06546	3.2
90.28194	0.9
91.05491	46.5
91.53077	0.9
93.07052	65.9
95.04990	5.9
95.08614	56.3
97.02895	3.9
97.06541	5.2
97.10165	3.8
99.08105	4.3
99.78898	1.0
104.25065	0.9
105.04516	2.2
105.07041	38.0
107.08607	34.1
109.06513	2.7
109.10165	25.2
111.08068	3.1
116.06230	1.0
117.07030	13.4
119.08591	30.6
121.06507	1.8
121.09324	1.9
121.10153	30.8
123.08083	2.4
123.11678	5.5
127.03915	1.4
129.07007	5.3
131.08588	19.9
133.09122	1.3
133.10141	25.3
135.11711	19.9
137.09639	2.7
137.13330	1.2
139.11157	2.2
143.08574	5.5
145.10141	17.8
147.11691	17.5
149.09607	1.3
149.13271	10.3
151.11140	1.3
155.08571	1.3
157.10129	5.6
159.11719	16.6
161.13283	12.1
163.11235	1.6
163.14809	3.7
165.12790	1.4
169.10104	1.6
171.11664	6.5
173.13301	7.3
175.14856	5.3
177.12770	1.9
179.14294	2.5
183.11714	1.6
185.13275	6.0
187.14857	9.0
189.12769	1.0
189.16382	1.3
199.14812	3.4
201.16354	2.4
203.14275	1.0
203.18016	2.4
205.15884	3.6
213.16446	1.8
219.17316	1.1
227.26730	1.1
232.41119	0.9
241.19530	8.3
243.21112	2.0
257.19031	3.2
259.20609	20.4
261.22156	6.9
277.21658	15.8
293.21198	2.6
315.23175	2.2
317.24753	2.5
333.24268	15.4
335.25830	100.0
336.26157	3.5
337.27362	1.5
351.25305	27.3
432.13019	1.0
495.29831	1.5
517.39508	1.0
529.38928	3.5
553.42517	1.2
593.44727	2.2
611.46777	30.5
612.47400	1.3
639.45325	1.1
808.52252	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	18.6
57.07081	4.2
62.17326	4.0
65.03938	8.0
67.05177	6.3
67.05509	83.6
68.51488	4.1
69.07057	20.7
79.05068	5.8
79.05498	92.7
81.07064	87.9
83.04964	7.3
83.08613	17.1
85.06536	4.7
91.05488	79.0
93.07054	100.0
94.76565	3.5
95.04972	7.8
95.08614	69.9
97.06519	5.6
97.10162	8.6
98.20712	7.9
102.12305	4.3
105.07047	69.3
107.08602	46.7
109.10194	29.2
117.07021	21.1
119.08595	49.4
121.10160	37.5
123.11697	4.9
129.06993	14.6
131.08575	29.3
133.10156	47.0
135.11726	28.6
137.09589	5.4
143.08574	9.0
145.10106	21.7
147.11700	42.3
149.09711	4.1
149.13252	15.2
153.33820	4.2
157.10129	10.3
159.11711	27.5
161.13271	25.8
163.14793	6.7
171.11678	13.2
173.13268	16.0
175.14815	14.6
185.13289	10.8
187.14915	6.3
229.16132	6.2
241.19548	18.0
259.20639	47.1
261.22180	10.3
275.20084	5.5
333.24277	42.5
335.25812	70.1
337.27441	6.8
349.23898	4.3
382.58383	4.0
593.45416	8.8
611.46759	35.9
760.21930	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	806.5778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.3
61.02918	5.4
65.78683	2.0
67.05184	2.4
67.05508	35.1
69.07059	8.1
70.77916	2.0
71.55319	2.3
73.04621	1.9
75.73054	1.9
79.05504	19.1
81.07054	35.3
83.08601	5.1
85.02901	3.4
91.03944	2.2
91.04987	2.3
91.05481	14.9
93.07049	21.3
95.04909	2.8
95.08611	30.0
97.06512	2.5
105.07043	9.9
107.08589	12.4
109.10170	10.5
117.07028	4.6
119.08584	9.8
121.10154	14.2
123.11716	6.6
123.62932	2.1
131.08551	4.8
133.10117	7.8
135.11711	12.1
137.09604	2.4
138.13037	1.9
143.08746	2.4
145.10104	7.0
147.11623	5.1
149.13264	3.4
159.11696	6.6
161.13315	2.8
163.14818	4.5
164.18837	2.0
173.13260	4.7
187.14890	3.6
209.72649	2.1
243.21141	4.9
259.20627	6.2
261.22110	18.1
333.24255	2.5
335.25812	100.0
336.26169	2.6
337.27377	6.6
399.47278	2.4
464.09973	2.2
491.22147	2.0
595.47076	14.4
613.47968	3.6
795.71637	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	806.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63574	1.7
57.03437	20.8
59.37109	1.7
65.03928	3.5
67.05510	69.6
69.03440	9.1
69.05091	1.8
69.07069	28.4
69.85427	3.6
69.85828	6.4
71.01350	1.6
71.04991	6.6
79.05498	61.2
81.03424	100.0
81.06584	3.7
81.07062	67.4
83.04995	14.3
83.08624	31.2
85.02895	5.3
85.06545	3.9
88.56107	1.7
91.05488	55.1
93.07053	54.1
95.04979	41.8
95.08620	30.9
97.02903	5.1
97.06548	15.9
97.10191	16.3
99.08110	3.1
105.07038	43.1
105.07690	3.6
107.04955	12.5
107.08597	35.7
109.02879	2.8
109.06517	10.7
109.10159	18.5
111.04441	3.9
111.08092	10.3
115.05447	3.9
117.07014	16.6
119.04967	2.9
119.08591	37.7
121.06530	6.3
121.10140	20.7
123.04390	2.8
123.08068	4.3
123.11728	3.4
125.09648	15.9
127.03925	2.6
128.06256	3.5
129.07010	15.4
131.08597	30.8
133.06480	7.6
133.10138	23.2
135.08058	5.5
135.11707	16.5
137.09669	4.6
141.06970	3.1
142.07758	3.4
143.08575	7.4
145.06502	3.9
145.10110	14.0
147.08055	7.3
147.11731	14.6
149.09625	15.9
149.13280	8.8
155.08609	6.3
157.10129	16.1
159.08086	2.4
159.11714	11.1
161.09637	2.3
161.13263	4.7
163.11166	8.9
165.12764	3.2
169.10124	4.7
171.08171	2.9
171.10245	1.9
171.11739	5.1
173.09689	3.2
173.13257	2.8
175.11182	7.1
177.12833	4.0
179.14429	1.9
183.11728	4.6
185.13200	4.6
187.11214	2.3
189.11261	7.8
193.12257	24.9
195.11719	2.1
197.13295	2.6
199.11362	1.9
199.14841	2.6
201.12721	2.2
204.71732	1.8
209.11629	2.8
211.13313	2.7
213.12697	2.2
217.15901	2.4
223.13260	3.4
227.12769	12.6
229.14323	6.7
233.15424	2.2
249.14986	2.4
253.14323	2.1
255.15894	12.0
257.18994	5.7
267.15936	78.2
269.17523	25.9
273.18427	2.1
275.20099	18.5
291.19531	6.3
297.22040	2.4
298.55347	1.8
301.14111	2.5
331.22678	2.9
347.21890	2.0
349.23712	22.4
351.23431	2.1
367.24954	3.7
369.24240	7.1
387.25494	3.9
393.76254	2.1
421.25671	4.5
435.27213	3.2
443.27866	10.2
447.27402	27.9
449.30252	4.1
459.27200	2.8
461.29034	89.2
462.29135	2.4
467.31543	4.9
475.30804	3.2
493.31732	13.1
501.32007	3.7
523.33661	2.2
541.35315	47.1
542.36053	3.0
559.36365	19.7
583.36072	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	27.7
59.04999	4.9
60.97121	1.7
61.02926	6.8
65.03165	1.8
65.03951	4.2
67.05509	100.0
69.03421	8.4
69.07079	14.6
69.78524	9.6
71.04994	8.4
73.02921	3.4
79.05496	48.1
81.03421	81.1
81.07063	60.0
82.07382	1.7
83.04987	21.9
83.08623	36.4
83.09111	1.9
85.02916	31.2
85.06531	3.5
87.04485	4.0
91.05489	54.6
93.07043	31.0
95.04974	33.5
95.08612	26.0
97.02900	9.3
97.06548	7.9
97.10175	16.4
99.08102	3.0
103.03875	1.7
103.05487	2.6
105.07038	33.6
107.04967	14.2
107.08614	19.6
109.06522	5.8
109.10165	57.1
111.04431	4.5
111.08071	16.0
113.06005	3.9
117.07015	6.3
119.08595	31.7
121.06526	4.2
121.10154	10.8
123.08040	4.7
125.09616	15.5
127.03930	2.8
128.06230	2.1
129.05508	3.7
129.07014	17.6
131.08569	13.1
133.06473	3.4
133.10156	14.3
135.11699	5.3
137.09645	4.7
138.22223	1.8
139.07593	1.8
142.07799	4.5
145.10124	6.5
147.08052	7.1
147.11716	18.9
149.09581	8.2
151.11203	2.9
153.09099	1.8
153.12732	4.2
157.10114	16.4
159.11690	2.2
163.11209	11.6
165.12794	2.4
173.09616	2.6
173.11765	14.8
175.11188	15.1
181.12256	2.9
191.10683	3.2
193.12248	54.9
197.93501	1.8
199.13342	4.7
209.11761	6.1
211.13297	78.0
227.12740	7.3
229.14365	49.5
249.14854	3.7
253.14487	4.9
257.58450	1.6
267.15906	26.3
283.15442	5.6
285.16983	52.5
301.16559	10.7
367.24850	2.0
383.22379	2.4
399.23874	14.5
409.25836	2.4
421.25729	11.3
427.26855	3.5
439.26907	36.2
493.27921	2.5
511.29294	9.3
559.36243	4.7
609.36316	30.5
651.56683	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	805.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	22.6
57.07088	2.4
65.03937	3.9
67.05512	88.1
69.03441	3.7
69.07072	14.6
71.04996	4.0
79.05504	53.2
81.03427	3.3
81.07069	56.9
83.04961	3.0
83.08639	9.5
85.06542	12.1
89.06049	3.6
91.05494	39.8
93.07062	44.8
95.04975	59.5
95.08613	38.5
97.06549	6.0
97.83450	2.1
105.07042	29.4
107.04968	12.3
107.08620	27.7
109.06535	63.1
109.10173	12.6
111.04398	2.1
111.08060	2.9
113.06017	27.3
115.05451	3.1
116.06240	2.0
117.07041	16.8
119.08576	16.2
121.06502	6.0
121.10159	14.3
123.08084	5.7
123.11739	3.2
128.06293	3.0
129.06993	9.4
131.08594	19.3
133.08633	2.1
133.10147	10.7
135.07103	4.0
135.08064	43.6
135.11726	7.7
137.09557	2.1
143.08577	9.7
145.10153	10.3
147.08070	7.0
147.11684	6.9
149.09641	6.0
149.13303	3.6
157.10109	6.3
159.08092	2.4
159.11714	8.2
161.09663	8.3
161.13243	2.3
163.11234	2.6
169.10112	3.3
171.11743	2.5
173.13240	4.6
175.11197	3.4
177.12836	3.1
183.11794	2.7
185.13281	4.0
189.12848	2.3
199.14862	3.8
209.25682	2.1
217.15898	12.1
219.13576	2.2
227.18030	2.5
233.15344	3.1
237.16655	2.5
255.17216	2.4
273.18491	40.5
275.20087	2.2
291.19571	100.0
292.20050	3.3
309.20554	2.6
335.25827	81.7
336.25696	1.9
347.22308	11.1
365.23340	12.7
500.92349	2.0
567.39752	1.9
607.43518	15.9
625.44775	52.6
626.45142	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	804.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	10.5
62.46624	1.1
63.11814	1.4
67.05511	29.5
69.03447	7.6
69.07075	24.0
71.04991	4.0
79.05071	1.8
79.05504	29.6
81.03425	64.9
81.07066	27.6
83.04984	6.1
83.08620	17.2
85.06520	1.2
91.05493	22.8
93.07052	23.8
95.04453	1.8
95.04982	22.1
95.08617	10.3
97.02901	12.6
97.06510	3.2
97.10166	13.3
100.37028	1.1
103.05448	1.2
105.07040	18.1
107.04961	10.4
107.08604	14.5
109.06500	3.7
109.10188	8.3
111.04430	2.4
111.08067	4.6
115.05489	1.6
117.07031	7.1
119.04974	2.2
119.08584	16.8
121.06496	5.4
121.10131	8.1
123.08052	3.6
123.11678	1.5
125.09640	10.1
129.07040	10.6
130.07751	1.5
131.08574	11.1
133.06482	5.7
133.10126	10.3
135.08037	5.0
135.11684	4.5
137.09625	3.5
142.07805	2.5
143.08519	2.7
145.06575	1.5
145.10132	6.9
147.08096	6.7
147.11690	6.6
149.09613	4.9
151.11179	2.8
157.10139	10.0
159.11665	2.5
161.09607	2.6
163.11206	3.7
165.09192	1.3
165.12849	1.7
168.09268	1.1
171.11629	1.9
175.11153	7.7
181.12296	1.5
187.11180	1.5
189.11217	4.5
193.10603	1.7
193.12279	12.9
195.13773	1.3
205.12222	2.3
219.13782	4.0
223.13315	16.6
227.12808	9.0
227.31221	1.2
249.14819	4.7
253.14351	4.7
267.15939	78.7
268.16183	1.4
273.18512	10.3
291.19565	70.7
292.19897	2.0
313.21460	1.5
347.22064	2.1
365.23276	42.8
436.56107	1.4
445.25751	4.7
447.28961	1.4
448.13248	1.4
459.27399	4.8
477.28598	3.4
483.31293	2.1
539.33850	6.7
557.34790	100.0
558.34894	5.5
665.36304	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.1
61.02928	6.5
67.05508	7.2
69.03435	4.1
69.07072	1.9
69.32943	3.4
71.01365	0.6
71.05015	0.7
73.02924	6.0
79.05508	3.2
81.03434	1.7
81.07062	7.0
81.07515	0.5
83.08634	1.2
85.02908	6.1
87.04462	0.4
91.03965	3.8
91.05506	2.4
93.07039	3.8
95.04992	0.5
95.08613	5.4
95.09169	0.5
97.02901	6.5
97.06597	0.4
97.10187	0.5
98.20782	0.7
98.37246	0.4
99.04483	0.9
101.02419	1.8
103.03979	0.4
105.07054	1.2
107.08607	2.3
109.02892	0.6
109.10152	2.1
115.03976	0.5
115.99599	0.4
117.07018	0.5
119.08609	1.2
121.10154	1.8
123.08107	0.5
127.03944	1.6
131.08607	0.4
133.10158	0.8
135.11746	0.9
147.11705	0.6
149.13313	0.5
175.35480	0.4
185.04263	0.8
198.62735	0.4
203.05254	0.9
235.70494	0.4
243.08339	2.3
254.12646	0.3
337.27411	0.6
342.87003	0.5
519.29340	7.4
521.30774	6.2
522.31525	0.4
612.81659	0.4
799.53314	100.0
800.53979	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	799.5336
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	5.8
62.98273	7.5
67.05511	7.8
69.03453	5.1
69.07043	3.6
70.19186	12.7
73.02929	3.5
80.94856	3.3
81.07054	7.5
82.94563	7.8
85.02899	5.6
86.73952	3.0
93.07071	4.1
97.02903	9.1
98.21310	7.5
101.89592	3.2
104.99281	67.8
116.80823	3.4
164.92072	51.7
186.99548	16.0
244.95551	3.9
246.92407	11.8
246.95125	9.2
247.00456	10.8
249.00404	3.3
262.98120	4.2
268.99783	15.4
306.84982	4.9
306.92880	3.4
328.92606	7.1
329.00821	11.0
427.45880	3.4
470.94003	9.2
519.29248	7.6
521.31201	6.7
627.45197	4.4
727.52368	3.3
765.65497	3.5
799.53528	100.0
800.53137	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	12.1
61.02919	2.3
65.03934	2.2
67.05188	2.9
67.05513	44.3
69.03420	3.2
69.07079	11.8
71.04992	3.6
79.05495	30.3
81.03421	58.7
81.07061	42.4
83.04974	3.6
83.08623	13.8
85.02916	2.9
88.23967	1.5
91.05489	27.2
93.07043	32.8
95.04979	16.3
95.08612	30.3
97.02890	3.6
97.06532	2.7
97.10172	4.3
105.07024	21.9
107.04958	5.2
107.08599	16.5
109.06508	3.9
109.10159	10.9
111.08084	4.2
117.07008	5.0
119.08583	14.9
121.06492	2.2
121.10146	17.0
123.08063	1.9
123.11705	4.6
125.09623	3.7
129.07004	7.7
131.08585	11.5
133.06485	2.3
133.10144	9.2
135.11662	8.1
137.09564	2.4
137.13217	1.6
142.07782	1.8
143.08534	2.9
145.10129	7.0
147.08009	2.8
147.11702	8.8
149.02356	1.5
149.09651	2.3
149.13255	6.5
157.10118	7.2
159.11693	5.4
161.13290	3.7
163.06339	1.8
163.11227	1.8
163.14784	4.1
167.03366	1.5
171.11719	1.6
173.13252	6.6
175.11172	5.4
175.14853	2.9
183.11768	1.9
184.07333	1.5
185.13290	2.3
187.14838	1.8
189.11235	2.9
193.12254	17.2
227.12787	4.5
243.21078	5.1
249.14917	2.6
257.18918	1.6
259.20850	1.6
261.22144	20.8
267.15933	100.0
268.16351	2.1
301.25262	5.5
317.24768	3.9
335.25818	96.0
336.26114	5.2
402.20261	1.5
421.25607	2.9
435.32678	4.6
453.33554	6.3
471.34705	3.6
526.05634	1.7
527.37341	56.6
528.37506	2.0
545.30432	2.4
545.38379	40.0
546.38751	2.9
590.44275	2.2
752.48383	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
69.82128	1.6
69.82549	0.9
74.86505	0.4
98.21524	0.4
131.77200	0.5
167.07088	0.5
185.04243	2.0
203.05319	0.9
225.05930	0.7
248.06552	2.9
249.07358	5.7
249.09871	1.5
251.15645	0.4
267.10864	1.2
270.58157	0.4
285.08224	1.3
291.10699	1.3
303.09241	1.3
309.11871	1.8
351.12820	0.9
379.10254	0.8
396.79950	0.5
411.12564	100.0
412.12833	1.9
422.31549	0.5
429.12405	0.5
482.93222	0.5
623.19897	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68571	0.3
57.03430	1.9
61.02932	4.2
67.05171	0.5
67.05509	6.3
69.03433	3.3
69.07071	1.4
69.31287	2.5
71.01353	0.6
71.04994	0.3
72.08165	0.3
73.02918	3.6
74.28044	0.3
79.05522	2.0
81.03419	1.4
81.07055	3.6
83.08604	0.7
85.02910	5.2
85.03376	0.5
86.55682	0.3
87.04459	0.7
91.03961	3.1
91.05492	1.7
93.07048	3.1
95.08624	3.3
97.02892	4.6
98.21548	0.4
99.04452	0.8
101.02380	1.7
103.03964	0.4
105.07029	0.9
107.08611	1.7
109.02885	0.6
109.10172	4.8
115.03934	0.6
117.07050	0.4
119.08585	1.3
121.10169	1.2
127.03923	1.5
131.08612	0.4
133.10130	0.5
135.11725	0.8
137.09636	0.5
145.04985	0.5
145.10213	0.6
148.03595	0.3
149.13235	0.5
173.11789	1.1
184.07420	0.4
185.04292	0.8
191.19972	0.3
195.09987	0.8
203.05284	0.6
206.17271	0.3
229.14439	0.9
240.15945	0.3
243.08441	1.8
270.21579	0.4
287.73224	0.3
314.39932	0.3
335.25858	0.8
413.17859	7.5
519.29303	7.7
691.40302	100.0
692.40594	5.5
749.44141	0.8
777.43652	1.0
795.44702	8.8
796.44897	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.9
61.02932	6.6
65.85081	0.3
67.05511	7.2
69.03439	4.1
69.07085	1.5
70.72974	0.9
71.01357	0.6
71.05003	0.7
71.75697	0.4
73.02925	5.6
79.05500	5.1
81.03417	1.9
81.07066	6.0
82.97366	0.4
83.06713	0.4
83.08650	0.8
85.02913	6.0
87.04491	0.7
91.03962	4.8
91.05497	2.8
93.07053	5.6
95.04971	0.7
95.08621	5.7
97.02897	6.0
97.06543	0.5
98.21230	0.9
99.04464	1.0
101.02385	2.1
103.03938	0.7
105.07064	1.2
107.08601	2.9
109.02909	0.9
109.10175	2.2
117.07082	0.6
119.08620	1.2
121.10160	2.0
123.11762	0.5
127.03932	1.5
131.08582	0.8
133.10164	0.7
135.11713	0.8
173.13263	0.5
174.35222	0.4
185.04356	1.1
203.05386	0.7
243.08476	1.6
253.17685	0.4
286.86310	0.4
305.88965	0.4
318.80142	0.4
335.25906	1.0
346.92242	0.4
430.76910	0.4
519.29340	15.7
520.29730	1.2
729.71729	0.5
797.51807	100.0
798.52167	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	795.451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.8
59.06726	0.8
61.02942	6.2
65.03948	0.9
67.05514	12.3
69.03438	6.1
69.07083	1.9
70.25590	0.9
71.05013	2.1
73.02937	4.6
79.05508	7.0
81.03409	5.1
81.07070	9.5
83.05009	2.3
83.08667	2.1
84.02615	0.9
85.02919	7.3
85.06567	1.0
87.04501	1.1
89.62639	0.8
91.03975	4.0
91.05476	5.2
93.07042	8.2
95.04951	2.2
95.08600	5.9
97.02921	7.1
97.06519	0.8
98.20781	1.4
99.04473	1.4
101.02406	2.5
104.46199	0.7
105.07052	2.8
106.77523	0.9
107.04984	1.0
107.08605	4.2
109.02901	2.3
109.10172	5.3
111.04449	0.8
115.80203	0.8
117.07044	1.7
119.08578	1.9
121.10186	4.1
127.03973	2.6
129.05516	1.1
131.08609	2.4
133.10164	1.7
135.11722	2.6
145.10149	1.4
147.11824	1.1
173.11826	2.0
185.04262	1.3
243.08498	3.5
267.12164	1.7
272.40067	0.8
299.14688	1.1
335.25891	2.1
427.20010	0.9
462.59155	0.9
485.20383	3.2
517.22943	3.0
519.29327	6.5
633.40436	1.5
735.43744	1.6
763.42651	11.7
777.43390	3.3
795.45184	100.0
796.45471	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	795.4501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.1
61.02936	7.2
67.05507	7.8
69.03425	4.9
69.07084	1.8
71.04987	1.8
71.55403	1.4
73.02922	3.9
79.05504	5.7
81.03436	3.1
81.07067	8.3
83.05003	0.8
83.08629	0.8
85.02914	8.2
85.07917	0.7
90.32137	0.8
91.03958	4.8
91.05516	2.3
93.07037	5.7
95.08607	5.2
97.02896	6.7
97.06581	1.0
97.10214	0.9
99.04463	1.5
101.02414	2.4
105.07053	2.1
107.08630	3.2
109.02903	0.8
109.06542	0.7
109.10194	3.3
119.08627	1.6
121.10134	3.7
127.03975	2.7
131.08545	1.9
135.11725	1.1
145.10172	1.4
203.05313	0.8
243.08556	2.1
267.11975	3.8
281.13803	0.9
299.14816	3.9
335.26041	1.2
485.20142	2.2
519.29272	9.4
542.44940	0.8
743.48914	0.8
763.42480	10.7
777.42944	1.2
795.45129	100.0
796.44684	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	795.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.9
61.02929	4.5
63.32444	0.7
66.54493	0.7
67.05508	5.3
69.03446	3.5
69.07083	1.7
71.01361	0.9
71.05008	1.1
73.02940	3.5
79.05494	6.6
81.03442	3.1
81.07053	5.6
83.05013	1.0
85.02918	5.3
86.09742	0.6
87.04473	0.8
91.03981	2.7
91.05481	4.7
93.07044	5.4
93.07486	0.5
95.05006	1.5
95.08601	3.2
97.02915	5.4
97.06553	1.2
98.20785	1.7
101.02421	1.0
105.07059	4.4
107.08618	4.4
109.02905	1.0
109.10200	2.4
117.07049	1.1
119.08613	3.1
121.10179	2.6
127.03932	1.2
129.07045	1.2
131.08629	2.3
133.10172	2.7
133.73328	0.7
135.11740	1.5
137.04196	0.7
145.10153	1.1
147.11774	2.3
149.09639	1.1
152.93179	0.7
153.12421	0.7
157.10234	0.7
159.11748	0.8
175.71729	0.8
185.04323	1.2
215.20599	0.6
243.08408	3.4
283.15176	3.6
349.05545	0.8
381.19070	1.2
469.20233	0.9
501.23267	9.2
535.28796	7.9
573.25049	1.4
705.38428	2.4
777.40295	1.0
795.45068	100.0
796.45404	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	795.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.4
59.05010	0.6
61.02929	5.1
65.47141	0.5
67.05505	3.4
67.81136	0.5
69.03447	2.9
69.07077	1.6
69.81116	1.0
69.81536	1.6
71.05000	0.9
73.02916	3.1
74.63688	0.5
79.05502	5.1
81.03417	3.2
81.07072	4.2
83.05016	0.5
83.08638	1.0
85.02915	4.6
87.04477	0.6
91.03983	2.5
91.05487	4.6
93.07036	5.1
95.04972	1.5
95.08618	1.9
97.02882	3.6
97.06500	0.6
98.21496	0.8
99.04446	1.0
101.02385	1.3
105.07037	3.8
107.08597	2.9
109.02910	0.9
109.10187	0.5
111.08105	0.8
117.07035	0.9
119.08590	2.5
121.10175	2.2
127.03950	2.1
129.07033	1.0
131.08609	2.0
133.10172	2.2
135.11732	1.3
147.11699	1.0
149.09663	1.8
175.11243	1.1
192.60832	0.4
193.12387	0.7
213.36201	0.5
225.14917	0.6
243.08385	3.6
259.07913	0.6
267.16052	0.7
283.15228	5.4
301.09116	1.6
315.10339	0.7
339.17996	0.7
407.90131	0.5
413.17761	0.5
430.56439	0.5
465.20999	0.7
469.20160	0.7
501.23126	12.4
502.23419	0.9
535.28821	7.9
573.25494	1.6
601.29034	0.6
632.08539	0.6
657.34741	0.8
669.37457	0.6
728.73199	0.7
747.23224	0.6
795.45068	100.0
796.45264	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	795.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	1.2
61.99085	0.7
67.05510	2.0
69.03416	0.8
69.45663	4.0
81.03432	0.8
81.07080	1.5
87.04490	0.8
93.07055	1.6
95.08632	1.2
95.79108	0.6
97.02903	0.8
98.21541	1.2
98.97669	0.7
109.10160	1.1
135.11696	0.7
139.88054	0.7
158.70744	0.7
230.24960	0.7
267.09052	1.4
483.64975	0.7
519.29358	1.1
535.26361	1.6
565.46771	0.8
691.40344	13.9
692.40387	1.2
795.42975	100.0
796.43402	8.4
801.52039	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	0.9
57.03445	2.1
59.05008	1.3
59.27775	0.9
61.02933	4.7
67.05508	6.3
69.03426	3.7
69.07072	1.5
69.20508	5.7
69.20927	2.5
71.04983	2.0
73.02941	3.1
79.05503	5.0
81.03448	3.7
81.07067	4.8
83.05003	1.3
83.08645	1.5
85.02925	5.0
91.03989	2.6
91.05500	4.6
93.07070	4.3
95.04998	2.5
95.08641	2.7
97.02895	5.0
97.06558	1.3
98.21478	1.6
101.02418	1.9
105.07048	4.0
107.08644	2.4
109.02911	1.2
109.06514	0.8
109.10198	1.0
117.07051	1.3
119.08624	1.9
121.10182	3.3
123.08103	1.0
127.03964	2.1
129.07060	1.5
133.10190	2.0
135.11794	1.4
147.11740	1.3
149.09660	1.2
157.10205	1.2
164.03304	0.8
179.14345	1.4
185.04298	1.1
193.12262	1.1
214.38158	0.9
243.08545	3.0
267.15927	1.3
283.15240	2.8
317.21033	2.4
453.21054	0.9
469.20355	0.9
473.75992	0.8
501.23148	11.0
535.28925	7.7
625.32379	2.5
665.97742	1.0
709.32855	1.4
795.45087	100.0
796.45392	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	795.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.4
57.03429	2.2
61.02924	3.5
67.05510	5.5
69.03438	3.1
69.07070	2.7
69.37643	0.9
70.70300	2.1
70.70642	1.0
71.04996	1.1
73.02926	3.8
73.43452	0.8
78.02741	0.8
79.05492	4.3
79.36532	0.8
81.03414	4.8
81.07082	4.4
83.05000	0.9
83.08652	1.7
85.02905	6.1
86.09721	2.0
91.03963	2.0
91.05496	3.8
93.07066	3.9
95.08604	1.9
97.02920	3.2
97.06525	1.1
99.04478	1.4
101.02394	1.5
105.07061	2.8
107.04962	1.1
107.08620	2.2
109.02902	1.2
109.10177	1.3
117.07056	1.0
119.08634	2.2
121.10155	1.5
123.08080	0.9
124.69801	1.0
125.00003	1.1
125.09697	1.0
127.03951	1.3
129.07002	0.9
131.08598	1.6
133.10109	2.2
135.11714	1.6
145.40742	0.9
149.01289	1.4
149.02422	3.4
149.09677	1.5
184.07408	3.8
193.05035	1.8
200.20206	2.9
217.99832	0.9
243.08545	3.6
265.43881	0.9
267.09186	3.9
285.10281	2.3
289.47162	0.9
333.20517	1.1
336.49161	0.9
347.22556	0.9
349.17041	1.0
356.63272	0.9
439.19687	1.3
443.19293	2.8
463.98059	1.1
467.19016	1.8
469.20578	1.7
485.17471	2.7
487.21542	1.9
549.27002	2.8
551.28546	3.0
595.30450	1.1
693.34747	1.0
697.31781	1.1
710.68445	1.0
751.40167	1.2
777.40533	5.4
784.30920	1.0
795.41199	100.0
796.41449	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	795.415
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	2.1
57.03436	5.0
60.44743	1.4
61.02925	4.8
67.05506	6.2
69.03432	4.8
69.07095	2.3
71.01373	2.0
71.54471	1.7
71.54848	2.1
73.02923	5.3
79.05507	5.8
81.03418	5.8
81.07062	5.6
83.08611	2.0
85.02920	6.6
91.03950	3.6
91.05484	4.8
93.07056	5.7
93.68667	1.4
95.04980	2.0
95.08614	2.8
97.02876	7.3
99.04460	1.8
101.02402	3.0
105.07071	3.3
107.08611	2.6
109.10184	1.5
119.04950	1.5
119.08620	2.2
127.03959	2.1
129.07021	1.9
141.09894	1.6
145.10176	1.4
159.11967	1.4
185.04332	3.0
197.30025	1.4
243.08510	5.9
251.12700	3.1
267.09186	1.9
285.10349	2.1
301.09106	7.4
373.11136	1.7
385.18561	3.3
439.19632	3.3
443.19193	3.4
469.20367	11.9
471.21774	1.6
487.21948	1.7
528.22174	3.0
541.22797	2.9
551.28363	2.0
623.30090	1.7
641.31403	2.7
667.33148	10.8
709.33893	13.3
758.80859	2.1
777.39838	6.6
795.41394	100.0
796.41486	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	795.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52197	0.5
56.96565	0.8
57.03449	2.4
61.02935	4.6
67.05504	3.6
69.03434	4.0
69.07072	2.3
71.55442	0.9
73.02922	4.4
79.05511	4.2
81.03436	4.2
81.07054	5.0
81.92929	0.6
83.05003	1.5
83.08630	1.8
85.02907	6.5
86.09733	1.6
91.03953	3.0
91.05486	3.8
93.07053	2.9
95.04993	2.3
95.08614	2.3
97.02897	5.0
97.10184	1.2
99.04461	0.7
101.02409	1.1
105.07024	3.2
107.02176	0.6
107.04980	1.0
107.08618	1.8
109.10149	1.0
117.07039	1.2
119.08620	2.3
119.48549	0.7
120.78870	0.6
121.10149	1.8
123.08088	1.3
125.09621	1.3
127.03967	0.8
129.07088	1.0
131.08646	1.8
133.10176	1.8
145.10143	1.1
147.11700	1.8
163.11295	1.1
175.11240	0.9
193.12306	1.7
211.13416	1.0
243.08430	3.3
245.87801	0.6
269.12531	0.9
285.10245	0.8
290.87234	0.7
349.19794	1.9
469.20428	8.0
567.28003	4.7
587.29211	1.5
653.37445	0.8
795.41370	100.0
796.41919	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	795.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
63.33582	0.8
65.03970	1.3
67.05511	3.0
69.03427	1.2
69.07074	1.5
70.06602	2.4
70.09786	2.9
75.75568	0.9
79.05499	2.3
81.03435	1.7
81.07057	2.6
83.04946	1.3
85.02906	3.5
91.05525	1.9
93.07055	1.5
93.92119	1.0
94.06573	2.5
95.04979	2.1
97.02904	1.1
105.07037	1.1
108.08115	2.1
112.03979	2.6
120.04469	0.9
120.08096	1.3
121.10130	1.0
122.06036	7.6
124.07600	4.3
128.43272	1.0
134.06017	1.6
136.07591	17.3
140.07072	22.4
146.06013	8.8
148.07559	5.8
152.07031	2.7
162.05519	1.6
164.07085	12.9
166.08690	4.9
172.03957	7.0
174.05573	5.0
176.07089	16.3
190.05006	6.7
192.06593	1.6
204.06604	8.1
206.08177	2.9
210.11487	1.5
211.12352	1.8
221.10825	1.9
223.12297	2.8
224.09500	2.4
224.13084	1.4
225.10243	3.5
225.13992	1.4
235.12334	3.8
236.12961	1.7
237.10234	8.4
237.13976	2.1
238.11043	11.2
239.09331	1.3
239.11768	11.4
248.09457	1.5
249.10310	5.1
249.13510	1.0
250.10901	4.4
251.11792	13.2
252.12653	1.7
253.13351	2.0
261.10138	1.1
263.09299	1.6
263.11810	13.2
264.08609	1.2
264.12552	2.1
265.09753	5.6
265.13364	19.2
266.10510	2.2
266.13943	1.4
267.11295	2.9
268.11914	1.3
269.12820	2.0
271.14465	4.0
275.11816	2.0
277.09726	5.6
277.13379	2.7
278.10583	4.1
279.11301	100.0
280.12021	8.9
281.12830	2.1
283.10736	2.4
284.11664	1.2
285.12433	2.5
287.13901	4.5
291.11374	5.9
293.12869	7.3
294.13535	2.1
295.10828	4.9
295.14417	2.6
296.11655	3.8
297.12366	54.2
298.13013	6.8
299.13718	1.4
309.12357	33.2
310.13156	12.9
311.13855	4.9
313.12149	1.6
317.23145	1.2
319.10767	5.4
321.12387	11.7
323.10269	1.4
324.10950	1.7
325.11899	5.0
330.16034	1.0
331.12845	3.9
335.24246	1.0
337.11856	48.0
338.12601	16.4
339.13431	60.9
339.97488	1.1
340.14014	3.8
345.14648	4.5
353.25266	0.9
369.14468	10.1
370.15292	1.4
371.16071	23.0
372.16937	1.2
381.78854	1.1
385.13910	1.3
399.15845	1.1
402.18231	1.2
414.18304	1.0
418.17627	1.7
442.17642	2.4
449.19260	1.2
450.20236	1.6
460.18735	39.1
461.19208	3.0
465.18704	1.3
466.19675	1.1
475.17169	9.9
478.19827	13.9
480.20874	1.1
492.21182	2.5
493.18051	1.0
510.22171	2.0
600.25073	2.6
601.26599	34.2
601.36133	2.2
622.23926	1.1
633.27557	1.0
640.25049	32.0
641.25842	8.9
642.26178	4.1
645.44159	1.2
672.27765	11.7
673.27948	1.3
763.31873	26.7
764.32172	2.2
795.39612	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	794.5782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86267	1.4
57.03439	17.2
57.07082	7.9
61.02924	4.0
65.03942	6.1
67.05509	99.0
69.07074	37.1
71.04990	2.5
71.08632	2.0
71.27790	2.5
79.05499	46.0
81.03455	1.2
81.07063	100.0
82.07393	1.6
83.05017	1.7
83.08627	20.3
85.02912	3.3
85.06559	2.4
85.10156	2.0
87.04482	3.7
91.05486	26.3
93.07046	50.9
95.04930	2.6
95.08613	74.8
97.02861	2.3
97.06532	4.4
97.10167	9.7
99.08095	3.1
105.04514	3.0
105.07051	25.3
106.36453	1.3
107.08601	30.2
109.06512	2.7
109.10172	33.8
111.08095	3.9
111.11739	3.4
117.07031	5.3
119.08579	19.5
121.10158	21.6
123.08111	1.6
123.11710	14.9
125.09621	1.9
129.07018	2.1
131.08577	14.6
133.10149	18.7
134.98282	1.4
135.11708	22.2
137.13280	4.3
145.10103	8.4
147.11682	11.3
149.13272	10.2
151.14874	1.8
157.10103	1.7
159.11713	7.7
161.13271	8.8
162.13219	1.6
163.14812	6.6
165.16455	1.4
171.11777	2.3
173.13234	7.3
175.14828	6.0
177.16362	4.5
185.13292	1.3
187.14804	3.4
189.16437	2.1
201.16451	1.3
215.17900	1.6
233.19023	1.6
241.19543	1.9
243.21153	7.6
245.22632	3.3
259.20575	6.4
261.22183	23.3
263.23798	5.9
277.21533	2.1
306.27820	2.1
317.24774	4.6
333.24359	2.9
335.25821	81.7
337.27377	96.6
338.27737	2.5
339.28989	6.1
364.23270	1.5
523.44952	4.4
541.45892	2.1
597.48749	28.1
598.48962	2.0
615.49713	19.0
616.50500	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96579	0.8
57.03440	1.7
57.42225	0.5
57.43433	0.5
61.02938	4.5
67.05506	6.9
69.03436	3.5
69.07073	2.4
69.45551	2.5
69.45961	1.4
71.04995	4.2
73.02927	3.4
79.05501	4.4
81.03441	1.7
81.07066	7.1
83.05015	0.8
83.08630	1.0
85.02926	5.4
91.03975	2.0
91.05482	4.5
93.07038	3.7
95.04992	1.4
95.08632	1.9
97.02910	4.4
97.06538	1.0
97.10188	1.3
98.20686	1.1
98.97592	1.0
99.04510	0.8
101.02412	1.7
104.10718	0.7
105.07068	2.1
107.08636	1.7
109.10188	1.2
112.99204	0.6
115.03983	0.6
116.98670	0.7
117.07072	1.0
119.08605	0.7
121.10198	1.1
123.11721	0.9
125.09669	1.7
127.03951	1.5
130.49974	0.5
131.00177	1.0
131.08604	1.2
133.10175	2.3
135.11734	1.0
145.10199	0.6
147.07980	0.6
149.01331	1.6
151.11206	0.8
155.93988	0.6
159.11662	0.7
167.02377	0.6
184.07379	0.7
185.04350	0.8
187.13368	0.6
218.89035	0.6
223.13405	1.3
243.08421	3.7
267.15854	1.6
277.13950	0.9
277.64124	1.2
291.19623	1.1
331.18951	1.2
387.21555	0.6
441.21304	0.7
451.20667	0.7
453.21030	0.7
485.23602	7.3
534.79877	1.7
535.30078	2.9
535.79639	2.7
536.29993	1.3
536.80341	1.9
549.26678	5.0
793.43536	100.0
794.43756	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	793.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46381	0.8
57.03434	1.5
61.02936	5.9
62.02662	0.8
63.15519	0.8
66.68021	0.9
66.92036	0.9
67.05515	5.7
67.32524	0.9
69.03438	3.3
69.07077	2.1
71.04983	4.5
71.55368	1.3
73.02920	4.8
79.05493	4.7
81.03436	4.1
81.07070	9.1
83.04996	1.2
83.08607	1.2
85.02914	5.5
85.06537	1.2
91.03984	2.6
91.05495	6.1
93.07065	3.8
95.05007	2.0
95.08621	3.2
96.95215	0.9
97.02903	4.4
97.06531	1.0
99.04491	1.4
101.02395	1.8
105.07057	2.3
107.08633	2.4
109.02931	1.2
109.10169	2.0
117.07014	1.0
121.10198	1.9
123.11740	1.5
127.04011	1.1
131.08601	1.0
133.10120	4.0
149.13385	1.0
151.11166	1.5
159.11720	1.1
193.12259	1.0
201.07275	0.9
243.08496	3.4
267.15802	1.1
313.17813	1.2
331.18835	2.8
335.26181	1.0
390.48682	0.9
443.81268	0.9
451.19339	1.2
478.77744	0.9
485.23584	11.6
531.26050	2.6
549.27045	3.5
557.25348	1.1
695.36127	3.0
775.42285	8.8
793.43488	100.0
794.43890	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	793.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.4
61.02928	8.2
66.23506	0.9
67.05513	6.4
69.03432	4.1
69.07079	2.2
71.04574	1.8
71.04972	1.8
73.02927	5.7
79.05491	4.2
81.03441	4.3
81.07073	6.3
82.01717	0.9
83.04946	1.5
83.08627	1.9
85.02915	7.7
86.99690	1.1
87.04484	4.8
91.03949	4.2
91.05498	3.4
93.07059	5.0
95.04985	1.3
95.08634	3.7
97.02364	0.8
97.02917	5.8
99.04473	1.0
100.64585	1.1
101.02401	1.9
103.03975	1.0
105.07072	2.7
107.08609	2.1
109.02908	1.1
109.10171	2.1
119.08616	2.1
121.06519	1.2
121.10168	2.9
127.03970	1.5
131.08601	1.5
133.10156	1.5
147.11700	1.4
243.08507	2.1
247.70898	0.8
262.28156	1.0
297.13309	1.5
308.16528	1.0
319.70541	1.0
335.25745	1.5
469.20639	2.7
485.88547	1.1
515.21191	2.9
519.29407	7.3
623.30029	4.5
689.37714	1.3
747.43097	3.1
793.43439	100.0
794.43518	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	793.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.7
61.02933	4.8
67.05507	4.4
69.03433	2.9
69.07074	3.0
69.57323	3.7
71.04998	1.1
72.52389	0.5
73.02917	3.4
79.05506	3.5
81.03420	3.7
81.07066	4.9
81.37229	0.6
83.05003	0.8
83.08654	1.3
85.02913	4.1
87.04479	0.8
91.02949	0.6
91.03979	2.3
91.05489	4.8
93.07068	3.0
93.70463	0.5
95.01338	0.7
95.04992	2.0
95.08630	2.0
97.02892	2.9
97.06567	1.2
99.04482	0.8
101.02404	1.5
105.07027	4.5
107.04978	1.5
107.08610	2.4
109.02921	1.0
109.06553	0.7
109.10156	0.8
111.08102	0.7
117.07077	1.7
119.08592	3.3
121.10179	1.6
127.03964	1.4
129.07076	1.2
131.08601	2.1
133.10144	3.0
145.10146	0.6
147.11736	1.7
149.09579	3.4
157.10161	1.0
163.11279	0.8
175.11266	0.5
175.33461	0.5
179.14444	0.9
193.12363	1.3
225.14713	0.5
243.08420	3.8
253.14311	0.7
275.20056	1.2
283.15295	2.0
301.09473	0.6
315.19342	3.1
339.17865	0.8
371.22189	1.2
457.73978	0.5
469.20810	2.1
501.23077	11.3
533.27356	8.2
631.37695	0.9
723.30231	0.6
793.43536	100.0
794.43561	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	792.5624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.3
55.05268	1.7
55.05514	21.3
57.03440	13.6
57.07069	3.1
61.02919	4.2
65.03943	4.0
67.05509	82.9
69.03432	1.9
69.07073	16.2
71.04987	1.8
71.14703	2.1
73.02917	1.0
79.05501	50.8
81.07063	76.2
83.04974	2.2
83.08628	7.7
85.02907	3.9
85.06548	2.3
91.05486	31.7
93.07050	61.1
95.04969	3.9
95.08611	62.0
97.02884	2.7
97.06539	1.8
97.10166	3.3
99.08102	1.0
105.07036	23.6
107.08605	33.2
109.06506	1.7
109.10166	25.6
111.08089	1.9
113.09687	1.4
117.07010	7.7
119.08583	17.5
121.10151	26.4
123.08032	1.1
123.11716	9.9
129.07060	1.9
131.08572	11.4
133.10147	15.6
135.11694	14.8
137.13258	2.8
143.08582	2.3
145.10121	9.4
147.11703	10.0
149.13268	10.0
157.10156	2.3
159.11711	9.8
161.13251	8.0
163.14780	5.5
171.11729	3.7
173.13257	8.1
175.14828	4.6
177.16364	1.4
185.13211	2.0
187.14856	3.5
201.16438	1.6
203.18034	1.3
213.16371	1.2
233.22765	1.3
241.19516	3.0
243.21169	5.8
259.20572	8.1
261.22131	16.1
263.23676	2.3
317.24823	3.5
333.24286	5.2
335.25818	100.0
336.26196	3.1
337.27365	9.2
521.43335	2.3
592.71857	1.3
595.47491	11.2
613.48407	9.0
652.59137	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.8
55.05515	13.5
57.03437	9.4
57.07076	1.9
61.02926	2.0
65.03933	2.1
67.05508	52.2
69.03455	1.1
69.07073	16.1
71.02859	1.9
71.04980	1.6
79.05499	34.8
81.07061	54.5
81.79311	0.8
83.04987	1.2
83.08621	6.8
85.02887	2.5
85.06533	1.1
87.67551	0.8
91.05485	20.5
93.07049	40.3
95.04978	3.8
95.08614	39.8
97.02879	1.1
97.06539	3.5
97.10173	3.0
100.20264	0.9
105.07036	19.0
107.07875	1.5
107.08594	21.9
109.06548	1.9
109.10165	20.5
111.08066	1.2
117.07028	7.6
119.08576	15.7
121.10153	18.7
123.08150	1.6
123.11734	8.2
129.07053	1.3
129.47079	1.0
131.08583	10.7
133.10146	10.8
135.11716	13.4
137.13251	2.9
139.73425	0.8
143.08565	1.2
145.10136	8.6
147.11699	10.9
149.13261	8.1
151.14853	1.8
157.10080	0.9
159.11694	8.8
161.13258	8.7
163.14847	5.0
171.11745	3.1
173.13277	6.4
175.14822	4.3
177.16405	1.3
185.13275	2.7
185.17583	0.9
185.75523	1.0
187.14845	3.3
189.16341	2.0
199.14861	1.4
201.16383	1.8
215.17920	1.5
225.16315	1.0
241.19513	3.1
243.21144	5.6
259.20547	7.1
261.22165	19.2
263.23755	1.7
277.21582	1.4
317.24734	3.1
333.24225	6.2
335.25818	100.0
336.26096	3.5
337.27393	9.7
339.29028	1.1
444.73373	1.0
467.46286	1.0
503.42603	1.7
521.43604	1.4
595.47308	11.5
613.48328	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	791.4556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	0.6
55.05511	2.1
57.03440	2.0
59.05008	1.3
61.02933	6.9
67.05511	8.0
69.03429	3.9
69.07074	2.0
69.62378	1.4
69.62800	2.0
71.04996	1.3
73.02926	5.0
73.87256	0.5
77.03920	0.5
79.05484	3.8
81.03427	2.6
81.07053	5.8
83.04995	0.7
83.08616	0.8
85.02902	5.5
86.99368	0.5
87.04456	0.8
89.06053	1.4
91.03959	3.3
91.05492	4.8
93.07055	5.1
95.04967	1.2
95.08608	4.3
97.02900	5.9
98.03256	0.6
99.04440	1.3
101.02383	2.5
105.07059	2.2
107.04935	0.8
107.08618	2.7
109.02903	1.2
109.06554	1.2
109.10165	3.6
117.07023	1.3
119.08646	1.3
121.06576	0.7
121.10200	2.1
127.03994	1.3
131.08592	2.2
131.68010	0.5
133.08688	1.4
133.10143	1.4
135.11713	1.3
141.43152	0.5
145.10190	1.2
159.11719	0.8
169.10196	0.5
177.12929	0.6
184.07462	0.6
185.04190	0.5
208.14781	0.6
223.13258	0.9
229.14264	0.7
243.08450	2.6
246.90205	0.5
295.15268	4.9
335.25839	0.7
351.17941	0.6
365.06784	0.5
473.18701	0.6
513.23206	6.9
519.29401	6.0
552.16705	0.6
752.96008	0.5
779.80219	0.6
791.45557	100.0
792.45728	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	790.5593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.3
55.05504	0.4
56.05033	0.7
57.07053	0.2
58.06623	0.5
60.08169	6.3
67.05503	0.8
69.07070	0.4
71.07379	3.8
79.05496	0.7
81.07064	1.0
83.08588	0.2
86.09711	30.3
91.05493	0.8
93.07048	0.8
95.04935	0.2
95.08624	0.6
97.06541	0.3
98.98471	3.7
104.10744	2.8
105.07037	0.6
107.08597	0.6
119.08579	0.3
125.00014	22.7
131.08589	0.2
133.10161	0.2
143.01056	0.3
159.11745	0.2
184.07352	100.0
185.07657	0.8
275.20071	0.4
276.20346	0.4
302.55899	0.2
335.25891	0.4
336.26224	0.5
433.96082	0.2
496.34189	0.2
610.44879	0.8
690.46735	1.1
772.54053	0.8
790.55768	2.3
791.55414	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.7
57.02572	0.5
57.03426	1.6
59.05009	0.7
61.02924	5.3
65.03938	0.5
67.05511	6.5
69.03426	3.0
69.07088	1.1
69.29413	1.3
69.29823	3.5
73.02921	4.1
79.05504	3.7
81.03425	1.8
81.07059	6.0
83.04986	0.8
83.08600	0.6
85.02914	6.0
87.04477	1.7
89.06060	0.6
91.03957	3.4
91.05475	3.0
93.07040	4.3
94.07398	0.5
95.04987	1.2
95.08611	3.6
97.02901	5.4
97.06520	0.8
97.10188	0.7
98.21471	1.0
99.04453	1.3
101.02411	2.0
105.07015	2.0
107.08610	2.3
109.02898	1.2
109.06529	0.5
109.10152	2.5
114.60702	0.5
117.07012	0.6
120.13318	0.5
121.06546	1.0
121.10170	1.6
123.11705	0.5
125.00026	0.5
127.03934	1.2
127.07327	0.5
131.08603	1.0
133.10143	0.9
135.11739	0.9
145.10149	0.6
184.07394	0.6
185.04300	0.8
243.08440	2.2
295.15201	6.5
351.17773	0.6
383.85529	0.5
454.55865	0.6
513.23206	4.2
519.29333	6.7
520.60297	0.6
527.97644	0.6
630.18872	0.5
791.45502	100.0
792.45685	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	6.9
55.05517	39.0
57.03438	18.9
57.07081	1.7
59.05005	33.9
61.02913	3.3
65.03934	3.5
67.05511	100.0
69.03419	4.4
69.07078	15.2
69.31034	9.0
71.05009	12.4
73.02923	2.0
79.05499	49.2
81.03419	6.9
81.07064	59.8
83.05001	6.2
83.08637	14.2
85.02908	7.0
85.06530	4.0
87.04476	52.5
89.06046	1.2
91.03967	1.2
91.05495	24.4
93.07052	44.0
95.04954	7.6
95.08614	39.3
97.02911	3.8
97.06533	3.8
97.10181	19.4
99.04473	14.2
100.93350	1.2
105.07033	15.9
107.04965	1.9
107.08611	24.2
109.06525	4.5
109.10168	51.0
109.48252	1.2
111.04456	3.4
111.08116	2.8
117.07017	7.0
119.08588	13.5
121.06519	1.4
121.10149	18.1
123.08112	1.4
123.11709	6.0
124.60593	1.2
125.09636	15.8
129.06998	2.9
131.08585	9.6
133.10159	8.3
135.11697	9.9
137.09645	4.4
143.08539	2.1
143.10651	1.5
145.10133	10.1
147.11700	6.9
149.09636	1.9
149.13255	5.3
155.10629	3.1
157.10130	1.9
159.11713	5.0
161.13283	3.9
163.11180	4.3
163.13387	1.1
163.14828	3.3
171.11658	1.2
173.09541	2.6
173.11740	18.1
173.13284	4.9
175.14851	1.6
177.12769	1.5
181.12256	1.4
184.07384	2.7
185.13214	2.5
187.14816	3.0
189.11055	1.7
190.07150	1.2
191.10596	2.4
193.12274	2.2
199.13301	11.7
199.14937	1.8
211.13208	1.2
217.14444	1.8
222.82677	1.1
227.12730	6.1
229.14378	38.1
241.14333	2.8
243.21127	4.1
257.13840	1.5
259.20660	1.9
261.22287	11.1
267.15869	5.3
299.23651	1.7
309.22137	1.2
315.18057	8.4
317.24872	3.1
333.18832	1.9
335.25848	58.6
363.25156	4.1
459.34915	2.1
470.22131	1.3
477.35852	21.4
489.35818	38.7
543.36591	2.9
561.37708	2.8
575.38971	3.8
593.40253	2.8
713.76361	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.8
55.05275	2.6
55.05516	31.1
55.11843	2.7
57.03433	11.2
57.07059	5.1
65.03943	2.6
67.05180	4.2
67.05513	60.8
69.03430	5.2
69.07090	15.4
70.81467	2.7
71.04977	7.5
71.24787	4.5
79.05067	3.3
79.05503	51.8
81.03426	48.1
81.07061	54.3
83.04968	5.9
83.08630	20.6
85.02911	5.3
91.04916	3.0
91.05485	53.7
93.07050	51.3
95.04985	17.0
95.08607	32.1
97.06513	6.5
97.10154	11.8
99.08133	2.7
105.07040	40.4
105.14002	2.8
107.04941	9.7
107.08595	23.7
109.06527	6.0
109.10141	16.0
111.04475	2.4
111.08081	7.1
115.05434	3.8
117.07026	19.6
119.08598	46.6
121.06523	2.5
121.10136	27.3
123.08059	6.2
123.11730	4.2
125.09628	10.5
128.06218	2.7
129.07043	13.9
131.08580	27.7
133.10149	27.0
135.08058	6.1
135.11684	13.0
137.09596	3.1
141.06979	4.0
142.07730	4.4
143.08563	15.1
145.06476	3.5
145.10121	19.7
147.08040	6.2
147.11690	21.5
149.09598	6.9
149.13298	6.3
155.08533	10.0
157.10144	16.9
159.11725	17.8
161.13266	10.2
163.11162	5.7
165.12828	3.3
169.10110	8.6
171.11726	14.7
173.09602	3.4
173.13266	10.1
175.11267	2.9
181.10262	2.9
183.11679	8.5
185.13194	12.4
187.14848	5.4
189.11237	5.2
193.12263	5.7
195.11635	3.6
197.13304	4.3
199.14708	3.0
209.13161	5.1
227.12762	8.7
239.14690	2.9
241.19463	7.6
259.20627	18.9
267.15991	20.6
275.19861	2.6
299.23605	6.8
315.23065	2.9
318.17651	2.6
333.24213	12.0
403.24399	3.1
421.25919	6.2
433.31097	14.4
435.27106	6.9
451.32193	13.9
469.33145	6.1
507.34476	4.0
515.35486	3.0
517.35266	6.3
525.35724	60.7
526.35468	3.0
543.36853	100.0
544.37091	7.0
557.38422	5.7
575.39581	15.1
790.39941	3.9
791.36194	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	790.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.9
55.05523	22.0
57.03440	18.3
61.02928	3.9
65.03939	4.8
67.05515	100.0
69.03424	9.9
69.07075	22.5
69.68872	6.9
69.69280	11.5
71.05003	7.7
79.05063	4.9
79.05502	72.8
81.03426	12.2
81.07069	80.5
81.47928	2.9
83.05003	16.7
83.08649	15.3
85.02907	6.4
85.06529	7.2
91.05492	50.4
93.07055	79.3
95.04959	17.1
95.08622	55.0
97.02896	9.2
97.06532	9.8
97.10164	7.5
99.04469	3.6
104.17475	2.9
105.07037	38.0
107.04960	10.9
107.08602	42.9
109.06500	5.6
109.10159	33.0
110.69506	2.9
111.04475	14.0
113.05974	3.2
117.07024	15.5
119.08597	30.4
121.06510	4.7
121.10162	30.4
122.80527	2.9
123.08060	4.8
123.11707	5.5
125.05958	3.9
125.09648	6.4
127.03964	4.4
129.07018	7.3
131.08591	25.1
133.10114	21.9
135.08093	3.6
135.11705	20.1
137.09598	3.3
139.11197	6.5
143.08537	6.3
145.10150	23.6
147.08041	5.4
147.11697	13.1
149.09612	10.5
149.13304	9.5
155.08600	4.6
157.10158	6.0
159.11684	10.4
161.13286	4.3
163.11180	9.2
167.10754	3.6
169.10139	3.3
171.11725	7.3
173.09628	6.0
173.11826	3.6
173.13322	7.5
175.14868	4.2
181.12260	4.7
184.07431	5.2
185.13361	4.1
189.11237	3.2
191.10594	7.9
209.11757	29.7
227.12770	11.1
229.14363	8.6
241.14418	6.7
261.22189	13.5
275.20322	3.2
283.15472	15.4
301.16519	26.4
303.23065	3.8
315.17926	3.3
335.25864	60.3
363.73761	3.0
433.31097	3.4
469.32959	7.0
487.33679	4.0
489.35495	3.8
501.35651	6.4
525.35919	5.9
527.66656	2.9
543.36780	40.8
561.37982	30.2
575.39374	6.8
790.40979	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	790.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.5
55.05516	38.2
55.05788	2.2
57.03442	18.1
57.07071	2.8
59.05007	34.1
61.02929	4.3
65.03943	3.2
67.05511	100.0
68.05817	1.5
69.03452	6.7
69.07071	18.2
69.68512	7.9
71.05005	14.1
73.02964	1.4
79.05502	50.4
79.05974	2.8
81.03426	9.1
81.06580	2.9
81.07063	60.4
82.84256	1.2
83.04983	7.3
83.08633	16.2
85.02905	8.8
85.06564	3.7
87.04479	49.2
88.75024	1.3
91.05486	30.7
93.07055	47.7
94.07351	1.9
95.04969	7.2
95.08615	40.0
97.02888	5.2
97.06541	3.9
97.10187	18.5
98.20817	1.5
99.04473	15.0
101.05997	1.4
105.07024	18.5
107.04970	3.0
107.08599	24.7
109.02843	1.3
109.06521	2.1
109.10170	61.5
111.04452	2.6
111.08113	4.0
113.06049	1.5
115.05507	1.2
117.07050	8.5
119.02870	1.2
119.08588	17.8
121.06548	1.4
121.10163	20.8
123.08089	1.7
123.11713	5.3
125.09641	15.1
127.03917	2.9
129.07002	2.2
131.08572	11.0
133.10146	8.7
135.08037	2.1
135.11708	13.6
137.09631	3.1
145.10130	10.3
147.11687	5.5
149.09698	1.8
149.13274	4.9
153.12782	1.7
155.10698	4.6
157.10141	3.7
159.11758	6.1
161.09631	1.3
161.13277	4.1
163.11208	3.7
163.14815	2.3
167.65337	1.2
171.11751	1.4
173.11761	18.8
173.13301	4.0
175.14796	1.7
179.14232	1.5
181.12312	1.7
184.07393	7.5
187.15013	1.5
189.11188	1.6
191.10716	1.9
193.12294	2.1
199.13316	8.3
219.17426	1.7
223.13345	1.7
223.65926	1.3
227.12782	5.7
229.14374	42.2
241.14398	4.4
243.21175	3.2
257.13882	1.8
259.20569	1.4
261.22141	13.1
267.15912	5.6
273.76349	1.5
275.20044	1.8
276.20691	1.7
277.21655	1.7
282.47836	1.2
315.18042	5.0
317.24878	3.1
333.19040	2.1
333.24289	1.7
335.25842	60.5
336.26227	2.5
363.25244	4.0
372.78537	1.6
477.36063	11.0
489.35779	46.0
490.35855	2.2
543.36694	2.9
610.45477	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	18.5
55.05274	3.3
55.05518	40.1
57.03445	24.7
57.07072	4.1
59.05001	2.3
61.02922	4.9
63.27138	2.2
65.03941	5.3
67.05515	100.0
67.05878	4.8
69.03436	16.1
69.06734	2.6
69.07079	44.3
71.01363	6.1
71.05003	12.0
71.55398	3.4
77.10950	2.1
79.05502	80.8
80.65139	2.2
81.03427	72.6
81.07066	89.2
83.04992	26.3
83.08629	30.2
85.02911	25.6
85.06526	7.4
86.09669	2.4
91.05492	98.0
93.07057	71.9
95.04985	38.8
95.08620	50.1
97.02911	14.6
97.03423	2.3
97.06548	22.9
97.10168	10.2
99.04494	3.1
99.08078	4.1
105.04531	2.6
105.07053	64.4
107.04961	21.7
107.08614	39.9
109.02889	3.2
109.06528	13.6
109.10162	39.2
111.04472	4.7
111.08090	17.2
115.05458	4.9
117.07036	18.4
119.08594	49.1
121.06490	5.8
121.10163	27.3
123.08083	6.7
123.11700	5.3
125.05986	2.8
125.09641	9.5
127.07538	2.3
128.06201	2.9
129.05466	7.0
129.07014	19.6
131.08583	33.3
133.06509	5.4
133.10152	50.5
135.08043	8.2
135.11707	10.9
137.09645	16.0
137.10553	2.5
142.07779	4.3
143.08551	7.0
145.10155	21.9
147.08063	7.3
147.11703	25.6
149.09616	20.0
149.13217	5.2
151.11168	7.3
153.12802	2.8
155.08528	4.5
157.08833	4.2
157.10138	18.0
159.11673	9.2
161.09644	4.7
161.13268	9.0
163.11214	17.4
163.14850	2.7
169.10109	3.5
171.11685	7.4
173.09625	4.5
173.11769	6.3
173.13220	5.0
175.11203	17.4
177.12773	2.7
183.11710	2.8
184.07376	2.9
187.11166	2.6
189.11182	5.3
191.10767	2.6
193.12273	45.8
195.13838	3.6
197.13249	4.9
199.13269	3.5
209.11688	2.9
211.13312	47.5
227.12759	9.5
229.14369	8.6
239.17889	3.8
245.18819	3.2
247.20836	4.0
253.14354	15.9
255.15918	4.3
257.19028	7.5
259.20599	7.5
267.15936	32.9
268.16193	2.4
269.17468	5.8
273.18619	5.5
275.20117	29.7
283.15411	8.0
285.17023	42.1
291.19559	9.7
293.21115	4.3
299.15027	10.6
301.16486	11.1
333.24158	5.3
347.21982	2.4
349.23798	32.9
365.23071	8.1
367.24548	2.5
381.23007	4.2
439.26938	8.3
463.31177	3.4
465.29565	2.6
477.28851	3.1
495.29950	4.2
541.35101	6.8
557.34631	17.0
558.34918	3.0
559.36401	22.6
575.35956	13.5
593.35956	2.8
653.06805	2.9
791.40527	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	790.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	12.7
55.05515	48.0
57.03440	17.0
57.07080	2.4
59.04984	3.2
61.02925	5.7
65.03954	4.2
67.05508	62.4
69.03426	11.4
69.07076	24.6
71.04987	6.5
73.02915	3.3
79.05498	58.5
81.03423	72.3
81.07062	100.0
83.04986	30.0
83.08623	35.2
85.02909	26.3
85.06528	4.3
91.05486	68.9
93.07053	47.3
95.04975	41.1
95.08608	27.5
97.02887	7.7
97.06534	13.1
97.10181	28.1
99.04453	3.3
99.08097	4.3
105.04522	2.6
105.07043	50.4
107.04959	18.8
107.08602	29.9
109.02829	2.6
109.06533	16.3
109.10155	13.8
110.76347	1.6
111.04448	14.1
111.08094	15.5
113.06022	3.2
115.05482	4.0
116.06171	2.1
117.07016	17.7
119.04899	2.3
119.07793	3.4
119.08598	39.8
121.06509	12.4
121.10159	20.9
123.04417	1.8
123.08080	27.4
123.11713	3.8
125.05987	2.4
125.09649	23.8
128.06302	1.8
129.07027	17.0
131.08594	30.0
133.06500	7.6
133.10144	20.4
135.08096	10.6
135.11661	10.0
137.09619	7.0
142.07800	5.0
143.08592	9.1
143.10631	2.7
145.06453	2.3
145.10146	19.4
147.08075	12.0
147.11705	20.1
149.09650	16.2
149.13246	2.2
153.09123	3.2
153.12769	5.0
157.10126	21.9
159.07999	2.5
159.11702	4.4
161.09579	10.8
163.11197	23.3
165.09143	5.1
165.12770	4.3
169.10106	1.9
171.10194	2.8
171.11711	5.7
173.09637	5.6
173.13287	2.2
175.11215	18.0
181.12286	5.1
184.07346	2.5
185.13184	2.4
187.11209	2.5
189.09474	2.6
189.11208	20.3
191.10643	8.3
193.12254	45.6
207.13773	1.9
209.11522	2.0
211.13309	65.5
211.15285	3.8
212.13646	2.8
219.13760	2.2
223.13309	5.8
227.12784	29.4
227.17804	3.4
245.19040	6.1
249.14954	2.4
255.17464	3.5
267.15903	30.6
273.18515	36.3
274.19150	1.8
275.20206	1.9
283.15445	5.7
285.10077	3.9
285.16986	70.6
291.19565	77.6
309.20438	8.8
310.21246	1.8
321.63876	2.0
331.22668	1.8
347.22299	12.1
365.23254	37.7
383.24396	14.3
427.17944	2.8
455.26440	2.9
465.29782	2.9
477.28622	2.1
483.31442	2.8
493.27917	2.6
539.33929	8.2
557.34766	36.3
575.27234	3.4
575.35822	52.2
576.35864	3.9
593.36810	31.4
790.42535	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	789.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	13.4
55.05517	19.5
57.03450	8.3
57.07080	1.6
65.03928	3.6
67.05508	50.6
69.03422	2.4
69.06730	1.8
69.07072	25.5
71.04971	1.9
71.55184	1.4
79.05075	2.6
79.05502	43.3
80.81715	1.2
81.03405	4.3
81.07060	62.7
82.07397	1.7
83.04973	5.3
83.08636	7.3
85.06557	1.4
86.09699	2.4
91.05482	46.7
93.06478	2.6
93.07051	45.7
95.01327	5.4
95.04967	6.5
95.08613	42.8
97.06540	18.7
97.10153	4.3
99.08090	1.6
103.05454	1.7
105.07037	57.2
107.04953	9.5
107.08598	21.2
109.06504	5.4
109.10162	11.7
111.08085	3.8
113.09771	1.3
115.05441	1.9
117.07049	12.9
117.88039	1.4
119.08587	30.5
120.08832	1.3
121.06492	2.8
121.10148	13.4
123.04451	1.4
123.08071	4.5
123.11710	3.7
124.99976	1.6
125.09642	3.2
127.07546	1.4
129.07022	3.4
131.08578	20.6
133.10139	29.9
135.08026	3.8
135.11691	8.5
137.09680	1.8
139.07568	1.6
143.08548	2.6
145.06526	1.4
145.10114	11.0
147.11720	11.1
149.09624	5.3
149.13223	3.2
151.11227	2.3
157.10110	2.3
159.11722	7.4
161.13274	5.1
163.11163	2.9
169.10095	1.6
171.11670	1.9
173.13255	4.9
177.12679	1.5
179.14328	9.0
183.11693	2.0
184.07323	10.5
185.13216	1.6
187.11276	1.9
187.14784	1.7
197.13219	1.4
201.16394	1.4
219.17445	16.5
257.19031	5.5
275.20074	59.7
293.21252	4.0
335.25812	84.5
336.26123	3.2
349.23764	20.3
355.47995	1.5
609.45172	100.0
610.45111	3.8
627.45447	1.6
776.00006	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	15.8
55.05516	34.6
56.97539	3.3
57.03444	19.2
61.02917	10.9
65.03961	7.7
67.05510	91.6
69.03432	12.5
69.07075	30.2
75.56755	3.8
79.05502	78.2
81.03434	19.2
81.07063	100.0
83.04977	13.9
83.08614	16.1
85.02919	12.6
85.06531	4.9
89.18627	3.6
91.05484	80.0
91.59663	3.5
93.07051	85.1
95.05007	17.2
95.08619	66.5
97.02901	11.6
97.06538	15.3
97.10197	5.1
99.04434	7.2
105.07038	54.8
107.04977	7.4
107.08601	47.2
109.02902	6.8
109.06544	8.0
109.10158	37.0
117.07029	27.9
119.08592	54.8
121.06555	6.8
121.10155	28.0
123.08038	4.9
123.11720	7.8
125.09605	4.2
127.03938	5.2
128.06258	4.7
129.07013	13.7
130.07808	4.4
131.08594	31.8
133.06496	3.7
133.10130	39.4
135.08089	6.4
135.11714	15.2
143.08562	12.3
145.10106	28.0
147.11694	26.7
149.09682	7.5
149.13298	11.8
151.11208	5.0
155.08606	3.9
157.10165	11.5
159.11705	12.5
161.13295	6.9
163.11185	5.1
169.10143	5.3
171.11705	11.2
173.09523	4.7
173.13307	9.8
175.14842	4.6
176.02032	4.0
177.12764	3.8
183.11731	5.7
184.07423	11.0
185.13271	5.6
195.13475	3.5
197.13330	5.4
219.17450	10.4
253.14435	5.9
257.18951	5.7
261.22198	9.0
267.15891	4.6
275.20096	55.8
331.22806	3.9
335.25842	68.4
337.27570	8.8
347.22372	5.3
349.23730	31.5
368.30893	4.7
390.31891	3.8
529.38531	12.6
609.45258	39.8
627.46173	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	788.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	13.7
57.03444	8.3
64.52089	1.6
65.03944	2.7
67.05175	2.7
67.05511	40.3
68.05843	2.1
69.03430	6.2
69.07080	11.8
69.57250	2.9
69.57657	9.8
71.05003	3.3
72.45999	1.8
79.05499	39.9
81.03422	40.2
81.07059	40.7
82.07407	2.1
83.04984	6.4
83.08623	14.9
83.73853	1.7
85.02914	7.9
85.56100	1.7
86.09729	1.5
91.05485	28.3
93.07048	33.1
94.07417	1.8
95.04979	13.5
95.08607	24.0
96.08911	1.8
97.02906	4.3
97.06532	4.4
97.10175	2.9
105.07044	20.2
107.04964	5.0
107.08604	15.9
109.02845	2.4
109.06517	3.9
109.10192	8.7
111.04467	1.9
111.08097	4.9
117.07031	6.4
119.08583	16.8
121.06525	2.6
121.10145	16.2
123.08036	2.1
123.11653	3.3
129.05489	1.9
129.07001	5.3
131.08574	11.6
133.06619	1.5
133.10121	8.3
135.08069	2.1
135.11688	7.0
137.09644	2.1
143.08580	2.3
145.10153	5.8
147.08067	2.7
147.11711	8.2
149.09648	3.5
149.13258	2.2
157.10101	5.3
159.11700	1.7
165.12737	2.1
173.13232	2.5
175.11182	9.3
189.12724	1.7
193.12230	15.2
211.13313	19.7
227.12769	3.3
229.14265	1.8
261.22079	3.8
267.16022	13.3
273.18469	1.9
274.19006	3.5
285.16895	3.8
287.20416	1.8
335.25833	20.7
336.26251	4.9
429.21088	4.6
527.37018	7.9
545.38416	100.0
546.38495	5.8
609.43951	2.0
626.45038	2.8
676.08679	1.7
689.42365	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	788.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.4
55.05515	25.6
57.03448	6.1
57.07086	2.5
59.05003	2.8
61.02923	2.1
61.62554	1.2
65.03953	3.4
67.05511	66.0
67.14956	1.1
69.03433	9.8
69.06727	1.9
69.07078	32.9
71.05000	25.2
72.26696	1.2
73.93317	1.4
79.05498	33.4
81.03422	7.7
81.07063	99.7
82.07383	1.9
83.04977	5.4
83.08631	13.6
85.02901	3.3
85.06557	6.3
86.09708	1.6
87.10444	1.2
91.05487	35.7
93.07053	29.8
95.01350	1.3
95.04980	8.5
95.08613	15.8
97.02904	12.9
97.06536	8.5
97.10181	14.2
98.21535	2.8
99.04462	1.8
99.08056	2.1
105.07039	20.5
107.04949	5.7
107.08611	20.1
107.79874	1.5
109.02842	1.5
109.06513	4.6
109.10157	13.6
111.08134	3.3
117.07014	7.2
119.08591	12.5
121.06544	3.1
121.10159	7.3
123.08047	4.6
123.11710	10.8
125.09620	8.9
129.07014	3.0
131.08574	12.3
133.06534	2.4
133.10144	20.9
135.08081	4.1
135.11697	4.4
137.09650	2.8
139.07388	1.3
143.08554	5.6
145.06497	1.7
145.10135	6.1
147.08028	5.4
147.11682	3.4
149.09642	1.5
149.13284	5.7
151.11223	5.8
153.09093	1.5
157.10136	3.0
159.11699	6.5
161.09671	3.0
163.11182	1.8
169.10118	1.6
169.12292	1.7
171.11737	3.2
175.11220	2.0
177.12730	4.1
183.13766	2.1
184.07394	3.3
187.13310	4.4
189.11238	4.9
195.13823	3.7
205.12234	2.1
223.13306	19.0
225.14810	2.1
227.12788	6.8
245.43695	1.3
249.14894	3.0
253.14253	1.6
257.17352	1.9
269.17505	9.8
273.18500	12.9
291.19562	90.4
292.19385	2.3
301.20038	20.5
309.20639	1.7
347.22205	2.3
365.23203	20.2
410.55460	1.3
461.28992	2.0
466.36450	1.6
515.33624	5.7
533.34802	100.0
534.35089	6.0
541.35309	2.7
547.36432	17.3
559.36334	51.8
560.36542	2.5
591.30139	2.1
591.38928	30.0
592.39233	1.7
643.20258	1.5
705.23785	1.4
714.60040	1.6
719.18323	1.3
788.49231	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	7.2
55.05259	1.2
55.05514	11.0
56.96552	0.9
57.03437	7.4
60.27938	0.9
61.02922	1.4
65.03932	1.8
67.05508	20.4
69.03435	2.2
69.07069	16.4
71.04998	2.4
79.05059	1.7
79.05495	18.6
81.03419	36.6
81.06581	1.9
81.07060	34.2
83.04994	5.1
83.08622	10.7
85.02913	1.8
85.06517	1.2
91.05484	30.6
92.05807	0.9
93.07049	19.1
95.01327	4.4
95.04974	12.9
95.08617	15.7
97.02883	2.1
97.06540	9.9
97.10182	2.1
99.08109	1.1
103.05478	1.8
105.07033	36.4
107.04967	8.4
107.08601	9.2
109.06512	3.7
109.10164	6.3
111.04479	1.6
111.08120	4.1
115.05521	1.1
117.07032	7.2
118.06551	3.4
119.04968	1.0
119.08579	21.0
121.06490	2.7
121.10159	7.0
123.04479	1.3
123.08076	3.0
123.11707	1.1
125.09630	1.5
129.06999	5.3
131.08565	13.7
132.08975	0.9
133.06549	1.6
133.10135	19.8
133.11090	1.4
135.08058	1.9
135.11693	3.8
137.09651	2.0
141.06950	1.4
142.07881	0.8
143.08589	3.1
145.06491	1.7
145.10138	8.0
147.04411	1.0
147.08073	1.4
147.11696	10.3
149.09613	5.1
149.13293	2.0
151.11179	1.7
155.08595	1.5
157.10115	4.9
159.08080	1.4
159.11687	5.2
161.13298	2.0
162.09178	3.0
163.09886	1.3
163.11217	2.3
165.12714	1.5
169.10152	1.9
171.11659	2.3
173.13269	1.7
175.11264	4.0
175.14796	0.8
177.12784	1.6
179.14330	3.6
183.11696	1.2
184.07332	0.9
185.13338	1.2
187.11151	1.4
193.12234	6.5
197.13171	1.2
199.37679	0.8
202.15947	1.1
211.13338	3.0
219.17465	2.4
229.06075	0.9
230.15387	6.3
242.80360	1.0
247.20604	1.6
257.19070	3.6
267.15921	37.6
275.20071	25.9
276.20364	1.1
285.16998	2.9
292.19077	14.0
293.21121	1.7
308.45056	0.9
348.22134	1.0
349.23764	21.0
352.86127	1.0
461.28632	0.9
463.14456	1.8
464.14700	1.5
510.27203	1.5
514.35864	1.1
528.37671	0.9
541.35272	100.0
542.35516	6.2
559.36249	3.5
608.43994	1.6
626.44519	3.4
682.65393	0.9
779.75330	1.2
788.50226	15.6
789.39575	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	5.2
55.05272	2.1
55.05519	30.2
57.03441	11.2
57.07069	2.4
57.85461	1.0
59.04988	1.2
61.02935	6.0
62.60977	1.1
65.03940	4.3
67.05510	66.7
69.03430	5.7
69.07072	21.0
69.20228	1.0
69.39619	8.7
70.08183	1.0
71.04990	3.5
77.03925	2.1
79.05497	54.4
80.05808	1.2
80.10931	0.9
81.03415	6.9
81.07063	60.7
83.04982	6.4
83.08626	12.0
85.02918	5.3
85.06524	3.3
91.03940	2.4
91.05487	64.9
93.07050	56.1
95.04959	9.0
95.08610	45.0
97.02893	5.6
97.06554	6.9
97.10187	7.6
97.47355	1.1
98.20781	2.5
99.04463	1.4
99.08092	1.5
103.05495	3.0
105.04543	2.6
105.07037	46.8
107.04967	4.8
107.08603	28.0
109.02845	2.2
109.06552	6.6
109.10156	16.8
111.08123	2.7
115.05472	7.5
116.06241	3.0
117.07030	29.0
119.04921	1.2
119.07799	1.9
119.08585	27.6
121.06563	5.6
121.07278	1.0
121.10147	17.1
123.07238	1.4
123.08052	7.3
123.11694	2.9
125.09644	4.4
125.16437	1.0
127.03909	2.8
128.06244	15.9
129.07010	19.8
130.07796	8.0
131.08575	53.9
133.06496	6.5
133.10138	13.9
135.08101	4.5
135.11688	10.5
137.05830	1.2
137.09625	2.5
139.11143	1.4
141.07011	8.5
142.07808	6.0
143.08569	54.1
144.09334	1.6
144.12376	1.0
145.06470	1.7
145.10133	57.6
145.11284	2.8
147.08043	6.1
147.11691	11.4
149.09593	3.2
149.13275	4.7
151.07657	2.2
151.11229	1.6
153.07072	2.1
154.07787	1.7
155.06093	1.4
155.08560	5.8
157.06491	1.1
157.10130	17.3
159.08072	3.6
159.11687	16.7
161.09605	9.2
161.13269	4.2
163.11241	4.7
165.07050	3.0
165.12830	1.5
166.07748	1.4
167.08591	4.3
169.10144	13.9
171.11717	12.0
173.09673	3.1
173.13263	4.0
175.11179	5.3
175.14888	1.8
177.12785	3.6
179.08655	1.7
181.10091	9.0
183.11696	7.4
184.37509	1.1
185.13300	6.1
187.11185	3.1
187.14841	2.0
189.11255	1.5
193.10193	1.4
195.11699	14.9
197.13237	1.9
199.11172	2.4
199.14847	2.9
201.12799	1.5
207.11761	1.4
208.12498	1.1
209.13249	2.7
211.14839	1.9
213.12750	3.3
223.13185	1.7
227.12802	1.4
227.17955	5.2
230.28192	1.0
237.16400	14.8
243.21011	1.4
245.19032	5.1
255.17455	14.0
257.19086	1.6
261.22195	4.9
273.18491	50.1
275.20108	2.1
291.19537	6.1
329.21112	5.1
335.25824	100.0
336.26181	4.4
347.22186	22.8
365.23514	1.8
407.21985	1.2
415.60901	1.1
607.43604	34.9
608.43561	1.7
625.44727	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	787.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	18.5
55.05516	45.8
57.03448	32.1
57.07072	6.8
61.02935	21.2
65.03953	8.3
67.05171	7.7
67.05513	100.0
68.73035	3.8
69.03430	22.0
69.07065	37.9
71.05007	12.7
71.55274	4.0
73.02922	15.4
74.95243	4.3
79.05507	79.2
81.03426	33.2
81.07072	96.7
83.04991	13.9
83.08637	21.7
85.02928	23.6
91.03935	6.8
91.05495	88.5
93.07050	82.5
95.04987	19.8
95.08607	67.7
96.14243	4.0
96.16795	5.3
97.02908	25.0
97.06544	29.1
97.10171	12.1
97.96917	4.4
99.04475	4.0
99.08102	6.0
99.28077	4.0
103.05470	4.6
105.07039	70.8
107.05003	7.1
107.08604	42.1
109.02906	6.7
109.06523	21.5
109.10168	33.8
117.07021	29.3
119.08604	50.5
121.06541	5.6
121.10137	28.3
123.08051	8.0
124.69559	4.2
125.09682	11.2
127.03870	8.0
128.06259	7.7
129.05531	7.9
129.07019	27.3
131.08591	47.2
133.06493	4.7
133.10143	33.1
135.08076	10.2
135.11708	17.6
137.09648	8.4
141.07016	13.1
142.07809	9.3
143.08559	31.3
145.06555	6.1
145.10135	44.6
147.11700	24.0
149.09650	11.1
149.13342	9.0
151.11235	5.7
155.08557	20.5
157.10138	37.0
159.08093	9.2
159.11736	31.7
161.09637	8.4
161.13263	11.9
163.11287	6.9
167.08580	15.2
168.09358	6.9
169.10197	28.9
171.11653	24.0
173.09792	5.0
173.13272	14.8
175.14825	5.9
179.08691	6.1
181.10152	19.9
183.11729	28.2
185.13277	20.2
187.11179	7.0
187.14781	8.5
189.12804	5.8
193.10205	7.0
195.11729	19.6
197.13300	18.1
199.14932	6.9
207.11768	6.8
209.13248	12.9
211.14752	8.0
215.09341	5.3
221.13327	10.4
223.14952	8.1
227.12767	6.8
227.20148	6.6
235.14793	10.6
239.18056	5.3
259.20609	10.0
263.17953	6.0
273.18613	7.6
275.20126	18.8
325.21561	7.1
333.24411	9.6
335.25940	11.3
349.23666	5.1
513.35571	20.5
515.38947	10.8
527.37335	6.7
539.37097	6.8
541.39063	12.2
551.41718	5.6
553.38971	13.0
567.40063	5.4
582.15912	4.9
607.43677	68.6
608.43781	7.7
625.44696	95.9
626.44598	7.2
733.46851	7.4
769.48438	12.5
787.49792	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	787.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	17.8
55.05276	2.7
55.05515	40.7
57.03446	15.6
57.07067	7.6
59.05018	4.0
61.02929	19.9
65.03944	6.1
67.05510	100.0
69.03436	19.1
69.07076	33.5
69.72001	2.4
69.80797	5.4
69.81203	7.6
71.01360	3.2
71.04982	8.5
73.02903	8.5
79.05068	4.8
79.05500	75.1
81.03420	29.1
81.07064	89.4
82.07412	3.2
83.04980	12.1
83.08637	20.4
85.02927	24.5
85.06558	5.9
91.03951	10.2
91.05488	82.4
92.05853	2.8
93.07049	69.2
94.07399	2.9
95.04976	19.5
95.08053	4.3
95.08612	54.4
97.02908	22.0
97.06509	16.8
97.10164	14.6
99.04468	4.5
99.08089	4.0
105.04545	2.9
105.07034	63.5
107.04929	7.9
107.08601	46.8
109.02888	5.7
109.06518	11.0
109.10172	39.6
111.08067	8.1
115.05494	6.5
117.07015	29.2
119.08588	52.4
119.41339	2.5
121.06496	6.5
121.10163	29.2
123.08057	6.5
123.11709	6.9
125.09637	14.2
127.03912	7.4
128.06210	7.1
129.07022	22.0
131.08568	44.0
133.06512	3.8
133.10133	37.0
134.04936	2.4
135.08109	6.0
135.11668	16.5
137.09613	4.8
141.06985	10.3
142.07770	4.8
143.08542	25.3
145.06544	5.5
145.10124	37.8
147.08049	3.7
147.11687	24.9
149.02344	5.5
149.09618	8.9
149.13255	8.2
153.06970	3.2
155.08582	19.6
157.10156	27.2
158.10876	3.4
159.08058	3.5
159.11696	26.5
161.09660	5.1
161.13287	13.5
163.11221	5.2
163.14842	3.3
165.06961	3.8
167.08598	8.7
168.09369	5.2
169.10153	26.6
169.15790	2.3
171.11705	19.9
173.04503	3.7
173.13243	17.1
175.11221	5.3
175.14828	3.2
179.08585	3.2
181.10115	11.0
183.08014	2.6
183.11687	19.1
184.07353	3.6
185.13269	15.9
187.11128	3.7
187.13254	4.3
187.14778	6.0
189.11191	6.3
189.12799	3.8
193.05020	5.2
193.10214	5.7
193.12085	3.3
195.11665	13.3
197.09598	2.5
197.13297	13.1
199.14828	9.4
201.12788	3.0
201.16364	6.0
207.11673	6.7
209.13251	9.9
211.14809	9.7
213.12865	2.6
213.16483	5.7
215.17950	4.0
221.13332	5.5
223.14931	4.8
225.16434	5.4
227.12755	8.3
227.18019	3.4
229.14337	8.5
233.13283	3.3
235.14877	4.5
237.16408	4.9
239.14296	3.1
239.17979	3.6
241.19598	5.9
250.87338	2.5
251.17938	2.8
253.19444	3.8
257.18985	11.4
259.20621	11.3
267.15924	3.4
271.20520	3.2
273.18552	8.8
275.20093	17.0
277.21634	4.2
285.22171	3.2
291.19635	7.3
301.21811	3.8
333.24423	6.9
335.25916	16.6
336.26135	3.7
349.23706	5.9
379.29932	3.5
421.31195	4.3
439.32147	3.0
489.35629	3.0
495.34793	3.7
513.03796	3.0
513.35748	26.7
515.37982	8.6
527.37213	9.3
533.40125	12.2
551.40991	3.7
597.45300	3.3
604.71808	2.8
607.43616	59.9
625.44647	94.6
626.44897	8.7
751.46515	4.3
769.47943	3.6
787.49811	18.9
788.46082	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	787.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.9
55.05516	49.2
57.03444	11.7
57.07067	2.6
59.05010	2.6
61.02929	9.1
61.17937	1.5
65.03938	6.2
67.05509	76.7
69.03434	6.8
69.07074	23.5
69.98962	5.3
71.04984	5.0
73.02927	3.0
75.27893	1.4
79.05499	66.5
81.03409	8.3
81.07063	80.7
83.04975	6.2
83.08623	15.1
85.02922	9.9
85.06551	3.9
91.05486	90.3
93.07049	70.8
95.04970	10.2
95.08614	57.2
97.02887	4.4
97.06551	7.8
97.10173	11.1
98.21362	2.2
99.04497	1.9
99.08118	1.8
103.05474	8.3
105.04518	2.5
105.07037	71.6
107.04976	6.9
107.08600	34.5
109.02842	1.9
109.06528	11.8
109.10159	16.6
111.08078	6.7
115.05450	10.9
116.06230	5.9
117.06221	3.0
117.07030	49.9
119.04980	2.8
119.07803	2.6
119.08595	35.3
121.06512	7.6
121.10149	21.8
123.08096	9.8
123.11732	3.9
125.09631	4.9
127.03915	2.9
128.06227	30.5
129.05511	1.8
129.07016	33.0
130.07800	15.9
131.08582	97.8
133.06548	8.1
133.10132	25.0
134.52725	1.5
135.08037	6.0
135.11713	13.9
137.09589	2.2
139.11211	3.1
141.06978	13.7
142.07809	8.9
143.08572	100.0
144.09341	3.0
145.06483	6.1
145.10130	94.8
146.10497	1.6
147.08066	13.9
147.11705	11.5
149.09604	4.8
149.13237	6.3
151.07541	2.7
151.11241	2.4
153.06993	1.8
154.07661	1.5
155.06026	2.1
155.08554	10.2
156.09366	1.8
157.10141	25.8
159.08075	6.5
159.11697	21.2
161.09657	13.0
161.13304	5.2
163.11212	5.8
165.06969	5.3
166.07808	2.0
167.08540	3.9
169.10135	16.7
171.07993	2.7
171.11697	22.2
173.09669	3.8
173.13254	5.8
175.11203	6.3
175.14853	2.3
177.12749	5.0
180.09370	3.5
181.10120	14.8
182.10919	1.8
183.11739	12.4
185.09596	2.7
185.13316	9.3
187.14777	3.4
193.12111	1.6
195.11685	23.6
197.13312	3.6
199.11226	2.4
201.12724	2.2
203.14305	2.0
205.12334	1.6
207.11751	1.8
209.13254	5.1
211.14922	1.8
213.12784	5.4
227.17995	5.9
237.16385	22.5
241.14330	3.4
243.20909	1.4
245.19092	5.5
255.17441	24.1
256.17804	1.5
261.22147	4.8
267.15945	3.4
273.18515	70.9
291.19543	4.6
329.21207	7.3
335.25818	94.3
336.26108	3.4
347.22211	33.0
365.23099	2.1
527.37085	2.4
529.38916	1.8
567.04059	1.8
607.43610	43.3
608.43555	2.2
625.44153	4.4
671.67639	1.6
787.47888	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	22.5
56.50255	8.3
57.03420	12.3
57.50121	8.1
66.31728	7.7
67.05511	40.9
69.07061	10.6
69.27290	17.9
69.27698	62.3
79.05486	34.5
80.25389	7.9
81.07061	65.3
91.05495	44.3
93.07049	37.8
95.08604	24.1
105.07036	23.7
107.08628	13.8
107.29173	9.6
109.10123	19.1
117.06993	13.7
119.08588	17.5
121.10233	14.3
128.17310	8.4
131.08557	15.8
133.10167	12.7
139.72453	11.8
143.08559	18.3
145.10172	26.8
167.21182	8.8
270.64804	10.6
273.18399	15.3
301.20313	14.5
335.25970	46.0
343.45285	8.1
359.99872	9.8
503.37427	100.0
561.41101	30.7
606.42230	10.5
607.43164	15.0
727.84180	8.7
728.45172	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	787.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	2.2
57.03450	2.6
57.89600	1.8
58.89840	1.4
61.02932	2.7
65.03938	3.8
67.05500	4.2
69.03419	4.8
69.07069	3.4
71.55597	2.4
79.05493	4.4
81.03419	5.6
81.07044	5.3
83.05012	2.3
85.02901	4.5
87.00876	1.8
91.03993	2.1
91.05493	9.3
93.07036	4.6
94.04163	2.3
94.06586	1.7
95.04984	2.7
95.08658	3.6
97.02896	3.1
105.07040	6.3
107.04950	3.1
107.08587	2.5
109.06454	2.1
109.10176	4.1
110.03748	1.7
112.32055	1.8
114.01812	1.5
114.71498	1.5
115.05469	2.9
115.39618	1.7
117.07003	2.0
119.04948	8.0
119.08620	2.3
121.02872	12.7
121.10118	3.0
122.03671	8.7
123.08068	2.0
127.03926	2.9
130.04134	2.3
131.04938	3.2
133.10178	4.4
137.05988	100.0
138.06291	2.1
139.04010	1.6
139.49042	1.5
141.01840	1.6
145.02913	2.4
145.06482	4.5
146.03677	2.0
147.04446	9.9
149.05962	2.8
151.03926	6.8
151.07608	2.5
151.88806	1.8
152.06244	1.9
153.01866	3.2
157.06502	1.7
158.03705	4.1
161.06003	10.1
162.06758	3.9
163.03941	3.6
165.01872	3.5
173.06006	7.3
177.05495	2.2
177.06955	2.8
178.07703	3.6
186.03181	7.3
189.05475	2.7
189.07002	4.9
199.07668	2.3
201.05492	60.6
203.06981	2.2
203.08745	2.2
205.06532	10.2
206.07324	9.5
213.05461	10.4
214.43263	1.7
215.03490	1.9
217.06548	5.7
218.07303	4.5
219.08105	2.6
221.06021	3.4
222.06746	3.2
223.07664	2.3
231.06499	6.4
233.05997	8.4
234.06801	31.6
235.07581	7.8
237.09126	4.7
239.06992	2.4
243.06560	6.0
244.05371	2.1
245.06001	7.8
246.06718	3.6
247.07759	2.7
248.08397	3.1
249.05455	4.3
249.09099	11.1
250.06311	9.9
251.07101	4.7
255.06595	3.3
256.07339	2.2
258.06604	1.9
259.07767	2.8
261.05542	3.6
262.03635	1.8
262.06253	34.6
263.07138	8.2
264.07861	3.8
265.08655	16.4
266.09329	2.7
267.06540	6.0
267.09100	2.4
271.06055	36.4
272.04315	2.0
273.05450	8.8
274.06155	5.5
276.07800	3.4
277.08597	35.0
278.05777	3.7
279.06577	7.5
279.10013	3.5
281.08157	2.2
281.11404	1.7
283.06036	41.8
284.06827	17.0
285.10416	3.0
287.07068	4.0
289.05032	3.2
289.13025	1.8
290.05759	42.5
290.08786	3.7
291.06503	3.0
292.07309	9.2
293.08069	20.2
294.08746	9.0
295.06042	57.1
295.09354	3.8
297.07611	11.9
297.10843	3.1
304.07379	2.6
305.08099	59.3
305.11514	3.8
306.08688	3.2
307.06027	6.9
307.09714	23.7
308.06711	2.1
309.07513	5.3
309.11145	3.3
310.08264	3.0
311.05469	2.0
313.07065	59.1
314.07465	2.5
319.09738	6.0
321.07565	3.6
322.08368	7.7
323.05667	3.9
323.09290	7.2
325.07278	3.9
325.10724	66.8
326.11121	2.3
337.07016	18.5
337.10757	62.0
349.10657	2.5
351.08472	2.3
355.11871	5.1
367.08032	4.9
367.11972	4.1
379.08078	7.8
397.09296	13.8
397.62125	1.8
415.10333	22.6
416.10464	2.0
433.11249	18.5
461.07285	1.7
475.26050	1.7
487.16275	9.6
517.16711	1.9
633.16125	3.3
637.17444	11.5
645.14758	2.0
755.62665	1.8
757.21277	99.2
758.22095	8.4
769.21826	12.0
787.22430	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	786.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	6.2
55.05503	9.8
57.03441	15.8
60.41165	1.5
61.02916	4.0
65.03940	2.5
66.31215	1.5
67.05521	7.8
69.03436	17.6
69.07075	24.2
69.27282	14.4
71.01349	5.4
71.04980	5.2
73.02907	6.7
73.06535	2.3
78.03447	7.8
79.05498	21.9
80.04990	2.2
81.03411	6.3
81.07066	10.9
83.04991	63.4
85.02917	29.9
91.05490	24.9
93.07061	20.0
95.01318	3.3
95.04989	12.2
95.08601	5.5
96.04510	2.0
97.02927	8.6
97.06544	57.7
99.00777	1.9
99.04475	14.0
101.02404	2.0
103.03925	2.6
103.05486	3.4
105.07040	60.7
106.02925	40.2
107.04972	8.6
107.08610	18.2
109.02891	4.6
109.06532	15.0
113.02368	4.3
113.05962	2.2
114.74436	1.7
115.03872	1.6
115.05461	4.8
117.05492	3.2
117.07021	14.7
119.04933	4.9
119.08589	9.2
121.06516	40.5
121.10174	5.8
123.08107	3.9
124.03054	2.3
124.03965	59.4
125.06004	100.0
127.03901	5.8
128.06273	2.4
129.05476	4.4
129.07004	5.4
130.07771	6.8
131.03407	3.1
131.08585	19.2
133.06494	12.5
133.10146	8.2
135.04393	3.1
135.08070	5.4
135.11671	4.4
136.07556	2.1
137.05984	9.7
140.10664	1.7
141.01836	4.2
141.06978	2.7
143.07057	68.3
143.08533	9.0
144.09334	5.2
145.04964	3.1
145.06508	9.4
145.10135	94.9
146.10493	2.0
147.04445	2.9
147.08046	5.3
147.11667	6.4
149.05986	3.2
149.09604	2.2
151.07573	11.1
153.05482	2.4
154.07756	3.8
155.08524	4.9
156.09384	2.0
158.07254	9.5
159.08043	11.0
159.11703	34.0
160.11588	1.6
161.06065	2.0
161.09641	3.2
161.13274	1.9
163.03932	2.0
163.07448	1.6
163.11195	14.9
169.10080	10.2
171.08070	2.8
171.11697	3.2
172.08830	5.9
173.09641	63.7
175.07509	3.6
177.12772	12.0
179.08537	2.3
180.06575	44.9
187.07565	2.7
187.11192	63.6
189.09096	2.1
189.12740	5.2
191.10686	31.3
197.09637	5.7
198.07642	24.3
205.12253	52.8
209.11713	7.5
215.10698	69.8
222.07687	2.1
233.09521	2.8
233.11760	40.9
251.12776	14.2
325.16458	8.5
356.09705	16.4
374.10846	54.2
376.60120	1.5
408.31293	1.7
415.17566	1.7
430.18689	2.6
448.19717	62.4
449.20419	1.8
466.27319	1.8
501.19559	6.4
509.65955	1.6
585.56244	1.9
610.25623	2.6
624.22906	72.3
625.23163	4.5
638.49402	1.9
788.91730	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.6
55.05518	16.4
57.03438	16.0
57.07066	2.4
59.05014	4.0
61.02914	2.4
65.03935	2.6
67.05509	100.0
68.88306	0.8
69.03413	2.8
69.07068	12.4
69.30956	7.0
69.34575	0.9
71.04991	5.0
73.02895	1.0
79.05498	35.9
81.03423	8.9
81.07061	52.7
83.04992	4.8
83.08206	1.0
83.08630	9.3
85.02903	6.9
85.06522	3.0
87.04462	1.1
91.03951	1.1
91.05485	22.9
91.63834	0.7
93.07047	41.5
95.04981	8.1
95.08611	36.6
97.02904	2.5
97.06547	4.1
97.10168	3.3
99.04425	0.9
99.08085	1.3
103.05475	0.8
105.04502	1.5
105.07043	17.3
107.04978	7.4
107.08605	22.0
107.98839	0.9
109.06535	5.8
109.10163	57.1
111.04435	2.4
111.08069	3.5
115.05426	1.0
117.07018	8.0
119.08595	14.0
121.06501	7.4
121.10152	15.1
123.08117	2.3
123.11714	4.1
125.09623	2.7
127.03927	1.3
128.06238	1.1
129.05412	0.9
129.06989	1.2
131.08568	10.8
133.10139	9.4
135.08015	1.0
135.11719	10.2
137.09587	3.4
137.13249	1.9
139.11168	1.6
141.06979	1.8
143.08560	3.2
145.10135	9.1
146.30867	1.0
147.08090	0.9
147.11743	5.7
149.09583	1.3
149.13264	7.9
151.11148	1.1
154.07715	1.1
155.08495	0.8
155.10696	4.5
157.10127	1.6
159.11694	9.1
161.09579	1.3
161.13240	3.8
163.11143	1.2
163.14799	2.8
169.10077	2.5
171.11703	1.6
173.11739	16.7
173.13278	4.1
175.14862	2.3
177.12753	2.3
179.10637	0.9
183.11772	1.6
183.53784	0.8
187.11226	3.8
187.14851	1.3
189.11244	1.9
193.82578	0.8
195.41646	0.7
205.12204	2.6
207.13797	1.0
223.13271	10.4
223.15231	1.4
227.12759	4.0
229.14363	73.8
230.14555	1.3
237.14871	1.2
243.21048	5.0
259.20370	1.3
261.15598	0.8
261.22156	18.1
279.15817	2.1
297.13589	1.2
297.16953	19.8
298.29367	0.8
299.23740	1.0
317.24722	3.1
333.24316	1.5
335.25830	81.3
336.26044	3.2
346.43399	0.9
397.31229	1.0
421.53653	0.8
447.32098	1.1
465.33765	2.0
477.27878	0.9
483.34671	1.5
489.35788	42.1
490.35938	1.7
507.36783	2.0
539.37097	3.6
557.38409	14.3
571.39001	0.9
575.39447	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	786.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.2
55.05502	5.3
57.03454	8.2
61.02932	2.6
65.03937	1.9
65.87860	1.5
67.05521	8.4
69.03429	17.0
69.07075	20.9
70.06564	2.4
70.69444	5.3
71.01334	2.6
71.04976	6.4
73.02903	5.2
73.07694	1.5
78.03459	4.6
79.05499	16.8
81.03406	7.1
81.07062	14.5
83.04988	44.0
85.02913	24.8
85.06566	2.3
87.04437	1.7
91.05487	19.7
93.07067	15.7
95.01309	2.1
95.04992	10.9
95.08598	8.5
96.04522	2.0
97.02897	6.9
97.06540	39.3
98.97610	1.8
99.04462	11.5
101.02405	1.6
101.06020	2.3
103.03928	2.6
103.05473	3.5
105.07037	65.6
106.02911	27.2
106.07343	1.9
107.04935	5.6
107.08596	21.8
109.02921	3.5
109.06531	13.2
111.08078	1.9
113.02338	4.0
115.05466	1.9
115.07635	2.2
117.07029	11.1
117.52700	1.5
119.04924	5.7
119.08578	10.4
121.06518	28.8
121.10139	5.4
123.08053	3.1
123.11681	1.8
124.03056	2.1
124.03965	49.6
125.06002	62.6
127.03931	2.9
127.14867	1.5
128.06201	3.5
129.07007	6.9
130.07790	7.4
131.08588	16.8
133.06522	12.0
133.07388	2.7
133.10097	6.5
135.04408	2.6
135.08037	3.6
135.11710	4.6
137.06020	7.9
139.07597	1.8
141.01802	3.5
141.06998	3.6
143.07036	29.0
143.08569	7.9
144.09358	4.7
145.06509	9.0
145.10136	88.4
147.04425	2.9
147.08032	6.1
147.11690	4.6
151.07526	9.1
153.06932	1.8
154.07802	3.6
155.08530	5.7
156.09314	2.1
157.10106	2.8
158.07243	7.0
159.08101	7.9
159.11703	38.5
161.09660	3.1
163.07515	4.0
163.11177	9.3
167.07082	2.8
169.10133	12.2
171.07994	1.8
171.11748	3.5
172.08780	4.3
173.09633	46.4
175.07559	2.5
177.12770	10.8
180.06564	23.4
182.07257	2.4
187.11198	54.7
189.12743	5.7
191.10657	21.7
197.09598	11.1
198.07643	29.4
205.12251	36.3
207.10233	2.5
209.11694	4.9
215.10686	45.4
223.13341	2.1
233.11752	24.3
251.12708	5.7
323.25842	2.7
325.16562	5.0
356.09830	5.6
374.10867	24.5
430.18655	3.1
448.19724	100.0
449.20004	3.9
501.19446	2.7
520.03259	1.8
624.22821	85.5
625.22870	4.8
642.45398	2.2
785.53802	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	785.484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	10.7
55.05515	50.6
57.03428	11.0
57.07070	3.5
61.02916	10.0
61.31950	2.5
65.03933	4.7
67.05508	69.2
69.03424	18.6
69.07069	25.6
71.04987	7.5
71.55041	4.3
73.02921	5.0
79.05059	5.0
79.05495	59.0
81.03425	16.8
81.07053	58.8
83.04969	8.4
83.08616	23.9
85.02908	11.7
85.06528	6.8
91.03958	5.1
91.05487	52.6
93.07048	39.9
95.04977	10.5
95.08608	42.1
97.02893	13.6
97.06535	8.5
97.10158	26.7
99.04421	3.5
105.07026	43.8
107.04930	9.7
107.08596	33.1
109.02868	5.2
109.06511	5.9
109.10144	28.5
111.04369	3.6
111.08095	7.0
115.05440	3.4
117.07020	24.3
119.08575	28.1
121.06506	6.2
121.10133	12.4
123.08059	4.3
125.09617	28.1
127.03932	7.0
128.06241	8.6
129.07021	25.1
131.08572	32.1
133.06493	4.3
133.10130	19.2
135.08060	9.8
135.11679	7.2
138.93599	2.9
141.06979	15.5
142.07753	7.5
143.08537	23.8
145.06468	6.1
145.10127	23.6
147.08064	4.5
147.11696	9.4
149.09538	5.6
149.13327	3.8
153.06956	4.8
153.09125	3.7
154.07814	5.7
155.08549	20.6
156.09373	3.5
157.10172	23.2
159.08064	6.5
159.11687	15.9
161.09641	4.3
161.13274	6.4
163.11171	3.9
165.07056	4.5
166.07797	4.1
167.08565	12.5
168.09331	6.5
169.10136	26.2
170.10938	3.6
171.11723	20.0
173.09595	6.5
173.11812	4.0
173.13321	4.7
179.08617	3.2
180.09265	3.3
181.10144	14.3
183.11676	19.6
184.07230	3.2
185.13274	12.7
189.11243	13.8
193.10184	9.3
195.11726	13.7
197.09561	3.4
197.13269	12.8
199.14813	10.8
207.11694	5.3
209.13235	9.6
211.11229	5.1
211.14789	11.6
213.12825	3.8
213.16473	5.1
219.11613	5.1
221.13266	7.4
223.14880	5.0
225.16385	7.7
227.12775	18.5
229.14363	6.3
239.17897	4.3
245.13443	4.1
247.14764	3.5
251.17896	4.4
257.18939	5.9
259.20615	5.5
263.18021	4.4
270.06726	2.9
273.18637	5.6
275.20111	5.1
291.19644	11.8
297.21909	3.8
309.22214	3.7
335.25717	5.7
365.24371	3.3
367.22675	4.4
377.28049	3.4
379.29803	12.5
474.06000	3.7
513.36578	5.8
531.38019	8.5
541.35498	5.2
549.39374	7.5
554.35748	5.1
605.41846	35.6
618.70636	3.4
623.42999	100.0
623.94067	3.5
624.43378	7.5
635.43658	4.4
749.46582	5.3
767.47144	3.6
785.48041	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	785.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.3
55.05509	12.2
57.03440	7.3
61.02642	1.6
61.02933	22.1
65.03934	1.6
67.05177	1.9
67.05509	27.3
69.03432	7.9
69.07072	9.4
71.04997	2.7
71.55123	1.2
73.02910	7.9
79.05500	23.0
81.03424	7.8
81.07066	26.6
83.04967	3.5
83.08610	8.2
83.85234	1.1
85.02914	28.6
85.06551	2.6
86.09694	1.2
87.04442	1.1
89.09132	0.9
91.03962	15.9
91.05489	33.1
93.07050	21.2
95.04993	5.8
95.08611	17.0
97.02895	15.1
97.06545	5.7
97.10154	2.2
99.04443	3.1
101.02383	1.0
103.05450	2.4
104.10708	1.0
105.04524	1.3
105.06384	1.9
105.07043	22.5
107.04962	5.5
107.08607	9.7
109.02866	2.2
109.06523	3.5
109.10154	7.9
111.04484	1.3
111.08090	3.5
115.05453	3.1
117.07026	20.4
119.04967	1.4
119.08591	12.3
121.06506	3.5
121.10164	7.8
123.04438	1.1
123.08065	2.0
123.11697	1.6
125.09657	1.6
127.03910	6.2
128.06242	4.3
129.07019	22.2
131.08585	28.2
133.06490	3.7
133.10150	8.8
135.08066	3.5
135.11717	3.4
137.05930	1.1
137.09633	1.4
141.07001	10.3
142.07779	2.2
143.08568	18.4
145.04993	4.8
145.06471	5.3
145.10150	11.9
147.08043	4.7
147.11697	4.5
149.09642	5.0
149.13252	1.4
150.09879	1.0
151.11226	1.9
153.06952	1.8
155.08582	16.2
157.06470	1.4
157.10118	11.7
159.08084	5.1
159.11711	9.5
161.09619	1.9
161.13263	1.3
163.06050	3.1
163.11186	2.6
165.07030	2.7
167.08626	6.3
168.09331	1.6
169.10114	9.3
171.08066	2.4
171.11717	6.2
171.12958	1.0
173.09625	2.3
173.13252	3.1
175.11165	2.4
177.12741	2.8
179.08586	2.9
181.10129	5.6
183.11684	6.0
184.07263	1.6
185.09581	2.0
185.13231	5.6
187.11209	2.5
187.14865	1.5
193.10178	2.7
193.12151	1.6
195.11656	8.0
197.09663	1.6
197.13191	5.3
199.11249	2.0
199.14827	2.6
201.12726	1.2
207.11707	3.8
209.13257	3.5
211.11237	1.2
211.13068	1.3
211.14838	3.6
213.12735	3.1
215.14375	4.1
217.12135	1.1
217.15862	1.4
219.11687	1.8
221.13232	5.9
223.14856	4.4
225.12794	1.9
225.16382	1.5
227.14365	1.9
228.62755	1.1
229.14226	2.1
231.13872	1.7
235.14807	3.2
239.14291	4.0
239.18077	1.2
241.15910	2.9
245.15512	1.8
249.16502	1.8
250.40323	1.1
253.15918	3.6
257.15338	2.2
257.19254	1.2
259.14755	1.9
267.09183	2.1
267.17474	1.4
271.16943	2.4
285.10208	2.3
303.19519	1.6
305.15802	1.2
315.20953	1.8
323.23679	3.4
333.22153	8.6
341.24768	5.2
351.23215	25.5
369.24246	22.5
387.25305	11.9
389.24722	1.2
407.25824	1.3
415.28555	1.3
425.26822	6.7
433.29214	1.3
443.27975	100.0
444.28003	2.8
461.29016	57.7
462.29037	3.0
485.29028	1.1
503.30045	1.9
545.91870	1.1
551.29010	1.1
587.31995	1.3
605.32910	3.2
623.33929	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	785.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.7
55.05516	15.4
57.03439	6.1
61.02929	22.1
63.78180	1.8
67.05515	26.7
69.03429	7.9
69.07076	12.3
71.04989	4.1
71.55653	3.0
73.02913	6.5
73.27604	1.9
79.05499	28.6
81.03414	7.6
81.07065	27.6
83.04983	4.0
83.08614	9.1
85.02917	27.4
91.03966	13.9
91.05493	29.5
93.07050	21.9
95.04973	6.8
95.08618	15.6
97.02891	16.2
97.06509	2.2
97.10163	1.9
99.04520	2.7
103.05446	2.3
105.07026	21.4
107.04940	4.2
107.08620	11.0
109.02875	2.2
109.06528	6.0
109.10166	5.3
111.08090	3.1
115.05487	2.6
117.07031	14.4
119.08606	11.7
121.06499	5.3
121.10126	5.8
123.08105	3.2
127.03914	7.9
128.06247	3.9
129.07018	19.5
131.04904	2.7
131.08582	22.7
133.06467	4.6
133.10118	9.6
135.08072	3.2
135.11768	3.0
137.09665	2.1
141.07040	6.3
142.07755	2.6
143.08586	18.2
145.04973	4.8
145.06471	5.6
145.10088	9.5
147.08098	6.9
147.11655	3.3
149.09648	3.2
155.08557	13.6
157.06517	3.8
157.10136	9.9
159.11703	8.2
161.09608	2.4
163.11133	2.6
165.05598	2.3
166.07680	2.6
167.08592	5.9
169.10066	10.9
171.11693	5.1
173.09625	2.6
175.11156	3.8
177.12833	2.2
179.08507	3.9
181.10170	6.9
183.11723	6.4
185.09637	3.3
185.13269	5.6
187.11230	2.2
193.10179	4.5
195.11676	7.6
197.13327	4.2
199.14839	2.3
209.13293	4.8
221.13290	4.7
223.14935	5.7
239.14406	2.6
257.15277	2.1
259.17081	2.8
265.15955	2.2
280.70029	2.1
285.10217	3.2
323.23676	3.4
333.22147	10.4
341.24823	5.1
351.23239	27.3
369.24292	19.7
387.25449	13.4
425.26755	5.5
443.27991	100.0
444.28339	3.3
461.22479	3.9
461.29056	57.4
462.29724	2.5
485.29083	2.3
605.32275	2.3
623.34052	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	783.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
55.05504	0.6
59.06116	0.6
61.02928	0.6
65.03945	5.8
67.05508	1.7
69.03434	0.4
69.07076	4.8
73.02911	0.4
79.05496	1.0
81.03381	0.3
81.07062	2.9
83.08605	0.5
85.02868	0.3
91.05470	0.7
93.03413	3.5
93.07043	0.4
95.01318	0.7
95.08628	1.9
97.02930	0.3
100.66949	0.3
104.03383	0.3
105.07027	0.4
107.04967	5.2
107.08530	0.4
109.02866	0.4
109.10165	2.8
111.04454	0.7
117.06979	0.4
119.04967	0.4
121.02875	5.7
121.10151	0.3
123.04430	1.4
123.11693	1.4
131.01300	6.7
135.04424	0.6
135.08034	0.7
135.11723	0.8
137.02345	4.4
143.08519	0.5
145.06555	0.5
147.04384	0.8
149.02351	71.1
150.02667	0.6
151.03920	13.9
161.02359	0.7
161.05998	2.2
163.03909	4.4
163.07545	1.3
165.05463	1.6
167.03412	100.0
168.03761	1.4
171.08037	0.8
173.05971	0.5
175.03886	0.9
175.07608	1.9
177.05473	1.4
179.03421	1.4
181.04999	0.5
181.06480	0.8
189.05457	1.3
189.09222	0.4
191.07042	25.5
192.07286	0.5
199.07509	1.0
203.07048	1.9
203.10632	0.6
205.08612	4.9
209.06168	0.3
209.08072	4.8
209.09846	0.4
210.06816	0.4
215.07079	0.3
217.08615	5.4
217.12180	0.9
219.08115	0.4
221.05908	0.4
227.07057	5.6
229.33832	0.4
231.13811	10.0
237.09081	1.4
239.07040	0.4
245.15384	0.7
251.06952	0.4
265.08664	0.9
267.06570	0.6
269.11951	0.4
271.13397	0.5
273.14865	63.7
274.15222	1.7
279.06708	0.4
281.08109	0.8
283.13303	0.3
291.06403	0.8
293.08142	0.5
297.03842	0.4
307.06006	1.7
309.07477	0.6
351.19647	4.3
378.08859	0.4
385.10938	0.4
387.12326	0.7
391.19223	0.3
400.29330	0.4
431.18335	0.9
443.18176	0.3
511.24878	3.0
521.30786	0.7
535.13873	0.4
537.22491	0.7
693.41846	6.5
693.94702	0.4
694.41040	0.4
783.43842	4.8
786.71649	0.4
794.48932	0.4
796.35925	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	51.0
69.86382	1.6
69.86797	2.0
71.53105	0.6
71.69202	0.6
71.95278	0.7
74.97616	6.4
79.05508	1.8
84.96035	11.3
86.97596	0.6
89.03404	1.2
89.03917	13.9
90.04280	0.9
91.05463	1.0
98.97589	59.8
103.74673	0.6
107.04951	2.4
110.97567	6.3
114.97009	0.9
116.98628	27.8
117.03391	11.0
119.04953	1.3
124.99113	2.1
128.98618	7.3
132.98038	2.1
134.99655	4.9
135.04425	19.2
136.04765	1.1
140.00226	0.7
140.98537	0.8
143.00175	9.3
144.98088	1.3
145.01747	1.2
145.02858	12.8
146.03156	0.8
146.99667	2.2
147.04399	3.8
150.99136	2.4
154.93137	0.7
156.98180	1.0
158.99660	21.3
161.01213	8.2
163.03915	80.2
164.04250	4.1
172.94389	0.8
174.99138	2.9
175.00641	2.7
177.00725	18.9
177.05495	1.3
185.01245	3.7
186.99173	1.5
187.00696	1.1
189.00696	0.8
191.00177	2.4
193.00195	3.8
193.01761	5.4
195.01758	1.4
200.02357	1.1
200.98596	3.5
203.00322	1.0
203.02251	2.5
205.00153	1.7
205.01752	2.1
206.99699	1.0
209.01228	5.9
211.02791	6.5
214.95654	0.9
218.99660	18.3
219.01738	1.5
220.99571	1.8
221.01308	2.7
223.02803	3.8
225.00713	1.2
227.02231	1.3
229.03850	2.5
233.01283	2.7
234.02010	1.2
237.00710	100.0
238.01080	2.0
239.00819	2.9
248.98866	4.6
251.02330	5.5
252.97978	1.1
255.01781	73.7
256.02176	2.1
257.01993	1.1
259.02798	1.1
260.02118	1.5
261.00693	3.3
267.00204	20.0
269.03271	5.4
273.02841	52.3
274.03134	1.1
277.03815	1.9
278.03430	1.5
279.01755	8.2
285.01254	6.3
287.02039	1.1
291.00198	1.5
292.96448	1.8
295.01425	1.1
295.04855	1.1
296.04501	0.7
297.02853	10.0
305.03397	3.3
309.01245	5.8
310.97699	1.1
313.02383	1.0
315.03650	1.3
316.96295	1.0
319.01303	1.0
323.04327	2.2
334.97409	1.0
335.03214	0.8
352.98709	1.5
355.03400	0.9
365.01596	3.4
367.03339	1.2
383.02728	4.3
385.04535	1.1
393.01328	11.0
395.01273	5.0
404.99774	1.4
411.02380	34.3
423.00867	50.1
429.03436	35.5
434.04034	1.7
441.01947	14.0
443.05011	0.8
447.04465	1.6
452.04858	0.9
453.03577	2.3
464.03284	0.8
471.04480	1.9
539.03210	0.8
555.04529	1.9
555.55103	0.7
557.04578	1.0
567.03290	1.0
573.05292	1.5
585.04022	25.3
586.04065	1.2
603.05225	6.1
640.99554	2.0
659.01428	1.3
684.19556	0.8
721.91907	0.8
747.06671	1.9
803.01978	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.2
57.03413	2.8
61.02938	6.3
67.05176	0.7
67.05508	10.1
69.03430	3.2
69.07050	1.2
71.04993	1.1
71.61429	0.6
73.02924	3.9
79.05496	3.9
81.03404	1.5
81.07065	5.5
83.08604	1.3
85.02491	0.6
85.02917	6.2
87.04462	0.7
91.03976	4.1
91.05461	2.8
93.07046	4.6
95.08615	4.1
97.02901	7.5
99.04437	1.0
100.00309	0.7
101.02357	2.3
102.92400	0.7
106.78777	0.7
107.08575	2.8
109.02877	1.4
109.10159	4.7
117.06951	0.6
119.08569	1.8
121.10140	2.2
125.00059	0.8
127.03922	1.1
127.53712	0.6
131.08566	0.7
133.10114	0.6
135.11630	1.1
145.10138	0.9
151.23994	0.6
167.81970	0.6
173.11713	0.7
184.07259	1.2
203.05235	0.9
236.05270	0.8
241.73080	0.7
243.08490	2.6
335.25803	0.9
413.17682	4.1
485.20135	1.2
519.29413	11.1
691.40308	100.0
692.40967	5.5
735.42883	0.9
763.41577	2.3
781.42358	53.4
782.42566	2.7
793.62311	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.3
57.03442	1.9
61.02937	5.3
66.08437	0.5
67.05508	5.3
69.03435	3.9
69.07086	1.5
71.01358	0.4
71.04987	1.1
73.02935	4.2
79.05493	5.6
81.03433	2.0
81.07063	4.4
83.04998	0.6
83.08627	0.8
85.02912	5.0
91.03970	3.7
91.05509	1.9
93.07066	4.9
95.04963	0.5
95.08615	2.6
97.02898	4.2
99.04473	1.1
101.02393	2.0
103.03925	0.6
105.07069	1.5
107.05029	0.5
107.08614	2.2
109.02896	1.1
109.06551	0.5
109.10177	2.2
117.07067	0.6
119.08606	1.0
121.10167	2.6
123.11815	0.4
127.03958	1.4
131.08597	0.8
133.10117	0.7
135.11731	1.1
137.69893	0.4
145.10168	1.0
168.95844	0.5
185.04228	0.9
203.05167	0.6
213.94441	0.4
235.89984	0.5
243.08307	2.2
267.12183	1.2
285.13309	1.5
335.26111	0.6
485.19888	3.8
503.20987	2.9
519.29315	5.2
763.42426	7.4
781.43347	100.0
782.43744	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	781.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.1
56.90999	0.3
57.03445	1.8
61.02934	5.7
67.05511	7.7
69.03432	3.0
69.07076	1.2
71.01357	0.6
71.05011	0.7
73.02924	3.7
79.05509	3.0
79.05949	0.5
81.03409	1.7
81.07069	4.5
83.08620	0.6
85.02915	5.6
87.04482	0.7
91.03964	3.7
91.05506	1.5
93.07047	3.3
95.08630	3.4
97.02895	4.5
97.06549	0.3
99.04478	1.1
101.02383	1.7
103.03953	0.7
105.07063	1.2
107.08605	1.6
109.02909	1.1
109.10167	4.8
118.98469	0.4
119.08627	1.2
121.10176	1.3
123.97205	0.4
127.03941	1.8
133.10170	0.7
135.11800	0.5
145.10161	0.5
149.02333	0.4
149.13313	0.4
173.11804	1.1
178.47380	0.3
183.06699	0.4
184.07368	0.4
185.04247	0.6
189.80991	0.4
195.09982	0.5
203.05305	0.4
229.14275	0.8
239.25398	0.3
243.08501	1.9
255.24803	0.4
312.66791	0.3
335.26160	0.7
413.17850	6.3
519.29413	7.7
691.40326	100.0
692.40723	4.6
717.41956	0.5
763.42328	1.2
781.42419	19.1
782.42340	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05373	0.7
55.05622	1.1
57.03269	1.0
57.03555	1.3
61.02719	2.5
61.03070	4.9
65.37822	0.5
67.05259	2.8
67.05659	6.7
69.03183	1.0
69.03584	2.4
69.06887	0.5
69.07198	0.9
70.89626	1.4
71.01474	0.7
71.05120	0.7
73.02633	1.2
73.03088	2.8
74.79910	0.5
77.47273	0.6
79.05186	1.0
79.05677	2.3
81.03558	1.0
81.06724	1.0
81.07242	3.1
83.05121	0.6
83.08765	1.2
83.13153	0.5
84.94998	0.5
85.02523	1.4
85.03103	4.9
87.04606	0.5
91.03547	0.7
91.04162	3.7
91.05693	2.5
93.06638	1.0
93.07257	2.8
95.08836	3.0
97.02428	1.1
97.03110	5.6
99.04611	0.8
101.01918	1.0
101.02611	1.8
105.07256	1.4
107.08759	1.2
109.03040	0.9
109.09589	1.2
109.10399	7.0
111.08250	0.5
117.07259	0.5
117.27248	0.5
119.08835	1.6
121.10351	1.0
126.84063	0.5
127.04185	1.7
131.08733	0.6
133.10356	0.8
135.11908	0.7
147.11971	0.6
173.12090	2.3
185.04475	0.9
195.10178	0.7
203.05515	0.5
229.14629	1.2
243.08777	2.3
318.41785	0.6
335.26129	1.6
413.17834	12.0
503.21271	0.7
519.29321	6.1
618.89569	0.6
691.40302	100.0
692.40582	5.2
714.90710	0.6
717.42120	1.1
735.41840	0.7
763.42157	1.9
781.42914	18.2
782.42456	1.2
805.08417	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39720	0.4
55.05514	1.6
57.03439	2.0
61.02926	6.4
65.35486	0.3
67.05131	0.4
67.05508	8.3
67.05859	0.3
69.03429	3.3
69.07077	1.1
70.19754	0.8
70.20136	1.0
71.01359	0.7
71.04997	0.4
73.02922	4.7
79.05491	3.3
81.03444	2.0
81.07059	4.8
83.08627	0.5
85.02907	5.8
87.04471	0.5
91.03970	3.8
91.05477	2.1
93.07053	3.2
95.08611	3.2
97.02896	5.3
97.06515	0.5
99.04479	0.8
101.02388	1.6
101.39053	0.3
103.03899	0.4
105.07056	1.6
107.08602	1.8
109.02923	1.0
109.10155	4.4
115.03945	0.6
117.07040	0.5
119.08609	1.1
121.10162	2.0
127.03910	2.0
131.08604	0.7
135.11723	1.2
137.66348	0.3
145.05005	0.4
145.06590	0.4
145.10147	0.6
149.13307	0.4
161.13242	0.5
173.11812	0.9
184.07361	0.9
185.04213	0.6
189.47368	0.3
195.10039	1.0
203.05376	0.4
221.27336	0.3
223.48093	0.3
229.14586	0.5
243.08487	2.3
255.65042	0.4
267.99084	0.3
335.25998	0.6
413.17871	5.3
519.29279	11.0
677.37158	0.4
691.40283	100.0
692.40552	5.1
735.42688	0.7
763.42212	1.3
781.43079	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	781.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05414	0.9
55.05663	0.6
55.95094	0.3
57.03328	1.4
57.03627	0.7
59.04905	0.5
61.02810	4.2
61.03161	1.4
67.05379	6.6
67.05784	1.7
69.03302	2.4
69.03713	0.7
71.04883	0.6
71.24796	0.7
73.02792	2.9
79.05355	2.2
81.03284	1.2
81.06916	3.5
81.07449	0.9
83.08504	0.5
85.02765	5.5
85.03310	0.9
87.04383	0.4
90.76005	0.4
91.03802	3.7
91.05342	1.7
93.06890	2.4
95.04855	0.4
95.08462	2.4
96.18734	0.4
97.02744	4.2
97.03426	0.8
98.21478	0.4
99.04359	0.7
101.02230	2.1
103.03850	0.4
105.06847	1.1
107.08488	1.0
109.02776	0.6
109.09991	5.5
111.07965	0.4
115.03812	0.4
119.08430	0.9
121.10036	0.7
127.03732	1.3
133.09999	0.5
137.09511	0.5
145.09920	0.5
149.12939	0.4
155.10558	0.6
173.11723	2.1
185.04138	0.6
190.16293	0.4
195.09782	0.7
207.47447	0.4
228.72256	0.4
229.14117	1.3
229.16225	0.4
242.89993	0.4
243.08372	2.7
251.12427	0.4
335.25818	0.5
370.29382	0.4
413.17850	12.4
497.31482	0.4
519.29327	5.8
529.34900	0.4
677.37958	0.5
691.40308	100.0
692.40546	5.1
735.42975	0.7
763.41949	1.4
781.42908	17.3
782.43927	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.2
57.03432	2.1
61.02927	6.8
62.18817	0.6
64.61671	0.6
64.86381	0.5
66.29496	0.6
67.05507	6.1
69.03442	4.3
69.07076	1.8
71.01363	0.9
71.04967	0.8
73.02917	4.6
74.17450	0.6
79.05507	3.9
81.03432	3.7
81.07072	6.6
83.08656	0.7
85.02912	7.0
87.04484	0.8
91.03937	3.5
91.05488	2.9
93.07046	6.1
95.08617	4.6
97.02896	5.8
97.10141	0.6
98.21609	1.2
99.04472	0.9
101.02389	2.0
105.07008	1.3
107.08620	1.8
109.02913	1.1
109.10192	1.8
119.08556	1.2
121.10165	2.1
125.79509	0.6
127.03944	1.5
131.08597	0.9
133.10136	1.0
135.11726	2.1
145.10220	1.0
147.11789	1.0
149.13354	0.7
157.06267	0.6
163.11229	1.0
185.04231	0.9
243.08516	2.1
261.69775	0.7
267.12027	1.3
285.13235	2.9
335.25790	1.1
427.19891	1.0
485.20026	2.7
503.21155	1.9
519.29431	8.1
763.42480	7.0
781.43445	100.0
782.43652	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	781.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
56.96571	0.8
61.02924	0.8
65.03638	0.7
65.03943	4.2
67.05509	2.3
69.03429	0.9
69.07092	0.8
69.36086	0.4
70.72142	1.2
73.02927	0.6
79.05494	1.9
81.03426	0.7
81.07063	3.5
83.01352	0.7
85.02902	1.0
91.05494	11.1
93.03412	2.2
93.07047	3.8
95.01352	0.4
95.08623	0.6
97.02875	0.9
103.05525	0.5
105.07043	3.4
107.01321	0.6
107.04956	1.4
107.08586	2.2
109.10179	3.4
115.05426	2.3
116.06255	0.7
117.07016	1.3
119.04955	13.4
119.08591	5.4
121.02880	1.9
121.06501	1.5
121.10168	0.6
123.04417	0.5
123.11729	1.2
128.06258	1.4
129.07021	1.2
131.01292	3.5
131.08582	3.5
133.06526	2.7
133.10165	1.2
135.11690	2.8
141.07043	2.5
143.08606	0.5
144.05713	0.7
145.06503	0.7
147.04427	49.8
147.08066	1.6
149.02354	73.2
150.02675	0.6
151.03873	1.2
153.01906	0.6
159.04565	0.5
159.08099	3.3
159.11507	0.5
161.05997	9.1
163.03922	1.9
163.07617	0.4
167.03419	85.1
168.03751	0.7
169.06482	9.6
169.07796	0.7
171.08080	0.7
173.06042	2.0
174.06784	0.5
175.03960	1.3
177.05551	0.5
179.03378	3.8
187.03911	0.9
187.07535	3.5
189.05516	5.0
189.09125	2.0
189.16470	0.9
191.03424	0.5
191.07002	0.9
193.04984	0.7
197.05997	10.7
200.04720	0.9
203.07077	3.7
205.08635	1.8
215.07050	100.0
216.07457	1.3
217.08607	0.6
221.08081	0.8
227.07059	0.7
229.08751	1.1
231.10115	0.6
233.08121	24.4
234.08340	0.5
235.09724	0.5
253.07471	0.8
255.10196	1.6
257.11880	0.9
267.06540	1.1
269.08127	52.8
270.08563	0.6
271.08722	1.0
271.13330	4.6
273.11005	0.4
281.08224	0.9
281.11862	1.2
283.09976	0.6
289.09555	1.0
293.11807	0.7
309.11185	5.2
311.12808	1.0
311.20016	1.0
323.12918	3.3
327.11978	0.8
335.12808	49.6
336.13196	1.5
337.14435	1.1
337.17966	3.1
360.34250	0.5
375.15833	3.6
377.17480	0.7
389.17316	0.8
391.14078	0.7
391.19095	13.7
393.17017	1.8
419.14783	0.9
453.16849	0.5
457.17505	0.7
457.23776	9.9
471.15533	3.2
483.14236	1.6
513.22711	1.8
513.29932	3.6
539.20636	5.7
557.21790	0.8
603.19965	0.9
635.33905	0.6
659.27338	2.1
781.43726	11.6
782.42114	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.1
57.03438	2.4
61.02930	6.8
64.11192	0.5
67.05509	4.8
69.03431	3.3
69.07066	1.4
71.01374	0.6
71.04243	1.0
71.04996	0.9
73.02923	4.2
79.05502	3.3
81.03425	3.3
81.07062	5.2
83.04959	0.7
83.08636	0.8
85.02915	4.8
87.04482	0.8
91.03966	3.8
91.05492	2.9
92.35519	0.4
93.07030	3.3
95.05004	0.8
95.08605	3.2
97.02908	5.4
99.04472	0.8
101.02392	1.6
105.07052	1.9
107.08613	2.5
109.02899	0.7
109.10172	1.9
115.57597	0.5
119.08599	1.5
121.10182	2.7
127.03943	1.7
129.06984	0.5
131.08562	0.9
133.10176	1.1
135.11662	0.6
145.10207	0.5
147.11723	1.1
149.09653	0.8
185.04239	0.6
193.12465	0.5
243.08426	2.7
283.15201	4.4
335.26041	0.6
339.18008	0.7
501.23108	8.2
519.29376	7.3
779.45544	100.0
780.45850	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	779.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
55.05513	1.8
57.03455	2.0
57.45533	0.3
61.02930	4.9
67.05511	5.2
69.03442	3.1
69.07078	1.3
71.04988	3.7
72.11975	0.4
73.02924	2.8
79.05506	4.8
81.03433	1.6
81.07056	5.2
85.02908	4.8
85.06551	0.6
87.04494	0.5
89.90363	0.4
90.79256	0.4
91.03968	2.8
91.05481	4.8
91.05938	0.4
91.34520	0.3
93.07046	4.2
95.04990	0.7
95.08605	2.2
97.02904	4.0
97.06551	0.6
98.20678	0.6
99.04484	0.9
101.02404	1.5
105.07037	3.0
107.08621	2.4
107.15807	0.4
109.02879	0.9
109.10182	1.4
115.03957	0.4
117.07048	1.0
119.08617	1.4
121.10168	1.0
123.11726	0.5
127.03954	1.3
131.08607	1.0
133.10170	2.7
135.11742	0.8
143.08623	0.4
145.10158	0.9
147.11763	0.7
149.13330	0.8
151.11182	0.9
159.11703	1.0
171.11700	0.4
183.13812	0.7
185.04288	0.9
197.13031	0.4
199.54012	0.4
203.05383	0.7
206.70656	0.4
228.94946	0.4
243.08418	2.7
247.39926	0.4
257.17523	0.8
267.15823	1.5
279.09152	0.4
301.09076	1.2
365.19745	0.6
373.11304	0.5
385.45200	0.4
453.21069	0.7
485.23676	8.3
501.23706	0.7
535.28839	6.5
557.25635	1.1
779.45612	100.0
780.45911	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	779.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.5
57.03447	2.2
61.02930	6.6
64.56522	0.5
65.03950	0.4
67.05511	6.5
69.03436	3.1
69.07091	1.0
69.30929	2.1
69.31359	2.0
71.01355	1.4
71.04986	0.8
73.02921	4.0
79.05500	5.4
80.31982	0.4
81.03426	2.2
81.07063	6.2
83.08621	0.5
85.02906	5.5
87.04459	0.5
89.59572	0.5
91.03962	3.6
91.05479	2.9
93.07063	4.9
95.04919	0.6
95.08617	3.8
97.02904	5.4
98.21466	0.9
99.04502	1.0
101.02387	2.7
105.07068	1.4
107.08592	2.5
109.02884	0.7
109.10171	2.1
119.08613	1.5
121.01895	0.5
121.10176	2.0
123.11753	0.7
127.03925	1.5
128.60635	0.4
131.08553	0.7
133.10078	0.7
133.59998	0.5
135.11642	0.7
135.89020	0.5
145.10123	0.8
185.04190	0.7
243.08574	2.3
245.49118	0.5
265.10703	0.9
283.11737	2.1
335.26163	0.7
373.76208	0.5
409.18469	0.7
467.41391	0.5
483.18497	1.4
501.19568	2.3
519.29376	8.7
540.78925	0.7
733.40497	0.9
761.40295	2.5
779.41785	100.0
780.41840	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	779.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.3
56.96571	1.0
57.03432	1.8
60.47810	0.7
61.02922	4.4
67.05509	3.7
69.03443	3.1
69.07074	2.4
71.04988	1.3
71.31293	0.6
73.02913	3.5
79.05506	4.1
81.03431	2.8
81.07077	3.8
83.08631	1.8
85.02922	4.8
91.03967	3.1
91.05489	3.5
93.07043	3.7
95.04990	0.8
95.08630	1.9
97.02899	4.5
98.20663	1.0
99.04442	1.2
101.02380	1.2
103.03927	0.8
105.07053	2.4
107.08595	1.6
109.10168	1.2
119.08627	2.1
121.10158	1.3
127.03938	1.4
129.07042	1.2
131.08623	1.2
133.10159	1.7
135.11742	1.5
147.04434	1.6
147.11740	1.3
149.02437	2.1
163.11224	1.1
167.03471	2.9
185.04303	1.9
203.05301	0.9
215.07153	0.7
222.38943	0.7
242.44157	0.6
243.08415	3.6
257.74704	0.8
269.08224	0.7
301.09036	3.5
317.21017	1.2
358.11813	0.7
373.11359	0.9
385.18716	2.3
393.20816	0.8
395.04022	0.7
439.19632	0.8
453.21265	0.8
465.21039	1.7
467.19034	1.3
469.20743	2.8
471.22131	1.8
485.20114	1.6
525.23322	4.4
535.28955	4.9
551.28241	1.7
594.30304	0.9
598.49915	0.8
607.31427	1.4
609.32654	1.5
615.40863	0.7
635.34021	1.2
651.34357	1.0
663.33459	0.7
677.39496	1.2
693.34601	4.7
695.40393	1.3
707.39923	1.3
721.41370	1.7
733.41266	1.4
761.40558	6.1
762.42133	0.9
779.41663	100.0
780.41699	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	779.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.8
57.03443	2.0
61.02931	4.5
61.75511	0.5
67.05511	4.0
69.03436	2.2
69.07072	1.9
70.42203	1.5
71.04993	1.2
71.88624	0.5
72.15806	0.5
73.02917	3.3
79.05504	3.5
81.03429	3.2
81.07063	4.7
83.05001	1.6
83.08637	1.2
84.36879	0.5
85.02914	5.4
91.03962	2.8
91.05487	3.7
93.07047	4.3
95.04456	0.5
95.04997	1.1
95.08626	1.7
97.02900	3.7
97.06569	0.9
98.21426	0.5
99.04487	1.2
101.02385	1.4
105.07039	3.1
107.04921	0.6
107.08614	1.6
109.02897	0.9
109.06544	0.8
109.10166	0.7
117.07030	0.8
118.21481	0.5
119.08598	2.7
121.10136	1.2
127.03993	1.4
129.07008	1.0
131.08615	0.8
133.10170	1.9
135.11667	0.7
147.11737	1.3
149.09653	0.6
159.11728	0.5
175.11308	0.7
190.14404	0.5
203.03564	1.2
222.75813	0.5
243.08539	2.2
251.12560	0.7
289.13666	0.5
306.11951	0.6
313.03546	1.0
319.09244	0.5
333.20459	1.7
337.68616	0.6
439.19739	0.8
452.83234	0.6
453.21515	1.0
469.20331	6.9
551.28406	6.8
663.55762	0.5
681.34851	0.6
779.41913	100.0
780.42175	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	779.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.1
57.03425	1.6
57.91606	0.5
61.02932	5.2
63.59865	0.5
65.57182	0.5
67.05511	4.1
69.03439	3.1
69.07072	1.6
70.09187	0.5
70.11024	1.2
70.11419	1.3
71.05010	0.5
73.02919	2.7
79.05497	3.0
81.03402	0.9
81.07058	3.3
83.08611	0.9
85.02908	4.1
87.04468	0.8
91.03999	2.6
91.05474	2.3
93.07049	3.4
95.08607	3.3
95.32360	0.5
97.02900	3.6
101.02387	1.5
105.07023	1.8
107.08583	1.8
109.02850	0.6
109.10172	1.3
119.08592	0.9
121.10157	0.9
127.03928	1.3
131.08492	0.6
133.10109	1.5
133.93347	0.5
135.11636	0.7
161.07849	0.6
161.09599	0.6
172.64908	0.5
184.07410	1.0
185.04265	0.7
237.11005	0.7
243.08411	1.6
277.09988	0.5
455.18958	1.2
501.18408	0.9
519.29303	6.3
689.41180	1.0
733.40576	1.2
761.39264	1.1
779.40833	100.0
780.40973	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	779.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.2
57.03431	1.9
61.02915	4.5
67.05508	6.8
69.03452	3.8
69.07063	0.9
71.09991	1.5
73.02905	2.8
79.05492	3.0
81.03420	2.1
81.07062	5.8
83.04913	0.9
83.08600	1.3
85.02925	5.9
91.03941	3.2
91.05485	2.9
93.07058	4.2
95.04960	1.0
95.08611	4.4
97.02895	4.0
97.10175	0.8
101.02429	1.0
105.07022	2.2
107.08579	3.0
109.10156	2.3
121.10069	0.9
127.03922	1.5
131.08589	0.8
133.10121	2.1
135.11684	1.3
153.01949	0.9
163.36142	0.7
184.07336	2.1
185.04308	1.1
195.32559	0.7
228.55334	0.8
243.08510	1.2
455.18900	1.4
519.29193	6.3
733.40973	2.4
747.42487	1.3
761.39185	1.0
779.41040	100.0
780.41888	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	779.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
55.05504	1.6
57.03435	1.8
61.02925	3.6
67.05505	4.2
69.03439	3.5
69.07063	1.6
71.01347	0.7
71.04987	1.3
73.02916	3.1
75.43836	0.4
79.05498	3.7
81.03429	4.5
81.07061	4.1
83.04985	0.9
83.08621	1.6
85.02911	6.0
87.04482	0.6
91.03970	2.7
91.05491	4.3
93.07041	3.8
95.04987	1.7
95.08601	2.0
97.02897	4.3
97.06527	0.9
97.10166	0.5
99.04471	0.8
101.02384	1.7
103.02612	0.4
105.07037	2.8
107.04976	0.5
107.08616	1.2
109.02901	0.7
109.10155	0.8
111.08090	0.6
115.03929	0.4
117.07064	0.7
119.08565	2.1
121.10185	1.1
127.03948	1.5
129.07022	1.0
131.08577	1.1
133.10156	1.4
135.11678	0.7
145.10159	0.5
147.11729	1.1
149.09608	0.6
157.10162	1.3
175.11227	0.8
184.07420	0.4
193.12280	1.3
203.03523	0.5
211.13358	1.0
243.08488	1.5
251.12608	0.8
269.12476	0.8
285.10379	0.5
333.20438	1.6
375.10089	0.5
439.19550	0.8
453.20938	1.4
469.20416	8.7
487.90472	0.4
551.28326	4.4
681.34583	0.8
779.41901	100.0
780.42151	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05271	1.4
55.05516	19.3
57.03226	1.1
57.03445	11.0
57.07076	8.3
67.05508	18.6
69.03429	2.4
69.06732	1.5
69.07078	24.1
69.30663	5.7
69.31089	5.6
71.08625	3.6
79.05490	12.2
81.03426	58.7
81.07068	22.2
83.04986	1.8
83.08624	24.5
85.02904	1.5
85.06559	2.0
85.10199	2.6
86.09720	7.3
91.05476	11.7
93.07057	10.7
95.04986	16.7
95.08611	17.8
97.02906	1.5
97.06523	3.4
97.10168	10.0
98.20722	2.3
105.07040	7.9
107.04951	3.3
107.08594	6.4
109.06528	1.9
109.10177	7.7
111.08060	5.7
111.11726	3.6
117.07021	1.4
119.08597	9.5
121.06460	2.7
121.10152	12.8
123.11768	2.4
125.00008	5.9
129.07027	6.8
131.08559	4.1
133.06479	2.4
133.10124	2.5
135.09111	1.4
135.11682	4.5
137.09627	2.0
142.07773	1.9
147.08058	2.1
147.11670	5.4
149.09641	1.8
149.13278	2.7
157.10089	5.9
163.11180	1.2
163.14793	1.8
175.11220	6.1
184.07359	27.4
193.12236	16.5
211.76007	1.3
249.15057	1.4
251.10178	1.4
265.25214	2.3
267.15939	100.0
268.16162	2.6
278.06918	1.3
309.17026	2.3
339.28967	76.4
340.29062	2.0
457.36771	3.2
531.40509	71.3
532.40564	4.0
549.41699	10.2
694.05847	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	20.7
56.05031	6.7
57.03431	12.3
57.07080	6.2
60.08166	9.7
61.02914	3.9
63.88316	4.5
65.03959	4.4
67.05177	6.2
67.05515	83.9
69.07075	21.0
71.07381	7.0
71.54501	6.4
74.15943	4.5
79.05492	52.5
81.07064	86.4
83.08624	12.2
83.41988	4.2
86.09712	35.6
91.05496	34.3
93.07050	65.9
95.08614	69.4
97.06534	6.6
97.10171	4.4
105.04535	4.7
105.07040	32.5
107.08609	43.1
109.10161	26.1
117.07041	11.8
117.64648	4.5
117.75841	4.5
119.08603	23.0
121.10169	26.7
123.11725	9.9
125.00002	16.2
131.08563	14.7
133.10144	23.0
135.11682	16.6
145.10167	14.5
145.36726	4.1
147.11693	19.6
149.13269	10.8
151.38710	4.6
157.10138	7.8
159.11702	15.0
161.13295	7.1
163.14923	6.3
165.67249	4.6
173.13271	7.5
184.07370	100.0
193.67616	5.1
247.20697	10.7
261.22131	8.8
268.61810	4.9
319.22607	5.6
321.24268	54.1
323.25803	5.0
335.25858	62.4
337.27258	5.4
573.09253	4.9
581.45618	16.7
599.46735	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	777.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
55.05507	2.2
55.89439	0.8
57.03436	2.5
61.02929	6.8
63.22120	0.7
65.03918	0.9
67.05511	8.2
69.03427	3.5
69.07076	1.7
71.55772	1.1
73.02920	3.9
79.05507	5.2
81.03422	3.0
81.07060	6.3
83.04958	0.9
85.02905	5.9
91.03978	4.3
91.05497	4.2
93.07065	5.3
95.04996	1.0
95.08608	4.7
97.02901	6.2
101.02389	2.2
105.07054	2.8
107.04957	0.9
107.08601	1.7
109.02938	1.1
109.10161	1.6
111.04500	1.3
117.07047	0.9
119.04937	0.8
119.08596	2.4
121.10184	2.2
123.08057	0.8
131.08543	1.2
133.06490	1.5
133.10161	1.2
135.11688	2.4
145.10124	2.1
147.04428	2.0
153.12674	0.9
161.06030	3.3
163.11224	1.4
184.07423	1.1
189.01834	1.4
243.08499	2.3
281.08228	1.9
281.13614	6.1
286.73914	0.8
289.89624	0.8
335.25894	1.5
433.57904	0.9
499.21387	4.1
519.29486	8.5
777.44006	100.0
778.44379	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	777.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
55.05522	2.1
56.96561	0.6
57.03434	2.2
57.46312	0.5
59.11544	0.5
61.02925	4.7
67.00284	0.5
67.05511	4.8
69.03424	2.6
69.07076	2.3
70.83609	0.9
71.01370	0.6
71.04987	1.0
73.02926	2.6
75.77071	0.6
79.05491	4.0
81.03425	3.9
81.07067	5.2
83.04987	1.2
83.08630	1.6
84.09527	0.5
85.02907	5.4
85.06641	0.5
86.09751	0.7
91.03954	2.9
91.05493	4.0
93.07047	4.2
95.04990	2.0
95.08625	2.2
97.02923	5.1
97.10191	0.9
98.97610	1.2
99.04468	1.0
101.02415	1.6
103.03946	0.8
105.07039	3.2
107.08620	2.4
109.02889	0.8
109.06538	0.9
109.10152	1.3
111.08115	0.7
112.99174	0.6
114.16383	0.5
116.98635	0.5
117.07027	0.8
119.08613	2.3
121.10168	1.4
127.03962	1.6
129.07056	0.8
131.00151	1.0
131.08603	0.8
133.10156	1.5
135.08075	0.8
135.11774	0.8
137.09595	0.7
143.00363	0.5
143.68837	0.5
145.10176	1.6
147.11729	1.2
155.91258	0.6
157.10133	1.0
163.11221	1.6
170.99664	0.7
175.11182	0.9
184.07430	1.3
184.12224	0.6
193.12331	1.0
206.42027	0.6
219.01779	0.7
243.08423	2.6
251.12639	1.1
287.18753	0.6
331.19003	0.9
333.20486	1.0
346.49631	0.6
450.12433	0.6
451.19391	0.8
467.18887	4.8
469.20520	4.8
549.26965	1.5
551.28192	2.4
679.33740	0.8
759.39441	2.0
777.40302	100.0
778.40808	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	777.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
55.05506	1.1
55.22917	0.6
55.91859	0.5
57.03435	1.3
59.69025	0.6
61.02934	4.4
67.05505	6.4
69.03437	2.7
71.05002	1.1
73.02919	2.6
78.60135	0.6
79.05507	2.2
81.03436	3.3
81.07060	2.7
83.08619	0.9
85.02899	5.0
91.03963	2.1
91.05478	3.0
93.07082	1.9
95.04980	1.4
95.08617	1.3
97.02909	3.8
97.06538	0.6
101.02400	1.5
105.07064	1.2
106.17641	0.6
107.04963	1.1
107.08599	1.4
109.02862	1.0
109.10149	5.9
111.08109	0.7
119.08586	1.3
121.10161	0.9
127.03963	1.6
131.08588	1.2
133.10173	1.0
135.11656	0.7
147.11707	0.8
149.09613	1.9
157.10139	1.0
173.11774	1.9
175.11284	1.1
176.62164	0.6
193.12251	1.3
195.10016	0.8
229.14526	1.3
241.13333	0.7
243.08536	2.3
251.22495	0.6
267.16013	1.6
283.15222	4.1
335.80344	0.7
339.17731	0.8
345.14432	6.2
376.98459	0.7
413.17831	14.5
414.18124	0.7
441.06720	0.6
469.20450	0.7
501.23062	12.1
507.19714	2.1
511.29376	1.0
613.31244	0.7
673.34076	100.0
674.34656	4.7
777.38861	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	777.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
55.05511	0.9
56.96553	0.4
57.03451	1.9
59.05005	1.2
61.02928	4.3
67.05511	7.0
69.03433	2.7
69.07072	0.5
70.01628	0.6
70.02043	1.2
71.04993	1.2
71.13113	0.4
73.02911	3.0
79.05513	1.9
81.03423	3.5
81.07069	2.9
83.05025	0.5
83.08621	1.3
85.02913	4.4
85.06554	0.4
86.09747	0.4
87.04507	0.4
91.03960	2.2
91.05488	2.4
93.07034	2.3
95.04985	0.8
95.08632	1.2
97.02885	3.9
97.06554	0.8
99.04469	1.3
100.04834	0.4
101.02393	1.4
105.07050	1.5
107.08585	0.9
109.02872	0.8
109.10165	5.1
111.08089	0.5
115.03951	0.5
119.07358	0.4
119.08577	1.8
121.10162	1.2
124.51357	0.4
125.09705	0.4
127.03938	1.2
129.07045	0.9
131.08582	1.4
133.10188	1.0
147.11734	1.2
149.09608	1.4
155.10678	0.5
157.10080	0.8
173.11774	1.6
175.11237	0.5
185.04211	0.5
193.12283	1.3
195.10001	0.8
203.05334	0.4
211.13416	0.6
225.14801	0.7
229.14444	1.2
243.08403	2.5
267.15982	1.3
274.93750	0.4
277.31006	0.3
283.08838	0.4
283.15198	4.3
285.10260	0.5
339.18024	1.1
380.41998	0.4
413.17838	14.0
441.21420	0.5
501.23108	15.0
502.23917	0.5
511.28912	0.8
517.22778	0.5
642.50037	0.4
646.93658	0.5
673.34094	100.0
674.34363	4.4
731.38757	0.7
759.37860	1.3
777.39038	10.0
778.38513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74062	0.6
57.38557	0.5
68.86835	0.5
69.07076	0.7
70.50388	0.6
71.15765	1.0
79.05495	1.1
81.07050	0.9
91.05479	0.7
93.07061	0.7
95.08609	0.8
97.02903	0.5
98.54167	0.6
105.07073	0.6
109.10162	0.6
110.04743	0.6
166.79509	0.7
226.16643	0.6
266.45947	0.5
267.09064	3.5
268.24408	0.7
285.10257	2.9
485.16992	1.8
517.20746	1.9
518.67560	0.8
673.33984	0.8
677.28082	0.8
699.35748	2.3
777.36731	100.0
778.36896	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	777.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	1.3
57.03447	2.1
61.02922	5.2
67.05506	5.6
68.78629	0.9
69.03432	4.5
69.07082	1.8
70.06589	1.4
70.13425	3.7
70.94133	0.8
71.05005	2.3
73.02928	3.3
79.05486	4.6
81.03419	6.2
81.07088	4.9
83.04991	1.4
83.08649	1.4
85.02908	5.7
91.03963	2.7
91.05486	5.0
91.06017	1.0
93.07061	5.1
95.04983	2.8
95.08628	3.1
97.02900	4.6
97.06537	2.2
98.97578	1.2
99.04496	1.1
101.02386	2.0
105.07072	3.6
107.04959	1.3
107.08619	2.9
109.02887	1.2
109.10161	1.2
119.08621	2.2
121.06517	1.3
121.10174	3.9
127.03950	2.0
129.07031	1.1
131.08591	1.8
133.10144	2.0
137.06035	1.2
145.58153	0.9
147.04445	2.2
147.11746	1.5
149.09697	2.8
149.30991	0.9
153.01941	1.0
157.10153	1.4
163.11255	1.2
193.12335	2.7
243.08606	3.2
267.09256	1.2
267.12241	2.4
267.16025	1.2
283.15302	3.3
285.10196	1.6
299.14642	1.0
337.11191	1.0
339.17935	1.4
401.25830	1.3
457.20853	1.1
460.57520	1.0
485.20068	6.4
501.23242	15.4
517.22430	1.8
583.31146	1.2
597.32568	1.2
691.38812	1.5
733.40082	2.6
745.36493	10.4
777.38940	100.0
778.39258	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	776.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.9
55.05518	46.2
57.03443	17.6
57.07068	3.6
59.05000	3.9
61.02916	4.1
65.03922	4.0
67.05512	100.0
68.05828	1.4
69.03409	5.9
69.06731	1.6
69.07078	21.4
69.35665	11.7
71.01358	2.6
71.04996	6.4
72.88076	1.2
79.05501	48.2
81.03432	7.8
81.07066	66.1
83.04991	7.9
83.08629	15.8
85.02909	19.0
85.06517	3.1
87.04468	6.6
91.03976	1.9
91.05489	33.8
93.07056	44.8
95.04957	5.7
95.08619	40.5
95.09239	1.5
97.02886	3.6
97.06532	5.2
97.10175	26.1
103.03965	2.0
103.05479	1.3
105.04476	1.5
105.07032	16.8
107.04954	2.1
107.08601	30.3
109.06522	3.0
109.10168	45.1
111.08075	3.6
117.06999	8.0
119.08585	16.1
121.10140	21.4
123.08047	3.4
123.11708	6.8
125.09639	21.2
127.03889	1.5
129.07024	3.2
131.08574	11.6
133.10164	12.6
135.08018	1.5
135.11726	12.5
137.09618	2.0
137.13290	1.5
139.11162	4.6
143.08560	1.7
143.10638	2.9
145.10121	11.7
147.11693	7.4
149.09599	3.0
149.13263	5.9
155.10637	2.5
157.10193	2.9
159.11705	4.9
161.13272	4.2
163.11183	4.1
163.14839	3.9
171.11743	2.3
173.11745	11.0
173.13272	4.3
175.11163	1.6
175.14862	1.9
181.12224	1.6
183.11711	2.0
184.07431	1.4
185.13164	1.5
187.14851	2.9
191.10568	1.9
193.12254	2.7
195.13792	1.4
199.13347	8.2
199.14877	2.2
209.11790	3.8
211.13173	1.9
217.14343	1.2
224.03677	1.4
227.12828	6.0
229.14348	31.5
243.21124	3.1
245.13756	3.3
247.16849	1.6
261.22198	10.3
267.15887	3.8
277.21741	1.8
285.17029	1.7
299.14908	5.4
301.16476	20.2
315.23337	1.9
319.17105	1.8
335.25836	53.1
336.26068	2.8
337.27194	5.1
363.25394	1.8
387.60254	1.4
459.35147	1.7
477.35999	7.6
489.35721	6.2
499.21542	1.4
501.34860	1.3
543.36646	3.9
561.38043	8.9
579.38727	3.1
776.41425	6.0
777.44409	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	776.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.3
55.05516	46.7
57.03439	16.8
57.07069	3.9
59.05001	3.1
61.02929	2.8
63.08326	0.8
63.97093	1.1
65.03946	5.1
67.05510	100.0
69.03442	5.4
69.07074	19.5
69.88542	3.2
69.88971	2.2
71.01357	1.4
71.04999	4.7
73.02919	1.1
77.03931	1.5
79.05500	51.7
79.05967	2.5
80.06253	0.9
81.03431	7.5
81.07062	68.2
83.04994	7.4
83.08627	17.4
85.02901	15.0
85.06536	2.4
87.04469	5.7
91.05489	34.0
93.07050	51.7
95.04987	6.7
95.08614	45.2
97.02886	4.3
97.06519	4.4
97.10172	21.0
98.20850	1.1
103.03944	1.4
105.04536	1.8
105.07037	19.2
107.04948	3.0
107.07873	1.4
107.08607	28.4
109.06532	3.5
109.10162	50.3
111.04431	2.0
111.08090	2.4
115.05445	1.5
117.07027	7.2
119.06000	1.2
119.08589	16.2
121.06503	2.1
121.10156	21.6
123.08068	3.3
123.11698	4.2
125.09631	20.7
128.06194	0.9
129.05479	1.4
129.07027	3.2
131.08586	11.1
133.10146	10.5
135.08044	1.8
135.11713	13.4
137.09650	4.5
139.11185	3.2
143.08597	1.5
143.10672	3.8
145.10114	10.1
147.04401	0.9
147.08022	1.5
147.11755	5.7
149.09590	2.2
149.13278	7.2
151.11147	1.4
153.12733	2.1
155.08586	1.5
155.10664	3.9
157.10110	2.7
159.11674	7.3
161.13284	5.3
163.11195	7.0
163.14804	3.3
165.12750	1.6
169.10139	1.0
171.11699	2.7
173.09573	1.4
173.11745	10.0
173.13275	5.8
175.14767	1.0
181.02367	0.9
181.12315	1.7
184.07423	1.8
185.13280	1.8
187.14809	3.7
189.11235	1.8
191.10663	2.6
191.14301	1.1
193.12224	1.9
199.13312	8.9
199.14853	1.5
203.12747	1.5
209.11739	3.2
211.13257	1.1
217.14394	1.8
227.12852	7.2
229.12096	1.6
229.14374	32.6
241.14249	1.3
243.21075	2.6
245.13861	1.8
259.20590	1.9
261.22165	14.6
267.15961	3.6
277.21515	1.5
283.15384	2.5
299.23846	1.3
301.16479	17.9
317.24847	1.9
319.17447	2.2
327.23120	1.4
335.25812	64.8
336.26215	2.2
363.25040	2.1
451.32047	2.2
469.33084	1.8
477.35822	9.8
489.35675	11.9
543.36456	4.0
553.37146	1.1
561.37762	8.6
579.38898	4.1
704.36591	1.1
777.43909	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01668	0.5
55.01878	4.7
55.05509	2.5
56.05007	0.8
56.96549	0.9
57.03431	0.6
57.98780	0.7
58.99588	9.0
65.03934	0.6
67.05506	4.9
69.03424	2.6
69.07065	3.6
70.06567	1.1
71.55116	0.7
71.55537	0.7
71.61879	0.5
72.04507	2.6
73.02924	0.8
76.02234	31.3
79.05502	4.8
81.03403	1.6
81.07060	8.3
83.04985	1.6
83.08623	1.3
84.04510	6.5
85.02913	3.5
86.00648	0.5
86.99043	1.4
88.02205	2.1
90.05560	21.3
91.04945	0.8
91.05471	5.2
93.07063	6.2
95.04961	1.7
95.08593	4.4
96.04517	0.6
97.01072	0.6
97.02870	1.9
97.06508	1.1
97.10159	1.3
100.02203	1.5
100.49640	0.5
104.01701	6.0
105.07028	5.5
107.04942	1.9
107.08592	2.7
109.02862	0.9
109.06507	2.6
109.10156	3.1
114.03755	0.9
116.01674	13.5
117.06998	1.3
119.08621	4.1
121.06506	2.4
121.10133	3.4
123.08075	1.4
123.11753	0.8
126.05514	0.7
127.03944	1.2
129.06650	1.2
130.03223	1.9
130.05019	4.3
131.08580	3.7
133.06493	1.1
133.10133	3.8
135.08038	0.7
135.11708	1.7
137.05946	0.9
137.09621	0.7
142.03226	5.3
145.06494	0.9
145.10138	3.7
147.05927	0.9
147.07997	0.7
147.11684	2.9
149.09619	1.7
149.13319	0.7
151.11234	1.1
157.10133	1.6
158.02725	52.5
159.07841	1.1
159.11678	2.1
161.09645	1.3
161.13243	1.1
162.53987	0.6
163.11212	1.2
167.07051	2.2
170.02736	1.1
171.11713	1.2
173.13271	1.2
175.05350	8.1
175.11174	1.4
176.03777	23.3
181.04939	1.3
187.05412	2.5
191.14293	1.1
193.06436	100.0
194.06619	0.6
197.13255	1.0
203.14317	0.8
207.13744	1.5
207.75282	0.5
208.06027	0.7
213.16412	0.6
215.04860	1.7
229.19507	1.1
233.05920	6.9
239.17973	1.0
241.06502	1.5
257.19025	2.0
259.07529	3.3
273.18570	3.1
275.20078	14.9
275.23074	0.9
291.19629	1.6
292.22650	0.7
293.21198	8.5
303.06384	1.6
305.07977	1.0
322.10709	23.3
322.14542	1.1
323.10992	0.7
350.21564	0.8
354.14679	0.7
368.22574	7.3
385.12469	0.7
389.19879	0.7
467.25803	12.4
468.25394	0.9
474.44559	0.6
485.26825	4.9
525.26245	1.7
594.06647	0.7
596.30402	1.7
614.31030	17.9
614.62158	0.7
615.31586	1.1
776.39740	1.0
777.38489	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.5
55.05508	2.2
57.03438	2.4
61.02926	4.2
67.05510	6.6
69.03431	4.2
69.07077	2.0
70.94028	1.2
71.04971	0.6
73.02921	2.7
79.05494	5.4
81.03416	2.1
81.07065	6.4
83.04993	1.0
83.08611	0.7
85.02906	4.2
91.03982	2.1
91.05476	5.4
93.07045	5.5
94.07423	0.7
95.05001	1.8
95.08621	2.3
97.02902	4.1
97.06556	0.8
97.10178	0.6
99.04493	0.9
101.02374	1.3
105.07038	3.8
107.08614	2.4
109.06535	0.5
109.10176	1.0
114.39202	0.6
117.07085	0.9
119.08578	2.1
121.10189	1.1
123.08116	0.6
127.03940	1.4
129.07013	0.8
131.08543	0.7
133.10150	2.2
135.11745	1.3
143.08594	0.9
145.10141	0.8
147.11716	1.7
149.09698	0.7
161.13286	0.8
163.11298	0.8
166.26332	0.6
184.07361	0.6
185.04268	0.8
243.08444	3.2
247.13179	1.6
316.31708	0.6
327.24368	0.6
333.20599	1.8
439.19781	1.4
453.21436	0.6
465.20966	7.3
551.28406	5.5
577.75250	0.7
775.42383	100.0
776.42651	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	775.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
55.05510	1.5
56.96566	0.8
57.03435	2.3
59.05014	1.0
61.02925	5.1
67.05511	4.6
69.03430	3.4
69.07066	1.2
70.01614	2.3
70.15932	0.5
71.01373	0.7
71.04996	3.6
73.02923	4.5
79.05501	4.3
81.03417	8.1
81.07056	5.6
83.04988	1.4
83.08620	2.6
85.02908	5.7
85.06538	1.2
87.04504	0.8
91.03957	2.4
91.05479	6.1
93.07037	3.8
95.04990	3.2
95.08609	2.9
97.02906	5.3
97.06543	1.4
98.21485	0.9
98.97598	0.7
99.04475	0.9
101.02392	1.4
101.07150	0.7
105.07053	4.7
107.04977	0.9
107.08611	1.7
109.02898	1.0
109.06532	1.7
109.10213	1.2
111.08099	1.7
117.06986	0.8
119.08600	3.7
121.09434	0.6
121.10149	3.1
127.03944	1.7
129.07031	1.7
131.08585	2.3
133.10182	1.9
137.06039	0.5
141.22202	0.5
147.11703	4.0
149.09700	1.8
157.10167	2.5
163.03923	0.7
163.11255	0.6
165.12823	0.9
175.11264	1.5
193.12291	2.9
203.05237	0.6
225.14944	0.9
243.08441	3.8
265.14273	1.9
267.09064	1.2
267.16147	1.2
283.15292	3.7
283.63065	0.5
285.10062	1.1
339.17896	0.8
411.43158	0.5
428.47134	0.6
451.19257	0.9
469.20828	0.8
483.22321	2.1
485.23911	1.0
501.23059	13.4
515.24750	8.6
577.11646	0.6
775.40887	100.0
776.40930	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
55.05518	2.5
57.03442	2.2
61.02926	4.7
67.05511	7.0
69.03437	3.0
69.07069	2.9
71.01371	0.6
71.04993	1.4
71.54751	0.5
71.55180	1.0
73.02932	3.3
79.05499	7.4
81.03432	2.6
81.07063	9.2
83.05003	1.0
83.08637	1.7
85.02909	4.0
85.06557	0.6
91.03973	2.6
91.05490	6.6
91.06023	0.7
91.89297	0.6
93.07048	7.0
93.27097	0.6
95.04942	2.8
95.08614	3.8
97.02898	5.0
97.06526	1.3
99.04463	0.7
101.02415	2.2
105.07047	4.0
107.04987	1.2
107.08591	3.6
109.02921	1.0
109.06560	1.5
109.10173	2.1
117.07080	0.9
119.08600	3.4
119.47593	0.5
121.06492	0.6
121.10171	1.6
123.08054	0.6
127.03935	1.1
129.07069	1.8
131.08612	0.9
133.10185	2.4
135.11676	1.5
137.09703	0.7
143.08620	0.8
145.10197	1.7
145.47179	0.6
147.11678	2.7
149.13239	0.8
171.11731	1.3
173.13287	0.8
203.05182	0.8
243.08426	2.8
243.30283	0.6
247.13127	0.9
276.86801	0.6
303.15741	1.0
303.19388	0.6
333.20551	1.4
439.19550	0.9
453.21231	0.8
465.20993	9.7
551.28351	4.6
611.29779	0.6
675.71930	0.5
677.53717	0.6
775.42365	100.0
776.42572	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	775.388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
55.05525	3.4
55.16706	0.6
56.96571	1.6
57.03436	2.1
61.02940	4.0
67.05526	5.5
68.20016	0.6
69.03438	2.8
69.07071	4.8
70.58897	0.9
70.59274	1.3
71.04992	1.1
73.02934	3.0
79.05495	4.2
81.03426	2.7
81.07065	4.9
83.05013	1.4
83.08627	1.4
85.02908	5.0
87.14864	0.7
91.03947	0.9
91.05479	3.7
93.07043	5.2
95.04987	2.6
95.08637	3.5
97.02912	4.1
97.06536	0.7
97.10192	1.6
98.97596	2.5
99.04474	0.8
101.02374	1.0
105.07056	1.9
105.28700	0.6
107.04990	1.3
107.08597	3.8
109.02866	1.1
109.06567	0.6
109.10180	1.8
110.97565	0.8
112.99148	0.8
116.98628	1.4
117.07036	2.0
119.08607	2.6
121.10172	2.4
125.09643	1.3
127.03907	0.9
130.05719	0.7
131.00198	1.3
131.08566	0.7
133.10165	1.0
135.11688	3.7
137.09586	0.7
145.10081	3.2
147.11710	0.8
149.01250	1.3
158.99734	1.1
163.11198	4.9
170.99731	1.4
177.00807	0.8
189.00838	0.8
219.01820	1.0
219.10004	0.8
223.13370	1.9
227.12871	3.4
243.08389	3.8
249.11003	6.2
285.17078	1.1
291.19647	2.0
293.05511	1.7
293.12988	0.6
293.21072	0.7
301.09192	0.7
305.13705	2.8
317.17953	0.9
321.04816	4.0
331.19061	1.2
387.21323	1.0
437.09879	1.0
455.10968	1.7
465.20755	0.8
467.18939	13.6
549.26813	6.4
560.36523	0.7
715.32330	1.6
775.38812	100.0
776.39008	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	774.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.6
55.05513	18.1
57.03444	18.4
65.03952	2.1
67.05511	56.6
69.03422	2.3
69.07074	13.2
70.66443	3.3
70.66777	2.1
71.04986	3.5
76.17870	1.4
79.05500	43.7
79.05965	2.6
81.03423	87.1
81.07060	60.7
81.62663	1.5
83.04994	4.0
83.08620	17.1
84.12274	1.5
85.06538	2.7
91.05486	34.9
93.07047	40.6
95.04972	28.2
95.08613	42.0
97.02892	3.5
97.06518	3.1
97.10160	7.8
99.08117	1.7
105.07038	24.8
107.04935	6.4
107.08611	23.7
109.06509	4.6
109.10168	19.3
111.04375	2.1
111.08089	9.0
112.25886	1.6
115.05458	2.8
117.07024	5.7
119.08591	23.8
121.06516	2.9
121.10140	21.6
123.04448	1.6
123.08051	2.9
123.11694	7.3
125.09608	4.3
129.07050	8.0
131.08562	21.8
133.06445	2.3
133.10139	13.4
135.08067	2.4
135.11716	13.0
137.09648	2.2
137.13280	3.1
142.07814	2.1
143.08583	2.2
145.10117	10.9
147.08089	3.7
147.11705	12.8
149.09636	5.9
149.13264	6.1
157.10115	7.6
159.11674	7.9
161.13264	6.1
163.11206	3.0
163.14842	3.8
171.11769	2.9
173.13274	4.2
175.11243	7.8
175.14923	1.7
187.14810	3.5
189.11195	2.2
193.12262	23.3
201.16411	1.8
211.13217	1.8
227.12785	6.2
235.13278	2.9
243.21111	4.7
249.14870	1.9
261.22137	19.4
267.15918	100.0
268.16324	2.6
301.25214	7.3
309.17035	3.0
317.24728	3.5
335.25815	98.4
336.26169	3.8
417.26102	1.8
421.26138	3.3
435.27200	2.8
435.32666	4.2
453.33484	6.2
471.34677	3.7
527.37323	67.3
528.37799	2.9
545.30518	2.9
545.38409	47.2
569.38226	4.8
743.73816	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	775.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.7
56.96567	26.3
57.03438	2.4
67.05516	11.2
68.05827	1.4
69.03439	1.8
69.07066	3.6
69.46208	11.5
71.04985	1.8
71.95260	2.6
79.05495	7.7
81.03423	3.3
81.07061	12.3
82.07393	1.6
83.04988	2.4
83.08624	2.9
84.96047	3.9
85.02885	2.1
91.05489	7.2
93.07059	8.3
95.04951	2.9
95.08593	4.3
97.02889	2.1
97.06510	2.4
98.21556	3.2
98.97595	69.6
99.41725	1.8
105.07025	4.1
107.08559	3.2
108.08961	2.3
109.06445	1.8
109.10148	2.8
110.97578	23.5
112.99146	22.3
115.35305	1.6
116.98631	22.1
117.07016	1.8
119.08604	3.5
121.10151	4.0
122.10507	1.9
124.99140	3.8
128.98605	20.4
129.07089	1.6
131.00186	28.0
131.08574	2.6
133.10152	2.4
134.99672	4.3
135.11679	3.1
140.00224	4.3
140.98593	4.6
143.00168	16.9
145.10114	2.6
146.99649	5.7
147.11665	5.3
148.60667	1.5
149.01234	28.7
152.00142	2.1
152.98599	4.1
154.01756	2.1
155.00172	3.1
158.98473	2.4
158.99680	35.2
159.11699	2.5
161.01225	6.4
163.11205	2.1
165.50856	1.6
167.02274	4.2
170.99660	40.6
171.46118	1.7
172.02821	2.7
173.01236	8.6
174.56834	1.5
177.00723	25.8
182.99660	1.5
184.07304	2.6
185.01237	7.7
189.00726	29.5
191.02318	8.1
194.99800	3.6
195.01782	3.0
199.02834	8.4
200.02258	2.5
201.00716	10.3
201.66666	1.4
203.02283	6.8
207.01773	2.1
209.01239	2.4
212.02310	5.1
213.00755	6.9
215.02255	3.2
217.03830	4.9
219.01773	18.5
227.02304	3.6
231.01723	3.3
233.03416	3.7
237.02899	7.5
249.10951	1.9
261.02899	19.6
267.15942	3.4
268.16309	2.2
269.17276	1.7
275.04367	12.7
279.03928	18.2
285.16931	5.1
291.03854	5.0
293.05453	36.5
297.04971	6.8
302.05624	1.8
309.04947	4.7
311.06503	9.4
316.07019	2.1
317.17984	24.2
321.04968	100.0
334.08191	2.9
335.18793	8.2
339.05981	5.7
359.19055	2.1
362.07547	4.3
381.06967	6.9
437.09702	21.4
455.10800	43.8
467.19043	1.9
539.25134	6.4
549.26862	2.7
553.26575	5.9
560.36377	3.9
577.37006	2.1
715.20227	2.4
715.32135	32.9
775.38574	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	774.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05307	1.9
55.05517	23.4
57.03443	18.9
65.03921	3.6
67.05511	74.9
69.03421	4.6
69.07073	15.7
69.37321	8.0
69.37746	8.1
71.04983	5.6
75.35503	1.8
76.63417	2.2
79.05075	3.2
79.05502	51.7
81.03425	98.2
81.07062	73.5
83.04984	7.9
83.08627	23.5
84.57837	2.0
85.06558	2.7
90.09993	2.0
91.05489	46.4
93.07054	51.1
95.04980	30.8
95.08619	48.9
97.02921	3.3
97.06532	5.4
97.10148	8.1
98.20802	5.0
105.07038	29.7
107.04942	6.4
107.08615	29.0
109.06518	4.7
109.10167	21.9
111.08094	9.9
117.07017	9.0
119.07820	2.3
119.08594	24.4
121.06499	4.0
121.10149	28.5
123.08035	2.9
123.11694	6.5
125.09618	2.4
128.06151	2.2
129.07027	13.2
131.08551	23.4
133.06497	5.0
133.10144	17.2
135.11705	13.7
143.08560	2.3
145.10136	13.8
147.08047	5.8
147.11708	15.9
147.99860	2.1
149.09595	6.1
149.13266	6.9
157.10123	10.4
159.11720	7.6
161.13263	6.9
163.11171	3.7
163.14806	5.6
165.12767	2.8
169.10138	3.5
171.11725	4.1
173.13272	3.8
175.11285	10.2
175.14861	4.2
177.12785	2.4
180.17235	2.3
187.14851	3.0
189.11241	3.9
193.12300	25.5
227.12836	5.7
243.21098	6.8
249.14799	2.7
261.22183	18.0
267.15930	100.0
268.16196	2.5
301.25275	6.9
309.16901	2.4
317.24777	4.2
328.49255	2.5
335.25839	86.6
335.29941	4.5
435.27139	3.0
435.32657	5.2
453.33682	7.2
471.35184	3.1
527.37396	56.6
545.30530	3.0
545.38440	45.4
569.38147	3.5
643.99854	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	774.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	12.5
55.05517	46.9
57.03443	27.5
57.07078	3.7
61.02926	5.1
65.03938	3.8
67.05511	88.1
69.03432	15.6
69.07082	44.1
71.04980	11.2
71.55481	3.9
73.02937	3.0
73.70462	2.3
79.05501	81.2
81.03426	79.2
81.07062	100.0
83.04987	28.9
83.08621	34.5
85.02908	33.0
85.06538	7.7
91.05487	80.5
93.07053	75.4
95.04973	38.0
95.08617	41.9
97.02879	9.1
97.06541	23.9
97.10182	18.1
99.04430	3.1
99.08112	6.2
103.05447	2.6
105.07042	65.1
107.04950	19.8
107.08605	52.4
109.06498	10.0
109.10154	18.2
111.04437	3.3
111.08074	13.1
113.06000	5.4
115.05474	4.3
115.70844	2.3
117.07037	18.6
119.04957	3.2
119.08587	51.1
121.06492	5.2
121.10163	27.4
123.08063	9.3
123.11713	4.7
125.09641	15.6
127.03912	5.4
128.06253	5.0
129.07010	14.4
131.08586	29.4
133.06516	4.1
133.10135	39.6
135.08070	7.3
135.11719	12.1
137.09601	4.8
139.11238	3.4
142.07776	3.4
143.08527	6.5
145.06590	3.2
145.10120	25.3
147.08101	4.1
147.11697	26.2
149.09630	29.3
149.13292	12.2
151.11180	3.0
155.08600	4.7
157.10162	17.8
159.11700	16.8
161.13275	5.7
163.11136	13.4
165.12701	4.9
169.10080	3.5
171.11661	3.7
173.13272	6.3
175.11194	19.0
175.14767	2.8
175.56612	2.5
177.12753	5.2
179.14340	3.5
181.12138	3.8
183.11578	3.5
187.11143	3.4
189.11195	6.4
193.12263	53.2
195.13795	7.5
197.13295	3.3
211.13316	72.6
227.12766	17.9
247.20836	2.9
253.18149	2.7
255.15910	12.1
257.18997	10.6
267.15936	35.7
269.17505	28.5
273.18500	3.2
275.20102	48.0
285.16989	65.0
287.15839	2.6
293.20981	4.6
349.19785	3.9
349.23761	41.9
349.27707	4.8
367.24844	6.3
424.71143	3.2
443.28177	3.0
447.27335	7.5
461.29193	22.7
463.29938	3.5
465.28766	16.6
479.30078	53.9
491.30585	2.7
541.35278	23.0
559.36304	47.4
577.37457	6.0
623.34277	3.0
774.37842	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	774.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.9
55.05275	1.5
55.05515	23.7
55.62464	1.5
56.12640	1.4
57.03440	12.9
57.07067	2.4
61.02919	4.2
64.47172	1.4
65.03928	4.8
66.68446	1.5
67.05511	64.2
69.03418	4.5
69.07069	15.7
71.01361	14.7
71.04993	5.6
73.02908	2.3
75.65911	1.6
79.05498	50.9
81.03394	4.3
81.07065	59.0
83.04971	4.7
83.08628	10.8
85.02905	5.1
85.06535	3.2
87.70963	1.4
91.05489	31.8
93.06475	2.9
93.07052	51.4
95.04973	5.6
95.08611	41.5
97.02876	3.9
97.06516	4.3
97.10176	11.5
105.07034	21.8
107.04930	2.8
107.08603	28.4
109.06517	5.9
109.09454	2.4
109.10159	24.4
111.08112	2.1
117.07027	9.6
119.08586	13.4
121.10152	18.6
123.08051	3.4
123.11675	4.4
125.09632	4.8
125.51675	1.5
131.08571	12.0
132.12206	1.4
133.10152	10.5
135.08069	4.9
135.11676	12.7
137.09642	2.1
138.89720	1.5
139.11191	2.6
143.08585	2.1
145.10123	10.0
147.11662	4.5
149.13297	8.3
151.11215	1.8
153.09146	2.3
159.11700	5.1
161.09586	2.9
161.13266	4.1
163.11226	2.2
163.14839	3.0
173.13220	5.8
187.14850	2.3
225.11288	12.3
227.12787	1.6
243.21057	6.7
261.22153	24.9
267.15875	2.3
299.14914	94.5
300.15009	1.7
315.23203	2.1
317.15884	2.6
317.24759	5.7
335.25830	100.0
336.25916	3.9
341.12131	1.6
485.32599	1.8
499.33398	1.7
541.35004	5.3
559.36322	52.0
577.37122	5.6
740.32043	1.7
774.42224	1.7
775.40240	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	774.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	9.1
55.05272	1.5
55.05518	27.8
57.03446	17.0
58.55795	1.3
61.02926	5.0
65.03952	4.9
67.05509	52.8
69.03419	7.0
69.07072	21.9
70.15873	5.1
70.16219	1.1
71.01358	1.5
71.05009	6.5
73.02909	1.1
79.05500	51.9
81.03428	58.4
81.07063	100.0
82.07394	1.3
83.04991	17.8
83.08627	30.5
85.02910	20.7
85.06540	4.7
91.03959	1.5
91.05489	55.2
93.07053	42.5
95.01315	1.6
95.04974	27.8
95.08616	35.0
97.02914	4.7
97.06538	13.6
97.10162	5.3
99.04442	2.1
99.08109	2.0
105.07039	43.6
107.04972	15.7
107.08605	25.7
108.08911	1.2
109.06525	24.2
109.10183	12.1
111.04454	4.4
111.08094	11.8
113.06027	2.8
115.05488	1.8
117.07024	13.1
119.08588	36.9
121.06507	7.0
121.10152	21.0
123.08082	9.6
123.11692	6.8
125.09656	4.0
128.06189	1.8
129.07014	12.9
131.08585	23.5
133.06494	4.2
133.10138	21.5
135.08073	5.7
135.11693	7.9
137.09654	4.9
142.07814	2.8
143.08586	4.1
145.06548	1.7
145.10130	13.7
147.08057	4.5
147.11699	29.3
149.09639	13.6
149.13255	7.0
151.11218	3.3
155.08539	1.5
157.10153	15.4
159.11725	10.3
161.09602	3.1
161.13301	3.2
163.11201	8.6
163.14854	1.8
165.12787	7.0
169.93477	1.3
171.11717	2.8
173.13261	3.6
175.11201	10.2
177.12749	2.8
179.14357	1.5
184.07457	1.8
186.35425	1.3
187.11221	2.2
187.14932	2.0
189.11334	1.8
193.12260	32.2
195.13666	1.3
197.13330	2.9
211.11313	2.9
211.13307	42.9
212.13628	1.6
214.59175	1.5
215.17889	1.3
217.15936	1.3
219.13802	1.5
227.12741	3.9
229.19467	2.1
239.17975	2.7
247.20627	4.2
255.15918	1.5
257.19003	5.3
267.15906	25.5
269.17496	9.6
270.17798	1.4
273.18576	2.2
275.20074	51.2
285.16971	50.6
291.19662	2.6
292.05032	1.3
293.21097	11.6
349.23792	28.0
367.24792	34.7
369.23935	1.4
447.27530	2.4
461.29141	7.6
462.12088	1.5
467.32004	1.4
479.30200	12.5
485.32608	2.3
541.35229	28.9
542.35803	1.7
559.36377	50.1
560.36945	3.1
577.37451	45.0
578.37683	2.9
774.36517	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62922	1.9
55.01862	8.0
55.05517	38.8
57.03439	24.5
61.02907	6.7
63.41810	1.9
65.03933	6.1
67.05508	89.0
69.03431	14.0
69.07072	34.2
69.25577	9.2
69.26015	12.6
70.59841	2.2
71.04994	11.2
73.02922	2.5
79.05495	77.1
81.03422	82.6
81.07059	100.0
83.04984	29.3
83.08620	36.5
85.02903	34.8
85.06522	7.8
87.04450	3.1
91.03986	2.4
91.05484	78.2
93.07043	67.5
95.04968	40.9
95.08060	3.0
95.08615	31.8
97.02885	8.6
97.06531	17.0
97.10164	11.2
99.04479	2.5
99.08056	5.0
105.07033	58.0
107.04987	12.5
107.08599	36.0
109.06532	11.1
109.10147	14.1
111.04422	6.7
111.08083	16.7
113.06026	4.9
115.05441	5.1
117.07004	17.4
119.07801	3.3
119.08588	41.8
121.06493	5.0
121.10153	23.0
123.08073	6.4
123.11697	6.6
125.09615	6.2
127.03905	4.9
127.07671	2.6
129.07005	20.2
131.08563	33.3
133.06479	9.3
133.10144	28.7
135.08032	6.1
135.11726	16.4
137.09641	5.3
141.07010	2.7
142.07776	4.4
143.08546	3.7
145.10152	18.1
147.08038	5.9
147.11656	23.5
149.09642	14.0
149.13263	14.0
151.11191	2.9
155.08585	4.3
157.10146	21.1
159.11668	13.9
161.13269	2.8
163.11217	9.7
165.12769	5.5
169.10156	4.0
171.11717	4.0
173.13231	4.4
175.11205	15.4
177.12767	4.0
179.14299	3.8
184.07368	2.3
187.14879	3.0
193.12254	54.6
195.13818	8.6
211.13284	71.6
227.12671	3.6
255.15857	10.7
257.18927	5.9
267.15915	36.5
269.17529	41.7
275.20047	25.3
285.16971	66.6
331.22595	2.6
340.56100	2.4
349.23761	23.4
367.24661	2.8
369.24640	2.9
396.86325	2.5
413.21741	2.8
443.28156	3.9
447.27631	13.1
461.29028	33.0
465.28537	16.3
479.30038	90.0
480.30215	3.1
541.35187	12.6
559.36334	22.0
560.37012	2.9
574.65436	2.6
577.37506	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	774.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	13.4
55.05513	42.7
55.71001	3.2
56.83221	2.8
56.96581	3.8
57.03434	12.8
65.03954	4.8
67.05511	63.3
69.03423	12.1
69.07063	36.1
71.05003	7.9
71.54950	3.6
71.55386	5.6
79.05064	5.2
79.05499	75.6
81.03421	73.1
81.07060	65.5
83.04974	27.3
83.08624	38.5
85.02922	23.1
85.06543	4.7
91.04964	5.7
91.05490	65.7
93.07047	50.0
95.04974	28.9
95.08601	29.0
97.02901	8.0
97.06585	16.0
97.10182	45.9
99.04436	3.8
99.08111	3.6
101.51172	3.4
103.05450	5.1
105.07043	56.1
107.04954	15.3
107.08606	64.3
109.02852	3.5
109.06532	13.9
109.10182	17.1
111.04490	3.8
111.08082	11.9
117.07017	13.8
119.08580	41.2
121.06509	4.2
121.10183	22.7
125.09644	31.0
127.03924	4.5
129.07014	13.4
131.08588	22.9
133.06552	4.8
133.10147	29.1
135.08073	7.0
135.11658	5.4
137.09657	4.4
142.07707	3.2
145.10109	19.1
147.11694	25.7
149.09605	21.7
149.13188	3.9
153.09055	4.2
157.10129	17.7
159.11700	13.0
161.09579	3.6
161.13271	3.5
163.11148	9.3
164.48215	3.4
171.10184	5.8
171.11630	7.5
173.13277	5.4
175.11230	13.7
183.11603	3.3
184.07298	4.1
189.11182	16.1
193.12257	36.5
211.13321	66.7
227.12793	70.3
229.14307	5.1
229.19376	4.6
257.19049	11.0
262.18005	7.0
267.15961	28.3
275.20056	57.3
285.16956	62.6
293.21173	3.8
331.22736	5.0
349.23792	57.2
437.25473	9.2
455.26309	15.4
459.27829	4.3
463.30502	5.9
523.34692	4.1
541.35168	47.7
559.36414	100.0
560.36591	4.2
577.37177	10.9
584.02118	3.8
658.09833	3.9
775.37726	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.52
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	30.7
57.03455	16.8
57.07085	6.5
61.02928	20.1
61.48000	2.5
65.03928	6.7
67.05179	6.0
67.05513	98.4
69.03423	10.0
69.07075	31.4
71.00346	6.2
71.05007	7.2
73.02897	6.4
79.05067	6.2
79.05503	94.7
81.03430	6.3
81.07066	100.0
83.08620	11.1
85.02933	14.7
85.06577	4.8
91.03963	6.2
91.05489	84.0
93.07056	93.2
94.04538	2.8
95.04971	9.4
95.08055	5.5
95.08621	72.0
95.20958	2.9
97.02888	15.6
97.06517	4.6
97.10157	7.3
99.08097	5.1
102.03030	3.5
105.07042	85.4
107.08609	49.9
107.55048	3.3
109.06537	5.3
109.10169	32.5
111.08069	5.7
115.05447	5.8
117.07041	35.7
119.08590	63.5
121.06493	3.4
121.10160	42.4
123.08098	3.5
123.11723	11.9
125.09651	4.5
128.06277	3.5
129.07033	19.1
130.07787	4.4
131.08577	47.0
133.10152	50.7
135.11731	24.6
137.09581	3.8
140.78444	3.3
141.06969	5.5
143.08546	19.3
145.10149	33.9
147.11700	49.4
149.09605	3.3
149.13260	20.0
155.08582	9.5
157.10153	25.1
159.11720	33.8
161.13278	30.3
163.14835	8.4
169.10173	10.0
171.11687	23.1
173.13298	23.0
175.14867	18.2
183.11684	9.2
185.13339	18.5
187.14799	9.0
189.16412	4.3
195.11804	5.9
197.13284	7.3
199.14873	12.7
201.16463	5.3
203.14325	2.9
209.13341	3.9
211.14705	3.6
213.16399	5.8
215.17944	5.9
231.21144	6.1
239.18002	4.2
241.19565	25.5
243.21001	3.6
251.17992	4.6
257.19016	9.0
259.20609	51.4
261.22220	10.3
275.20108	4.1
301.21521	7.2
303.23343	3.3
315.23123	4.9
317.24606	3.1
325.21387	4.1
333.24335	34.2
335.25879	83.5
337.27396	4.8
367.22894	3.2
403.24619	3.2
416.35703	3.0
519.42426	5.5
537.42963	4.5
593.45251	10.9
609.45306	3.6
611.46765	90.7
612.46747	4.8
701.47522	5.3
748.24286	3.3
755.49658	3.5
770.77264	3.1
773.51917	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	773.52
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.0
55.05513	31.2
57.03441	13.5
57.07060	4.6
58.97937	2.2
61.02924	15.6
65.03938	6.0
67.05509	96.5
69.03415	9.1
69.07070	27.7
69.07933	2.2
69.61907	16.0
71.04990	4.3
73.02913	4.7
79.05070	4.0
79.05498	75.9
81.03409	9.0
81.06589	5.1
81.07061	100.0
83.04975	5.5
83.08629	12.1
85.02924	12.1
85.06529	4.3
91.03938	5.3
91.05485	75.1
93.07051	79.5
95.04967	7.5
95.08613	70.6
97.02905	13.8
97.06522	6.1
97.10156	4.9
98.20757	5.0
99.08070	3.0
101.02378	2.5
103.05465	2.9
105.04483	4.3
105.07034	69.7
106.76502	2.3
107.08601	45.0
109.06499	6.4
109.10167	25.7
111.08087	2.8
115.05351	2.8
117.07024	27.3
119.08589	57.7
121.06377	2.3
121.10147	33.8
123.11669	6.9
128.06218	4.7
129.06996	15.3
131.08571	36.6
132.09000	2.3
133.06410	3.1
133.10139	38.9
135.08095	2.5
135.11719	23.3
137.09570	4.1
141.06961	4.7
143.08557	17.9
145.10123	37.4
147.08058	3.7
147.11702	31.3
149.09604	3.0
149.13260	10.3
149.89445	2.4
151.11227	3.8
154.31081	2.1
155.08533	7.5
157.10123	22.2
159.11688	25.3
161.13278	28.0
163.11110	3.6
163.14790	6.8
167.08542	3.2
169.10112	8.0
169.97891	2.2
171.11694	18.7
173.13280	20.8
175.14832	15.9
181.10107	5.5
183.11710	10.4
184.07367	4.0
185.13246	14.1
187.11244	4.1
187.14848	11.1
189.12659	3.8
195.11630	4.7
197.13319	3.3
199.14827	10.9
201.16408	5.1
207.11694	3.8
209.13239	3.4
211.14844	4.4
213.16412	3.8
215.18007	3.6
217.19511	3.6
221.15430	2.6
231.21165	4.0
239.17787	3.8
241.19534	23.6
243.21140	4.2
253.19589	2.9
257.18936	9.0
259.20593	43.6
261.22205	4.9
275.20108	7.1
277.21536	4.2
313.21631	3.2
333.24249	32.0
335.25815	73.0
335.93405	3.0
336.25925	3.2
337.27078	4.5
342.22882	2.6
351.25452	3.9
367.22635	5.8
385.23828	4.8
393.26410	2.8
403.24274	3.0
519.42224	4.1
593.45483	9.8
611.46619	73.8
612.46619	4.1
701.47827	3.9
719.49109	3.6
737.48920	4.4
755.50201	4.0
773.42914	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	773.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72963	0.6
55.01866	1.2
55.05519	3.5
57.03440	2.1
61.02930	5.2
63.08593	0.6
67.05507	10.1
69.03430	3.8
69.07060	3.0
69.23306	3.1
69.23737	2.2
71.01366	1.4
71.04992	1.2
71.12589	0.6
73.02919	4.1
79.05489	9.4
81.03437	3.7
81.07061	10.2
83.04979	3.1
83.08624	1.7
85.02912	5.6
91.03968	2.8
91.05487	7.8
93.07047	8.6
94.07378	0.6
95.04993	2.5
95.08609	5.8
97.02902	4.5
97.06547	0.8
97.10204	1.1
98.20765	1.0
99.04482	0.7
101.02383	1.4
105.07043	5.5
107.04979	1.1
107.08600	3.7
109.02956	0.6
109.06535	1.4
109.10191	2.6
111.08162	0.6
117.07030	2.3
119.08577	4.3
121.06506	1.1
121.10182	1.7
123.08125	0.8
123.11753	0.7
125.09637	1.0
127.03938	1.3
128.06187	0.7
129.07030	1.4
129.61250	0.6
131.08612	1.1
133.06589	0.6
133.10110	3.3
135.08044	0.8
135.11690	1.0
143.08566	1.0
145.10190	0.8
147.11671	3.2
151.11226	1.3
161.09654	1.0
161.13298	1.2
171.11768	1.6
173.13205	0.6
185.74112	0.6
189.12625	0.7
193.12440	0.7
243.08516	3.7
243.99553	0.7
247.13231	1.0
251.53157	0.6
260.34390	0.6
261.22299	1.4
299.14932	5.3
303.15939	0.7
313.17978	0.8
331.18982	2.7
335.25772	5.7
339.39053	0.6
404.00638	0.6
451.19373	1.0
465.20984	10.5
531.25964	1.4
537.23346	1.2
549.26837	3.9
559.36420	2.2
613.03064	0.6
675.33789	2.6
704.33350	0.7
755.39764	9.5
773.40820	100.0
774.41290	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	773.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74951	0.5
55.01875	1.3
55.05518	3.7
57.03441	1.4
61.02932	3.7
67.05508	5.5
69.03430	3.6
69.07078	4.0
71.04985	1.0
73.02926	2.9
79.05507	7.8
81.03410	3.0
81.07063	6.7
83.04985	1.5
83.08627	1.2
85.02925	4.3
91.03966	1.7
91.05488	4.8
93.07046	4.9
95.04980	2.0
95.08625	2.8
97.02900	4.1
97.06522	0.6
97.10189	2.2
101.02393	0.9
105.07028	3.4
107.04993	1.2
107.08566	2.9
109.02882	1.0
109.10211	1.2
117.07072	1.6
119.08605	1.8
121.10162	0.8
122.99550	0.4
123.08151	1.0
125.09663	1.2
126.04771	0.6
127.03972	1.3
129.07050	1.4
131.08597	1.0
133.10172	1.7
135.11690	0.7
143.08676	0.8
145.10161	0.7
145.62361	0.5
147.08003	0.8
147.11739	1.4
147.38615	0.5
161.13374	1.0
171.11720	1.2
185.04395	0.7
223.13416	1.9
229.51318	0.6
243.08453	3.0
291.19785	1.3
331.18954	1.4
465.20917	8.7
549.26697	4.6
605.08978	0.6
773.40851	100.0
774.41333	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	773.2137
Annotation	Quercetin 3-(3R-glucosylrutinoside)
Peak:m/z	Relative Intensity
55.01863	0.2
57.03446	1.4
61.02926	0.4
67.80405	0.2
68.99790	0.4
69.03450	1.1
70.12978	0.3
70.13393	0.6
71.05000	7.7
73.02908	0.4
75.04474	0.4
81.03410	0.6
83.04964	0.6
85.02914	10.8
87.04461	0.3
97.02914	1.1
98.20874	0.3
99.04454	0.4
109.02891	0.6
109.57500	0.2
111.00791	0.7
111.04472	0.3
121.02864	0.7
123.04425	0.3
127.03910	1.1
129.05499	2.2
135.04488	0.3
137.02354	2.6
139.03928	0.3
145.05002	0.5
147.06538	0.5
149.02328	0.6
151.03853	0.2
153.01854	2.4
161.06001	0.3
163.03955	0.4
165.01831	1.5
166.02614	0.3
179.03415	0.3
183.02905	0.8
187.03851	0.2
191.03423	0.2
201.05515	1.1
207.02914	0.3
219.06609	0.3
229.04979	3.1
229.07072	0.3
247.06100	0.9
257.04471	2.6
274.04736	0.4
285.03961	1.1
286.04532	0.2
287.05450	0.4
299.05548	0.5
303.05017	100.0
304.05374	2.3
310.04868	0.3
311.05664	0.3
317.06775	0.2
329.06512	0.5
341.06653	0.4
345.06110	0.4
353.06342	0.5
395.07605	0.3
449.10843	0.5
465.10361	20.9
466.10638	0.6
473.10611	0.3
492.31848	0.2
497.10986	0.2
551.25757	0.2
557.13550	0.2
611.16406	0.3
757.40558	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2139
Annotation	Hypolaetin 8-glucoside-3'-rutinoside
Peak:m/z	Relative Intensity
55.01863	1.8
56.96561	2.2
57.03421	2.5
61.02922	1.6
66.11757	1.1
69.03429	2.2
69.41161	10.0
71.38808	1.3
73.02912	1.7
78.00722	1.1
81.03423	2.2
85.02910	9.5
91.72898	1.1
97.02896	2.1
98.97597	1.6
101.99928	1.3
103.03937	1.7
109.02881	2.6
111.28130	1.2
127.03917	3.5
135.04404	6.0
137.02361	24.3
137.05971	1.4
139.03925	2.9
147.04410	1.9
151.03886	2.9
161.02332	4.2
161.53342	1.2
162.10107	1.2
163.03947	2.7
173.02396	1.7
177.05437	1.4
179.03397	3.6
189.01842	4.6
189.05554	1.9
191.03419	3.7
195.02951	3.4
201.05466	2.9
203.03400	8.3
204.04033	1.5
205.04901	1.7
207.02846	7.5
215.03215	1.7
219.02835	4.9
221.04381	2.7
227.03542	1.8
229.05009	3.5
231.03078	1.7
233.04390	2.7
255.02834	1.9
257.04492	2.5
271.97217	1.2
283.05957	2.2
284.06845	3.3
295.06039	5.6
296.06967	2.1
297.04364	1.4
297.07623	6.0
299.05560	8.0
300.06094	1.5
303.05182	2.3
309.07648	2.5
310.04706	21.0
311.05515	67.9
312.06207	8.7
313.07071	8.4
321.07684	1.8
323.05539	49.8
324.06241	17.4
325.07141	11.8
325.37891	1.3
329.06506	6.2
333.07407	1.7
335.05487	7.0
335.09067	2.6
336.06226	4.0
337.07114	21.8
338.07907	11.0
339.04984	3.4
339.08609	4.6
341.06570	100.0
342.06989	3.3
345.07434	1.7
348.06665	1.4
349.07095	7.5
351.04700	2.6
351.08591	11.1
352.05710	3.1
353.06564	69.4
354.07047	1.8
355.08032	2.0
355.13214	1.4
361.06964	2.8
362.07782	2.7
363.04843	2.1
363.08682	11.8
365.06546	34.0
365.10336	1.3
366.07236	2.2
367.08215	26.1
371.07703	16.1
373.07254	2.3
377.06509	15.1
377.10611	2.4
379.08032	6.5
381.09744	13.4
383.07513	5.7
389.06445	5.0
391.07996	12.6
395.07626	51.0
401.06641	1.9
405.09836	2.3
407.07562	26.2
408.08282	1.8
409.09088	2.9
417.09753	2.3
419.07635	25.7
420.08078	1.6
425.08752	21.3
431.07843	4.8
433.09259	3.7
437.08588	16.7
443.09946	11.0
445.08917	1.4
449.08441	2.6
451.10010	1.6
455.09735	19.6
461.08624	4.3
473.10794	32.9
479.09695	5.4
485.09244	2.3
491.10641	4.6
497.10785	16.9
503.11758	7.5
515.11865	10.1
521.10675	3.0
527.12012	10.6
533.13025	7.8
539.11981	13.5
545.12195	1.3
557.12952	30.2
575.13989	11.6
587.13953	18.7
588.12982	1.5
593.14862	4.5
599.13751	6.7
605.15070	19.3
617.14899	15.4
623.15656	1.8
635.16083	58.9
636.16248	2.9
653.16888	10.0
659.16284	8.5
677.16888	7.1
689.16895	13.0
701.17511	7.6
719.18054	13.3
737.19012	10.5
755.20447	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	772.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.5
55.05516	17.1
55.82447	1.5
56.05034	5.1
56.96571	5.7
57.03451	10.7
57.05820	2.0
58.02964	3.6
58.06604	100.0
61.02921	14.5
65.03952	1.8
67.05511	53.2
68.05035	5.1
69.03421	8.3
69.07076	18.1
69.87417	8.0
70.06598	44.1
71.04996	4.1
72.04523	70.3
73.02924	7.2
73.05314	2.7
74.06079	2.8
79.05496	39.9
80.06268	2.1
81.03428	7.6
81.07062	44.8
82.06596	6.5
83.04984	4.4
83.08655	8.0
84.04521	5.6
84.08145	19.5
85.02911	14.7
86.06072	99.1
87.04471	2.2
88.07653	2.8
91.03980	5.7
91.05499	22.8
93.07049	44.0
94.06570	5.3
95.04993	6.2
95.08617	31.4
96.08129	8.3
97.02909	12.0
97.06563	7.4
97.10172	3.2
98.06062	12.4
98.09696	11.6
98.21436	2.3
99.04513	2.3
102.05589	3.1
105.07022	16.4
107.04980	4.8
107.08598	18.9
108.08070	2.4
109.06518	2.7
109.09025	1.8
109.10171	21.8
110.06086	2.4
110.09676	3.9
111.04440	2.3
111.08075	3.8
111.11694	1.9
112.07634	2.2
114.05571	3.3
116.06290	1.6
116.07092	35.2
116.07841	2.9
117.07021	4.6
119.08573	13.2
121.10141	18.3
123.08112	3.9
123.11733	2.8
124.07658	2.8
124.11259	1.9
125.09652	3.9
126.12817	3.0
128.10762	6.6
128.14404	2.2
129.07056	2.1
131.08571	8.4
133.10165	7.4
135.11729	6.2
137.09625	2.3
138.12788	2.3
141.15140	3.6
142.12346	1.9
143.07135	1.6
143.08527	2.8
145.10155	6.4
147.08142	2.7
147.11758	4.2
149.09651	4.5
149.13365	1.9
150.12811	4.2
151.11232	2.0
152.14362	3.4
153.26624	1.7
156.13837	3.9
157.10278	1.9
159.11699	2.8
161.13293	2.8
163.11229	5.8
165.09172	2.1
165.12744	1.9
168.13861	14.1
178.12386	3.5
180.13872	4.4
186.14972	5.5
193.12309	4.8
196.13289	18.6
196.17050	3.2
197.14197	7.7
198.14919	54.3
211.13371	3.1
214.14487	2.8
216.16035	6.8
221.01344	3.0
222.15030	4.0
223.02852	2.1
224.16476	2.7
228.16037	2.1
229.14436	2.8
240.16046	7.0
242.17650	3.9
254.17505	3.9
258.17117	2.5
260.18613	3.1
267.16147	2.6
269.17618	3.4
270.16946	8.3
272.18576	13.1
283.15430	11.7
285.17014	3.9
288.18146	6.2
290.19498	10.6
291.19696	6.1
298.04965	2.1
301.03952	2.5
314.19693	4.2
325.04001	5.2
326.04630	3.2
327.05109	3.2
330.04144	1.7
332.20731	1.8
333.24307	3.1
335.25833	19.2
343.04962	6.4
344.05536	2.9
352.39795	1.8
361.06198	2.3
365.23404	2.8
382.88904	1.9
405.54126	2.0
409.02219	2.2
429.13962	3.7
430.14206	6.5
447.14929	18.9
448.15161	26.0
465.15869	23.6
466.16217	27.7
477.28787	6.9
484.17719	2.5
488.17172	3.4
489.17783	3.3
497.76962	2.1
520.40027	8.9
530.38696	3.6
531.39203	3.4
548.39398	31.0
549.40210	10.8
550.41034	13.1
557.34601	4.6
566.40540	50.4
574.41046	7.4
575.35504	9.0
592.41962	9.3
593.42804	2.0
610.43182	72.8
611.43964	4.9
682.44604	3.0
728.46118	15.4
772.48468	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	772.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46502	2.4
54.54138	2.0
55.01873	11.9
55.05271	3.3
55.05518	50.9
56.13151	2.4
57.03447	22.6
57.05814	3.7
58.06605	94.0
61.02931	15.9
65.03937	5.7
66.18945	2.6
67.05509	71.7
69.03434	18.1
69.07072	42.1
70.06594	31.5
71.04980	5.4
72.04522	57.4
73.02913	8.0
79.05501	69.4
81.02983	3.9
81.03430	48.4
81.07063	77.1
82.06593	4.1
83.05000	15.9
83.08629	35.3
84.04525	5.4
84.08164	13.6
85.02921	28.7
85.06538	5.0
86.06075	92.2
88.07629	2.7
91.03947	6.8
91.05486	62.2
93.07050	67.2
94.06585	4.4
95.04966	26.7
95.08607	46.2
96.08119	5.8
97.02905	19.0
97.06536	6.1
97.10201	14.6
98.06066	6.5
98.09698	6.4
99.08150	3.5
100.07603	3.2
105.07050	40.0
107.04969	16.5
107.08594	35.1
109.06524	7.1
109.10155	20.9
110.06060	2.6
110.09716	3.4
111.04433	2.8
111.08099	8.9
116.07097	24.0
117.06998	11.5
119.08610	36.6
121.06515	5.9
121.10158	29.2
123.08096	8.7
123.11688	4.3
125.09685	12.3
127.03905	4.3
128.10703	4.7
129.07002	10.5
131.08601	20.2
133.06544	3.5
133.10152	19.1
135.08054	7.2
135.11678	13.2
137.09637	4.9
141.15155	2.5
143.08624	3.1
145.10133	16.2
145.56862	2.1
147.08060	9.3
147.11685	14.0
149.09631	7.9
149.13297	5.5
150.12747	4.5
151.11211	3.3
151.98529	2.8
156.13916	3.5
157.10120	11.9
159.11697	5.6
161.09599	3.1
163.11214	8.6
165.09200	2.5
165.12791	3.8
168.13905	13.1
171.11623	2.8
173.13144	3.0
175.11223	10.9
177.12799	3.6
178.12271	6.0
189.11250	4.6
193.12292	37.6
196.13371	14.7
197.14137	7.0
198.14906	32.9
209.11815	3.5
211.13309	63.7
211.15266	4.0
216.16029	3.1
223.13272	20.3
224.16446	2.9
227.12810	9.8
240.16119	4.1
249.14880	3.1
258.89908	2.4
260.18616	6.5
267.15973	30.0
269.17581	5.1
270.17065	7.6
272.18542	7.4
273.18506	14.3
275.20123	7.7
283.15372	16.7
285.17023	45.6
288.18097	10.0
289.18625	2.9
290.19705	9.8
291.19559	100.0
292.20001	3.9
294.38998	2.4
332.20782	3.2
335.25809	26.7
349.23697	4.7
365.23294	42.6
377.55988	2.5
463.27020	7.5
477.28650	17.8
520.39862	5.6
530.38141	7.3
532.40070	3.1
548.39575	26.6
549.40033	8.9
550.40826	9.1
557.34698	39.4
566.40491	38.5
574.40662	7.5
575.35773	66.9
576.35559	3.8
592.41998	9.3
610.43140	48.4
682.44739	4.5
728.46014	13.7
754.46423	3.2
772.48492	53.7
777.99341	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	772.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	8.1
55.05516	25.1
57.03446	17.3
57.07078	3.4
59.04995	1.9
61.02927	5.3
65.03923	5.1
67.05512	78.6
67.05879	4.0
69.03426	4.3
69.07075	19.9
71.01367	3.3
71.04987	5.8
77.03950	1.8
79.05499	69.5
80.05791	1.9
81.03429	30.8
81.07066	72.6
83.01349	3.5
83.04999	15.7
83.08628	13.0
85.02914	11.4
85.06552	4.1
86.09679	2.3
91.05489	39.6
91.92601	2.0
93.06480	3.7
93.07053	67.6
95.04984	14.8
95.08615	53.7
97.02916	11.9
97.06545	13.8
97.10178	5.0
99.04470	3.1
103.05501	2.1
105.07046	22.5
107.04965	18.7
107.08610	33.9
109.06538	11.3
109.10167	24.2
111.04452	25.5
111.08073	4.7
113.06031	1.8
117.07026	16.8
119.08604	22.8
121.06540	10.8
121.10159	36.1
123.08084	8.4
123.11713	5.0
125.05989	6.5
125.09608	3.7
129.07001	7.4
131.08597	18.7
133.10150	14.5
135.08069	4.9
135.11703	25.0
137.09572	4.0
143.08580	3.9
145.10130	27.6
147.08043	5.4
147.11699	6.3
149.09612	4.2
149.13266	3.0
153.12766	11.2
155.08534	2.7
157.10115	2.5
159.11703	6.0
161.13261	5.2
163.11200	34.8
163.14784	4.0
165.09174	1.9
171.11627	4.1
173.09637	8.0
173.13182	3.4
175.14894	2.5
181.12216	4.6
184.07376	5.6
187.14893	3.4
189.11143	2.1
191.10695	9.3
197.13257	2.1
205.12050	1.7
209.11667	11.9
223.13254	19.0
227.12732	11.0
229.16389	2.4
241.14336	29.0
243.21097	3.8
259.20712	2.7
261.22119	12.3
265.14255	9.2
267.15976	2.5
283.15436	16.0
299.23831	3.9
315.18051	44.4
317.24658	2.2
335.25815	100.0
336.26172	4.9
415.19943	1.8
435.81577	2.0
451.31763	3.9
469.32800	2.2
525.35693	6.5
543.36865	69.7
544.36914	3.2
545.38086	3.1
563.11487	1.9
575.39453	88.7
576.39990	3.5
610.45123	6.0
740.62018	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	772.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	10.1
55.05263	2.4
55.05515	33.1
56.05043	2.3
57.03441	15.6
58.06601	22.0
59.05003	1.6
61.02920	6.3
65.03933	3.3
67.05509	77.6
69.03429	12.3
69.07072	28.6
69.50347	10.8
70.06598	8.1
71.04993	9.4
72.04521	14.2
73.02930	2.2
79.05496	59.5
80.05855	1.6
81.03423	56.4
81.07059	80.3
82.06627	2.1
83.04980	18.8
83.08624	25.0
84.04496	1.8
84.08147	5.1
85.02907	19.7
85.06560	7.0
86.06065	18.8
91.03944	4.1
91.05484	88.0
93.07047	59.2
95.04970	32.8
95.08607	34.9
97.02911	10.8
97.06547	10.1
97.10185	10.1
98.06072	3.5
98.09701	1.9
102.05524	2.3
105.07040	58.5
107.04963	15.9
107.08598	40.4
109.06532	10.7
109.10159	47.2
111.04443	5.3
111.08077	11.4
113.06038	4.3
115.05488	3.0
116.06301	2.0
116.07098	5.9
117.07005	12.8
119.04964	2.0
119.08583	33.5
121.06494	7.8
121.10154	17.0
123.08082	6.7
123.11726	8.5
125.09637	7.2
127.03904	2.2
128.06256	3.5
129.07011	15.8
131.08574	24.6
133.06535	8.1
133.10146	59.4
135.08089	10.2
135.11713	7.2
135.36133	1.8
137.09604	6.5
141.07071	1.6
142.07805	2.1
143.08572	6.4
145.06479	2.8
145.10126	12.1
147.08054	6.0
147.11699	17.8
149.09628	13.5
149.13382	1.9
151.11179	21.6
155.08627	1.8
157.10155	14.4
158.05836	1.7
159.11758	4.4
161.09666	8.2
161.13326	2.2
163.11186	7.6
165.12640	2.0
169.12270	4.2
171.11655	4.9
173.09656	2.1
175.11192	12.0
177.12692	2.0
179.10635	3.0
181.12251	2.0
181.37798	1.6
185.13281	2.9
189.11243	3.0
193.12257	31.4
196.13391	3.3
196.16951	3.1
197.21829	2.1
198.14908	17.5
211.13293	46.7
215.12764	2.5
223.13298	6.2
227.12776	4.5
240.16054	2.4
245.18996	3.9
251.12634	1.9
251.51096	1.7
253.14371	100.0
263.20120	2.3
267.15906	21.1
270.17010	2.7
271.15225	2.5
272.18515	2.6
273.18515	27.1
275.20071	3.8
283.15326	4.5
285.14023	3.5
285.16986	42.9
288.18198	2.2
290.19461	2.9
291.19562	56.4
292.19916	4.1
301.16370	2.1
335.25827	7.2
347.22269	10.8
365.23227	44.6
445.25668	2.0
453.35095	2.0
463.26981	15.9
465.29791	1.6
481.27921	6.3
525.35474	2.5
539.33209	4.0
543.36877	5.0
548.39618	9.0
549.39758	2.6
550.41376	2.9
557.34698	27.9
566.40771	8.1
575.35767	67.2
576.35840	4.8
592.42010	4.8
593.37311	2.5
610.43274	20.9
728.45355	5.4
772.49506	13.6
773.40717	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	772.448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	10.9
55.05514	21.5
57.03446	9.4
65.03943	1.5
67.05511	44.4
67.21766	1.3
69.03425	3.4
69.07070	21.1
71.04994	4.5
71.55402	2.2
73.02893	3.1
77.03886	1.6
79.05498	54.2
81.03434	8.2
81.06582	2.9
81.07063	47.7
83.04988	8.0
83.08623	13.7
85.02921	2.5
85.06554	1.9
90.32987	1.3
91.03979	1.3
91.05486	31.1
93.07049	60.8
95.04985	12.1
95.08612	51.6
95.09103	1.3
97.02895	5.4
97.06541	13.5
97.10165	6.3
99.04460	5.1
103.05511	1.6
105.07038	27.2
107.04974	12.6
107.08605	48.6
109.02936	1.8
109.06510	4.2
109.10179	8.4
111.04451	1.8
111.08092	3.3
113.06039	2.0
117.07036	21.7
119.08585	25.0
121.06514	10.0
121.10148	17.6
123.08038	1.9
123.11689	1.6
125.06001	2.4
125.09632	6.8
127.03879	1.6
129.07033	4.6
131.08600	10.5
133.10139	16.2
135.08087	5.9
135.11703	59.9
137.09573	1.6
139.07532	2.9
143.08522	3.6
145.10135	37.4
147.08070	2.5
147.11693	6.5
149.09645	8.8
149.13260	4.6
151.11224	1.8
155.08507	1.7
157.10089	2.7
159.11653	7.4
161.09724	2.0
161.13257	3.4
163.11183	66.1
169.10149	1.8
173.13249	2.5
175.11208	1.9
177.12755	1.7
179.14357	2.4
181.12231	10.5
189.11241	3.2
193.12257	2.4
194.65475	1.4
197.13312	1.6
209.11641	3.2
227.12791	100.0
235.96948	1.4
237.12990	1.7
238.78186	1.7
239.17860	2.3
254.99084	1.6
255.15927	4.5
255.32925	1.4
257.18967	9.1
267.15747	1.9
269.17429	10.8
275.20105	21.8
283.15405	61.1
283.18561	3.0
285.16824	2.3
291.19574	3.8
293.21109	2.0
330.47610	1.5
331.22681	3.5
342.69232	1.4
349.23746	30.6
379.21368	2.2
437.24789	1.9
453.24927	3.4
463.26859	12.8
477.28491	51.1
478.28235	2.3
557.34766	41.4
558.34943	2.8
575.35901	6.9
597.28558	1.9
771.82587	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	8.7
55.05512	32.9
57.03435	19.3
57.07069	2.8
58.06605	42.9
60.04517	4.0
61.02918	7.9
65.03940	5.9
67.05509	78.1
69.03416	9.9
69.07069	31.9
69.89202	12.2
70.06593	24.2
71.04987	7.1
72.04522	24.9
73.02917	4.4
77.03909	2.5
77.41349	2.1
79.05499	70.2
81.03422	38.7
81.06590	4.1
81.07063	82.0
82.06580	5.3
83.04973	18.3
83.08621	23.4
84.04498	9.9
84.08133	12.8
85.02915	17.2
85.06535	3.4
86.06074	41.9
91.03925	4.4
91.05489	63.6
93.06477	4.0
93.07049	66.1
94.06586	2.6
95.04976	23.5
95.08611	45.7
96.08134	3.1
97.02889	12.9
97.06543	8.4
97.10161	6.6
98.06049	3.6
98.09711	4.5
98.21474	5.1
99.04456	3.6
99.08153	2.5
102.05530	10.3
105.07033	45.4
105.51155	2.2
107.04277	3.0
107.04948	13.7
107.08598	37.1
109.06500	9.6
109.10162	33.8
111.08077	8.7
115.74129	2.5
116.07124	11.9
117.07011	14.5
119.08588	30.9
121.06499	9.2
121.10151	26.8
123.08069	9.6
123.11711	5.9
125.09610	5.7
129.06987	11.9
129.07840	2.5
131.08542	19.0
133.06496	4.2
133.10126	35.7
135.08040	7.6
135.11679	19.2
139.11208	3.0
142.07877	2.7
143.08562	4.8
145.04930	3.4
145.06413	3.4
145.10124	14.8
147.08040	4.5
147.11699	14.0
149.09599	11.0
149.13231	3.0
151.11206	12.4
152.14314	3.6
157.10152	11.6
159.11728	6.7
161.09576	5.9
163.11169	13.5
165.12828	4.8
168.13837	4.3
171.11659	4.0
173.09636	4.0
173.13281	2.9
175.11171	9.6
177.12704	2.9
180.13821	3.9
185.13313	2.4
189.34904	2.8
193.12254	21.1
196.13324	9.0
196.16904	11.3
198.13130	5.0
198.14894	70.6
209.11723	2.4
211.13319	29.2
214.17972	5.8
215.12804	2.8
216.15952	3.9
222.14899	4.5
227.12802	8.6
240.16016	3.6
253.14346	24.4
267.15930	20.2
269.17484	8.6
270.17059	4.5
272.18585	7.4
273.18497	21.1
275.20047	10.4
283.15387	27.3
285.16992	27.1
288.18207	3.2
290.19672	8.4
291.19534	27.0
329.20865	3.0
335.25757	19.6
347.22137	4.1
349.23602	6.8
350.21594	4.4
365.23291	25.0
367.24554	4.3
463.27197	12.1
477.28757	22.0
481.28137	5.3
481.79037	2.7
520.39777	5.8
539.33588	5.2
548.39502	11.6
550.41296	12.5
557.34790	32.4
566.40637	12.5
574.40186	4.6
575.35742	47.5
576.35883	3.5
592.42169	11.9
610.43182	100.0
728.45245	8.4
772.48517	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	772.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	10.3
55.05512	39.8
57.03441	19.6
58.02935	2.3
58.06602	64.2
59.04992	3.6
61.02929	10.5
65.03944	3.2
67.05505	68.2
69.03427	16.4
69.06725	2.9
69.07072	39.7
69.77802	4.0
69.78211	9.3
70.06588	21.6
71.04992	5.5
72.04517	38.5
73.02914	3.0
74.98483	2.2
77.03940	2.6
79.05498	68.5
81.02929	2.3
81.03419	57.8
81.07059	72.8
82.06603	3.4
83.04984	18.7
83.08611	28.1
83.09058	2.9
84.08140	6.2
85.02911	28.4
85.06544	2.5
86.05576	4.3
86.06071	57.1
91.03948	4.1
91.05489	53.4
93.07046	51.1
95.04973	30.3
95.08609	43.4
96.08148	3.5
97.02898	20.6
97.06535	13.0
97.10175	16.9
97.69237	2.2
98.06065	3.4
98.09723	6.3
98.21484	4.0
103.05490	3.8
105.07032	39.3
105.51269	2.2
107.04956	15.4
107.08604	27.1
109.06508	7.7
109.10164	15.7
111.04429	3.6
111.08100	7.9
116.06381	2.8
116.07120	17.2
117.07013	15.1
119.08586	33.8
121.06528	9.1
121.10153	20.6
123.08069	8.1
125.09636	9.2
127.03966	2.6
128.14349	2.3
129.07004	9.5
131.08563	22.0
133.06473	4.9
133.10146	16.3
134.56139	2.4
135.08025	4.3
135.11674	10.0
137.09662	6.7
141.15132	3.1
143.08563	6.2
145.10149	12.4
147.08055	9.7
147.11679	18.2
149.09625	9.5
149.13309	4.0
150.12773	2.7
157.10123	10.6
159.11697	6.8
161.09628	2.2
163.11220	10.5
165.12825	3.7
168.13847	9.6
171.10085	2.4
173.13300	2.4
175.11212	8.2
178.12250	2.9
189.11172	5.0
193.12282	31.7
196.13347	12.7
196.16972	2.3
197.14088	3.0
198.14877	22.2
209.11790	3.1
211.13301	51.1
212.16350	3.4
216.16032	2.9
223.13297	21.2
227.12791	9.3
229.14543	2.7
260.18658	2.7
262.47470	2.3
267.15909	33.3
269.17319	5.1
270.16925	5.2
272.18607	5.0
273.18573	12.7
275.19995	7.4
283.15469	17.7
285.17007	41.3
288.18088	5.9
290.19516	4.8
291.19547	100.0
326.08835	2.4
335.25882	14.0
339.74097	2.1
349.23560	5.6
365.23199	34.5
463.26929	7.7
477.28473	13.8
495.29877	3.1
520.40100	4.4
548.39386	15.7
549.40143	7.7
550.40601	6.2
557.27100	3.4
557.34784	38.3
566.40430	23.1
568.36584	3.0
574.41211	3.7
575.35760	61.5
592.41968	7.2
610.43146	28.1
728.45361	9.6
772.48279	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	772.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	10.1
55.05264	2.8
55.05513	37.4
57.03439	18.6
57.07075	1.9
59.05008	25.2
65.03932	5.4
66.35210	2.0
67.05510	88.9
69.03436	9.5
69.07071	14.4
70.98897	3.8
71.04997	19.7
73.02920	2.4
78.60859	1.7
79.05070	3.5
79.05499	56.9
81.03421	100.0
81.07062	52.2
83.04984	15.3
83.08625	35.0
85.02907	9.3
85.06532	6.5
87.04470	27.3
91.05484	50.5
93.07047	40.3
93.07624	2.7
95.04974	40.5
95.08619	24.7
97.02898	10.3
97.06541	12.1
97.10173	19.5
99.04472	10.5
99.08102	2.2
103.05468	1.8
105.07038	35.7
107.04955	22.3
107.08598	28.0
109.02850	3.8
109.06558	10.0
109.10165	56.0
109.10922	2.9
111.04436	12.7
111.08072	13.8
115.05466	2.6
117.07033	8.8
119.04921	2.5
119.08592	28.3
121.02839	2.7
121.06509	9.3
121.10155	25.3
123.04416	6.2
123.08076	8.7
125.06100	1.8
125.09631	18.8
128.06229	2.6
129.07039	16.8
130.27689	2.1
131.04921	2.1
131.08583	24.1
133.06491	7.2
133.10164	15.3
135.04385	6.1
135.08041	7.7
135.11682	8.4
137.05939	3.3
137.09627	6.0
141.06995	2.2
142.07776	3.7
143.08580	4.1
145.06519	4.0
145.10136	12.7
147.04349	3.0
147.08095	11.3
147.11710	18.2
149.06001	3.4
149.09628	23.1
153.09119	6.9
153.12740	14.6
155.08527	2.4
155.10657	5.2
155.12047	1.8
157.06497	2.4
157.10120	17.7
159.08092	2.0
159.11684	3.0
161.05984	4.0
161.09654	4.4
163.11180	16.3
165.12706	3.9
167.10710	2.3
171.08017	2.7
173.09641	4.6
173.11752	11.0
175.11194	20.4
181.12221	10.6
185.13197	3.2
187.07565	2.2
187.11232	4.4
189.11197	11.1
191.10672	6.7
193.12251	56.4
197.09544	2.3
197.15416	4.8
199.13277	8.1
201.12756	2.6
203.14265	4.1
205.12271	2.6
207.13731	3.9
209.11711	16.8
211.13295	46.1
217.14368	2.6
219.13774	4.5
221.15355	2.5
223.13188	2.2
225.14857	12.2
227.12833	19.8
229.14346	37.6
231.13841	5.3
235.13237	3.4
243.49306	2.0
247.13312	10.4
249.14870	17.6
251.12849	2.1
259.13211	3.6
263.16449	2.4
267.15927	65.9
273.14743	2.6
283.15430	13.2
287.97668	2.2
291.16046	3.4
301.14240	2.7
315.17911	5.7
337.21628	4.9
347.19940	2.5
355.22800	11.3
365.21259	10.9
373.23718	5.9
383.22168	31.4
397.23483	3.6
401.23181	20.1
415.24850	4.0
419.24609	2.5
421.25851	30.5
433.25803	6.7
447.27118	2.8
457.25699	4.6
463.26511	2.0
475.26901	22.2
489.28320	3.1
493.27692	7.2
502.14960	2.0
507.29562	19.6
525.30402	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	772.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.9
55.05512	42.0
57.03440	22.5
59.05003	25.2
61.02911	3.1
62.56791	2.1
65.03933	6.1
67.05506	98.9
69.03428	7.4
69.07072	16.1
69.30622	3.3
69.31026	14.7
71.01355	2.4
71.04993	16.5
79.05498	56.1
80.32050	1.7
81.03421	100.0
81.07060	52.6
83.04987	16.7
83.08625	31.9
85.02914	9.5
85.06545	4.8
87.04477	35.9
91.05486	52.2
93.07041	41.1
94.04214	2.2
94.85823	2.3
95.04969	38.7
95.08619	21.6
97.02892	8.7
97.06530	10.3
97.10171	23.5
98.03350	2.0
98.21544	4.2
99.04432	11.8
105.07030	28.0
107.04956	20.5
107.08589	20.8
109.02998	2.0
109.06518	10.5
109.10164	63.2
111.04459	13.8
111.08086	12.6
115.05447	3.0
117.06998	13.4
119.08580	29.9
121.02884	4.3
121.06498	11.4
121.10143	26.4
123.04436	6.7
123.08086	3.7
125.05980	4.4
125.09640	15.7
127.03847	2.3
129.07022	22.7
131.04918	2.7
131.08580	25.9
133.06499	6.0
133.10127	16.6
135.04408	5.6
135.08076	6.6
135.11696	11.5
137.05998	4.0
137.09641	6.2
139.07559	1.8
142.07779	3.3
143.08543	3.4
145.06439	4.8
145.10129	16.4
147.04448	3.8
147.08049	8.4
147.11719	14.8
149.06020	4.2
149.09627	25.1
153.09142	7.7
153.12753	9.8
155.10593	3.8
157.10126	19.2
159.11659	2.7
161.06047	2.4
161.09575	3.5
163.11211	15.8
165.12759	3.4
167.10699	4.8
169.10147	3.2
171.10204	2.2
173.09576	4.6
173.11787	11.8
175.07619	2.4
175.11183	21.0
181.12218	10.7
183.11690	3.1
185.13310	4.0
187.11203	4.0
189.11214	12.6
189.12700	3.4
191.10672	9.6
193.12245	69.2
197.15424	3.2
199.13341	10.3
201.12741	4.2
203.14333	4.7
207.13820	3.7
209.11673	15.3
209.13467	2.5
211.13286	51.0
213.12790	2.6
219.13820	3.3
221.15453	3.0
223.13318	4.5
225.12863	3.2
225.14879	13.1
227.12750	21.2
229.12154	3.1
229.14374	53.2
231.13741	6.8
235.13303	6.1
241.14331	3.4
243.13795	2.4
247.13358	10.8
249.14912	18.6
259.13235	3.3
261.14914	2.1
265.14374	2.6
267.15936	74.2
273.14874	4.9
283.15375	18.3
291.16034	2.3
293.13986	2.1
301.14545	3.4
303.15994	2.3
315.18109	6.4
319.20428	2.8
337.21661	5.1
347.20074	2.8
355.22574	10.3
365.21072	14.2
373.23868	7.2
383.22180	27.6
401.23239	20.3
403.24896	4.0
409.25903	2.7
415.24792	2.5
421.25873	33.8
433.25723	6.6
445.25958	2.7
447.27243	3.5
457.25787	7.0
459.27307	2.7
463.26956	4.0
475.26981	22.5
493.27994	4.6
507.29593	17.4
517.28027	2.3
525.30292	7.7
529.27582	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	772.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.7
55.05512	22.8
56.96539	2.2
57.03442	13.7
57.07078	3.4
61.02925	4.5
65.03937	4.1
67.05502	51.8
69.03426	14.5
69.07078	14.1
69.33848	18.2
71.01365	2.6
71.05000	12.3
72.15839	2.2
79.05064	3.1
79.05495	40.2
80.05032	2.5
81.03418	75.0
81.07059	50.1
83.04977	14.1
83.08616	24.8
84.76090	2.0
85.02911	15.4
85.06547	4.8
87.00813	3.0
91.05487	29.7
93.06475	3.6
93.07049	44.1
95.04970	44.0
95.08605	35.7
97.02889	13.1
97.06514	9.8
97.10172	15.1
99.04437	5.3
99.08091	3.2
103.03928	2.3
105.01853	3.9
105.07037	26.9
107.04949	16.1
107.08595	32.5
109.02892	5.7
109.06522	9.0
109.10157	24.9
111.04451	7.4
111.08065	7.8
115.79222	1.9
117.07063	10.6
117.07779	1.8
119.04970	3.0
119.08596	21.5
121.02933	2.8
121.06489	9.7
121.10148	30.3
123.04491	14.5
123.08072	9.3
123.11713	4.4
125.05925	2.7
125.09617	9.8
127.03921	7.6
128.06175	2.4
129.07024	11.2
131.04887	2.6
131.08565	14.8
133.06483	6.1
133.10130	10.6
135.08051	5.9
135.11688	14.2
137.06001	6.3
137.09650	5.9
137.13234	2.5
139.11195	9.2
142.06746	2.0
142.07806	2.8
143.08592	3.9
145.06500	5.6
145.10118	15.3
147.04411	6.1
147.08046	7.0
147.11688	9.5
149.09613	15.7
149.13237	5.0
153.09091	4.2
153.12732	2.7
155.08514	3.8
157.10155	7.9
159.08160	2.2
159.11678	5.7
161.06035	5.2
161.09601	4.1
161.13318	3.1
163.11177	19.2
165.12769	3.6
167.06982	2.8
167.10664	2.8
171.11620	3.4
173.04515	5.0
173.05923	3.1
173.09671	6.6
173.11687	3.4
175.11198	8.4
177.12820	3.1
178.08646	3.8
181.12222	3.6
185.11758	4.1
185.13290	2.1
189.09305	2.7
189.11203	5.4
189.12740	4.1
191.10654	8.1
193.12256	14.6
195.06461	2.1
199.11263	3.3
205.12285	3.6
207.13832	3.3
209.11748	15.4
211.13400	3.6
217.12206	4.8
223.13263	4.2
227.12793	6.8
229.12267	4.4
229.14371	10.2
231.13791	5.3
235.13197	18.0
241.14328	10.8
247.13312	3.9
249.14757	4.0
255.50693	2.5
259.15439	17.9
265.14334	3.2
267.09082	5.1
267.15881	40.3
273.17108	2.7
273.25867	6.0
283.15436	8.2
285.09998	2.6
289.14468	2.1
291.26825	9.3
295.23520	2.6
301.16525	13.8
309.16986	17.7
309.27884	5.7
321.17007	4.1
337.21713	2.5
355.22528	3.3
365.20947	3.0
373.24100	2.3
383.22308	18.8
401.23248	10.5
419.24374	3.0
421.25549	3.4
422.26315	2.5
433.25662	9.7
447.27267	4.8
451.26965	2.7
457.26025	17.6
465.28101	3.5
475.26947	100.0
476.27344	4.4
489.28006	2.9
493.27969	67.3
507.29327	11.8
511.28577	7.5
517.27759	3.3
525.30737	5.3
601.30005	4.1
602.82129	2.5
610.32721	2.8
619.30634	5.5
637.32507	2.4
772.37030	4.9
791.40009	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	771.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
55.05515	12.5
57.03440	4.7
57.07080	2.1
61.02931	13.7
65.03935	1.8
67.05510	24.8
69.03423	8.1
69.07079	8.9
71.01378	1.4
71.05000	2.3
71.06052	2.0
73.02927	7.8
79.05500	17.7
81.03415	5.3
81.07065	25.5
83.04989	2.5
83.08628	7.1
85.02905	12.2
85.06577	1.0
90.68471	0.9
91.03942	5.5
91.05492	16.3
91.98443	0.8
93.07056	16.4
94.07365	1.2
95.04971	4.0
95.08620	20.5
97.02905	11.6
97.06547	2.7
97.10168	4.6
99.04427	1.5
101.02377	1.8
103.05540	1.1
105.06396	1.1
105.07047	14.2
106.07296	0.9
107.04970	3.3
107.08595	12.5
107.74459	0.9
109.02835	1.0
109.06535	3.0
109.10178	8.5
115.05474	2.0
117.07024	9.1
119.08593	15.3
121.06539	1.2
121.10145	7.8
123.08105	1.9
123.11707	1.6
125.09682	1.2
127.03926	3.5
128.06186	2.2
129.07016	8.8
131.08571	12.6
133.10139	8.8
135.08083	2.1
135.11714	3.7
141.06987	4.6
142.07765	1.4
143.08583	11.8
145.10136	11.9
147.11685	5.7
149.13266	1.9
153.06934	1.3
154.07738	1.6
155.08556	8.8
156.09370	1.7
157.10147	12.0
159.11690	8.1
161.13286	2.8
163.14919	0.9
165.07051	1.0
166.07852	1.2
167.08571	4.4
168.09340	1.8
169.10136	11.6
171.11697	10.1
172.12547	0.9
173.09630	1.1
173.13316	4.5
175.11249	1.2
175.14824	2.1
179.08614	1.3
181.10121	7.3
182.10999	1.5
183.11702	13.1
185.13293	7.6
187.14882	2.3
193.10181	2.0
195.11674	6.5
196.12448	1.1
197.13287	9.5
199.14824	4.8
201.16304	1.4
207.11769	2.6
209.13264	6.1
211.14857	5.9
213.16380	4.1
219.11626	1.5
221.13249	3.0
223.14839	5.0
225.16379	4.3
227.18091	1.6
233.13316	1.7
235.14854	2.0
237.16382	2.3
239.18089	2.1
241.19644	1.2
249.16492	1.6
251.17981	2.1
253.19463	1.7
257.19089	1.1
263.17880	1.1
265.19492	1.6
279.20831	1.6
305.18768	1.1
325.25165	1.1
335.25879	1.7
337.25543	1.5
351.26877	1.4
353.24454	1.3
393.31073	1.0
409.30347	0.9
447.32526	1.2
450.72842	0.9
475.34818	1.0
501.36060	1.0
517.40277	7.4
535.41522	2.1
539.37457	2.4
540.38153	1.0
541.38922	1.6
553.41052	0.9
567.39703	1.1
573.42023	1.3
591.44153	7.5
607.43121	1.8
609.45178	100.0
610.45294	6.0
621.44922	2.8
651.45685	1.4
717.46301	1.6
735.47723	2.5
753.48737	2.6
771.50452	20.7
772.49951	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.2
56.96568	7.8
57.96663	5.2
65.03937	7.0
67.05507	13.4
69.07065	7.7
71.54959	7.6
79.05491	13.0
81.03425	13.7
81.07039	23.3
83.08616	7.5
85.02920	10.0
91.05495	10.6
91.81163	5.4
93.07041	16.3
95.08614	13.1
105.07030	11.7
107.08600	8.4
109.10182	8.0
114.14143	5.2
117.07066	6.8
119.08619	9.0
121.10114	6.6
131.08551	5.2
133.10150	5.8
137.02357	6.2
147.04337	7.1
149.02338	64.4
167.03426	100.0
193.12283	13.4
195.17818	5.5
211.13284	26.7
257.08249	5.6
267.15927	12.4
269.08066	50.8
270.08386	8.9
285.17038	26.4
325.14441	7.0
331.05011	7.8
335.25851	45.4
343.04987	9.0
381.09589	5.6
391.29959	5.8
393.20822	12.3
431.15469	13.4
449.16434	21.6
545.38483	34.5
570.26654	6.2
631.16803	9.3
770.42188	5.6
771.43201	10.7
778.53986	6.4
794.72461	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	771.505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.4
55.05266	0.7
55.05517	12.1
57.03444	4.9
57.07072	1.4
61.02933	15.5
65.03948	1.2
67.05510	22.4
69.03432	8.0
69.06717	0.9
69.07073	9.9
69.18771	2.8
69.19202	2.4
71.01345	0.8
71.04989	1.6
71.08659	0.6
73.02925	7.2
74.88175	0.5
75.96337	0.5
77.47338	0.5
79.05499	15.5
80.03875	0.4
81.03426	3.8
81.07064	21.6
83.01367	0.6
83.04979	1.6
83.08630	5.0
85.02912	13.8
85.06547	1.4
85.10210	0.5
91.03963	7.8
91.04907	0.6
91.05487	16.1
93.07052	16.4
95.04966	2.4
95.08614	18.7
97.02901	12.8
97.06545	1.8
97.10174	3.7
99.04440	1.4
101.02383	1.6
105.04505	0.8
105.07039	13.2
107.04962	0.8
107.08606	10.0
109.02882	1.5
109.06564	0.8
109.10172	7.6
111.04430	0.5
111.08094	1.7
115.03922	1.0
115.05428	1.0
117.07030	7.1
119.08589	12.6
121.10149	7.4
123.08078	1.3
123.11729	2.0
125.09646	1.5
127.03925	2.0
128.06212	2.9
129.07027	8.6
130.07803	0.6
131.08578	12.1
133.10147	8.7
135.08058	0.7
135.11719	4.4
137.09644	0.8
137.13242	0.6
141.07021	3.7
142.07771	2.4
143.08568	12.7
144.09340	0.6
145.05029	0.7
145.10143	11.9
146.10768	0.5
147.11702	5.2
149.09628	0.6
149.13292	2.3
153.07045	1.3
154.07785	1.4
155.08566	10.2
156.09303	1.5
157.10139	13.2
159.11722	8.0
161.09679	0.8
161.13220	2.8
163.11194	1.2
165.06989	1.5
167.08615	5.1
168.09286	1.6
169.10139	12.7
170.10927	0.9
171.11702	11.3
173.13304	5.5
175.14804	1.0
179.08571	1.8
180.09375	1.2
181.10130	6.8
182.10902	1.0
183.11714	12.1
184.12335	0.6
185.13272	6.5
187.14825	3.7
189.16325	0.8
191.08646	0.6
193.10194	2.6
195.11728	7.8
195.13480	0.8
196.12372	1.2
197.13275	8.5
198.13919	0.6
199.14871	4.2
201.16460	1.4
203.18021	0.7
205.10178	0.6
205.15898	0.5
206.10860	0.7
207.11758	2.6
208.12376	0.8
209.13266	6.7
211.14853	5.0
212.15445	0.6
213.14616	0.7
213.16365	3.0
215.18040	0.8
219.11705	1.4
221.13318	3.4
223.14841	5.1
225.16393	4.5
226.17003	0.6
227.17967	1.6
229.19557	0.7
233.13264	1.3
235.14842	2.3
237.16432	3.5
239.18066	2.5
241.19514	0.8
247.14835	1.2
249.16379	1.8
251.17992	2.2
253.19553	1.5
257.19003	0.6
261.16299	0.8
261.22110	0.5
263.18027	0.7
265.19434	1.4
267.21280	0.7
279.21017	0.8
283.20673	0.8
291.17572	0.6
295.20187	0.6
295.23969	0.5
297.22409	1.2
307.20508	0.9
309.22302	0.7
311.23538	0.7
321.21918	0.7
323.23703	1.4
325.21838	0.6
325.25372	0.6
327.23041	0.6
335.25824	0.9
337.25436	1.1
339.26910	0.9
349.25204	0.7
351.26785	1.8
353.24783	1.0
365.28516	1.0
379.26251	0.8
391.29953	0.6
393.31693	0.7
407.29135	0.6
423.32782	0.9
433.31232	0.7
435.31885	0.6
447.32443	1.6
449.33844	0.9
451.31433	0.6
473.33047	0.6
483.24823	0.6
487.33908	0.8
499.39355	1.1
501.35736	1.2
515.37793	1.2
517.40472	5.5
518.40582	0.8
521.36151	1.1
523.37671	0.7
525.35522	0.6
527.37372	0.7
529.39404	0.6
535.41516	2.6
539.37152	1.7
540.38037	0.8
541.38940	1.8
553.38898	0.6
567.41003	0.6
573.43042	0.6
575.39270	0.9
581.41437	0.7
591.44281	6.2
607.44019	2.6
609.45184	100.0
610.45447	6.2
611.46564	0.9
621.45105	1.1
651.45795	1.0
717.47180	0.7
735.47839	1.5
753.48462	1.6
771.51001	16.4
772.50952	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	14.7
55.05520	29.8
57.03442	14.6
61.02913	3.1
65.03939	5.0
67.05511	85.1
69.03426	6.6
69.07069	31.3
71.04985	8.4
77.03910	2.5
79.05497	97.3
81.03429	18.8
81.07060	93.6
83.04987	21.0
83.08631	15.3
85.02913	5.0
85.06553	4.8
91.05489	84.4
93.07051	94.8
95.04977	23.6
95.08612	43.3
97.02892	3.6
97.06540	16.5
97.10172	7.1
98.21511	5.1
99.08089	3.7
103.05498	3.2
105.07038	62.8
107.04966	16.6
107.08602	46.9
109.06514	12.8
109.10162	21.5
111.08076	5.1
117.07027	24.0
119.08596	37.1
121.06532	7.6
121.10136	16.2
123.08083	8.7
123.11710	4.3
125.09647	3.5
127.03911	3.4
128.06227	3.2
129.07030	18.8
131.08569	16.5
133.10150	29.3
135.08081	7.4
135.11687	18.7
137.09647	3.5
143.08571	10.5
145.10130	27.6
147.08066	3.5
147.11684	35.3
149.09659	13.6
149.13242	6.9
151.11189	5.3
157.10109	5.1
159.11688	12.1
161.09607	7.1
161.13286	12.5
163.11214	18.0
164.77850	2.1
169.10155	3.4
171.11688	30.7
173.13307	3.3
175.11209	2.3
177.12778	5.9
179.14354	2.4
181.12334	2.9
187.11279	4.0
189.11263	2.7
189.12741	10.6
195.11804	2.5
195.13716	2.0
199.14853	2.5
206.70918	2.5
207.13785	27.9
227.12802	18.0
239.17972	3.6
253.14386	12.6
255.15927	6.4
257.19070	10.7
269.17432	14.9
273.18573	5.7
275.20108	26.1
279.15897	3.3
281.17480	75.4
283.15347	7.2
291.19592	4.8
293.21240	3.0
331.22534	3.3
349.23691	16.5
365.23132	4.6
457.29877	2.9
461.29050	27.8
475.30594	100.0
476.31055	3.6
479.26175	4.1
515.33942	2.9
537.36212	2.2
555.36957	36.7
573.34570	9.2
619.35052	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	770.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.2
56.96568	7.8
57.96663	5.2
65.03937	7.0
67.05507	13.4
69.07065	7.7
71.54959	7.6
79.05491	13.0
81.03425	13.7
81.07039	23.3
83.08616	7.5
85.02920	10.0
91.05495	10.6
91.81163	5.4
93.07041	16.3
95.08614	13.1
105.07030	11.7
107.08600	8.4
109.10182	8.0
114.14143	5.2
117.07066	6.8
119.08619	9.0
121.10114	6.6
131.08551	5.2
133.10150	5.8
137.02357	6.2
147.04337	7.1
149.02338	64.4
167.03426	100.0
193.12283	13.4
195.17818	5.5
211.13284	26.7
257.08249	5.6
267.15927	12.4
269.08066	50.8
270.08386	8.9
285.17038	26.4
325.14441	7.0
331.05011	7.8
335.25851	45.4
343.04987	9.0
381.09589	5.6
391.29959	5.8
393.20822	12.3
431.15469	13.4
449.16434	21.6
545.38483	34.5
570.26654	6.2
631.16803	9.3
770.42188	5.6
771.43201	10.7
778.53986	6.4
794.72461	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	770.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15498	1.3
55.01863	4.6
55.05517	21.4
56.72261	1.4
57.03444	7.7
57.07050	1.6
61.02916	1.4
65.03931	1.7
67.05507	31.9
69.03426	6.0
69.07074	9.7
69.36513	3.1
69.36925	6.9
71.04984	6.8
71.55212	1.4
79.05064	2.3
79.05499	34.6
81.03424	71.5
81.07058	33.0
83.04991	10.1
83.08139	2.0
83.08625	25.7
85.02917	11.0
85.06532	3.9
91.05487	31.2
93.07044	23.9
95.04977	25.7
95.08612	13.8
97.02882	6.1
97.06526	5.4
97.09632	1.7
97.10190	19.0
105.07037	22.4
105.44767	1.6
107.04973	13.7
107.08617	14.4
109.02872	2.4
109.06527	8.1
109.10168	8.6
111.04449	4.5
111.08086	10.3
113.05988	3.0
115.05441	3.2
117.07019	5.8
119.08598	18.8
121.06534	8.4
121.07262	1.4
121.10151	12.8
123.04392	2.6
123.08054	4.8
125.09638	16.3
127.03860	1.9
129.06996	11.7
131.04887	1.5
131.08582	16.7
133.06480	7.2
133.10129	7.6
135.08032	4.8
135.11668	1.8
137.05876	1.6
137.09706	1.6
141.06987	2.6
142.07736	3.0
143.08556	4.5
145.06474	9.1
145.10069	7.7
147.08063	7.2
147.11726	11.3
149.09647	9.0
153.09114	3.0
153.12747	2.0
155.08572	2.4
157.06384	1.7
157.10139	15.6
159.08018	2.8
159.11713	3.1
161.05963	3.0
161.09581	2.8
163.11186	4.1
165.12770	2.9
167.08458	1.4
169.10155	2.6
171.08018	2.5
171.11658	4.1
173.04562	1.8
173.09587	2.0
173.13248	2.6
175.11205	12.5
185.09560	2.2
185.13330	2.0
187.11223	1.8
189.09486	1.5
189.11198	7.7
189.12714	2.2
193.12248	23.8
197.13239	2.1
199.11296	2.5
205.12143	2.1
211.13246	10.3
213.12663	1.9
215.14354	2.9
217.12271	1.8
219.13802	4.3
225.12712	1.7
227.12712	8.8
229.14241	2.6
231.13693	1.6
233.15407	6.3
258.25983	1.5
259.13376	1.8
267.15945	40.1
273.14844	6.7
285.10193	1.9
285.17050	2.5
301.14249	3.4
307.26462	1.5
309.16748	3.0
339.23315	2.7
349.21503	3.9
357.24182	2.0
367.22714	17.2
385.23792	22.6
386.24057	2.1
403.24878	9.8
411.20590	2.6
421.25958	2.3
423.25140	1.9
429.20786	2.1
433.25858	3.7
441.26324	8.9
459.27444	93.9
460.27679	4.9
477.28571	100.0
478.28979	4.0
491.30090	14.4
501.28549	2.0
509.31366	13.8
567.29266	2.1
573.29645	1.9
585.30457	6.1
603.31683	7.4
621.32965	8.4
770.38727	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	770.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.5
55.05515	21.5
55.42432	1.5
57.03439	8.8
57.07085	1.5
65.03935	3.2
67.05510	56.8
69.03416	5.2
69.07072	19.5
71.05003	3.5
73.02908	1.5
76.78391	1.5
79.05498	70.6
81.03435	13.0
81.07062	58.9
83.04987	13.4
83.08628	11.1
85.02920	3.2
85.06551	4.0
91.05485	54.2
93.07050	59.9
95.04974	17.6
95.08051	2.4
95.08616	26.3
97.02886	2.8
97.06527	9.5
97.10123	1.7
103.05438	1.7
105.04524	2.1
105.07036	39.1
107.04964	6.9
107.08594	29.4
109.06516	6.6
109.10160	9.8
111.08109	3.1
117.07052	12.3
119.08582	26.1
121.06529	3.6
121.10150	9.6
123.08057	4.4
123.11699	2.6
127.03957	1.9
128.06238	3.2
129.07002	12.1
131.08595	11.0
133.06477	1.6
133.10132	16.9
135.08066	2.8
135.11722	8.1
137.09662	2.6
139.07608	1.5
143.08578	7.3
145.10120	14.8
147.07986	2.3
147.11700	29.2
149.09618	5.7
149.13272	6.4
157.10138	2.1
159.11716	6.2
161.09581	3.7
161.13316	7.1
163.11212	4.4
169.10133	2.3
171.11684	14.8
173.04417	1.8
173.09648	1.8
177.12709	2.5
183.11772	1.8
189.12766	6.7
195.13667	2.1
207.13806	16.1
227.12863	3.6
251.16711	1.4
253.14453	4.3
255.15997	5.3
257.19077	2.9
269.17459	15.0
275.20026	14.3
281.17480	43.0
304.91833	1.7
349.23795	6.7
367.24619	2.5
413.21887	1.8
443.41360	1.7
461.29065	18.8
475.30597	100.0
476.30707	4.6
479.26956	2.2
520.50763	2.0
555.36920	18.1
573.36224	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	768.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.3
57.03428	4.6
62.96283	2.3
67.05508	21.5
69.07056	6.5
69.54008	15.5
71.04977	2.0
77.39626	2.1
79.05493	22.4
81.03429	2.5
81.07061	18.8
83.04964	2.3
83.08601	5.5
91.05467	10.5
93.07044	26.1
95.04955	4.4
95.08607	24.8
97.02912	3.1
97.06505	2.8
97.10186	2.0
105.07015	9.9
107.05003	4.9
107.08601	15.4
109.10195	9.8
117.07031	2.7
119.08560	7.0
121.10139	9.1
123.11689	3.1
127.80940	1.9
131.34064	2.0
133.10083	5.1
135.11684	26.5
145.10110	15.5
163.11185	35.5
181.12282	6.4
184.07187	2.3
194.61931	2.8
227.12785	67.7
261.22092	7.2
283.15411	100.0
304.87305	2.0
335.25818	99.0
336.26141	2.7
543.36853	63.5
768.45654	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	768.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	12.4
55.05512	25.4
57.03445	10.8
57.07058	2.9
61.02915	4.5
63.70403	2.2
65.03948	6.1
67.05510	87.9
69.03436	6.5
69.07069	19.7
71.04989	6.2
71.55477	3.3
73.06552	3.1
79.05499	94.4
80.05828	3.9
81.03414	10.4
81.06586	4.7
81.07062	82.6
83.04981	17.4
83.08626	11.4
85.02911	5.5
85.06547	7.3
91.05488	100.0
93.07049	85.1
95.04980	24.6
95.08613	35.1
97.02899	4.0
97.06538	10.8
97.10188	4.6
103.05485	2.3
105.04523	4.1
105.07040	72.0
107.04975	17.5
107.08601	41.2
107.97680	2.4
109.06524	11.7
109.10162	48.7
111.08083	5.0
115.05448	3.3
117.07012	16.4
119.08591	29.0
121.06509	12.7
121.10136	13.6
123.08089	8.6
123.11729	9.1
128.06273	4.6
129.07027	18.3
131.08568	17.3
133.06477	7.6
133.10141	61.8
133.11095	4.4
135.08035	10.8
135.11691	7.0
137.09610	3.2
139.07559	3.0
143.08551	14.1
145.08977	3.5
145.10153	16.3
145.74075	2.1
147.08102	3.7
147.11697	37.0
149.09654	9.9
151.11177	26.3
157.10172	4.6
159.07953	2.0
159.11714	8.7
161.09665	10.6
161.13292	10.6
163.11151	3.5
169.12297	4.3
171.11700	23.7
175.11188	3.2
177.12677	3.7
181.10066	2.2
189.12776	10.7
201.93733	2.0
205.12267	2.5
207.13771	28.5
237.16429	2.8
245.19043	5.8
251.12701	3.4
253.14386	98.4
255.17381	3.6
273.18542	36.4
281.17471	62.4
291.19574	44.1
301.21710	3.0
309.20700	3.6
347.22247	15.5
365.23227	36.7
425.23108	2.5
475.26764	3.4
477.28500	42.5
543.37006	5.9
553.35291	15.6
571.36377	89.0
572.36566	5.8
598.19769	3.0
768.44366	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	768.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.2
55.05513	19.2
57.03429	5.5
57.07066	1.0
61.02921	1.3
65.03924	2.8
67.05510	37.8
69.03433	8.3
69.06729	1.8
69.07076	22.9
71.04984	3.7
73.06599	1.1
79.05497	47.1
80.27887	1.1
81.03413	9.0
81.07062	34.7
83.04983	8.0
83.08614	8.3
85.02926	2.0
91.05483	37.2
93.07044	35.9
95.04974	13.8
95.08614	19.3
97.02901	7.4
97.06522	5.0
97.10178	10.5
102.70756	1.1
105.04562	1.5
105.07037	24.9
107.04967	7.0
107.08600	17.5
109.06517	4.9
109.10155	6.4
110.68226	1.2
111.08104	2.2
115.05470	1.3
117.07035	8.6
119.04982	2.2
119.08588	21.2
121.06502	2.5
121.10167	5.3
123.08058	4.5
125.09611	5.4
129.07010	11.3
131.08574	9.4
133.06502	3.3
133.10141	7.5
135.08086	2.6
135.11694	1.7
137.09634	1.7
143.08580	7.5
145.10124	8.2
147.08070	5.2
147.11690	17.8
149.09645	2.0
149.13249	1.4
153.09103	1.0
156.09450	1.2
157.10147	2.9
159.11734	3.4
161.09633	3.9
161.13239	6.4
163.11148	1.5
165.09119	1.3
171.11684	14.3
175.11249	1.7
177.12863	1.3
189.11220	1.8
189.12758	4.3
205.12325	1.3
207.13777	13.1
223.13216	10.4
227.12810	3.2
249.14880	2.9
262.70859	1.3
273.18567	12.9
281.17480	43.4
291.19562	74.0
292.19980	2.9
347.22113	2.4
365.23270	26.4
473.28900	2.5
503.29611	1.6
553.35071	3.2
571.36304	100.0
572.36420	4.8
607.43268	3.6
769.48230	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
55.05511	0.9
57.03436	2.2
57.07076	0.5
60.31604	0.4
61.02928	5.9
65.03936	0.6
67.05512	5.5
68.89755	0.5
69.03442	3.3
69.07072	1.6
71.05019	0.9
71.55263	0.7
71.79604	0.4
73.02918	3.8
79.05499	4.1
81.03412	2.9
81.07065	5.7
83.04974	0.8
84.65527	0.4
87.04499	0.7
89.84051	0.5
89.99303	0.5
91.03954	4.0
91.05498	2.9
93.07050	4.4
95.04968	1.1
95.08622	3.5
97.02908	4.7
97.06482	0.8
97.10181	0.9
101.02397	2.3
105.07051	1.9
107.08611	1.9
109.02899	0.6
109.10178	1.8
115.03886	0.6
119.08559	2.3
121.10196	2.9
123.11736	1.0
127.03943	1.2
129.07043	0.6
131.08636	1.4
133.10164	0.9
135.11690	1.1
139.11290	0.6
145.10123	0.7
147.11664	0.9
149.09660	0.7
185.04274	0.8
193.12262	0.7
196.29863	0.5
233.46378	0.5
243.08453	3.0
251.12593	1.3
263.63971	0.4
269.13803	0.5
290.27451	0.5
335.25903	0.8
443.19022	2.9
469.20450	3.7
487.21646	3.7
505.27893	1.2
519.29443	6.7
521.30072	0.6
654.25946	0.5
719.43872	0.6
721.41266	1.1
747.42957	5.3
765.43896	100.0
766.44305	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	766.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	8.7
55.64105	1.4
57.03449	12.0
57.06829	2.1
57.07083	26.9
65.03975	1.6
67.05509	15.3
69.03407	1.6
69.07081	8.6
71.05008	1.6
71.08639	26.2
71.54913	1.9
79.05500	9.6
81.03424	59.1
81.07063	19.2
83.04984	3.9
83.08624	20.1
85.02911	3.4
85.06569	2.2
85.10195	12.4
89.06062	2.0
91.05495	12.7
93.07044	8.8
95.01343	1.5
95.04984	19.9
95.08617	18.7
97.02882	3.2
97.10178	5.4
99.04417	1.7
105.07029	10.1
107.04969	4.0
107.08595	2.9
109.06547	2.3
109.10151	8.3
111.08077	4.4
119.08631	7.5
121.06496	1.8
121.10163	4.4
123.04475	2.8
123.08034	2.0
123.11735	1.9
129.07013	6.0
131.08575	7.4
133.06505	3.4
133.10167	3.2
142.07823	2.0
145.10159	1.8
147.08047	3.5
147.11691	7.0
149.09612	2.0
157.10199	6.5
163.11270	1.6
175.11206	4.9
193.12268	23.2
195.00346	2.3
211.13383	2.0
235.13373	6.1
239.23763	4.9
249.14958	1.8
266.86063	1.5
267.15933	97.6
268.16330	2.0
306.28149	1.3
313.27393	100.0
314.27646	1.9
315.12415	2.2
333.53409	1.6
352.69489	1.4
371.34659	1.7
438.42368	1.6
443.19229	3.8
475.06903	1.5
489.30334	2.7
505.38934	74.9
506.39270	4.3
547.39911	5.1
601.40723	2.2
627.39063	2.1
663.40887	2.4
672.51886	1.4
766.46765	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	765.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.9
55.73544	0.7
57.03448	1.7
61.02928	5.9
61.42620	0.6
64.90845	0.6
67.05508	6.1
69.03434	3.9
69.07069	1.6
71.05000	2.9
71.55670	1.0
73.02911	4.0
79.05491	4.7
81.03436	3.0
81.07043	4.5
83.05011	0.8
91.03976	2.4
91.05478	4.0
93.07061	5.0
95.04958	0.9
95.08628	3.0
97.02887	4.6
97.06539	1.1
99.04499	0.9
101.02396	2.1
105.07063	2.7
107.08596	3.1
109.10168	5.1
117.07088	0.8
119.04961	0.9
119.08628	2.2
121.10201	2.0
127.03944	1.9
131.08545	1.1
133.10175	2.0
135.08017	0.7
135.11746	2.6
137.09654	1.3
140.81804	0.8
145.10124	1.3
147.04437	2.3
147.11736	1.1
149.02390	1.1
153.01906	2.0
154.31679	0.6
167.03462	2.5
170.24580	0.8
173.11784	0.8
185.04254	1.4
228.86746	0.7
243.08455	3.4
248.88849	0.7
253.14195	1.5
301.09012	0.9
356.60242	0.7
465.21173	1.1
471.21948	10.4
535.29175	4.8
543.24298	1.3
765.43939	100.0
766.44501	4.2
770.50470	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.44
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42621	0.3
55.01892	0.4
55.05513	1.6
57.03444	2.6
61.02933	7.0
65.82037	0.3
67.05179	0.4
67.05512	6.2
69.03440	4.3
69.07088	1.8
71.01363	0.6
71.04996	1.0
73.02922	5.1
78.16032	0.3
78.90398	0.3
79.05503	4.6
81.03424	2.6
81.07062	5.9
83.08616	0.8
86.09714	0.5
91.03965	4.4
91.05486	2.9
93.07051	5.1
95.04973	1.0
95.08606	3.6
97.02905	5.7
97.06535	0.4
97.53229	0.3
98.21507	1.1
99.04478	0.9
99.69816	0.4
101.02386	2.3
103.03984	0.6
103.47982	0.3
105.07047	1.7
107.08620	2.5
109.02902	1.4
109.06548	0.4
109.10184	1.0
110.39719	0.4
115.03989	0.4
117.07032	0.5
119.08615	1.3
121.10153	3.4
123.11749	0.7
125.00004	0.3
127.03900	1.7
129.06967	0.3
131.08542	2.0
133.10168	1.1
135.11682	0.8
135.71544	0.4
139.11220	0.5
145.10164	0.5
147.11722	0.8
149.09662	0.9
149.13220	0.4
157.10213	0.7
159.11722	0.4
167.03500	0.3
183.51326	0.4
184.07449	0.7
185.04289	0.6
193.12201	0.5
203.05196	0.4
225.11002	0.6
243.08409	2.6
269.13644	2.2
308.60715	0.4
335.25919	1.3
342.05832	0.4
443.18942	3.4
487.21539	3.2
519.29352	10.2
520.29889	0.4
538.37872	0.4
566.99097	0.4
634.11493	0.5
721.41455	1.8
747.43018	0.8
765.43994	100.0
766.44263	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	765.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
55.05503	1.1
57.03432	1.6
61.02929	5.9
67.05506	5.7
69.03442	2.6
69.07063	1.6
69.36808	0.4
71.01343	0.7
71.05001	0.8
71.25160	0.6
73.02923	4.2
79.05502	4.2
81.03420	3.6
81.07066	5.4
83.04984	0.9
83.08615	0.9
87.04473	0.9
91.03961	3.5
91.05474	2.4
93.07046	4.6
95.04988	1.1
95.08617	3.2
97.02898	5.9
97.06515	0.7
99.04464	1.2
101.02414	2.6
103.03928	0.5
104.10767	0.5
105.07040	1.4
107.08603	2.7
109.02921	1.3
109.06525	0.5
109.10165	1.0
112.94958	0.4
117.76929	0.5
119.08581	1.7
121.10159	2.9
122.85034	0.5
123.11734	0.5
127.03967	2.0
131.08591	1.7
133.10141	1.0
135.11696	0.8
135.89162	0.5
137.88301	0.4
139.11243	0.9
145.04991	0.6
145.10118	0.8
147.11745	0.5
149.09618	0.9
153.00830	0.5
157.10063	0.5
159.11655	0.6
163.14952	0.5
173.13249	0.5
184.07343	1.1
185.04254	1.0
193.12254	1.0
207.91783	0.5
243.08411	2.4
269.13660	2.3
336.46127	0.5
393.83160	0.5
443.19003	3.8
469.20688	1.3
487.21671	4.1
519.29309	7.8
721.41229	1.7
747.43079	1.6
765.43970	100.0
766.44440	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	763.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.05513	1.4
55.74541	0.5
57.03432	2.2
61.02930	6.0
64.55122	0.6
67.05519	4.3
69.03436	3.0
69.07078	1.8
69.17532	4.2
69.17940	1.6
71.05001	4.3
73.02928	4.9
79.05508	4.1
79.05895	0.7
81.03430	1.4
81.07057	7.1
83.04997	0.9
83.08615	1.0
85.02912	5.8
91.03961	3.5
91.05486	3.0
93.07059	3.5
95.04982	0.6
95.08622	2.5
97.02895	4.5
97.06512	0.6
97.85056	0.6
99.04458	0.9
101.02390	1.5
105.07050	1.5
107.08618	2.7
109.02888	0.7
109.10174	1.5
117.07044	0.7
119.08639	0.8
121.10168	1.6
123.11704	0.7
127.03962	1.3
131.08575	1.0
133.10164	2.3
135.11699	0.9
141.35358	0.6
145.10101	0.8
149.13303	1.1
151.11201	0.7
154.81348	0.6
159.11734	0.9
168.64212	0.7
241.68700	0.6
243.08440	2.2
267.15747	1.3
485.23593	8.0
519.29169	5.0
540.52734	0.6
587.53528	0.7
763.46057	100.0
764.46198	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	763.4605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.05511	1.6
57.03434	1.8
57.07066	0.3
61.02934	5.6
63.59104	0.4
65.52096	0.4
67.05175	0.5
67.05511	6.3
69.03434	2.9
69.07074	1.0
69.84657	1.4
71.01379	0.4
71.05006	2.4
71.12592	0.3
72.06344	0.3
73.02921	4.5
79.05508	3.1
81.03428	1.7
81.07063	6.3
83.08643	0.9
85.02908	4.7
85.06565	0.5
91.03968	3.7
91.05492	2.9
93.07052	4.6
95.04959	0.5
95.08613	4.0
97.02910	5.2
99.04459	0.8
101.02386	1.9
105.07052	1.3
107.08620	1.5
109.02879	0.6
109.10175	1.2
117.07040	0.6
119.08590	0.7
121.10169	1.9
123.11720	0.8
127.03939	1.5
131.08626	0.9
133.10143	1.4
135.11737	1.0
149.13223	0.6
151.11214	0.8
185.04248	0.5
198.39507	0.4
243.08453	1.7
267.15735	1.7
322.92654	0.4
323.18262	0.4
335.25912	0.9
485.23489	3.3
519.29340	8.3
520.29309	0.5
763.46051	100.0
764.46503	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	763.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.05517	1.4
57.03440	2.5
61.02933	5.2
67.05508	4.8
69.03430	4.5
69.07071	1.2
71.05000	1.0
71.55392	0.5
73.02921	3.7
73.85479	0.6
79.05515	3.0
81.03418	1.2
81.07067	4.2
83.04964	0.6
83.08601	0.6
85.02914	6.2
87.04482	0.7
88.03167	0.5
91.03956	3.3
91.05488	2.4
93.07046	4.4
94.17187	0.5
95.04983	0.5
95.08602	2.7
97.02912	5.2
99.04488	1.1
101.02385	2.0
105.07048	1.6
107.08613	2.0
109.02903	1.1
109.10165	2.0
117.07023	0.8
119.08604	0.9
121.10166	2.0
126.34944	0.5
127.03934	1.4
131.08636	1.1
133.10092	0.7
135.11734	1.7
145.10135	1.3
163.11327	0.7
168.55417	0.5
184.07393	0.9
185.04265	0.7
243.08572	1.6
246.58324	0.6
249.24983	0.5
267.12054	0.8
348.78366	0.6
411.20023	1.6
413.17877	1.7
435.40228	0.5
461.35022	0.6
467.18991	1.1
485.19849	2.9
519.29395	7.1
601.36340	0.6
689.41803	1.0
691.40326	1.0
745.40741	3.5
763.42273	100.0
764.42389	6.4
767.75336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.05517	1.4
57.03440	2.5
61.02933	5.2
67.05508	4.8
69.03430	4.5
69.07071	1.2
71.05000	1.0
71.55392	0.5
73.02921	3.7
73.85479	0.6
79.05515	3.0
81.03418	1.2
81.07067	4.2
83.04964	0.6
83.08601	0.6
85.02914	6.2
87.04482	0.7
88.03167	0.5
91.03956	3.3
91.05488	2.4
93.07046	4.4
94.17187	0.5
95.04983	0.5
95.08602	2.7
97.02912	5.2
99.04488	1.1
101.02385	2.0
105.07048	1.6
107.08613	2.0
109.02903	1.1
109.10165	2.0
117.07023	0.8
119.08604	0.9
121.10166	2.0
126.34944	0.5
127.03934	1.4
131.08636	1.1
133.10092	0.7
135.11734	1.7
145.10135	1.3
163.11327	0.7
168.55417	0.5
184.07393	0.9
185.04265	0.7
243.08572	1.6
246.58324	0.6
249.24983	0.5
267.12054	0.8
348.78366	0.6
411.20023	1.6
413.17877	1.7
435.40228	0.5
461.35022	0.6
467.18991	1.1
485.19849	2.9
519.29395	7.1
601.36340	0.6
689.41803	1.0
691.40326	1.0
745.40741	3.5
763.42273	100.0
764.42389	6.4
767.75336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.01875	0.7
55.05510	1.4
57.03439	2.0
61.02931	7.8
62.33440	0.3
65.03935	0.5
67.05512	6.1
69.03436	3.5
69.07073	1.2
70.50556	0.3
70.59654	0.7
71.01351	1.1
71.05004	0.8
73.02923	4.9
73.78650	0.3
78.35725	0.4
78.65813	0.3
79.05500	4.9
81.03426	2.8
81.07058	5.9
83.05000	0.4
83.08620	1.0
85.02911	6.4
86.09721	1.9
87.04500	0.5
91.03966	4.1
91.05491	2.6
93.07052	4.5
95.04989	0.9
95.08613	4.3
97.02889	6.0
97.06550	0.7
99.04454	1.0
101.02397	3.0
103.03965	0.5
105.07056	1.6
107.04961	0.6
107.08617	2.5
109.02900	1.1
109.10188	1.6
111.04453	0.6
117.07035	1.1
119.08591	1.4
121.10160	2.6
123.08113	0.4
123.11735	0.5
125.00018	1.2
125.09650	0.4
127.03928	1.8
127.10513	0.4
131.08595	1.3
133.10167	0.8
135.11696	1.9
139.92079	0.4
145.10155	1.1
149.13235	0.6
153.12784	0.6
163.11186	1.7
173.09706	0.6
184.07350	7.7
185.04301	1.2
185.07750	0.7
203.05324	0.5
209.11813	0.7
243.08447	2.7
249.10942	0.5
261.22473	0.3
267.12042	2.0
295.22919	0.4
335.25806	0.5
411.19635	0.5
437.07114	0.3
441.17426	1.7
455.34436	0.5
467.18893	1.8
485.19965	5.6
499.26755	0.4
519.29321	7.7
592.37476	0.4
719.39783	0.9
745.41199	5.3
763.42358	100.0
764.42426	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	763.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
61.02920	1.8
67.05504	2.7
69.03441	1.2
69.07082	0.8
73.02914	2.4
73.45228	0.7
79.05497	2.5
81.03433	0.9
81.07063	2.6
85.02921	2.8
89.82973	0.9
91.03967	1.5
91.05486	1.0
93.07061	1.5
95.08632	1.5
97.02897	2.1
98.20705	1.6
101.02358	0.8
107.08544	0.8
129.42369	0.6
134.35789	0.7
154.49799	0.7
184.07391	2.2
234.91116	0.7
243.08366	1.0
381.95804	0.7
388.41751	0.7
467.19128	2.0
485.19476	2.3
519.29248	3.3
576.55750	0.8
606.33887	1.0
607.10529	0.9
745.41132	4.8
763.41125	100.0
764.41296	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	761.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
55.01868	0.6
55.05509	1.5
56.68447	0.5
57.03442	1.9
61.02930	3.9
67.05509	4.0
69.03442	2.9
69.07066	1.8
69.19374	2.0
69.19804	2.7
71.01356	0.4
71.04999	0.7
73.02940	2.8
79.05507	3.7
81.03433	3.7
81.07065	5.0
83.05011	1.0
83.08620	1.2
85.02907	5.5
91.03985	2.5
91.05492	5.2
93.07065	2.6
95.04987	1.9
95.08604	2.8
97.02923	3.8
97.06538	0.9
99.04467	0.6
101.02397	1.5
105.07043	3.6
107.04950	1.0
107.08623	1.9
109.02942	0.5
109.06554	0.7
109.10136	0.6
111.08110	0.5
117.07093	0.5
119.08596	3.8
121.10188	1.0
127.03942	1.6
129.07059	0.8
131.08614	1.4
133.10150	2.7
135.11763	0.5
145.10170	1.2
147.11719	1.5
149.09645	1.1
151.11253	0.7
157.10136	1.1
159.11624	0.6
162.93042	0.4
167.66748	0.4
175.11214	0.7
184.07379	0.6
193.12331	1.3
203.05280	0.6
243.08537	2.9
251.12587	0.6
275.20148	0.7
283.18039	0.5
315.19269	3.8
371.22028	0.7
451.19424	0.5
469.20557	9.0
533.27551	3.6
535.28577	0.5
761.40833	100.0
762.41431	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	761.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.7
55.67720	0.6
57.03428	2.2
61.02922	4.2
63.37489	0.7
67.05507	5.1
69.03436	3.0
69.07072	3.3
71.01363	0.8
73.02921	2.9
79.05502	3.3
81.03425	2.4
81.07059	5.9
82.87217	0.7
83.08635	1.9
85.02908	3.8
85.46168	0.7
89.75383	0.7
91.03973	2.5
91.05499	3.2
93.07047	5.1
93.94324	0.7
95.04985	1.4
95.08621	3.2
97.02881	3.9
97.10153	0.9
99.04460	1.3
101.02412	1.6
105.07053	1.9
107.08611	3.2
109.06539	1.1
109.10191	1.2
117.07052	0.8
119.04947	0.9
119.08598	1.1
121.10134	1.6
127.03929	1.0
131.08575	1.0
133.10146	1.1
135.07993	0.7
135.11688	1.6
145.10172	1.6
147.04454	3.5
149.02437	0.9
149.13324	1.4
163.11165	0.8
167.03455	1.9
185.04286	1.4
201.05621	0.8
219.06551	2.1
243.08551	3.2
249.11107	1.1
281.08197	1.3
291.19800	1.0
295.02386	0.9
313.03543	1.1
321.11301	1.1
331.18854	1.0
339.12476	1.9
349.14569	1.0
367.15753	1.0
401.06677	0.8
423.21957	1.5
447.10913	1.6
453.21078	7.9
467.18997	2.1
469.20953	0.9
487.13919	1.7
507.51312	0.9
535.29169	1.1
549.27069	2.5
633.19788	0.8
761.40802	100.0
762.40625	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	763.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01881	1.1
55.05513	1.7
56.95964	0.4
56.96563	0.5
57.03448	2.7
59.05020	0.8
61.02932	4.3
67.05506	3.8
69.03445	3.3
69.07072	1.8
70.06622	0.4
71.01354	0.6
71.04996	1.7
71.55462	0.5
73.02923	2.9
79.05499	4.2
81.03428	3.5
81.07061	4.7
83.04980	1.2
83.08632	1.2
85.02922	5.1
85.06552	1.0
87.04436	0.7
91.03954	2.2
91.05491	4.8
93.07061	4.2
95.04987	1.9
95.08633	2.4
97.02905	4.9
97.06550	1.3
99.04489	1.1
101.02397	1.6
102.36363	0.5
103.03953	0.5
105.07037	2.8
107.04974	1.1
107.08614	2.9
109.02907	0.8
109.06563	0.8
109.10107	1.0
111.04459	1.0
111.08100	0.8
115.03991	0.5
117.07103	0.6
119.08614	1.5
121.06532	1.0
121.10149	3.8
123.08131	0.6
123.11744	0.8
125.09647	0.5
127.03956	1.6
129.07010	0.8
131.08604	1.7
133.10149	1.7
135.04362	0.6
135.08081	0.5
135.11743	1.4
137.05983	1.3
137.13326	0.5
139.03922	0.7
139.11234	0.7
145.04991	0.6
145.10185	1.3
147.04448	0.6
147.11749	1.7
149.09644	2.2
149.13319	0.7
157.10155	1.1
161.09593	0.5
163.04021	0.6
163.11244	0.7
163.78012	0.4
167.07082	0.9
171.06555	0.6
173.34248	0.5
175.11194	1.0
185.04297	0.7
189.09073	0.5
191.10864	0.4
193.12259	1.4
197.15424	0.6
203.05235	0.6
225.14938	0.7
230.06029	0.4
243.08470	2.7
267.12076	0.7
267.15997	1.8
274.93484	0.5
283.15231	3.8
285.13199	1.1
317.06662	0.5
339.17996	1.3
413.17831	0.6
427.19974	0.5
443.19315	0.7
443.31766	0.6
461.32782	0.8
469.20685	0.6
485.20065	5.2
501.23135	12.8
503.21033	3.3
601.30884	0.7
686.20795	0.6
726.94470	0.5
745.36230	6.8
763.36823	100.0
764.37512	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	761.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01863	1.5
55.05516	2.2
57.03434	1.8
61.02941	4.7
67.05511	5.4
69.03433	2.8
69.07066	1.9
70.59972	2.5
71.04970	0.8
72.06118	0.6
73.02918	2.8
79.05492	5.3
81.03426	2.3
81.07072	4.1
83.05006	1.3
83.08625	1.6
85.02913	3.4
91.03969	2.1
91.05482	4.2
93.07066	6.6
95.04953	1.7
95.08623	3.3
97.02917	3.3
98.20774	0.9
101.02423	1.2
105.07033	4.5
107.08616	3.1
109.10168	0.9
115.97778	0.7
116.21732	0.7
117.07003	1.0
119.08623	2.7
121.10151	1.3
127.03960	1.0
129.07039	0.9
131.08629	1.7
133.10184	2.4
135.11717	3.5
139.74100	0.8
143.08635	1.0
145.10135	1.3
147.11676	0.8
163.11218	2.5
184.07358	1.7
185.04367	1.1
201.03731	0.7
227.12807	1.7
243.08484	3.4
249.11018	9.4
301.08984	2.1
305.13626	1.4
347.14896	1.2
373.10953	1.0
393.15189	1.2
465.21307	0.9
467.18991	7.8
535.28656	8.1
535.56781	0.7
539.21240	2.1
761.40796	100.0
762.40881	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	1.9
69.07088	0.7
69.99958	3.2
79.05492	0.8
81.03426	1.0
81.07084	1.5
85.02885	1.1
86.04683	0.6
91.05493	1.6
91.35784	0.6
93.07029	1.0
95.08607	1.4
98.21420	0.9
107.08583	1.1
115.18203	0.6
121.10181	0.7
133.77884	0.6
161.05984	0.7
167.89688	0.5
180.30299	0.7
199.08664	0.5
243.87445	0.7
248.32050	0.6
328.81076	0.6
407.18149	0.6
530.40936	0.7
535.26910	0.8
761.38800	100.0
762.38885	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	761.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
55.05499	1.0
57.03440	1.9
59.04993	1.3
61.02929	3.8
67.05499	1.9
69.03453	2.8
69.03760	0.5
69.07073	0.6
70.69788	0.5
71.04994	1.4
71.25110	0.6
73.02917	3.1
79.05498	2.6
81.03417	5.6
81.07065	3.9
83.08641	1.4
83.65338	0.5
85.02911	4.8
87.04471	1.1
91.03946	3.1
91.05494	3.4
93.07033	2.6
95.04985	2.0
95.08614	1.7
97.02908	4.0
97.06542	0.6
99.04448	0.6
101.02409	1.3
103.03931	0.6
105.07046	2.6
107.08605	1.9
109.02899	0.9
109.06585	0.8
109.10122	0.6
111.04482	0.5
111.08112	0.7
119.08609	2.0
121.06487	0.6
121.10137	3.1
123.08146	0.7
127.03947	1.6
129.05435	0.5
129.07045	1.3
131.08585	2.4
133.10159	1.7
141.73582	0.5
143.13786	0.6
147.11760	2.0
149.09654	4.1
157.10190	1.6
175.11272	1.5
193.12328	2.2
197.15463	0.8
225.14964	0.8
243.08463	2.2
267.16064	1.6
283.15173	6.7
339.17963	1.6
469.21014	1.0
501.23105	29.4
502.23538	1.0
599.33862	1.3
759.98474	0.6
761.39319	100.0
762.39612	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	760.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.2
55.01877	5.2
55.05512	25.1
57.03441	26.7
57.07076	3.3
60.08158	3.0
61.02927	4.9
65.03943	3.6
67.05505	79.6
69.03411	5.1
69.07069	19.4
71.04990	7.1
71.07352	2.7
73.02902	2.6
73.88988	2.6
79.05067	4.0
79.05498	55.6
81.03426	100.0
81.07060	85.6
83.04985	7.9
83.08617	21.2
85.02914	5.4
85.06516	2.6
86.09707	6.9
91.03942	3.1
91.05486	51.5
92.02363	2.4
93.07055	58.1
94.07388	3.0
95.04983	32.9
95.08019	2.0
95.08606	47.2
96.08968	3.5
97.06549	5.1
97.10168	10.7
98.21590	5.8
104.10740	3.3
105.04559	2.7
105.07038	35.4
107.04922	5.8
107.08587	30.6
109.06543	4.8
109.10170	25.2
111.08086	9.5
111.30872	3.1
115.05457	3.1
117.07007	8.9
119.08594	28.0
121.06475	5.1
121.10137	26.6
123.08048	5.3
123.11694	6.9
125.00014	6.8
125.09663	3.5
129.07022	14.7
131.08585	20.5
133.06505	2.8
133.10141	18.7
135.08061	5.3
135.11716	15.4
137.09593	5.1
137.13210	2.7
139.12114	2.6
142.07848	4.0
143.08594	3.0
145.10149	13.7
147.08035	4.0
147.11691	17.1
149.09618	9.4
149.13272	7.6
157.10132	10.5
159.11726	7.8
161.13261	9.3
163.14876	3.2
173.13196	4.9
175.11255	6.3
175.14836	4.3
184.07367	35.9
187.14911	3.3
189.11177	3.9
193.12280	26.3
227.12778	10.6
243.21136	7.4
261.22098	20.7
267.15912	97.1
268.16312	2.6
301.25464	6.7
317.24826	3.3
329.21555	3.2
335.25809	91.5
355.69052	3.0
435.32675	6.8
453.33539	11.3
466.21201	4.4
471.35205	5.8
520.50153	2.8
527.37360	67.9
545.38330	49.5
546.38568	4.5
563.38934	4.9
691.53625	2.9
701.11578	2.5
760.30322	4.9
760.43195	61.2
761.41040	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	759.408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.9
55.89767	1.3
65.14906	1.3
67.05487	4.1
71.55024	1.7
77.11645	1.4
79.05507	2.8
81.07053	4.9
86.09718	5.6
91.05486	1.8
93.07031	1.8
95.08569	1.6
109.10131	1.9
125.00142	1.5
152.27371	1.4
179.88467	1.5
184.07361	13.6
185.07730	1.9
205.58400	1.5
321.26505	1.6
481.18411	2.4
504.37756	1.8
562.41626	2.1
759.40680	100.0
760.40857	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	759.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
55.01872	1.1
55.05515	2.5
57.03432	2.5
61.02931	5.0
61.88384	0.5
65.03963	0.5
67.05508	8.2
69.03442	2.9
69.07077	2.5
70.62319	1.3
71.01387	0.6
73.02916	3.2
77.03967	0.4
79.05496	8.9
81.03430	4.8
81.07063	7.2
83.05006	0.8
83.08640	1.7
85.02920	5.1
88.88355	0.4
91.03979	3.1
91.05486	7.5
93.07049	8.5
94.07393	0.4
95.04958	2.5
95.08617	4.8
97.02893	3.2
97.10217	0.7
99.04450	0.6
101.02417	1.6
102.82054	0.5
105.07035	5.2
107.04982	0.9
107.08607	3.5
109.02908	1.0
109.10180	1.3
112.29217	0.5
117.07059	1.9
119.08590	3.8
121.10160	2.2
123.08117	0.7
125.09718	0.5
127.03928	1.1
129.07045	1.5
131.08585	2.8
133.10147	2.5
135.11731	2.1
137.99159	0.5
143.08592	0.6
145.10141	1.9
147.11710	2.7
149.09708	0.6
159.11728	0.9
161.13327	1.6
163.11275	0.7
171.11752	2.0
184.07368	1.2
185.04315	1.3
191.10716	0.5
193.12309	1.1
227.12910	0.6
243.08444	2.8
247.13155	1.8
259.20660	0.6
261.22446	0.5
267.15909	2.8
283.15527	0.6
291.51425	0.6
301.09085	1.0
301.16577	1.4
315.10785	0.7
335.25751	4.1
336.26218	1.0
371.40826	0.5
379.19714	1.0
465.21060	9.5
495.22357	0.5
495.29459	0.5
527.37408	1.3
535.28833	6.5
537.23053	2.0
544.37073	0.8
545.38458	1.7
562.38379	1.3
621.32562	0.6
759.42920	100.0
760.43127	6.6
779.27686	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
54.54739	0.4
55.01867	1.0
55.05516	3.9
56.56374	0.3
57.02251	0.3
57.03450	1.7
57.07074	1.0
65.03938	0.8
67.05516	6.5
69.03421	1.8
69.07076	5.6
69.94421	0.4
71.01357	3.7
71.05005	0.8
71.55384	0.4
73.02925	4.3
74.32371	0.4
75.04478	0.7
79.05504	4.8
81.03407	1.0
81.07066	12.7
83.01357	0.5
83.04984	1.3
83.08627	3.1
85.02915	10.1
85.06533	0.6
86.09722	0.5
91.05482	5.0
93.07053	11.4
95.01342	4.9
95.04981	3.5
95.08617	19.6
96.01672	0.4
96.08952	0.4
97.02895	1.1
97.06541	1.2
97.10188	1.6
99.00887	0.5
99.04484	1.1
101.02380	2.5
103.03981	1.0
105.07040	10.1
107.04987	0.6
107.08606	19.7
108.08956	0.5
109.02834	0.4
109.06534	2.2
109.10168	10.7
111.08093	0.8
111.11759	0.7
112.22228	0.3
113.02399	3.2
114.29929	0.4
117.07053	1.3
119.08597	14.5
121.06522	2.4
121.10159	14.9
123.08095	2.3
123.11720	6.4
125.09673	0.7
127.03931	44.8
128.04312	0.8
129.07082	0.7
131.03426	1.9
131.08585	2.8
133.10150	12.3
135.08072	2.9
135.11705	9.7
136.09923	0.4
137.09659	1.3
137.13264	2.6
139.11215	0.6
141.01837	6.8
141.07072	0.4
142.07851	0.4
143.08556	2.1
144.09354	0.8
145.05008	1.6
145.10135	5.0
147.08078	1.6
147.11700	7.2
149.09598	2.2
149.13275	8.8
151.11188	0.8
151.14832	0.4
155.08568	0.5
157.10150	3.7
159.02957	0.4
159.08112	1.0
159.11697	4.8
161.09663	2.6
161.13251	6.3
163.11226	1.7
163.14845	2.5
165.12782	0.3
169.10197	1.0
171.11700	2.7
172.12479	0.4
173.09680	1.4
173.13280	3.9
175.11237	3.1
175.14827	6.1
177.12825	0.5
177.16397	5.6
177.17830	0.5
179.14270	0.4
181.10167	0.5
183.11726	1.4
185.13324	1.6
187.11221	2.0
187.14835	5.7
189.12766	2.3
189.16408	11.7
189.18123	0.6
191.18040	3.0
197.13287	1.2
199.11131	0.5
199.14897	2.4
201.12808	0.9
201.16388	2.4
203.14355	1.6
203.17992	3.6
209.13275	1.0
211.14906	1.3
213.12958	0.5
213.16397	3.0
215.14427	0.8
215.18042	1.8
217.15863	4.6
217.19524	0.6
219.17522	1.4
223.07001	0.3
223.14890	0.6
225.16451	0.8
227.18034	1.3
229.15880	2.1
229.19624	1.1
231.17453	4.8
233.19064	0.5
235.16951	0.5
237.16447	0.7
239.18039	1.1
241.19595	1.6
243.17535	0.6
243.21140	0.7
245.18987	4.1
249.16359	0.6
251.18011	0.8
253.19621	0.8
255.09016	0.4
255.20995	0.8
257.19095	0.7
257.22665	0.4
259.20639	1.2
265.19601	0.5
267.21207	1.0
269.22546	0.6
271.20496	0.7
279.21243	0.5
281.22662	0.8
283.20801	0.6
283.24207	0.6
285.22134	4.2
293.22675	0.7
297.22247	0.4
299.23788	0.6
307.24310	0.7
311.23676	1.0
319.24490	0.6
325.25323	1.6
333.25961	0.4
337.24902	0.8
365.16443	0.4
379.29745	0.4
393.35269	0.7
403.33652	4.0
421.34677	15.3
422.35239	0.7
429.26419	0.4
439.35733	2.8
469.29691	0.9
495.31247	0.5
497.32681	0.4
547.38000	1.9
548.32007	0.4
565.38947	100.0
566.39203	6.3
583.39990	1.2
615.39258	2.9
759.43860	10.5
760.43860	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01858	1.5
55.05275	1.0
55.05517	15.0
57.03445	6.0
57.07065	2.5
60.43078	0.7
60.89826	0.7
61.02914	3.1
61.56689	0.9
65.03928	3.6
67.05511	65.7
69.03433	2.0
69.07077	13.2
69.22239	5.7
69.22637	2.0
70.86629	0.8
71.04599	1.2
71.04999	20.6
71.08628	0.8
71.84995	0.7
73.02923	1.1
75.55015	0.7
77.03931	1.1
79.05499	31.8
79.63772	0.8
81.03403	1.1
81.07065	94.5
81.72193	0.8
82.07379	1.5
83.04975	3.4
83.08624	8.1
85.02894	3.7
85.06560	7.2
91.05491	28.6
93.07051	38.7
95.04958	3.2
95.08617	23.2
97.02866	1.5
97.06541	5.0
97.10166	1.4
105.07045	17.6
107.08611	19.8
109.06519	2.3
109.10157	13.0
111.08096	1.7
115.05358	0.8
117.06996	4.7
119.08578	9.2
121.10145	14.2
123.11722	12.3
131.08586	8.7
133.10139	16.1
135.11716	9.3
145.10135	3.7
147.11696	3.0
149.13268	5.2
151.11227	5.0
157.10123	1.5
159.11687	6.0
161.13261	2.7
169.12238	1.6
173.13277	3.2
177.12770	2.0
179.14273	1.2
183.13795	2.6
187.13306	2.6
187.14839	1.6
195.13806	1.8
201.14813	1.1
227.16365	1.6
243.21013	1.2
261.22156	2.8
269.17456	4.8
285.16718	1.0
301.20096	18.3
317.24747	1.0
335.25812	29.6
393.31479	1.1
411.32474	1.2
437.33835	1.2
485.36267	2.7
503.37354	100.0
504.37601	6.5
517.38867	5.6
529.39063	14.3
561.41541	91.5
562.41895	5.3
608.13513	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	758.4692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.4
54.62013	2.0
55.01864	8.5
55.05514	27.6
57.03448	19.7
58.78827	2.1
61.02916	7.6
64.38437	2.0
65.03944	4.8
66.14508	2.0
67.05511	100.0
69.03425	6.4
69.07075	27.8
69.46873	16.3
71.04987	7.4
79.05502	72.4
79.99576	2.0
81.03426	16.1
81.07066	93.9
83.01341	3.6
83.04999	22.1
83.08635	17.4
85.02906	9.1
85.06551	6.6
86.09734	3.0
91.03969	2.3
91.05487	51.7
93.07050	87.5
93.07636	4.8
94.07378	3.3
95.04982	12.1
95.08613	64.4
97.02898	13.7
97.06543	11.2
97.10174	8.6
99.04468	3.7
99.08116	3.9
105.04510	3.2
105.07049	34.9
107.04988	14.3
107.08598	41.6
109.02886	3.4
109.06525	7.9
109.10169	35.5
111.04451	14.7
111.08089	4.6
115.03954	2.3
117.07015	21.6
119.08591	34.4
121.06533	6.2
121.10159	38.3
123.08087	7.4
123.11713	7.8
125.05964	2.5
125.09640	7.8
128.06216	2.5
129.07030	6.6
130.07777	2.2
131.08582	21.3
133.06517	2.6
133.10136	22.3
135.08067	5.2
135.11717	28.9
137.09631	4.5
139.11217	2.8
143.08572	7.7
145.06442	3.3
145.10133	33.0
147.08086	4.2
147.11646	10.8
149.09613	8.1
149.13255	8.7
150.31479	2.1
151.11150	2.2
153.12769	8.2
155.08568	4.8
157.10165	6.2
159.11688	12.2
161.09612	3.0
161.13255	10.0
163.11195	30.2
163.14824	5.4
171.11664	5.2
173.09624	10.6
173.13297	7.3
175.11180	2.9
181.12273	8.3
183.11690	2.5
184.07326	13.2
185.13188	3.4
187.14854	4.9
189.12790	2.9
191.10596	11.9
209.11739	32.4
227.12753	18.5
241.19579	2.7
243.21071	4.3
253.14330	4.1
255.15839	2.6
259.20532	4.1
261.22205	20.5
266.85107	2.3
283.15414	57.9
297.22305	2.3
299.14941	4.2
301.16479	61.1
301.21729	3.5
315.23273	5.7
317.24854	2.5
326.70700	2.1
333.24167	2.9
335.25848	90.8
336.26065	3.6
389.27103	3.0
433.31281	7.2
451.32101	12.5
469.33173	8.6
487.34482	4.8
519.16083	2.1
525.35895	19.3
543.36884	83.6
544.37140	4.0
561.37915	47.5
612.40796	2.2
668.40881	3.7
758.43378	6.9
759.41962	7.0
788.76819	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	757.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01866	0.5
55.05516	0.9
57.03439	2.7
57.07083	3.2
59.05016	0.8
61.02935	5.1
64.78566	0.5
67.05515	3.9
69.03437	2.9
69.07071	1.9
69.54887	3.3
71.05019	0.7
71.08652	2.5
73.02930	4.1
79.05502	1.8
81.03433	2.5
81.07073	5.1
83.04993	0.6
83.08633	2.1
83.72466	0.5
85.02914	5.7
85.06567	0.5
85.10198	1.3
86.09714	0.9
87.04491	0.8
91.03973	3.5
91.05489	2.4
93.07061	2.3
95.04980	0.6
95.08597	3.8
97.02892	4.5
99.04465	0.9
101.02402	1.8
102.20068	0.5
105.07056	1.7
107.08617	1.3
109.02879	0.7
109.10188	1.5
112.29205	0.4
119.08627	1.8
121.10170	1.4
123.11736	0.5
127.03949	1.5
129.07037	0.7
131.08537	0.8
133.10175	0.8
147.11737	1.2
149.09691	0.9
157.10144	0.9
175.11284	0.8
184.07394	2.6
193.12300	0.9
203.05435	0.7
225.14809	0.8
243.08420	2.5
283.15173	4.6
313.27527	1.4
339.18109	1.1
478.42386	0.6
497.31006	6.9
501.23126	9.9
503.37152	0.7
519.29852	0.7
561.41016	1.1
595.41351	0.6
757.46997	100.0
758.47137	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	757.4708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.05512	1.3
57.03434	1.6
57.07086	2.6
59.04993	0.8
61.02929	5.1
67.05511	2.7
69.03436	2.9
69.07052	1.4
70.66559	1.5
71.04980	0.9
71.08636	2.2
73.02931	3.9
78.87205	0.5
79.05499	1.9
80.01298	0.5
81.03421	4.3
81.07063	3.5
83.04948	0.6
83.08620	1.8
85.02907	5.6
85.10187	1.1
86.09726	0.5
87.04479	0.8
89.36225	0.4
91.03954	3.3
91.05502	1.8
91.14458	0.5
93.07073	0.9
95.05001	1.2
95.08620	2.9
97.02900	5.3
97.06534	0.8
97.10227	0.6
99.04456	0.6
101.02399	2.0
103.03963	0.8
105.07063	1.7
107.08630	0.8
109.02835	0.5
109.06539	0.6
109.10172	1.0
111.08084	0.9
119.08527	0.7
121.10172	1.7
125.00041	0.8
127.03956	1.2
129.07068	0.9
131.08595	1.2
133.10164	1.2
134.97449	0.5
147.11720	0.8
149.09631	1.2
159.47002	0.5
168.50665	0.5
174.80559	0.5
184.07413	2.0
185.04166	0.8
193.12309	1.3
203.05316	0.9
207.00812	0.5
243.08482	2.1
267.16138	0.9
283.15277	3.6
288.40353	0.5
313.27386	1.4
339.17975	0.9
346.68982	0.6
398.52902	0.5
497.30920	5.8
501.23126	14.2
549.83521	0.5
595.42114	0.7
757.47107	100.0
758.47614	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	757.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01866	1.0
55.05511	2.8
56.34497	0.5
57.03427	1.9
61.02930	4.5
65.03929	0.6
67.05505	8.6
68.56117	0.5
69.03439	2.4
69.07067	3.4
69.68508	0.9
69.68925	2.9
70.74759	0.5
71.01372	0.6
71.05004	1.2
73.02922	4.0
79.05494	7.4
81.03414	3.5
81.07062	7.1
83.04991	2.2
83.08617	1.4
85.02908	4.2
85.06557	0.6
87.04527	0.6
89.79894	0.6
91.03975	2.3
91.05477	6.8
93.07046	7.8
95.04971	2.3
95.08612	5.0
97.02891	2.8
97.06543	1.2
97.10190	1.0
99.04435	0.6
101.02404	1.9
104.76407	0.7
105.07059	5.8
107.04974	2.2
107.08627	2.7
109.06519	0.6
109.10177	2.2
111.38893	0.6
117.07041	1.8
119.08576	3.5
121.06501	0.9
121.10164	1.5
123.11737	0.6
127.03891	1.3
129.07027	1.3
131.08607	1.6
133.10132	3.1
135.08083	0.6
135.11711	1.3
139.14008	0.6
143.08571	1.2
145.06500	0.6
145.10161	1.8
147.11725	2.4
149.09698	0.6
149.13284	0.9
157.10057	0.5
159.11703	1.1
161.13271	1.3
163.11165	1.0
169.58696	0.6
171.11731	0.9
179.14355	1.0
184.07321	1.2
185.29202	0.5
186.91039	0.5
227.12933	0.6
243.08308	2.6
243.21355	0.6
247.13107	1.1
283.15469	1.0
299.14966	1.5
300.15494	0.7
301.16577	1.3
315.19232	3.8
335.25946	2.9
336.26257	1.0
349.13489	0.5
371.22214	0.6
465.21085	10.8
498.31891	0.6
533.27313	7.9
543.36700	1.5
560.37036	0.8
561.38214	1.0
624.43842	0.6
687.10468	0.6
752.18762	0.7
757.41339	100.0
758.41620	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	757.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02946	1.4
62.71891	1.3
67.44233	1.3
69.03426	3.1
69.30302	1.7
73.02878	1.9
81.03413	3.5
84.30456	1.4
85.02889	10.1
93.03419	1.5
97.02876	1.7
101.52176	1.6
109.02872	3.7
116.98680	1.8
119.04945	3.8
119.24773	1.5
121.02879	26.2
123.04405	3.7
127.03905	4.6
135.04413	3.1
139.03893	5.1
145.02879	5.1
147.04422	1.5
151.03897	2.7
159.04469	1.9
163.03876	4.4
177.05473	2.1
179.03392	2.9
187.03854	2.2
189.01846	4.9
191.03368	4.6
195.02870	3.9
201.05414	2.1
203.03395	7.9
205.04993	1.8
207.03014	7.4
215.03363	2.2
217.05006	4.2
219.02870	6.9
221.04544	2.4
229.04944	5.4
233.04507	3.0
245.04359	2.0
247.05946	2.3
255.02924	3.4
257.04306	2.8
266.94699	1.5
267.02707	1.9
267.06409	2.6
268.07257	4.0
273.03854	2.0
279.06464	4.6
281.08124	7.4
283.06030	8.7
284.06509	1.9
291.06589	1.9
293.08105	2.4
294.05267	20.8
295.06046	69.4
295.09317	2.7
296.06689	6.6
297.07697	7.8
307.02628	3.1
307.06030	44.8
308.06769	17.4
309.07648	14.4
313.07117	8.2
319.06015	5.1
320.06815	3.3
321.07614	27.8
322.08316	13.3
323.05563	3.2
323.09128	4.8
325.07089	100.0
326.07468	3.3
329.07666	2.5
333.07599	6.8
335.05612	2.7
335.09164	12.2
336.06180	2.8
337.07080	73.2
338.07535	1.9
339.05002	2.2
339.08640	3.0
345.07544	2.0
347.09119	10.4
349.07065	33.5
350.07675	2.7
351.04630	1.8
351.08621	25.6
353.06607	3.0
355.08185	18.6
357.07462	2.6
361.07068	14.5
363.08688	8.7
365.06351	2.7
365.10263	15.5
367.08057	5.2
373.07019	5.1
375.08636	9.9
379.08160	49.9
380.08508	2.2
385.07175	1.9
389.10266	4.1
391.08212	28.4
403.08154	26.9
409.09244	20.4
415.08157	4.1
417.09564	3.5
421.09323	19.6
422.09464	1.8
427.10324	7.7
433.08893	2.9
439.10272	11.8
445.09271	4.9
457.11380	32.8
459.10419	2.1
463.10297	6.0
469.10385	2.2
475.11945	4.9
481.11340	11.8
487.12604	8.0
499.12341	9.2
505.11328	2.6
511.12146	6.8
517.13635	11.6
523.12524	14.4
541.13348	26.3
553.12982	2.2
559.14539	8.4
571.14545	18.5
572.14307	2.0
577.15332	3.4
583.14661	7.6
589.15668	22.6
601.15527	19.1
619.16626	68.2
620.16443	3.1
637.17511	14.4
643.16516	14.4
655.16571	2.0
661.17737	12.8
673.17749	16.6
685.17749	14.2
691.18457	5.0
703.18915	15.9
721.09784	2.0
721.19946	19.9
739.20428	8.0
764.57056	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	3.1
53.03944	5.1
55.01866	3.4
55.05275	2.0
55.05516	26.6
55.23320	0.9
57.03193	1.2
57.03446	15.0
57.07065	2.7
59.05006	2.3
61.02918	4.0
63.55723	0.8
65.03939	2.9
67.05509	54.9
69.03431	2.8
69.07070	13.2
69.23187	7.8
71.01346	2.2
71.04996	2.1
71.78542	0.9
73.02901	1.6
77.03931	1.4
79.05502	39.0
80.05811	1.0
81.03432	5.0
81.07062	59.4
83.04982	5.4
83.08629	15.2
85.02916	4.7
85.06527	2.5
90.88481	0.9
91.03946	1.4
91.05486	36.0
93.07052	47.0
95.04967	6.6
95.08614	40.4
97.02898	6.5
97.06541	5.1
97.10164	4.0
99.00205	1.2
99.00826	17.4
99.08088	1.6
105.04557	1.1
105.07034	26.8
107.04980	6.8
107.08601	29.0
109.02881	11.5
109.06511	3.6
109.09464	1.4
109.10163	17.8
111.08084	4.1
115.03934	3.7
117.06995	6.8
119.05086	1.1
119.08586	19.2
121.06508	7.9
121.10147	15.4
123.04427	1.9
123.08051	2.0
123.11717	8.1
125.09631	1.7
127.03911	2.7
128.06195	2.0
129.07025	1.5
131.08594	10.9
133.06500	1.3
133.10139	40.0
135.08075	1.8
135.11693	9.9
137.05980	1.7
137.09653	1.4
137.13263	1.6
139.07578	2.3
143.08594	5.2
145.06473	1.2
145.10101	9.8
147.11742	8.0
149.09676	2.0
149.13301	6.2
151.11220	11.3
157.09996	1.2
159.11713	5.3
161.09637	18.6
161.13235	3.4
163.11124	1.8
163.14810	2.4
171.08046	4.2
173.13248	3.7
175.14771	1.3
177.16493	1.3
178.44684	0.8
179.10657	8.0
180.25455	0.9
184.07346	2.1
187.14812	1.9
189.09116	7.5
197.11703	2.6
201.16458	1.6
207.10182	4.2
225.11253	15.1
227.12833	1.8
243.12296	2.9
243.21111	8.9
261.22159	19.0
267.15967	2.7
275.20068	3.8
277.21597	1.9
279.23264	1.1
281.13879	4.8
285.17041	1.3
299.14908	86.6
300.15332	1.9
315.23141	3.0
317.24713	3.1
333.24231	1.5
335.25818	100.0
336.26111	2.3
349.23694	1.6
364.29178	1.0
367.24554	1.2
421.30804	1.1
431.28864	1.0
449.30194	2.4
467.31558	4.3
485.32626	2.0
513.35608	2.0
531.36462	2.3
541.35168	10.4
559.36346	49.4
560.36682	4.0
577.37189	2.0
609.10175	1.1
728.28375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.2
55.01876	13.1
55.05515	20.1
57.03441	12.9
57.61792	1.7
58.06598	2.1
61.02915	3.7
64.51732	2.3
65.03925	3.7
65.12113	2.2
67.05510	56.0
67.21233	1.8
69.03423	3.5
69.06783	2.6
69.07078	28.2
70.02786	1.9
71.04987	5.1
79.05069	3.2
79.05499	48.5
81.03425	50.2
81.07066	67.3
83.04986	14.2
83.08618	19.9
85.02911	24.7
85.06524	2.2
86.85164	2.2
91.05491	71.4
93.07048	39.2
95.01344	8.3
95.04984	26.8
95.08611	39.2
97.02879	3.5
97.06543	29.6
97.10206	3.9
99.04459	3.0
99.08093	2.5
103.05489	2.3
105.04517	3.0
105.07038	79.8
107.04964	19.0
107.08603	16.0
109.06520	7.7
109.10160	12.4
111.04450	2.5
111.08076	7.7
113.06039	3.4
117.07040	12.0
119.04940	2.1
119.08589	45.9
121.06539	5.3
121.10150	15.0
123.08064	4.9
123.11693	3.2
125.09634	2.5
129.07008	12.0
131.08569	27.0
133.06575	2.6
133.10144	45.4
135.08041	3.1
135.11681	6.9
143.08566	4.1
143.37416	2.2
145.06503	4.5
145.10127	20.9
147.08022	5.0
147.11702	25.0
149.09689	9.8
149.13313	2.5
157.10141	13.1
159.11720	8.9
161.13245	3.7
163.11269	3.8
165.12805	2.9
169.10193	2.8
171.11555	2.5
173.13188	2.9
175.11214	9.4
177.12715	2.5
179.14345	12.2
183.11749	2.6
184.07407	2.4
193.12263	23.2
198.14876	3.3
211.13280	31.3
217.07120	2.1
224.16457	2.4
229.75221	2.9
257.19119	6.9
267.15945	40.4
275.20065	77.9
285.16983	66.9
293.21127	5.7
335.25851	3.6
337.78265	2.4
349.23767	36.3
541.35291	51.4
542.36157	4.7
550.40942	3.6
559.36334	100.0
560.36597	4.5
576.41888	5.6
585.29150	3.3
586.29010	11.8
738.47308	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	756.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	3.1
53.03944	5.1
55.01866	3.4
55.05275	2.0
55.05516	26.6
55.23320	0.9
57.03193	1.2
57.03446	15.0
57.07065	2.7
59.05006	2.3
61.02918	4.0
63.55723	0.8
65.03939	2.9
67.05509	54.9
69.03431	2.8
69.07070	13.2
69.23187	7.8
71.01346	2.2
71.04996	2.1
71.78542	0.9
73.02901	1.6
77.03931	1.4
79.05502	39.0
80.05811	1.0
81.03432	5.0
81.07062	59.4
83.04982	5.4
83.08629	15.2
85.02916	4.7
85.06527	2.5
90.88481	0.9
91.03946	1.4
91.05486	36.0
93.07052	47.0
95.04967	6.6
95.08614	40.4
97.02898	6.5
97.06541	5.1
97.10164	4.0
99.00205	1.2
99.00826	17.4
99.08088	1.6
105.04557	1.1
105.07034	26.8
107.04980	6.8
107.08601	29.0
109.02881	11.5
109.06511	3.6
109.09464	1.4
109.10163	17.8
111.08084	4.1
115.03934	3.7
117.06995	6.8
119.05086	1.1
119.08586	19.2
121.06508	7.9
121.10147	15.4
123.04427	1.9
123.08051	2.0
123.11717	8.1
125.09631	1.7
127.03911	2.7
128.06195	2.0
129.07025	1.5
131.08594	10.9
133.06500	1.3
133.10139	40.0
135.08075	1.8
135.11693	9.9
137.05980	1.7
137.09653	1.4
137.13263	1.6
139.07578	2.3
143.08594	5.2
145.06473	1.2
145.10101	9.8
147.11742	8.0
149.09676	2.0
149.13301	6.2
151.11220	11.3
157.09996	1.2
159.11713	5.3
161.09637	18.6
161.13235	3.4
163.11124	1.8
163.14810	2.4
171.08046	4.2
173.13248	3.7
175.14771	1.3
177.16493	1.3
178.44684	0.8
179.10657	8.0
180.25455	0.9
184.07346	2.1
187.14812	1.9
189.09116	7.5
197.11703	2.6
201.16458	1.6
207.10182	4.2
225.11253	15.1
227.12833	1.8
243.12296	2.9
243.21111	8.9
261.22159	19.0
267.15967	2.7
275.20068	3.8
277.21597	1.9
279.23264	1.1
281.13879	4.8
285.17041	1.3
299.14908	86.6
300.15332	1.9
315.23141	3.0
317.24713	3.1
333.24231	1.5
335.25818	100.0
336.26111	2.3
349.23694	1.6
364.29178	1.0
367.24554	1.2
421.30804	1.1
431.28864	1.0
449.30194	2.4
467.31558	4.3
485.32626	2.0
513.35608	2.0
531.36462	2.3
541.35168	10.4
559.36346	49.4
560.36682	4.0
577.37189	2.0
609.10175	1.1
728.28375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
54.02248	0.9
55.01870	4.3
55.05260	1.5
55.05511	16.9
57.03440	8.2
59.04997	1.4
67.05508	19.3
69.03430	4.1
69.07074	5.0
69.55410	5.5
71.04990	2.3
73.21709	0.9
79.05499	24.1
81.03422	51.1
81.07063	18.3
83.04983	4.5
83.08628	16.0
85.02923	2.1
91.05490	16.1
91.89554	0.9
93.07050	18.5
95.04974	22.0
95.08615	8.9
97.06531	2.9
97.10176	16.4
105.07036	12.7
107.04968	15.5
107.08596	11.9
109.02821	1.2
109.06534	8.0
109.10175	5.3
111.04449	1.9
111.08065	5.6
115.05429	1.4
117.07033	6.1
119.08588	10.6
121.06520	9.8
121.10139	7.3
123.08062	3.6
125.09650	13.2
129.07028	9.2
131.04912	1.8
131.08565	10.9
133.06483	4.4
133.10121	4.5
135.04364	1.7
135.08087	4.9
135.11726	2.5
137.09581	2.0
141.06976	1.4
142.07814	1.8
143.08568	1.7
145.06490	6.6
145.10121	3.9
147.04419	2.0
147.08080	4.9
147.11690	6.4
149.09631	5.2
153.09129	2.2
155.08536	2.0
157.06512	1.6
157.10135	5.1
159.08072	2.6
159.11697	3.4
161.05988	1.8
161.09598	1.5
163.11226	3.4
167.08597	1.1
167.10753	1.2
169.10139	2.0
171.08235	1.3
171.10167	1.8
171.11671	1.7
173.09576	1.6
173.13309	1.6
175.07626	1.3
175.11188	6.3
177.12750	1.6
185.09630	1.6
185.13295	1.7
187.11221	1.9
189.11205	5.9
189.12744	2.4
191.14281	1.5
193.12241	14.2
195.11696	1.7
197.09636	1.1
197.13280	1.7
199.11201	2.2
203.14293	1.3
205.12250	1.5
211.01559	1.1
211.13220	2.0
213.12892	1.3
215.14355	2.4
219.13924	3.1
223.11340	1.2
223.13290	2.0
225.12784	1.1
227.12581	1.6
227.14488	1.7
231.13747	1.3
233.15411	4.2
237.12804	1.3
245.15370	1.6
249.14854	1.5
249.67122	1.1
255.13820	2.2
257.15381	1.2
259.13306	1.7
267.15936	39.3
267.64188	1.1
273.14749	6.1
279.48062	1.2
293.17267	1.1
339.23132	2.2
349.21619	4.1
357.24429	2.2
367.22668	14.5
385.23730	26.0
385.28482	1.8
403.24817	8.8
405.24280	1.2
441.26309	10.9
459.27454	100.0
460.27710	3.2
477.28534	82.3
478.28940	2.9
491.30075	12.6
501.28207	1.6
509.31152	6.3
541.33374	2.0
567.28986	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	754.474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.4
55.05514	27.1
57.03439	11.8
57.07062	3.1
65.03946	5.8
67.05505	67.3
69.07088	20.1
70.62424	5.7
70.62779	4.6
71.92268	2.7
79.05500	97.2
79.95000	2.8
81.03429	10.5
81.07065	67.6
83.04983	13.8
83.08624	11.8
85.02897	3.4
85.06551	4.8
91.05486	100.0
93.07050	99.7
95.04990	21.6
95.08614	35.5
97.06559	5.7
97.10138	3.4
103.05470	6.7
105.07043	81.8
107.04960	9.8
107.08604	31.0
109.06537	6.8
109.10158	14.6
111.08069	5.7
114.42205	2.7
115.05527	3.6
117.07011	23.3
119.08587	63.9
121.06480	3.7
121.10159	22.1
123.08091	7.0
128.06267	4.2
129.07005	21.5
131.08562	26.1
133.10139	42.7
135.10768	3.1
135.11687	15.8
143.08559	17.4
145.10132	25.7
147.08113	3.9
147.11696	62.8
149.09607	4.7
149.13248	6.6
157.10144	8.6
159.11737	18.4
161.13264	34.2
171.11703	29.8
173.13303	15.5
175.11235	4.0
175.14803	17.4
177.12834	3.7
183.11713	4.0
185.13303	8.1
189.12779	9.9
199.14856	4.6
207.13811	18.5
231.21078	5.5
241.19557	30.7
259.20596	59.6
279.15964	22.5
281.17493	73.4
283.19006	3.3
297.16879	2.9
315.23300	7.0
333.24310	50.9
447.32672	8.9
465.33603	8.9
521.36517	5.4
539.37354	83.4
540.37653	3.7
557.38745	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	754.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.9
55.01878	4.8
55.05505	11.2
56.05042	3.6
57.03440	6.1
58.06606	75.9
59.04985	6.1
61.02931	14.1
62.32526	2.4
63.12489	3.2
67.05506	37.0
68.05045	5.8
69.03430	10.5
69.05795	2.8
69.07063	9.6
70.06598	40.9
71.04994	8.4
71.55815	3.0
72.04524	100.0
73.02921	8.4
74.06071	3.5
76.05958	2.6
79.05497	20.7
81.03426	26.9
81.07061	30.3
82.06588	7.4
83.04984	4.9
83.08627	8.2
84.04517	8.0
84.08141	20.9
85.02919	18.3
85.06551	4.7
86.05587	5.3
86.06075	72.1
87.04473	3.3
88.07652	3.3
91.03944	8.6
91.05491	21.8
93.07057	25.4
94.06573	6.8
95.04964	11.3
95.08620	18.4
96.08135	4.4
97.02906	16.5
97.06530	3.8
97.10186	4.0
98.06078	3.3
98.09697	6.3
99.04445	6.6
105.07036	15.0
106.06542	2.9
107.04990	5.0
107.08582	10.8
109.06516	4.3
109.10178	17.8
114.05542	4.2
116.06345	4.5
116.07103	55.0
117.06995	3.8
119.08590	15.5
121.06545	6.1
121.10149	18.8
122.09634	2.8
123.08068	3.7
123.11736	3.5
125.09638	3.8
127.03925	5.4
128.10748	3.8
129.07022	4.5
131.08595	6.3
133.10129	7.3
135.11696	4.7
137.05997	4.8
137.09605	3.4
145.02881	2.8
145.10112	4.1
147.04443	3.1
147.11674	6.5
149.09607	5.8
152.14409	3.4
153.17354	2.8
155.10660	3.1
157.10146	5.8
163.11182	4.3
168.13872	11.0
173.11798	5.5
177.05530	4.1
180.13840	3.9
193.12265	8.2
196.13326	11.7
196.16949	6.9
198.14903	40.7
210.99684	3.6
212.16495	3.4
216.15955	3.8
224.16550	12.6
229.14374	12.8
240.16077	4.6
242.17499	4.0
254.17522	3.3
267.15939	26.8
270.17035	8.7
272.18622	9.2
288.18097	3.5
290.19608	4.7
298.20364	3.2
421.26093	4.5
426.28409	5.0
444.29471	10.1
452.30093	10.8
462.28253	7.6
470.31290	15.5
480.29681	12.2
481.30246	6.3
482.30948	3.7
498.30374	11.0
524.32135	7.3
530.33337	30.8
542.33289	26.7
556.34540	5.2
574.36298	4.7
614.34912	3.5
627.52979	2.9
632.36487	24.3
660.35858	10.6
668.36615	3.0
692.38110	5.6
704.28485	3.5
704.38782	42.2
736.41473	29.7
754.39777	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	754.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.8
55.01862	5.3
55.05275	2.4
55.05518	37.9
57.03442	17.8
57.07091	14.8
59.04995	2.2
61.02934	9.6
65.03931	5.8
67.05509	100.0
67.84538	2.0
69.03420	9.0
69.07067	22.6
71.05021	4.2
71.08617	8.1
73.02914	3.1
79.05499	61.1
81.03001	2.3
81.03416	15.4
81.07062	74.4
83.04988	9.6
83.08621	16.7
85.02906	14.2
85.06538	4.5
85.10167	2.5
86.09723	3.9
87.04439	1.9
87.27386	2.1
91.03984	2.8
91.05489	36.0
93.06483	2.8
93.07056	55.2
95.04981	19.3
95.08613	51.0
97.02897	5.3
97.06513	4.2
97.10167	16.2
103.05486	2.7
105.07041	26.1
107.04952	6.5
107.08603	32.7
109.06513	4.4
109.10159	44.3
111.08145	4.7
117.07029	17.3
119.08571	13.0
121.06531	5.3
121.10168	22.2
123.08102	3.6
123.11722	4.6
125.09644	12.7
125.10462	2.0
129.06992	5.7
131.08572	20.3
133.10126	13.1
135.08086	4.9
135.11696	14.0
137.09610	4.0
143.08568	4.5
145.10193	11.1
147.11697	6.6
149.09724	2.0
149.13228	6.3
155.10777	2.3
157.10098	4.3
159.11751	11.0
159.12892	1.9
161.13261	4.7
163.11220	2.9
163.14819	3.2
169.10141	2.5
173.11754	6.8
173.13269	6.1
175.32339	2.1
183.11858	2.3
184.07288	10.7
187.11227	3.5
189.11237	5.8
189.12778	2.1
199.13252	3.5
205.12299	4.4
223.13295	39.0
227.12788	10.2
229.14360	18.2
239.23656	2.0
261.22247	12.9
279.15881	2.2
283.15424	2.4
297.16992	69.6
301.16470	7.4
313.27463	30.4
317.24594	3.5
329.24820	2.4
335.25833	74.5
455.37280	3.5
467.37354	8.3
483.34720	2.5
489.35797	22.7
539.38531	6.6
557.38306	46.4
588.27026	2.0
754.48016	3.1
755.44830	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	753.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.3
55.01866	11.9
55.05518	42.0
57.03443	20.1
57.07058	2.7
59.04984	3.1
61.02924	3.5
65.03931	4.0
67.05511	100.0
69.03442	25.8
69.07083	15.6
71.01347	4.7
71.05009	13.0
71.55443	3.1
79.05500	45.7
81.03426	93.9
81.07065	56.4
83.04992	21.5
83.08623	25.6
85.02916	44.0
85.06547	5.2
87.04443	4.5
91.05492	36.5
92.42336	2.7
93.07053	30.1
95.04987	30.6
95.08611	15.9
97.02905	23.3
97.06532	12.3
97.10185	13.9
99.04449	7.3
105.07032	17.5
107.04975	14.2
107.08578	18.6
109.02896	19.0
109.06519	11.3
109.10173	60.8
111.04448	12.6
111.08089	13.0
113.06046	4.3
114.78500	2.8
117.07036	8.6
119.08590	24.6
121.06501	5.7
121.10156	13.9
123.04453	7.2
123.08132	4.1
125.09634	20.0
127.03931	13.4
129.05525	4.1
129.07005	12.3
131.08578	12.9
133.06442	7.2
133.10144	10.9
135.08069	5.0
135.11688	6.1
137.09610	4.3
139.03947	4.3
145.06522	3.4
145.10127	7.4
147.07967	5.7
147.11685	14.9
149.09647	8.9
153.12762	6.0
155.10695	3.9
157.08853	3.2
157.10121	15.9
161.09654	3.8
163.11188	9.7
165.12827	5.7
171.11687	3.6
173.04497	12.3
173.09727	3.1
173.11789	12.8
173.13063	3.2
175.11198	12.5
183.06497	3.0
189.11217	4.7
189.12775	6.8
191.10733	8.0
193.12273	36.6
199.13263	4.0
209.11780	7.9
211.06145	5.0
211.13339	40.9
213.03398	2.5
217.12332	4.3
227.10773	2.6
227.12833	12.8
229.14365	33.0
230.14594	3.1
235.13333	9.3
267.15924	14.5
273.18481	6.6
274.18811	3.3
277.14297	3.0
283.15503	4.4
285.17020	8.9
291.19662	7.0
309.17038	13.3
355.17569	2.7
421.25558	4.3
430.55447	3.3
439.26974	46.7
520.33508	3.8
538.30139	3.9
556.30804	6.6
753.40570	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	753.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88753	1.8
56.96297	3.2
56.96569	43.0
61.32764	1.5
68.32905	1.5
71.54868	3.5
74.97617	3.3
84.96036	22.8
89.03915	4.6
91.05489	3.7
98.97589	100.0
110.97574	39.3
112.60446	1.7
112.99137	2.8
116.98634	41.0
117.03390	4.4
119.04956	5.9
124.99139	4.2
127.00667	3.0
127.03931	1.9
128.98625	32.7
131.00191	2.7
134.99658	8.4
135.04416	7.4
140.98630	12.7
143.00154	25.4
144.98126	1.9
145.01738	1.8
145.02876	4.6
146.99669	15.0
147.04395	24.6
148.04781	3.2
152.98602	6.4
155.00192	1.9
158.99664	38.4
161.01236	18.5
162.99135	1.8
163.03917	39.5
164.04311	4.6
170.99680	37.9
173.01213	3.3
174.99222	2.9
177.00732	21.7
177.05515	3.0
182.99667	25.3
185.01285	7.0
189.00725	30.7
191.00159	2.0
193.00186	4.0
193.01796	3.9
200.98911	2.2
201.00717	62.5
203.02284	4.4
206.99786	2.4
207.01819	2.7
209.01251	3.2
211.02802	3.7
213.00719	5.1
214.90958	1.5
218.99693	13.2
219.01814	57.9
221.03030	2.2
223.02823	2.6
225.00804	1.9
227.02330	2.2
231.01790	5.4
233.01300	2.6
237.00728	50.2
237.02917	21.1
243.01790	21.6
248.99150	3.4
249.04611	2.6
251.02325	4.6
255.01776	83.1
260.98550	3.1
261.02823	77.3
267.00107	8.2
269.03336	3.9
273.02841	66.5
277.00095	5.8
277.03787	2.6
277.06760	1.7
278.03583	2.4
279.04050	31.8
285.01428	3.0
291.00293	4.8
291.03897	13.5
297.02762	26.3
305.03326	7.8
309.01199	8.7
309.04745	2.1
315.03922	2.7
321.01706	1.9
321.04993	30.0
323.04565	2.8
327.03934	3.2
333.04959	3.8
337.02341	2.6
339.03870	2.2
351.06149	8.1
363.04022	2.6
365.01828	5.0
369.04990	1.8
381.06702	8.1
383.02808	6.2
393.03561	10.1
397.04190	1.8
399.05621	15.5
411.04691	16.2
423.07803	3.4
429.03458	19.9
453.03433	7.0
455.07123	6.6
457.08118	2.0
471.04126	4.4
483.04489	5.4
513.05377	2.6
537.05060	2.1
555.06665	25.2
561.11249	58.8
562.12335	2.1
573.09277	62.8
574.08936	2.1
735.12744	23.8
736.13068	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	752.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
55.05517	11.1
57.03440	13.4
57.07080	32.5
65.03954	1.5
67.05509	18.6
69.03427	2.6
69.07077	9.7
71.08640	19.2
75.87498	1.0
79.05495	9.9
81.03424	52.9
81.07064	20.3
82.06578	1.7
83.04980	2.4
83.08630	19.8
85.02904	1.8
85.10188	11.2
89.06027	1.1
91.05486	12.4
93.07041	9.7
94.06572	3.9
95.04975	16.2
95.08613	20.0
97.02891	1.4
97.06522	2.4
97.10184	6.2
98.21575	1.8
105.07027	7.4
107.04948	3.3
107.08614	5.1
109.02892	1.5
109.06523	2.7
109.10163	8.8
111.04452	1.1
111.08086	3.8
119.08585	8.5
121.06497	1.9
121.10146	6.0
123.11691	2.6
129.07014	7.6
131.08607	6.1
133.06487	2.0
133.10133	2.6
135.11725	1.8
137.13226	1.0
142.07742	1.6
147.11682	4.5
149.09668	2.7
157.10211	7.1
163.11188	1.4
165.12749	1.2
175.11214	4.0
188.03952	1.1
193.12260	21.8
211.13370	1.8
229.16649	1.5
239.23808	1.5
257.24762	2.0
262.25311	18.2
265.61691	1.2
267.15930	98.9
268.16199	2.1
301.14410	1.7
309.16776	1.6
313.27386	100.0
314.27844	3.1
335.25784	1.5
505.38910	81.6
506.39182	4.7
532.51147	1.3
547.40161	2.2
555.40546	2.9
572.53973	4.0
601.40802	1.7
690.34668	1.2
752.45984	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	752.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01878	1.5
55.05513	7.1
57.03442	15.1
57.07079	32.4
61.02914	0.8
65.03916	0.9
67.05508	15.5
69.03418	1.9
69.07060	7.0
69.18613	6.9
71.04986	1.4
71.08631	22.6
73.02885	0.7
79.05490	8.6
79.58984	0.7
80.67883	0.8
81.03423	65.9
81.07061	17.1
83.04979	2.6
83.08625	19.1
85.02908	0.8
85.06532	1.1
85.10186	12.6
88.05013	0.7
89.06037	1.5
91.05492	11.9
93.07049	6.6
95.04977	20.0
95.08055	1.5
95.08612	17.3
97.02892	2.1
97.06586	0.9
97.10193	4.8
98.20789	1.7
99.53378	0.8
103.07535	0.9
105.07034	9.4
107.04974	3.9
107.08588	2.7
109.06512	2.3
109.10164	8.4
111.04395	1.0
111.08067	5.0
119.08588	9.2
121.06522	2.1
121.10134	2.9
123.04438	1.6
123.08073	1.2
123.11707	3.2
126.82298	0.9
127.02491	0.8
129.07005	7.3
131.08582	5.8
133.06490	2.1
133.10135	3.3
135.11650	0.9
137.09656	1.3
137.13289	1.0
142.07782	1.7
145.10118	1.0
147.08073	2.4
147.11671	5.3
149.09621	2.7
157.10147	6.7
163.11188	1.6
165.12817	0.8
175.11176	7.8
193.12250	24.8
205.12299	1.1
211.13283	1.8
235.13304	1.1
239.23676	1.1
249.14920	1.8
257.24783	2.3
267.15927	100.0
268.16245	2.5
271.78445	0.7
301.14365	1.1
309.17026	1.5
313.27374	91.5
314.27682	2.4
352.93460	0.9
451.62976	1.0
505.38922	77.4
506.39313	3.4
547.39642	2.9
613.40973	1.0
631.42480	1.1
643.57190	0.9
663.84869	0.9
697.26086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.7
55.01871	10.9
55.05518	12.9
57.03435	2.5
65.03953	1.6
67.05177	2.2
67.05507	27.0
69.03435	1.7
69.06794	1.3
69.07070	16.6
69.92576	5.9
70.18990	1.1
71.04997	2.1
74.96809	1.3
77.03959	1.2
79.05499	36.6
80.97453	1.1
81.03429	7.1
81.07062	34.3
83.04977	7.7
83.08607	4.8
84.78712	1.4
85.02909	1.5
91.05486	43.5
93.07047	32.0
95.01312	4.7
95.04984	10.8
95.08046	2.3
95.08602	21.8
95.64983	1.2
97.02850	1.8
97.06534	24.1
97.10178	2.4
100.56892	1.4
105.04514	1.3
105.07034	50.8
107.04963	11.3
107.08601	15.9
109.06522	4.0
109.10161	6.1
111.08082	1.7
115.14020	1.2
117.07003	8.5
119.08588	29.2
121.06525	2.7
121.10140	4.5
123.04442	1.3
123.08057	3.6
129.07025	5.9
131.08580	12.2
133.10146	20.8
135.08054	2.5
135.11674	3.7
137.09639	2.4
139.07545	1.3
141.06947	1.9
143.08560	3.6
145.06351	1.1
145.10141	12.9
147.11693	20.2
149.09625	5.2
151.11130	2.7
157.10060	2.2
159.11670	5.6
161.09625	2.1
161.13293	5.6
163.11232	3.8
165.09117	2.3
171.11685	9.3
173.13252	1.7
177.12674	1.8
179.14319	7.4
183.11703	2.2
187.11256	2.5
189.12733	3.5
207.13849	6.5
257.18866	2.4
259.20667	1.5
263.16473	1.5
275.20081	50.1
279.16006	4.2
281.17493	35.8
293.21014	3.4
349.23734	19.6
349.27667	2.2
397.50372	1.3
434.62799	1.2
471.19034	1.4
537.35565	2.4
555.36841	100.0
556.37360	6.5
752.42395	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	750.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.5
55.05514	21.5
57.03440	12.7
57.07072	10.2
61.02923	2.9
67.05506	30.2
67.63066	1.8
69.03419	3.1
69.07073	23.6
71.04991	2.0
71.08619	4.7
73.02878	2.2
79.05489	15.4
81.03422	64.9
81.07063	28.3
82.30704	2.1
83.04987	5.4
83.08218	2.1
83.08627	27.1
85.02946	4.3
85.06545	2.2
87.04471	13.0
87.10751	1.8
91.03932	2.1
91.05478	16.3
93.07042	18.7
95.04977	17.3
95.08611	21.6
97.02869	4.9
97.06511	6.8
97.10155	7.2
99.08059	2.4
105.07020	11.6
107.04958	4.1
107.08575	8.7
109.06516	3.2
109.10173	10.1
111.08085	7.3
111.11671	2.2
119.08560	7.2
121.06506	3.2
121.10161	18.0
123.08088	3.3
123.11716	4.1
125.09620	3.2
129.07019	5.7
131.08575	5.6
133.06508	4.0
133.10110	5.8
135.11710	8.1
137.13251	2.7
147.08028	5.4
147.11681	6.6
149.09610	2.5
149.13295	2.5
157.10120	7.5
163.14833	2.6
175.11174	7.2
184.07326	7.5
193.12262	21.3
209.11693	3.5
211.13210	2.4
228.49382	1.9
267.15924	100.0
268.11752	1.8
268.16306	3.5
283.15588	3.1
301.16461	4.1
311.25806	85.1
312.26190	3.9
313.27237	8.6
429.34180	2.5
481.50870	2.0
503.37375	74.2
504.37836	2.2
521.38409	10.6
532.12158	2.0
539.39026	3.5
545.38116	3.0
595.97485	1.9
660.28314	2.0
750.44727	34.2
751.43628	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	750.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.01869	3.0
55.05265	1.9
55.05512	23.4
57.03193	1.3
57.03437	13.6
57.07084	11.8
61.02921	1.7
67.05506	28.4
69.03429	3.9
69.06733	1.5
69.07076	25.2
69.66817	1.1
71.04990	5.0
71.08632	6.5
71.55132	2.0
73.02912	1.2
78.53194	1.4
79.05496	21.8
79.05921	2.6
81.03420	68.3
81.07059	33.7
83.04970	6.1
83.08620	30.1
85.02900	2.5
85.06540	2.3
85.10168	2.5
87.04475	6.2
91.05493	16.5
93.07040	18.6
95.04969	20.3
95.08607	20.7
96.08952	1.5
97.02912	2.6
97.06533	5.8
97.10155	11.1
105.07027	12.8
107.04939	7.0
107.08600	11.1
107.51146	1.3
109.06515	2.3
109.10164	7.5
111.04462	1.9
111.08081	5.9
111.11729	2.5
117.07012	2.6
119.08571	10.7
121.06541	2.0
121.10146	17.2
121.44321	1.5
123.08072	3.0
123.11709	3.4
125.09590	2.4
129.06989	6.1
131.08600	7.9
133.06509	1.6
133.10130	3.8
135.11679	8.5
137.09654	1.6
137.13243	1.7
142.07803	2.1
145.10178	2.7
147.08061	3.0
147.11676	6.9
149.09618	5.2
149.13278	3.4
150.80569	1.2
157.10127	8.2
163.11174	1.9
163.14777	1.6
165.12816	2.5
175.11172	8.4
184.07355	3.1
191.10670	1.7
193.12251	20.8
209.11786	1.9
219.21074	2.1
237.22279	1.9
249.14896	1.4
267.15930	100.0
268.16171	3.0
283.15439	3.0
301.16580	3.2
311.25812	85.4
312.26096	1.8
313.27420	6.2
429.33688	3.2
470.20917	2.3
503.37335	70.5
504.37476	3.6
521.38367	11.4
539.39355	2.5
545.38171	3.1
747.63538	1.4
750.44775	37.8
751.17780	1.3
751.44141	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
54.14935	0.2
55.01880	0.4
55.05517	1.2
57.03443	2.2
58.13183	0.3
61.02933	6.7
65.03931	0.4
67.05511	7.6
69.03085	0.3
69.03441	4.5
69.07085	1.6
69.19339	1.1
69.19759	1.7
71.01362	0.7
71.05003	2.6
73.02929	4.5
79.05499	4.7
81.03428	2.4
81.07069	5.6
82.33504	0.3
83.04972	0.9
83.08640	1.0
85.02916	6.5
87.04485	0.8
91.03964	3.8
91.05481	2.8
93.07056	5.0
95.04977	0.8
95.08620	4.7
95.09177	0.5
97.02898	6.0
97.06550	0.4
98.21454	0.7
99.04472	1.1
101.02389	2.1
103.03970	0.5
105.07059	1.6
107.08600	2.0
109.02879	1.1
109.06549	0.3
109.10168	4.1
111.08096	0.3
115.03935	0.4
117.07030	0.5
119.08599	1.6
121.10154	2.3
123.11737	0.3
127.03953	1.9
130.28531	0.3
131.08568	0.7
133.10164	0.5
135.11690	2.0
137.09651	1.1
145.10167	0.7
147.11754	0.4
149.13269	0.4
159.11702	0.4
161.13361	0.4
185.04298	0.9
203.05334	0.4
203.55818	0.3
224.65135	0.3
243.08441	1.9
243.15985	0.3
253.14114	1.8
267.16113	0.3
313.27554	0.5
335.25900	1.0
471.22043	4.4
519.29370	8.9
520.29297	0.3
749.44519	100.0
750.44818	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	748.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.01868	4.3
64.51690	1.0
65.03942	5.4
67.05496	3.1
68.99812	1.3
69.03429	2.3
69.07075	1.8
69.58370	7.9
69.69080	1.1
71.04997	1.3
75.04490	2.6
78.04710	2.9
79.05504	8.1
81.03434	3.1
81.07040	3.5
82.04194	1.2
85.02906	7.3
89.03954	1.3
91.05485	12.0
93.03415	8.9
93.07051	5.5
95.04971	6.7
97.02927	1.5
97.06543	3.2
103.05468	20.4
105.03340	1.4
105.04568	1.9
105.07038	10.9
106.04181	14.6
107.04950	10.3
107.08617	2.4
109.06522	1.4
111.04476	1.9
115.05473	5.5
117.07036	4.3
118.04172	5.8
119.04945	3.6
119.08569	3.3
121.06520	20.4
121.10157	1.3
123.04463	6.9
124.03959	2.9
124.05223	2.3
125.05984	9.2
125.09671	1.3
127.03932	1.3
129.06998	2.8
130.04134	1.5
131.04939	22.0
131.08543	1.7
132.05714	2.4
133.06511	11.0
134.03647	4.6
135.04427	2.5
135.08076	2.6
137.05980	10.1
138.03221	1.3
139.07562	2.3
141.06900	1.5
142.02605	1.4
143.04994	2.4
144.05695	2.9
145.02861	1.5
145.06448	5.9
146.03647	1.8
146.07338	1.5
147.04443	3.8
147.08023	2.9
148.05188	13.1
149.06001	26.9
149.13223	1.6
151.03908	3.8
151.07503	1.6
152.04691	1.6
153.05498	4.2
153.09122	9.0
159.04391	1.5
159.08063	2.0
160.05176	1.3
161.05992	11.9
161.74916	1.3
163.03955	3.3
163.07558	22.3
165.05464	1.4
167.07053	60.5
168.07364	1.1
171.06596	1.9
173.06003	7.1
174.06766	1.4
175.07555	3.7
176.04684	3.2
177.03934	1.0
177.05475	22.0
177.06902	2.0
181.04970	81.1
181.08540	15.3
187.07552	3.5
189.09142	2.2
190.06268	1.5
191.07036	100.0
192.07635	2.7
193.08580	2.5
195.06558	4.2
201.05479	2.5
201.09221	1.4
203.07080	2.4
205.08658	4.8
207.06520	2.8
209.08102	94.2
210.08539	2.4
217.08533	1.6
219.10236	6.9
223.04279	15.7
231.06526	1.4
233.08139	5.0
235.07645	2.0
235.09663	6.0
237.09079	1.3
245.08170	2.3
263.09161	25.0
263.11984	1.3
267.10123	3.2
295.09882	1.7
297.11298	1.9
306.08795	1.2
307.09644	1.5
312.09018	2.7
325.10828	4.5
337.10916	1.6
339.12213	1.4
355.11591	1.6
357.13351	6.7
357.96060	1.4
359.14896	1.9
361.22247	3.4
367.11658	3.4
381.13129	1.5
385.12802	13.0
387.14203	1.7
399.14465	2.6
417.15533	14.8
446.16220	1.2
554.84845	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01862	2.8
56.67690	0.7
57.03418	0.9
64.47601	0.6
65.03941	5.6
66.04733	0.7
67.05498	1.7
67.51572	0.7
69.03426	1.6
70.94056	1.6
75.04475	2.0
77.03935	0.7
78.04703	2.6
79.05498	5.8
81.03410	2.7
81.07033	1.3
82.04212	2.0
85.02911	6.0
89.03898	1.2
91.05479	10.7
92.57364	0.7
93.03412	9.3
93.07059	3.8
93.07561	0.6
94.04176	1.0
94.42307	0.8
95.04965	5.5
95.08640	0.8
97.02914	0.9
97.06548	3.4
98.97623	0.9
102.04662	0.9
103.05469	21.8
105.03397	1.5
105.04523	1.2
105.07035	8.4
106.04176	14.6
107.04960	11.2
109.02802	0.9
109.06508	1.8
110.03643	2.8
111.04464	1.3
115.00443	0.7
115.05443	6.9
116.06239	0.9
117.07030	4.0
118.04166	4.3
119.04934	2.1
119.08601	0.8
121.06510	17.1
122.03685	1.0
123.04456	4.8
124.05226	2.8
125.06002	7.4
129.06992	1.5
130.04144	1.5
131.04941	22.4
131.08611	1.2
132.05688	1.5
133.02893	2.1
133.06500	7.6
134.03665	3.7
135.02675	1.0
135.04430	2.0
135.08034	2.1
137.05989	5.4
138.03137	1.5
139.07526	2.1
141.06895	1.0
142.02596	2.0
143.04900	1.2
144.05754	1.0
145.02866	1.5
145.06471	5.1
146.03596	1.7
147.04427	1.7
147.08051	2.2
148.05188	14.1
149.05989	28.0
150.06389	0.8
151.02237	1.0
151.03886	3.1
151.07521	2.6
152.04698	1.5
153.05478	4.5
153.09111	7.3
155.06001	1.3
157.06487	1.3
158.07263	1.0
159.04442	1.4
159.08055	1.7
159.60298	0.8
160.05165	1.6
161.05981	10.5
162.01361	1.7
162.06833	1.0
163.02322	0.8
163.03894	3.3
163.07565	22.9
164.07889	0.9
165.05470	1.8
165.09071	1.2
166.02649	0.9
167.07048	62.5
171.04393	0.8
171.06544	2.2
173.06006	5.9
174.06767	1.2
175.07579	3.9
176.04688	2.6
177.03853	0.9
177.05469	17.5
177.09094	0.9
178.06111	1.0
179.01660	0.9
179.07047	1.6
179.08623	0.8
181.04965	79.3
181.08539	16.6
182.05292	1.6
187.07561	3.1
189.05518	1.2
190.00798	0.9
190.06277	1.2
191.07036	100.0
192.07619	2.9
193.05020	1.6
193.08604	3.6
195.05013	0.7
195.06491	4.4
197.06160	0.7
201.05473	1.6
203.06987	2.9
205.06778	1.2
205.08511	3.3
207.06509	2.0
207.10223	2.3
207.47197	0.7
208.01929	1.1
209.08096	86.1
210.08453	1.6
217.08672	2.0
219.06404	1.1
219.08293	1.2
219.10149	5.9
221.07979	1.9
223.04237	18.8
225.07518	1.2
229.08600	1.0
231.06421	1.0
233.08093	5.2
235.07558	1.4
235.09654	6.8
237.09076	1.0
241.08623	0.7
245.08109	2.2
247.07492	0.9
249.09023	0.7
252.07932	1.3
257.08087	0.8
261.11353	0.8
263.09171	23.7
265.08670	1.2
267.10211	3.8
269.11932	0.8
279.10208	1.2
281.08258	0.9
291.06613	0.9
295.09576	2.0
297.11334	1.7
307.09778	1.3
311.12704	0.9
312.08954	2.5
325.10654	4.8
329.13943	0.8
330.09927	0.8
331.11832	1.5
337.10660	1.2
339.12100	1.2
353.10074	2.0
355.11722	1.1
357.13229	7.0
360.63812	0.8
367.11813	2.5
369.13312	1.2
381.13211	1.0
385.12878	14.2
387.14157	1.7
399.14291	3.9
417.15451	14.0
486.79050	0.7
495.18704	0.8
534.79315	0.8
577.20917	1.2
588.17145	0.8
609.22882	1.2
627.11127	0.8
720.28607	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.05512	2.2
57.03435	2.4
61.02932	7.2
65.03937	0.6
67.05513	6.9
67.99929	0.6
69.03436	4.0
69.07075	3.1
69.33952	6.0
71.01353	0.8
73.02933	5.3
74.40521	0.6
79.05515	5.3
81.03415	3.5
81.07062	7.7
83.08629	1.1
85.02900	6.3
86.09724	1.1
91.03954	3.7
91.05489	6.0
91.36925	0.6
93.07048	5.8
95.04946	0.9
95.08620	5.2
97.02901	5.6
97.10169	0.7
98.20789	1.2
101.02407	1.8
105.04522	0.7
105.07063	2.8
107.08611	2.8
109.02893	1.9
109.10172	2.6
119.04964	2.2
119.08609	2.1
121.10169	3.8
125.00121	0.6
127.03945	1.9
129.07034	1.0
131.04976	0.8
131.08574	1.6
131.70248	0.6
133.06415	0.7
133.10136	2.1
135.11633	1.2
135.68321	0.7
137.02318	5.9
147.04413	7.6
147.11716	1.7
149.02356	2.1
149.09612	1.6
151.03963	0.7
153.01854	1.6
157.10161	0.8
159.04395	0.9
161.02396	2.8
165.01912	1.3
167.03467	1.5
179.03465	0.9
183.02872	1.1
184.07358	3.7
185.04289	0.8
199.07516	0.8
205.05121	0.7
211.07597	1.2
215.10732	0.8
243.08472	2.2
251.12666	2.1
263.07245	2.5
269.08185	1.3
281.08096	10.9
285.07617	1.0
337.11035	1.0
363.08499	0.9
469.20407	6.5
473.12338	1.6
491.13318	0.8
519.29492	9.1
556.96893	0.8
586.49109	0.8
747.42969	100.0
748.43311	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.01859	0.5
55.05524	1.0
57.03447	2.2
61.02933	7.3
67.05511	5.7
69.03428	3.8
69.07068	1.6
71.05006	0.8
71.24433	0.7
73.02923	5.4
73.16489	0.4
79.03194	0.4
79.05495	3.4
81.03414	4.1
81.07064	5.6
83.08622	1.0
85.02915	6.8
91.03954	3.9
91.05493	2.9
93.07048	4.1
95.04961	0.8
95.08610	3.6
97.02901	6.3
97.06548	0.6
97.10140	0.5
99.04462	1.7
101.02362	2.6
105.07030	1.7
107.08576	2.1
109.02890	0.7
109.10178	1.2
118.62278	0.5
119.08617	1.3
121.10153	1.7
127.03922	1.7
131.08600	1.5
133.10114	1.2
135.11752	0.6
137.11346	0.5
141.85066	0.4
147.11725	1.0
185.04276	0.7
193.12251	0.7
243.08482	2.0
251.12703	1.5
281.30731	0.4
285.78439	0.5
317.04794	0.5
333.37524	0.4
335.26093	0.6
343.58499	0.4
386.26181	0.5
469.20325	4.0
496.34329	0.6
519.29297	8.9
519.91229	0.5
520.29218	0.6
662.24054	0.4
747.42914	100.0
748.43005	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.6
54.66917	0.6
55.05513	1.3
57.03444	2.0
60.95250	0.6
61.02931	5.0
67.05508	5.0
69.03438	3.5
69.07059	0.9
71.01371	0.7
73.02933	3.8
79.05481	2.9
81.03419	4.2
81.07065	4.9
81.22655	0.5
83.08633	0.9
84.99809	0.6
85.02908	7.2
85.96599	0.6
91.03941	3.7
91.05466	2.8
93.07061	2.9
93.18053	0.5
95.05000	1.0
95.08630	2.9
97.02892	5.2
98.20724	1.4
101.02386	3.0
103.03973	0.6
105.07059	2.2
107.04948	1.1
107.08622	1.5
109.02930	0.9
109.06553	0.6
109.10175	0.8
115.05493	0.7
119.08604	1.5
121.10158	1.6
127.03960	1.7
129.07004	0.8
131.08588	0.8
133.10149	1.6
134.39679	0.6
135.11728	0.8
136.35307	0.6
147.11739	0.9
157.10167	1.2
169.40247	0.6
193.12309	1.5
243.08421	2.5
251.12611	1.0
349.52460	0.5
469.20444	8.5
469.26373	0.9
519.29388	4.4
539.10846	0.6
656.07208	0.7
747.42944	100.0
748.43463	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	747.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.05513	2.2
57.03428	2.3
61.02930	5.1
67.05508	6.4
69.03435	3.7
69.07063	2.0
71.05003	0.8
71.54870	0.6
73.02940	3.8
75.98743	0.6
79.05502	5.6
81.03413	2.1
81.07065	8.3
83.08613	1.5
85.02917	5.1
86.09703	0.8
86.78735	0.6
91.03968	3.7
91.05489	5.1
93.07056	7.2
95.04945	0.9
95.08613	4.6
96.08983	0.7
97.02905	4.4
99.04473	0.6
101.02394	1.8
105.07038	3.2
107.08604	4.4
109.02935	0.9
109.10175	1.8
109.69265	0.6
110.10529	0.5
117.07079	1.2
119.08614	2.3
121.10171	2.3
123.08033	0.6
127.03942	1.9
131.08606	1.6
133.10136	3.6
135.11710	1.9
147.04437	0.9
147.11711	1.6
149.02435	0.6
149.13347	1.3
159.11748	0.8
172.32568	0.6
177.12767	0.7
184.07387	2.4
185.04320	1.1
195.13806	1.2
215.10812	0.8
230.98355	0.5
235.13112	1.3
243.08452	2.7
269.17554	0.7
272.15549	0.8
281.08340	0.5
289.16544	0.9
301.09094	1.4
315.10403	0.7
335.25864	1.7
336.26294	1.3
453.20969	8.6
525.23413	1.2
532.37225	0.7
535.28973	5.1
747.42957	100.0
748.43231	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	747.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.3
55.05513	0.9
57.03452	1.3
61.02940	4.2
67.05513	5.3
69.03446	2.9
69.07072	3.0
69.24807	3.5
69.25231	2.4
73.02904	3.3
79.05505	4.1
81.03433	1.6
81.07062	5.8
83.08618	1.3
83.55366	0.6
85.02906	4.8
86.09707	1.4
91.03947	2.9
91.05481	4.4
93.07068	5.6
95.04981	0.6
95.08607	3.2
97.02924	3.5
97.04462	0.7
101.02402	1.6
105.07043	3.5
107.08610	2.8
109.10193	0.9
111.30931	0.6
117.07030	0.9
119.04970	1.4
119.08617	1.8
119.81951	0.6
121.10141	3.0
125.00043	1.1
127.03929	0.9
127.55077	0.7
130.61232	0.6
131.08540	1.0
133.10161	2.0
137.02379	1.8
145.10236	0.7
147.04424	4.0
147.11717	1.0
149.02390	1.2
149.13268	1.5
153.01831	0.9
159.11707	0.9
162.90305	0.6
164.20157	0.6
167.03473	1.1
177.01913	1.8
177.12848	0.9
184.07343	4.2
185.04240	0.8
187.61073	0.7
223.33470	0.5
235.13232	0.9
243.08540	1.9
244.09138	0.7
281.08026	4.4
301.09149	2.0
301.50427	0.7
359.70581	0.6
385.18277	0.8
443.18994	1.0
443.47491	0.7
453.20966	7.8
469.20285	0.7
525.23114	1.7
535.28821	4.4
537.20721	0.7
693.12238	0.7
747.42969	100.0
748.43292	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	747.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01881	0.4
55.05508	1.2
57.03430	1.6
58.14996	0.3
61.02938	4.7
66.15371	0.4
67.05514	3.7
69.03438	2.6
69.07067	0.8
70.09438	1.4
71.04993	0.5
73.02927	3.4
79.05502	2.8
81.03419	1.3
81.07064	6.1
83.08634	0.7
85.02923	4.7
86.09684	0.4
91.03980	1.8
91.05507	2.3
93.07056	2.2
95.04991	0.5
95.08624	2.8
97.02905	3.8
99.04494	0.6
101.02364	1.8
103.03944	0.4
105.07052	2.0
107.08606	1.6
109.02894	0.8
109.10160	1.0
119.08604	1.6
121.10166	2.1
123.08067	0.5
123.11739	1.6
125.43817	0.3
127.03909	1.3
131.08571	0.5
133.10138	0.5
145.10191	0.4
145.43927	0.4
147.11707	2.8
149.13390	0.4
150.89296	0.4
165.12761	0.8
184.07381	0.8
185.04306	0.8
203.05325	0.7
224.38054	0.4
243.08513	1.3
251.12730	0.8
269.12616	0.8
281.36066	0.4
293.84406	0.4
297.50375	0.4
350.90430	0.4
425.21661	0.6
428.58154	0.4
469.20462	9.1
509.89639	0.4
513.86365	0.4
519.29486	3.6
539.22986	0.4
653.60925	0.4
747.42957	100.0
748.43335	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	747.408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72182	1.3
61.36192	1.2
67.05499	2.1
81.07079	1.5
91.05474	1.4
93.07033	1.2
134.40633	1.1
150.60236	1.1
171.17622	1.2
182.74341	1.1
190.37946	1.3
229.08078	1.3
230.20401	1.1
325.15479	1.3
549.23651	1.2
606.50421	1.3
606.67249	1.3
747.40967	100.0
748.40747	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	747.3776
Annotation	Pandicine
Peak:m/z	Relative Intensity
53.03939	0.5
55.05515	1.0
57.01056	0.4
57.03438	1.3
60.31081	0.4
61.02930	4.8
61.31129	0.4
67.05508	3.1
68.09133	0.4
69.03435	2.9
69.07071	1.3
70.84978	1.0
71.01351	0.7
71.05001	1.2
73.02924	2.7
79.05498	3.6
81.03423	5.6
81.07063	3.0
83.08647	1.5
85.02918	4.7
87.04489	1.0
91.03960	2.5
91.05486	3.1
93.07050	3.1
95.04972	2.2
95.08623	1.7
97.02894	3.9
97.06532	1.3
99.04463	0.9
101.02364	2.0
103.03955	0.5
103.49257	0.4
105.07027	2.2
107.04972	0.7
107.08614	1.7
109.02904	1.1
109.06599	0.5
111.08110	1.0
113.06004	0.4
113.65125	0.5
113.66077	0.4
115.03935	0.5
119.08601	1.8
121.06499	0.5
121.10156	3.0
123.08086	0.6
127.03945	1.1
129.07057	1.3
131.08615	2.0
133.10155	1.4
139.11214	1.0
145.05005	0.5
145.10159	0.4
147.11743	2.2
149.09644	2.6
157.10191	1.6
165.12910	0.4
167.10762	0.5
175.11247	1.8
185.04305	0.6
193.12321	1.8
197.15454	0.9
211.13322	0.7
225.14975	0.5
243.08479	3.1
251.12653	0.4
267.15991	1.1
267.67731	0.5
269.13632	1.0
281.13779	0.5
283.10257	0.5
283.15228	4.1
293.49866	0.5
339.17908	0.8
341.96146	0.4
443.18863	6.9
469.20602	2.9
487.21524	6.6
488.21841	0.6
501.23080	14.1
502.23611	0.7
657.28851	0.6
703.35327	2.0
729.36548	2.0
747.37750	100.0
748.38220	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	745.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.01897	0.4
55.05524	0.9
57.03437	1.8
57.30782	0.4
61.02926	3.4
66.69693	0.4
67.05504	4.2
69.03439	2.3
69.07077	1.0
69.71732	2.0
73.02920	2.4
79.05504	3.2
81.03438	0.9
81.07073	3.5
83.08624	0.6
85.02909	3.1
87.04538	0.4
91.03958	2.6
91.05502	1.7
93.07049	4.2
95.04955	1.0
95.08617	4.1
97.02905	3.9
99.04461	0.7
101.02390	1.3
105.07072	0.6
107.05002	0.7
107.08621	2.0
109.02921	0.9
109.10183	0.7
111.08125	0.4
117.07028	0.6
119.08602	0.9
121.10168	2.0
123.11676	0.4
127.03902	0.5
133.10083	0.7
135.11742	3.5
143.78358	0.4
145.10118	2.3
163.11203	3.8
168.57680	0.4
181.12238	0.5
185.04346	0.5
203.05309	0.5
227.12814	2.5
243.08359	2.0
249.11008	8.0
259.48840	0.4
305.13483	2.3
335.26089	0.4
467.18921	8.6
519.29291	5.1
531.98969	0.4
583.36212	0.5
745.41370	100.0
746.41785	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	745.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01899	0.4
55.05526	1.3
57.03452	1.4
61.02933	5.6
65.03930	0.3
67.05510	5.2
67.95766	0.2
69.03434	3.5
69.07080	1.5
70.89436	0.3
70.89802	0.8
71.01360	0.5
71.05006	0.7
73.02918	4.2
79.05498	3.8
81.03424	1.4
81.07064	5.1
83.04973	0.4
83.08628	1.0
85.02912	4.7
85.06562	0.2
91.03968	2.8
91.05499	1.8
93.07050	4.1
95.05009	0.5
95.08614	4.6
97.02898	5.2
97.88338	0.3
99.04471	0.8
101.02382	1.8
103.03986	0.3
105.04490	0.3
105.07036	2.0
107.08588	2.5
109.02900	0.6
109.10178	1.1
111.08136	0.3
115.03934	0.4
117.07023	0.5
119.08566	1.3
121.10136	2.3
123.11726	0.5
127.03928	1.4
131.08568	0.7
133.10136	0.5
135.11707	1.7
145.04997	0.3
145.10132	1.5
147.11774	0.4
149.13326	0.5
161.13272	0.3
163.11229	2.0
178.98604	0.2
185.04303	0.5
219.10094	0.3
227.12814	0.8
243.08415	2.2
249.10997	11.2
252.24039	0.3
305.13736	1.0
335.25833	0.7
391.16751	0.3
439.21313	0.3
462.50522	0.3
467.18936	4.5
519.29352	8.4
520.29913	0.3
564.00555	0.3
583.36334	0.3
745.41351	100.0
746.41614	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	745.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01865	1.2
55.05504	1.8
56.96560	1.0
57.03452	3.1
57.07100	0.7
59.05006	1.5
61.02922	4.8
62.15992	0.6
62.70859	0.6
65.22703	0.6
67.05509	3.3
69.03455	3.8
69.07061	2.7
71.04990	1.5
71.55615	0.9
73.02920	4.5
79.05500	4.8
81.03421	5.9
81.07059	5.0
83.08641	1.7
85.02909	6.6
85.06541	0.8
91.03957	4.4
91.05487	3.9
93.07050	2.7
95.04957	1.8
95.08639	1.8
97.02915	5.1
97.06540	1.6
97.10172	0.6
99.04458	1.4
101.02422	1.2
105.07043	2.8
107.04975	0.7
107.08600	1.4
109.02886	1.5
109.06544	0.9
109.10175	2.4
119.08592	2.0
121.10152	2.5
125.09693	0.8
127.03935	2.2
129.05484	1.1
129.07042	1.2
131.08597	1.4
133.10156	1.9
137.06071	0.7
139.03696	0.6
139.07533	0.6
145.10214	0.8
147.11694	1.6
149.09669	1.1
163.11220	0.7
165.12830	0.7
175.11212	1.2
181.04730	0.6
185.04202	3.3
193.12337	2.0
201.03676	1.2
203.05363	0.8
207.13734	0.9
243.08504	3.3
265.14221	1.2
267.09134	2.2
267.15955	1.2
283.15195	7.4
285.10089	1.5
293.13596	0.9
301.08957	9.2
309.16843	2.3
315.10544	3.1
323.18338	2.7
339.18130	1.2
341.12466	0.9
357.15305	1.1
373.11029	3.1
381.18869	4.3
383.16827	1.5
385.18378	5.7
387.12622	1.1
395.20569	1.0
399.20010	1.5
413.18073	1.8
415.15643	1.0
427.19525	5.4
429.17252	1.8
439.19446	0.7
441.20679	0.9
443.19342	1.2
451.19571	0.9
457.21008	0.7
465.28415	2.0
467.18961	1.0
469.20151	3.4
483.22107	0.9
485.19943	1.5
499.21332	3.9
501.23267	17.0
502.23523	0.8
511.28955	1.0
517.23627	0.6
521.30878	0.7
529.22546	11.7
573.25214	8.5
587.26849	1.8
601.28357	3.2
613.32202	1.8
615.29926	1.5
641.31592	9.9
643.32916	5.0
673.34674	0.9
685.33582	1.0
687.36029	2.0
699.35541	1.5
727.35144	3.6
745.35828	100.0
746.35828	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	745.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.01888	0.7
55.05515	1.8
56.96575	0.9
57.03440	1.8
59.05007	0.6
61.02934	5.1
65.03924	0.8
67.05507	5.3
69.03435	4.2
69.07058	1.4
71.04994	1.7
71.55832	0.6
73.02930	4.0
79.05505	3.2
81.03419	6.6
81.07070	4.2
83.04990	1.9
83.08610	1.0
85.02914	7.2
86.09701	0.7
91.03979	3.3
91.05473	4.8
93.07050	3.9
95.04988	2.5
95.08623	2.5
97.02898	6.4
97.06573	1.1
98.97576	0.7
99.04472	1.3
101.02397	1.9
103.03931	1.0
105.07047	2.6
107.04969	2.0
107.08624	2.1
109.02856	1.4
109.06530	0.8
109.10167	2.2
111.04482	1.6
111.08112	1.1
117.07006	0.6
119.04900	0.8
119.08619	1.9
121.06563	0.7
121.10156	3.7
123.04484	0.6
123.11687	0.6
127.03957	2.0
129.05574	0.6
129.07076	0.8
131.08618	2.1
133.10158	2.0
135.11720	1.5
137.05998	1.8
145.05013	0.7
145.10158	2.1
147.11664	1.1
149.09593	1.3
155.83371	0.5
157.10162	1.6
163.11220	1.7
167.07097	0.9
173.09616	1.0
175.11253	1.0
180.96709	0.6
181.12326	0.7
184.07433	1.6
185.04321	0.9
193.12233	2.8
203.05377	1.1
211.13454	0.7
243.08485	2.5
267.11246	0.8
267.16046	1.2
269.12448	1.4
283.15225	3.0
323.14844	1.0
356.60236	0.6
396.84067	0.6
451.19431	1.7
469.20383	1.5
473.15167	0.6
485.19971	10.7
501.23236	8.9
515.47900	0.6
583.30286	0.8
695.32245	5.7
713.33325	1.9
727.34393	1.8
745.36218	100.0
746.36841	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	745.363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05418	0.8
55.05643	0.5
57.03305	1.7
57.03623	1.0
59.04896	0.5
60.04412	0.5
61.02796	3.6
61.03144	1.7
67.05366	5.3
67.05768	1.9
67.30859	0.4
69.03284	2.6
69.06939	0.4
70.59762	1.3
71.04871	1.0
73.02772	2.7
73.03212	0.8
78.58257	0.4
79.05339	1.8
79.05850	0.7
80.61134	0.5
81.03258	3.0
81.06903	3.4
81.07415	0.6
81.14743	0.4
83.04870	0.7
83.08471	1.4
85.02746	5.8
85.03299	1.2
91.03790	2.8
91.05311	2.4
93.06872	2.3
95.04810	1.2
95.05345	0.4
95.08479	0.9
97.02717	4.4
97.03396	0.7
97.06397	0.6
97.76228	0.5
99.04307	1.0
101.02218	1.3
101.02842	0.5
105.06892	1.1
107.08485	0.6
109.02746	0.7
109.09969	5.3
111.04272	0.6
111.07940	0.7
119.08383	1.6
121.09969	0.9
127.03705	1.4
127.04527	0.5
129.06894	0.7
131.08434	0.6
133.09932	1.6
139.95569	0.4
145.04770	0.6
145.09947	0.6
147.11510	1.2
149.09488	0.8
155.10612	0.6
157.10019	0.9
169.99944	0.5
173.11507	1.7
173.12907	0.5
185.04137	0.9
193.12025	1.6
195.09796	0.8
199.68690	0.4
206.05861	0.5
211.13162	0.9
229.14160	1.7
243.08388	2.4
250.03671	0.4
251.12567	0.9
267.08841	1.0
267.15549	0.6
268.92532	0.4
269.12186	0.4
277.05237	0.4
283.14948	0.8
285.09949	0.5
301.08600	0.7
307.15213	0.7
329.14111	0.5
413.12332	0.6
413.17841	10.9
455.17432	0.5
469.20438	11.7
470.20898	0.6
479.26355	0.7
501.22964	1.7
641.31464	100.0
642.31744	4.9
673.33813	0.7
699.35522	1.3
727.34875	2.0
745.35675	19.8
746.36121	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	1.2
57.03444	0.9
61.02922	1.4
67.05499	1.6
69.03430	1.0
69.07083	0.7
71.04998	0.7
74.80003	0.4
77.00493	0.4
79.05489	1.7
81.03413	2.1
81.07055	2.1
83.04977	1.2
83.08629	0.6
85.02902	1.4
85.92637	0.4
87.21867	0.5
91.03960	0.9
91.05487	1.7
93.07066	1.3
95.04989	0.9
97.02894	1.7
97.06603	0.5
97.10178	0.5
98.20737	1.2
98.97594	0.7
105.07040	1.2
107.08592	1.1
109.02937	0.7
109.10160	0.7
111.04467	0.6
112.96775	0.5
112.99158	1.3
113.87280	0.4
117.07098	0.6
121.10168	0.7
131.00217	1.1
131.08604	0.5
147.11618	0.8
149.01250	0.6
193.12338	0.8
201.00316	0.6
230.62903	0.6
249.08089	1.3
258.44119	0.5
267.09073	10.9
267.11856	0.8
281.10660	0.8
285.10095	6.6
293.05414	0.7
309.10257	1.2
467.16226	0.6
485.16907	7.8
501.23248	1.6
533.43518	0.7
641.31287	1.4
667.32507	0.6
695.31012	1.1
713.31097	0.6
727.35211	1.0
737.06525	0.6
745.34399	100.0
746.34491	6.6
749.81360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78692	1.1
55.05519	15.5
57.03233	1.1
57.03447	12.3
57.07078	4.3
61.02930	3.5
62.89698	1.2
65.03947	2.1
67.05514	57.1
68.80096	1.3
69.03439	1.1
69.07076	23.5
69.26450	7.2
69.26871	4.7
70.40453	1.4
71.05003	4.4
79.05499	22.4
81.07066	100.0
83.04982	6.3
83.08621	13.7
85.02917	5.4
85.06555	5.5
85.07017	1.2
91.03973	1.2
91.05488	25.2
93.07051	18.9
95.04975	2.0
95.08620	45.7
97.02889	2.1
97.06549	7.5
97.10180	3.5
99.08134	2.7
105.07042	33.0
107.08600	15.3
109.06534	3.4
109.10164	12.7
111.08080	2.7
118.06496	1.4
119.08595	24.3
121.10154	19.4
123.08073	4.3
123.11718	25.6
125.09654	1.2
127.07587	1.9
131.08530	1.5
133.10149	6.2
135.11740	2.4
137.13280	2.7
144.27782	1.2
145.10162	2.2
147.11707	56.7
149.13251	2.9
157.10182	1.8
161.13234	1.4
163.14931	1.6
165.12788	17.1
175.11285	1.5
183.13846	2.0
193.12378	1.7
202.16049	1.2
229.14313	3.4
230.15393	4.1
245.22795	6.1
255.34912	1.3
263.23703	6.7
267.15948	77.3
268.16342	2.0
285.16995	82.8
286.17352	2.3
318.18857	1.5
322.20193	1.3
335.25748	2.8
337.27411	81.0
338.27756	4.1
529.38708	2.9
547.40002	69.4
548.40186	3.0
582.41614	4.9
698.67621	1.3
745.42267	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.05517	16.4
57.03449	6.7
57.07079	1.7
59.04989	3.3
61.02920	3.5
65.03937	2.1
67.05513	98.8
69.03429	2.6
69.07079	14.3
69.54463	5.4
69.54870	2.0
71.05012	19.6
73.02913	2.1
77.03932	1.4
77.36337	1.2
79.05503	37.3
81.03416	3.1
81.06587	2.2
81.07066	43.5
83.04985	3.7
83.08626	8.2
85.02891	3.4
85.06551	3.2
86.64851	1.0
91.03960	2.4
91.05489	20.7
93.06477	2.1
93.07055	40.4
95.04976	3.1
95.08611	29.6
95.09119	0.7
97.02881	1.6
97.06528	4.8
97.10183	2.7
99.08103	1.2
102.22351	1.0
104.83932	1.1
105.04514	1.3
105.07045	12.3
106.09881	1.1
107.08594	18.8
109.06526	1.6
109.10166	60.1
111.08067	3.6
116.77071	1.0
117.07021	3.8
119.08582	17.1
121.10153	16.5
123.11720	3.7
125.37736	1.1
129.07016	1.2
131.08571	7.4
133.10161	7.1
135.11713	16.7
137.09639	7.7
145.10121	7.1
147.11681	4.0
149.13264	3.9
155.10680	2.9
159.11703	3.9
161.13312	1.9
163.11229	2.9
163.14835	1.5
169.12270	1.2
173.11732	6.8
173.13211	2.5
174.51674	1.3
175.14796	1.1
181.12273	1.7
199.13226	1.2
213.14845	1.8
229.14246	1.5
235.63872	1.2
243.15909	2.2
255.15964	5.1
259.01816	1.2
260.49442	1.2
261.22150	4.0
287.18549	16.4
335.22031	2.1
335.25848	29.3
337.27310	1.9
397.30991	1.4
408.37897	1.3
427.97733	1.1
471.34616	2.1
489.35812	100.0
490.35989	5.7
503.37344	4.8
515.37408	9.9
547.40002	82.0
548.39899	3.4
590.81592	1.3
745.40857	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	743.354
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	0.5
65.60661	0.2
70.71912	0.4
70.72272	0.3
76.49360	0.2
83.62297	0.2
87.48650	0.2
87.54324	0.2
116.59138	0.2
141.02263	0.3
159.03282	0.4
161.09679	0.3
162.37564	0.2
166.01779	1.0
169.01778	0.4
179.72607	0.2
183.08040	0.2
184.02838	1.8
184.06454	0.2
187.02713	0.3
197.06015	0.6
199.07576	0.9
201.09215	0.6
202.03905	0.3
215.07085	0.5
215.10634	0.2
217.08575	1.8
219.35352	0.2
227.07153	0.8
227.10600	0.3
228.08839	0.2
235.09639	0.4
238.11212	0.4
242.08223	0.3
245.07986	0.5
247.11276	0.7
248.09637	0.8
261.09192	0.4
263.10724	0.6
264.13858	1.2
265.12228	4.5
265.14758	0.4
266.10669	3.2
267.14050	0.2
277.73837	0.2
278.15384	0.3
279.10129	1.3
281.11749	0.3
282.10083	0.2
282.14886	0.6
283.13324	9.1
284.11609	1.4
286.13400	0.4
289.12137	0.2
290.11890	0.7
291.10178	2.2
301.14478	1.4
305.16776	0.2
308.12665	1.0
309.11240	6.0
311.12796	0.4
313.16016	0.2
319.13507	0.2
321.70776	0.2
323.17532	1.1
326.13983	0.6
327.12308	0.6
331.16891	0.6
338.15701	0.3
341.18726	2.7
342.18558	0.5
346.21802	0.7
349.17664	0.3
352.13007	0.2
356.16528	0.7
357.15295	0.3
359.19608	0.3
360.19724	1.0
363.24338	0.3
364.22925	1.4
371.21368	0.5
375.15851	0.5
381.25189	0.4
389.22235	5.3
390.22263	0.2
393.17053	0.3
407.23315	13.8
408.23389	0.4
425.24359	10.3
426.24521	0.4
437.25699	0.6
455.26849	1.1
473.28064	6.1
474.28088	0.4
491.29080	100.0
492.29364	3.9
492.35812	0.4
551.31207	7.3
657.35339	14.5
658.35577	0.9
699.36438	4.2
700.36871	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.7
55.01867	2.4
55.05526	12.0
57.03443	9.0
57.07074	2.9
57.63653	1.0
60.78414	1.1
61.02915	2.1
65.03941	2.3
67.05511	46.2
69.03443	1.4
69.07074	15.2
71.04981	3.9
74.09715	1.5
79.05498	31.9
80.57848	1.3
81.03427	6.3
81.07062	73.9
82.07387	1.2
83.04990	7.5
83.08611	8.8
85.02914	3.5
85.06529	4.3
91.03951	1.6
91.04906	1.5
91.05481	26.5
93.07051	31.6
94.07362	1.1
95.04948	5.2
95.08609	34.7
97.02921	1.5
97.06510	5.7
97.10175	2.0
99.08099	2.9
103.05459	1.1
105.07037	30.9
107.08599	19.5
109.06540	3.3
109.10160	12.9
111.08085	2.6
117.07003	3.1
119.08590	21.7
121.10137	18.2
123.08092	3.6
123.11726	18.4
125.09641	1.2
127.03860	1.1
129.06955	2.1
131.08572	8.8
133.10150	7.9
135.11690	7.0
137.13255	2.2
145.10149	4.7
147.11703	38.5
149.09619	1.7
149.13260	4.8
157.10118	2.0
159.11710	4.6
161.13290	1.9
163.14755	1.3
165.12743	12.7
173.13289	2.7
175.11261	1.9
183.13831	1.5
193.12228	4.5
211.13292	3.6
227.70154	1.1
229.14444	3.5
243.21140	4.5
260.31912	1.1
261.22183	13.0
267.15933	45.9
279.23227	1.3
283.15408	2.0
284.15881	2.6
285.16992	49.7
317.24750	3.1
335.25806	100.0
336.26224	4.2
353.26706	1.4
367.86407	1.1
527.37054	3.8
545.38385	49.1
546.38776	3.0
692.14990	1.3
725.74359	1.2
743.45880	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.2
57.03440	8.3
61.02929	2.1
63.32351	0.9
68.99811	1.6
69.03433	22.8
70.06651	0.9
70.83064	1.8
70.84479	0.9
71.01370	1.0
73.02921	5.6
81.03416	3.5
85.02910	21.3
87.04478	7.9
91.05483	1.0
93.03429	1.6
95.04965	1.3
97.02892	11.9
103.03944	1.3
107.04950	1.3
109.02917	2.7
115.03938	3.5
121.02877	2.1
123.04470	1.3
127.03938	1.6
133.02844	1.2
133.04938	1.7
135.04427	6.3
137.02350	29.0
137.03398	2.1
139.03899	1.4
161.02374	5.0
163.03896	1.9
168.06183	0.9
173.02348	1.3
175.04022	1.0
176.00964	1.3
177.01822	3.6
177.05502	1.3
179.03401	3.3
181.04988	1.5
187.03999	2.1
189.01836	7.3
191.03418	6.7
195.02937	4.7
201.01767	1.0
201.05437	1.6
203.03416	8.9
207.02872	8.0
209.04556	1.5
211.03976	0.9
215.03401	2.6
217.04984	3.1
219.02942	7.2
221.04425	3.4
227.03384	2.6
229.04980	3.1
231.02798	1.3
231.06572	1.0
233.04466	3.0
239.03394	1.1
241.04926	1.1
243.02919	2.3
245.04530	1.6
249.04044	1.1
253.04958	1.1
255.02888	2.1
255.06567	1.4
257.04492	2.0
271.06046	1.2
273.03952	1.4
283.05914	2.6
284.06857	3.6
285.03946	2.2
285.07379	1.0
287.05490	1.8
293.08234	1.2
295.06009	6.6
296.06860	2.8
297.07382	6.0
298.04587	1.0
299.05551	7.0
300.06308	2.3
307.05841	2.0
308.06845	0.9
309.07483	4.0
310.04709	26.4
310.08105	1.8
311.05518	64.5
312.06232	6.8
313.07086	10.4
320.06827	1.0
321.07596	2.2
323.05508	48.3
324.06247	16.5
325.07071	13.0
329.06561	7.0
333.07553	2.0
334.08255	1.5
335.05573	7.3
335.09103	1.6
336.06433	4.7
337.07080	25.0
338.07788	10.5
339.04932	2.3
339.08597	4.5
341.06580	87.9
342.07043	3.1
345.07465	1.5
347.05417	1.5
348.06537	1.3
349.06998	9.4
350.07956	2.6
351.04877	1.7
351.08618	14.2
352.05743	3.1
353.06567	74.4
354.06863	1.8
355.08215	2.5
361.07037	5.3
362.08054	1.2
363.08621	8.7
365.01935	1.5
365.06552	30.9
366.07419	1.7
367.03873	1.2
367.08167	22.1
371.07669	22.2
373.07239	1.7
375.08810	1.5
377.06445	15.3
377.10434	1.4
379.08109	9.3
381.05890	0.9
381.09879	9.8
383.07578	5.8
389.06610	5.6
391.08224	10.3
393.05707	1.9
395.07645	55.3
396.07861	1.1
401.06784	2.9
403.08371	2.2
405.09827	2.8
407.07629	33.7
409.09024	2.0
413.08981	1.5
415.08078	1.5
417.09781	2.1
419.07516	21.4
421.09024	1.9
425.08704	33.6
426.09195	1.4
429.10135	1.2
431.08078	4.2
433.09512	2.4
437.08664	18.9
443.09732	19.1
445.09503	1.3
449.08667	3.9
455.09766	21.5
461.08496	4.6
467.09521	1.3
473.10843	100.0
474.11212	2.2
479.09570	5.4
491.11880	28.3
497.10803	21.9
503.11606	4.6
509.10733	4.1
515.11871	14.4
521.10553	2.6
527.11859	23.7
533.13165	1.1
539.11877	15.6
545.12994	7.6
557.12976	23.0
563.13562	1.4
575.13989	24.3
587.13977	8.9
593.14996	48.1
594.14642	1.4
605.15112	12.6
611.15723	3.4
623.15747	3.7
647.16302	1.1
659.15741	1.3
671.16156	1.7
677.16223	1.8
689.17255	7.1
693.27570	1.0
707.17975	4.3
725.18964	1.2
743.20758	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
53.27071	1.2
55.01876	1.7
55.05264	1.7
55.05513	18.0
56.64497	0.9
57.03436	9.9
57.07073	2.0
61.02917	3.2
65.03933	2.6
67.05508	49.2
69.03420	1.4
69.07069	19.1
69.33991	6.5
69.34396	2.4
71.04993	3.4
78.03862	1.0
79.05495	40.0
81.03397	2.3
81.07060	100.0
82.07383	1.4
83.04987	6.6
83.05399	1.0
83.08626	9.3
85.02885	2.6
85.06532	6.2
91.05485	32.3
93.07049	35.7
95.04962	4.8
95.08615	36.1
97.02872	2.4
97.06557	6.1
97.10136	1.5
98.21626	1.9
99.08071	3.0
105.04520	1.1
105.07038	34.5
107.04934	1.1
107.08598	21.7
109.06516	5.0
109.10160	13.2
109.81769	1.0
111.08084	1.7
117.07017	4.0
119.08586	31.2
121.10146	30.4
123.08080	4.5
123.11710	24.9
127.07557	2.5
129.06984	2.1
131.08583	9.1
133.10124	7.2
135.11696	8.7
137.09641	1.8
137.13243	2.9
137.25407	1.1
145.10100	6.4
147.11697	54.8
149.09532	1.3
149.13254	5.2
157.10081	3.1
159.11696	3.5
161.13228	3.9
163.14825	3.0
165.12776	21.3
173.13246	4.8
175.11143	1.6
175.14819	1.3
183.13809	3.2
187.14810	1.9
193.12234	2.4
211.13203	1.4
229.14349	6.2
243.21092	4.9
261.22131	18.5
267.15912	63.3
279.23114	2.0
285.16980	79.3
308.08057	1.3
317.24826	2.3
335.25815	75.3
336.25995	2.2
353.26843	3.0
429.46561	1.2
527.37469	6.9
545.38391	58.4
546.38263	3.0
563.39624	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	742.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.4
55.01886	4.1
55.05516	23.5
57.03444	18.3
57.07096	1.9
61.02924	3.9
65.03942	4.4
66.28209	1.6
67.05509	63.5
69.03425	3.5
69.07063	18.7
71.04996	7.0
72.11900	1.8
73.02934	2.1
79.05500	49.7
79.05962	2.6
80.96611	1.6
81.03426	67.1
81.07063	68.7
83.04984	16.2
83.08627	27.7
85.02916	26.8
85.06542	2.3
87.62950	1.7
91.05486	46.8
93.06472	3.4
93.07048	44.6
95.04970	26.2
95.08051	3.3
95.08617	41.6
97.02895	5.5
97.06550	5.2
97.10158	5.2
98.20713	3.5
105.07035	30.4
107.04939	6.2
107.08603	21.3
109.06528	7.8
109.10175	14.7
111.04431	2.3
111.08094	12.5
111.54939	1.8
113.06018	2.5
114.76369	1.9
117.07035	6.5
119.07805	2.8
119.08595	26.7
121.10163	22.1
123.08089	4.6
123.11703	6.6
125.09625	2.6
129.07043	13.6
131.08556	18.9
133.06575	2.0
133.10159	17.3
135.11731	8.8
137.09590	1.9
140.73091	1.7
142.07822	3.6
145.10150	8.3
147.08043	3.7
147.11687	19.5
149.09599	5.0
149.13269	4.7
157.10144	16.9
159.11740	5.1
161.13272	3.3
163.14818	2.5
165.12775	2.1
173.13292	4.2
175.11182	13.7
175.14929	2.1
187.14824	2.4
190.46442	1.7
193.12248	55.9
211.13309	84.1
212.13651	2.1
215.39470	1.6
243.20985	3.2
249.14961	2.0
261.22202	10.3
267.15897	14.2
285.16992	96.1
298.53351	1.9
301.25186	2.3
317.24695	2.7
335.25815	90.4
435.32614	3.2
453.33295	1.8
527.37323	12.0
528.87726	1.9
545.38403	100.0
546.38513	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	742.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.8
55.01861	3.6
55.05260	1.9
55.05515	23.0
57.03445	16.1
57.07076	2.1
59.05022	1.3
61.02921	4.7
65.03937	3.3
67.05511	66.9
69.03438	5.9
69.07078	18.1
71.04996	4.0
73.02922	1.8
79.05501	49.2
79.19306	1.1
81.03429	50.2
81.07066	62.7
83.04989	15.4
83.08625	20.0
84.67052	1.2
85.02912	21.9
85.06557	2.7
91.04909	1.4
91.05488	45.4
93.07054	47.8
95.04979	22.4
95.08616	43.7
97.02898	5.7
97.06544	5.6
97.10178	5.0
99.04509	1.3
99.08100	1.8
105.04519	1.6
105.07042	29.4
107.04988	5.2
107.08609	25.1
109.06546	5.6
109.10171	15.5
111.08087	7.2
113.06046	1.3
115.05434	2.0
117.07019	7.4
119.07794	2.1
119.08591	26.2
121.06518	1.8
121.10158	22.7
123.08076	3.3
123.11704	5.6
125.09577	1.2
129.07014	9.0
131.08582	17.1
133.06503	2.0
133.10143	18.1
134.97696	1.1
135.11705	9.8
137.09622	2.2
137.13240	1.8
142.07787	2.4
143.08539	1.5
145.10156	7.9
147.08037	2.3
147.11716	14.6
149.09639	5.5
149.13315	5.5
157.10126	10.5
159.11703	4.3
161.13274	2.1
163.14836	3.0
165.12758	2.7
173.13280	4.1
175.11218	10.5
175.14871	1.8
185.13206	1.5
187.14868	2.1
193.12270	31.1
201.16393	1.2
211.13304	46.3
211.15294	2.4
212.13733	1.1
213.05574	1.2
243.21118	3.6
259.20624	1.8
261.22165	12.0
267.15958	13.6
269.17484	2.4
285.16995	55.1
317.24799	2.9
326.08295	1.6
335.25830	92.4
336.26105	3.4
435.32751	2.1
453.33780	1.7
471.34897	1.6
527.37396	12.4
545.38422	100.0
546.38782	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	742.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
54.01715	1.2
55.01873	1.5
55.05294	1.1
55.05514	11.6
57.03443	11.3
57.07061	1.3
61.02916	2.4
65.03926	1.7
67.05508	35.5
69.03432	3.4
69.07080	8.6
69.27251	10.5
71.04987	4.0
79.05499	26.1
81.03423	37.8
81.07063	37.0
82.07394	1.2
83.04983	8.7
83.08622	17.0
85.02909	14.7
85.06537	3.0
91.04969	2.1
91.05489	23.6
92.05836	1.2
93.07047	25.9
95.04973	13.4
95.08607	22.8
97.02878	3.0
97.06545	2.5
97.10174	3.6
101.06033	1.0
105.04569	1.1
105.07034	15.5
107.04955	3.7
107.08593	14.5
109.06515	4.0
109.10155	7.1
110.94135	1.0
111.04441	2.1
111.08107	5.9
113.06018	2.3
113.23446	1.1
115.05495	1.2
117.07021	3.4
118.78042	1.3
119.08584	14.3
121.10155	13.2
123.08118	1.5
123.11683	2.7
125.09711	1.6
126.52164	1.0
129.07011	5.1
131.08569	8.8
133.06509	1.5
133.10136	9.2
135.11736	7.0
137.09610	1.6
145.10123	3.5
147.08005	2.9
147.11711	10.7
149.09607	3.8
149.13278	1.9
157.10152	8.9
159.11699	2.7
163.11253	3.0
165.12759	1.4
173.13237	2.1
175.11183	8.7
184.07436	1.0
187.14833	1.4
193.12242	25.7
211.13309	43.6
227.12846	3.0
239.40622	1.0
243.21141	1.6
261.22171	7.4
267.15891	10.4
268.15845	1.1
283.15369	2.5
284.15906	2.2
285.16995	39.4
317.24753	1.1
335.25812	48.1
336.26038	2.7
393.42096	1.2
435.32745	1.8
453.33347	1.5
471.34946	1.5
527.37415	7.4
545.38397	100.0
546.38385	2.6
627.50128	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
53.60105	0.8
55.01868	2.4
55.05265	1.4
55.05514	14.3
57.01748	0.8
57.03444	11.4
57.07053	1.4
65.03934	3.2
67.05511	38.5
69.03419	3.1
69.07073	10.8
71.03912	2.0
71.04987	4.2
73.02903	1.0
77.03956	1.2
79.05501	29.5
81.03425	33.6
81.06589	1.8
81.07066	35.7
82.07399	1.4
83.04990	8.0
83.08624	15.9
85.02912	13.8
91.03978	1.0
91.05486	21.6
93.06477	1.5
93.07052	30.3
94.07411	0.9
95.04973	16.4
95.08614	27.8
96.08942	1.1
97.02893	2.7
97.06519	3.5
97.10157	3.4
99.33603	0.9
102.01508	0.9
105.07042	17.2
107.04954	2.8
107.08614	14.8
108.08955	1.1
109.06500	3.4
109.10168	10.9
111.04462	1.3
111.08095	5.3
113.05995	1.6
117.06998	2.7
119.08589	13.1
121.10149	14.5
123.08073	1.5
123.11691	3.9
125.09612	1.2
129.07043	4.5
131.08597	9.4
133.06522	0.9
133.10150	8.1
135.11714	7.8
136.11986	1.0
137.09573	1.9
142.07813	1.3
145.10190	4.5
147.08047	1.7
147.11705	11.2
149.09628	3.7
149.13235	3.0
157.10150	7.4
159.11644	2.5
161.13268	1.3
163.11130	1.7
164.11591	1.2
165.12804	1.5
173.13251	3.5
175.11188	7.4
193.12253	22.8
211.13301	32.4
211.15297	1.9
227.12776	2.8
228.13206	1.4
243.21094	2.0
261.22122	4.8
267.15881	7.5
283.15411	2.0
284.15732	1.1
285.17004	32.8
317.24884	1.5
335.25821	63.4
336.25943	5.6
337.26480	1.6
460.56348	0.9
527.37610	6.3
543.37146	1.5
544.36896	1.3
545.38367	100.0
546.38721	6.0
563.39148	1.0
657.85614	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
55.01872	5.1
55.05262	1.5
55.05515	17.6
57.03438	10.1
58.30118	1.0
59.62952	0.9
65.03925	1.7
67.05170	2.0
67.05506	22.2
68.55074	1.0
69.03429	3.6
69.07072	6.8
70.85049	1.9
71.05002	6.0
73.02899	1.3
79.05496	29.5
81.03423	57.1
81.07065	25.1
83.04996	6.2
83.08627	18.7
85.02915	3.1
85.06558	2.7
91.05483	22.9
93.07047	23.7
95.04976	26.1
95.08620	12.0
96.20346	1.1
97.02872	2.3
97.06533	4.7
97.10175	17.3
103.05449	1.3
105.07040	15.9
107.04955	19.9
107.08605	14.5
109.06531	17.1
109.10165	7.3
111.04456	2.5
111.08102	5.7
115.05430	1.5
116.06304	1.0
117.07014	7.2
119.04932	1.8
119.08588	13.5
121.06509	15.3
121.10136	13.7
123.04426	2.6
123.08063	6.3
123.11729	1.1
125.09642	16.3
129.06999	9.7
131.04945	3.1
131.08575	15.7
133.06512	4.6
133.10115	6.8
135.08060	8.9
135.11693	3.8
137.06003	1.7
137.09604	1.7
139.11172	1.8
141.06973	2.7
142.07799	3.2
143.08536	1.5
145.06500	7.4
145.10132	6.0
147.04405	1.9
147.08067	5.7
147.11726	8.6
149.09663	5.5
153.09135	2.4
155.08537	2.5
157.06494	1.8
157.10143	8.7
159.08020	2.5
159.11708	2.0
161.09586	2.1
163.11197	4.6
165.12784	1.2
167.08559	1.4
167.10773	1.2
169.10072	1.8
171.08070	1.6
171.10170	1.9
171.11623	1.8
173.09671	1.5
173.13283	3.5
175.07417	1.2
175.11179	7.9
177.12703	1.3
185.13274	1.6
187.11192	1.8
187.14807	1.2
189.11275	6.4
189.12675	1.4
191.10693	1.5
191.14311	3.9
193.12267	16.3
197.09604	1.6
197.13252	1.7
199.11240	1.5
201.12682	1.8
203.10704	1.2
211.13237	2.7
213.12756	2.4
215.14362	2.7
219.13797	12.1
223.13393	1.5
227.12784	3.3
231.13815	1.6
233.15431	3.7
235.07709	1.1
235.13303	2.1
237.12717	1.5
249.14859	1.8
255.13997	1.4
259.13269	1.6
259.15500	7.6
267.15924	43.6
270.27856	1.1
273.14774	6.7
275.16656	1.2
287.16501	1.5
289.17972	1.3
293.17532	7.6
349.21664	4.6
357.24210	2.8
367.22681	13.7
385.23746	23.8
386.24179	1.1
403.24869	10.9
433.25586	1.9
441.26315	8.3
451.26913	4.2
459.27444	100.0
460.27765	3.8
477.28494	88.9
478.28543	3.6
491.30060	8.4
495.12912	2.1
495.29770	8.1
496.30914	1.0
496.40646	1.1
501.28430	1.6
509.31091	3.2
512.27271	1.1
567.29578	2.3
653.53137	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.1
55.01865	2.9
55.05517	18.5
55.33488	1.3
57.03443	10.7
65.03952	1.9
67.05511	52.7
69.07072	13.3
69.71281	6.5
71.04999	3.9
79.05500	47.4
81.03439	3.1
81.07067	50.1
83.04472	1.5
83.04980	4.1
83.08626	14.7
91.05499	16.8
93.07052	60.6
95.04987	6.4
95.08613	64.3
97.02885	4.9
97.06548	4.3
97.10144	2.1
98.21464	3.1
99.04460	4.9
105.04517	1.6
105.07032	13.2
107.04965	8.8
107.08605	40.4
109.06517	2.4
109.10165	11.2
111.04481	1.5
113.06022	1.6
117.07021	11.7
119.08595	15.8
121.06510	3.9
121.10152	21.0
123.11733	3.0
125.06011	3.2
131.08585	4.1
133.10143	5.4
135.08081	4.0
135.11707	60.7
139.07579	3.1
145.10149	36.4
147.11678	2.4
159.11705	2.0
161.13228	1.6
163.11197	66.8
164.11646	1.5
170.18060	1.4
173.13205	1.5
179.56900	1.3
181.12224	10.9
187.14914	2.1
209.11777	3.1
227.12798	83.8
243.21219	1.7
261.22128	5.6
283.15417	99.1
317.24670	2.4
335.25812	100.0
336.26181	4.0
515.80438	1.7
543.36877	87.4
544.37457	7.0
682.40332	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.01845	1.5
55.05518	12.2
57.03445	7.6
57.07049	1.6
61.02898	0.8
65.03905	1.9
65.62830	0.4
67.05514	36.6
67.05869	1.3
67.55798	0.4
68.78597	0.5
69.03391	1.4
69.07076	10.3
69.53901	0.6
69.54307	3.1
71.04955	2.2
73.02885	0.5
73.15871	0.4
77.03909	0.5
79.05503	36.2
79.05958	1.2
81.03392	2.0
81.07067	40.2
83.04994	3.0
83.08633	7.2
85.02872	1.2
85.06510	1.4
91.05489	14.9
93.07056	47.4
95.04980	6.2
95.08618	48.3
96.08878	0.5
97.02903	2.9
97.06544	3.4
97.10127	1.5
99.04484	2.8
99.08093	0.5
103.05447	0.9
105.04501	0.7
105.07044	10.0
107.04975	6.2
107.08607	28.6
109.06464	1.4
109.10170	10.1
111.04449	0.7
111.08096	1.0
113.05986	0.7
117.07027	8.2
117.72327	0.5
119.07821	0.6
119.08595	10.8
121.06527	4.3
121.10155	16.5
123.08035	0.6
123.11727	2.4
125.05987	2.6
125.09631	0.6
129.07022	0.7
130.07762	1.5
131.08575	4.5
133.10158	4.2
135.08014	2.2
135.11710	37.3
136.11885	0.6
139.07526	1.1
143.08562	0.6
145.10138	22.3
147.11653	2.0
149.13255	2.6
153.12717	0.9
159.11688	1.7
161.13223	2.1
163.11201	40.1
163.14799	1.6
173.09592	0.8
173.13264	1.3
175.14867	0.6
181.12259	6.8
187.14854	0.7
195.84152	0.6
209.11746	1.4
227.12802	50.7
228.13254	0.9
243.21156	1.7
256.71399	0.5
261.22189	6.6
283.15427	43.8
284.15799	0.9
317.24728	2.7
329.76804	0.5
335.25827	100.0
336.26239	3.1
395.37540	0.5
401.18030	0.5
469.33362	0.6
543.36877	72.3
544.37097	4.6
556.36230	0.6
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
52.12318	0.6
53.03947	1.8
55.01864	1.8
55.05516	6.4
57.03439	4.4
65.03949	0.6
67.05512	20.1
69.03424	1.6
69.07057	2.6
69.82189	2.8
71.04995	7.3
79.05503	11.3
81.03428	18.2
81.07064	27.9
83.04985	2.0
83.08627	7.2
85.02925	0.9
85.06546	2.1
91.05489	12.2
93.07050	9.7
95.04982	11.2
95.08623	6.3
97.02919	1.6
97.06533	2.6
97.10175	3.9
99.08110	0.6
105.07041	8.4
107.04959	8.0
107.08612	6.5
109.06531	6.6
109.10165	4.6
111.08083	2.1
115.05502	1.2
117.07029	3.2
119.08591	4.9
121.06512	5.4
121.10167	5.4
123.08073	2.2
123.11702	4.0
125.09674	3.5
129.07014	2.3
131.08577	8.0
131.29317	0.7
133.06476	1.7
133.10136	6.9
135.08047	2.3
135.11729	2.0
137.09598	0.7
141.06981	0.8
142.07668	0.8
143.08589	1.6
145.06531	2.7
145.10149	3.1
145.54051	0.6
147.08037	2.5
147.11708	2.0
149.09682	2.1
149.13277	1.3
151.11206	2.9
155.08572	0.8
157.10162	3.1
159.11697	2.1
161.09552	1.4
163.11192	1.6
169.10152	1.0
171.08040	0.7
171.11700	1.9
173.13300	1.9
175.11237	3.0
181.10167	0.8
181.93806	0.8
183.11688	1.3
185.13255	1.1
187.13367	1.2
189.11200	1.2
189.12749	0.7
191.14305	1.7
193.12234	4.4
201.12729	1.0
205.12279	1.2
207.05405	0.7
217.12273	0.7
217.15910	1.1
219.13855	2.6
227.12817	0.9
229.14288	0.9
249.14896	1.2
257.15338	0.8
257.17673	0.7
259.17096	0.7
267.15945	10.0
275.16269	0.7
301.20200	3.1
307.24347	0.7
325.21573	1.2
343.22592	4.3
351.23239	1.3
361.23889	0.8
369.24228	2.2
371.26031	1.1
387.25620	1.0
407.25940	1.2
412.61734	0.8
417.26181	3.3
425.26978	1.5
435.27457	13.3
436.27890	0.9
443.28033	9.5
461.29034	100.0
462.29492	4.5
475.30786	1.3
493.31635	5.1
536.94312	0.8
619.34613	1.0
735.20123	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	1.1
57.03437	0.4
57.07074	1.1
58.06334	0.3
58.06621	0.8
59.07404	0.2
60.07880	0.4
60.08171	6.0
60.22015	0.2
60.46109	0.3
67.05505	0.6
67.51107	0.3
69.07080	0.3
71.07384	3.4
71.08633	0.6
71.55683	0.5
79.05496	0.6
81.03434	2.0
81.07066	0.8
83.08615	0.6
85.10174	0.4
86.09715	28.8
91.05506	0.6
93.07045	0.6
95.04943	0.4
95.08605	0.8
98.98469	3.2
104.10767	2.3
105.07038	0.6
109.10171	0.4
121.10184	0.3
125.00018	20.1
129.07007	0.3
135.11685	0.2
183.11792	0.3
184.07359	100.0
185.07719	0.6
193.12270	0.8
212.79184	0.2
235.27600	0.2
267.15979	2.7
309.17593	0.3
313.27383	2.9
383.13638	0.3
496.33746	0.3
505.39035	2.6
688.34027	0.5
688.45502	6.7
689.46057	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.4
55.01873	12.0
55.05516	15.3
57.03441	18.5
57.07076	2.1
59.05010	2.4
61.02919	3.7
65.03937	2.7
67.05509	49.6
69.03437	6.6
69.07084	9.3
70.00256	5.8
71.01362	1.9
71.04992	5.0
77.53017	1.6
79.05060	3.3
79.05499	45.3
81.03421	83.0
81.07060	43.6
83.04980	24.8
83.08621	20.5
85.02908	7.9
85.06531	5.7
91.03955	2.0
91.04909	2.2
91.05484	40.4
93.07047	44.0
95.01320	4.1
95.04969	37.2
95.08611	16.8
97.02885	6.8
97.06536	14.4
97.10157	5.2
98.20810	2.6
99.04456	4.0
105.07033	23.1
107.04962	33.2
107.08601	23.2
109.02883	1.8
109.06516	6.8
109.10147	10.2
111.04451	30.2
111.08097	13.9
113.05976	1.8
115.05462	2.7
117.07024	13.1
119.08582	23.7
120.08118	2.7
121.06496	7.0
121.10149	37.5
123.04416	5.6
123.08069	5.6
123.11718	1.9
125.05981	3.1
127.03896	2.3
129.05536	2.6
129.07018	16.4
130.07712	2.4
131.04922	2.5
131.08566	20.3
133.06456	2.7
133.10133	9.2
135.08031	4.8
135.11697	28.4
137.05972	3.5
137.09612	3.7
142.07773	3.3
143.08537	3.0
145.06517	8.6
145.10124	34.0
147.04381	3.9
147.08060	5.5
147.11688	9.7
149.09610	13.5
153.12779	11.2
155.08577	8.9
157.10153	9.8
159.08064	2.1
161.06000	3.4
163.11185	42.3
165.12764	2.2
173.09622	20.9
175.11203	9.1
177.73872	1.7
181.12253	16.8
187.07529	1.9
191.10667	20.6
193.12230	28.7
209.11702	12.8
211.13338	7.5
227.12729	15.2
229.14415	3.6
235.13344	3.7
241.14284	2.3
249.14922	2.1
259.15274	1.9
265.14355	36.2
267.08801	2.1
267.15921	80.4
273.14996	2.3
283.15424	78.7
301.16498	74.8
309.17056	2.9
355.22571	3.6
365.20911	3.4
383.21997	9.1
401.23239	7.3
447.27615	9.6
457.25974	23.8
475.26938	92.5
476.27078	4.3
493.27991	100.0
494.28442	4.8
511.28778	3.4
578.32678	4.1
645.15253	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
53.23106	1.5
55.01871	16.4
55.05265	2.0
55.05516	27.2
57.03444	19.9
57.07073	2.0
59.04989	3.8
61.02946	3.0
61.92999	1.4
64.46426	1.2
65.03929	3.4
67.05509	49.0
69.03425	9.3
69.07065	9.1
69.36539	9.0
69.36958	3.1
71.01340	1.8
71.04989	6.9
73.02908	4.0
79.05499	38.5
80.05772	1.5
81.03424	100.0
81.07063	31.1
82.03757	2.2
82.04202	2.6
83.04987	23.1
83.08627	29.0
85.02898	8.1
85.06559	3.8
87.04463	2.2
91.03956	1.4
91.05485	35.8
93.06486	1.9
93.07052	28.0
93.24940	1.6
95.04978	40.3
95.08620	14.6
97.02906	10.2
97.06527	9.8
97.10173	14.5
98.07326	2.8
98.21533	2.4
99.08076	4.0
103.05437	1.7
105.06395	1.8
105.07044	24.8
105.07733	0.9
106.60208	1.3
107.04964	21.9
107.08597	21.0
109.02932	1.6
109.06548	7.0
109.10158	21.7
111.04463	11.9
111.08085	12.8
113.06034	1.3
115.05448	2.7
116.04717	10.5
117.05474	2.2
117.07036	8.4
119.04924	2.1
119.08578	22.8
121.02876	4.6
121.06494	8.5
121.10153	14.7
123.04439	3.3
123.08054	6.9
125.09653	14.5
127.03967	2.1
129.05522	23.7
129.07007	13.1
130.07773	1.7
131.08574	14.4
133.06476	6.6
133.10104	10.8
135.04443	4.1
135.08087	4.9
135.11705	14.4
137.09587	3.6
142.07768	3.2
143.06999	5.6
143.08582	2.0
145.06441	3.2
145.10146	11.2
147.04388	1.6
147.08012	6.8
147.11697	11.9
149.09627	9.2
153.09195	2.4
153.12752	23.2
155.08623	2.6
157.08604	8.9
157.10135	12.8
161.05901	1.9
161.09586	2.0
163.11205	19.3
165.09120	1.8
165.12764	3.8
171.10159	4.0
171.11642	1.5
173.09557	3.3
173.11739	4.5
175.11226	12.3
177.12677	1.7
181.12244	19.2
183.11690	1.8
185.11859	1.8
189.11217	12.1
191.10629	10.0
193.12242	33.5
194.12689	1.6
199.13286	4.2
200.13980	2.5
201.12761	4.0
201.14778	1.7
203.09070	1.4
205.12366	2.8
209.11664	9.4
211.13297	13.6
219.13795	4.1
223.13211	1.9
225.14609	1.5
227.12802	32.9
229.12711	1.4
229.14400	13.7
231.13817	2.6
247.13300	25.0
249.14922	3.2
255.16071	1.8
259.13193	2.4
265.14355	2.1
267.15936	82.6
268.16394	2.0
283.15451	18.6
285.10434	2.3
285.17059	4.5
287.69064	1.4
301.13345	2.8
301.16510	36.2
321.17007	6.5
332.23215	1.6
337.21979	1.5
363.21417	1.7
383.22244	4.8
401.22995	2.7
421.25696	3.0
439.26712	2.7
447.27298	1.8
457.25784	2.3
459.27667	2.3
461.28320	2.8
475.26962	17.2
476.27585	2.8
493.28036	32.6
525.30975	2.3
589.29944	2.0
675.45032	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.3
55.01896	2.2
55.05305	1.6
55.05516	15.6
57.03429	6.8
57.07055	2.0
59.06126	3.9
65.03952	2.7
67.05508	55.4
68.05851	1.8
69.07068	12.5
69.77284	9.3
71.04980	3.0
73.05022	1.5
79.05499	57.8
81.03423	4.9
81.07063	51.4
83.04999	9.0
83.08620	6.7
91.05484	41.8
93.07048	59.7
95.04975	11.8
95.08615	32.6
97.02934	1.8
97.06541	3.9
97.10158	2.7
99.10236	1.6
101.07170	4.6
105.07030	25.5
107.04996	3.5
107.08591	20.1
109.06512	4.4
109.10163	8.1
117.07030	8.3
119.08587	21.4
121.06512	1.6
121.10142	11.1
123.08073	3.3
129.07025	10.2
131.08568	7.2
133.10130	11.7
135.11684	7.3
143.08562	4.6
145.10107	9.1
147.08011	2.1
147.11679	22.7
149.13242	2.6
159.11775	3.2
161.09633	3.6
161.13309	7.5
171.11697	14.5
173.13310	3.3
189.12805	4.3
207.13853	14.9
261.22122	4.9
270.93326	1.5
279.15701	1.9
281.17508	46.4
282.17819	1.8
317.24854	2.9
335.25809	51.3
336.26212	2.2
541.38971	100.0
542.38977	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	738.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.4
53.03197	1.2
53.03934	4.2
55.01881	5.6
55.02111	1.0
55.05272	1.1
55.05515	17.1
57.03442	13.9
59.04978	1.8
61.02913	1.2
64.33333	1.1
66.53403	1.0
67.05511	22.1
69.03422	4.6
69.07080	5.6
71.01359	1.4
71.04986	3.9
71.55522	1.4
79.05501	19.7
81.03427	76.8
81.06656	1.6
81.07071	22.9
83.04982	7.2
83.08623	20.6
85.02910	4.9
85.06549	2.6
88.77343	0.9
91.05489	29.8
93.07046	19.8
94.17001	1.0
95.04972	24.7
95.08624	10.3
97.02891	5.8
97.06518	5.6
97.10160	8.4
99.00826	12.2
99.04456	1.7
104.02197	1.2
105.07035	19.1
107.04952	12.7
107.08591	11.7
109.02888	9.2
109.06548	6.4
109.10205	5.0
111.04453	3.1
111.08089	7.8
113.06011	1.3
115.03903	3.0
115.05448	2.0
117.07010	3.7
119.04949	2.9
119.08594	19.3
119.86040	1.1
121.06524	10.6
121.10139	7.1
123.04412	2.7
123.08073	4.0
123.11734	1.5
125.09623	4.9
127.03939	1.7
129.07001	9.4
131.08560	10.3
133.06531	5.2
133.10141	27.5
135.08051	3.3
135.11691	1.7
137.05992	2.5
137.09605	2.5
139.07526	2.6
142.07805	2.1
143.08594	5.8
145.06476	3.6
145.10152	3.0
147.08047	3.8
147.11700	7.7
149.09627	6.6
151.11218	7.4
153.09041	1.9
157.10115	10.1
161.05994	1.6
161.09634	14.7
162.70175	1.0
163.11148	3.4
165.09076	1.7
165.12704	1.6
171.08089	3.2
175.11183	9.4
179.10622	8.8
189.09145	7.1
189.11209	4.3
191.14354	1.2
193.12271	25.0
197.11818	1.7
207.10068	2.3
209.11717	1.9
211.13281	6.3
219.13800	8.6
225.11229	8.2
227.12758	4.3
249.14867	1.9
267.15942	100.0
268.16177	2.6
273.14731	2.3
281.13998	5.7
283.15466	3.0
285.10150	1.4
285.16968	7.8
299.14914	63.2
300.15210	1.7
318.13351	1.2
367.22708	4.2
371.22000	1.1
381.20526	2.1
385.23880	6.4
389.23392	2.7
399.21725	2.5
403.25031	1.5
417.22598	1.8
441.26282	3.0
445.25916	7.9
455.24307	1.2
459.27454	25.7
463.01172	1.1
463.27280	5.6
473.25363	26.0
474.25839	1.6
477.28543	21.8
478.28934	1.2
491.26352	84.7
492.26459	3.8
509.27502	4.6
768.23425	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.9
55.01862	8.0
55.05271	2.8
55.05516	37.6
57.03444	16.8
59.04983	2.3
61.02930	22.2
65.03935	5.9
67.05509	66.3
69.03441	15.2
69.07063	18.9
70.17903	9.2
71.04996	14.9
73.02914	12.7
79.05500	55.3
81.03429	29.9
81.07063	57.7
83.04993	12.6
83.08630	20.3
85.02913	21.5
85.06536	6.3
87.04436	2.2
91.03950	9.9
91.04908	2.3
91.05486	50.0
93.07058	50.9
93.63854	2.0
94.99228	2.3
95.04984	14.1
95.08611	40.5
97.02911	20.1
97.06535	7.5
97.10177	18.5
99.08106	2.5
101.02361	2.2
105.06396	3.7
105.07044	43.5
107.04949	8.1
107.08598	33.8
109.02895	6.7
109.06538	9.4
109.10155	27.3
111.08066	6.5
113.09631	2.2
115.05424	5.7
116.06181	2.2
117.07027	24.7
119.08601	34.6
121.06509	5.8
121.10153	20.3
123.08057	5.7
123.11702	7.4
125.09649	15.0
127.03897	5.4
128.06215	7.3
129.07018	20.6
131.08578	39.0
133.06435	4.7
133.10139	23.3
135.08052	8.4
135.11681	7.8
137.09590	5.3
141.07007	8.8
142.07791	5.7
143.08580	23.6
145.06448	2.6
145.10126	30.3
147.08022	6.1
147.11714	15.4
149.09592	8.7
149.13284	2.8
151.11276	3.8
154.07736	2.3
155.08546	15.6
156.09375	3.6
157.10144	25.9
159.08022	4.7
159.11720	21.9
161.09628	5.9
161.13272	5.3
163.11162	8.9
165.06967	2.3
167.08551	6.2
169.10184	16.6
171.11687	19.6
173.04472	3.2
173.09612	5.4
173.11972	2.7
173.13229	15.2
175.11157	6.6
175.14845	3.4
177.12845	3.1
179.08524	3.5
181.10085	10.3
183.11739	12.1
185.09583	2.9
185.13274	10.7
187.11136	5.0
187.14798	5.7
189.11214	10.5
189.12709	3.9
193.10159	4.1
193.12216	3.7
195.11653	9.8
197.13228	10.3
199.11201	3.6
199.14796	8.9
201.12878	4.1
201.16356	3.0
203.14375	3.6
207.11732	6.2
209.13248	10.0
211.11232	3.1
211.13257	7.5
217.15778	2.8
221.13226	6.7
223.14867	6.1
223.49371	2.1
225.16342	2.1
227.12717	17.7
235.14865	2.7
237.12769	2.7
237.16553	4.5
246.23303	2.6
247.14650	2.8
265.19583	3.1
267.15784	5.8
271.20462	3.0
273.18509	6.2
287.20157	2.9
291.19662	8.5
297.22046	6.3
299.20432	3.0
299.23517	11.1
301.21664	4.6
307.20328	3.7
309.21860	3.2
321.22113	3.1
323.19540	2.5
323.23932	2.8
325.21799	3.1
339.22876	3.0
365.23312	6.8
377.24503	2.7
415.29761	5.8
421.25879	3.3
423.27475	3.2
433.30957	19.4
443.27811	4.8
451.32233	13.7
469.32922	8.0
483.34592	3.1
489.33978	2.8
507.34537	9.1
517.35162	23.9
525.35803	77.9
539.37659	3.0
543.36871	100.0
544.37006	5.6
555.36426	2.3
557.38959	19.7
575.39612	38.0
633.38263	2.7
669.39624	3.5
687.41003	3.7
705.42145	4.4
719.38269	2.8
737.43408	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	737.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	13.5
55.01875	14.3
55.05272	2.8
55.05517	40.2
57.03440	22.4
61.02929	5.6
61.11239	2.3
65.03951	5.2
67.05170	4.8
67.05505	61.8
69.03436	26.0
69.07076	22.1
71.04996	13.5
73.02957	2.9
79.05500	65.9
80.05866	3.0
81.03422	91.0
81.07063	100.0
82.07388	3.5
83.04987	38.4
83.08620	35.8
85.02905	25.6
85.06559	5.7
91.05486	57.7
92.05843	2.9
93.07049	51.6
95.04969	45.1
95.08606	28.7
97.02891	28.0
97.06545	11.0
97.10180	24.9
99.04482	6.1
99.08088	3.9
105.07034	42.7
107.04963	20.4
107.08604	28.8
109.02897	15.1
109.06516	19.8
109.10175	17.3
111.04440	31.9
111.08093	20.6
113.06000	4.9
114.57579	2.7
115.05513	3.1
117.07037	17.9
119.08586	35.0
121.06528	12.6
121.10141	25.3
123.08081	26.4
123.11726	4.7
125.06048	4.0
125.09641	20.8
127.03920	12.1
128.06212	3.3
129.05527	3.6
129.07024	20.2
129.12976	2.7
131.08585	29.5
133.06479	5.9
133.10133	17.7
135.08058	10.7
135.11716	14.0
137.05991	3.4
137.09619	7.5
141.07001	4.3
142.07782	4.6
143.08559	6.4
145.06496	3.4
145.10132	21.1
147.08044	11.8
147.11681	21.7
149.09628	14.6
149.13223	3.0
151.11237	4.0
153.09096	3.6
153.12747	8.7
155.08638	4.7
157.06487	2.7
157.10170	18.0
159.08052	6.6
159.11719	7.5
161.09659	8.3
163.11214	27.2
165.09119	6.5
165.12775	3.6
169.10120	4.3
171.11688	6.7
173.04411	3.0
173.09679	6.4
173.11786	4.0
173.13235	3.1
175.11147	17.6
177.12801	2.9
181.12285	12.2
183.11671	3.7
185.09714	3.4
185.13300	2.8
187.11282	4.1
189.11288	17.2
189.12700	3.5
191.10718	10.4
193.12247	40.0
199.11102	3.0
209.11662	4.9
211.13310	51.8
212.13655	3.4
223.13287	7.1
227.12743	23.9
229.14285	4.8
249.14859	5.3
255.17506	5.0
265.14365	2.9
267.15897	18.8
268.16302	2.7
273.18518	28.8
275.20007	5.8
283.15341	13.5
285.16916	19.4
291.19543	70.6
309.20587	7.6
337.16617	2.8
347.22058	10.0
355.17569	6.1
365.23212	33.0
411.20230	3.0
422.26144	4.8
429.21317	15.4
439.19476	3.3
447.28580	2.9
459.27463	3.4
468.65829	2.6
473.25363	3.3
476.27087	3.6
477.28339	4.8
483.30634	4.3
490.28897	4.8
493.28140	4.9
494.28421	11.1
525.29443	2.9
539.33405	5.2
557.34760	23.5
575.35919	27.7
593.36859	5.2
719.40381	21.7
737.41260	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	737.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25866	0.9
56.96564	2.1
58.99864	2.3
64.07801	0.8
69.03419	1.8
69.49469	2.7
69.49894	3.2
70.99834	1.3
77.00905	1.7
81.03423	1.4
82.99842	1.4
84.96021	1.7
89.03938	1.7
95.93444	0.8
97.02887	1.3
98.97566	4.6
101.00265	1.5
101.00888	15.8
105.00365	1.4
109.02905	2.2
110.97566	1.8
112.89609	1.5
113.00887	2.6
114.89340	1.0
115.02429	2.3
116.98616	1.5
117.03396	1.7
119.01934	26.6
127.02431	2.4
128.98615	1.2
129.00351	1.9
131.01912	10.7
131.04883	1.1
132.97775	0.9
133.03462	1.9
135.04433	4.9
137.02939	1.7
139.02394	2.0
140.98628	0.8
143.00182	1.4
143.01904	35.2
144.02025	1.1
145.02608	1.4
145.03447	10.0
147.01375	4.6
155.01907	19.0
157.03503	6.3
158.99657	1.3
159.01279	0.9
161.02965	28.9
163.03912	69.5
164.04356	1.3
167.01900	7.5
169.03456	3.7
171.05127	1.1
173.02979	19.6
175.04506	1.3
177.00725	1.3
177.02435	1.3
179.01942	4.4
181.03436	1.5
182.99698	1.6
185.01007	2.8
185.02962	30.8
186.03111	1.9
187.04579	4.4
193.03500	2.3
195.05075	1.1
197.02971	14.8
199.04495	1.8
201.00639	2.6
201.02419	1.6
203.01926	6.1
203.04018	11.4
205.01741	0.8
205.03519	1.4
207.05037	1.9
209.02972	4.8
211.04572	3.1
215.03975	7.6
217.03593	1.3
219.01733	1.8
221.02975	100.0
221.04942	4.5
222.03156	4.2
223.04463	1.4
227.02057	1.1
227.04031	9.5
235.04558	2.7
239.04115	20.1
243.01723	1.4
244.04568	1.1
245.02902	28.5
245.05103	53.8
246.05429	1.6
247.04605	1.5
253.05679	1.2
257.02884	4.7
257.05099	19.6
259.04477	3.1
261.02618	5.1
263.03983	63.9
264.04156	1.5
271.04431	2.0
275.02094	1.6
275.06348	5.2
277.05524	4.0
279.03589	2.1
281.05112	46.3
287.04007	3.4
289.05637	2.3
291.03891	1.3
293.03619	2.8
293.07275	2.3
295.06607	3.4
299.06577	4.8
303.03500	1.9
305.04498	2.4
305.07303	3.8
307.06720	6.3
311.06064	2.5
317.04953	3.6
319.06494	1.2
321.04752	2.0
323.06244	7.0
335.04529	1.9
335.08325	2.1
347.05847	4.4
349.03943	2.3
353.06693	0.9
365.06863	15.5
367.05084	2.5
377.06171	4.4
381.07068	1.0
383.08298	9.9
395.06894	6.3
411.04642	1.1
413.05649	10.0
431.06729	0.9
437.05646	13.7
447.07474	2.7
449.05658	3.8
455.06735	51.7
456.06937	2.1
467.06705	8.6
473.07480	1.7
485.07632	8.6
497.07788	7.4
515.08807	9.1
521.07745	2.6
539.08813	21.9
540.08661	1.1
545.13055	5.0
557.09998	37.8
558.09705	2.5
573.10468	1.2
575.10870	6.5
719.15222	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	737.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75517	1.4
56.96571	57.0
71.53654	1.4
74.97606	3.7
77.58884	1.4
82.99853	1.4
84.96045	41.3
91.05457	4.2
95.01896	1.3
95.02520	1.4
98.97593	100.0
101.00905	4.5
102.97066	4.4
110.97585	37.0
112.99107	2.2
116.98637	37.8
119.01936	10.1
119.04961	6.0
124.99146	7.5
127.00702	1.6
128.98618	31.9
131.00177	2.1
131.01903	4.2
134.99648	6.7
135.04375	1.8
140.00139	2.2
140.98605	7.6
143.00189	26.8
143.01898	9.6
144.98102	2.1
145.01782	1.8
145.03522	2.7
146.99651	13.0
147.04419	33.2
148.04741	3.0
149.01234	1.7
150.99153	2.0
152.98596	5.1
155.00192	2.0
155.01910	7.1
157.03438	3.0
158.99669	37.1
161.01234	18.1
161.02943	6.2
162.99223	2.4
163.00652	1.8
163.02603	2.0
163.03906	22.0
167.01987	3.3
168.98135	1.8
169.03442	1.7
170.99666	32.1
173.01596	1.6
173.02951	7.2
174.99223	2.9
177.00731	25.5
177.05475	3.4
179.02283	1.6
182.64201	1.4
182.99673	23.3
185.01181	7.1
185.02977	11.0
186.99200	3.1
189.00722	24.9
191.00172	2.0
193.00246	2.2
195.01746	1.9
195.03336	6.1
197.02972	4.4
199.02336	1.6
201.00735	62.9
203.00212	4.9
203.02167	4.3
203.04066	3.7
207.01689	2.7
209.01195	2.8
213.00746	5.6
213.04333	4.4
214.40610	1.4
215.04094	2.4
219.01801	47.2
221.01170	18.3
221.03001	23.3
222.03253	1.8
223.02779	1.6
227.04144	2.4
231.01768	4.3
235.02719	4.9
237.02824	21.6
239.02258	70.6
243.01756	23.7
245.00764	8.6
245.03014	8.7
245.05048	15.9
248.99249	4.2
253.03822	4.2
257.03217	31.3
261.02823	83.1
262.03613	1.8
263.02234	15.2
263.04263	9.4
263.09518	1.5
267.00247	7.8
271.02505	1.8
273.02817	6.0
275.02060	2.3
275.06372	1.7
279.03973	32.7
281.02963	28.2
285.01279	3.1
289.03818	5.0
291.00241	5.5
291.03854	12.3
293.03400	2.2
295.06616	1.8
299.04373	4.9
301.31766	1.6
302.05536	4.3
305.03534	1.5
305.07196	3.3
307.04932	2.9
309.01312	6.5
309.04544	1.5
311.04465	1.8
317.03152	1.7
321.01721	3.1
321.05042	33.1
323.04474	6.1
333.04916	4.3
341.05591	1.5
349.02072	6.6
351.02063	2.1
351.05942	8.5
353.05453	1.9
365.05289	7.7
367.03687	1.7
368.07925	1.5
377.01587	3.5
377.05939	2.1
381.07239	7.9
383.06503	9.7
393.03387	7.6
395.02832	31.0
395.07703	2.4
399.08112	7.0
407.06485	4.0
411.04559	15.8
413.03909	21.0
437.04068	9.5
455.06787	22.8
467.05548	6.6
497.06412	6.5
515.08704	2.5
539.07489	22.8
545.11829	62.0
546.12415	1.4
555.08716	5.0
557.08533	35.2
573.09772	45.5
603.11829	1.6
701.11407	2.5
719.13708	30.0
720.13556	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40535	0.7
52.24165	0.6
55.01866	0.7
55.05520	0.6
57.03437	1.8
59.34208	0.6
61.02937	4.9
62.45972	0.6
64.09424	0.8
67.05511	4.4
69.03438	3.0
69.07073	1.7
70.12612	0.9
70.12962	2.2
73.02916	2.9
77.34371	0.6
79.05489	3.3
81.03437	1.5
81.07071	5.0
85.02908	5.0
86.09731	0.7
91.03966	3.0
91.05493	3.3
93.07066	3.6
95.04962	0.9
95.08607	2.9
97.02890	4.3
99.04484	0.9
101.02411	2.1
105.07067	2.2
107.08614	1.9
109.10167	3.9
110.32494	0.6
119.08576	0.8
121.10201	0.9
123.11675	0.9
125.00011	1.0
127.03871	0.9
133.10159	4.0
137.02400	0.7
151.11224	1.9
184.07329	1.5
185.04239	1.3
203.05293	0.8
237.11147	1.6
243.08524	1.7
273.11963	0.8
303.56598	0.6
358.89145	0.7
455.18796	9.3
519.29407	4.4
573.37097	0.8
598.72003	0.7
733.41370	100.0
734.41541	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	735.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.6
57.03425	2.9
61.02905	5.0
67.05513	6.9
69.03433	2.1
71.55455	1.6
71.55811	1.7
73.02894	4.8
78.24893	1.2
79.05495	2.7
81.03370	1.8
81.07046	6.3
85.02894	5.6
91.03929	3.4
91.05498	2.4
91.29298	1.4
93.07003	3.2
95.08598	2.4
97.02879	3.5
97.84521	1.4
101.02387	1.5
107.08594	2.1
109.10163	2.2
127.03884	1.4
135.11653	3.8
173.11801	1.4
237.93079	1.4
243.08423	2.2
413.17914	9.3
457.20245	6.3
519.29309	4.7
691.40240	7.1
735.42505	100.0
736.43079	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	735.428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94885	0.7
53.03948	0.9
55.05507	1.7
57.03435	2.2
60.43303	0.7
61.02933	6.9
64.87177	0.7
67.05508	8.2
67.26769	0.7
69.03430	4.4
69.07063	2.1
70.72083	1.8
70.72437	1.1
71.04990	1.3
73.02921	4.9
79.05505	4.0
80.46821	0.6
81.03419	2.0
81.07052	7.2
83.08602	1.3
85.02903	7.5
91.03971	4.5
91.05492	3.8
93.07048	5.0
95.04942	0.7
95.08615	3.2
97.02894	5.3
97.06561	1.1
97.10153	0.8
97.33940	0.7
99.04447	1.6
101.02385	2.4
105.06031	0.8
105.07058	1.7
107.08602	3.0
109.02814	1.2
109.10178	4.0
110.06075	0.9
117.07052	0.9
119.08617	2.6
121.10139	2.5
127.03938	2.9
131.08588	1.3
133.10130	0.9
135.11697	2.4
145.10164	1.7
149.13298	0.9
185.04236	0.9
222.14902	1.2
239.12566	0.8
243.08453	2.2
291.12164	0.9
335.25775	1.6
346.60004	0.9
391.43939	0.8
413.18021	5.0
457.20435	2.2
505.90268	0.8
519.29279	11.0
555.38940	0.8
573.39825	1.4
691.40314	8.4
699.43530	1.1
735.42694	100.0
736.43353	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	733.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71585	0.5
55.05510	1.3
57.03433	2.2
61.02933	6.5
67.05511	6.1
69.03434	3.2
69.07063	1.5
71.04965	0.6
71.55270	0.6
71.55755	0.8
73.02921	4.9
79.05512	4.0
81.03427	1.9
81.07064	5.8
83.04971	0.5
85.02914	6.2
86.09759	0.5
87.04490	0.7
89.06008	0.6
91.03947	3.4
91.05466	2.7
93.07056	3.6
95.04986	0.6
95.08606	4.6
97.02913	5.5
99.04491	0.7
101.02385	1.5
103.03967	0.7
105.07050	1.3
107.08598	2.8
109.02891	1.4
109.10172	2.3
118.53768	0.4
119.08582	1.1
121.10153	1.8
123.11679	0.6
127.03939	1.7
129.37595	0.4
131.08565	0.6
133.10156	3.5
135.11723	0.8
145.10182	0.5
147.11711	0.7
151.11186	0.9
165.01852	0.9
167.03433	0.9
184.07373	2.2
237.11102	1.5
240.18298	0.5
243.08540	1.4
244.27324	0.5
255.10895	1.0
273.11746	0.6
306.61404	0.6
323.57813	0.5
335.25729	1.0
455.18811	4.1
519.29364	9.0
733.41290	100.0
734.41785	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	731.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.8
55.01881	0.3
55.05511	1.8
56.81412	0.3
57.03444	2.0
57.07109	0.3
59.06121	0.5
61.02932	5.5
67.05510	6.6
69.03435	3.2
69.07059	1.7
69.26119	2.8
71.01356	0.7
71.04984	0.6
73.02927	4.2
79.05502	4.1
81.03426	1.8
81.06585	0.5
81.07063	6.7
83.08632	1.4
85.02914	5.7
91.03956	3.5
91.05486	2.3
93.07050	5.4
95.04979	0.8
95.08624	4.1
97.02900	4.7
97.06524	0.4
99.04488	0.6
101.02385	2.3
105.07063	1.1
105.15067	0.3
107.08599	3.2
109.02914	1.0
109.10177	1.6
110.57568	0.3
111.08084	0.4
112.65838	0.3
115.03961	0.4
117.07054	0.7
119.08622	1.0
121.10181	1.7
127.03913	1.8
127.52770	0.3
131.08580	1.1
131.99144	0.4
133.10144	0.7
135.11678	1.6
145.05026	0.5
145.10141	0.5
147.11751	0.6
149.13330	1.1
159.11761	0.9
163.11224	0.5
164.31337	0.3
185.04247	0.8
227.12730	0.5
235.13074	1.2
243.08534	1.9
274.30734	0.4
283.15564	0.4
325.27499	0.4
326.28058	0.4
335.25870	0.8
453.20993	4.3
507.05817	0.4
519.29346	8.5
533.38733	0.4
534.38654	0.7
731.43445	100.0
732.43671	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	733.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.05507	1.2
57.03438	1.7
61.02934	3.4
67.05515	4.5
69.03444	3.0
69.07067	1.5
71.01363	0.8
71.55564	0.7
73.02922	2.8
79.05499	5.5
80.34731	0.4
81.03431	1.0
81.07072	3.0
83.04982	0.6
83.08632	0.5
85.02911	5.5
89.04083	0.5
90.59985	0.5
91.03976	2.0
91.05487	3.6
93.07066	6.1
95.04993	1.0
95.08618	2.6
97.02899	4.3
97.06551	0.9
97.10193	0.8
99.04470	0.9
101.02404	1.3
105.07060	2.3
107.08619	3.2
109.02905	1.0
109.10175	1.5
115.03956	0.5
117.07056	1.2
118.42359	0.5
119.08611	2.1
121.10166	1.6
125.09669	0.6
127.03970	1.3
127.23765	0.5
131.08540	0.8
133.10138	1.7
135.11720	3.8
145.10170	1.1
145.98759	0.5
147.11737	1.3
149.02380	0.7
149.09769	0.6
163.11148	0.8
165.99820	0.6
167.03453	0.8
185.04216	1.0
221.11514	1.1
243.08324	2.5
301.08997	1.5
315.10574	0.7
369.15607	0.7
373.10883	0.7
429.17554	0.7
439.19431	11.1
511.21487	1.4
516.37146	0.6
532.51221	0.6
535.28979	5.4
553.26099	0.5
626.61871	0.6
635.33350	0.7
644.86084	0.6
721.75464	0.6
733.41376	100.0
734.41748	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	731.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.05507	1.0
57.03429	1.8
59.04998	1.0
61.02930	4.0
67.05505	4.8
69.03442	2.9
69.07074	1.4
70.06583	0.5
70.73366	1.5
70.73723	0.5
71.04976	3.8
73.02920	4.0
79.05492	3.2
81.03423	4.0
81.07071	3.1
83.04990	1.0
83.08609	1.0
85.02908	4.4
85.06580	0.5
87.04481	0.9
91.03960	2.7
91.05486	3.6
93.07077	2.9
95.04984	1.4
95.08608	1.5
96.48192	0.5
97.02898	4.5
97.06525	1.2
99.04485	1.5
101.02393	2.0
105.07034	1.9
107.04967	0.7
107.08595	1.9
109.02922	1.1
109.10155	4.0
111.08098	0.6
117.06942	0.6
119.08593	2.4
121.10172	1.8
127.03925	2.0
129.07022	0.8
131.08583	1.6
133.10121	1.4
135.11728	1.5
137.09654	1.2
145.10223	0.6
147.11705	1.1
149.09625	1.6
157.10126	0.9
160.63994	0.5
175.11203	0.9
181.12170	0.5
193.12292	1.2
203.05257	0.7
225.14839	0.6
243.08449	3.3
243.16208	0.7
253.14146	1.1
267.15933	1.0
268.96481	0.5
283.15198	3.5
339.17828	0.8
345.66614	0.5
460.72742	0.6
471.22134	8.9
501.23111	12.5
502.23203	0.6
627.30127	1.0
636.15686	0.5
641.29724	0.9
713.34479	0.8
731.38190	100.0
732.38373	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	729.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50559	0.8
53.03941	1.7
55.05514	1.7
57.03436	2.9
57.07096	0.8
61.02934	7.2
65.03939	1.2
67.05511	7.6
69.03439	3.9
69.07075	2.8
73.02934	4.4
79.05492	4.2
82.07383	1.1
83.08635	1.9
85.02922	6.3
91.03963	4.5
91.05505	3.4
93.07054	5.3
95.04972	2.6
95.08616	5.5
97.02919	6.3
99.04459	0.9
101.02424	2.3
105.07064	1.8
107.08627	2.9
109.02100	0.7
109.02889	1.5
109.10191	2.1
117.07094	1.2
118.37736	0.8
119.08591	1.6
121.10165	1.7
123.11749	1.1
127.03960	1.7
133.10130	2.0
193.12196	1.4
243.08556	1.4
269.17596	2.0
292.22665	1.0
337.27301	2.1
338.27914	1.7
451.19595	8.6
475.27612	0.9
519.29346	7.7
531.40759	1.1
532.41064	4.5
729.41882	100.0
730.41968	6.6
741.55170	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01883	0.6
55.05513	1.8
57.03436	1.9
57.07098	0.4
59.05008	0.6
61.02934	4.9
67.05513	3.3
69.03434	3.3
69.07076	1.1
69.87883	2.0
71.01368	0.9
71.05000	2.0
73.02908	3.4
75.10313	0.5
79.05505	3.3
79.29723	0.5
83.04987	0.6
83.08615	1.3
85.02918	5.3
91.03957	3.1
91.05486	3.1
93.07064	3.5
95.04985	1.4
95.08616	1.4
97.02899	3.8
97.06527	1.0
97.56791	0.4
98.21442	0.6
98.97547	0.5
101.02401	1.8
105.07040	2.7
107.05020	0.6
107.08631	1.7
109.02916	1.3
109.05764	0.6
109.06524	0.8
109.10168	0.9
111.08108	0.9
115.03979	0.5
119.08603	2.4
121.10126	2.8
123.08083	0.6
123.11743	1.3
126.27779	0.4
127.03970	1.7
129.07028	0.8
131.08551	0.8
133.10190	1.5
145.04951	0.6
145.10159	0.6
147.08101	0.4
147.11702	3.3
149.09645	1.1
149.13380	0.5
157.10114	0.8
165.12833	1.3
169.07294	0.5
175.11174	0.9
176.44766	0.5
185.04297	0.8
193.12332	1.5
203.05336	1.0
211.13336	0.5
212.09314	0.4
243.08427	2.5
251.11276	1.0
267.09207	0.7
267.16064	1.4
269.12558	2.4
283.15363	1.5
285.10150	0.6
285.17035	0.6
307.15143	0.6
339.17947	0.6
425.21823	0.8
448.27893	0.6
451.19022	0.8
453.21252	2.5
469.20154	10.6
485.19464	0.5
501.23038	5.2
567.31281	0.6
625.32123	0.7
679.32904	5.6
697.33936	3.5
711.35040	2.4
729.36725	100.0
730.36450	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	729.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77875	0.4
53.03944	0.5
54.47582	0.4
55.01871	0.8
55.05508	0.7
57.03434	1.7
57.37247	0.4
61.02930	4.2
67.05507	2.5
69.03437	2.0
69.07070	0.5
70.20267	1.8
71.04996	1.2
73.02924	2.6
74.05405	0.3
79.05493	1.9
83.04990	0.8
83.08631	1.2
85.02921	5.3
87.04488	0.6
91.03971	2.1
91.05482	3.1
93.07043	1.8
95.04978	1.7
95.08614	1.2
95.92110	0.4
97.02889	3.0
97.06544	0.8
99.04482	0.6
101.02359	1.8
103.03959	0.5
105.07035	2.0
107.04943	0.9
107.08632	1.1
109.02879	0.9
109.06537	0.4
115.03928	0.5
115.05495	0.4
119.08620	1.6
121.10143	1.9
123.11746	0.4
127.03925	1.3
129.07028	1.2
131.08606	1.3
133.10147	1.5
140.03285	0.4
147.11726	1.8
148.45367	0.4
149.09624	1.8
157.10152	1.5
175.11288	1.6
185.82712	0.4
193.12225	3.3
203.05182	0.6
211.03778	0.5
211.13374	0.8
243.08408	2.2
251.12766	0.9
267.16034	0.7
269.12585	0.5
283.15277	3.6
307.15112	0.6
324.20129	0.4
339.17950	0.8
469.20459	9.0
501.23087	10.1
729.36676	100.0
730.37061	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	728.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
53.76484	0.7
55.01875	5.2
55.05520	8.8
57.03441	6.1
57.07077	1.3
60.05632	0.9
61.02921	2.0
62.00543	0.9
62.15705	0.8
65.03954	2.3
67.05513	43.7
69.03430	3.5
69.07072	11.0
69.21842	0.8
69.22130	9.1
69.30547	0.9
71.04994	3.8
73.06558	1.0
79.05498	21.5
81.03430	3.3
81.07065	41.2
82.50685	0.9
83.04985	5.4
83.08628	4.1
85.02885	3.0
85.06540	3.7
91.05494	27.3
93.07056	26.6
93.92459	0.9
95.04987	4.7
95.08624	19.3
97.02898	1.2
97.06537	3.0
97.10183	1.1
98.21513	1.9
99.04468	1.6
99.08092	1.3
105.07043	25.4
107.04928	0.9
107.07874	1.4
107.08604	27.7
109.06536	4.2
109.10168	47.2
113.06009	2.3
117.07010	3.0
119.08627	6.3
121.10157	9.0
123.08078	2.0
123.11717	7.5
127.07557	1.8
131.08566	3.6
133.10146	47.5
135.11699	6.3
137.09612	1.2
140.72986	0.9
143.08556	1.9
145.10118	3.5
147.11708	2.8
149.13225	3.3
151.11194	22.3
159.11687	2.8
161.09630	1.4
161.13191	1.1
163.14735	1.4
169.12222	4.9
173.13258	2.1
174.56406	1.0
179.10716	1.6
186.91777	0.9
189.84430	0.9
215.12784	3.1
243.21167	3.0
253.14380	100.0
254.14662	2.5
261.22122	10.6
271.15424	35.3
279.23349	1.0
283.15414	1.2
317.24841	1.5
323.25769	1.3
335.25821	33.1
336.26242	0.9
421.30829	1.0
439.32153	1.6
457.33307	2.4
513.35620	8.4
531.36853	39.1
549.37885	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.01867	4.7
55.05309	1.0
55.05519	11.1
57.03446	7.1
57.07069	1.0
61.02910	2.5
61.30568	0.9
65.03944	2.2
67.05511	53.9
69.03419	2.9
69.07074	10.9
71.05005	4.4
71.55293	1.4
71.55633	0.9
73.02923	0.9
76.68703	0.8
79.05502	25.9
81.03420	2.3
81.07066	47.1
83.04993	6.3
83.08622	4.7
85.02910	2.5
85.06543	5.1
91.04900	1.6
91.05489	32.8
91.33469	0.8
93.06480	1.6
93.07054	31.7
95.04986	6.3
95.08617	19.7
97.02884	1.5
97.06522	3.0
97.10159	1.9
99.04471	2.3
99.08050	1.1
103.05556	0.8
105.07040	27.4
107.07877	1.2
107.08605	29.3
109.06528	4.0
109.10167	47.0
113.06027	2.0
117.07005	3.4
119.08598	6.7
121.10160	8.6
123.08073	1.8
123.11695	9.1
125.09636	1.2
127.07537	2.8
128.06187	0.9
131.08588	4.9
133.10146	54.0
135.11691	6.3
143.08551	1.7
145.10120	3.5
147.11696	2.8
149.13249	3.5
151.11201	24.7
157.10191	0.8
159.11729	2.6
161.09648	2.2
161.13257	2.3
163.14836	1.2
169.12213	4.5
173.13246	1.1
179.10782	0.9
187.14854	1.5
215.12791	1.8
217.92834	0.8
243.21054	2.5
251.48235	0.9
253.14372	100.0
254.14699	1.7
261.22156	13.4
271.15417	29.1
304.42645	1.0
317.24753	2.0
335.25833	44.9
336.26154	2.3
348.23914	0.9
384.49298	1.1
439.32355	1.8
457.33112	1.2
492.39835	1.0
513.35864	5.9
531.36890	49.3
532.37073	2.8
598.62091	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
54.30053	0.4
55.01888	0.4
55.05504	1.5
57.03434	1.9
57.55790	0.4
59.04992	1.2
61.02932	3.6
67.05517	4.0
69.03437	2.7
69.07066	1.1
70.66759	0.5
70.67084	1.0
71.01368	0.5
71.05005	2.0
72.56727	0.4
73.02924	2.9
79.05488	3.0
81.03429	5.4
81.07063	3.8
83.04987	0.7
83.08621	1.7
85.02908	4.1
87.04461	0.4
91.03960	1.5
91.05480	3.7
93.07044	3.8
95.04983	2.3
95.08602	3.3
97.02907	4.3
97.06532	1.0
99.04465	0.6
101.02393	1.2
103.03854	0.4
105.07053	2.1
107.04965	1.4
107.08599	2.8
109.02875	1.0
109.06522	0.6
109.10182	1.3
111.04482	0.5
115.78373	0.4
117.07051	0.7
119.08600	1.4
120.08925	0.5
121.06513	0.4
121.10159	2.1
123.08097	0.6
123.11699	0.4
127.03948	1.4
129.07031	1.3
131.08585	1.7
133.10127	1.3
135.11719	2.6
145.10182	1.9
147.08069	0.4
147.11697	1.2
149.09581	1.9
157.10178	1.1
163.11177	3.9
172.39305	0.4
173.09610	0.5
175.11278	1.0
181.12294	0.7
193.12335	1.3
203.05399	0.5
209.02615	0.5
211.13271	0.6
219.09979	0.5
220.14227	0.5
225.14970	0.6
227.12772	2.6
243.08412	3.0
249.10994	6.6
267.09058	0.8
267.15945	1.1
268.16190	0.5
283.15216	3.0
285.10184	0.7
305.13602	1.7
339.17746	0.9
441.20987	0.6
448.27710	1.0
462.29401	1.0
467.18951	11.9
469.20444	0.6
500.02231	0.5
501.23099	13.2
649.36566	0.5
727.35132	100.0
728.35638	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	727.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73175	0.5
54.88962	0.5
55.01866	0.9
55.05512	1.7
57.03445	2.2
59.04992	0.7
61.02933	3.7
67.05508	3.9
69.03425	2.2
69.07048	1.0
69.52839	0.9
69.53257	1.9
71.05004	2.1
73.02909	3.7
73.77739	0.4
79.05502	3.3
81.03424	6.0
81.07054	3.8
82.03771	0.5
83.01372	0.6
83.04987	1.3
83.08640	1.5
85.02907	5.4
87.04489	0.7
91.03970	2.1
91.05482	3.3
93.07027	3.6
95.04983	1.9
95.08633	1.6
96.05306	0.4
97.02895	4.2
97.06549	0.8
99.04484	0.8
101.02391	2.1
105.07034	2.1
107.04965	1.1
107.08607	1.7
109.02869	0.8
109.06541	1.1
109.10175	1.2
111.04418	0.8
111.08075	0.7
117.07021	1.2
119.08600	2.2
121.10145	2.1
123.08076	1.1
127.03956	1.4
129.07050	0.9
131.08606	1.4
133.10153	0.8
135.11705	0.9
135.55754	0.4
137.09663	0.7
141.05409	0.5
145.10158	1.7
147.11736	1.4
149.09662	1.9
150.96236	0.5
154.24261	0.5
157.10149	0.8
159.11807	0.8
163.11211	1.2
165.09135	0.6
175.11235	1.0
181.12323	0.6
184.07336	0.8
193.12318	1.8
211.13260	0.5
243.08429	2.7
243.36813	0.5
255.15672	0.4
267.16016	1.3
283.15298	3.4
285.10425	0.5
306.24887	0.5
339.18051	0.9
430.26834	0.6
447.27448	1.6
448.27838	4.1
467.18884	7.1
501.23090	9.0
565.29742	0.7
623.55103	0.5
695.32251	0.7
707.28699	0.5
727.35120	100.0
728.35388	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	727.2085
Annotation	Isomollupentin 7,2''-di-O-glucoside
Peak:m/z	Relative Intensity
53.03934	1.1
55.01871	2.2
57.03440	9.3
58.09657	0.9
59.04991	1.6
61.02925	2.0
62.62726	0.9
65.03931	1.4
68.99783	1.3
69.03429	23.0
70.53796	0.9
71.46941	1.4
71.47268	1.2
73.02921	4.1
78.74504	1.0
80.39642	1.0
81.03419	2.0
85.02903	22.1
87.04474	8.4
91.05480	1.1
93.03414	2.2
97.02891	11.2
98.97588	1.2
100.95065	1.0
103.03937	1.8
109.02876	2.8
111.04488	1.1
115.03908	4.7
119.04947	5.0
121.02876	26.1
127.03934	1.9
131.72694	0.9
133.04958	1.6
134.36795	0.8
135.04420	1.7
139.03926	1.6
145.02884	4.1
161.02359	1.3
161.05896	1.0
163.03873	1.3
175.03905	1.9
176.01028	1.3
177.01819	2.2
177.05415	1.7
179.03336	2.4
187.03990	1.7
189.01794	5.8
190.02556	1.1
191.03375	4.5
195.02876	2.3
201.01892	1.3
201.05447	1.5
203.03406	6.5
205.05109	1.3
207.02861	5.3
212.64723	1.0
213.05508	1.1
215.03362	2.1
217.05046	2.4
219.02948	6.1
221.04411	1.7
227.03462	1.3
229.05008	2.9
231.02904	1.1
233.04564	1.2
239.03508	1.3
239.06961	1.1
242.39494	1.0
245.04410	1.8
257.04382	1.6
267.06665	3.6
268.07291	4.2
271.06064	3.3
279.06500	4.0
280.07297	2.0
281.05087	1.1
281.08011	6.0
283.06033	6.9
284.06851	2.1
285.04010	2.3
291.06516	3.2
293.08154	2.8
294.02042	0.7
294.05215	20.3
294.08170	0.8
295.06036	57.1
295.09308	2.4
296.06696	7.6
297.07520	8.7
307.06018	38.9
307.09488	2.5
308.06711	13.8
309.04120	2.3
309.07544	14.2
313.06921	6.9
317.07010	1.3
319.05997	6.1
319.09473	1.8
320.06674	2.3
321.07565	19.9
322.08353	10.6
323.05460	3.5
323.09235	2.9
325.07077	87.4
326.07428	1.8
333.07590	8.8
334.08334	1.2
335.05563	1.7
335.09119	10.2
336.06421	2.3
337.07071	59.8
338.07288	1.2
339.08563	2.4
345.07620	2.5
347.09152	8.1
349.07050	24.1
350.07410	1.4
351.04727	1.2
351.08624	22.1
353.06516	1.7
355.08124	20.9
357.07767	2.9
361.07080	14.3
361.10858	1.6
363.08624	6.0
365.06387	1.4
365.10242	11.4
367.08109	4.6
373.07089	6.2
375.08618	10.3
379.03235	2.3
379.08130	48.2
380.08517	2.5
385.06973	2.8
389.10162	3.0
391.08139	24.9
393.09613	2.2
397.08990	2.4
399.08411	1.2
403.08148	21.1
409.09213	31.9
410.09332	1.2
415.07990	2.5
417.09543	2.7
421.09146	20.7
427.10260	20.9
433.09494	2.2
439.10272	20.8
445.10452	5.4
457.11325	100.0
458.11722	3.9
463.10251	4.6
469.11093	1.8
475.12408	28.0
481.04996	1.7
481.11362	21.0
487.10779	1.9
493.11493	3.6
499.12375	15.3
505.11414	3.3
511.12427	25.6
523.12408	16.0
529.13367	9.2
541.13403	20.1
547.14392	2.1
559.14569	23.1
577.15515	46.7
578.15912	2.6
589.15601	1.7
595.15784	1.6
607.16321	5.1
631.17615	1.2
685.71674	1.1
691.18280	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.2
57.03441	3.0
61.02931	2.2
68.22146	1.7
69.03439	6.3
71.54592	2.9
73.02915	2.9
81.03426	3.6
85.02908	11.3
97.02909	5.0
107.04964	2.7
109.02859	2.4
114.02872	2.0
119.04963	8.4
121.02884	39.2
127.03967	2.5
135.04471	2.2
137.02341	2.3
139.03874	1.8
145.02878	5.8
151.03946	2.5
163.03900	3.9
177.01857	2.7
177.05373	2.1
187.03943	3.6
189.01849	9.3
191.03409	6.4
195.02863	6.7
201.01808	2.5
203.03381	14.2
207.02885	8.1
212.77754	1.7
215.03462	7.0
217.05022	4.0
219.02939	5.9
221.04408	3.6
227.03490	2.9
229.04968	4.2
231.02895	2.5
233.04460	3.7
241.04971	3.6
243.02922	3.8
245.04810	2.9
255.02896	3.3
257.04544	3.2
267.06683	3.7
268.07327	3.5
269.04364	2.5
279.06549	5.3
281.04532	3.6
281.07892	4.4
283.06027	7.7
284.02985	2.0
284.06812	4.2
291.06494	2.8
292.07309	2.5
293.08438	2.4
294.05212	21.8
295.06030	86.5
296.06891	10.5
297.07559	11.7
305.08124	2.7
306.08844	2.1
307.06024	71.3
307.09564	4.5
308.06656	18.1
309.04141	3.7
309.07593	20.5
313.06979	5.8
317.08008	3.7
319.06006	9.0
319.09534	3.0
320.06888	7.0
321.07590	49.0
322.08301	14.7
323.05777	3.6
323.09076	6.9
325.07086	91.7
333.07614	22.8
334.08411	5.0
335.05573	3.7
335.09113	19.7
336.06094	3.5
337.07071	83.6
337.11118	4.0
339.08740	3.4
345.07654	9.2
347.05563	2.7
347.09189	14.8
349.07123	65.2
349.11035	3.4
350.07648	4.3
351.04895	3.2
351.08713	28.4
353.06619	2.9
355.08173	12.3
357.07553	2.4
359.09064	4.3
361.07104	24.3
362.07703	2.2
363.08655	20.0
365.10291	7.5
367.08060	11.4
373.07126	6.2
374.07541	5.0
375.08691	16.8
377.10416	4.3
379.08142	100.0
380.08395	2.9
381.09601	2.6
385.07013	3.6
387.08707	5.6
389.10254	7.2
391.08160	48.2
393.09726	2.8
394.77130	2.0
397.09326	16.9
401.10550	2.8
403.08212	27.4
405.09641	6.7
409.09192	29.9
415.08163	10.6
417.09549	4.7
419.11401	3.0
421.09207	13.2
427.10388	29.8
429.09827	3.8
433.09207	29.9
439.10446	10.3
445.09134	17.4
451.10300	22.1
457.10941	18.4
463.10104	3.5
469.11658	12.8
475.10461	8.7
481.11310	9.4
487.12393	9.3
493.11224	19.7
497.11880	2.2
499.12234	8.0
511.12347	28.4
517.13556	5.2
529.13403	12.9
541.13513	20.2
547.14453	7.6
553.13275	6.2
559.14545	32.6
565.14679	2.3
571.14447	27.4
572.15009	2.6
577.15515	11.7
583.14337	6.8
589.15503	38.1
595.13928	3.5
601.15509	9.7
607.16479	21.2
613.15564	19.2
619.16553	35.4
631.16589	28.4
632.15833	2.3
637.16101	4.5
643.16693	30.5
655.16772	14.5
661.17896	20.6
673.17670	36.3
691.18683	36.7
709.19702	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	727.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74586	2.5
53.80197	3.4
54.08578	3.0
55.01869	7.8
57.03432	5.6
61.02924	9.7
69.03438	18.2
70.06597	2.7
71.55716	3.3
73.02899	5.9
81.03413	8.0
82.78992	2.5
84.08166	2.7
85.02912	39.0
96.34937	2.5
97.02884	13.4
99.04467	2.6
103.03942	9.7
109.02885	6.4
115.21159	2.8
119.04949	9.9
121.02879	36.8
127.03896	5.0
127.67710	2.7
131.04938	3.1
133.60959	2.8
145.02873	8.2
145.05013	3.3
177.01773	2.4
177.05476	2.9
179.03365	2.4
187.03883	3.3
189.01825	10.1
191.03391	9.6
195.02884	4.3
197.02763	2.8
203.03377	10.9
203.51373	2.8
207.02959	9.1
215.03354	3.1
217.05002	4.6
219.02876	5.7
221.04350	3.9
228.37889	2.7
229.05025	3.8
233.04506	4.2
267.06390	2.9
268.07224	5.4
279.06650	7.2
281.08124	4.8
283.05975	9.6
293.08179	4.6
294.05215	32.1
295.06024	83.8
295.09372	5.2
296.06656	8.2
297.07382	12.1
307.06027	74.9
307.09549	5.3
308.06854	20.1
309.07449	21.6
313.07062	7.1
319.06088	11.6
320.06705	6.7
321.07578	37.1
322.08133	12.6
323.05710	3.7
323.09335	7.9
325.07053	91.9
333.07721	21.3
334.08252	2.9
335.05756	3.2
335.09079	16.9
337.07083	94.7
337.11093	5.0
339.08630	3.4
345.07645	6.8
346.07831	3.5
347.09100	10.4
349.07114	52.2
351.08670	24.0
355.08133	21.4
361.07074	21.6
363.08636	17.9
365.10202	7.7
367.08109	11.3
373.06897	4.1
375.08856	12.3
379.08124	100.0
387.08569	6.3
391.08127	42.7
397.09268	33.5
401.10233	3.5
403.07953	20.0
405.09729	4.5
409.09149	47.3
415.10278	21.7
417.09744	4.7
421.09021	15.6
427.10352	68.7
429.09830	3.7
433.09195	17.1
439.10297	22.5
445.11346	89.3
451.10214	25.4
457.11359	34.5
463.10208	5.9
469.11462	33.6
475.10370	9.5
481.11307	54.3
493.11411	19.9
499.12408	55.2
511.12378	44.5
529.06287	3.5
529.13593	51.5
541.13007	5.1
547.14551	58.9
559.14624	3.6
565.15619	4.5
619.16193	5.0
692.44269	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	727.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74586	2.5
53.80197	3.4
54.08578	3.0
55.01869	7.8
57.03432	5.6
61.02924	9.7
69.03438	18.2
70.06597	2.7
71.55716	3.3
73.02899	5.9
81.03413	8.0
82.78992	2.5
84.08166	2.7
85.02912	39.0
96.34937	2.5
97.02884	13.4
99.04467	2.6
103.03942	9.7
109.02885	6.4
115.21159	2.8
119.04949	9.9
121.02879	36.8
127.03896	5.0
127.67710	2.7
131.04938	3.1
133.60959	2.8
145.02873	8.2
145.05013	3.3
177.01773	2.4
177.05476	2.9
179.03365	2.4
187.03883	3.3
189.01825	10.1
191.03391	9.6
195.02884	4.3
197.02763	2.8
203.03377	10.9
203.51373	2.8
207.02959	9.1
215.03354	3.1
217.05002	4.6
219.02876	5.7
221.04350	3.9
228.37889	2.7
229.05025	3.8
233.04506	4.2
267.06390	2.9
268.07224	5.4
279.06650	7.2
281.08124	4.8
283.05975	9.6
293.08179	4.6
294.05215	32.1
295.06024	83.8
295.09372	5.2
296.06656	8.2
297.07382	12.1
307.06027	74.9
307.09549	5.3
308.06854	20.1
309.07449	21.6
313.07062	7.1
319.06088	11.6
320.06705	6.7
321.07578	37.1
322.08133	12.6
323.05710	3.7
323.09335	7.9
325.07053	91.9
333.07721	21.3
334.08252	2.9
335.05756	3.2
335.09079	16.9
337.07083	94.7
337.11093	5.0
339.08630	3.4
345.07645	6.8
346.07831	3.5
347.09100	10.4
349.07114	52.2
351.08670	24.0
355.08133	21.4
361.07074	21.6
363.08636	17.9
365.10202	7.7
367.08109	11.3
373.06897	4.1
375.08856	12.3
379.08124	100.0
387.08569	6.3
391.08127	42.7
397.09268	33.5
401.10233	3.5
403.07953	20.0
405.09729	4.5
409.09149	47.3
415.10278	21.7
417.09744	4.7
421.09021	15.6
427.10352	68.7
429.09830	3.7
433.09195	17.1
439.10297	22.5
445.11346	89.3
451.10214	25.4
457.11359	34.5
463.10208	5.9
469.11462	33.6
475.10370	9.5
481.11307	54.3
493.11411	19.9
499.12408	55.2
511.12378	44.5
529.06287	3.5
529.13593	51.5
541.13007	5.1
547.14551	58.9
559.14624	3.6
565.15619	4.5
619.16193	5.0
692.44269	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75610	1.1
53.03946	4.5
53.66735	0.8
55.01867	1.9
55.05268	1.3
55.05516	20.2
57.03445	14.1
57.07069	1.3
61.02934	5.3
65.03934	3.3
66.90601	0.8
67.05511	70.8
69.03436	1.2
69.06730	1.5
69.07074	20.7
71.04990	3.6
71.08627	1.1
71.55408	1.0
73.02897	1.3
79.05500	47.6
81.03407	2.9
81.07063	80.1
83.04980	4.0
83.08624	13.6
85.02902	4.1
85.06547	3.3
91.03953	1.7
91.05486	26.4
93.07054	55.9
95.04963	5.0
95.08616	39.3
97.02901	2.5
97.06533	7.2
97.10159	1.9
99.04440	1.0
99.08109	0.9
105.04494	1.1
105.07041	13.6
107.08600	28.3
109.06506	2.2
109.10167	13.1
111.08080	4.8
113.09674	1.0
117.07027	6.7
119.08577	10.2
121.06558	1.9
121.10155	18.0
122.10440	1.3
123.11739	6.2
125.09650	1.6
131.08565	12.3
133.10133	15.9
135.08049	1.2
135.11703	13.7
137.09599	1.1
145.04919	1.1
145.10133	6.2
147.11717	4.5
149.13271	12.9
151.11179	2.0
157.10161	1.2
159.11696	8.1
161.13264	2.6
163.14828	3.1
170.21867	1.0
173.11937	0.9
173.13295	4.0
177.12770	3.3
179.14343	1.1
184.07237	1.5
187.14850	1.6
195.13826	10.2
213.14764	1.1
243.21089	2.0
261.22095	8.5
267.16019	1.9
269.17493	65.9
270.17828	1.4
291.22968	1.1
293.21191	1.5
317.24683	2.2
325.92548	1.0
335.25821	100.0
336.26385	1.5
437.34256	2.0
455.34863	1.6
529.38940	90.4
530.38971	3.4
726.45984	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
53.31784	0.8
55.05517	16.2
57.03442	13.2
57.07072	2.4
61.02922	2.9
65.03950	1.8
67.05512	64.8
67.24554	1.2
68.05833	0.9
69.07079	19.3
71.04987	3.4
73.02914	1.3
79.05501	42.2
81.03426	2.3
81.07064	72.7
83.04995	4.9
83.08630	11.2
85.02896	2.6
85.06544	3.2
91.03983	1.0
91.04967	1.5
91.05488	18.7
93.07053	57.0
95.04967	4.5
95.08617	34.7
97.02918	1.5
97.06559	7.4
97.10152	1.4
98.21540	2.2
99.04456	1.0
99.08048	2.2
105.04550	1.2
105.07037	12.0
107.08606	30.1
109.06515	2.8
109.10164	9.6
111.08096	4.6
113.09738	1.0
117.07011	7.3
119.08573	6.9
121.10154	21.8
123.11695	4.1
124.42143	0.9
131.08594	10.0
133.10143	9.5
135.08104	1.5
135.11711	10.4
145.10130	3.0
147.11678	5.2
149.13278	25.2
157.10150	1.1
159.11708	11.8
161.13275	2.8
163.14853	3.1
170.02063	1.1
173.13235	2.2
177.12770	4.7
179.31155	1.0
195.13841	7.8
222.96486	1.0
242.75142	1.2
243.21072	3.7
253.17926	1.1
261.22137	10.4
267.15973	2.1
269.17502	94.1
270.17810	2.7
281.49048	1.2
309.80759	1.1
317.24750	1.8
335.25833	66.3
336.26193	2.3
511.37823	1.3
512.75684	1.1
516.82043	1.1
529.38953	100.0
530.39301	4.0
547.39990	1.3
557.27954	1.2
726.44226	2.0
742.96570	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01865	2.5
55.05521	6.5
57.03447	3.6
57.07077	0.8
57.51189	0.6
59.05005	0.7
61.02931	1.5
67.05513	30.2
69.03418	2.5
69.07080	3.5
70.94212	1.6
71.04655	0.8
71.05000	11.0
71.52512	0.7
79.05506	13.7
81.03426	21.0
81.07070	13.9
83.04970	2.7
83.08627	8.0
85.02902	2.6
85.06564	1.1
91.03994	1.0
91.04977	1.3
91.05493	14.3
93.07059	13.6
95.04976	12.4
95.08614	8.8
97.02895	2.3
97.06532	2.8
97.10172	3.9
99.08105	1.1
105.04489	1.1
105.07050	8.6
107.04968	6.7
107.08598	8.0
108.08105	1.1
109.06538	7.5
109.10160	22.5
111.04456	1.1
111.08089	3.2
115.05447	1.0
117.07043	4.3
119.08596	9.5
120.08073	0.7
121.06522	6.8
121.10158	4.6
123.08068	2.2
123.11711	1.3
125.09669	3.7
127.03905	0.8
128.32864	0.7
129.07028	4.3
131.04903	0.8
131.08594	6.7
132.08035	0.8
133.06505	1.5
133.10147	4.1
135.08057	4.1
135.11729	4.0
137.09644	4.7
138.09157	0.8
141.07007	0.9
143.08577	2.1
145.06490	3.4
145.10118	4.7
146.06001	0.8
147.08057	2.2
147.11688	4.2
147.22696	0.8
149.09723	3.4
151.07526	0.8
151.11188	0.7
155.08575	1.3
155.10683	0.7
157.06441	0.8
157.10078	3.8
159.08093	1.5
159.11751	1.0
161.09700	1.3
163.11234	4.0
164.07118	1.0
165.12756	1.2
167.08595	0.8
167.10667	1.4
169.10144	1.0
171.08174	1.1
171.11609	0.9
173.09567	1.0
173.11761	2.3
173.13219	1.7
175.11183	3.9
177.05559	0.7
177.12749	1.4
181.10304	0.6
183.11674	1.0
185.13260	2.0
187.11171	0.8
189.11224	1.2
191.14378	2.0
193.12273	5.2
199.11302	1.1
203.10667	1.1
203.14462	1.4
205.12328	0.9
211.13312	0.9
219.13882	4.1
229.12309	0.8
229.14388	1.0
243.15968	1.2
249.14928	1.0
267.15942	10.1
268.16272	2.8
274.18005	0.8
275.16443	1.2
285.17184	1.5
287.18533	5.1
311.19879	1.2
329.21115	5.6
337.21878	1.2
347.22324	1.0
355.22699	2.7
357.24506	1.1
373.23596	1.5
403.24951	3.8
411.25241	1.2
421.25937	15.9
426.26425	1.4
429.26407	9.1
444.27768	1.1
447.27472	100.0
448.27802	4.0
461.29083	3.5
479.30026	5.7
546.30652	3.5
564.31805	15.4
565.31836	1.3
587.31781	1.0
605.32855	1.0
726.36298	1.3
727.35089	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	725.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.05315	1.5
55.05519	17.8
57.03444	10.7
59.78625	1.9
63.18509	1.8
65.03954	3.2
67.05511	53.4
69.07073	20.4
69.96236	1.7
71.55049	2.1
79.05494	32.7
81.07064	83.7
83.04981	4.8
83.08633	10.0
85.06554	4.3
91.05491	31.8
93.07052	35.8
94.53355	2.1
95.04966	5.2
95.08611	35.7
97.06526	6.0
97.10120	2.4
99.08092	4.2
105.07041	31.6
107.08611	21.6
109.06533	5.2
109.10147	12.0
111.08162	2.2
117.07045	2.9
119.08588	25.2
121.10152	27.2
122.05791	1.8
122.46693	1.7
123.08080	5.0
123.11716	17.9
124.20175	2.1
129.07019	2.6
131.08594	9.1
133.10141	7.3
135.11728	9.8
145.10133	7.7
147.11708	45.5
148.11995	1.8
149.13231	2.9
151.82071	1.8
157.10133	2.7
159.11705	4.6
161.13293	3.3
163.14911	2.1
165.12781	19.7
172.96414	2.2
173.13264	3.6
184.07324	7.4
229.14415	4.4
243.21092	4.3
247.16948	1.8
261.22189	11.4
267.13071	2.5
267.15939	51.4
285.16986	52.5
317.24756	2.0
323.92395	1.9
332.69583	2.2
335.25827	100.0
336.26099	3.2
425.30585	2.1
464.50031	1.9
510.89011	1.9
527.37268	2.7
545.38452	43.2
553.20056	2.0
610.75616	2.1
698.71912	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
53.32612	0.4
55.01873	0.6
55.05518	2.5
57.03431	1.9
59.05001	1.4
61.02705	0.4
61.02938	4.4
65.03911	0.4
67.05511	6.8
69.03429	3.0
69.07078	1.5
70.51447	0.8
70.51811	0.8
71.04993	1.8
73.02923	2.3
78.09872	0.4
79.05502	6.0
81.03423	3.9
81.07058	5.3
82.07386	0.6
83.04986	1.2
83.08618	1.9
85.02911	3.7
87.04453	1.2
91.03974	2.2
91.05489	4.7
93.07037	4.2
95.04952	2.2
95.08640	2.7
97.02898	3.4
97.06553	1.4
97.10161	0.8
99.04469	1.2
101.02377	1.4
105.07042	3.4
107.04920	1.0
107.08620	2.0
109.02888	0.6
109.06528	0.8
109.10152	2.1
111.08120	0.5
117.07030	0.7
119.08582	2.6
121.06512	0.7
121.10191	2.1
123.08081	0.8
127.03940	1.2
129.07019	1.5
131.08626	1.8
133.10146	2.3
143.08632	0.5
145.10184	0.6
147.11696	2.8
149.09627	2.2
157.10164	1.3
161.13319	0.6
171.11769	0.7
173.04680	0.5
175.11249	1.0
183.01039	0.4
193.12265	1.3
197.15472	0.6
199.66937	0.6
203.05341	0.7
225.15051	0.7
229.14406	1.3
230.14769	0.5
243.08405	2.0
244.38942	0.4
247.13277	0.7
267.09088	0.5
267.16071	1.0
269.17685	1.2
270.17944	0.9
283.15216	2.9
339.17987	0.9
423.27463	0.7
424.27701	2.0
465.21042	8.6
501.23080	10.8
502.23575	0.7
691.41101	0.6
725.37225	100.0
726.37659	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	724.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.1
55.01877	2.6
55.05513	23.3
57.03437	19.5
57.07063	4.3
61.02923	5.6
65.03957	3.0
66.81431	2.4
67.05508	69.8
69.03433	6.5
69.07070	21.0
71.05004	4.7
71.55826	3.6
77.03906	2.5
79.05494	48.8
81.03425	97.3
81.07060	69.5
83.04977	7.2
83.08623	29.3
85.02897	4.7
85.06541	2.9
91.05488	38.0
93.07054	46.3
95.04982	32.1
95.08057	3.6
95.08614	42.5
97.02896	5.7
97.06529	4.1
97.10177	8.1
99.60704	2.1
105.07042	38.2
107.04940	8.5
107.08604	30.6
109.06516	4.6
109.10178	20.8
111.08099	7.0
115.05493	2.1
117.07024	9.4
119.08580	25.0
121.06528	5.1
121.10143	21.3
121.17292	2.2
122.46362	2.7
123.11720	6.6
125.09608	4.3
129.07005	12.1
131.08553	20.7
133.10168	17.7
135.11690	11.0
137.13248	2.9
145.10130	8.0
147.08012	3.2
147.11703	14.0
149.09619	6.1
149.13278	6.2
157.10120	12.5
159.11728	7.2
161.13239	6.1
163.14795	2.9
165.12823	3.5
173.13327	7.0
175.11160	7.9
175.14760	2.3
189.11113	2.8
193.12227	24.7
211.13284	3.3
225.56410	2.2
227.12790	7.5
235.13310	5.7
243.21071	6.6
249.14958	3.5
259.28180	2.3
261.22205	20.0
267.15933	100.0
273.14877	2.3
301.14514	3.1
301.25394	4.8
309.17087	3.0
317.24924	3.7
335.25809	94.0
435.32700	3.4
453.33395	6.8
481.99219	2.8
527.37250	49.8
542.76398	2.5
544.40625	3.5
545.38623	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	724.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.2
53.56481	1.1
55.01876	2.8
55.05521	10.4
57.03441	11.3
65.03937	1.4
66.63808	1.1
67.05511	15.2
69.03429	4.0
69.07063	4.6
70.93658	2.4
71.04991	4.1
79.05502	15.3
81.03423	74.6
81.07059	14.5
83.04990	7.6
83.08624	19.9
85.02896	8.9
85.06586	1.7
87.04500	1.3
90.64587	1.2
91.05499	22.0
93.07045	9.8
95.04977	22.4
95.08593	5.9
95.39169	1.2
96.08878	1.1
97.02893	2.1
97.06536	2.3
97.10164	4.4
105.07038	15.0
107.04980	5.6
107.08607	6.2
109.06540	5.9
109.10169	3.1
111.04411	1.9
111.08086	9.7
117.07052	3.0
119.08586	12.7
121.06509	4.7
121.10178	5.9
123.08083	3.5
125.09644	3.0
129.06995	11.4
131.08577	10.1
133.06473	2.8
133.10133	6.5
135.11678	1.4
142.07764	2.2
143.08551	1.3
145.06525	4.6
145.10124	1.9
147.08083	2.9
147.11674	9.6
149.09653	4.0
157.10139	11.5
163.11243	2.4
175.11192	11.1
178.18954	1.0
183.11813	1.1
193.12256	33.1
195.11717	1.7
204.58971	1.1
211.13286	14.7
229.14345	1.6
255.13737	2.2
267.15927	100.0
268.16183	1.7
273.14801	2.6
285.16974	15.1
349.21658	2.9
367.22693	10.4
385.23669	11.0
401.48715	1.3
403.24820	3.4
409.98788	1.4
415.24518	1.7
433.25946	13.5
441.26242	6.0
459.27457	67.8
460.27701	1.3
477.28503	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	724.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81540	0.7
53.03933	2.5
55.01860	2.2
55.05276	0.6
55.05518	8.7
57.03439	7.9
57.07083	0.8
61.02922	1.0
61.04627	0.7
65.03927	1.1
67.05509	24.4
67.05872	1.2
69.03442	1.6
69.07076	9.0
70.14696	1.5
70.15072	1.6
71.04982	3.7
77.39613	0.6
79.05497	14.3
80.96661	0.7
81.03423	41.6
81.07059	45.7
83.04989	5.5
83.08620	14.3
85.02909	2.7
85.06532	3.2
91.05489	20.5
93.07041	13.2
95.04972	13.1
95.08052	1.0
95.08610	11.5
97.02887	3.0
97.06561	3.7
97.10172	2.5
99.08086	2.8
105.07033	24.1
107.04941	3.3
107.08603	10.7
109.02888	0.8
109.06511	4.5
109.10159	5.7
111.04433	2.4
111.08093	5.2
113.05961	1.2
115.05444	1.1
117.07024	2.6
119.04955	0.9
119.08586	20.4
121.06505	2.3
121.10154	14.1
123.08074	3.7
123.11713	15.2
125.09591	1.9
127.07560	1.2
129.05525	1.5
129.07002	5.7
131.08585	5.2
133.06464	1.7
133.10136	6.3
135.08046	0.9
135.11682	2.1
137.09592	1.9
137.13216	0.8
139.65776	0.8
141.09120	0.9
142.07780	1.4
145.10124	2.8
147.08055	1.9
147.11693	38.1
148.12050	1.1
149.09605	2.3
149.13191	0.8
151.11279	0.8
153.12669	0.7
157.10139	6.2
163.11182	2.8
165.09192	1.0
165.12752	15.6
166.65721	0.7
173.11771	1.2
175.11165	5.9
177.12793	0.9
183.13846	0.9
188.48558	0.6
191.10686	1.4
193.12265	15.6
209.11749	2.3
211.13304	2.8
227.12759	2.1
229.14359	3.4
249.14912	1.1
267.15924	100.0
268.16309	2.4
269.17377	1.4
283.15433	2.2
285.16974	53.6
286.17337	1.1
301.16455	2.0
309.16827	0.9
385.23981	1.5
403.24969	1.1
456.94171	0.7
459.27414	10.2
477.28491	60.0
478.28708	2.4
495.29477	1.9
505.42929	0.8
519.29736	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.7
53.04413	2.5
55.05515	28.7
57.03429	9.0
57.07077	4.0
65.03941	6.3
67.05511	82.4
69.03438	12.3
69.07064	14.7
71.04987	23.0
73.88293	2.6
79.05492	43.1
81.03424	26.0
81.07065	100.0
83.04990	20.9
83.08620	8.1
85.02908	5.1
85.06534	8.6
91.05485	46.5
91.06023	4.6
92.60332	2.7
93.07047	48.2
95.04992	7.2
95.08607	34.8
97.02910	6.6
97.06554	5.1
97.10170	5.6
99.04502	3.9
99.08105	2.5
105.07041	27.4
107.04961	3.8
107.08588	27.7
109.06525	4.9
109.10162	19.9
111.04440	4.8
117.07012	9.1
118.58297	2.5
119.08599	13.8
121.10141	17.8
123.11700	17.4
127.03914	2.4
129.05478	9.1
129.07022	5.7
131.08618	12.7
133.01561	2.6
133.06512	2.5
133.10132	21.6
135.08101	2.6
135.11690	12.5
137.13289	3.0
142.07851	2.0
143.08578	4.3
143.66284	2.6
145.10129	7.9
147.04436	2.8
147.08018	3.6
147.11681	11.1
149.13258	7.3
150.78613	2.1
151.11183	6.9
157.10202	2.9
159.11726	10.0
161.13280	4.1
171.11754	2.9
173.04482	10.0
173.13258	4.7
177.12703	5.2
182.36665	2.7
183.13834	3.5
184.07307	4.1
187.13312	10.0
201.14821	2.8
215.17490	2.7
243.15979	5.8
261.22287	6.4
267.15900	2.9
269.17502	7.9
316.91199	2.9
335.25766	27.5
369.24576	3.9
405.26630	3.9
413.21753	3.3
445.24155	3.7
458.34528	2.6
479.29883	3.0
503.37265	42.4
505.39069	14.1
517.38586	3.8
529.38739	8.8
561.41626	34.4
661.40656	2.8
673.43256	5.1
705.45288	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	723.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.3
55.05508	30.1
57.03437	8.6
57.07076	3.0
67.05510	92.3
69.03429	9.7
69.07086	19.4
69.07397	5.2
69.57742	20.0
71.04998	22.8
79.05499	49.2
81.03427	23.2
81.07062	100.0
83.04990	28.6
83.08614	13.7
85.02917	5.4
85.06552	6.0
91.05481	43.0
93.06498	3.9
93.07046	45.6
95.04953	7.9
95.08605	32.4
97.02919	3.2
97.06518	10.8
97.10186	6.5
98.20847	6.9
98.21460	7.3
101.41119	3.0
105.07043	28.1
107.08586	19.3
109.02905	3.9
109.06543	5.5
109.10169	19.5
111.04403	4.4
111.08096	3.4
117.07051	10.5
119.08605	20.3
119.47609	3.5
121.10140	19.3
123.11701	14.5
129.05501	10.6
129.07002	4.3
131.08553	17.1
133.10139	24.5
135.11691	11.9
145.10124	9.0
147.11665	14.0
149.09645	4.0
149.13243	4.4
151.11179	7.6
157.10112	5.8
159.11697	11.0
161.13324	5.0
163.11188	3.9
169.10120	3.2
171.11702	5.7
173.04483	7.6
173.13316	5.9
177.12808	3.6
179.14366	4.5
183.13853	4.2
187.13339	9.6
189.62659	3.2
195.13954	4.8
201.14854	4.5
225.14751	3.7
243.15886	8.1
259.20532	4.3
269.17444	10.2
335.25806	28.2
401.57056	3.4
445.24347	10.0
454.21078	3.4
503.37219	41.0
505.38852	7.4
517.38562	9.2
529.38696	10.0
561.41632	30.9
578.34705	4.0
673.42957	3.8
705.45557	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	723.4291
Annotation	Antanapeptin D
Peak:m/z	Relative Intensity
53.03948	0.5
55.05513	1.0
57.03432	1.7
57.07081	2.9
61.02930	3.4
63.72144	0.3
67.05508	1.7
69.03439	2.8
69.07086	1.2
71.01344	0.6
71.04994	0.4
71.08633	2.0
71.55061	0.4
71.55435	0.5
71.66078	0.3
72.02319	0.4
73.02918	2.8
79.05504	1.3
81.03419	1.1
81.07079	3.3
83.08628	1.3
85.02910	3.5
85.10159	1.0
87.04448	0.4
89.39342	0.4
91.03976	1.9
91.05476	0.6
93.07034	2.3
95.05010	0.5
95.08614	3.9
97.02914	3.1
97.10188	0.5
97.82388	0.4
99.04508	0.8
101.02391	1.6
105.07045	1.1
107.08607	1.7
109.02930	0.4
109.10165	1.0
117.07053	0.5
119.08592	0.7
121.10164	0.8
123.11751	0.4
127.03946	0.9
133.10172	0.6
133.45413	0.4
135.11703	2.8
145.10181	1.8
156.23593	0.4
163.11182	4.2
164.04193	0.4
164.06415	0.4
181.12244	0.6
184.07422	0.9
185.04292	1.0
203.05391	0.5
203.97142	0.4
219.09888	0.7
227.12767	2.7
243.08382	1.9
244.99680	0.5
249.10995	8.0
305.13647	2.1
313.27487	0.9
323.81723	0.4
428.82846	0.4
447.75653	0.4
459.84552	0.4
467.18903	10.2
497.30820	5.1
723.42902	100.0
724.43170	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	723.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71053	0.4
55.05514	1.0
57.03438	1.4
57.07084	3.0
61.02932	3.6
67.05503	2.9
69.03440	2.7
69.07068	1.1
71.05007	0.7
71.08633	3.0
71.56049	0.6
73.02926	3.2
76.48046	0.4
79.05503	1.0
81.03420	1.1
81.07061	2.4
83.08624	1.4
85.02916	4.0
85.10191	1.5
91.03973	1.8
91.05478	0.9
93.07066	2.5
95.04987	0.5
95.08627	3.8
97.02909	3.0
97.10194	0.6
99.04506	0.8
101.02406	1.5
105.07030	0.9
107.04929	0.4
107.08606	1.4
107.48821	0.4
109.02929	0.6
109.10123	0.8
117.07053	0.7
119.08595	0.9
127.03978	1.1
129.07903	0.5
135.11703	2.3
139.51735	0.4
145.10167	1.7
163.11194	2.9
185.04251	0.9
186.91592	0.4
203.05313	0.6
219.09996	0.8
226.43028	0.4
227.12708	2.3
239.23787	0.4
243.08389	2.6
249.11002	7.9
305.13638	2.7
313.27509	1.0
436.87369	0.5
467.18973	10.7
497.30948	6.9
723.42908	100.0
724.43243	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	723.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89646	0.4
56.96572	19.5
67.05498	1.0
69.07080	0.5
69.97552	2.2
71.95271	2.7
72.96024	1.8
78.45394	0.4
79.05499	0.7
81.03414	2.9
81.07037	1.5
83.08597	0.7
84.96017	0.7
85.02892	0.5
88.97509	0.5
91.05478	0.8
93.07037	1.0
95.04948	1.2
105.07021	0.9
107.08607	0.8
110.97563	0.5
119.08503	0.5
124.66816	0.5
125.09632	0.7
127.00660	0.9
128.98628	0.8
131.08551	0.5
137.02779	0.7
139.00648	0.8
141.02196	1.1
146.99736	0.6
153.02203	0.6
155.03752	0.8
159.03276	0.9
167.03853	0.5
169.05411	0.8
171.03310	1.4
185.04861	1.4
189.04404	1.3
193.12213	1.2
195.06851	0.7
199.02867	1.2
203.02271	0.6
203.05974	1.3
211.06389	1.7
217.03819	1.0
217.07349	0.6
221.08415	0.5
223.10045	5.9
237.08052	0.5
241.11133	63.4
242.11404	1.3
249.08008	1.5
255.08981	0.6
259.12198	54.4
260.12576	0.8
264.12759	3.1
267.09024	10.3
267.15906	3.5
282.13776	1.9
285.10114	41.1
286.10593	0.9
303.07578	0.8
303.11176	17.8
303.14737	0.9
308.08380	0.5
308.11588	2.2
326.12704	1.3
459.27417	3.1
477.28604	2.3
495.22711	100.0
496.23041	3.3
540.37427	0.5
625.65137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.4
53.03946	0.7
55.01871	0.7
55.05513	2.0
55.87630	0.4
57.03448	2.5
61.02927	4.3
63.44830	0.4
64.61547	0.4
65.03944	0.5
67.05510	10.0
69.03431	3.4
69.07072	1.8
71.05006	0.9
73.02926	3.2
79.05502	3.1
81.03416	2.6
81.07070	5.5
83.04985	0.7
83.08618	0.9
85.02911	4.1
85.06535	0.4
86.13999	0.4
87.04475	0.5
91.03945	2.7
91.05479	3.5
93.07069	3.1
93.67468	0.4
95.04988	0.9
95.08607	2.0
97.02898	3.9
97.06542	0.8
99.04479	0.9
101.02387	1.7
105.07042	2.6
107.04978	0.5
107.08602	1.9
109.10164	7.9
111.08060	0.5
117.07018	1.0
119.08591	1.8
121.10173	1.3
123.11726	0.5
127.03947	1.7
131.08595	0.9
133.10138	1.5
133.74796	0.4
135.11766	0.7
142.71849	0.4
143.08621	0.6
145.10164	0.5
147.11702	0.7
149.09608	0.4
155.10580	0.7
159.11722	0.8
173.11768	1.7
185.04321	0.7
187.45624	0.5
193.12396	0.5
195.10036	0.9
229.14450	1.3
229.32344	0.6
243.08374	2.9
251.12561	0.5
289.36392	0.4
332.19159	0.5
333.20419	1.4
335.52249	0.5
413.17807	10.1
439.19565	0.7
453.21234	0.5
489.12155	0.4
543.36694	0.7
551.28418	5.5
701.64777	0.5
723.39270	100.0
724.39709	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	722.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.6
55.01874	2.2
55.05513	8.4
55.48509	0.6
57.03443	9.3
61.02932	1.0
67.05511	13.8
69.03430	2.7
69.07072	4.6
71.01353	0.9
71.04988	2.2
73.02910	1.4
73.68814	0.8
79.05499	21.9
79.41824	0.7
81.03424	46.9
81.07066	15.7
82.03711	0.7
83.04989	4.4
83.08624	13.9
85.02910	2.2
91.05483	12.6
93.07052	23.7
95.04977	16.5
95.08616	21.1
97.02901	4.6
97.06530	3.7
97.10152	2.0
99.04472	2.3
105.07042	11.7
107.04967	9.4
107.08605	17.3
109.06532	1.9
109.10172	2.5
111.04453	2.4
111.08086	4.3
111.81113	0.7
113.06008	1.1
115.05438	1.2
117.07016	6.1
119.08586	13.6
121.06528	5.2
121.10153	12.1
123.04428	0.8
123.08050	1.4
125.06019	1.7
125.09616	1.4
127.03833	0.8
127.07538	1.1
129.05420	0.7
129.07022	5.0
131.08597	4.8
133.06497	2.0
133.10155	4.3
135.08041	1.7
135.11710	28.3
137.09575	0.9
139.07523	1.9
142.07814	1.4
145.06482	0.9
145.10132	18.4
147.08020	2.0
147.11696	4.1
149.09630	3.0
153.12769	1.1
157.10133	6.3
163.11191	43.1
165.12816	1.2
173.09596	1.0
175.11220	6.9
181.12262	7.9
191.10716	1.1
193.12262	12.9
211.13261	3.6
223.13411	1.3
227.12791	42.3
241.14400	0.9
249.14844	1.3
267.15936	92.5
268.16293	1.1
283.15414	54.0
285.16980	1.7
383.22229	0.8
401.23300	0.8
457.25919	2.6
475.26956	100.0
476.27075	4.3
493.28061	3.1
507.29764	1.4
517.28040	1.4
525.30499	2.5
535.09814	0.8
542.35529	0.7
652.03967	0.8
665.22162	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.6
53.25257	3.1
55.01880	3.0
55.05515	26.5
57.03435	9.7
57.07073	3.8
65.03959	4.2
67.05507	72.1
69.07063	19.5
69.60871	2.8
71.05009	4.0
79.05497	83.9
81.03417	11.0
81.07059	68.5
83.04984	12.7
83.08614	12.3
85.06541	6.8
89.50609	3.1
91.04914	4.5
91.05482	63.8
93.07043	83.9
95.04965	20.4
95.08611	42.7
97.02856	3.5
97.06522	7.3
97.10156	4.7
105.04502	4.3
105.07027	47.8
107.04969	5.7
107.08605	31.6
109.06548	3.9
109.10163	15.8
117.07032	11.8
119.08574	26.2
121.10134	14.3
123.08044	6.9
125.09663	3.1
129.06987	14.7
131.08578	9.4
133.10138	13.8
135.11685	6.7
143.08574	7.2
145.10100	14.8
147.11684	35.9
159.11713	5.4
161.09593	3.5
161.13268	10.0
171.11681	26.3
189.12741	12.0
207.13797	26.1
214.02255	2.9
225.14653	4.5
248.54613	3.0
261.22150	4.0
281.17505	54.9
304.35437	3.4
335.25836	59.8
353.19107	3.1
515.51025	3.5
541.38953	100.0
628.97980	4.0
721.47681	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	722.396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
54.45755	0.7
55.01875	5.1
55.05269	0.8
55.05515	12.4
56.92802	0.7
57.03199	0.6
57.03440	9.7
59.04996	1.1
67.05509	17.7
69.03413	2.9
69.07069	5.1
70.25092	2.6
71.01366	1.0
71.04985	2.7
79.05070	1.2
79.05500	18.7
81.03422	44.9
81.07065	15.5
83.01335	2.4
83.04990	8.2
83.08129	1.4
83.08620	14.3
85.02895	3.3
85.06522	0.9
91.03961	0.9
91.05485	17.1
93.06465	1.3
93.07043	15.9
95.04977	16.2
95.08611	7.8
97.02888	2.9
97.06540	2.7
97.10172	6.0
99.04467	0.9
99.08089	0.9
105.07033	12.0
107.04963	9.3
107.08604	7.9
109.02913	1.3
109.06515	4.7
109.10146	3.1
111.04434	2.6
111.08065	4.4
115.05479	1.1
117.07026	4.4
119.04940	1.4
119.07792	1.2
119.08588	11.3
119.09372	1.3
121.06516	4.2
121.10159	7.0
123.04426	0.9
123.08077	5.9
125.06023	1.1
125.09633	5.4
127.03932	0.9
128.06250	0.8
129.07011	4.7
130.07845	1.0
130.90521	0.6
131.04948	0.9
131.08566	6.2
133.06488	2.9
133.10136	4.1
135.04385	0.8
135.08072	3.0
135.11684	5.1
137.09644	2.1
141.07014	1.0
142.07687	1.4
143.08542	1.4
145.06511	2.1
145.10104	9.0
145.15996	0.7
147.04395	0.8
147.08073	3.9
147.11705	4.5
149.09619	4.2
153.12752	2.5
155.08640	1.4
157.10132	5.0
159.08125	1.1
159.11790	0.8
161.05968	4.4
161.09615	1.7
163.07498	0.7
163.11183	11.9
171.08022	1.1
173.09625	3.9
175.07646	0.9
175.11172	4.5
181.12238	1.4
183.08017	0.8
185.09599	0.8
185.13358	0.8
187.11127	0.7
189.09244	0.8
189.11255	2.4
191.10721	2.5
193.12263	10.9
203.14371	0.9
205.12234	1.1
209.11710	3.5
211.11252	1.2
211.13275	2.3
213.12848	1.2
225.12918	1.1
227.12737	3.9
231.13887	2.6
235.11102	1.1
243.13768	0.9
249.14964	1.6
257.15228	0.8
259.13287	0.7
267.15924	26.7
268.16208	1.4
269.15472	1.2
271.13394	0.8
273.14963	1.1
283.15408	23.6
285.17142	1.1
289.14407	2.6
337.21747	0.8
355.22678	1.5
365.21185	2.6
383.22192	17.4
384.22473	0.9
401.23276	7.9
407.24530	0.7
419.24551	2.4
439.24850	2.3
457.25867	29.4
475.26959	100.0
476.27466	4.1
493.28009	10.2
517.28192	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.0
51.96388	1.5
53.03940	6.1
55.01873	2.4
55.05517	14.5
57.03424	5.3
59.06119	4.8
65.03932	5.1
67.05508	54.1
69.03412	1.8
69.07072	14.0
71.04996	1.7
79.05496	55.7
81.03413	5.3
81.07059	48.2
81.76868	1.7
83.04987	8.2
83.08615	7.6
85.06567	2.6
85.07650	6.7
91.05487	41.7
93.07047	63.6
93.07636	3.4
95.04993	11.9
95.08070	2.0
95.08619	32.0
97.06499	4.2
97.10186	1.9
105.04499	2.0
105.07037	30.3
107.04939	4.2
107.08599	21.5
109.06522	4.3
109.10157	12.2
111.08070	3.2
117.07007	6.6
119.08584	19.8
121.10159	13.8
123.08056	3.9
123.11720	3.8
127.07523	2.0
129.07018	11.7
131.08553	6.4
133.06464	1.7
133.10172	7.6
135.11693	6.7
143.08560	4.3
145.10138	9.7
147.11691	23.1
149.13269	4.4
156.09370	2.0
159.11682	3.8
161.09650	3.0
161.13261	7.4
171.11702	15.5
189.12747	9.0
207.13789	21.6
237.64142	1.5
261.22092	5.3
281.17490	41.3
317.24863	3.0
330.85980	1.6
335.25818	56.9
541.38947	100.0
542.39124	4.4
559.40070	2.3
643.43170	1.7
721.50427	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	721.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.5
55.01863	1.0
55.05510	2.7
57.03436	2.1
61.02926	4.5
62.12222	0.5
67.05503	6.8
69.03429	3.4
69.07082	2.2
70.95619	0.4
71.04974	0.8
73.02913	3.0
79.05492	2.5
81.03408	2.9
81.07068	2.7
83.04990	0.9
83.08614	1.6
85.02904	4.3
91.03956	1.7
91.05489	2.1
93.07030	2.5
95.04967	0.9
95.08605	1.7
97.02894	4.5
97.06519	0.8
97.10172	0.9
101.02405	1.0
103.03943	0.5
105.07041	1.5
107.04966	0.8
107.08599	1.5
109.02901	1.0
109.10159	7.6
111.04427	0.6
111.08113	0.7
117.07014	0.8
119.08563	1.6
125.09645	1.5
127.03910	0.9
129.05550	0.6
131.08572	0.8
133.10139	1.3
137.09700	0.7
149.02315	0.7
150.77209	0.4
173.11794	1.2
177.12935	0.4
185.04245	0.7
193.05029	0.8
193.12198	0.4
195.09947	1.0
211.13052	0.4
222.55643	0.4
223.13313	1.2
229.08682	0.4
229.14430	1.1
243.08394	2.9
251.12663	0.4
256.26443	1.0
267.16058	0.8
275.20126	1.8
291.19559	1.3
318.58322	0.5
331.18808	1.1
349.23752	0.7
391.07266	0.4
413.17868	9.9
429.21405	0.6
524.27087	0.5
541.35577	1.3
549.26599	5.2
721.37677	100.0
722.37598	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	721.168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52169	0.8
58.99865	2.2
59.73131	0.9
67.33113	0.8
69.21729	0.8
69.22034	8.7
70.99834	1.0
77.00899	1.2
82.35581	1.0
82.99876	2.2
85.02904	1.0
86.99353	1.0
91.05471	3.6
94.40745	0.9
97.02904	1.9
101.00888	21.4
108.62577	0.8
109.02898	1.2
113.00878	6.1
115.02437	3.3
119.01933	28.9
119.04953	10.0
122.43355	0.8
127.02411	3.5
129.00340	3.5
129.03961	1.3
129.07410	0.8
131.01918	10.1
132.23149	0.8
133.03488	2.0
133.06497	2.5
137.02980	1.9
139.02473	2.2
143.01907	34.1
145.03488	12.1
147.01414	6.8
147.04419	100.0
148.04764	1.4
149.02971	0.9
155.01903	18.9
157.03479	6.4
161.02975	27.3
163.03932	2.0
164.04248	1.4
167.01912	10.6
169.03484	4.7
171.01443	1.2
171.05049	2.4
173.01582	1.8
173.02971	22.3
175.04567	1.8
176.58478	0.9
179.01878	3.7
179.05556	1.3
181.03471	2.0
184.04590	1.0
185.02972	36.0
187.02629	1.2
187.04543	5.1
197.02965	12.0
197.06609	2.7
199.04726	1.3
203.03987	10.5
205.01807	1.3
205.03494	7.8
207.05084	1.0
209.03000	1.7
211.04562	3.2
215.04037	7.3
219.05086	2.5
221.03157	1.3
221.05013	5.0
223.02603	2.0
223.04544	16.7
227.03973	7.8
229.03461	13.3
237.06020	4.2
239.03984	1.3
241.03517	1.1
241.05591	16.8
243.05034	3.5
245.05083	56.9
246.05289	1.5
247.04556	49.3
248.04787	2.1
249.06166	1.2
257.05206	4.6
259.04752	4.8
261.06186	9.3
263.03763	1.4
263.06192	6.4
265.05624	78.9
266.05838	2.0
271.06799	1.3
273.06085	3.8
275.02661	2.1
275.06168	6.1
279.04236	1.0
279.07132	5.3
281.05258	0.9
283.06772	9.1
287.04034	3.1
288.07248	1.7
289.05646	4.8
291.03662	1.9
291.07135	7.8
293.03546	4.8
293.07108	2.0
295.06802	1.4
301.05652	4.0
303.03607	1.1
305.07446	4.2
307.06720	8.7
313.05533	1.0
319.06680	1.6
325.07205	0.9
331.06461	1.5
333.04642	1.3
335.04596	2.2
335.08307	2.2
337.07770	2.2
349.07697	13.4
351.05682	6.8
361.04010	1.7
365.09473	5.1
367.08810	11.0
369.06546	1.1
377.05658	7.2
379.05087	8.2
395.06714	7.0
397.06204	20.7
398.06705	1.0
402.64828	0.9
415.07220	3.0
421.06198	13.2
431.08209	3.1
433.06265	2.9
439.07263	47.5
440.07361	1.5
451.07251	7.0
452.07227	0.9
457.07913	2.9
469.08386	6.4
478.96390	1.0
481.08356	6.6
499.09265	10.3
505.08109	2.8
517.10498	1.2
523.09375	22.8
529.14319	3.3
541.10419	39.0
542.10614	2.4
557.11859	2.3
559.11493	6.7
668.09094	1.0
703.15741	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	721.168
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	2.3
57.02484	1.0
58.99877	1.2
61.45644	1.0
65.03931	1.2
66.83889	0.8
68.03024	0.9
68.98252	0.9
71.55168	1.2
77.00938	1.0
81.03429	1.5
82.99851	1.4
84.08160	1.7
84.96021	0.9
85.02892	1.1
88.33073	0.9
89.00880	1.1
91.05498	5.1
97.02903	2.4
98.21247	1.0
98.97626	5.2
101.00898	14.4
109.02877	1.8
113.00883	2.6
115.02457	2.6
116.98578	1.3
119.01942	28.8
119.04948	10.8
127.02438	3.1
127.03904	1.4
128.98651	1.3
129.00352	1.4
131.01923	10.2
133.03458	2.7
133.06473	1.5
137.02975	3.6
139.02386	1.1
139.03951	1.7
143.01927	31.9
143.03047	1.6
145.03542	12.9
147.01418	5.8
147.04427	100.0
148.04738	1.9
149.02953	1.4
155.01912	14.7
157.03468	6.8
158.99664	1.6
161.02980	31.3
163.03954	1.8
167.01920	6.6
169.03477	4.0
171.01387	1.3
171.05090	1.9
173.02988	22.1
175.00906	1.2
175.04550	2.2
177.00696	1.3
177.02383	1.7
177.05490	3.1
178.06029	1.3
179.01974	3.7
179.05539	1.9
181.03511	2.0
185.02983	32.7
186.03189	1.0
187.00920	1.4
187.02888	1.0
187.04495	5.4
189.02428	1.4
191.05554	1.1
197.02988	11.9
197.06627	2.1
199.04584	1.4
203.04028	12.1
205.01855	1.4
205.03531	7.3
207.05103	1.3
211.04588	1.6
213.02492	1.1
213.51483	1.2
215.04088	6.4
219.01740	1.7
219.05164	2.9
221.05125	5.5
223.04538	15.2
227.03973	7.2
228.73383	1.1
229.03519	12.2
229.05579	1.0
231.05281	1.4
235.04594	1.7
237.02902	2.6
237.06177	3.7
241.03474	1.7
241.05615	13.5
243.05099	1.8
245.05090	60.7
246.05424	1.6
247.04568	49.7
248.04883	1.4
249.06081	1.4
257.05090	4.9
259.04819	4.5
261.02686	1.2
261.06165	6.9
263.04230	1.3
263.06287	7.4
265.05627	66.9
266.05951	2.0
269.03235	1.2
270.05954	1.1
273.06125	4.1
275.03000	1.4
275.06180	6.7
277.03931	1.1
279.07278	4.1
283.06741	10.7
287.04108	3.7
288.07208	1.5
289.05719	1.9
291.03970	1.2
291.07251	4.7
293.03519	1.6
293.07422	1.4
295.06729	1.7
301.05637	4.4
305.07288	4.3
307.06754	6.4
319.06750	1.7
323.06006	1.5
325.07660	2.1
335.04538	1.6
337.07907	2.2
349.07715	13.2
351.05499	5.3
359.04657	1.0
360.72437	1.2
361.04144	2.7
365.09366	3.6
367.08804	12.8
377.05811	5.2
379.05103	13.7
379.09390	1.4
395.06787	7.2
397.06213	24.0
415.07147	3.3
421.06223	18.6
431.08368	1.8
433.06174	2.7
439.07285	32.1
440.07245	1.4
451.07214	6.4
457.07922	1.4
462.08817	1.2
469.08472	5.1
481.08224	8.3
499.09454	6.2
500.09372	1.1
505.08148	1.8
523.02002	1.9
523.09381	22.8
529.14160	4.9
541.10455	41.2
542.10468	1.2
557.11835	2.2
559.11664	5.3
703.15869	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	721.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12595	1.3
57.38676	1.1
58.99863	3.5
62.39499	1.5
64.37468	1.2
69.89330	6.7
77.00925	1.7
82.99854	2.2
91.05486	2.3
97.02898	2.1
101.00887	23.7
105.00343	1.5
109.02859	1.8
113.00911	4.5
115.02452	3.9
116.04669	1.1
118.75686	1.1
119.01931	30.1
119.02715	2.4
119.04961	12.0
127.02383	3.1
128.68367	1.3
129.00420	2.2
131.01923	11.9
133.03473	2.0
133.06459	1.2
134.70451	1.2
139.02434	2.1
143.01910	44.3
145.03473	14.9
147.01370	7.4
147.04419	100.0
148.04829	1.6
153.03969	2.2
155.01901	18.7
157.03485	9.8
161.02974	36.8
161.04341	2.0
167.01901	9.3
169.03506	4.8
171.01408	2.3
171.05045	2.0
173.02977	26.4
175.04588	3.0
179.01941	3.5
179.05452	2.4
181.03470	2.2
185.02986	39.7
187.00929	1.7
187.02512	1.6
187.04523	5.4
191.04031	1.7
197.02965	14.9
197.06711	1.5
203.04022	13.8
205.03439	11.0
209.37852	1.3
211.04567	3.0
215.03964	6.8
219.05130	2.1
221.05087	4.5
223.04584	16.1
224.04858	1.3
227.04007	8.2
229.03510	16.5
229.05592	1.3
233.01370	1.4
237.06111	4.1
241.05637	14.1
243.05206	2.0
245.05084	68.6
246.05312	2.1
247.04556	59.3
257.05148	4.1
259.04742	6.8
261.06241	6.9
263.03860	1.6
263.06134	8.9
265.05615	85.6
266.05795	3.4
267.68021	1.6
271.06747	1.3
273.06055	5.0
275.02518	2.3
275.06268	7.2
279.07217	5.0
283.06638	11.1
287.03931	5.9
289.05649	5.0
291.04022	1.7
291.07016	6.4
293.03561	3.8
293.07178	1.9
295.06528	1.6
301.05545	4.3
305.07272	5.2
307.06766	10.7
319.06522	1.8
323.06055	1.8
325.07837	1.7
333.04541	3.2
335.04764	4.3
335.08389	1.6
349.07700	16.1
351.05649	7.5
359.04596	1.4
361.04337	4.1
365.09430	5.1
367.08792	16.1
373.19720	1.5
377.05673	7.4
379.05069	12.3
395.06674	7.4
397.06192	37.7
398.15097	1.4
413.07846	2.2
415.07266	3.5
421.06082	17.1
431.08337	3.1
433.06137	2.7
439.07242	46.6
440.07312	1.4
451.07080	8.2
469.08466	10.5
481.08481	10.4
499.09558	10.6
505.07996	2.5
523.09430	25.5
527.29346	1.4
529.13983	4.9
541.10449	42.2
542.10791	1.6
557.11835	5.2
559.11346	5.1
703.15686	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	720.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31750	1.2
53.03942	3.5
55.01872	1.8
55.05519	16.4
57.03442	18.0
57.07082	32.2
61.02923	5.9
65.03941	2.2
67.05175	2.1
67.05511	28.1
67.38175	1.3
67.93020	1.3
68.27354	1.2
69.03416	3.6
69.07078	11.5
70.67159	3.6
71.04990	4.2
71.08639	19.8
73.02927	1.4
79.05495	18.5
81.03424	42.3
81.07066	32.4
83.04982	9.8
83.08621	24.1
85.02905	22.0
85.10181	9.8
91.03975	1.3
91.05489	22.7
91.06025	2.4
93.07039	15.4
95.04973	17.5
95.08617	24.3
97.02882	5.1
97.06516	5.3
97.10170	6.6
98.21416	1.4
99.08115	1.2
103.07533	1.8
105.07036	17.1
107.04945	6.1
107.08588	8.0
109.06487	3.5
109.10172	12.9
111.08112	7.1
117.07017	1.5
119.08594	14.0
119.24940	1.3
121.10139	8.6
123.08088	2.3
123.11711	5.0
129.07010	5.6
131.08595	7.7
133.06551	1.7
133.10141	10.3
135.11671	2.6
142.07747	2.0
145.10150	1.5
147.11714	12.0
149.09587	3.9
154.93680	1.3
157.10126	9.8
165.12695	1.4
168.50076	1.3
175.11186	13.1
193.12268	35.1
211.13326	51.4
233.58553	1.4
239.23735	3.1
267.15942	14.8
285.16977	77.5
287.18076	1.4
293.03671	1.7
313.27399	73.4
444.25931	1.7
447.39606	1.4
465.35751	7.4
505.38965	15.8
523.39990	100.0
524.40363	5.0
541.38806	2.5
679.93744	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04487	2.4
55.05522	11.1
57.03439	10.5
57.07083	36.9
59.48703	2.3
61.02925	2.5
64.12367	2.3
67.05515	28.3
69.07074	16.8
69.26689	24.0
71.08638	25.2
79.05496	14.8
81.07065	79.2
83.04997	4.3
83.08642	13.6
85.02921	3.8
85.06523	3.5
85.10187	13.5
91.05496	17.4
93.07053	11.4
95.04974	3.4
95.08615	30.8
97.06530	4.6
97.10175	3.0
99.08113	2.7
105.07034	29.1
107.08601	10.2
109.06519	5.7
109.10163	9.5
119.08599	22.7
121.10181	15.1
123.08102	4.5
123.11729	25.9
127.07598	2.9
129.07018	2.5
133.10109	3.8
147.11714	53.9
157.10143	3.5
165.12793	26.4
171.05618	3.2
178.20290	2.5
183.13972	2.5
229.14449	4.8
231.85083	2.3
239.23779	3.8
267.15939	86.1
285.16986	94.0
313.27377	100.0
331.28598	3.0
437.01471	2.5
457.62814	2.2
523.39966	87.9
524.40332	6.7
623.27844	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	720.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53456	1.2
53.03948	4.6
55.01872	2.2
55.05520	8.3
57.03447	5.7
65.03933	2.0
67.05510	22.6
69.03430	2.1
69.07076	6.1
70.85143	3.4
71.04994	1.5
79.05496	28.6
80.05842	1.4
81.03425	39.1
81.07065	21.6
83.04984	7.0
83.08631	9.7
85.02924	2.4
91.05490	27.6
93.07047	27.8
95.04982	17.6
95.08601	10.8
97.02898	2.3
97.06528	1.5
97.10187	1.8
101.35674	1.0
105.07047	19.8
107.05018	5.4
107.08620	9.4
109.06532	4.5
109.10186	4.0
111.08086	4.1
115.05488	1.6
117.07026	5.0
119.00388	1.1
119.08592	15.3
119.13966	1.1
121.06518	2.3
121.10148	4.8
123.08083	2.3
123.11678	1.3
128.06244	1.8
129.07027	9.1
131.08585	4.7
133.06546	2.2
133.10129	5.8
143.08533	3.5
145.10138	6.9
147.08067	3.1
147.11688	17.9
149.09727	2.8
157.10201	3.5
161.09715	1.8
161.13271	4.2
171.11659	9.8
175.11249	3.6
189.12756	2.7
193.12250	8.1
207.13837	10.0
249.15016	1.3
267.09241	1.1
267.15921	31.8
281.17514	33.5
282.17645	1.4
473.29050	100.0
474.29266	3.0
553.17792	1.3
553.43634	1.5
720.33649	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	720.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01876	11.0
56.65785	1.1
57.03434	1.3
57.79969	1.2
59.79090	1.1
60.08154	3.9
64.85574	1.1
64.96345	1.1
65.03959	6.1
67.05503	3.3
69.03420	2.6
69.57660	2.1
69.58068	5.5
71.01337	1.1
71.07362	1.6
75.04480	3.8
78.04697	1.9
78.22337	1.0
79.05502	6.8
81.03410	1.9
81.07063	3.6
82.04215	1.5
83.04956	2.0
85.02929	5.6
85.08201	1.2
86.09712	12.4
89.03922	1.6
91.05472	11.0
93.03430	5.9
93.07048	2.4
94.04183	2.1
95.04964	7.9
96.02112	1.3
97.06518	3.1
98.20799	2.3
98.98476	1.8
103.05475	14.2
104.10764	24.4
105.03382	1.4
105.07034	7.7
106.04178	4.4
107.01341	6.3
107.04962	11.8
107.95418	1.2
108.02062	1.5
108.05800	1.6
109.02881	2.2
109.06532	3.1
110.03657	2.5
111.04451	13.4
115.05448	4.1
117.03362	1.2
117.07022	5.0
118.04182	2.1
119.04958	2.9
121.02864	1.2
121.06516	11.4
121.10109	1.3
122.03714	2.6
123.04431	13.8
123.08086	1.1
124.03947	2.5
124.05257	1.9
125.00002	6.7
125.06012	9.6
128.06210	6.0
129.07018	24.1
131.04950	16.2
131.08603	3.1
132.05754	1.6
133.06482	6.4
134.03650	1.5
135.04445	6.9
135.08034	5.0
137.05991	45.4
139.03918	15.8
141.07005	2.7
142.02646	1.7
143.04933	1.7
144.05730	1.4
145.02818	1.4
145.06525	8.2
146.07230	1.5
147.04428	7.8
148.05194	2.8
149.05995	17.2
150.06715	1.4
151.02161	2.6
151.03909	5.0
151.07555	13.9
153.05486	16.4
153.09099	2.9
155.07034	1.9
156.05675	1.3
157.06490	25.2
158.07236	1.8
159.04414	2.7
159.08044	1.9
160.05193	5.1
161.05972	9.2
161.09651	1.6
162.01358	4.0
162.06741	1.8
163.03922	5.2
163.07541	15.7
165.05453	4.3
167.03369	2.1
167.04863	1.4
167.07045	22.3
172.05280	1.9
173.06026	2.6
174.06787	13.8
175.07584	24.6
177.05476	23.5
177.09074	1.9
179.01660	2.0
179.07109	8.1
181.04974	39.1
181.08531	6.8
184.07350	21.5
184.08972	1.3
185.05957	2.0
186.06703	1.1
187.07550	9.5
188.08327	3.3
189.05440	4.0
189.09131	49.6
190.00888	3.6
190.09801	1.6
191.07042	6.1
191.08554	2.2
192.06415	1.2
192.07965	1.3
193.06662	1.2
193.08592	4.8
195.06544	4.1
199.07541	4.9
201.09181	2.7
205.06673	1.9
205.08643	3.9
207.06534	2.0
208.01884	3.1
209.08093	51.8
215.06966	2.2
217.06570	2.7
217.08592	15.1
218.07277	1.7
219.08080	4.1
219.10179	9.0
221.08041	14.0
223.04272	44.2
223.07545	1.7
224.04546	1.4
225.09087	3.4
227.06818	1.5
234.06758	2.4
235.07507	2.7
235.09671	5.9
236.08430	2.4
237.09195	3.8
240.07805	1.2
241.08582	1.7
247.07556	2.9
248.08376	2.6
249.09225	7.2
250.09976	1.8
251.07048	2.2
251.10553	5.3
253.08624	2.8
261.09140	5.0
262.09692	1.2
263.06992	2.4
263.10431	1.2
264.07956	1.9
265.08594	3.1
266.09262	1.4
267.10056	2.1
269.08127	1.2
269.11694	2.0
276.07977	1.6
277.08670	9.4
278.09335	4.2
279.10178	7.0
289.08789	2.8
293.11682	3.1
295.09763	3.0
296.10376	2.8
297.11252	6.5
300.09680	1.6
307.09570	3.7
308.10477	1.7
309.11212	5.6
311.12851	8.7
312.09085	7.4
314.11517	3.4
321.11224	4.6
325.10455	2.6
327.12250	3.7
329.13852	100.0
330.14142	3.3
339.12329	22.9
341.13922	2.8
343.15402	5.1
353.13910	1.7
357.08896	2.5
357.13348	51.2
358.13617	1.5
359.14767	3.7
371.14914	58.3
372.15457	1.9
375.14423	9.6
389.15985	60.8
483.00342	1.3
579.00354	1.6
702.30518	2.5
719.46875	12.0
720.31799	8.0
720.46710	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	719.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.8
56.96296	1.5
56.96569	26.3
61.02917	1.7
63.15942	1.1
67.05503	3.3
68.10576	1.4
69.03433	1.9
71.54565	1.3
71.54941	1.8
79.05501	2.0
80.08165	1.7
81.03424	2.6
81.07064	3.8
83.08619	1.4
91.05474	4.5
93.07046	3.3
95.04971	2.5
95.08603	2.1
97.06538	1.2
105.07010	2.7
107.08560	2.1
119.04939	2.4
119.08649	1.5
128.87236	1.1
145.10126	1.5
147.04393	4.5
153.60129	1.1
163.11215	1.7
203.00159	4.4
207.03235	1.7
211.02736	1.9
221.01208	8.0
229.01704	1.4
233.04918	3.7
237.04341	2.4
245.01094	1.7
247.02690	5.8
249.04309	3.7
251.05853	3.4
257.04855	4.5
259.02740	3.2
261.04361	5.1
267.09164	1.9
271.02795	3.2
275.05994	14.2
277.03940	5.4
279.05496	2.7
285.10242	2.6
289.03815	5.1
293.06992	8.1
295.04919	5.0
296.40851	1.4
311.07898	1.3
315.06851	1.6
319.06363	3.2
322.04980	1.2
333.07932	2.3
335.05920	2.7
337.07437	10.6
343.06274	2.4
346.05273	1.5
349.03903	2.3
355.08545	5.6
357.06924	1.2
359.06241	1.6
360.03076	2.1
361.07462	18.7
363.05374	2.7
367.04825	2.1
377.07050	2.2
378.03876	3.0
379.08545	64.6
380.08771	1.5
393.06335	2.5
397.09604	97.6
398.09839	2.8
402.10095	6.2
415.10669	15.5
420.11243	5.4
485.16473	1.3
525.11926	1.6
557.34369	1.5
683.19550	100.0
684.19318	4.7
701.20068	3.9
701.38501	1.4
724.21814	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	718.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.5
55.01846	2.1
55.05515	8.4
57.03443	7.5
57.07081	27.9
57.07341	1.4
58.07380	0.7
61.02918	1.2
62.61419	0.7
65.03935	0.6
67.05510	15.9
69.03408	1.7
69.07079	8.3
69.07425	1.3
69.19963	7.5
71.04975	1.6
71.08637	20.2
71.12784	0.6
72.97115	0.6
73.02890	1.7
79.05499	17.5
81.03406	1.5
81.07063	21.5
83.04953	2.6
83.08624	13.0
85.02879	0.9
85.06533	1.5
85.10191	11.5
89.06045	4.0
91.05480	6.2
93.07053	23.4
95.04975	4.8
95.08613	44.9
97.02894	3.6
97.06492	3.2
97.10152	4.0
99.04444	3.3
99.11699	1.0
103.07564	1.7
105.07034	5.6
107.04411	0.6
107.04963	6.5
107.08606	19.5
109.06518	1.0
109.10165	7.8
111.04392	1.0
111.08057	1.9
117.07041	6.5
117.09098	0.9
119.08585	9.2
121.06561	4.2
121.09348	0.8
121.10146	11.0
123.11698	2.4
125.05952	2.0
129.06938	0.7
130.07753	1.0
133.08571	1.6
133.10072	1.1
135.08037	1.9
135.11700	43.1
136.12004	1.0
137.13229	1.2
139.07516	0.9
145.10135	23.6
153.12778	1.0
163.11200	52.4
181.12248	9.5
209.11650	0.9
213.57735	0.7
227.12799	65.4
228.12999	0.9
237.77426	0.7
239.23636	2.1
257.24728	2.1
283.15421	90.0
284.15759	1.4
313.27386	100.0
314.27655	3.1
332.72983	0.7
335.35416	0.7
521.38434	100.0
522.38715	5.0
617.08484	0.9
622.28741	0.8
718.41687	1.0
740.75012	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01868	4.6
55.05515	13.3
57.03441	10.6
57.07071	1.3
59.04989	3.2
59.14117	1.0
61.02919	3.3
63.87402	1.0
65.03938	3.4
67.05509	100.0
68.05825	1.2
69.03416	4.1
69.06737	1.0
69.07079	14.3
71.04977	4.9
73.02912	1.2
79.05495	23.9
81.02971	0.9
81.03414	7.3
81.07062	34.5
83.04973	4.2
83.08604	7.9
85.02921	5.3
85.06525	4.9
91.03928	1.8
91.05481	21.2
93.06481	1.6
93.07047	24.4
93.52939	1.1
95.04977	5.4
95.08617	14.9
97.02895	4.2
97.06551	6.0
97.10155	4.2
105.06409	1.3
105.07043	15.8
107.04960	5.4
107.08606	17.3
109.02893	1.5
109.06507	2.8
109.10160	69.5
110.10531	1.2
111.08054	5.0
117.07039	7.2
117.07715	1.3
119.08582	12.7
121.06496	2.0
121.10123	6.2
123.08060	1.8
123.11673	1.3
125.09599	4.5
127.03931	2.4
129.07034	2.4
131.08594	8.2
133.10126	7.0
135.08101	2.2
135.11729	7.0
137.09598	5.0
143.08546	2.1
145.10088	6.0
145.37602	1.0
147.08054	1.0
147.11655	4.2
149.02348	6.1
149.09608	4.4
149.13261	4.2
155.10660	4.1
157.10194	2.0
159.11688	5.5
161.13232	1.8
163.11174	4.3
167.03435	1.7
169.10118	1.1
171.11757	1.8
173.11737	16.3
173.13258	2.9
177.12828	1.6
179.14265	1.6
180.89944	1.0
189.11189	1.4
193.04993	9.7
195.13818	3.0
227.12762	4.9
229.07858	1.6
229.14374	53.3
237.07565	3.0
239.17900	1.8
255.15932	5.3
257.18964	3.7
265.18582	1.1
269.17532	9.2
275.20081	15.0
293.21210	1.6
325.20139	1.3
331.22491	1.7
341.06577	3.0
349.23779	13.0
355.50085	1.1
359.07690	2.3
385.09128	3.6
389.72543	1.5
399.23743	1.4
409.25870	15.5
423.27448	50.1
424.27695	1.4
429.11902	10.9
463.30496	1.9
503.33664	20.3
521.34827	5.3
567.31458	3.3
718.37634	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	718.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.7
51.29664	0.6
52.74334	0.5
53.03941	1.2
55.01863	2.7
55.05515	0.6
65.03938	4.9
67.05494	2.0
68.95399	0.6
69.03413	1.5
69.07056	0.8
69.61074	0.6
70.65312	1.1
70.65710	1.6
75.04462	1.7
77.03947	0.7
78.04708	1.2
79.05492	3.6
81.03409	2.4
81.07016	1.3
85.02911	4.8
89.03909	1.4
91.05479	8.0
92.28881	0.6
93.03408	5.1
93.07038	2.0
94.04189	2.0
95.01278	0.7
95.04972	4.9
95.08623	1.4
96.57465	0.6
97.02927	0.7
97.06506	1.4
103.04793	1.2
103.05471	22.9
104.36047	0.6
105.03397	1.6
105.04500	0.8
105.07033	6.0
106.04172	9.2
107.04960	7.1
108.02082	1.4
109.06496	2.2
111.04430	1.3
115.05470	4.3
117.03392	1.1
117.07037	2.9
118.04175	4.2
118.92124	0.7
119.04943	3.7
119.08517	0.9
121.06515	11.6
122.03614	3.5
123.04416	3.4
123.08129	0.7
124.05225	1.4
125.06002	5.8
125.38045	0.6
128.06219	0.8
129.07008	1.9
130.04172	0.8
131.04933	32.8
131.08505	0.9
132.05681	1.2
133.02852	2.4
133.06502	6.1
134.03621	1.9
135.04434	1.6
135.08067	2.2
137.05986	53.1
139.07588	1.1
141.05450	1.3
143.04904	2.1
145.02858	1.3
145.06490	6.2
146.03683	1.1
147.04401	3.3
147.08032	1.5
148.05220	9.9
149.05988	17.7
151.03917	60.8
151.05003	3.7
151.07545	2.1
152.04597	0.8
153.05513	3.4
153.07089	0.7
153.09122	5.5
157.06485	1.3
158.07286	0.7
159.04442	1.3
159.08070	1.2
160.05186	1.4
161.05995	4.9
162.01326	1.5
162.06758	0.8
163.03995	2.8
163.07553	23.7
165.05510	3.0
165.09096	0.7
166.06244	1.2
167.07048	23.4
171.04442	0.9
171.06577	1.1
173.06026	4.7
174.06664	0.6
175.07565	5.7
176.04688	3.5
177.05473	16.1
177.09122	1.4
178.00851	0.8
178.06259	1.0
179.01587	1.0
179.07013	2.6
180.07794	0.6
181.04964	34.8
181.08569	10.4
185.06094	0.7
187.07498	2.6
189.05518	1.5
189.09113	1.1
190.00832	1.0
191.07039	100.0
192.07610	2.2
193.03238	4.8
193.08583	2.6
195.06500	2.8
201.05473	1.6
203.07056	3.2
205.06560	1.6
205.08604	3.2
207.06485	0.8
207.10246	1.1
208.01855	1.2
209.08093	60.9
210.08450	0.7
217.06567	0.7
217.08597	0.9
219.08246	1.1
219.10194	3.8
220.07405	0.7
223.04231	13.5
223.07620	0.8
223.09698	0.7
225.07697	0.7
227.06995	0.7
229.08464	0.6
231.06516	0.8
233.06050	0.8
233.08069	4.2
235.07658	1.1
235.09671	4.0
237.09091	1.9
245.08104	1.2
249.09032	1.3
251.07014	0.7
253.08646	0.8
262.06052	0.6
263.06573	1.2
263.09167	18.3
264.07739	0.8
265.08716	1.8
267.10153	1.7
277.08606	1.9
279.10403	0.8
293.08075	1.0
295.09662	1.5
297.11292	0.9
307.09750	0.7
309.11224	1.5
312.09045	1.6
323.09290	0.7
325.10767	1.4
327.12259	1.7
329.13989	1.7
336.10019	0.6
337.10788	0.8
339.12292	1.6
341.13934	1.3
351.12170	1.0
355.11813	7.9
357.13382	3.7
359.14856	1.6
369.13174	3.2
371.15027	0.6
381.57816	0.6
385.12863	4.1
387.14407	20.6
399.14630	1.1
407.42352	0.6
417.15689	3.5
555.72485	0.6
579.22455	1.7
580.84381	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
55.01874	2.5
55.83431	0.8
65.03941	20.4
67.05483	2.1
69.03455	1.0
69.30923	4.0
69.31347	3.3
70.06596	1.2
72.09543	0.8
75.04458	1.8
78.04673	1.6
79.05486	2.4
80.23409	0.8
81.03432	1.7
81.07043	0.8
82.04196	3.6
85.02907	2.4
85.64014	0.8
91.05485	9.0
93.03411	18.9
93.07030	2.3
95.01339	2.9
95.04949	4.2
97.06537	2.1
98.97629	1.0
103.05450	4.3
105.07029	2.7
106.04169	9.3
107.04956	6.2
108.02094	2.0
110.03673	17.3
111.04454	22.6
115.05421	1.2
117.03374	1.4
121.02864	17.2
121.06512	10.9
123.04410	2.1
125.05992	25.6
125.06852	1.6
131.04942	3.5
133.06554	1.9
135.04413	2.2
137.05992	4.4
138.03152	2.9
145.06459	1.9
146.07259	1.5
147.04433	2.5
147.08104	1.5
148.05223	2.0
149.05983	16.7
151.03941	1.3
151.07584	1.7
153.05473	100.0
153.08978	4.2
157.06448	0.9
159.08029	4.9
161.06036	3.7
162.01364	2.7
162.06711	1.2
163.03937	3.0
163.07559	1.3
165.06979	1.6
167.07045	17.7
167.08415	1.4
174.06789	1.2
175.07549	4.3
177.05481	12.7
177.09149	1.1
178.07901	0.8
179.07124	1.0
179.08603	2.5
181.04976	1.6
181.06470	1.7
181.08604	9.5
181.10062	1.4
182.07310	1.2
187.07538	2.1
189.05411	0.9
190.00804	2.3
191.07024	5.7
191.08577	2.1
192.07893	1.3
194.07266	1.6
195.08092	3.3
197.05951	0.9
198.06783	1.2
204.07886	1.9
205.06567	1.1
205.08678	1.3
206.07422	1.4
207.08272	1.4
208.01918	1.8
208.08939	1.1
209.06087	1.9
209.08089	39.4
210.06824	1.9
211.07507	2.1
216.07753	5.2
218.07249	2.3
219.08104	4.2
220.08774	2.5
221.05984	1.5
221.09560	1.0
223.04253	23.6
223.07585	3.3
224.08337	1.2
225.09065	3.4
226.06206	3.1
229.08644	2.9
234.06598	1.2
235.07565	2.6
236.08328	3.7
237.09041	1.8
238.06012	1.7
239.07007	6.1
239.10686	1.7
240.08061	1.4
247.07481	1.5
247.09682	14.2
248.08377	1.9
249.09143	1.8
250.06419	1.4
250.09955	1.0
251.06978	1.5
251.10744	4.5
252.07843	1.1
253.08606	12.4
254.09319	4.4
255.06570	1.2
255.10234	1.0
263.06985	1.5
264.07849	3.8
265.08624	3.6
266.09351	2.4
267.10312	2.7
269.11786	7.5
276.30209	1.0
277.08582	1.4
279.10236	3.0
281.08032	2.8
281.11557	1.5
282.08859	3.7
283.09790	2.0
293.07980	1.0
294.08868	1.6
295.09665	2.2
297.11218	10.5
307.09650	12.8
309.11292	1.1
311.09296	1.1
311.13239	1.0
312.09113	4.0
325.10715	51.7
326.11243	2.9
327.12302	2.1
337.10831	2.0
339.12289	21.8
340.13055	4.4
341.13953	4.1
341.21359	0.9
351.12329	1.8
352.13156	1.3
353.13916	1.1
355.11618	1.9
357.13342	55.9
359.14890	1.1
369.13312	6.8
370.14145	2.4
371.14648	1.0
387.14462	2.7
424.15048	0.9
537.86676	1.0
664.50336	0.9
697.64349	0.9
717.47083	23.9
718.47284	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	717.343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
60.59600	0.9
61.61188	1.0
64.45750	1.0
65.03944	3.4
67.05514	3.8
69.07085	3.6
69.15723	1.1
69.95016	4.8
79.05492	1.9
81.03436	2.4
81.07065	3.3
85.06664	1.0
91.05483	2.7
93.03416	1.4
93.07046	3.5
95.04974	1.4
95.08638	2.1
105.07055	2.0
107.04975	2.7
107.08618	1.9
109.10170	1.6
119.08631	1.5
121.02879	3.5
121.06551	1.9
124.32709	1.1
127.03995	1.0
131.01283	2.8
131.04938	2.4
137.02347	5.1
145.10162	1.0
146.11928	1.2
147.04427	4.3
147.11661	1.8
149.02361	74.5
150.02654	1.2
163.03954	2.8
167.03416	100.0
168.03801	1.4
184.07365	1.2
191.07031	3.1
205.08609	6.6
217.08551	1.4
225.09148	3.6
227.06969	2.9
231.13863	1.3
244.57645	1.3
251.07051	3.4
269.08102	41.7
270.08414	1.2
273.14856	15.5
283.09576	2.2
283.13382	1.5
325.14297	3.8
373.10681	5.5
393.20621	34.7
394.20764	1.1
506.95126	1.2
717.43890	8.6
731.75037	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.6
55.01863	0.5
55.05518	1.2
57.03442	2.0
61.02936	4.7
62.31957	0.3
65.03959	0.4
67.05511	4.7
69.03433	2.6
69.07080	1.0
71.01348	0.3
73.02925	3.5
73.50840	0.3
77.15648	0.3
79.05500	3.5
79.20029	0.4
81.03426	1.5
81.07066	3.8
83.04982	0.8
83.08631	0.7
83.63120	0.3
84.15457	0.3
85.02911	4.6
91.03963	2.8
91.05500	2.1
93.07049	3.7
95.04987	0.4
95.08618	3.2
97.02905	3.7
97.06574	0.4
97.10214	0.5
98.21471	1.1
99.04459	0.4
101.02393	1.6
103.03970	0.5
105.07046	1.0
107.08605	2.3
109.02888	0.7
109.10200	1.4
115.03998	0.4
119.08563	0.9
121.10170	1.5
127.03947	1.4
131.08612	0.6
133.10159	0.6
135.11740	2.0
142.81683	0.3
145.10197	0.8
147.11684	0.4
151.27039	0.3
153.74751	0.3
159.11786	0.4
185.04208	0.4
190.24948	0.3
203.05266	0.4
221.11615	1.3
243.08456	2.2
335.25839	0.6
432.95145	0.4
439.19495	4.1
519.29266	7.9
599.84009	0.3
717.41876	100.0
718.42389	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	716.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.6
57.07079	29.2
67.05493	2.9
69.07052	5.1
71.08639	29.0
71.55100	1.8
72.41869	1.2
73.06567	9.2
80.68232	1.4
81.07047	3.9
83.08611	4.1
85.10186	17.2
87.04482	7.9
89.06040	100.0
93.06981	1.2
95.08604	1.9
97.10180	6.4
99.11711	1.7
107.07027	2.1
107.08732	1.7
111.11714	2.1
113.13287	1.8
117.09154	8.5
125.13293	1.5
127.14835	1.9
130.08664	3.3
131.07068	2.4
133.08617	55.6
161.11674	1.8
175.09622	2.1
177.11250	21.0
197.22681	2.3
221.13876	3.5
225.81854	1.3
230.09723	1.3
241.25172	2.3
285.27847	4.2
327.19952	1.7
329.30508	2.2
483.65073	1.3
503.30997	2.3
549.69873	1.3
699.52460	2.1
716.48273	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	716.422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
55.01868	5.5
55.05511	15.6
57.03438	9.8
57.07066	2.0
59.04995	3.7
61.02903	2.9
65.03945	1.8
65.69094	1.5
66.61185	1.5
67.05511	81.4
69.03441	9.1
69.07076	24.5
71.04990	6.6
71.55621	1.7
75.64881	1.6
79.05120	2.1
79.05505	19.8
81.03410	3.4
81.07066	29.0
83.08624	9.4
85.02884	4.8
85.06547	3.1
91.05496	19.4
93.07053	18.0
95.04977	6.9
95.08619	11.1
97.02917	8.8
97.06537	2.3
97.09623	1.6
97.10160	8.3
105.07069	8.7
107.04971	5.7
107.08588	14.8
109.10165	64.9
111.08090	4.6
116.75433	1.7
117.07001	4.8
119.08588	16.2
121.10137	6.3
123.08120	3.3
123.11732	3.3
125.09649	8.3
129.07011	2.0
131.08559	8.2
133.06480	2.7
133.10130	7.2
135.11668	1.9
137.02383	4.1
137.09644	5.4
143.08571	2.0
145.10112	3.4
147.04396	6.1
147.08055	5.9
147.11693	2.7
149.02342	7.6
155.10715	3.4
161.09596	2.1
161.13290	1.8
167.03383	9.7
173.11748	17.9
175.11238	1.8
177.12694	1.9
215.07048	3.7
223.13319	17.7
227.12790	5.0
229.14375	75.5
249.14815	3.5
253.14384	6.3
269.08127	6.6
270.08743	2.9
273.18539	13.2
276.80484	2.1
291.19565	85.5
316.87735	1.7
347.22089	3.3
365.23254	41.2
439.26889	4.7
519.33234	100.0
520.33331	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	715.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	1.2
55.01868	0.9
55.05508	1.3
56.96559	0.6
57.03440	2.1
61.02942	4.3
67.05522	3.1
69.03453	2.6
69.07075	1.6
71.05019	0.9
71.54972	1.1
73.02940	2.9
78.33074	0.6
79.05506	2.7
81.03433	5.4
81.07090	3.5
83.04990	1.2
83.08619	1.4
85.02914	5.4
90.33931	0.5
91.03985	2.7
91.05485	5.1
93.07058	3.5
95.04988	2.2
95.08619	1.9
97.02904	4.1
97.06531	0.7
101.02408	1.5
105.07041	3.1
107.04957	1.1
107.08670	1.2
109.06567	0.8
109.10188	0.6
111.08109	0.7
119.08618	1.8
121.06566	0.8
121.10207	2.7
125.09616	0.6
127.03973	1.5
129.07024	1.0
131.04942	1.3
131.08600	1.2
133.10136	2.0
137.01054	0.6
137.06010	4.4
137.09727	0.7
139.11192	1.4
147.04431	2.6
147.11737	1.3
149.09674	1.7
157.10233	0.9
161.06030	0.7
175.07556	0.5
175.11226	0.8
177.05502	0.7
193.12315	2.5
211.13219	0.8
243.08568	1.9
251.12657	0.8
252.16040	0.6
267.16040	0.9
269.13788	2.2
307.15210	0.7
443.19098	5.1
469.20514	11.1
487.21631	4.0
671.32745	2.3
697.34320	1.8
715.35205	100.0
716.35834	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	715.352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.0
55.15356	0.7
57.03435	2.0
57.46335	0.7
59.04991	0.6
61.02938	6.1
67.05509	4.2
69.03432	3.0
69.07078	1.6
70.26348	1.6
70.26743	1.8
71.01362	0.7
71.04990	1.4
73.02909	3.2
79.05501	2.4
81.03445	4.7
81.07059	4.1
83.04977	0.8
83.08618	1.0
85.02911	6.0
85.06567	0.9
91.03972	3.5
91.05500	4.3
93.07068	3.0
95.04990	1.8
95.08631	2.2
97.02915	4.8
97.06559	0.8
99.04469	1.0
101.02388	2.3
105.07041	3.4
107.04991	0.9
107.08604	2.7
109.02905	1.0
109.06547	0.9
109.10169	3.2
110.52466	0.7
119.08592	1.5
121.10201	2.1
123.11802	0.8
127.03979	1.6
131.08574	1.1
133.10144	4.1
139.03999	0.6
139.74892	0.7
147.04428	0.8
147.11751	1.1
151.11259	1.8
157.10153	1.1
175.11209	1.2
193.12256	0.9
203.05330	0.9
237.11075	0.8
243.08559	2.4
255.10945	1.0
260.47421	0.6
267.09006	0.7
267.16037	0.9
269.12549	1.4
273.12100	1.6
283.15189	1.6
293.13611	0.8
311.13553	1.0
392.12473	0.7
451.19351	1.1
453.21301	0.8
455.18805	10.7
469.20377	0.9
501.23145	6.2
553.30615	0.8
625.32166	1.7
665.31061	7.9
669.33545	0.8
683.31250	1.3
697.34064	3.9
715.35089	100.0
716.36121	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	715.33
Annotation	Glaberianthrone
Peak:m/z	Relative Intensity
51.94109	0.8
56.73335	0.8
56.96568	1.4
67.05499	0.9
69.07100	1.1
69.51687	2.4
69.52100	2.4
79.05997	0.7
80.91501	0.7
98.21445	1.6
98.97602	4.4
109.10158	1.0
110.97594	1.5
112.99149	1.1
116.98629	1.5
128.98582	1.5
131.00212	2.7
135.34364	0.7
143.00157	1.1
149.01239	2.3
149.02397	1.1
158.99655	1.2
167.03439	1.6
170.99760	1.6
173.01236	0.9
175.70363	0.8
177.00706	1.0
189.00748	1.9
203.07021	1.1
219.01776	1.2
260.43771	0.8
261.02625	0.9
280.41370	0.8
293.05560	2.3
311.06552	0.9
321.04849	4.1
455.10730	1.5
470.13550	0.9
625.31970	6.4
643.29700	3.7
648.64417	1.1
715.32977	100.0
716.33148	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	714.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.05313	0.7
55.05521	7.3
56.05051	5.0
57.07080	3.8
58.06590	1.0
60.04509	2.4
62.29667	0.5
64.19614	0.6
65.03943	1.2
67.05512	12.5
68.05025	0.9
69.03421	2.0
69.07073	8.3
70.06596	1.8
71.08633	1.5
71.80482	0.6
79.05504	10.4
80.05005	2.8
80.26168	0.6
80.26694	0.7
81.03399	0.8
81.05795	1.6
81.07061	11.6
81.48482	0.6
82.06579	8.3
83.08628	5.1
85.02882	1.9
85.10187	0.9
91.05489	10.0
93.07049	10.4
94.06580	18.9
95.04945	1.0
95.07362	10.0
95.08617	8.4
96.08157	5.7
97.10172	3.0
98.20702	1.5
99.10120	0.7
105.07035	7.1
107.08592	4.7
108.08122	4.1
109.10156	3.4
114.66618	0.6
119.08580	5.2
119.85069	0.6
121.10149	5.7
122.09671	2.7
123.11748	1.7
132.07590	0.6
133.10146	4.0
134.09660	0.9
135.10710	0.6
135.11665	3.2
137.13255	1.2
145.04921	0.7
147.11690	1.0
149.13255	1.2
161.13257	1.3
233.22716	3.3
233.29852	0.7
234.00493	0.6
234.22185	1.3
245.22690	4.8
250.25349	7.6
254.24759	1.6
262.25320	100.0
263.25851	1.3
272.25867	5.5
280.23599	1.0
280.26401	7.0
504.47879	5.7
516.47778	27.9
517.48071	1.0
518.49353	5.8
534.48859	16.9
535.49170	0.8
636.82050	0.8
696.54163	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.3
53.92253	7.2
53.96426	8.1
55.05508	19.5
57.03444	17.5
67.05511	100.0
69.07069	31.1
71.04979	8.6
71.63132	8.2
79.05495	52.7
81.07070	86.0
83.08624	11.6
84.87332	7.0
91.05492	46.6
93.07041	55.9
95.08608	63.0
99.13188	7.8
101.20541	8.2
105.07050	51.6
107.08613	35.5
109.10175	60.9
110.06053	8.8
117.06995	14.3
119.08562	26.2
121.10152	25.9
123.11670	12.2
131.08563	22.3
133.10118	30.7
135.11707	17.1
145.10129	16.5
147.11679	30.2
149.13272	9.6
159.11667	11.5
161.13237	17.5
163.14752	9.2
173.11752	12.8
173.13254	12.3
175.14719	7.8
184.07350	28.1
185.13312	7.5
187.14648	8.4
208.13412	7.5
229.14424	94.0
229.38069	9.0
239.16460	14.8
241.17906	7.4
261.22131	18.5
262.25476	11.0
331.26260	8.6
335.25827	82.3
425.34229	14.3
489.35791	43.5
499.37616	21.7
517.39191	48.8
714.48120	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	714.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	32.3
55.22186	5.3
57.03439	19.8
57.07074	8.2
65.03931	6.8
67.05508	94.6
67.64431	5.6
69.07059	34.3
71.55412	7.0
79.05506	41.3
81.07062	100.0
83.08624	12.9
89.28217	6.0
91.05489	50.3
93.07059	55.1
95.08606	71.5
97.06548	8.7
97.10156	9.5
105.07037	45.3
107.08603	45.1
108.08899	6.7
109.10172	59.5
114.12451	5.7
117.07048	10.8
119.08571	43.5
121.10143	23.4
122.08926	6.2
123.11692	11.6
131.08560	23.1
133.10106	19.3
135.11757	12.2
145.10126	23.3
147.11676	30.3
149.13310	11.2
159.11707	15.1
161.13213	9.0
165.12740	16.7
173.11870	11.7
173.13156	14.9
184.07350	21.8
188.12540	7.6
229.14346	85.4
239.16479	15.2
259.20786	7.6
261.22186	19.8
261.87607	6.4
262.25290	9.7
278.48392	6.8
335.25882	67.5
407.32880	7.1
489.35800	30.6
499.37744	24.1
517.38751	69.7
635.36584	7.1
714.39960	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	713.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51886	0.3
53.03951	0.7
55.01885	0.4
55.05517	0.7
56.96566	0.5
57.03439	2.4
59.05011	0.7
61.02933	4.0
65.88592	0.4
67.05511	3.5
68.12270	0.3
69.03434	3.0
69.07063	1.2
69.77966	0.8
69.78375	1.6
71.01371	0.5
71.04994	1.6
73.02916	2.9
79.05491	2.8
81.03419	3.5
81.07066	5.9
83.05012	0.5
83.08628	1.2
85.02918	3.8
85.06554	0.5
87.04490	0.7
91.03976	2.3
91.05492	3.2
93.07051	4.8
95.04989	1.4
95.08598	1.7
97.02894	2.7
97.06548	0.8
97.10194	0.4
99.04470	0.9
101.02422	1.5
103.03959	0.4
105.07071	1.4
107.08593	2.1
109.02893	0.7
109.06535	0.4
109.10187	0.5
111.08112	0.5
115.03857	0.4
117.07068	0.6
119.08633	0.9
121.10121	2.3
127.03931	1.3
129.07042	0.7
131.08539	2.1
133.10167	1.5
147.11732	1.4
149.09619	1.4
149.13321	1.4
157.10103	0.7
159.11748	0.8
175.11263	0.9
185.04231	0.4
193.12350	1.4
195.13844	0.8
225.14949	0.8
230.24850	2.2
231.25247	0.4
235.13120	1.0
243.08406	2.4
267.16049	1.0
269.12622	0.6
269.17828	0.7
283.15094	3.1
291.15991	0.4
339.17899	0.8
453.21002	8.8
469.20810	0.9
485.17926	0.4
501.23120	9.8
551.31787	0.9
602.78418	0.5
713.37280	100.0
714.37463	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	713.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01875	1.8
55.05514	2.0
56.96585	0.9
57.03441	3.6
57.07061	0.7
59.02673	0.7
61.02934	5.7
66.13493	0.7
67.05513	4.5
69.03443	3.1
69.07069	2.6
71.04984	1.4
71.55614	0.8
73.02911	3.8
79.05508	4.2
81.03427	4.1
81.07069	3.3
83.04991	1.4
83.08611	1.6
85.02915	7.2
86.09735	1.0
87.04483	1.1
87.11235	0.7
91.03970	3.8
91.05492	3.8
93.07061	2.5
95.04995	2.5
95.08603	1.7
97.02911	5.2
97.10225	0.8
99.04479	1.5
101.02391	1.6
105.07059	2.2
107.05030	1.0
107.08593	1.4
109.02859	1.4
109.10196	2.3
111.08053	1.4
115.03926	0.9
115.30656	0.7
119.08594	1.4
121.10159	1.1
123.08128	0.9
123.11642	0.9
125.09695	1.0
127.03948	2.1
128.71193	0.7
129.05487	1.6
131.08601	1.1
133.10165	1.6
135.11693	0.8
137.06004	5.5
139.86595	0.8
145.10188	0.8
147.11697	1.0
163.11125	0.9
181.04781	1.4
185.04265	5.4
193.12289	2.2
201.03757	1.2
203.05367	1.1
209.11830	0.9
211.13383	1.1
218.13333	0.7
221.11726	0.9
227.05315	1.0
243.08530	3.3
251.12679	3.2
267.09277	0.9
277.14105	2.2
283.06201	0.9
285.10242	1.7
285.16827	1.4
301.09003	12.0
315.10568	2.8
341.12158	1.4
343.14087	1.0
349.16364	2.6
367.17447	1.4
369.15146	1.5
371.16714	1.7
373.11008	5.1
383.16733	3.8
385.18378	6.7
387.12738	1.4
395.17157	1.2
413.17990	2.0
429.17441	2.1
433.25833	2.4
439.19531	2.9
441.21619	0.9
443.18884	4.9
457.20105	1.0
467.19058	1.5
469.20490	16.6
470.20731	1.0
485.19965	6.0
499.21136	4.4
511.21619	1.3
527.28217	1.4
528.21844	6.0
541.22394	6.9
555.24103	1.6
569.26355	3.0
583.29205	1.7
611.30652	6.5
612.31573	4.1
641.31311	5.9
651.33417	1.0
653.31116	1.3
655.33490	2.4
667.33057	2.6
695.32684	4.3
713.33459	100.0
714.33856	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	713.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26411	2.4
63.97433	1.9
67.05526	2.1
69.07056	2.8
69.97398	2.0
78.70069	2.1
79.05499	2.6
98.21524	5.9
105.19591	2.2
131.04977	2.3
159.04446	2.4
261.61517	2.1
333.19086	4.8
429.15039	3.4
433.23859	2.6
479.23975	2.7
501.17407	5.1
552.59680	2.1
557.23096	9.2
612.28876	17.4
641.29352	100.0
644.27728	9.6
672.24384	3.6
713.31323	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	713.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
55.05517	2.7
56.55488	0.8
56.96592	0.9
57.03437	2.0
61.02932	4.2
67.05505	6.0
68.19118	0.7
69.03452	5.0
69.07064	4.2
69.33869	2.5
69.34293	4.0
71.01357	0.8
73.02921	2.7
79.05508	5.4
81.03423	5.6
81.07055	8.5
83.04994	1.8
83.08624	4.4
84.72094	0.7
85.02898	6.8
85.51627	0.7
87.00838	1.0
91.03959	2.3
91.05489	4.6
93.07058	5.2
95.04988	2.2
95.08604	6.6
97.02898	6.1
97.06525	1.5
97.10188	1.9
99.04486	1.7
99.13554	0.7
101.02383	1.7
105.07062	3.2
107.04958	1.4
107.08611	3.4
109.02894	1.7
109.06561	0.9
109.10161	4.6
111.11784	1.3
117.07002	1.1
119.04980	0.9
119.08627	2.3
121.06508	0.9
121.10133	4.1
123.08120	1.0
123.11739	3.7
127.03946	2.3
129.07057	1.2
130.38947	0.8
131.08554	1.4
133.10152	1.9
135.08057	1.0
135.11696	1.2
137.05981	1.6
139.03941	0.9
141.42413	0.7
145.05067	1.2
145.10144	3.6
147.11699	1.8
149.09624	1.0
151.07607	0.9
157.10159	1.5
163.11234	2.6
167.07050	0.8
170.23161	0.8
173.09698	1.1
175.11227	0.9
184.07416	0.9
193.12227	1.2
193.16687	0.9
229.14426	0.9
243.08521	2.6
249.11008	2.2
249.25865	1.1
267.08987	1.3
267.26926	3.3
285.10388	1.2
288.48074	0.9
429.30194	1.6
441.16901	1.0
443.18896	1.8
448.27762	1.5
467.18860	5.6
469.20572	5.0
485.20242	3.9
487.21683	2.7
633.33069	0.9
641.31433	1.4
669.30292	1.1
695.32642	2.2
701.23883	0.8
713.33435	100.0
714.33508	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	713.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54638	0.5
55.00025	0.5
55.05503	1.6
56.96559	1.3
57.03434	1.1
61.02922	1.9
67.05512	2.2
69.03427	1.5
69.07079	0.8
71.04989	0.9
71.55588	0.6
73.02934	0.7
75.98256	0.6
79.05504	2.1
81.03424	2.3
81.07066	3.3
83.04980	1.0
83.08622	0.6
85.02924	2.4
89.03877	0.6
91.05492	2.2
93.07092	2.7
95.04972	1.9
95.08604	1.5
97.02895	1.3
105.07046	1.4
107.04932	0.6
107.08629	1.5
109.06482	0.7
109.10164	2.2
110.10506	0.5
115.05412	0.6
117.07040	0.5
119.01733	0.5
119.08606	1.7
121.10130	0.8
127.03939	0.9
129.06993	0.9
131.00168	1.1
133.10162	1.0
135.11726	0.7
137.06010	1.0
139.03943	0.6
145.10138	1.1
147.11728	0.9
153.05556	0.6
159.11789	0.6
163.03932	1.4
163.11186	0.9
184.51353	0.6
206.87924	0.6
211.13350	0.6
216.33676	0.7
247.94116	0.6
249.08087	0.9
267.09048	7.2
267.16031	1.1
273.09821	0.6
285.10147	5.3
309.09976	0.9
364.56082	0.5
386.81827	0.6
413.17981	0.6
429.30194	1.0
448.27994	1.5
466.29095	1.0
467.19415	1.2
469.20551	2.0
485.17032	4.3
537.68079	0.5
641.30933	0.8
677.28540	0.7
695.32288	2.6
713.31891	100.0
714.32056	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	712.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
54.42467	1.2
55.01867	3.8
55.05265	1.7
55.05515	20.6
57.03444	20.8
57.07067	2.1
61.02932	3.2
65.03931	2.0
67.05508	75.1
67.56286	1.4
68.67429	1.2
69.03436	1.7
69.07075	19.0
69.20605	13.8
71.01361	2.9
71.04996	4.3
78.89432	1.5
79.05499	58.9
81.03425	4.7
81.07060	53.5
83.04989	12.0
83.08615	8.6
85.02917	4.3
85.06542	3.4
87.49195	1.4
91.03951	1.5
91.05487	34.1
93.07053	69.0
95.04990	5.7
95.08614	38.0
97.02885	1.6
97.06548	12.0
97.10177	8.3
98.21490	3.3
99.08092	2.7
101.79633	1.5
105.04541	1.4
105.07034	13.4
106.07363	1.4
107.04989	2.2
107.08598	43.9
109.10171	16.1
111.08094	2.0
117.07032	5.4
119.08590	14.6
121.06464	2.0
121.10148	19.9
123.11688	4.2
131.08554	8.5
133.10147	13.0
134.10464	2.5
135.11708	51.1
137.09721	1.3
139.07376	1.4
145.10150	14.7
145.47580	1.6
147.11702	3.6
149.13281	4.4
153.12767	4.5
159.11803	3.4
161.09715	1.8
161.13271	4.0
163.11212	7.3
163.14792	2.5
173.13287	3.9
175.14894	1.8
181.12239	13.3
199.13362	2.2
243.21181	2.2
251.20184	1.3
253.14282	4.0
255.15923	97.4
261.22153	14.5
304.01410	1.6
317.24902	2.7
335.25818	65.0
336.26187	4.1
423.32553	1.9
424.73795	1.4
478.66360	1.7
514.36163	1.6
515.37354	100.0
516.37640	3.8
533.38110	1.9
712.43414	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	711.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04915	0.6
55.05510	1.7
57.03442	2.7
61.02932	4.7
63.18738	0.7
67.05504	5.0
68.53959	0.6
69.03428	2.8
69.07069	1.3
71.04987	1.1
71.55439	1.0
73.02914	3.9
79.05501	2.5
81.03423	9.6
81.07066	3.9
83.04983	1.0
83.08619	1.7
85.02912	4.2
87.04469	0.8
91.03960	2.7
91.05485	2.8
93.07061	2.6
95.04977	3.0
95.08617	1.6
97.02917	5.1
97.06545	0.7
99.04467	1.5
101.02401	1.9
105.07031	2.3
107.05018	0.6
107.08620	1.5
119.08617	2.3
119.38250	0.6
121.10151	1.8
127.03944	1.3
129.07016	1.2
131.08583	1.8
133.10207	0.8
147.11714	1.2
147.74060	0.7
149.09641	2.2
150.45941	0.7
157.10121	0.9
170.34062	0.8
175.11255	2.1
185.04410	0.6
193.12291	2.7
193.18727	0.6
193.44096	0.8
230.14709	0.9
243.08533	2.3
267.16040	2.1
283.15143	4.0
285.10284	0.7
344.80225	0.7
382.73645	0.7
424.27536	0.7
451.19333	8.4
451.24097	0.8
469.20538	0.9
501.23190	6.0
538.38464	0.8
711.35669	100.0
712.35681	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	710.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.01872	1.8
55.05513	12.0
57.03443	11.7
57.07087	1.5
65.03944	3.5
66.60841	1.4
67.05511	59.2
68.05857	2.0
69.03434	2.1
69.07066	10.1
69.31377	2.0
69.31786	10.0
71.04995	3.1
79.05495	30.0
79.68050	1.4
81.03417	4.1
81.07061	36.3
83.04986	3.3
83.08623	5.2
85.02924	1.6
85.06554	1.8
87.41222	1.2
91.05485	82.3
92.05806	1.6
93.06474	2.4
93.07047	33.5
95.04980	4.2
95.08612	25.2
97.06544	2.5
97.10176	1.6
99.01007	1.3
105.07037	34.2
107.08608	13.4
109.10175	13.4
111.08086	2.0
117.07027	5.7
119.07836	1.2
119.08586	8.6
119.91533	1.5
121.10131	10.9
123.11712	3.2
128.06175	2.2
131.08597	6.8
133.10143	86.6
135.11720	8.9
137.09639	1.9
143.08586	5.0
145.10138	3.1
147.11728	3.0
149.13297	4.1
151.11195	5.0
157.10080	1.3
159.11710	2.2
161.09627	14.1
161.13286	1.5
163.11250	1.7
165.12737	1.4
179.10605	1.7
187.14877	1.7
191.82677	1.4
197.11760	2.3
243.21133	2.3
246.79311	1.6
251.12772	2.4
253.14357	51.5
261.22040	6.4
271.24045	1.6
317.24631	3.0
333.97708	1.3
335.25818	100.0
490.36438	1.6
513.35791	68.0
514.36029	2.3
548.40375	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39347	1.7
53.03951	4.3
55.01868	2.7
55.05512	14.2
56.05021	6.4
57.03439	15.5
61.02933	2.0
65.03947	2.5
67.05508	25.9
69.03429	3.9
69.07056	7.5
71.04981	3.9
73.02889	2.6
74.53925	1.6
75.02699	1.8
79.05500	27.8
81.03424	93.1
81.07069	27.6
83.04978	12.2
83.08631	23.9
84.08107	1.8
85.02918	15.7
85.06531	2.2
86.09706	2.2
88.02199	2.2
91.05482	31.2
93.07050	18.3
95.04979	27.7
95.08615	15.8
97.02872	4.1
97.06552	4.6
97.10177	5.7
99.04449	2.2
102.05581	2.7
105.04560	1.8
105.07039	24.4
107.04954	10.3
107.08599	13.1
109.06520	8.1
109.10169	6.1
111.04448	2.8
111.08086	9.3
115.05411	2.6
117.07040	4.5
119.04931	3.7
119.08603	19.0
121.06486	5.4
121.10169	8.8
123.08115	3.3
125.09666	4.9
127.03932	2.4
128.06230	2.3
129.07024	14.1
131.04933	2.3
131.08577	16.6
132.08876	1.7
133.06479	6.1
133.10156	12.9
135.08051	3.6
135.11671	3.0
137.06010	1.9
137.09595	2.1
141.01793	2.2
142.07762	4.0
145.06491	4.9
145.10107	5.6
147.04413	6.0
147.08046	5.6
147.11703	13.3
149.09673	8.3
152.03719	2.5
157.10141	13.3
159.11694	4.7
161.09570	2.3
163.11165	3.6
165.12825	1.9
167.06966	3.0
167.73827	1.8
175.11177	15.4
183.55466	1.9
184.07256	3.8
193.12247	35.0
211.13362	15.9
231.13791	2.4
255.13878	2.4
267.15933	100.0
273.14841	4.7
285.17017	16.2
349.21701	3.1
367.22769	9.0
385.23740	11.2
403.24670	2.9
425.27359	2.3
433.25912	12.5
441.26224	6.2
459.27463	62.3
460.27814	2.4
477.28583	44.3
495.29752	2.4
516.29779	3.8
534.30951	8.5
710.34833	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	708.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.01868	2.8
55.05522	9.3
56.55571	0.8
57.03443	11.8
58.11851	1.0
58.53825	0.8
62.93041	0.8
65.03963	1.7
67.05511	31.0
67.50271	0.8
69.03443	2.4
69.07065	9.9
69.39931	8.2
71.04993	2.8
78.16154	0.8
79.05058	1.6
79.05498	21.7
81.03425	52.2
81.07065	40.2
83.04990	6.7
83.08621	16.4
85.02927	1.7
85.06567	2.9
91.05486	16.9
93.07052	28.3
95.04982	16.0
95.08619	9.4
97.02901	2.7
97.06543	6.9
97.10164	1.6
99.08088	2.5
105.07041	10.3
107.04963	3.9
107.07889	1.2
107.08601	14.8
109.06528	2.3
109.10178	4.2
111.08107	6.9
115.05335	1.0
117.07022	5.2
119.08576	8.1
121.06507	2.3
121.10139	11.3
123.08065	1.5
123.11712	2.2
125.09646	1.2
129.07028	5.5
131.08551	8.8
133.06508	1.6
133.10146	7.6
135.08084	2.0
135.11714	4.2
141.92923	0.9
142.07753	1.4
147.08069	2.6
147.11694	7.2
149.09642	2.9
149.13277	13.4
151.11140	1.2
157.10136	5.5
159.11644	5.9
163.11156	1.3
165.12823	1.9
175.11203	6.4
177.12730	3.3
188.87318	1.0
193.12260	10.5
195.13841	4.7
211.13280	2.1
231.13974	1.0
249.14963	1.4
267.15942	51.4
268.16364	2.6
269.17496	49.1
285.16968	2.2
287.17468	1.2
351.65198	1.0
435.27225	4.1
443.27826	5.3
453.28714	1.1
461.29031	100.0
462.29266	4.4
479.30017	3.0
493.31967	1.3
497.30154	1.2
503.30331	1.4
511.32410	2.7
613.74139	1.0
668.02380	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.7
55.01874	3.6
55.05514	8.8
57.03439	7.6
57.28472	1.2
57.59018	1.3
60.54285	1.2
61.02913	1.6
67.05176	2.3
67.05508	31.5
69.03418	4.4
69.07076	8.2
71.04987	4.2
71.54671	1.5
79.05499	16.7
81.03423	33.3
81.07066	27.3
83.04977	6.2
83.08620	8.0
85.02884	4.5
85.06571	3.0
87.64517	1.1
91.05484	28.5
93.07059	16.5
95.04974	9.9
95.08621	7.6
95.25388	1.1
97.02882	3.1
97.06520	3.9
97.10163	3.1
99.04440	2.7
102.68727	1.6
105.07043	18.8
107.04951	3.4
107.08601	19.3
109.02824	1.8
109.06507	4.2
109.09467	2.6
109.10168	32.5
111.04451	2.1
111.08074	5.6
117.07011	4.2
119.04942	1.3
119.08597	6.3
121.06505	1.5
121.10155	4.6
123.08039	1.7
123.11691	6.6
125.09603	1.9
127.07574	1.4
129.07030	2.4
131.08563	8.1
133.10144	44.9
134.10561	1.3
135.08115	1.5
135.11679	3.7
137.09615	1.8
138.41219	1.2
145.10181	1.5
147.04384	1.5
147.08064	1.6
147.11659	3.6
149.09625	1.8
149.13162	1.9
151.11203	20.8
157.10095	2.3
159.11708	2.6
161.09639	2.0
163.11151	2.4
169.12288	3.2
173.11739	1.4
175.11221	4.9
179.10689	1.7
191.10730	2.1
193.12250	10.9
195.13820	1.6
209.11749	3.5
211.13240	3.4
215.12817	1.5
227.12711	1.9
229.14345	2.5
241.09377	1.4
253.14377	100.0
254.14656	2.1
267.08969	1.6
267.15903	39.0
269.17538	7.9
271.15408	22.7
283.15271	3.7
285.16992	4.9
300.10632	1.6
382.55484	1.3
423.27362	2.5
445.25793	19.4
452.02011	1.6
459.27289	2.3
463.26959	49.5
477.28235	5.4
495.29373	11.7
710.33667	3.8
711.33862	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	708.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.7
55.01873	16.2
55.05514	38.9
55.18801	1.8
57.03440	30.4
57.07077	2.6
59.04996	3.5
61.02927	9.0
65.03935	3.3
66.87592	1.7
67.05507	62.7
69.03426	12.6
69.07064	14.7
69.79578	6.9
71.01373	2.1
71.04996	6.6
73.02908	5.5
74.13258	1.7
75.95966	1.8
79.05501	50.4
79.05965	2.8
81.03422	97.7
81.07060	55.9
82.04207	4.3
83.04984	33.7
83.08624	38.3
85.02911	31.0
85.06540	3.5
91.05484	61.8
93.07050	37.8
95.04974	42.0
95.08610	23.6
97.02882	12.7
97.06541	12.5
97.10178	19.8
98.07340	3.9
98.20762	2.0
98.73061	1.8
105.07043	35.3
107.04953	17.1
107.08609	21.8
109.02887	2.9
109.06506	10.0
109.10163	19.3
111.04449	8.1
111.08079	17.1
113.06016	1.9
115.05433	2.4
116.04725	8.9
117.07030	6.1
119.08581	28.3
121.02863	1.9
121.06478	2.8
121.10159	16.0
123.08074	8.2
123.11723	4.2
125.09640	22.1
127.03920	2.9
127.07518	2.1
129.05504	25.3
129.06990	17.0
131.08588	19.8
132.87363	2.0
133.06500	4.9
133.10138	21.8
135.08104	4.1
135.11685	11.6
137.09607	2.5
142.07843	3.1
143.07042	7.2
145.10136	11.8
147.04356	2.6
147.08057	7.0
147.11693	26.6
147.90002	1.9
149.09627	13.4
153.12755	4.5
157.08626	11.6
157.10150	21.7
161.09540	2.7
163.11194	16.6
165.12794	6.4
171.06535	3.1
171.10178	5.9
173.09602	2.6
173.11771	4.8
175.11174	21.6
181.12221	8.1
187.52797	1.9
189.11217	4.5
191.10606	3.5
193.12253	79.9
199.13310	18.5
209.11719	12.4
211.13306	100.0
227.12805	17.8
229.14377	9.8
247.13312	3.2
255.15855	3.0
267.09201	1.8
267.15942	35.6
269.17404	2.8
283.15408	20.0
285.16989	72.2
301.16467	58.2
409.25848	2.4
421.25909	5.2
427.27057	3.4
439.26990	17.1
447.27081	2.3
459.27402	3.5
461.28943	4.4
475.26852	4.6
476.28012	2.3
477.28439	3.7
493.28122	22.0
494.28799	3.0
511.29007	61.5
583.31732	2.0
675.50616	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.3
55.01874	9.0
55.05513	33.4
57.03198	2.7
57.03436	16.9
57.07091	2.4
61.02914	4.8
65.03938	5.1
67.05511	76.3
69.03441	23.2
69.07074	21.0
69.60590	2.1
70.93904	2.4
70.94224	4.0
71.04984	7.2
73.02927	3.5
79.05498	50.8
81.03424	100.0
81.07061	78.9
82.07392	3.2
83.04988	45.8
83.08614	21.6
85.02902	18.3
85.06557	4.0
91.05484	52.1
93.06477	3.4
93.07050	50.3
95.04980	28.4
95.08614	51.8
97.02888	23.5
97.06525	6.4
97.10178	5.1
99.04446	8.2
99.08101	2.5
105.04548	2.4
105.07026	38.3
107.04970	7.8
107.06805	2.1
107.08600	33.5
109.02885	11.8
109.06514	5.2
109.10170	29.3
111.04439	17.9
111.08074	9.2
115.05454	3.5
117.07035	11.9
119.08585	34.2
121.06509	3.6
121.10149	24.1
123.08089	3.1
123.11726	8.3
125.05957	2.3
125.09630	6.7
127.03875	12.6
129.05498	15.5
129.06996	12.7
131.08560	26.2
133.06462	4.3
133.10120	20.5
135.08049	3.5
135.11681	17.2
137.09584	3.6
143.08551	5.3
145.10143	18.7
147.11700	23.2
149.09627	6.9
149.13280	6.4
153.12733	6.6
155.08556	3.6
155.10608	2.3
157.10150	13.3
159.11713	6.0
161.13263	5.1
163.11185	8.1
165.12703	3.3
169.10205	3.2
171.11636	3.8
173.09451	3.2
173.11859	2.6
173.13228	6.1
175.11169	12.8
181.12215	8.0
183.11711	3.5
189.12782	3.4
191.10638	7.0
193.12257	35.0
196.54369	2.2
201.16522	2.3
209.11629	3.2
209.13458	3.1
211.13287	56.6
227.12767	15.9
229.14372	6.6
235.13332	2.5
261.22174	8.3
267.15933	9.4
277.21457	3.5
281.76242	2.3
283.15396	8.4
285.17053	13.0
291.23187	2.6
301.21811	2.7
335.25851	34.9
337.27377	10.2
355.17706	3.3
369.24152	5.6
371.25400	2.5
387.25238	4.3
429.21167	7.9
527.37286	7.1
535.28894	2.7
545.38306	36.9
620.69580	2.5
653.40503	4.2
671.41742	3.2
689.42603	15.0
707.39984	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.8
53.03958	5.3
54.28677	2.3
55.01884	4.9
55.05310	2.3
55.05517	26.4
57.03448	13.7
57.07082	3.5
58.24660	2.4
60.08160	5.2
65.03940	5.7
67.05178	3.9
67.05511	63.6
68.70558	2.3
69.03427	20.5
69.07078	17.0
69.39567	18.7
71.04993	6.2
71.07396	3.9
79.05499	41.9
81.03426	76.9
81.07065	57.6
83.04984	33.5
83.08628	17.5
85.02920	14.5
85.06525	2.8
86.09715	23.4
87.04456	7.4
87.10022	4.9
91.05495	35.4
93.07053	39.2
95.04977	20.7
95.08615	38.0
97.02901	16.2
97.06535	7.5
97.10151	6.4
98.98479	3.0
99.04452	4.9
104.10778	2.7
105.07036	27.0
107.04964	6.2
107.08596	21.4
109.02882	7.7
109.06517	3.0
109.10155	15.9
111.04467	13.0
111.08092	9.9
115.05455	2.9
116.06319	2.4
117.07014	8.5
119.08591	19.3
119.11865	1.9
121.06566	2.7
121.10159	20.9
123.04462	2.3
123.08036	4.2
123.11716	4.8
125.00027	19.6
125.09624	3.0
127.03921	8.2
129.05470	8.9
129.06982	11.3
131.08595	17.2
132.39908	2.0
133.06557	3.1
133.10141	13.7
135.08020	3.7
135.11679	9.8
137.09625	3.0
142.07719	2.5
143.08510	3.4
145.10135	10.7
147.11684	16.5
149.09642	3.4
149.13242	6.3
153.12781	5.9
157.10133	10.4
159.11694	6.0
161.05905	2.3
161.13345	4.8
163.11140	6.8
163.14867	3.1
165.12775	3.7
173.09734	2.7
173.13251	5.0
175.11191	7.7
177.12680	3.0
181.12187	2.9
183.11655	2.3
184.07358	100.0
185.07690	13.4
185.13277	2.2
191.10683	6.3
193.12280	31.9
211.13290	45.5
227.12837	10.9
229.14357	4.0
243.20970	2.9
249.14685	2.5
261.22183	8.0
267.15936	13.7
273.22382	2.8
277.21802	2.9
285.16931	12.4
303.23160	2.9
335.25809	44.4
337.16092	3.0
337.27362	7.6
341.24966	2.7
355.17365	3.5
363.25345	3.4
369.23895	3.0
396.90009	2.5
429.21283	7.4
527.37024	9.3
545.38446	45.3
569.38409	3.3
627.23944	2.5
653.39557	3.6
689.42645	10.8
707.37292	15.2
707.48370	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	707.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01887	1.0
55.05523	3.5
57.03450	2.6
61.02932	5.7
65.03942	0.6
67.01583	0.5
67.05172	0.7
67.05511	9.9
67.42437	0.4
69.03436	5.2
69.07069	2.4
71.01358	0.5
71.04993	0.8
71.54666	0.5
73.02924	3.5
77.73292	0.4
79.05498	7.6
79.59726	0.4
81.03432	4.2
81.07063	10.0
83.04977	1.8
83.08624	1.5
85.02915	6.7
91.03968	3.3
91.05488	6.6
91.11039	0.5
93.07058	7.9
95.04975	2.3
95.08618	5.4
97.02910	5.5
97.06561	1.0
97.10172	2.0
99.04458	1.5
101.02387	2.1
105.07046	4.4
107.08608	4.3
109.02886	1.4
109.06550	0.7
109.10185	2.3
111.04453	0.6
111.08087	0.7
117.07038	1.3
119.08611	3.1
121.10149	3.5
123.11733	1.3
125.09647	2.0
127.03934	1.9
129.07013	0.9
129.75937	0.5
131.08627	2.5
133.10130	2.8
135.08128	0.5
135.11723	2.0
143.08588	0.5
145.10172	1.2
147.11726	3.0
149.09576	0.8
149.13271	1.0
157.10092	0.9
159.11775	1.4
161.09691	0.5
163.03937	0.7
165.12787	0.7
173.13362	1.1
175.11281	0.6
185.04265	0.9
189.11247	0.7
203.05212	0.5
210.78152	0.4
211.09518	1.3
213.05504	0.7
213.16388	0.5
229.09175	0.6
243.08531	1.6
261.22052	0.6
267.15973	0.7
285.17224	0.7
301.19635	0.4
335.25943	1.3
355.15436	1.0
369.24533	0.7
429.17303	4.1
435.17651	0.5
519.29321	8.7
545.37933	1.5
689.40851	1.1
707.39783	100.0
708.40137	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	707.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.6
55.01867	7.5
55.05513	39.1
55.43533	2.9
57.03441	19.0
57.07067	3.3
64.93169	2.9
65.03938	6.3
67.05510	94.0
69.03437	24.6
69.07079	22.9
71.04997	12.0
73.02927	3.3
75.24077	2.9
76.35649	2.7
79.05499	57.3
81.03423	100.0
81.07065	86.0
83.04988	40.8
83.08637	21.4
85.02914	20.8
85.06544	6.9
91.05483	58.2
91.43629	2.8
93.06483	3.9
93.07050	62.8
95.04967	32.4
95.08054	4.1
95.08614	48.8
97.02895	27.1
97.06516	10.6
97.10148	8.0
98.75311	2.9
99.04459	6.9
99.08104	3.3
105.04529	3.4
105.07024	44.0
107.04961	12.3
107.08605	34.6
109.02865	13.3
109.06501	8.3
109.10175	31.5
111.04440	20.1
111.08052	12.0
113.05995	3.3
117.07043	14.5
119.08593	30.8
121.10152	35.5
123.11683	10.1
125.09615	3.6
127.03915	10.2
128.06268	3.5
129.05472	9.1
129.07034	13.8
131.08542	22.6
133.06500	4.6
133.10133	22.8
135.11696	19.5
137.09613	4.0
142.07758	3.2
143.08554	6.5
145.10123	20.6
147.11711	24.8
149.09624	8.0
149.13257	7.4
153.12730	7.1
155.08554	4.9
157.10144	18.6
159.11705	11.3
161.05997	3.8
161.13177	3.4
163.11182	10.7
163.14838	4.5
165.12895	4.0
165.83690	3.1
169.10046	3.8
171.11737	3.4
173.13249	8.7
175.11174	14.0
181.12244	9.1
183.11668	3.6
185.13182	4.8
187.14838	3.6
191.10683	9.2
193.12259	40.2
209.11769	3.2
211.13292	74.9
227.12772	11.7
229.14267	4.7
229.22528	3.0
243.21155	4.1
249.14845	3.3
261.22128	13.7
267.15955	13.8
277.21671	4.8
283.15555	4.3
285.16928	20.3
327.23068	5.3
335.25839	45.5
337.27451	11.0
355.17407	3.6
369.24393	3.8
387.25089	4.6
405.26343	3.0
429.21185	8.8
435.32632	3.8
457.88492	3.3
461.28918	4.4
527.37396	10.9
545.38489	43.2
611.39398	3.6
671.41290	5.1
689.42181	11.8
707.41827	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	707.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.05516	3.0
57.03448	1.0
61.02929	4.3
61.19489	0.5
67.05516	5.1
69.03448	2.6
69.07071	1.0
73.02917	3.2
76.30923	0.5
79.05087	0.5
79.05481	3.2
81.03429	1.6
81.07055	4.3
83.08624	1.9
85.02917	5.5
91.03964	3.6
91.05510	2.2
93.07052	3.3
95.08611	3.0
95.74158	0.5
97.02906	4.6
97.10172	3.2
98.20702	1.0
99.04467	0.8
101.02416	1.1
105.07048	1.4
107.08607	2.2
109.02885	0.5
109.10179	1.5
119.08617	1.0
121.10171	1.5
125.09644	3.6
127.03951	1.5
131.08592	0.8
133.10124	1.2
170.66399	0.5
185.04297	1.3
189.11243	2.5
195.77510	0.5
209.61086	0.5
211.09451	1.3
211.39729	0.6
215.14232	0.5
238.24324	0.5
243.08566	1.4
245.14131	0.5
395.46658	0.6
429.17282	9.0
440.28375	0.5
456.81308	0.5
519.29401	4.2
521.30786	0.6
545.36749	0.6
634.50098	0.5
668.00879	0.6
707.39777	100.0
708.40247	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	707.377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
55.05517	0.8
57.21571	0.8
65.84328	0.8
67.05499	2.9
69.07063	1.3
69.66088	2.8
69.66515	2.5
70.48490	0.8
79.05493	2.3
81.03417	1.0
81.07085	3.9
87.04469	2.6
91.05494	2.2
93.07074	1.5
95.08628	1.8
98.20840	1.4
105.07053	1.7
107.08620	1.7
109.10186	1.2
111.52118	0.8
117.07005	0.9
119.08608	1.2
133.10158	1.1
147.11771	1.2
179.19078	0.8
186.55264	1.0
244.44029	0.8
362.24835	0.8
371.66843	1.0
573.09222	0.8
707.37683	100.0
708.38184	5.2
715.33905	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3771
Annotation	Tetrastachynine
Peak:m/z	Relative Intensity
52.80050	0.6
55.05495	0.6
57.07082	0.8
67.05508	3.3
69.03444	1.1
69.07063	0.6
69.21330	1.4
69.21724	6.1
79.05496	2.2
81.03435	1.3
81.07056	2.9
82.28638	0.5
86.94863	0.6
87.04491	1.5
87.19019	0.6
90.65601	0.7
91.05489	1.6
91.82796	0.6
93.07050	1.9
95.04952	0.6
95.08611	1.4
105.07057	1.3
107.08632	1.1
109.10201	1.3
119.08601	1.4
121.10133	1.1
131.08621	0.8
133.10161	1.2
145.10147	1.0
147.11676	0.8
191.03889	0.7
241.16066	0.6
278.84015	0.6
285.41498	0.7
423.21082	0.8
437.04666	0.7
472.32446	0.7
528.15216	0.7
535.26752	1.7
695.80914	0.8
707.37738	100.0
708.37750	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	707.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01869	0.8
55.05518	4.7
57.03431	3.8
57.07059	0.6
60.28154	0.6
61.02935	6.2
67.05508	13.1
69.03444	3.9
69.07066	3.1
69.77454	1.4
69.77868	2.3
71.05000	2.0
73.02930	3.5
74.00922	0.6
79.05495	9.4
81.03418	4.8
81.07065	9.2
83.04982	1.2
83.08611	2.1
85.02895	5.6
85.06535	1.0
86.39930	0.8
91.03951	3.2
91.05482	7.5
93.07050	8.4
95.04991	1.9
95.08594	5.1
97.02912	3.7
97.10177	1.4
97.57217	0.7
98.20769	1.4
101.02392	1.4
105.07034	6.5
107.04960	1.4
107.08607	4.9
109.02901	1.9
109.06512	1.2
109.10161	8.7
117.07053	1.6
119.08581	4.3
121.10167	3.4
123.08041	0.7
123.11693	0.7
125.09646	1.6
127.03907	1.6
129.07030	1.9
131.08578	3.1
133.06546	0.8
133.10141	2.8
135.11736	2.2
143.08640	1.4
145.10114	2.1
147.11690	2.6
149.13260	0.9
151.11237	0.9
159.08026	0.7
159.11720	1.3
161.13365	1.0
171.11688	1.2
173.11714	1.6
173.13243	0.6
175.14867	0.8
185.04260	1.6
185.13252	0.9
195.10066	0.8
227.12848	0.8
229.14282	0.7
243.08496	2.7
267.15912	1.1
275.20319	0.8
301.09106	1.4
301.25336	0.9
335.25861	1.4
373.23312	0.9
413.17920	6.1
453.33652	0.8
485.20139	1.6
526.88635	0.8
527.37488	2.8
535.28821	7.1
545.38428	6.6
689.41156	0.9
707.39795	100.0
708.39893	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	707.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
69.90157	2.3
69.90446	0.8
82.99862	0.9
98.20806	0.5
98.21354	1.0
101.00889	6.7
113.00868	1.5
115.02433	0.4
119.01929	7.8
122.01384	1.1
127.02422	1.8
128.01340	0.5
129.00404	0.5
131.01926	4.4
137.01915	1.8
139.02391	0.8
143.01907	18.8
145.03455	6.2
147.01389	0.6
149.01915	0.8
152.02446	1.0
153.03934	0.5
155.01894	11.5
157.03477	4.1
158.02394	0.6
161.01701	1.0
161.02965	10.8
164.02492	0.6
166.85535	0.4
167.01901	8.7
169.03494	2.8
171.05022	2.3
173.02972	12.3
173.53018	0.5
175.04536	0.9
179.01857	3.8
181.03448	0.6
185.02965	33.2
187.04510	2.4
191.03938	0.7
197.02971	12.0
203.03922	8.2
209.03009	1.6
215.04030	6.8
221.05133	0.5
224.04663	0.9
227.04008	8.5
233.05168	0.6
239.03833	0.5
245.05095	100.0
246.05228	2.6
254.05591	0.7
257.05078	4.3
263.06152	11.1
275.06168	10.9
284.06833	2.5
284.56741	0.9
293.07211	2.6
305.07196	10.9
317.07254	0.7
335.08340	4.3
347.08353	1.2
365.09348	46.0
365.59290	0.9
366.09650	1.4
383.10269	2.1
407.10645	0.7
425.11456	34.0
426.11563	1.3
437.11450	2.5
455.12491	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.4
55.01865	3.9
55.05516	13.0
57.03443	13.3
59.04981	1.3
61.02928	2.0
62.43362	0.8
65.03949	1.5
67.05511	22.1
67.13512	0.7
69.03454	5.3
69.07063	6.6
69.49085	3.8
69.49496	1.3
71.04995	4.4
77.03929	0.9
79.05069	1.7
79.05502	24.2
80.14548	0.7
81.03427	94.9
81.07063	22.2
83.04985	11.9
83.08631	24.5
85.02432	1.3
85.02915	15.4
85.06538	1.7
86.09724	0.7
91.05490	30.3
93.07052	16.0
95.04977	30.0
95.08607	10.0
97.02869	4.8
97.06538	4.3
97.10182	5.3
99.04436	1.5
105.07043	20.2
107.04954	9.9
107.08602	9.0
109.02894	0.9
109.06519	4.8
109.10174	4.9
111.04431	2.7
111.08097	10.6
113.06041	1.5
115.05474	2.2
117.07027	2.9
118.11891	0.8
119.04958	1.0
119.08594	18.9
121.06505	4.1
121.10150	10.2
123.08070	3.8
123.11688	1.8
125.06026	1.1
125.09641	3.2
127.03927	1.2
128.06181	0.9
129.07008	14.1
131.04893	0.9
131.07608	1.1
131.08586	13.9
133.06503	4.9
133.10135	10.8
135.08044	1.2
135.11696	2.7
137.06001	1.3
137.09633	3.3
141.07004	1.1
142.07779	2.6
145.06506	5.9
145.09123	0.9
145.10109	4.7
147.04344	1.0
147.08052	5.5
147.11708	11.6
149.09654	6.1
150.06709	0.8
151.11195	0.9
155.08568	1.0
157.06577	1.7
157.10135	14.0
159.08051	1.5
161.06044	1.1
161.09630	1.0
161.13200	1.0
163.11206	2.7
165.09134	0.9
165.12801	3.1
171.07990	1.8
173.09630	1.5
173.51527	0.9
175.11206	13.5
181.10239	0.8
187.11226	0.9
189.11148	1.5
189.12752	1.2
193.12260	35.7
195.11751	1.0
205.12395	1.2
209.87877	0.8
211.13278	17.0
227.12755	1.0
229.14397	1.7
233.15460	1.0
237.12714	1.4
243.13805	1.0
249.14850	2.0
255.13757	2.2
263.27197	0.9
267.15936	100.0
273.14899	4.4
283.15460	2.3
285.10092	1.2
285.16983	21.5
341.21017	1.5
349.21530	3.6
357.24252	1.2
367.22693	10.3
385.23724	12.9
403.24734	3.2
405.24213	1.6
415.24530	1.1
423.25043	1.3
433.25952	12.1
441.26450	7.7
459.27448	68.6
460.27750	2.5
473.24103	0.9
477.28516	43.2
478.28131	1.1
491.25812	1.3
502.31854	0.8
509.27277	3.2
591.29968	0.9
690.51904	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.7
55.05518	26.3
57.03439	16.0
59.04994	2.0
61.02926	4.5
62.24971	1.7
63.99507	2.4
64.75777	2.0
67.05173	3.1
67.05508	36.5
68.05838	1.7
69.03420	8.5
69.07068	10.1
71.04990	4.7
71.55290	2.7
73.02895	3.4
79.05057	3.0
79.05498	37.3
80.05804	2.1
81.03423	100.0
81.07061	35.8
82.03759	2.7
83.04998	9.0
83.08626	24.9
84.08927	2.1
85.02911	9.7
86.09702	3.6
91.03951	2.2
91.05488	37.4
92.05844	2.3
92.25867	1.7
93.07047	33.1
95.04977	38.7
95.08599	14.6
96.08932	2.2
97.02905	9.6
97.06509	3.5
97.10181	16.9
100.23521	1.8
105.07031	23.6
107.04977	16.6
107.08582	17.7
109.02856	2.2
109.06524	9.7
109.10158	10.4
111.04431	5.3
111.08096	8.3
115.05445	2.5
117.07038	8.9
119.04932	2.4
119.08578	20.2
120.08905	2.8
121.06483	11.8
121.10161	12.4
123.04388	2.4
123.08044	6.8
123.11740	3.0
125.00050	2.7
125.09661	11.7
128.06195	2.1
129.07025	12.0
131.08568	18.9
132.08952	2.4
133.06500	5.9
133.10126	10.6
135.08095	4.1
135.11668	4.2
141.06995	2.4
142.07805	2.3
143.08609	5.2
145.06445	7.8
145.10118	8.2
147.08052	6.5
147.11713	11.3
149.09630	5.5
149.13181	1.9
153.09090	2.8
155.08574	3.3
156.36899	1.8
157.10147	15.1
159.08051	2.9
159.11673	5.6
161.09654	2.3
163.11182	5.8
165.12808	2.2
169.10072	2.4
171.08026	2.7
171.11642	3.1
173.13277	3.5
175.11241	8.9
181.10057	2.6
181.12320	1.9
183.11699	3.2
184.07393	12.3
185.13318	2.7
187.11212	3.7
189.11266	3.7
193.12271	24.9
197.13161	2.5
208.38771	1.8
211.13324	2.6
218.79991	1.9
219.13896	2.8
223.13411	3.1
227.12772	3.1
233.15349	4.2
235.13219	2.4
249.14871	3.6
259.13208	2.1
267.15936	91.9
269.17651	2.0
273.14822	5.1
349.21527	4.4
352.87842	2.1
367.22849	15.8
385.23706	21.1
403.24704	7.8
441.26306	5.4
459.27448	97.2
460.27600	2.9
477.28516	57.1
491.30063	8.3
501.28769	4.9
509.30853	4.3
525.35614	2.6
526.35925	6.8
543.36578	6.5
544.29297	2.2
544.37170	34.0
555.29492	2.2
567.29352	3.8
706.42212	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	705.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
55.01873	3.3
55.05263	1.5
55.05515	19.7
57.03428	6.1
57.07079	1.7
57.49456	0.9
59.05001	1.2
61.02928	11.4
65.03952	1.9
67.05177	1.9
67.05512	28.8
69.03432	11.3
69.07082	9.8
69.73596	0.9
70.71957	2.3
71.01360	1.1
71.04987	4.5
71.05343	1.1
73.02924	5.4
79.05499	25.7
81.03421	18.2
81.07063	28.7
83.04971	5.2
83.08617	11.2
85.02911	10.4
85.06538	2.3
87.04433	1.3
91.03960	4.4
91.05485	22.1
93.07050	21.6
95.04974	10.3
95.08614	15.5
97.02892	10.8
97.06535	3.2
97.10178	8.5
99.04459	1.9
101.02397	2.3
105.04617	1.0
105.07034	19.4
107.04967	4.7
107.08606	15.2
109.02895	2.4
109.06532	3.7
109.10157	10.8
111.04446	2.1
111.08086	2.6
115.05463	1.7
116.06267	1.2
117.07035	11.7
119.04931	1.1
119.08585	15.9
121.06506	4.4
121.10181	8.8
123.08102	2.5
123.11671	3.4
125.09651	9.3
127.03934	3.5
128.06239	3.0
129.05443	1.6
129.07018	10.8
131.04919	1.6
131.08563	15.7
133.06482	2.5
133.10133	9.8
135.08069	4.5
135.11702	4.4
137.09625	2.6
141.07014	3.7
142.07784	1.6
143.08571	10.5
145.06506	3.4
145.10136	16.9
147.08054	4.2
147.11690	6.1
149.09619	3.5
149.13278	2.8
153.09044	1.6
153.12796	1.3
155.08540	6.4
156.09299	1.2
157.10153	11.6
159.08015	2.6
159.11673	9.9
161.09639	2.5
161.13271	5.2
163.11200	3.7
165.06982	1.3
167.08594	2.9
168.09369	1.2
169.10138	7.0
171.08092	2.7
171.11670	8.3
173.09644	3.0
173.11957	1.2
173.13266	6.4
175.11227	2.8
175.14848	1.3
177.12761	1.2
179.08636	1.9
181.10153	3.5
183.08025	2.0
183.11757	3.9
184.07368	1.2
185.09593	2.5
185.13278	5.7
187.11191	2.4
187.14850	2.3
189.11241	3.3
189.12749	1.3
191.10730	1.3
193.10143	2.3
193.12225	4.0
195.11703	2.9
197.13272	3.2
199.11185	2.8
199.14841	2.5
203.10725	1.5
203.14326	1.8
204.02240	1.1
209.13251	2.5
211.11414	1.7
211.13319	4.1
213.12753	2.0
217.15904	1.1
221.13333	1.5
223.14824	2.1
225.12711	1.2
227.12700	5.9
229.14326	1.6
241.19496	1.7
259.20581	4.2
259.67819	1.0
267.15765	1.3
269.17563	1.2
275.20096	2.3
276.48605	1.3
283.20551	3.1
285.16946	1.4
297.22049	1.6
299.20291	1.3
299.23721	4.4
301.21564	1.1
311.20084	1.7
315.23004	1.7
316.01678	1.1
325.21622	1.3
329.21210	1.4
333.24298	1.1
339.23346	1.9
357.24188	2.2
385.23511	1.2
403.24377	1.4
415.29831	1.8
417.26212	2.1
421.25879	4.2
433.31134	5.5
435.27408	3.9
451.31906	7.2
469.33005	3.5
499.19415	1.1
507.34674	2.0
515.37708	1.2
525.28448	2.0
525.35748	21.2
526.36365	1.4
543.36835	100.0
544.37042	3.9
555.36621	1.6
585.37958	1.8
609.38080	1.6
633.38263	1.2
651.38599	2.8
669.39612	3.0
687.41058	6.3
705.30573	9.7
705.43347	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	705.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.01867	2.5
55.05519	4.7
56.96572	0.8
57.03429	2.7
59.05006	0.8
61.02923	4.6
63.86385	0.7
65.12247	0.9
67.05181	1.2
67.05507	15.9
69.03440	4.6
69.07075	5.0
69.49967	0.7
70.15421	1.4
70.15808	2.1
71.04993	1.9
73.02909	2.5
79.05495	6.9
81.03419	6.2
81.07063	12.0
83.04977	3.0
83.08638	1.5
85.02901	4.9
85.06533	0.8
91.03964	1.9
91.05485	8.5
93.07047	9.0
95.04966	3.2
95.08623	7.6
97.02930	5.2
97.06525	2.6
97.10179	1.1
99.04460	1.4
101.02396	1.5
105.07037	9.5
107.04939	1.2
107.08601	4.5
109.02892	1.4
109.06554	1.0
109.10169	8.7
111.04478	1.3
111.08099	1.5
117.07038	2.3
119.08588	5.4
121.06497	0.8
121.10155	3.0
122.31988	0.9
123.04469	0.9
125.09620	1.8
127.03940	3.0
129.07022	1.1
130.18468	0.8
131.08530	3.8
133.06511	2.0
133.10150	5.3
135.11719	2.1
137.61749	0.8
143.08626	1.4
145.10135	3.0
147.11717	2.5
149.09636	1.0
149.13382	1.5
157.10146	1.7
159.11765	2.2
161.06038	0.9
161.13257	1.6
163.11223	2.4
166.23386	0.7
169.10234	0.9
171.11740	1.0
173.11766	1.5
173.13243	0.7
175.11256	0.9
179.14241	0.8
185.13300	0.9
211.13168	1.1
217.97096	0.7
227.12814	1.1
229.14406	1.1
243.08510	2.6
263.76938	0.8
275.20175	3.3
315.19348	4.0
349.24133	0.9
396.97794	0.8
413.17578	6.7
458.89236	0.8
525.35736	1.4
533.27100	6.4
543.36896	4.6
687.40991	1.9
705.38245	100.0
706.37976	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	705.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	1.6
67.05500	3.5
69.03435	1.2
69.07074	8.1
79.05495	1.5
81.03409	1.3
85.02901	1.6
93.07053	1.4
94.06576	14.5
95.04983	3.4
95.08597	1.2
96.85423	1.1
97.06550	1.5
98.06033	1.1
98.97575	3.7
104.04972	1.3
108.08141	2.1
109.10090	1.2
112.07607	3.7
116.04939	1.7
116.72895	1.0
116.98659	1.3
118.06512	1.2
121.05253	3.2
122.06036	36.7
123.04460	1.8
124.07624	1.5
133.10188	1.4
140.07069	69.1
142.08690	1.8
144.04474	2.0
145.05132	1.6
146.05991	11.1
160.03941	1.2
166.05048	1.2
167.07109	1.5
172.03961	12.8
173.04706	9.4
174.05521	35.8
177.00819	1.2
178.05005	2.7
186.05501	1.5
188.03473	5.9
190.05029	3.0
191.05804	5.0
192.06520	2.5
204.06564	21.8
206.04590	2.6
206.08211	8.7
216.10295	1.2
219.09174	2.1
220.10115	1.5
224.09573	2.0
244.09727	1.2
247.08688	3.8
248.09358	7.1
252.08946	2.1
261.06552	1.2
261.12555	1.2
263.08051	1.8
265.09750	1.6
266.10425	1.4
267.11234	2.0
269.09262	1.5
274.10767	4.2
275.08163	4.8
276.08951	44.3
277.09656	5.3
277.14709	2.5
278.10449	2.5
279.07596	1.4
280.08524	2.5
285.12393	8.0
287.10385	2.1
291.07660	10.3
292.08435	1.6
293.09201	4.9
294.06616	1.3
294.09943	2.4
295.10767	1.4
295.15616	2.5
301.11835	3.8
303.07727	8.4
304.08423	30.9
305.08994	14.9
306.10013	4.3
307.10657	2.7
312.02982	1.1
313.11801	67.3
319.07187	1.8
319.12878	7.5
319.15921	1.2
321.08667	3.4
329.11401	1.8
331.07117	12.0
331.12747	6.7
332.07910	50.0
333.08691	21.5
336.11026	3.1
345.14456	22.5
349.08316	7.5
350.08948	9.6
351.09702	3.5
359.06464	6.0
360.07425	11.4
361.08191	7.7
362.08997	1.6
363.09717	4.0
364.06229	1.7
364.10580	21.8
365.11395	2.7
377.07730	4.0
378.08414	12.0
379.09186	4.3
391.09326	6.3
392.10037	15.0
393.10745	3.3
409.10156	1.5
423.11511	2.1
424.12451	1.2
439.19971	4.7
454.13968	3.2
472.15063	18.7
490.16217	11.1
500.14554	6.9
502.16214	1.6
504.17731	5.9
518.15662	22.0
532.17169	100.0
533.17554	3.7
550.18134	10.8
564.19910	27.6
619.26434	1.5
641.22247	13.8
673.25037	11.3
705.26343	2.4
705.37720	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	705.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36531	0.9
51.69337	0.9
55.05504	1.2
55.85753	0.9
56.96564	1.4
67.05504	2.6
69.07062	5.2
71.56281	1.5
72.38118	0.9
78.04736	1.3
79.05497	1.6
81.03420	1.4
81.07072	1.2
82.39555	0.9
84.08132	1.9
85.02910	1.5
91.05470	1.3
93.07076	1.0
94.06582	9.3
95.04966	1.7
98.97572	1.9
107.04905	1.0
108.08117	1.4
108.86245	0.9
112.07598	2.3
116.01095	1.0
120.04507	1.1
121.05257	2.2
122.06048	22.4
123.04379	1.4
124.07572	1.1
124.53723	0.9
133.10153	1.0
140.07080	45.6
142.08607	1.6
146.06020	8.1
154.08687	1.3
160.03922	1.2
162.05504	1.0
163.03896	1.2
166.04987	1.7
169.34520	1.1
172.03935	8.1
173.04771	5.0
174.05527	24.2
178.04996	3.0
179.05757	1.9
188.03432	4.2
190.05003	4.3
191.05827	4.4
192.06572	2.2
200.06699	1.0
204.06581	15.7
206.04530	1.8
206.08141	3.7
214.08476	1.0
216.10204	1.2
219.09177	2.0
220.09921	1.3
224.09262	1.3
230.04329	0.9
243.11273	1.5
247.08626	3.2
248.09598	4.9
248.11899	1.3
260.09430	1.3
263.08121	3.0
274.10684	3.7
275.08115	4.9
276.08957	29.2
277.09576	4.0
278.10406	2.8
280.08295	2.3
281.08838	1.0
285.12283	3.8
287.10245	2.0
291.07620	8.0
292.08240	1.2
293.09271	4.8
301.11853	3.7
303.07690	6.0
304.08423	24.4
305.08920	8.3
306.09933	3.1
307.10895	1.6
308.07635	1.4
313.11856	46.5
319.07257	1.3
319.12927	8.1
321.08743	2.9
329.11356	1.8
331.07172	10.0
331.12799	6.9
332.07932	41.0
333.08670	13.7
336.11050	3.8
337.14075	1.4
345.14526	11.1
349.08154	5.8
350.08871	8.8
351.09668	2.9
359.06656	5.6
360.07483	10.0
361.04202	0.9
361.08124	6.4
362.08929	1.5
363.09622	2.7
364.06308	1.7
364.10580	18.9
365.11246	1.7
377.08047	4.6
378.08514	10.8
379.09192	3.4
379.94199	0.9
391.09280	5.7
392.10062	14.6
393.10934	4.5
423.11871	2.2
424.12802	1.6
428.15567	1.5
454.13593	1.9
472.15054	12.1
490.16196	7.4
500.14233	5.1
504.17505	3.9
518.15601	19.4
532.17218	100.0
533.17474	4.0
550.18152	11.6
564.19739	21.1
596.25037	1.0
641.22571	8.6
673.25269	12.0
686.48792	1.4
687.24182	1.2
704.50226	67.1
705.27258	2.9
705.37915	1.4
705.50317	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	703.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	14.7
55.01871	5.9
55.05302	2.6
55.05517	28.2
57.03440	16.7
57.07091	3.6
65.03941	4.6
67.05511	96.2
69.03143	2.8
69.03441	37.5
69.07074	28.4
71.04980	9.2
73.31102	2.8
74.37222	2.9
79.05504	98.4
81.02985	4.2
81.03428	55.4
81.06587	4.8
81.07063	88.6
83.04983	19.3
83.08624	8.7
85.02901	19.0
88.75185	2.6
91.04903	4.1
91.05489	79.8
93.06481	5.1
93.07056	100.0
95.04979	22.5
95.08615	71.9
97.02905	10.5
97.06519	11.3
97.10164	3.6
98.21531	7.7
99.04472	7.0
101.02398	2.9
101.06043	3.0
105.04504	5.9
105.07034	54.5
107.04946	9.8
107.08607	35.6
109.02881	9.0
109.06519	8.8
109.10185	20.2
111.04437	4.4
115.05476	7.5
117.07008	30.8
119.08588	33.3
121.06501	6.6
121.10168	23.7
123.08121	6.8
123.11739	6.3
127.03912	9.2
128.06203	6.7
129.05539	4.0
129.07005	28.0
131.03412	3.3
131.08574	32.7
133.06487	6.8
133.10152	19.8
135.08049	6.6
135.11717	11.2
137.09602	2.9
141.07034	5.7
143.08556	21.7
145.06473	8.5
145.10135	16.1
147.08051	7.4
147.11710	25.2
149.13246	7.9
155.08598	5.5
157.06529	3.9
157.10149	6.1
159.08049	7.3
159.11702	12.3
161.09596	5.5
161.13257	12.7
163.11191	3.0
167.08574	4.8
169.10136	3.3
171.11702	25.1
173.04448	7.9
173.13252	6.6
179.14352	4.5
181.10146	4.9
185.09541	3.3
185.13303	3.9
187.11237	3.1
189.12723	6.8
195.11737	4.1
207.13812	18.9
223.14740	4.7
241.15871	4.4
243.21124	4.2
259.16940	8.1
261.22092	7.6
269.15399	6.7
281.17371	22.1
287.16431	12.0
335.25836	86.6
361.19772	3.5
425.21664	8.0
499.39566	3.1
541.38904	54.2
555.40051	3.8
621.41498	4.6
685.43280	4.0
703.45422	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	703.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	16.6
55.01864	8.8
55.05270	3.1
55.05511	37.2
57.03440	16.1
57.07072	6.2
65.03934	8.7
67.05507	93.7
69.03437	34.3
69.07076	21.8
71.01347	3.4
71.04990	6.5
71.29782	6.4
79.05497	100.0
81.03416	63.1
81.07062	89.1
83.04982	20.8
83.08625	12.9
85.02916	19.7
85.06526	3.5
85.10184	3.5
91.05486	88.6
93.07047	90.0
95.04970	31.1
95.08051	5.5
95.08614	62.0
97.02879	11.9
97.06539	7.3
97.10160	8.2
99.04489	7.4
101.02374	3.2
103.05464	4.7
105.07040	55.8
106.06225	3.2
107.04955	13.3
107.08600	34.4
109.02847	5.7
109.06520	7.4
109.10151	21.0
111.04442	3.5
115.05439	7.6
116.06237	3.4
117.07016	30.0
119.08585	41.1
119.41994	2.8
121.06517	13.6
121.10170	24.6
123.04425	4.3
123.08058	6.7
123.11686	6.1
126.95167	3.3
127.03902	10.0
128.06227	9.1
129.05504	5.4
129.07030	33.2
131.04919	4.2
131.08580	33.2
133.06454	9.0
133.10146	19.7
135.11690	11.6
137.09602	5.9
141.06979	5.4
143.08578	17.3
145.06516	8.1
145.10112	17.3
147.08038	6.9
147.11696	29.9
149.13275	6.8
155.08594	11.1
157.06416	5.3
157.10147	7.1
159.07994	4.6
159.11665	10.0
161.09724	4.4
161.13301	16.2
167.08508	4.6
169.10164	4.9
171.08084	5.8
171.11702	18.9
173.04498	6.6
173.09814	5.0
173.13272	8.5
177.12750	3.1
184.07373	4.4
185.09712	4.4
185.13263	5.9
189.12788	11.3
197.13292	4.9
207.12038	3.6
207.13832	20.3
209.13184	4.0
213.16528	4.5
237.16383	3.8
241.15944	5.3
245.18849	3.8
251.14267	4.9
259.16919	7.3
261.22296	7.2
269.15408	10.0
281.17560	21.1
287.16437	19.7
288.82181	3.1
313.27206	4.9
335.25784	58.2
424.45724	3.2
425.21677	9.0
541.39081	33.0
627.99109	3.6
685.42810	4.5
703.46320	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	702.443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.8
55.01868	5.0
55.05510	20.9
57.03424	12.7
57.07059	6.6
61.02914	6.0
61.67202	3.4
64.54536	3.9
65.03940	4.8
67.05508	100.0
69.03419	16.4
69.07057	11.6
70.06580	9.0
70.79470	7.1
71.04980	6.0
79.05495	42.7
81.03419	22.4
81.07061	44.9
83.04961	7.3
83.08620	14.6
85.02902	8.8
88.07633	6.9
91.03980	4.5
91.05482	48.2
93.07047	41.4
95.08616	24.3
96.69942	4.2
97.02910	10.3
97.10176	4.9
102.09166	8.8
102.85250	3.8
105.07052	43.6
106.07417	4.3
107.08611	20.8
109.06524	5.4
109.10157	71.5
111.08090	4.6
115.05443	5.2
117.07013	15.7
119.08583	35.8
121.10120	16.8
128.06085	4.1
129.06961	10.0
131.08597	18.5
133.10162	25.4
135.11690	12.4
143.08586	9.4
145.10127	17.2
147.11679	20.5
149.02350	24.1
149.13264	7.9
155.10631	4.2
157.10170	9.5
159.11684	12.8
161.13263	13.7
169.10098	4.2
171.11670	9.1
173.04286	5.0
173.11778	20.1
173.13094	5.8
175.14821	5.5
183.11609	5.0
185.13263	8.3
189.12900	4.6
193.04930	13.9
195.11613	4.6
195.80826	3.7
227.12764	4.9
229.14354	62.2
241.19548	14.1
256.26425	20.9
259.20609	51.8
275.20636	4.0
306.56174	3.7
315.23184	8.4
333.24237	38.7
374.79205	3.8
395.29648	5.7
429.11563	7.1
442.26379	4.4
447.15558	3.7
487.34265	18.4
505.35120	15.7
540.37213	12.0
550.48462	4.9
615.39105	4.3
632.23724	4.4
702.38171	51.4
703.38733	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	702.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.4
53.96510	1.1
55.01869	4.3
55.05516	53.7
57.03443	12.5
57.07077	5.2
59.04989	1.4
60.08173	2.5
61.02915	4.7
65.03938	2.8
67.05512	60.5
69.03430	8.3
69.07077	13.7
71.05026	1.8
71.08634	2.6
71.55125	1.7
79.05499	38.5
81.03423	4.1
81.06582	2.7
81.07066	55.4
81.98932	1.2
83.04981	5.4
83.08630	32.3
85.02912	5.0
86.09718	8.0
87.04525	1.1
91.05495	17.8
91.97588	1.3
93.07052	36.9
95.04956	3.2
95.08613	26.2
97.02879	2.5
97.06551	2.0
97.10181	68.6
105.07034	10.3
107.08613	35.9
107.09329	0.8
109.06534	2.0
109.10159	18.8
111.08076	2.8
114.82684	1.4
117.07026	5.8
119.08597	8.3
121.10148	13.1
123.11695	4.4
125.00016	5.3
125.09642	63.2
127.03951	2.1
131.08585	6.3
133.10182	6.3
135.08041	7.3
135.11691	8.4
137.13240	1.8
143.10687	2.8
145.10147	5.7
147.11728	5.4
149.13309	4.7
153.09082	3.7
159.11746	5.7
161.13298	2.9
163.11244	1.6
163.14807	2.4
171.10197	5.1
173.13249	4.3
175.14891	2.1
175.29535	1.2
184.07356	22.8
189.11230	45.9
227.12796	72.7
243.21165	8.1
245.13870	100.0
246.14201	2.1
261.22137	21.2
271.25073	1.3
279.23337	3.2
317.24915	3.5
335.25836	70.6
413.30566	1.3
431.31412	1.4
468.37869	4.6
487.34329	8.1
505.35172	38.9
523.36249	1.9
529.38831	3.0
702.46710	3.0
707.15771	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
55.01871	4.9
55.05515	49.8
57.03442	13.9
57.07061	3.7
59.05009	1.9
59.62770	1.7
61.02906	4.4
61.23488	1.4
65.03934	2.0
67.05508	55.9
69.03452	7.2
69.07077	19.8
69.16435	4.0
69.16858	12.3
71.08633	1.6
73.02906	1.4
79.05497	41.3
81.06586	2.9
81.07063	53.3
82.29987	1.6
83.04981	5.3
83.08627	33.7
85.02885	4.8
85.06522	1.9
86.09692	2.0
89.06010	2.9
91.03936	1.8
91.05490	17.2
93.07050	39.4
95.04958	2.1
95.08051	2.8
95.08615	30.3
97.02914	2.6
97.06513	1.9
97.10178	71.7
98.20692	3.3
105.07043	12.3
107.08601	33.5
109.06507	2.4
109.10167	19.4
111.08072	2.8
116.94563	1.4
117.07006	4.3
119.08616	8.3
119.09351	1.7
121.10158	14.5
123.11686	5.9
125.09641	67.3
131.08606	7.5
133.10141	8.0
135.08043	6.0
135.11716	11.4
137.13264	2.0
137.46022	1.5
143.10670	3.2
145.10133	5.9
147.11676	5.0
148.08363	1.7
149.13254	6.1
153.09071	4.7
159.11685	5.4
161.13261	2.4
163.14827	4.3
165.50458	1.4
171.10155	5.2
173.13260	4.7
175.14778	1.8
177.16296	1.5
184.07344	8.8
187.14876	1.6
189.11224	49.6
215.10739	1.7
227.12799	72.4
227.20198	7.6
243.21094	6.0
245.13867	95.1
261.22153	31.2
279.23129	2.4
317.24710	5.7
320.30426	1.8
335.25827	100.0
336.26349	2.2
381.19360	1.7
431.31113	2.9
468.37927	1.7
487.34097	7.0
505.35275	71.0
523.36145	2.7
624.79370	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.3
55.05501	13.2
67.05505	30.7
69.03421	8.3
69.07052	14.0
71.55504	5.5
79.05508	18.2
81.03401	10.7
81.07068	22.5
83.04952	6.4
83.08628	3.7
91.05479	19.2
93.07038	29.1
95.04958	5.4
95.08582	16.8
95.30154	3.3
105.06998	8.3
107.04988	4.3
107.08585	11.0
109.02909	4.1
109.10157	9.4
115.05445	4.2
117.07030	4.2
119.08578	7.0
121.10101	6.0
123.08096	5.6
128.06264	4.3
131.08580	6.2
133.10123	7.2
135.11702	7.7
136.75275	3.8
137.02290	4.2
139.03879	4.9
143.08575	6.1
145.06480	7.9
145.10078	4.4
149.02335	3.7
153.01828	33.1
157.06392	4.3
165.01840	100.0
167.03400	11.0
171.08133	4.4
173.09630	10.0
177.01764	3.6
179.03389	11.0
181.10190	4.8
182.07243	4.0
183.02881	52.4
189.01933	3.4
191.03424	37.2
193.04962	9.7
197.09633	4.7
199.11208	14.7
201.12703	11.3
205.04933	8.2
207.02817	4.7
217.05078	5.4
219.02899	8.7
219.06514	4.7
221.04362	5.2
225.09096	12.2
227.10686	6.1
231.06511	16.4
233.08102	57.8
249.07581	4.4
256.26489	5.0
259.09631	9.0
277.21561	9.8
281.15399	14.2
285.11023	6.7
289.10635	6.1
333.11050	5.2
333.17462	6.6
341.13766	5.4
372.79868	3.9
411.21603	21.6
429.22705	21.3
431.18402	12.7
455.75912	3.7
456.86502	3.8
487.24979	18.1
539.31909	10.0
627.32916	5.3
683.38245	8.9
701.37305	54.3
702.38440	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	701.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.5
61.02928	0.4
67.05504	1.7
69.07080	0.6
70.59335	1.1
73.77972	0.4
79.05507	1.0
81.03435	0.4
81.07068	1.3
83.04998	0.4
88.56888	0.4
91.05479	1.5
93.07054	0.8
93.68058	0.4
95.08602	0.7
97.02920	0.5
105.07047	0.9
107.08617	0.4
109.10163	0.4
119.08602	0.9
125.38796	0.4
135.17944	0.4
149.03508	0.4
161.03004	0.5
165.01865	1.0
173.03069	0.7
173.11681	0.4
185.04326	0.7
203.05347	1.7
213.08167	0.5
228.36507	0.4
245.05080	0.4
254.26967	0.4
259.07932	1.4
305.08246	0.4
321.22751	1.2
347.09598	1.2
365.10596	3.0
421.13232	1.5
539.31946	16.7
701.37213	100.0
702.37164	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	701.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36937	1.4
53.03938	2.2
55.01855	1.4
57.03422	1.4
59.63379	1.5
59.72971	1.3
65.03934	5.4
67.05504	5.4
67.12145	1.2
68.99796	4.3
69.03434	3.2
69.07059	1.9
70.71864	1.3
72.06572	1.2
79.05492	6.5
81.03406	5.1
81.07053	5.4
83.04962	2.7
85.02898	2.0
90.46555	1.6
91.05482	15.8
93.07059	3.1
95.04959	3.7
97.02911	2.3
98.21503	3.8
105.07064	3.3
107.01294	2.6
107.04967	5.8
109.02875	3.9
117.07073	1.6
119.04949	25.9
119.08556	1.5
121.02890	14.2
121.06487	2.4
121.10143	1.5
128.31764	1.4
129.06990	1.6
131.08575	2.0
133.02797	1.9
135.00800	1.5
137.02361	4.9
137.05991	3.3
147.04417	64.9
149.02362	7.3
149.05991	4.4
151.03918	61.2
151.05008	4.6
153.01845	1.8
158.01303	1.5
161.05989	1.9
165.01855	10.5
173.09708	1.5
176.43497	1.4
177.01845	24.6
177.05521	1.5
179.03448	3.1
183.02919	5.0
187.03842	1.8
189.05505	3.6
191.03397	3.3
193.04974	58.2
194.08081	1.5
195.02931	10.6
199.07817	1.3
203.03436	1.8
205.05067	3.0
207.02979	2.1
217.04977	17.1
229.04993	2.2
233.04483	1.6
235.06090	6.1
245.04727	1.8
257.04538	4.1
261.03940	3.8
269.04718	1.5
272.06503	1.3
273.03979	2.9
285.04025	5.0
289.03439	5.1
297.04346	1.7
297.07510	2.6
299.05560	1.9
300.06406	4.1
301.03488	4.1
303.05002	17.0
311.05789	1.8
312.06430	1.5
313.03543	3.8
313.07175	2.8
313.10367	7.5
315.05179	1.6
317.03036	8.7
317.06506	3.0
325.07281	1.5
327.01361	3.1
327.04935	1.5
328.05750	13.1
329.02859	1.9
329.06662	2.4
331.04541	6.3
332.05264	30.1
337.06964	2.2
337.10651	3.3
339.05212	3.6
341.02847	4.2
341.06607	2.4
344.05197	7.3
346.06894	5.7
347.07663	45.7
353.06747	3.6
356.05304	18.2
357.06131	6.2
358.06943	3.4
359.07724	17.2
367.04672	1.9
369.06088	2.5
371.07635	41.3
372.08560	2.6
373.09280	5.3
381.06250	2.4
383.08047	2.2
384.08713	2.4
385.09354	4.7
387.10739	4.4
395.07758	1.8
399.11011	5.0
411.10867	6.2
421.05569	2.5
477.04523	6.4
493.07806	2.1
505.07791	2.7
506.04797	3.4
509.06982	2.5
520.06622	4.6
521.07074	11.5
523.08740	17.6
537.13879	10.4
563.11871	76.2
564.12073	2.3
581.12604	2.2
641.13452	2.2
643.14569	6.8
683.17633	64.6
701.18622	100.0
702.18445	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	699.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94921	0.3
52.32176	0.3
53.19151	0.3
70.23794	1.2
88.43137	0.3
95.59875	0.3
101.30056	0.3
129.07411	0.3
153.29498	0.4
176.04761	0.4
185.04187	0.8
203.05293	1.6
245.41405	0.3
259.08014	1.3
291.69199	0.4
365.10510	2.6
403.55981	0.4
421.13342	1.2
479.55228	0.5
537.30444	15.3
581.33942	0.4
627.32843	0.4
688.01691	0.4
699.35632	100.0
700.36060	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	699.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50670	0.2
55.05509	0.3
59.33891	0.2
62.21579	0.2
62.90863	0.2
67.05515	0.4
67.23024	0.2
69.80255	1.3
79.05504	0.3
81.07079	0.4
91.05511	0.4
94.33761	0.2
95.08594	0.2
96.64574	0.2
97.02926	0.2
98.20786	0.4
109.10201	0.3
110.15160	0.2
131.08664	0.2
133.03465	0.5
145.10112	0.3
173.02969	0.3
185.04289	0.8
194.54782	0.2
259.08087	0.2
263.28757	0.2
301.20135	1.7
319.21497	0.4
347.09689	0.8
365.10571	0.2
375.24872	0.5
421.13284	0.3
445.93774	0.2
453.74564	0.2
459.84671	0.2
537.30377	18.2
538.30707	0.8
699.35645	100.0
700.36133	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	699.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72405	0.3
53.03959	0.6
53.06525	0.3
55.01881	0.5
55.05515	0.7
57.03442	1.4
59.05016	0.4
60.96142	0.3
61.02937	3.4
67.05510	2.7
69.03432	1.8
69.07075	1.2
70.19324	0.2
71.01371	0.4
71.04989	1.5
72.46758	0.3
73.02928	2.4
79.05500	3.6
81.03423	3.6
81.07068	2.0
83.04990	0.9
83.08646	0.4
85.02907	3.8
85.06545	0.4
87.63049	0.3
91.03957	2.0
91.05486	2.5
93.07055	2.8
95.04979	1.1
95.08627	0.9
97.02905	3.1
97.06548	1.0
97.10174	0.4
99.04521	0.6
101.02394	1.3
105.07036	1.3
107.04963	0.4
107.08605	2.3
109.02914	0.5
109.06570	0.5
109.10172	0.5
111.08118	0.3
117.07009	0.4
119.08601	1.3
121.06574	0.3
121.10159	1.8
127.03961	0.9
129.07031	0.5
131.08591	1.0
133.10153	1.0
135.11694	2.9
137.73885	0.3
145.05038	0.3
145.10139	0.6
147.11710	0.9
149.09622	1.0
155.83063	0.3
157.10190	1.1
163.11195	0.4
175.11179	0.8
181.12326	0.4
185.04221	0.3
193.12288	1.0
203.05389	0.4
221.11649	0.8
243.08449	2.2
245.38155	0.3
255.15895	0.4
259.07990	0.4
267.15967	0.8
283.15228	3.3
339.17938	0.8
372.45648	0.3
439.19406	8.5
469.20453	0.5
501.23145	8.2
501.30429	0.5
502.23581	0.4
699.35638	100.0
700.35992	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	699.288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36868	1.6
53.03946	4.4
55.01868	2.5
65.03938	3.2
67.01873	2.3
67.05495	5.9
69.07039	2.8
69.46136	7.8
69.46553	5.8
70.06603	2.5
70.55618	1.8
75.09095	1.9
79.05472	2.7
80.05000	2.8
81.07084	3.4
85.02896	5.1
91.05473	9.9
93.07027	5.5
94.06560	7.1
95.04983	6.5
95.08603	3.0
98.21590	2.0
103.05464	1.8
105.03399	16.6
105.07048	2.8
107.04978	3.1
107.08561	2.5
108.04481	5.6
108.08134	2.2
109.10144	2.2
110.06046	6.0
111.08098	6.5
116.11893	1.8
119.04984	2.0
120.08096	2.5
122.06034	10.6
123.04456	1.9
123.08032	2.1
124.07622	3.0
132.08076	3.3
134.05829	1.9
134.09651	3.5
135.04478	2.4
135.08078	3.4
136.03972	4.1
136.07585	8.2
137.05991	10.7
138.05544	13.3
140.07062	8.0
144.08084	4.4
145.02777	2.3
148.07574	2.7
150.09111	2.9
152.07016	2.4
152.10626	3.5
153.05542	2.4
154.05006	73.9
154.08604	6.5
155.03445	2.8
158.06049	16.6
160.07585	15.5
161.05978	2.2
162.09131	26.6
163.07465	2.6
166.08659	4.1
167.07184	2.4
172.07622	3.0
174.09122	2.9
176.07130	2.5
177.05481	3.8
178.08551	2.9
180.10182	20.2
184.07649	2.7
187.64105	2.0
190.08606	6.3
200.07082	4.8
202.05138	2.0
202.08615	4.1
204.06543	3.2
205.09613	2.3
206.08249	2.1
208.09695	73.5
218.08148	53.7
219.08685	3.5
220.09558	2.8
222.08984	2.2
225.10196	2.2
229.09634	2.6
236.09084	11.5
237.10086	3.4
244.06070	6.1
245.09164	3.0
246.07611	16.7
247.10768	3.2
250.08487	3.4
250.10760	36.3
251.11652	3.3
254.04573	1.8
258.07660	4.9
262.10828	2.0
263.07874	7.4
263.11584	3.3
264.08762	5.9
264.12308	3.4
265.09674	7.9
266.10431	2.7
267.11218	3.1
275.10226	2.9
276.08710	6.1
277.09576	2.2
279.07666	3.0
279.11261	8.0
283.10541	2.4
286.07034	9.6
291.09818	2.7
293.08817	25.5
293.11526	6.4
294.10049	3.6
303.09760	16.8
303.13022	3.5
307.10663	4.8
309.11743	3.6
310.10406	1.9
311.09976	2.9
311.13232	2.3
315.13544	3.2
321.12048	5.9
325.11783	7.1
327.13342	4.4
335.12338	6.0
337.08185	3.2
337.11731	9.2
338.09042	12.1
339.13300	16.1
353.11322	100.0
354.12036	3.5
355.12900	22.7
357.10803	6.9
357.14572	4.0
365.11224	7.3
368.13452	2.7
369.14246	4.3
370.14462	2.3
371.16220	3.5
375.15485	7.2
377.13287	2.2
383.12381	2.8
385.13962	57.3
386.12769	3.2
401.13504	3.4
407.18057	2.8
424.15060	2.1
443.14670	4.0
456.15912	2.6
460.16895	7.0
461.93011	2.0
474.16611	12.8
475.14926	2.2
476.18246	2.9
488.18124	2.5
492.17542	20.2
493.15878	2.0
494.19235	7.8
506.19235	6.1
509.21219	2.1
510.18771	46.0
511.18292	2.4
524.20386	35.4
525.19037	5.5
535.40582	2.0
542.21198	39.1
613.22491	7.9
631.23822	7.2
645.25165	2.1
649.24976	14.8
667.26410	16.0
681.26648	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	698.287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.9
55.05527	9.5
56.96572	4.1
63.00436	3.2
67.05514	9.8
69.03440	15.2
69.07069	28.3
69.56628	17.9
70.06602	4.0
71.04993	7.8
73.02917	3.2
73.78938	3.6
79.05498	22.0
81.03442	3.9
81.07064	14.6
83.04987	50.2
85.02921	11.9
86.09692	4.2
89.65471	3.0
91.05455	16.3
93.07047	27.8
95.04977	13.9
95.08626	7.3
97.02922	3.8
97.06538	52.6
98.20801	7.4
99.04468	11.2
103.05458	5.2
103.33582	3.7
105.07035	56.9
107.04970	10.3
107.08617	17.2
109.06509	20.9
117.07033	14.1
119.04976	17.8
119.08572	16.1
121.06523	30.3
121.10104	4.2
123.08067	3.5
125.05991	89.3
128.06233	3.7
131.08592	13.8
133.06494	11.4
133.10165	11.9
135.08084	5.9
135.11743	5.2
137.06009	14.0
139.07555	9.7
141.07014	3.9
143.07053	58.1
143.08563	10.5
145.06506	12.4
145.10129	99.9
147.04434	9.8
147.11716	6.3
151.07561	13.6
154.07816	5.9
155.08507	3.9
157.08636	9.3
158.07297	13.0
159.08084	8.3
159.11710	44.4
161.09689	6.7
161.13297	7.2
163.11208	31.4
169.10172	12.3
171.11682	5.0
172.08817	5.2
173.09637	61.6
175.07489	4.0
177.05548	3.7
177.12766	15.9
187.11186	82.9
191.10654	21.6
197.09781	7.2
205.12242	66.5
209.11678	8.0
215.10696	84.2
215.12723	5.7
223.13362	7.9
233.11736	100.0
251.12840	79.3
257.67514	3.5
269.13876	59.2
325.10791	5.8
325.16504	54.5
343.17685	20.4
365.23309	6.4
427.16071	8.0
496.04697	3.7
501.19647	8.4
572.97791	3.9
594.24432	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	697.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.6
71.32904	3.0
80.95785	1.4
81.07034	2.4
91.05482	1.9
93.03188	2.6
93.07063	2.0
94.11209	1.4
95.08607	2.8
121.10196	2.3
145.98312	1.5
149.09412	1.8
161.06039	1.9
190.99538	3.8
201.98773	3.4
214.44167	1.5
244.62941	1.4
257.04251	3.9
307.05643	1.8
381.89444	1.5
391.11276	7.4
397.16199	2.3
409.16336	5.1
425.15161	2.3
427.17361	7.6
477.22235	2.6
516.11139	1.5
527.27338	8.5
545.28711	37.0
559.23083	5.4
563.29846	100.0
564.30231	2.5
581.30847	36.1
661.35199	2.1
679.36115	34.8
680.36230	2.1
686.75110	1.6
697.37000	61.2
697.51141	5.3
698.36700	2.9
715.61206	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.1
55.01861	6.4
55.05521	10.8
57.07109	2.5
64.23328	2.0
67.05492	9.7
69.03415	9.3
69.07076	27.9
69.79299	12.4
70.06610	3.1
71.04999	6.1
78.79461	2.2
79.05492	20.4
81.03419	4.5
81.07069	14.7
83.04990	72.9
85.02901	6.4
85.06544	2.7
91.05482	20.2
91.98989	2.1
93.07053	23.3
95.01371	3.1
95.04973	11.7
95.08618	7.6
96.63613	2.2
97.02905	5.7
97.05924	3.5
97.06541	62.1
98.20755	4.3
99.04462	13.9
99.08089	6.6
100.11268	16.4
101.06027	4.9
105.07036	56.2
107.04987	11.1
107.08601	13.4
109.02885	4.2
109.06522	15.9
111.04433	2.3
111.08138	2.3
111.83806	2.1
115.05505	3.3
117.07015	11.9
119.04956	8.6
119.08609	13.9
121.06518	41.5
121.10172	5.3
123.08072	3.4
125.06005	99.6
127.07529	2.5
128.07150	2.2
129.05460	3.0
129.06996	6.2
130.07805	5.3
131.05025	3.0
131.08574	17.9
133.06523	10.6
133.10135	11.3
135.04401	4.3
135.11699	5.3
137.06035	10.4
139.07523	7.7
141.06935	2.5
143.07056	70.0
143.08522	9.2
144.09431	4.2
145.06476	12.0
145.10144	100.0
147.04346	2.4
147.08052	3.9
147.11714	8.1
149.05968	2.7
151.07561	13.7
154.07765	4.5
155.08522	5.3
157.10141	2.6
158.07321	14.3
159.08032	9.9
159.11696	40.8
161.06123	3.1
161.09605	3.3
163.11180	41.0
169.10101	12.2
171.08034	2.9
172.08818	4.8
173.09631	73.8
174.10022	2.3
177.12766	15.1
179.08641	4.2
181.12259	2.7
182.07227	3.1
182.15344	5.9
187.09515	3.6
187.11201	69.0
189.12730	5.0
191.10689	30.7
193.15887	3.8
197.09662	12.7
197.57607	2.8
205.12267	58.9
209.11752	8.4
209.16611	2.2
210.14926	4.6
211.15259	2.7
215.10695	73.4
223.13319	4.1
228.13756	6.6
233.11745	87.2
237.14461	9.5
237.64433	3.2
246.14941	31.0
246.65033	3.0
251.12807	51.4
269.13864	8.2
287.05463	4.1
307.15201	3.6
309.06244	2.5
325.10767	3.8
325.16461	42.1
337.07040	2.5
343.17688	11.8
427.15958	4.2
447.15646	3.6
472.31665	27.6
472.81921	3.7
697.52612	11.7
698.52435	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	697.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30901	0.2
53.03952	0.5
53.99470	0.2
55.01865	0.6
55.05520	1.3
57.03444	1.9
60.08106	0.2
61.02643	0.3
61.02930	4.2
61.49466	0.2
67.05512	2.1
69.03433	2.9
69.07062	0.7
70.06588	0.3
71.01355	0.3
71.04984	0.7
71.40977	0.3
71.41315	0.3
72.78476	0.2
73.02917	3.0
73.09838	0.2
78.49786	0.2
79.05497	2.2
81.03419	5.0
81.07059	2.6
83.04975	1.2
83.08636	1.7
85.02914	6.1
86.09727	0.2
87.04463	0.3
91.03959	2.7
91.05494	3.0
93.07051	1.6
95.04974	2.2
95.08602	1.0
97.02892	3.9
97.06525	0.5
97.10188	0.3
99.04468	0.9
99.08103	0.2
101.02388	1.6
105.07037	2.1
107.04926	0.5
107.08597	0.8
109.02882	0.6
109.06496	0.5
111.08091	0.7
115.05466	0.2
119.08583	1.8
121.10152	0.7
122.09650	0.2
123.11756	0.3
127.03931	0.9
129.05515	0.3
129.07002	1.1
131.08603	1.1
133.06509	0.3
133.10129	1.4
135.80225	0.2
137.05998	0.6
142.07808	0.4
145.04997	0.3
147.08087	0.4
147.11723	1.7
149.09636	0.6
151.07587	0.3
157.10139	1.4
165.12831	0.3
173.83131	0.2
175.07616	0.3
175.11150	1.1
185.04262	0.3
193.12285	2.2
203.05362	0.3
211.13361	1.0
243.08441	1.8
251.12663	1.7
269.12469	0.5
285.16992	0.4
301.09204	0.3
303.05081	0.4
305.07980	0.2
307.15134	0.4
325.25235	0.2
380.20410	0.2
469.20483	12.4
535.29321	0.3
622.19348	0.2
697.34052	100.0
698.34332	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	697.341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01867	0.4
55.05503	1.0
56.96576	0.3
57.03434	1.7
61.02927	3.3
67.05509	2.5
69.03438	2.3
69.07066	0.6
70.59475	1.0
71.05000	0.6
73.02930	3.0
74.08607	0.3
74.34509	0.3
79.05501	2.3
79.19283	0.3
81.03424	6.3
81.07059	3.0
83.04984	1.3
83.08614	1.8
85.02908	5.8
85.03378	0.5
85.06530	0.3
86.55730	0.3
91.03963	2.1
91.04442	0.3
91.05494	2.9
93.07052	2.1
95.04974	2.4
95.08614	1.3
97.02898	3.4
97.06545	0.4
99.04490	0.5
101.02368	1.4
105.07030	2.4
107.04979	0.5
107.08603	0.9
109.02877	0.6
109.06541	0.5
109.10223	0.7
111.08090	1.2
119.04906	0.3
119.08592	2.0
121.10167	1.3
125.09628	0.4
127.03917	1.6
129.07019	0.5
131.08598	1.1
133.06525	0.4
133.10141	1.1
135.11673	0.3
145.04977	0.3
147.08051	0.4
147.11678	1.8
149.09637	0.7
157.10126	1.4
163.11151	0.3
165.12854	0.4
175.11179	1.5
185.04114	0.4
193.12247	3.4
211.13297	2.1
229.14333	0.7
237.31560	0.3
243.08446	2.0
243.10782	0.3
251.12625	3.5
259.48816	0.3
267.16052	0.7
269.12543	0.4
285.10205	0.4
285.17072	0.4
307.15204	0.9
450.29984	0.3
469.20502	14.2
470.20953	0.4
535.29272	0.5
697.34027	100.0
698.34344	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	697.341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45329	1.0
57.02702	1.0
57.03440	2.9
61.02930	7.9
67.05503	12.4
69.03427	5.3
69.07079	1.3
73.02915	4.3
79.05495	3.0
81.03407	3.2
81.07082	5.3
83.08601	1.6
85.02929	8.2
91.03966	4.0
91.05474	1.5
93.07069	3.8
95.08591	3.2
95.98994	1.0
97.02912	6.7
99.04461	2.1
101.02388	3.1
102.26276	1.0
107.08631	2.0
109.02863	1.5
109.10150	7.8
117.07034	1.2
119.54422	1.3
121.10145	1.2
123.77200	1.3
127.03886	1.9
129.05516	1.4
133.10202	1.5
173.11777	1.2
181.04794	1.1
185.04298	2.7
195.09915	1.2
201.03780	2.4
201.78865	1.1
229.14432	1.6
235.13123	1.9
243.08519	2.2
246.14241	1.2
301.08932	5.5
315.10672	3.0
338.71155	1.2
358.66867	2.3
369.15179	1.6
371.16922	3.6
373.11081	2.5
385.18509	2.4
413.17880	16.0
425.21661	2.6
429.17267	1.7
443.18893	1.1
453.20950	8.2
463.26550	2.3
476.68481	1.1
484.22409	1.9
485.19736	8.3
497.23608	2.0
499.21490	2.5
541.26300	4.0
553.29846	2.7
567.31415	26.0
568.32288	2.0
596.31635	9.8
597.32428	2.5
623.34003	1.8
625.32001	100.0
626.32318	4.7
628.30676	4.1
651.33539	8.2
653.34900	1.5
697.34082	38.0
698.34277	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82557	3.4
69.07037	3.1
70.06598	3.5
70.78886	4.1
70.79231	6.4
85.02917	3.9
87.99803	2.7
94.06527	2.6
95.04955	3.3
100.11224	2.9
122.06055	17.2
125.09818	2.8
137.06044	3.9
140.07101	18.5
146.05997	5.3
154.05066	3.8
156.59554	3.0
172.03929	11.4
174.05469	12.6
176.07060	4.3
185.36859	3.1
189.54738	3.0
204.06667	17.4
204.08374	3.5
205.12306	3.0
206.08128	7.9
208.09772	4.5
237.10217	8.1
241.09654	3.3
243.11259	9.4
249.10207	3.4
251.11823	13.3
253.09767	5.3
265.06119	2.9
265.09799	17.2
267.11212	5.1
277.09863	4.6
278.10513	5.9
279.07755	4.4
279.11301	17.3
280.12131	7.4
281.12991	4.3
283.10693	5.4
285.12350	12.5
285.18112	3.0
293.09494	5.7
293.12869	8.4
294.10132	3.5
295.10751	4.8
295.14258	3.9
297.12286	7.6
299.10229	3.6
303.13440	29.9
307.10556	3.4
309.12305	6.5
311.10056	3.8
311.13748	4.4
312.11026	8.3
313.11905	21.4
325.11746	12.3
327.13391	39.7
331.12906	6.8
335.10321	3.4
337.11993	7.7
339.13440	83.3
340.13956	5.7
345.14401	14.7
347.16266	4.5
353.11432	9.3
367.12958	65.5
368.13696	9.6
374.14835	4.7
385.13840	8.9
386.15240	4.6
387.16092	4.1
399.15442	17.0
406.17697	3.6
411.44583	3.1
414.14377	6.9
415.15256	13.2
416.16043	12.4
430.17734	3.3
456.15768	5.5
474.16592	14.8
475.17154	7.4
476.18201	6.5
506.18686	3.7
508.13699	4.7
508.20844	80.9
509.20746	4.5
526.21783	4.0
540.23529	100.0
615.24585	69.7
616.25098	4.3
647.26514	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	696.417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
55.05305	1.6
55.05520	18.9
57.03452	7.1
57.07086	9.4
61.02644	2.1
61.02932	25.9
65.03950	3.8
67.05512	75.4
69.03434	5.0
69.07075	28.3
69.07447	1.2
71.05006	2.4
71.08633	6.3
71.25179	3.1
73.02914	9.2
75.04465	1.3
79.05501	19.8
81.03420	3.4
81.07062	87.9
83.04969	3.1
83.08624	23.7
85.02911	30.9
85.06530	2.4
85.10191	3.2
91.03967	25.7
91.05480	17.1
93.07058	27.2
95.04956	1.6
95.08612	81.1
97.02895	12.1
97.06531	7.3
97.10168	13.4
98.20813	1.6
99.04443	2.2
99.08104	4.6
105.07036	12.0
107.08608	19.1
109.02831	1.7
109.10168	38.7
111.08076	3.3
111.11705	4.0
113.09650	2.7
115.03921	1.6
119.08591	13.0
121.10162	20.8
123.11716	21.1
125.09648	2.1
127.03946	10.2
127.11196	1.4
133.10138	20.5
135.11696	12.9
137.09662	1.8
137.13254	9.6
139.11237	1.9
139.14813	2.0
141.12759	2.1
145.04974	11.5
145.10243	1.8
147.11705	12.9
149.13261	12.3
151.14818	7.3
155.14294	4.0
156.83862	1.5
161.13245	15.4
163.06036	18.0
163.14833	11.7
165.12798	1.6
165.16380	11.4
167.14372	2.7
170.83339	1.2
175.14859	10.0
177.16360	1.4
179.14365	1.8
179.17976	7.0
181.15912	1.4
189.16411	4.5
193.15932	2.0
203.17938	2.8
211.05153	1.2
245.22670	63.6
247.24281	1.5
263.23727	100.0
264.24158	2.7
265.25378	2.1
281.24744	2.9
337.27399	71.0
355.28433	11.8
371.25778	1.5
481.31335	1.9
499.32941	3.5
526.57721	1.5
610.17737	1.6
658.39124	1.4
696.36273	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	696.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.9
55.01877	2.5
55.05518	16.7
57.03425	5.6
57.07057	8.2
59.12319	2.1
61.02932	24.9
67.05508	59.5
69.07068	23.5
71.08614	4.8
71.54646	3.3
71.54992	2.3
73.02905	9.4
76.31123	2.0
79.05501	18.0
80.48106	2.4
81.03394	3.3
81.06590	3.8
81.07060	75.4
83.04962	2.1
83.08623	16.3
85.02909	32.8
85.06536	3.1
91.03464	3.1
91.03963	25.0
91.05488	15.6
93.07045	24.0
93.74674	2.0
95.04938	3.5
95.08614	61.3
97.02905	15.0
97.06522	5.1
97.10172	13.3
99.08070	3.6
105.07008	10.2
107.08586	12.4
109.10150	33.1
111.11724	4.0
113.09619	2.8
119.08568	12.2
121.10145	18.5
123.11730	19.7
127.03901	9.2
133.10106	14.2
133.25580	2.5
135.11713	12.9
137.13237	10.1
145.04938	13.8
147.11699	11.1
149.13216	8.3
151.14803	6.1
155.14333	2.7
161.13197	11.8
163.06041	23.7
163.14792	8.5
165.16353	8.1
175.14819	9.1
179.03406	2.3
179.17888	6.6
189.16360	5.0
220.85091	2.5
227.66533	2.5
245.22656	73.9
263.23712	100.0
265.25458	2.7
337.27359	50.6
349.16913	5.5
355.28433	10.9
400.67145	2.4
470.55814	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	695.3254
Annotation	Adociasulfate 2
Peak:m/z	Relative Intensity
50.86776	0.5
53.03939	0.8
55.01879	0.6
55.05505	1.5
56.96556	0.8
57.03435	1.3
57.41970	0.4
60.68153	0.4
61.02931	3.1
67.05505	3.6
69.03439	2.3
69.07063	0.8
71.04994	0.8
73.02935	2.4
79.05504	3.8
81.03432	4.4
81.07066	3.2
83.04987	0.7
83.08632	1.3
85.02914	5.4
91.03954	1.9
91.05501	3.1
93.07069	3.4
95.04986	1.8
95.08624	2.4
97.02914	3.3
99.04471	1.0
101.02390	1.4
105.07072	2.3
107.04972	0.7
107.08614	2.6
109.02852	0.8
109.10148	0.7
111.04441	1.0
111.08100	0.9
117.07058	0.8
119.08591	2.2
121.10178	1.2
127.03955	1.3
129.06966	0.6
131.08553	1.4
133.10138	1.3
135.11691	2.6
145.10143	1.8
147.11681	0.9
157.10149	1.1
163.11217	3.9
175.11218	1.0
181.12268	0.7
193.12268	1.4
211.13373	0.7
227.12830	2.2
243.08418	2.3
249.11032	7.7
251.12535	0.7
255.98062	0.5
305.13766	1.9
307.15408	0.6
334.12790	0.6
462.29315	1.1
467.18961	8.2
469.20477	9.2
533.27606	0.6
695.32489	100.0
696.32819	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
54.58998	0.7
55.01875	0.9
55.05507	3.1
57.03436	3.4
60.85282	0.8
61.02921	4.0
65.03938	0.9
67.05507	8.7
68.05817	0.9
69.03436	2.4
69.07085	1.3
69.37224	2.8
69.37646	4.2
71.04996	3.2
73.02919	2.2
79.05499	5.4
81.03423	8.3
81.07058	6.0
82.03735	1.1
82.07421	1.0
83.04978	2.8
83.08631	2.7
85.02395	0.8
85.02892	5.5
85.54047	0.9
86.09722	1.4
91.03941	3.0
91.05482	5.5
92.05871	0.7
93.07063	5.9
95.04976	5.4
95.05487	0.8
95.08637	4.2
97.02891	3.5
97.06531	1.0
99.04459	0.9
101.02365	1.2
105.07034	3.6
107.04978	1.5
107.08601	3.4
109.02901	0.9
109.10182	3.0
115.05458	0.9
117.07023	1.4
118.71037	0.8
119.08598	3.5
121.10151	2.7
122.10596	0.9
123.08131	1.0
127.03933	1.4
129.07036	1.9
131.08630	1.4
133.10167	3.0
135.11674	4.1
137.09607	1.0
145.10159	1.8
147.11745	1.9
149.09583	0.8
157.10123	1.8
163.11240	3.7
184.07336	2.1
193.12250	3.8
211.13278	3.1
227.12874	2.4
233.81807	0.9
243.08443	2.5
249.10994	4.5
251.12692	1.5
267.15903	2.4
268.16284	1.7
305.13794	1.6
439.27258	1.1
440.27429	3.4
448.27679	2.6
454.29095	1.3
462.29141	2.0
466.28778	1.9
467.18875	8.4
468.19156	1.1
469.20636	8.4
480.30057	1.4
498.31528	1.6
533.27264	1.1
695.32367	100.0
696.32715	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	695.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46112	0.3
53.03953	0.6
55.01866	0.9
55.05508	1.4
56.96545	0.4
57.03441	2.3
59.04980	0.4
61.02634	0.5
61.02929	5.2
67.05510	3.9
67.14075	0.3
68.05846	0.5
69.03444	2.7
69.07062	1.3
69.31223	2.7
71.01363	0.5
71.04996	1.0
73.02919	3.4
79.05498	3.5
81.03423	5.3
81.07056	4.0
82.03750	0.5
82.07388	0.7
83.01338	0.4
83.04996	1.1
83.08623	2.2
83.72653	0.4
85.02905	6.2
85.06551	0.5
91.03957	2.4
91.05490	4.3
93.07043	3.1
94.07331	0.3
95.04987	2.4
95.08617	1.8
97.02895	4.7
97.06511	0.7
97.10183	0.5
99.04457	1.6
101.02400	1.4
101.44784	0.3
103.03944	0.5
104.61347	0.3
105.07052	2.1
107.04965	1.5
107.08595	1.7
109.02896	1.0
109.06519	0.8
109.10164	1.4
111.08152	0.4
113.05983	0.3
115.84048	0.4
117.07027	0.9
119.08587	2.1
121.10154	1.4
123.08085	0.7
127.03935	1.3
128.06195	0.3
129.07021	1.3
131.08585	1.2
133.10161	1.2
135.08093	0.5
135.11722	1.2
145.10144	1.2
147.08089	0.5
147.11714	1.0
149.09645	0.5
153.12672	0.5
157.10144	0.6
163.11206	2.2
175.11215	0.9
180.57265	0.3
182.14716	0.3
184.07321	0.6
185.04214	0.4
193.12292	1.3
211.13272	0.7
227.12640	0.5
243.08473	1.8
249.11040	0.5
251.12524	0.6
267.09039	0.7
267.15985	1.2
268.16177	0.7
269.10638	0.3
269.17566	1.1
270.17871	0.7
283.15356	0.6
285.10071	0.7
285.17004	0.5
344.86984	0.3
440.27280	0.9
448.27469	0.4
456.81921	0.4
461.28662	0.5
462.29395	1.9
467.18927	6.6
469.20569	6.2
498.31464	0.4
534.53705	0.3
695.32440	100.0
696.32813	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	694.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.6
55.01868	3.0
55.05517	16.8
57.03450	6.4
57.07073	1.5
62.99735	0.9
65.03931	3.5
67.05511	59.8
69.03419	2.4
69.07074	15.8
69.17767	5.5
69.18195	5.4
71.04998	8.7
79.05500	40.7
81.06586	2.6
81.07064	50.2
83.04965	2.2
83.08625	12.4
85.06531	3.7
91.05488	30.8
93.06478	2.2
93.07052	42.6
93.07633	2.4
95.04984	5.6
95.08611	30.0
97.06554	7.4
97.10194	5.7
99.08105	1.3
105.04522	1.6
105.07041	19.8
107.04967	1.9
107.08607	25.1
109.06521	2.6
109.10172	19.3
111.08108	3.2
117.07019	9.5
119.08595	14.4
121.06467	1.7
121.10146	17.0
123.08094	1.5
123.11718	3.0
125.09621	4.7
129.07018	2.5
131.08594	10.8
133.10146	12.7
135.08099	1.6
135.11700	10.4
137.09589	1.8
143.08585	3.1
145.10127	10.1
146.58549	1.2
147.11676	6.7
149.09612	4.4
149.13280	6.5
151.11127	1.2
151.97986	1.1
153.12784	1.2
157.10144	2.6
159.11700	8.2
161.13257	3.2
163.11211	1.5
163.14793	2.0
169.10133	1.6
171.11671	2.3
173.11702	3.2
173.13214	2.6
175.14819	1.6
177.12770	2.5
183.11681	1.3
185.13232	1.1
187.14838	2.6
189.11224	2.5
195.13823	2.1
197.13234	1.3
201.16486	1.3
211.80034	1.2
220.09927	1.3
227.12804	9.9
229.14357	16.6
257.19019	4.1
261.22192	5.9
275.20135	12.9
293.21078	1.7
307.22733	1.4
331.22952	1.1
335.25784	29.3
349.23718	9.3
350.35840	1.1
381.26404	1.5
431.31479	1.3
489.35953	9.3
505.35318	1.2
529.38940	100.0
530.38916	5.5
569.41626	5.2
583.80243	1.1
609.45282	9.7
641.47485	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	694.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.01874	2.0
55.05516	7.7
55.87698	0.7
57.03440	13.8
57.07080	1.1
58.06207	0.7
65.03933	1.4
65.71915	0.7
67.05507	28.4
69.03430	1.8
69.07076	7.9
70.66264	1.3
70.66599	1.6
71.01357	1.6
71.04994	4.2
79.05495	25.6
80.97682	0.8
81.03420	43.3
81.07064	13.6
83.04979	6.8
83.08625	10.3
85.02913	2.0
85.06536	1.7
86.09706	1.0
91.05482	16.0
91.25979	0.7
93.07051	26.5
95.04980	12.3
95.08615	5.9
97.02924	1.4
97.06538	6.9
97.10165	7.6
99.04439	1.0
99.08126	1.4
105.04510	0.9
105.07035	8.3
107.04962	3.0
107.08605	17.3
109.06516	2.5
109.10144	5.7
111.04436	2.0
111.08058	5.8
115.59950	0.7
117.07013	4.4
119.08588	9.0
121.06507	3.0
121.10148	6.3
123.08049	1.2
125.09621	2.0
129.07005	3.1
130.32935	0.8
131.08556	3.4
133.06512	1.5
133.10124	4.1
135.08086	1.1
135.11700	28.9
137.09634	2.3
142.07797	1.4
145.10133	7.1
147.08057	1.5
147.11757	4.5
149.09660	2.3
153.12764	1.4
155.36118	0.7
156.73518	0.7
157.10170	5.4
163.11192	5.2
175.11159	5.7
181.12248	6.4
193.12250	12.0
199.13425	0.8
199.78798	0.7
211.13335	0.9
227.12892	1.1
235.13339	0.7
249.14769	1.7
255.15923	71.5
256.16333	1.1
258.73593	0.8
267.15924	40.4
285.17227	0.9
308.65384	0.7
314.68445	0.7
355.22748	1.3
374.67422	0.7
403.24677	2.3
421.25809	7.0
429.26016	1.0
439.26657	1.1
447.27448	100.0
448.27896	2.6
465.28516	3.9
489.28384	1.8
497.31161	1.5
555.29346	1.1
695.32349	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48294	7.1
57.07111	6.8
70.67831	24.8
77.15958	7.8
83.34747	8.6
120.75613	7.6
153.88104	9.0
206.63950	8.0
235.08861	9.0
347.01123	7.9
447.17743	10.4
459.22037	18.8
475.21423	22.4
491.20673	11.5
506.30087	8.8
517.39423	8.6
519.24048	13.2
576.21667	8.9
579.25140	10.7
605.25006	10.3
606.28235	19.2
609.27728	13.7
622.27856	100.0
623.27631	15.0
637.26135	19.9
638.26941	21.9
667.26178	9.2
700.60748	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	694.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
54.90926	0.9
55.05515	10.5
57.03439	4.5
57.07065	3.4
61.02931	23.4
61.22205	1.0
64.90035	0.9
65.03931	1.6
67.05509	46.6
69.03419	3.6
69.07080	7.9
70.24483	1.6
70.24889	2.6
71.05000	2.0
71.08631	1.7
73.02921	7.2
79.05497	31.6
81.07062	61.1
83.08615	5.4
85.02909	29.7
85.03427	1.1
85.06540	1.9
91.03960	27.7
91.05488	15.9
91.81972	0.8
93.07047	46.6
95.04947	1.3
95.08613	44.7
97.02902	13.6
97.06523	2.9
97.10162	4.2
99.04500	1.6
99.08079	1.8
105.07040	13.8
107.08600	28.7
109.10165	25.2
111.08091	1.8
113.09592	1.1
115.03900	1.5
116.03343	0.9
117.07005	6.9
119.08604	12.4
121.10148	30.1
123.08064	1.9
123.11714	14.4
125.09638	2.2
127.03939	8.6
129.87592	0.9
131.08571	16.9
133.10130	12.6
135.10699	1.3
135.11699	24.7
137.09631	2.5
137.13280	5.6
138.63206	0.9
139.11250	1.5
145.04971	11.2
145.10127	13.2
147.11687	10.9
149.13275	19.2
149.17859	0.9
151.11147	1.5
151.14867	2.5
153.12788	1.3
157.60957	0.9
159.11691	10.1
161.13269	10.7
163.06026	20.0
163.14833	15.8
165.12785	3.1
173.13254	12.5
175.14812	3.3
177.16373	3.7
179.14287	2.8
187.14787	8.5
191.14395	1.8
201.16370	3.3
205.15868	1.6
215.17947	1.3
219.17404	1.7
233.22656	2.9
243.21100	34.7
261.22156	100.0
262.22491	2.1
263.23495	1.0
279.23206	2.1
299.66666	0.9
335.25833	18.3
353.26892	49.1
404.49951	0.9
459.36072	1.0
497.31064	2.0
577.46600	1.0
638.14978	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95430	0.6
72.50339	0.5
79.05515	0.7
93.97543	0.6
98.20705	1.1
101.35078	0.7
188.21518	0.7
198.91579	0.6
229.37253	0.8
631.11548	0.8
693.34619	100.0
694.35089	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	693.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
53.26126	0.5
55.05510	1.7
57.03427	2.1
57.07082	0.6
60.40898	0.5
61.02929	6.3
66.77557	0.5
67.05511	8.5
69.03440	3.6
69.07076	2.3
69.37341	0.8
69.37751	3.3
71.04980	1.2
73.02920	3.9
74.96156	0.5
79.05489	2.1
81.03419	2.1
81.07069	5.9
82.43533	0.6
83.04979	0.6
83.08615	1.6
85.02914	5.2
86.98524	0.4
91.03957	4.2
91.05485	1.5
93.07046	2.4
95.08606	3.8
96.08971	0.7
97.02898	4.8
97.10169	0.6
98.20763	0.8
99.04465	1.0
101.02383	1.9
105.07066	1.1
107.08607	1.3
109.02887	1.3
109.10165	5.6
115.03961	0.5
119.08544	1.1
121.10149	0.7
127.03931	1.8
131.08589	0.5
133.10158	0.8
135.11699	0.5
144.93829	0.5
147.11697	0.8
161.06160	0.6
173.11784	0.7
185.09433	0.5
195.10019	0.8
203.55873	0.5
210.14957	0.5
243.08488	2.1
337.27545	0.9
353.64417	0.5
413.17712	4.7
425.01907	0.6
521.30835	8.0
693.41724	100.0
694.42407	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	693.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01871	1.4
55.05504	3.9
56.96555	1.6
57.03445	2.5
61.02923	3.3
67.05511	9.8
69.03435	1.9
69.07063	2.4
71.04998	1.4
71.55517	2.2
73.02915	2.3
73.08901	1.1
79.05495	7.1
81.03427	7.1
81.07079	6.7
83.04991	1.9
83.08619	3.1
85.02905	4.9
91.03974	1.2
91.05481	4.1
93.07054	10.1
95.04962	1.6
95.08610	5.7
97.02885	4.8
97.06545	1.3
99.04467	1.3
105.07023	4.0
107.04989	1.9
107.08582	6.0
109.10120	2.5
117.07034	1.3
119.08604	4.4
121.06513	1.2
121.10142	2.7
127.05405	1.2
129.06961	1.2
131.08562	1.2
133.10144	1.5
135.11707	9.3
144.06938	1.3
145.10167	6.2
147.11659	1.4
149.73511	1.2
155.54207	1.1
163.11208	9.8
181.12265	2.1
193.12448	1.6
227.12840	8.6
229.00534	1.4
243.08363	1.8
249.11029	9.3
267.15927	2.8
269.17584	1.5
285.17078	2.0
285.20529	1.3
286.17230	1.7
305.13708	4.9
378.45642	1.2
385.82379	1.3
454.96786	1.3
455.02975	1.4
460.28403	1.2
467.18915	27.9
478.28702	1.7
495.30081	1.7
496.30075	4.9
693.30737	100.0
694.30792	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	692.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08413	0.9
53.03944	3.7
55.01878	7.7
55.05515	35.6
57.03169	0.9
57.03434	18.9
57.07079	2.0
59.04996	4.1
61.02929	8.4
65.03942	2.8
67.05509	100.0
69.03419	4.6
69.07077	18.8
70.83356	2.5
71.04997	7.4
73.02931	6.3
79.05498	40.0
81.03422	14.7
81.07063	76.4
83.04995	9.4
83.08624	20.3
85.02912	16.4
85.06553	6.2
87.04471	5.7
91.03941	3.0
91.05482	29.2
93.07053	41.5
93.07639	2.6
95.04984	7.5
95.08613	23.9
97.02909	7.5
97.06540	14.4
97.10170	15.7
97.59222	1.1
98.88226	1.0
99.08092	1.6
103.03922	1.5
105.07046	13.0
107.04945	4.4
107.08602	28.2
109.06488	1.9
109.10163	55.5
111.04430	1.5
111.08087	10.0
117.07027	9.2
119.08583	10.7
121.06519	2.8
121.10156	11.6
123.08038	2.8
123.11716	4.4
125.09644	17.0
126.73651	1.1
127.03908	1.4
129.05478	5.4
129.07018	2.1
131.08577	11.3
133.10146	14.2
135.08047	2.6
135.11691	11.7
137.09621	3.7
143.10669	2.1
145.10155	5.4
147.07967	1.8
147.11693	7.0
149.09653	2.6
149.13252	14.0
150.51053	1.1
151.11107	1.4
152.56290	1.0
153.12767	2.9
155.08600	1.2
155.10672	6.7
159.11711	7.4
163.11218	10.1
165.12770	2.6
167.14313	1.3
173.09579	2.1
173.11771	14.0
175.11145	1.4
177.12747	5.1
181.12259	2.2
191.10654	2.9
193.12238	4.0
195.13824	17.1
199.13278	8.5
209.11729	7.6
211.13287	4.1
213.14897	1.8
227.12782	8.4
229.14351	55.5
239.16426	2.4
257.13846	2.6
267.15948	9.0
269.17493	58.7
270.17877	1.7
283.15491	5.5
301.16495	20.7
323.18640	1.4
357.24417	1.7
393.26514	1.9
411.27438	5.7
423.27499	32.9
431.27930	2.5
473.74139	1.1
477.28793	2.6
495.29581	59.0
496.29581	2.0
513.30682	26.0
624.34119	1.3
687.61505	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
55.01865	3.2
55.05263	1.6
55.05511	20.2
57.03441	15.8
61.02922	4.2
65.03927	1.7
67.05510	32.7
69.03431	6.5
69.06766	1.0
69.07072	8.5
69.93929	3.3
69.94319	2.1
71.04991	4.6
73.02917	1.9
73.92711	0.9
78.47540	1.0
79.05497	29.6
81.03423	89.5
81.07063	35.0
83.04989	20.2
83.08143	1.8
83.08624	29.4
85.02912	36.4
85.06543	2.9
85.12672	0.9
87.04436	1.2
91.03957	1.4
91.05486	42.6
93.06482	1.7
93.07048	21.9
95.04974	38.7
95.08616	14.7
97.02893	5.9
97.06535	5.7
97.09623	0.9
97.10164	6.2
99.08089	1.7
105.04505	1.0
105.07034	29.9
106.21375	1.0
107.04941	8.9
107.08607	10.8
109.06528	8.0
109.10152	4.1
110.67020	1.0
111.04441	1.8
111.08092	14.0
113.05997	3.8
115.05426	2.5
117.07011	3.1
119.08588	23.3
121.06503	2.6
121.10134	12.7
123.08060	4.2
123.11707	3.6
125.09625	2.1
129.07010	15.7
131.04799	1.0
131.08572	15.6
133.06473	3.6
133.10146	16.6
137.09605	2.8
137.13203	1.2
139.11174	1.1
141.06888	0.9
142.07800	2.2
145.10103	3.4
147.08031	3.6
147.11702	19.4
149.09622	9.3
157.08942	1.8
157.10132	19.7
163.11147	1.3
165.12704	4.5
175.09764	1.6
175.11198	19.3
193.12259	61.1
194.12573	0.9
211.13300	100.0
212.13751	1.7
227.12682	1.5
229.14188	1.1
236.08620	1.1
249.14787	1.9
267.15921	39.1
285.16986	84.8
336.77185	1.0
349.21576	1.3
367.22818	2.3
385.23657	4.7
394.73254	1.2
459.27414	23.1
477.28491	27.5
495.29578	64.7
496.30243	2.0
620.32538	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
55.01867	5.1
55.05275	1.8
55.05518	27.1
57.03439	16.2
57.07072	1.6
59.04993	3.6
61.02939	8.5
62.06017	1.3
63.07497	1.4
65.03952	3.0
67.05511	100.0
69.03422	3.3
69.06733	1.3
69.07074	16.5
70.59769	3.6
71.01353	1.6
71.05006	16.2
73.02914	5.0
79.05499	40.1
81.03424	11.0
81.07066	94.4
83.04996	7.5
83.08152	1.6
83.08622	22.2
85.02917	13.8
85.06565	6.9
87.04483	2.9
91.03950	2.0
91.05490	32.4
93.07049	48.3
95.04972	7.2
95.08057	1.7
95.08618	21.6
97.02884	5.4
97.06557	9.5
97.10180	11.5
99.08096	1.9
101.06020	1.2
103.03967	2.4
105.04510	1.4
105.07042	11.8
106.61044	1.1
107.04964	3.4
107.08612	28.4
109.06510	2.6
109.10170	43.5
111.08077	4.4
117.07053	6.8
119.08584	8.8
121.06533	2.6
121.10138	10.3
123.11767	6.8
125.09651	11.6
129.05461	3.7
131.08589	10.2
133.10136	16.0
135.08040	1.8
135.11702	9.9
137.09630	3.3
143.10692	2.4
145.10091	3.3
147.11713	4.1
149.13275	15.5
151.11189	3.7
153.12717	2.4
155.10683	3.2
159.11697	9.2
163.11168	7.2
165.12764	2.0
165.61687	1.2
173.11760	11.1
177.12737	4.3
181.12201	3.1
191.10715	1.8
192.94514	1.2
193.12323	2.6
195.13818	15.9
199.13293	4.4
209.11774	4.3
213.14810	2.2
227.12794	4.6
229.14369	42.4
239.16580	2.3
251.16496	1.7
257.13760	1.2
267.15909	4.9
269.17502	58.0
283.15414	3.6
301.16431	14.8
301.20123	5.9
411.27332	4.1
423.27457	30.9
437.23688	1.7
437.29089	22.5
451.30450	3.4
463.30499	7.3
495.29395	27.5
495.33353	17.8
513.30670	14.4
640.37720	1.5
715.06836	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25473	1.5
55.01871	3.4
55.05268	1.8
55.05513	20.4
57.03437	16.3
61.02925	5.5
67.05177	2.0
67.05513	34.6
69.03413	5.8
69.07069	10.7
71.04984	6.9
71.54841	2.7
73.02942	2.6
79.05069	2.3
79.05501	35.9
81.03426	89.0
81.07065	40.6
83.04986	22.8
83.08142	2.6
83.08629	32.0
85.02911	37.2
85.06555	2.1
91.03944	2.6
91.05487	45.1
93.07043	28.3
95.04975	34.9
95.08614	17.6
97.02891	6.9
97.06545	5.7
97.10175	5.2
99.08117	1.9
105.06391	2.7
105.07039	31.7
107.04981	12.0
107.08614	17.0
109.02829	2.1
109.06527	8.1
109.10162	6.8
111.04443	4.9
111.08089	14.2
113.06023	3.5
115.05473	2.2
117.07002	4.2
119.08595	27.1
121.06538	2.9
121.10139	11.5
122.41209	1.7
123.08061	4.3
123.11707	3.6
125.09617	3.1
129.07025	14.8
131.08565	15.1
133.06473	5.1
133.10156	15.1
135.08087	2.2
135.11667	3.2
137.09641	2.0
142.07803	4.6
145.10118	4.3
147.08015	5.2
147.11719	25.6
149.09622	8.3
151.11238	3.2
157.10147	19.4
162.54480	1.5
163.11183	2.1
165.12746	4.5
169.10182	1.4
175.11197	20.5
189.11304	1.6
193.12267	57.7
211.13310	77.6
229.14403	2.4
230.33241	1.8
249.93097	1.7
267.15915	37.4
267.18616	3.0
268.16302	1.5
269.17429	2.9
271.45517	1.8
283.15341	2.0
285.16986	68.6
287.38348	1.8
339.23062	1.6
367.22641	3.1
385.23822	4.6
403.24911	3.2
451.26929	1.8
459.27383	28.8
477.22208	2.7
477.28528	39.7
495.29568	100.0
496.29715	3.6
692.35083	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	691.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62806	1.4
53.03960	9.0
55.01870	5.6
55.05270	1.8
55.05515	30.6
55.61537	1.4
57.03442	14.4
57.07070	3.1
65.03945	5.0
67.05510	83.9
69.03434	23.7
69.07076	27.3
71.05006	9.0
73.02903	1.5
77.03912	1.7
79.05498	57.8
81.03423	48.8
81.04656	1.7
81.07064	100.0
83.04990	27.7
83.08619	14.8
85.02914	8.9
85.06541	4.3
91.05487	46.4
93.07050	68.8
95.04983	12.8
95.08615	50.4
97.02915	15.9
97.06525	10.9
97.10182	4.2
99.04469	5.0
99.08107	3.1
103.05476	2.5
105.06393	2.8
105.07044	37.8
107.04961	6.1
107.08607	37.6
109.02866	9.1
109.06515	6.1
109.10163	23.3
111.04452	6.4
111.08082	4.3
115.05421	2.5
117.07024	16.0
119.04925	1.8
119.08600	23.8
121.06496	6.4
121.10144	27.4
123.04391	2.6
123.08073	3.0
123.11705	12.5
125.05978	1.7
125.09655	2.1
127.03944	7.6
128.06161	2.7
129.05518	11.3
129.06993	10.2
131.04910	2.4
131.08575	20.0
133.06476	4.7
133.10143	22.0
134.10550	1.5
135.08026	5.0
135.11690	15.3
137.09618	3.4
137.13318	1.8
139.11182	1.8
141.06993	1.9
143.08649	7.3
145.06543	3.6
145.10165	16.7
147.08055	4.7
147.11690	18.8
149.09616	3.0
149.13255	18.2
155.08569	4.3
157.10159	8.1
159.08014	2.8
159.11688	15.8
161.05969	2.6
161.09665	3.5
161.13318	7.7
163.11206	2.4
165.12761	6.9
167.08507	1.7
169.10130	3.2
171.08110	2.6
171.11711	4.4
173.13234	7.8
175.11211	4.2
177.12750	8.8
183.11694	4.7
185.13275	5.9
186.14247	1.6
187.14857	3.6
189.12697	1.9
193.12288	1.7
195.12032	1.6
195.13792	7.5
197.13268	2.7
199.11134	1.6
199.14876	2.4
201.16409	2.0
203.14400	2.1
209.13235	1.9
211.15108	1.7
213.12735	2.2
215.14330	1.8
229.58807	1.7
243.21013	2.7
249.14700	2.1
255.96140	1.4
259.20547	2.5
261.15012	2.2
261.22153	7.3
263.76053	1.8
267.15887	6.2
269.17459	20.4
273.18573	2.0
273.22012	2.4
275.16495	2.5
291.19785	4.0
292.20035	3.0
301.21591	3.9
303.23099	2.5
335.25821	27.8
337.27350	4.1
339.17993	4.5
341.24704	1.6
351.22836	1.8
369.24313	6.9
387.25119	3.8
405.26364	2.7
413.21600	9.2
443.27563	3.0
455.35349	1.7
461.29044	3.3
479.29700	5.7
529.38855	38.2
530.38690	2.3
547.39941	1.7
637.40833	3.4
655.42120	3.5
673.43341	11.8
691.44604	10.2
707.37524	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.9
55.01876	4.3
55.05508	32.4
57.03441	13.9
57.07071	4.7
64.80663	3.4
65.03934	5.6
67.05508	85.7
69.03438	24.1
69.07083	25.8
69.35968	19.9
69.36372	4.6
71.04986	9.0
79.05497	56.6
79.22485	2.7
81.03409	30.4
81.07062	100.0
83.04988	24.5
83.08606	12.4
85.02890	8.5
85.06516	4.8
91.05487	45.4
93.06487	4.2
93.07051	66.9
95.04960	13.8
95.08611	50.0
97.02885	10.8
97.06522	9.7
97.10167	5.1
99.04424	4.9
105.07037	37.7
107.04916	4.6
107.08601	37.9
109.02892	8.3
109.06547	8.0
109.10158	23.5
111.04452	6.1
111.08079	8.2
115.05385	3.5
117.07005	15.5
119.08591	21.3
121.06472	3.6
121.10158	28.9
123.11711	8.6
127.03915	7.1
128.06235	4.9
129.05472	9.2
129.06979	7.6
129.33502	3.5
131.08562	28.1
133.06467	3.3
133.10156	18.7
135.11711	8.7
137.09589	4.5
141.06949	3.6
143.08568	10.9
145.10092	14.0
147.11694	17.8
148.73563	2.9
149.09657	5.3
149.13272	21.2
155.08505	4.3
157.10120	8.1
159.08095	6.7
159.11687	19.3
161.13281	6.4
163.11195	4.6
163.14816	3.7
165.12794	4.9
169.10072	6.0
171.11687	7.3
173.13135	6.7
175.11252	2.8
177.12802	6.2
177.75929	2.9
184.07365	3.9
185.13261	4.4
195.13777	8.7
197.13196	4.8
261.21838	3.3
267.16003	8.3
269.17468	27.5
275.16345	2.8
283.15421	4.5
335.25879	21.6
337.27328	4.4
338.29410	3.0
341.24789	3.0
369.24161	8.4
387.25504	6.8
413.21536	4.0
460.00821	3.4
479.29919	5.5
511.13757	3.7
519.36823	6.3
529.38947	47.4
547.39893	3.8
655.41547	6.5
673.42517	13.0
691.44000	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	691.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01852	0.4
55.05517	1.2
57.03435	1.9
57.14801	0.3
61.02927	4.6
67.05509	6.8
69.03429	3.3
69.07064	1.3
70.11781	1.4
71.01338	0.4
71.04995	0.9
73.02923	3.8
79.05491	2.4
81.03415	1.6
81.07053	3.6
83.04992	0.4
83.08630	0.7
85.02905	4.8
87.04463	0.5
90.19317	0.3
91.03962	3.2
91.05508	1.8
93.07050	2.7
95.08611	2.9
97.02890	4.9
99.04470	0.9
101.02386	1.7
105.07030	1.0
107.08625	1.6
109.02869	0.7
109.10167	4.6
111.08096	0.4
115.03909	0.4
117.07042	0.8
118.85892	0.3
119.08608	0.8
121.10162	1.3
127.03926	1.4
131.08546	0.6
133.10185	0.4
135.11725	0.7
155.10648	0.5
155.88788	0.3
173.11790	0.6
185.04222	0.6
195.10033	0.9
243.08340	1.7
311.07388	0.3
335.25879	0.7
413.17865	4.5
519.29272	10.0
543.37640	0.4
691.40253	100.0
692.40845	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	14.0
55.01872	5.9
55.05266	2.2
55.05517	28.7
57.03442	11.8
57.07070	3.9
59.05013	2.3
61.02923	3.7
65.03939	4.5
67.05509	88.2
68.05846	2.8
69.03430	23.6
69.07073	21.5
69.68521	8.5
69.68955	5.6
71.04993	9.9
73.02907	4.1
79.05498	50.9
80.05840	2.1
81.02991	3.1
81.03426	49.4
81.07062	100.0
82.07387	2.7
83.04987	20.5
83.08624	15.2
85.02892	8.7
85.06542	3.6
91.03929	3.7
91.05496	39.4
93.07050	63.7
93.07629	4.0
94.07368	2.5
95.04984	16.6
95.08052	3.7
95.08614	48.7
96.05323	3.1
97.02897	15.8
97.06535	8.0
97.10156	6.0
99.04451	5.4
103.03938	3.0
105.04534	2.9
105.07040	31.8
107.04956	8.8
107.08599	33.0
109.02870	8.4
109.06515	5.8
109.10176	21.8
111.04436	9.0
111.08083	5.7
117.07018	12.3
119.08590	24.7
121.06503	4.2
121.10152	25.5
123.04457	6.0
123.08116	3.9
123.11691	10.6
127.03928	8.1
129.04619	1.9
129.05472	9.9
129.06989	10.3
131.04919	3.3
131.08582	20.8
133.06497	5.6
133.10141	21.2
135.08069	4.1
135.11722	17.1
137.09601	4.1
141.06989	3.7
143.08551	9.3
145.06508	3.9
145.10133	12.2
147.04420	2.2
147.08002	2.3
147.11711	19.3
149.09624	4.7
149.13275	13.4
154.03667	1.9
155.08568	4.5
157.10130	8.5
159.08003	4.0
159.11710	18.1
161.05962	4.7
161.09641	3.5
161.13217	6.9
163.11177	4.2
163.14874	2.3
165.12808	5.4
169.10101	3.0
171.11687	6.6
173.09657	4.2
173.13252	5.3
175.14865	3.0
177.12703	5.8
181.10170	2.6
185.13277	2.6
193.12212	4.1
195.11797	2.4
195.13820	7.2
197.13319	2.4
261.22229	3.7
267.15933	7.0
269.17487	19.3
277.21646	2.8
299.20505	2.3
301.21722	3.5
335.25821	15.9
336.26382	2.5
337.16626	3.2
337.27094	6.1
339.18185	2.4
351.23160	3.0
369.24332	5.6
387.25333	4.1
405.26089	3.5
413.21896	4.7
437.33643	2.9
479.29675	3.5
503.36954	3.4
519.28979	3.5
529.38873	24.3
547.39996	2.8
637.40228	4.3
655.41602	2.7
673.42755	9.9
691.40961	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	690.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
53.03947	3.1
55.01875	5.7
55.05266	1.0
55.05514	15.3
57.03189	0.9
57.03443	11.3
57.07071	0.8
59.04992	2.4
61.02922	4.3
65.03928	1.5
67.05507	19.8
69.03430	4.2
69.07065	5.0
71.01350	1.1
71.05000	4.4
71.55138	0.5
73.02921	1.5
79.05499	23.2
81.03423	39.8
81.07063	24.4
83.01347	4.9
83.04989	15.3
83.08625	21.8
85.02910	19.4
85.06539	1.5
91.03957	2.4
91.05484	23.8
93.07050	23.3
93.07531	0.3
95.04977	17.4
95.05563	1.1
95.08619	9.0
95.76421	0.5
97.02891	5.8
97.06541	3.8
97.10177	3.7
99.04457	2.9
99.08116	0.7
103.05489	1.3
105.04552	0.9
105.07043	18.6
107.04970	8.6
107.08600	11.8
109.02866	1.3
109.06537	7.2
109.10155	4.5
111.04476	3.0
111.08092	6.7
113.05983	1.6
115.05480	0.7
117.07027	5.8
119.08594	16.4
119.27795	0.6
119.98389	0.6
121.06545	3.7
121.10154	10.0
123.08065	6.2
123.11742	0.7
125.06023	1.7
125.09614	1.4
127.03940	1.0
127.07585	1.1
128.06268	0.7
129.07010	7.8
130.07851	1.0
131.08586	8.9
133.06512	1.9
133.10141	7.9
134.29530	0.6
135.08084	1.9
135.11691	7.1
137.09633	1.6
142.07779	1.4
143.08623	1.1
145.06500	0.6
145.10135	11.0
145.11273	0.7
147.08066	3.4
147.11684	9.1
149.09630	3.6
153.12741	1.4
155.08548	0.7
157.10135	9.1
163.11200	15.9
165.12787	2.1
171.11731	0.7
173.09607	3.0
175.11185	8.0
175.12587	0.9
181.12222	2.8
191.10710	2.4
193.10445	0.9
193.10748	0.5
193.12250	25.1
209.11758	4.2
211.13312	41.9
212.13708	0.7
227.12846	4.6
229.14359	0.6
237.03102	0.6
249.14923	0.8
262.02768	0.5
265.14389	0.8
267.15900	10.3
283.15408	58.0
285.16977	34.7
355.22763	0.6
383.22220	2.7
401.23291	1.5
457.25894	4.2
475.26974	15.8
493.28006	100.0
494.28629	3.5
494.34894	0.9
586.29077	4.2
690.33417	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01867	4.2
55.05301	1.3
55.05517	13.5
55.55058	0.9
57.03442	10.6
57.07060	1.1
59.04995	1.3
61.02930	2.2
65.03933	1.2
67.05172	2.2
67.05510	23.9
69.03433	4.2
69.07080	7.3
71.04997	4.2
71.05390	1.0
71.55640	1.2
73.02906	1.4
79.05497	33.5
81.03421	41.2
81.07063	29.0
83.04984	10.5
83.08624	18.9
85.02909	16.6
91.04910	1.1
91.05482	23.9
93.07050	39.3
95.04978	17.6
95.08611	35.6
97.02899	7.1
97.06561	5.3
97.10172	3.8
99.04469	2.8
105.07037	17.2
107.04955	11.0
107.08601	23.5
109.06551	5.4
109.10167	4.8
111.04454	1.5
111.08096	5.8
113.05990	2.7
117.07021	8.9
119.08595	20.2
121.06505	5.6
121.10151	15.5
123.08083	2.5
125.06026	3.1
127.07536	1.3
129.05595	1.0
129.07011	6.1
131.08601	6.8
133.06509	1.3
133.10129	9.3
135.08090	2.4
135.11703	39.7
139.07530	1.6
142.07721	1.2
145.09055	1.8
145.10138	26.4
147.08043	1.5
147.11696	10.1
149.09648	3.6
157.10152	8.0
163.11189	48.6
165.12802	1.5
173.09645	1.5
175.11179	7.7
181.12265	8.0
193.12254	27.4
199.94435	1.0
203.73441	1.2
209.11687	1.7
211.13297	33.2
227.12801	61.9
228.13153	1.8
249.14789	1.9
267.09222	1.5
267.15921	31.1
283.15411	64.3
284.15781	1.9
285.16989	56.7
475.26935	29.7
493.27991	100.0
494.28354	2.4
690.31262	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	691.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	21.2
60.95231	0.3
69.69111	1.9
70.06587	0.4
71.95250	0.3
73.56079	0.3
76.36719	0.3
84.96037	3.2
95.67828	0.3
97.21401	0.3
98.20731	0.4
98.97589	19.6
102.97025	0.4
105.23462	0.3
105.28356	0.3
110.97570	7.7
110.98336	0.5
112.99137	1.6
116.98627	7.3
123.04417	0.5
124.99100	0.5
127.03891	0.6
128.97676	0.6
128.98610	8.0
131.00180	0.9
134.99660	1.6
135.04431	0.4
139.03894	1.0
140.98589	0.7
143.00159	3.7
144.98097	0.7
146.99672	2.6
147.04411	0.9
149.01219	0.6
152.98593	0.6
158.99652	2.5
159.01183	0.6
161.01233	5.3
162.99118	0.5
170.99658	3.2
174.99254	0.4
177.00699	1.8
177.02129	0.8
179.02274	0.9
181.01772	0.5
182.99713	0.5
189.00700	2.3
191.00215	1.6
195.01808	0.6
195.03333	3.6
201.00616	1.7
201.02303	0.4
203.00215	1.4
207.01649	0.4
209.01266	1.4
213.04337	3.9
219.01756	10.9
221.01173	8.4
221.02972	1.0
237.02818	13.9
239.02272	25.2
240.02655	0.5
243.03160	0.4
245.01205	0.5
247.04517	0.6
249.00639	0.6
255.03691	1.0
257.03317	7.8
261.04321	0.7
262.03833	0.4
263.02228	2.1
265.05646	0.8
275.02231	0.8
281.03342	1.6
299.02344	1.1
305.03336	1.2
307.04868	0.9
317.03342	1.7
323.04379	0.3
325.06049	0.4
335.04297	0.4
347.05490	0.5
349.07639	1.8
365.05447	100.0
366.05676	1.9
367.08829	1.3
383.06436	6.1
406.08243	1.9
529.11609	0.5
691.14966	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02571	1.5
51.23347	2.0
53.03953	15.0
55.01865	6.4
55.05517	32.5
57.03438	14.2
57.07070	1.8
61.02932	2.2
64.76629	1.9
65.03946	4.5
67.05508	70.8
69.03433	38.4
69.07073	23.2
71.01335	2.1
71.05003	11.5
73.02918	2.8
77.03941	2.9
79.05499	64.9
81.03426	100.0
81.07059	80.9
83.04984	20.3
83.08616	20.4
85.02916	15.4
85.06542	4.6
91.05487	62.3
93.07050	61.6
95.04980	23.5
95.08615	43.8
95.32887	1.9
97.02902	23.8
97.06526	10.8
97.10180	5.6
99.04470	7.6
99.08056	2.0
101.02373	1.9
103.05448	3.0
105.04563	2.0
105.07043	45.2
107.04954	8.6
107.08595	33.6
109.02885	18.3
109.06525	8.1
109.10166	13.0
111.04438	11.4
111.08082	9.3
115.05511	2.5
117.07037	16.5
119.08588	32.3
119.95023	1.8
121.06498	4.0
121.10144	24.9
123.04403	2.6
123.08092	5.6
123.11712	6.0
125.09667	4.6
127.03925	11.7
128.06281	3.4
129.05484	4.4
129.07021	18.2
131.08586	30.1
133.06516	4.0
133.10139	22.5
135.08099	4.1
135.11707	12.4
141.07002	5.7
142.07852	3.3
143.08533	11.0
145.06540	4.7
145.10118	17.8
147.11707	25.9
149.09648	4.2
149.13271	9.8
151.07581	2.1
153.12758	2.1
155.08582	5.8
157.08911	3.0
157.10143	21.6
159.08083	2.8
159.11697	12.1
161.09813	1.9
161.13176	3.5
163.11229	6.8
163.14978	2.2
165.12784	5.8
167.08597	2.3
169.10191	5.1
171.08107	2.8
171.11761	6.2
173.04414	3.9
173.09666	3.8
173.13277	7.7
175.11182	11.3
175.14822	3.6
177.12787	2.0
181.10133	3.2
181.12262	2.7
183.11697	4.9
185.09569	2.6
185.13307	7.1
187.14853	4.1
189.12744	1.9
191.10733	2.7
193.12277	32.9
195.11845	3.0
195.13760	2.0
197.13321	3.8
199.14882	3.2
201.16461	2.3
209.13318	3.9
211.13281	45.2
211.15201	2.2
213.12752	1.9
227.12746	4.4
229.14365	3.2
229.77972	2.2
231.17505	2.0
241.51822	2.2
259.20624	3.0
261.22211	6.2
267.16031	7.8
285.10287	1.8
285.17108	7.1
335.25870	13.6
337.16629	2.6
355.17548	9.7
369.24295	6.5
387.25217	2.2
405.26648	3.0
410.38907	1.8
411.20306	4.7
443.27905	2.0
453.33441	2.3
461.29333	3.2
470.59424	2.1
509.36115	2.5
527.37555	20.7
545.38525	8.2
635.40479	2.5
653.39868	5.0
671.41437	10.1
689.42639	62.6
710.88184	2.0
715.65601	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	3.1
53.03940	10.8
55.01883	11.5
55.05517	31.9
56.49129	1.9
57.03441	15.6
57.07077	3.3
65.03936	8.1
67.05508	100.0
69.03437	14.3
69.07067	22.7
71.01357	6.3
71.03865	4.2
71.04990	5.6
73.02908	5.0
79.05495	83.2
81.03423	55.0
81.07059	76.2
83.04975	8.9
83.08627	19.7
85.02911	20.1
87.04430	2.9
87.14539	2.1
89.06030	5.8
91.05485	67.5
93.06477	5.3
93.07046	81.3
95.01347	6.8
95.04362	4.5
95.04975	82.6
95.08609	58.0
97.02882	9.6
97.06528	7.4
97.10178	12.2
99.04461	3.5
103.03955	12.1
103.05472	5.8
105.04491	3.7
105.07040	41.5
107.04971	23.6
107.08595	33.6
109.02881	12.6
109.06524	13.6
109.10172	25.2
109.27840	2.3
111.04424	6.5
111.08068	8.5
115.05453	5.7
117.07021	22.4
119.04937	5.8
119.08595	33.4
121.06525	14.2
121.10151	34.0
123.04433	50.6
123.08069	7.2
123.11736	5.3
125.09649	5.7
127.03933	2.6
128.06180	3.1
129.06996	22.5
131.04924	8.4
131.08588	32.3
133.06482	8.4
133.10146	17.2
135.04416	5.0
135.08061	11.0
135.11688	21.7
137.05949	7.0
137.09578	3.3
141.07018	4.7
142.07780	3.0
143.08595	12.7
145.06477	8.4
145.10127	32.7
147.04419	15.1
147.08043	8.9
147.11693	15.3
149.06015	7.6
149.09598	8.3
149.13280	4.4
153.07021	3.2
153.09132	3.3
155.08546	6.3
157.06476	6.7
157.10127	8.6
159.08075	4.8
159.11731	14.6
161.05971	7.8
161.09575	6.2
161.13266	7.3
162.66025	2.3
163.07600	3.6
163.11172	15.1
163.14861	5.5
167.08691	2.3
168.04555	2.5
169.10139	7.5
171.04465	2.4
171.11693	9.9
173.06035	3.9
173.09624	7.6
173.13266	9.6
175.11150	5.7
175.14818	3.8
177.12613	3.9
179.08698	2.8
181.10072	3.7
183.11671	2.7
185.09650	2.7
185.13240	5.9
187.11150	2.8
187.14859	3.8
189.05453	8.2
189.11258	4.0
189.12776	9.0
191.10652	5.4
193.12239	8.5
195.11760	3.0
199.11028	2.8
203.14304	2.8
205.12187	6.4
207.13818	11.3
211.13252	3.3
213.12770	3.6
217.12292	8.0
223.13252	4.9
231.13777	4.5
235.13310	52.9
245.15358	3.5
247.13220	4.4
249.14926	4.3
255.13756	3.3
259.13309	15.9
261.22232	12.0
267.15985	5.2
273.14890	29.2
277.14429	9.2
283.13287	3.6
289.14352	4.8
291.15860	6.2
301.14331	36.5
302.14511	2.6
309.16980	9.5
317.24817	3.3
319.15323	9.2
333.16949	4.5
335.25818	44.6
337.16284	5.3
351.18143	4.1
357.16586	2.8
375.17963	12.2
393.19156	6.4
411.19934	4.7
436.49866	2.6
437.28937	6.6
527.37091	3.1
569.38458	12.5
611.39178	6.2
635.39557	13.0
653.40411	7.8
664.89874	3.0
671.41400	7.4
689.42822	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	689.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.0
53.03953	16.2
55.01876	8.0
55.05519	24.7
57.03444	14.5
65.03950	5.2
67.05508	73.2
69.03434	36.4
69.03804	2.0
69.07074	19.6
71.03992	3.3
71.04344	2.0
71.04991	8.9
72.08189	2.2
73.02928	2.6
77.03946	2.2
79.05499	70.8
80.27451	1.9
81.03426	100.0
81.07065	73.7
83.04991	22.2
83.08625	21.1
83.64193	1.7
85.02913	18.7
85.06543	5.4
91.05489	72.5
93.07048	69.0
93.07633	3.9
93.73045	1.7
95.04977	30.5
95.08618	42.9
97.02913	18.2
97.06549	11.2
97.10177	7.3
99.04465	7.2
99.08121	1.8
105.04508	2.4
105.07037	53.9
107.04973	7.9
107.08599	32.0
109.02893	21.2
109.06527	7.0
109.10174	18.3
111.04466	11.1
111.08080	10.9
115.05482	5.1
117.07015	19.2
119.08594	39.4
121.06531	5.3
121.10168	28.7
123.04443	2.7
123.08058	5.0
123.11738	7.9
125.09627	3.8
127.03915	11.9
128.06264	5.2
129.05481	2.5
129.07036	18.9
129.22981	1.7
131.04910	2.3
131.08562	29.7
133.06523	4.1
133.10143	20.3
135.08063	4.2
135.11696	15.3
137.09669	3.2
141.07027	3.6
142.07829	5.0
143.08556	11.2
145.06496	3.4
145.10152	15.2
147.08052	5.7
147.11696	25.5
149.09650	6.9
149.13281	5.9
151.07570	2.1
153.12781	3.1
155.08597	5.5
157.10129	17.0
159.08086	4.2
159.11726	11.4
161.09573	1.9
161.13298	5.9
163.11232	7.2
165.06964	2.0
165.12801	5.2
167.08585	2.8
169.10118	4.0
171.08081	4.0
171.11711	8.7
173.04539	6.2
173.09721	2.4
173.13287	6.4
175.11183	15.9
175.14882	2.9
177.09140	1.8
177.12801	2.5
181.10181	4.4
181.12233	4.0
183.07935	1.9
183.11749	5.2
185.13359	4.9
187.11273	3.1
187.14830	3.1
191.10809	3.7
193.12247	42.2
195.11781	5.4
197.13287	4.0
199.11226	3.1
199.14890	3.4
209.13382	3.1
211.13289	58.3
211.15225	3.0
223.26245	1.8
225.12762	2.5
227.12811	5.1
229.14552	3.1
237.42941	1.9
261.22266	6.5
267.15860	10.5
273.22122	1.8
285.16980	9.0
293.83844	2.0
301.21548	4.4
327.23077	2.4
335.25876	16.6
351.23273	4.1
355.17651	5.7
369.24390	6.2
387.25391	4.8
394.26736	1.8
398.74634	1.9
411.20242	4.4
435.32870	2.5
443.27914	2.8
461.29019	4.2
471.34906	2.5
527.37335	19.4
545.38422	11.8
635.40558	2.9
653.40448	6.5
671.41608	8.0
689.42584	64.6
690.43030	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	689.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	13.7
55.01873	14.2
55.05517	38.8
57.03445	19.5
57.07096	4.0
65.03939	16.1
67.05510	95.6
68.27522	3.5
69.03439	28.0
69.07062	28.0
70.19724	14.8
71.04985	8.2
73.02916	4.5
77.03902	3.3
79.05497	89.1
81.03426	73.0
81.06584	5.4
81.07060	100.0
83.04992	17.4
83.08633	20.7
85.02908	21.2
87.04470	6.2
87.41776	3.4
89.06025	5.9
91.05486	84.6
93.07050	80.1
95.01311	6.6
95.04976	78.3
95.08614	64.8
97.02901	16.3
97.06524	10.0
97.10157	13.3
99.04458	5.3
103.03970	12.1
103.05442	6.9
105.04461	5.7
105.07039	50.3
107.04961	27.7
107.08611	45.4
109.02891	14.6
109.06523	15.4
109.10157	24.1
111.04446	7.7
111.08079	6.2
114.52405	3.5
115.05460	6.4
117.07023	23.9
119.04948	4.1
119.08588	42.1
121.02852	3.7
121.06530	17.6
121.10143	30.7
123.04418	39.9
123.08054	5.7
123.11706	5.4
125.09633	6.0
127.03937	8.9
129.07028	21.0
131.04924	11.1
131.08588	35.3
133.06563	10.3
133.10170	27.8
135.08026	8.1
135.11653	21.3
137.05951	5.2
137.31013	3.4
141.07004	6.1
143.08586	15.2
145.06503	6.2
145.10110	28.1
147.04399	14.0
147.08044	10.7
147.11679	17.8
149.06015	6.1
149.09598	5.2
149.13293	9.8
153.09065	5.3
155.08594	8.7
157.06418	4.7
157.10147	11.8
159.08060	6.4
159.11697	13.3
161.06050	6.8
161.09666	5.2
161.13272	7.4
163.11169	20.8
165.09125	3.5
165.12700	3.6
167.08507	3.3
169.10175	4.7
171.11720	14.8
173.04514	4.7
173.06017	5.3
173.09674	7.7
173.13272	10.3
175.07562	3.4
175.11211	11.6
175.43857	3.3
177.12691	3.8
183.11800	5.4
185.13313	4.6
187.11182	6.5
189.05467	7.2
189.12747	7.9
191.10640	5.5
193.12274	20.8
195.11801	5.6
199.11218	5.1
205.12289	5.7
207.13806	4.5
211.13271	17.3
217.12308	8.6
235.13264	39.8
238.49159	3.8
247.13315	4.7
249.14914	7.3
255.13777	4.7
259.13330	10.2
261.22263	16.4
265.12030	3.9
267.15912	9.9
273.14844	24.1
277.14313	6.6
283.13312	7.4
285.17087	3.7
289.14212	4.1
301.14346	33.3
303.45972	3.9
309.16702	6.7
309.64377	3.6
319.15231	6.5
335.25769	42.7
337.16254	5.2
351.86014	3.5
375.18073	7.8
393.19116	9.6
411.19962	8.0
527.37238	8.7
569.38019	11.1
597.36908	6.1
635.39362	9.5
644.78333	3.7
653.40686	9.7
671.41553	7.5
689.42444	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	688.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	11.7
57.03443	11.4
57.07059	2.7
59.04987	2.7
61.02917	3.3
64.82516	0.9
65.03918	1.8
67.05509	71.0
69.03427	1.7
69.07069	12.6
71.04983	4.3
79.05490	4.3
79.16203	1.0
81.06590	1.8
81.07062	30.7
83.08633	9.9
85.02890	3.1
85.06541	2.5
89.06033	1.6
91.03949	1.7
91.05483	8.5
93.07069	8.4
93.24184	0.9
95.08608	23.5
97.02933	1.3
97.06530	2.0
97.10157	3.3
98.21540	1.6
99.04360	1.1
105.07066	4.7
107.08591	5.7
109.10163	63.2
111.08079	3.7
119.08582	5.4
121.10148	5.4
123.11692	4.4
133.10135	4.0
135.11674	2.5
137.09619	3.4
137.13287	1.2
147.11620	1.6
151.14891	1.2
155.10648	5.2
161.13290	1.5
163.14844	1.3
167.16214	0.9
173.11766	19.1
175.14687	1.0
227.12810	2.4
229.14372	100.0
245.22687	1.9
263.23746	3.6
273.43539	1.1
337.27393	67.1
338.27466	1.8
399.32642	1.0
491.37360	49.0
492.37387	1.9
688.47614	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	689.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06607	0.4
50.45603	0.4
52.78152	0.4
53.03944	1.2
53.86592	0.4
55.01885	1.0
55.05500	2.0
57.03426	1.4
57.22552	0.4
59.04988	0.4
61.02931	3.6
63.22940	0.4
65.03920	0.6
67.05510	5.8
69.03432	2.7
69.07060	1.1
70.83566	0.4
71.04996	0.7
71.55515	0.7
73.02928	2.4
79.05495	7.3
81.03416	3.3
81.07066	5.7
83.04985	1.5
83.08611	0.8
85.02922	2.8
87.04526	0.4
91.03966	1.4
91.05489	5.9
93.07047	5.6
95.04972	1.9
95.08635	3.2
96.54667	0.5
97.02876	2.7
97.06503	0.7
97.10165	0.5
98.74523	0.4
99.04466	1.0
101.02374	1.6
105.07037	4.8
107.04977	1.0
107.08603	1.6
109.02885	0.6
109.06533	0.9
109.10172	0.9
117.07065	1.2
119.08601	2.6
121.04918	0.5
121.06493	0.5
121.10152	1.1
123.08052	1.1
127.03915	1.2
129.07019	2.0
131.08601	0.7
133.10165	1.7
135.11711	0.6
143.08615	1.3
145.10153	1.2
147.11710	3.0
157.10187	0.7
159.11697	0.6
161.09644	0.6
161.13269	1.1
171.11722	2.1
188.57079	0.5
207.14000	0.5
243.08476	2.0
247.13109	1.6
303.15585	0.6
351.08093	0.5
351.12311	0.4
465.20972	15.0
689.35052	100.0
690.35571	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	688.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
55.01863	6.3
55.05523	25.0
57.03437	17.9
67.05507	54.6
69.07062	16.7
71.05005	5.7
71.55484	5.7
75.48312	3.9
79.05499	70.4
81.03427	68.0
81.07068	55.9
83.05003	27.1
83.08640	24.5
85.02917	28.3
91.05495	74.3
93.07051	72.1
95.04961	36.6
95.08615	32.3
97.02883	5.6
97.06519	4.1
97.10197	5.2
105.07040	49.8
107.04964	12.1
107.08632	23.3
109.06515	9.9
109.10174	12.2
111.08070	5.8
117.07037	8.4
119.04966	4.9
119.08578	34.5
120.81067	4.2
121.10152	13.5
123.08065	5.1
128.06238	4.6
129.07014	23.6
131.08553	12.6
133.10129	19.1
143.08580	8.0
145.10103	7.5
147.08029	6.6
147.11702	34.8
149.09534	5.3
157.10188	11.5
161.13278	10.2
171.11678	23.4
171.77505	3.9
175.11189	9.6
189.12813	7.7
193.12267	37.1
207.13824	15.5
211.13307	33.8
267.15973	35.6
281.17505	100.0
285.16998	30.8
473.29025	84.5
491.30026	94.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05307	1.3
55.05513	14.6
57.03434	13.4
57.07065	4.3
59.05009	3.9
61.02914	3.1
61.30767	1.4
67.05508	100.0
69.03430	2.1
69.07068	14.4
71.04977	4.1
71.08603	1.6
72.61592	1.2
72.69637	1.3
73.02921	1.9
79.05496	14.7
81.03413	2.4
81.07065	48.3
82.28719	1.2
83.04978	3.0
83.08625	14.5
85.02898	5.5
85.06539	2.3
86.86531	1.3
89.06028	2.7
91.05485	10.8
93.07048	12.3
95.04971	1.9
95.08608	33.6
97.02853	1.8
97.06537	2.8
97.10161	3.7
105.07035	5.7
107.08586	7.8
109.10162	76.2
111.08076	3.4
119.08597	7.7
121.10126	7.0
123.11697	5.4
125.09618	2.1
131.08553	1.5
133.10097	3.9
135.07999	1.4
135.11685	4.4
137.09607	4.3
137.13223	2.6
147.11694	2.5
149.13184	1.9
155.10681	6.8
163.14839	2.1
173.11766	17.5
175.42534	1.6
179.50000	1.4
210.36888	1.5
214.19092	1.4
224.98773	1.4
229.14368	92.0
235.34537	1.4
245.22630	3.6
263.23730	5.8
281.47705	1.5
337.27374	78.3
338.27634	2.5
385.91745	1.4
398.46198	1.6
402.95547	1.5
491.37341	88.5
492.37451	2.9
688.47687	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01867	0.8
55.05505	0.6
62.95610	0.3
65.03927	0.9
66.04694	0.4
67.05499	0.6
69.03421	0.8
69.07088	1.9
70.06567	0.3
71.55818	0.5
78.04697	0.5
79.05490	1.4
81.03431	5.7
81.07063	2.6
83.04961	0.4
85.02896	1.0
91.05492	4.1
91.41010	0.3
93.03408	1.5
93.07056	1.7
94.04193	1.4
95.04978	1.3
95.08616	1.3
97.06587	0.6
98.97604	0.4
103.05484	3.1
105.03392	0.4
105.07029	1.9
106.04198	3.9
107.04939	1.7
107.08612	1.0
109.06533	0.7
109.10177	0.6
111.04436	0.5
111.11792	0.3
115.05450	1.0
117.07037	0.6
118.04198	0.8
119.04965	1.2
121.06524	3.9
122.03648	3.0
123.04424	0.9
123.11744	0.4
125.05974	1.0
129.07036	1.4
131.00182	0.3
131.04951	4.2
132.05724	1.0
133.06505	0.8
134.03654	0.5
135.04468	0.8
136.05115	0.4
137.05991	100.0
137.13245	0.6
138.06308	0.7
139.07590	0.4
143.04956	0.9
144.05739	0.4
145.02888	0.3
145.06500	1.0
147.04417	1.7
148.05190	1.4
149.06010	6.9
149.13292	0.4
151.03925	3.8
151.05002	0.7
151.07556	0.8
153.05394	0.8
153.09145	1.0
153.12778	0.7
157.06505	2.1
160.05208	1.6
161.05991	1.8
161.09668	0.5
163.03867	0.7
163.07544	2.8
165.05513	1.0
167.07051	10.6
173.05951	0.8
174.06805	0.5
175.07556	12.1
177.05476	4.3
177.06892	0.4
177.09023	0.7
179.07039	1.6
180.07846	1.3
181.05013	2.0
181.08632	3.1
182.09438	0.3
185.06085	0.5
187.07526	3.2
189.09111	2.6
191.07045	8.7
192.07852	2.5
199.07533	1.9
202.05992	0.3
205.08620	13.3
207.06477	0.4
209.08121	10.9
211.07555	0.7
217.08626	3.8
223.04297	3.3
229.08728	0.4
235.09680	4.1
263.09094	0.6
279.10089	0.4
291.26553	0.5
299.12814	0.7
309.27710	0.5
310.28406	0.7
322.99823	0.4
325.10944	0.5
327.12442	0.8
328.29404	0.4
339.12433	0.6
353.13910	0.7
357.13510	0.7
365.14072	0.7
385.12851	0.5
415.19391	0.4
483.47961	0.3
501.19284	0.5
517.18774	1.4
519.20020	0.6
537.21503	0.8
549.21509	1.8
575.68347	0.4
656.24500	0.5
687.47784	0.8
688.48499	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01876	1.1
61.02930	0.5
65.03944	2.3
67.05537	2.0
68.99802	0.5
69.03443	0.6
71.55554	0.7
73.96103	0.4
75.04488	0.5
77.03915	0.5
79.05511	2.3
81.03436	2.6
81.07069	1.0
83.01303	0.6
84.85789	0.4
85.02914	2.6
86.55565	0.4
91.05498	6.0
93.03463	0.4
94.04194	1.5
95.04970	3.2
97.06569	0.7
99.04439	0.4
102.04710	0.6
103.05479	19.1
105.03388	1.3
105.04542	0.5
105.07056	3.1
107.04963	3.2
108.02084	1.2
109.02847	0.6
109.06516	1.5
110.03716	0.4
111.04447	0.9
115.05475	3.3
116.06233	0.5
117.07034	3.8
118.04170	3.7
119.04968	7.4
119.05802	0.7
119.08533	0.5
120.72862	0.4
121.06506	1.5
122.03645	4.0
123.04427	1.5
125.06031	2.0
128.06262	0.8
129.07018	1.5
130.04164	1.2
131.04939	32.8
132.05724	0.8
133.02893	2.4
133.06490	3.9
134.03662	0.7
135.04431	0.4
135.08054	2.2
137.05991	64.6
138.06343	0.8
141.05440	1.1
143.04951	1.6
144.05740	0.5
145.06496	3.8
146.03644	1.3
147.04414	8.4
147.08069	1.4
148.05217	9.3
149.00583	1.4
149.06032	2.1
151.03922	83.1
151.04988	4.6
151.07463	2.5
152.04247	1.0
153.05476	2.1
157.06514	1.4
159.04466	0.8
160.05217	1.1
161.00586	0.9
161.05965	3.2
162.05476	0.5
162.06731	1.0
163.07558	21.0
165.05484	2.7
165.09189	0.6
167.07051	9.2
171.04411	1.0
171.06577	0.6
173.05994	3.6
174.06770	0.8
175.07568	6.0
176.04709	2.7
177.05472	2.5
177.07829	0.5
177.09166	1.1
178.00862	2.3
179.07098	5.0
179.08571	0.9
181.04980	16.5
185.05899	0.4
187.07553	2.4
189.05579	1.0
189.09103	1.5
190.06287	0.5
191.07047	100.0
192.07477	1.2
192.10225	0.5
193.03226	14.7
193.04904	1.0
193.08612	1.6
195.06560	1.3
201.05496	0.8
201.09138	0.5
202.06163	0.6
203.07007	4.0
204.07790	0.6
205.06705	0.9
205.08632	3.0
207.06380	0.5
207.10187	1.2
208.34422	0.4
209.08118	5.4
211.07603	0.7
217.08609	1.0
219.10181	1.8
221.08038	0.8
222.06900	0.5
223.07458	0.5
223.09613	1.3
225.09093	0.6
231.06523	1.2
233.05995	0.8
233.08113	3.2
234.06750	0.6
235.07495	1.1
235.09645	3.6
237.09088	1.5
239.10652	0.8
245.08150	1.0
247.07484	0.5
249.09212	1.3
251.07013	0.7
259.09744	0.9
259.63077	0.4
263.09183	18.0
265.08652	1.6
266.09406	0.7
267.10147	1.6
277.08615	1.3
279.10178	0.5
282.07968	1.7
293.08029	1.0
295.09625	1.6
297.11243	0.6
299.12695	0.5
300.08984	0.7
301.10696	0.4
307.09592	0.9
309.11151	1.4
323.09012	0.5
325.10654	1.5
327.12396	3.3
329.13763	1.9
337.10645	1.6
339.12485	1.0
341.13785	1.5
351.12341	1.2
355.11780	9.6
357.13348	1.9
359.14819	2.3
369.13345	4.3
387.14429	35.1
388.14926	0.5
517.18506	3.1
539.80646	0.5
549.21381	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.6
53.03944	0.6
55.01880	1.5
55.05502	0.5
56.34488	0.4
56.96561	0.3
60.25529	0.3
61.02916	0.4
63.47253	0.4
65.03949	2.2
66.15845	0.3
67.05509	2.1
69.03436	1.0
70.06606	0.6
71.55265	0.5
73.09314	0.4
75.04496	0.4
79.05498	2.7
81.03412	2.5
81.07067	1.6
84.08176	0.4
85.02905	3.0
88.04038	0.5
88.29543	0.4
91.05492	6.2
93.03458	0.8
93.07050	0.9
93.78298	0.3
94.04199	1.1
95.04983	3.7
95.08624	0.5
96.09550	0.4
97.02917	0.4
97.06558	0.7
102.04709	0.7
103.05474	19.7
105.03394	1.4
105.04453	0.4
105.07036	2.9
107.04954	3.2
107.08604	1.0
108.02112	1.4
109.02860	0.5
109.06530	1.5
109.10178	0.4
110.03700	0.5
111.04433	0.9
114.13013	0.4
115.05466	3.5
116.06190	0.3
117.07038	3.9
118.04172	3.2
119.04960	7.7
119.08582	1.0
120.05716	0.6
121.02888	0.4
121.06481	1.8
122.03655	4.1
123.04450	2.6
124.05188	0.6
124.07573	0.4
125.05993	1.6
127.03963	0.5
128.06265	0.6
129.07021	1.7
130.04138	1.0
131.04935	31.3
131.08577	0.5
132.05731	0.7
133.01067	0.6
133.02846	2.5
133.06491	3.8
134.03679	0.5
135.04428	0.6
135.08067	1.7
137.05983	61.8
138.06354	1.0
138.09151	1.0
139.07527	0.4
141.05463	0.9
141.07021	0.4
142.02583	0.4
143.04955	1.2
144.05730	0.8
145.06509	4.2
146.03654	0.9
147.04424	8.4
147.08069	0.8
148.05200	10.4
149.00604	1.4
149.05994	1.8
151.03911	78.7
151.04967	4.3
151.07454	1.9
152.04317	0.9
153.05484	2.6
155.04958	0.5
155.07076	0.5
157.06514	1.1
159.04411	0.8
159.08067	1.2
160.05240	1.1
161.00552	1.2
161.06003	3.6
162.06776	1.2
163.03825	0.5
163.07550	19.4
165.05484	3.2
165.09135	0.6
167.07042	8.2
169.06433	0.4
171.04385	0.8
173.05988	3.2
174.06761	0.9
175.07567	4.7
175.14922	0.5
176.04707	2.0
177.05508	2.2
177.07826	0.4
177.09131	1.2
178.00822	2.1
179.07060	4.7
181.04959	17.7
187.07591	2.4
189.05434	1.2
189.07068	0.5
189.09100	1.8
190.06171	0.9
191.07036	100.0
192.07512	1.2
193.03209	17.1
193.04881	1.0
193.08656	2.1
195.06544	0.8
201.05490	0.9
201.08981	0.4
203.07050	4.0
205.06555	1.0
205.08601	3.2
207.06497	0.4
207.08244	0.8
207.10135	1.7
209.08076	4.6
215.07101	0.8
217.08640	0.6
219.06450	0.6
219.08330	0.5
219.10179	1.6
221.08014	0.9
222.06703	0.7
223.07558	0.6
223.09657	1.2
231.06541	0.9
233.06033	0.8
233.08075	4.0
234.06821	0.8
235.07462	1.0
235.09657	3.5
237.09276	2.1
245.08142	1.4
249.09093	1.3
251.07059	0.5
253.08488	0.4
259.09726	0.5
263.09161	16.0
265.08603	1.6
266.09299	0.4
267.10211	1.6
267.16037	0.7
270.08096	0.5
275.07178	0.5
277.08588	1.5
279.06393	0.7
279.10269	0.4
281.11707	0.6
282.08118	1.6
293.08041	0.8
295.09586	1.5
297.11176	0.8
299.12747	1.1
300.08917	0.8
305.08249	0.5
307.09668	1.0
309.11169	1.5
314.11307	0.4
323.09027	0.6
325.10776	1.5
327.12299	3.8
329.13864	1.8
337.10596	1.3
339.12503	0.4
341.13760	1.3
349.13504	0.4
351.12207	1.2
355.11789	9.1
357.13260	1.4
359.14871	1.7
369.13361	3.4
387.14407	34.6
388.14825	0.8
404.25949	0.4
508.32516	0.7
517.18634	2.1
549.20966	0.7
568.20416	0.4
688.37866	1.1
689.30237	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.05518	12.2
57.03441	11.0
57.07089	1.1
59.04732	0.7
59.05011	4.2
61.02946	4.1
65.03938	3.0
67.05512	100.0
68.05823	0.8
68.70173	0.6
69.03423	1.1
69.07075	7.2
70.11588	1.9
71.04988	3.3
73.02916	0.7
78.70520	0.8
79.05061	1.4
79.05500	21.5
79.05967	1.0
81.07066	38.2
83.04977	1.3
83.08629	6.7
85.02912	4.3
85.06532	3.6
91.03961	1.9
91.05491	14.5
93.07055	28.4
95.04980	2.4
95.08617	25.9
97.02898	1.7
97.10198	1.6
98.41544	0.9
105.07044	6.7
107.08608	15.3
109.06503	1.4
109.10166	73.7
110.10516	1.2
111.08088	3.9
117.07017	2.9
119.08592	11.9
121.10159	11.4
123.11713	3.2
125.09638	1.4
127.03881	0.7
131.08586	5.1
132.86839	0.8
133.10135	4.6
135.11699	8.5
137.09650	3.6
137.13235	1.4
145.10146	4.6
147.11697	3.6
149.13252	4.9
155.10706	7.6
157.10309	0.8
159.11726	3.7
161.13304	2.7
163.14857	2.5
173.11758	11.8
173.13274	3.5
175.14769	1.1
176.06128	0.8
177.16360	1.1
187.14816	1.7
189.11253	0.8
227.12810	3.1
229.14374	78.6
230.14722	1.4
243.21109	5.2
261.22153	17.6
279.22784	0.9
283.15826	0.8
307.08420	1.0
317.24826	4.3
335.25833	69.5
336.26349	1.4
415.32123	0.9
489.35788	54.3
490.35693	1.9
507.36682	2.9
512.15778	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.1
55.05510	9.3
57.03230	1.2
57.03443	13.5
57.07057	1.4
59.04990	2.9
61.02920	3.9
61.32123	1.0
65.03951	3.0
65.52868	1.2
67.05508	100.0
69.03427	1.6
69.07061	6.6
71.04037	2.6
71.04995	3.8
76.34486	1.3
78.52351	1.2
79.05498	19.6
81.03481	1.3
81.07063	38.2
83.08620	7.6
85.02924	3.1
85.06519	1.4
91.05486	13.3
93.07048	22.8
93.67384	1.3
95.04979	1.5
95.07994	1.3
95.08613	25.8
97.02907	1.2
99.08065	1.5
99.14783	1.1
105.07064	8.3
107.08607	15.0
109.10165	76.5
111.08088	2.6
117.06959	1.9
119.08607	12.0
121.10153	11.7
123.11720	2.4
125.09513	1.2
127.03908	1.3
130.77853	1.1
131.08577	4.8
133.10210	6.5
135.11736	7.0
137.09612	3.5
137.13205	1.5
145.10075	3.9
147.11711	2.9
149.13252	4.0
153.51053	1.1
155.10669	9.8
159.11691	2.6
161.13278	2.9
162.85005	1.6
163.14850	2.0
173.11794	17.1
173.13266	4.0
187.14896	1.7
215.72781	1.1
227.12805	4.3
229.14369	100.0
230.14894	1.3
240.29715	1.3
243.21152	5.9
261.22159	17.0
317.24661	2.1
335.25824	73.7
336.26035	2.3
489.35748	39.6
490.35815	2.0
507.36905	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	685.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56905	0.6
55.05510	0.9
57.03437	0.7
57.07077	1.4
58.36569	0.6
64.65167	0.6
65.03955	0.6
67.05516	3.7
69.07072	1.6
70.98926	1.7
79.05502	2.6
81.03407	1.2
81.07067	3.5
83.04998	0.7
83.08625	0.8
90.58893	0.6
91.05480	2.3
93.07059	2.3
95.04951	0.9
95.08617	3.3
97.02904	0.6
105.07045	1.5
107.08566	1.4
109.10169	1.4
117.06997	0.9
119.08601	1.0
121.10109	0.9
122.88531	0.6
123.11627	0.7
131.08582	1.2
133.10164	0.7
135.11781	0.9
143.08759	0.5
145.10159	0.9
159.11653	0.7
199.70549	0.6
313.27557	1.1
317.21112	0.6
333.20459	2.6
335.22113	1.1
351.21494	2.2
389.22992	2.3
391.24448	1.3
407.24213	0.9
452.43451	0.7
470.49045	0.7
685.46484	100.0
686.46698	4.0
703.48199	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15922	3.1
50.78504	3.5
53.03948	7.2
55.01872	7.7
55.05297	3.4
55.05516	34.3
57.03434	7.1
57.07068	12.3
61.02911	6.0
61.31495	3.4
67.05509	46.9
69.03419	10.1
69.07077	47.6
70.06586	11.4
71.04999	5.7
71.08636	5.0
71.15775	6.9
79.05489	32.0
81.03416	14.7
81.07066	100.0
83.04961	8.7
83.08645	25.7
85.02918	21.1
85.06567	4.1
85.10162	4.9
91.03902	4.8
91.05485	22.2
93.07051	33.8
94.06570	6.2
95.04991	9.4
95.08620	85.4
97.02895	11.2
97.06494	5.0
97.10186	23.2
98.97604	6.3
105.07037	24.3
107.04899	4.8
107.08603	31.4
109.02895	4.4
109.06495	4.6
109.10172	51.1
111.08083	8.4
111.11713	9.4
117.07001	5.8
119.08624	18.8
121.10159	26.4
123.11711	21.0
125.09628	4.4
127.03924	6.8
133.10115	15.0
135.07997	4.1
135.11739	22.9
137.05948	9.9
137.13269	8.4
147.04420	4.1
147.08054	3.9
147.11684	13.4
149.13284	19.3
151.14862	5.5
161.13246	10.0
163.03853	3.6
163.11218	6.6
163.14812	10.8
165.16443	5.0
167.06982	5.3
175.14850	5.4
177.16354	5.1
217.19495	4.9
222.14787	5.3
227.12889	7.3
227.28679	4.7
267.09186	4.3
267.15948	5.6
273.25751	12.9
279.26904	7.2
287.79663	4.2
291.26791	29.0
297.27878	14.2
309.24283	4.3
309.27881	76.2
310.28076	4.1
314.19519	5.7
327.29141	4.9
345.29993	7.9
445.13696	3.9
488.30011	10.0
506.31238	23.2
524.31592	7.9
528.49548	3.4
530.18927	5.1
531.19263	7.6
550.79083	4.4
563.21704	6.0
633.73212	4.1
654.25757	4.3
669.38922	4.0
686.38934	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	683.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
60.44804	0.8
63.04167	0.7
67.05491	1.4
69.03435	0.8
69.07067	1.3
70.06603	0.8
70.50354	1.3
70.50684	1.2
71.74535	0.6
74.34908	0.6
79.05501	1.4
81.07031	0.8
85.02879	0.8
91.05505	3.9
93.07045	5.3
94.06549	2.9
95.04958	2.4
95.08617	1.1
98.21420	0.9
98.97561	1.0
106.06545	1.0
107.08566	1.0
108.08113	0.8
109.06497	1.1
110.06041	0.9
111.08105	4.6
117.07026	0.9
118.06576	0.8
119.07375	0.8
120.04453	0.8
121.06490	1.4
122.06042	5.4
124.07587	1.2
131.08594	0.7
132.08112	1.3
134.06056	0.8
134.09673	5.1
135.08044	2.3
136.07594	7.7
137.05960	0.9
140.07091	6.9
144.08066	0.8
145.06577	0.8
146.06017	1.1
147.06857	0.9
148.07585	2.6
150.09174	2.1
152.07112	0.7
152.10718	4.4
154.08640	6.5
160.07593	1.4
162.05537	1.0
162.09163	28.6
163.07552	1.7
164.07106	2.5
166.08623	7.6
170.09518	0.8
171.09238	4.3
172.03937	0.8
172.07439	0.7
173.10774	5.0
174.05446	1.5
174.09219	1.2
176.10760	0.8
180.08606	1.3
180.10211	24.8
188.07275	0.8
190.08684	4.7
197.10774	1.1
198.09203	1.7
199.08611	3.7
201.10233	3.9
202.08650	0.9
204.06647	2.1
208.09711	65.7
209.10065	0.7
212.09297	0.8
213.10226	6.4
214.08862	0.9
215.08188	4.1
215.11844	2.4
219.08868	0.7
220.09715	1.7
223.08754	0.8
225.10219	2.0
226.08626	1.2
227.08183	11.3
227.11861	1.8
228.06694	0.9
228.08922	1.8
229.09642	1.6
231.11224	1.4
237.10294	2.3
239.07967	0.8
239.11835	1.3
241.09740	12.8
243.11307	13.9
245.09412	3.6
246.07639	2.9
249.10228	1.4
250.10988	0.9
251.11804	2.8
253.09726	3.9
255.11229	0.9
257.09283	1.5
259.10794	12.5
261.12350	1.4
264.08710	0.8
265.09656	5.3
266.10574	1.4
267.08231	0.8
267.11334	4.3
269.09225	10.4
269.12790	2.1
279.11328	1.8
281.09198	2.3
281.12460	0.8
283.10883	0.9
285.08713	1.5
285.12372	2.1
286.09521	0.8
287.10284	100.0
288.10696	2.3
292.11771	0.8
293.09268	2.8
294.09845	0.7
295.10739	5.2
297.12317	1.1
301.11694	0.7
303.13245	1.0
306.10074	0.9
307.10773	1.6
309.12347	2.1
310.13235	0.9
311.10306	1.8
312.10959	0.9
313.11865	5.8
319.12955	8.4
320.13770	0.9
323.10422	0.8
325.11844	5.9
335.10345	2.8
337.11893	2.1
339.09839	2.0
341.11249	2.4
345.14798	0.7
353.11368	13.6
354.11771	0.9
355.13159	1.2
373.14127	1.5
385.13733	1.3
387.16199	0.8
390.83130	0.6
416.16043	1.0
430.17709	0.8
434.17316	0.7
444.17755	1.2
450.20004	1.4
458.17130	1.0
468.21320	3.2
476.18356	3.9
477.16736	1.0
494.19287	82.2
495.19281	2.4
498.21826	0.9
512.20361	10.0
526.21893	79.0
527.22272	3.1
615.24139	2.7
633.25177	1.4
634.22546	1.0
651.25665	1.7
665.26099	0.9
683.28876	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	683.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09552	0.9
50.38869	0.8
63.66804	0.8
66.44238	0.9
67.05489	1.6
69.07072	2.2
70.63850	3.0
76.05148	0.9
77.03934	1.3
79.05499	1.3
81.07065	1.2
82.06616	0.9
82.26740	0.9
85.02922	1.4
91.05489	9.0
93.07036	9.0
94.06562	2.6
95.04973	2.9
97.02891	1.0
103.22314	0.9
105.04556	1.1
106.06556	1.7
107.08620	1.4
108.08109	2.4
109.06526	1.9
110.06049	1.5
111.08090	6.6
117.06984	1.4
119.08587	1.1
120.08115	1.3
121.06532	1.9
122.06017	4.4
132.08168	0.9
134.09648	7.3
135.08055	2.5
136.07596	10.8
137.05998	3.5
138.09163	0.9
140.07082	6.6
144.08051	1.2
145.06493	1.0
148.07588	3.4
150.09145	3.4
152.07062	1.4
152.10724	5.5
154.08655	6.0
160.07584	1.4
162.09154	46.7
163.07576	2.8
164.07080	3.4
166.08662	11.3
170.09665	0.9
171.09180	4.0
173.10756	6.3
174.09140	2.8
174.55383	0.9
176.10745	1.3
177.05537	1.7
180.10199	41.8
185.10771	2.2
186.09149	1.1
190.08690	5.6
197.10719	1.6
198.09248	1.6
199.08665	6.2
199.12387	0.9
200.07062	1.4
200.09276	1.3
201.10258	5.6
202.08691	1.1
206.08260	0.9
208.09689	89.1
209.09976	1.4
211.08685	1.3
213.10254	7.9
214.08853	1.5
215.08162	5.7
215.11784	4.0
218.08044	1.8
220.09578	2.1
223.12361	1.1
225.06664	1.0
225.10271	2.0
226.08638	2.1
227.08170	14.9
227.11662	1.1
228.08951	1.4
229.09715	1.4
237.10161	2.8
239.08194	2.0
239.11853	1.5
240.08905	1.3
241.09711	16.2
242.10487	1.1
243.11301	16.9
245.09210	5.4
246.07631	3.0
249.10074	1.0
252.08992	1.2
253.09761	2.6
254.10335	1.0
257.09146	1.3
259.10779	22.2
261.12363	3.5
265.09799	3.8
267.07724	1.9
267.11295	4.5
268.12024	1.5
269.09244	10.5
269.12872	1.6
271.10629	1.2
277.09656	1.4
281.09311	1.9
283.10730	1.0
285.08743	7.2
285.12088	2.2
286.09512	2.4
287.10272	100.0
288.10455	1.6
293.09192	3.2
295.10751	4.4
301.11710	1.1
305.11334	5.4
305.14612	0.9
307.10938	1.3
309.12289	2.1
311.10281	3.3
312.08163	1.1
313.11838	5.4
319.12933	22.5
321.08661	1.3
325.11752	2.1
330.09793	1.2
331.12903	1.6
332.17889	0.9
335.10251	1.1
337.11758	2.8
339.09818	5.5
341.11484	2.8
353.11346	7.0
355.12668	1.7
360.17184	1.0
373.14038	2.1
408.73929	1.0
416.16022	1.4
426.16095	1.1
430.17514	1.9
444.17535	3.8
448.18741	1.7
450.20230	1.4
458.16840	2.7
466.20132	1.3
468.21417	4.7
476.19742	7.6
494.19260	83.7
494.73703	1.3
495.19418	2.0
508.21375	4.5
512.20337	9.7
523.06927	1.1
526.21857	99.8
527.22058	4.0
597.23407	1.0
615.23816	1.7
633.24536	3.4
642.44196	0.9
647.25140	1.4
651.26813	5.9
665.25916	1.6
683.30029	5.0
708.27710	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01854	1.0
55.05517	6.0
57.03438	1.2
61.02931	7.5
67.05508	6.4
69.03422	2.8
69.07059	1.8
71.04972	0.9
73.02912	4.1
77.72618	0.6
79.05502	6.9
80.05025	0.7
81.03429	1.3
81.07067	5.7
83.04987	0.8
83.08621	2.3
85.02930	5.4
86.06036	0.7
91.03974	3.6
91.05485	4.1
93.07047	3.4
94.06564	2.4
95.04955	0.9
95.08601	2.1
97.02898	5.0
97.10191	4.2
99.04459	2.4
101.02366	0.8
105.07075	3.1
106.06600	1.1
107.08575	3.1
108.08131	4.9
109.10169	1.4
110.09671	0.9
117.07025	1.0
119.03570	0.6
119.08681	0.7
120.08121	3.6
121.10163	0.8
121.81180	0.7
122.09677	2.1
123.08036	0.8
124.07593	3.9
125.09612	3.3
126.09150	1.3
127.03918	0.8
129.07039	1.0
131.07310	0.7
131.08551	1.0
132.08107	2.8
133.08864	0.8
133.10135	1.8
134.09648	1.7
135.08089	0.9
136.07628	1.1
138.09152	13.0
140.10677	0.7
143.08530	1.5
144.08115	0.6
146.09662	2.4
147.08095	0.7
148.07596	1.1
148.11198	0.9
149.09621	0.8
150.09077	1.6
152.07127	0.7
152.10690	0.7
158.09683	1.6
160.11250	1.5
161.11978	0.7
162.09206	1.4
164.10757	2.3
174.09201	1.2
176.10733	2.3
178.12312	1.7
183.13696	1.1
186.35194	0.6
188.10748	1.5
190.12265	0.6
197.11768	0.8
202.12328	0.8
215.12929	0.9
216.13890	0.7
230.15445	0.8
232.16975	1.0
242.15504	0.7
248.16502	0.7
258.18564	2.8
260.16589	2.7
262.18030	2.8
274.18106	2.0
276.19595	5.3
278.17572	2.1
288.19690	1.1
290.17557	6.1
292.18954	0.9
294.20755	0.7
300.19559	0.8
304.18964	0.8
308.18567	2.8
316.19089	0.9
318.20978	1.1
328.06204	0.7
330.20544	1.0
332.22284	1.6
382.27463	1.3
400.28351	3.1
410.27032	4.1
428.27991	15.6
446.29141	3.3
464.30124	0.9
476.29956	0.8
484.30637	0.9
502.31592	9.5
520.32739	100.0
521.32819	3.9
532.32471	0.9
544.32733	5.3
562.33868	4.1
586.33624	1.9
598.33704	1.1
610.33722	1.3
628.34625	2.4
646.35675	4.4
664.37170	3.0
682.35071	7.4
683.36041	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.05511	2.1
57.03427	2.7
61.02933	3.8
67.05511	5.1
69.03432	3.8
69.07063	1.6
70.17873	0.7
71.04993	1.1
73.02914	2.7
73.16888	0.7
79.05511	3.9
81.03420	5.4
81.07050	7.7
83.04994	1.8
83.08614	2.1
85.02887	4.6
86.39957	0.7
91.03963	3.3
91.05492	4.5
93.07068	4.4
95.04984	3.4
95.08618	1.6
97.02905	4.3
97.06517	1.6
99.04465	0.9
101.02402	1.3
105.07036	2.0
107.08601	2.2
109.02887	1.3
109.06532	0.7
109.10171	1.7
110.83508	0.8
119.08576	1.5
121.10166	1.6
123.11641	1.0
127.03929	1.6
131.08603	1.2
133.10158	2.2
135.11674	1.3
145.10068	1.0
147.08096	1.0
149.13333	0.9
157.10213	1.1
163.11169	0.8
175.11191	0.8
193.12364	1.3
203.05309	0.9
229.14345	1.5
235.13324	1.0
243.08528	2.1
269.12411	1.3
282.14081	0.8
291.19666	1.2
395.37161	0.8
418.17877	0.9
453.21030	6.5
469.20407	6.4
672.06714	0.9
681.34589	100.0
682.35028	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	682.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01880	1.3
55.05515	6.2
56.96563	0.6
57.03411	1.9
60.52814	0.6
61.02934	6.6
63.02954	0.6
67.05517	6.7
69.03433	2.9
69.07037	2.0
69.47138	1.3
69.47559	3.5
70.06581	0.6
71.01324	0.7
71.04978	1.6
73.02910	3.6
74.39075	0.5
79.05503	6.8
80.05021	1.3
81.03401	2.0
81.07063	5.4
83.04956	1.3
83.08633	3.3
85.02925	6.6
91.03961	4.0
91.05485	4.0
93.05777	0.9
93.07041	3.9
94.06603	3.3
94.07112	0.5
95.04938	0.8
95.08571	2.1
96.08112	0.9
97.02885	3.7
97.10189	4.2
99.04436	2.0
101.02354	1.1
103.05595	0.7
105.07008	3.1
106.06519	0.7
107.08593	3.3
108.08116	3.4
109.10131	1.2
110.09641	1.5
117.07020	1.1
119.08595	1.7
119.95510	0.6
120.08099	2.5
121.10113	1.0
122.06053	0.7
122.09658	2.4
124.07591	3.2
125.09602	2.6
127.03917	1.3
131.07269	0.6
131.08557	1.2
132.08112	3.2
133.08913	1.4
133.10114	2.1
134.09648	1.7
135.08092	0.6
136.07553	1.0
138.09135	9.6
139.03758	0.8
140.10680	0.9
144.08101	1.5
146.09653	2.6
148.07599	1.4
148.11313	0.7
150.09120	1.5
152.10681	1.3
158.09650	1.1
160.11238	1.2
162.09146	1.9
163.09953	0.7
164.10677	2.0
169.10207	0.6
169.12300	0.6
172.11217	0.7
174.09184	1.7
176.10721	1.8
178.12271	1.3
183.13817	1.1
189.11264	0.9
190.12157	1.0
197.11682	0.7
199.13246	0.7
215.12755	0.7
221.84315	0.7
232.17014	0.8
242.15051	0.6
244.16982	0.9
256.17099	0.9
258.18610	2.6
260.16464	1.6
262.18060	1.9
274.18057	2.6
276.19525	5.6
278.17551	1.6
288.19635	0.8
290.17520	3.8
292.19147	1.1
294.20715	1.2
302.17303	0.6
308.18839	1.3
316.19308	1.1
318.20544	0.9
328.06183	1.4
330.20865	0.8
332.22406	0.9
339.99884	0.8
346.20038	0.9
382.27402	1.4
400.28708	2.6
410.26807	3.9
428.28003	14.4
446.29016	3.4
452.28278	0.7
470.20529	1.4
470.28732	0.8
476.30182	1.0
502.31726	11.6
520.32758	100.0
521.33014	3.8
532.32782	1.0
544.32623	4.6
554.30933	0.9
562.33832	5.5
586.33630	0.9
598.33954	0.8
610.33942	2.1
628.34247	2.8
646.36133	3.3
664.36963	2.3
672.02490	0.7
682.35034	20.7
683.35834	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00274	0.4
56.00789	0.4
58.73175	0.5
67.05488	0.8
69.07043	1.0
71.28439	0.6
71.28761	0.6
82.16274	0.4
83.04977	0.5
84.08129	0.4
91.05423	0.6
94.06579	4.6
95.04957	0.8
97.06522	1.3
97.78567	0.4
105.06972	0.5
108.04463	0.7
110.06032	2.4
112.07610	1.0
115.94331	0.5
116.04946	1.2
118.06513	0.5
122.06028	12.0
123.04383	0.7
124.07553	0.7
135.32410	0.4
136.03975	0.5
136.07587	0.8
137.05984	0.7
140.07069	14.4
144.04424	1.6
144.08035	0.6
146.06015	7.0
149.07133	0.6
150.05481	1.5
152.07076	1.4
158.09596	0.6
160.07571	1.5
160.09889	0.5
162.05537	1.3
162.09128	0.6
170.09628	0.6
172.03932	12.6
172.07536	0.7
173.04710	1.1
173.08374	0.6
174.05527	6.2
174.09138	0.8
175.08636	0.6
175.12247	0.8
177.06625	0.7
178.08630	0.5
184.07597	0.5
185.08340	0.9
186.09164	5.6
187.08751	1.2
188.09471	1.0
191.05690	0.5
196.07578	0.8
198.07576	0.5
198.09203	1.3
200.07018	0.8
200.10706	1.5
201.10277	0.8
202.08673	0.9
202.10979	2.7
203.11787	5.8
204.06566	20.9
206.08128	7.6
208.09637	0.5
213.10161	2.2
214.08661	10.6
215.08160	4.9
215.11765	0.6
216.08855	0.8
217.09685	1.1
227.11829	1.6
228.10219	4.9
229.09631	2.5
230.10356	1.1
231.11261	6.9
239.11743	0.5
241.07542	0.5
241.09732	2.4
242.08136	1.5
243.11345	1.1
245.09212	2.0
245.12885	1.4
247.10770	1.9
255.11292	5.7
256.09695	2.9
257.09277	1.1
257.12909	2.0
258.09964	0.9
259.10791	81.1
260.11081	1.2
271.06006	0.7
271.10852	2.6
273.12326	7.2
273.29205	0.5
283.10806	3.7
285.08990	0.5
285.12357	1.6
289.11798	0.6
299.10333	0.7
301.11838	62.8
302.12146	0.9
313.11804	7.8
317.11401	1.5
319.12891	100.0
320.13104	1.2
328.90100	0.5
331.12881	1.8
334.05475	0.5
335.12381	3.1
336.13074	0.6
337.13940	19.6
345.14481	8.1
415.00177	0.6
487.42249	0.5
490.15503	0.6
505.18655	1.1
508.17331	0.9
523.19299	1.0
645.25732	1.3
649.25421	0.7
663.26666	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	681.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
55.01876	1.2
55.05484	1.3
67.05515	2.4
69.03417	1.9
69.07069	2.6
69.57678	4.5
69.58099	3.4
74.18842	1.0
79.05489	1.8
80.04980	1.1
81.07063	1.7
84.08128	1.1
91.05483	10.9
93.07043	9.3
94.06576	5.9
95.04982	3.2
96.04477	1.4
99.15823	1.4
106.06549	2.3
107.11167	1.3
108.08116	5.0
109.06497	1.3
110.06032	3.9
111.08081	7.8
117.07029	1.8
119.07328	1.7
120.04460	2.1
121.06511	2.5
122.02374	1.4
122.06021	5.4
124.07628	2.5
132.08124	1.7
134.06004	3.7
134.09641	7.4
135.08031	2.2
136.07571	8.1
137.05989	3.9
138.05539	1.6
138.09158	2.7
140.03397	4.4
140.07071	4.7
144.08116	1.9
145.06555	1.8
146.05988	2.7
147.06760	1.5
148.03947	2.0
152.07083	4.2
152.10695	4.4
154.04956	3.5
160.07527	2.6
162.05502	4.1
162.09163	44.5
163.07542	3.6
167.07202	1.3
170.09712	1.5
174.09161	1.6
176.03452	1.3
178.05028	1.5
180.10222	39.6
184.07581	2.0
186.09233	2.1
187.08672	1.5
187.12273	2.3
188.07024	1.9
190.05006	2.1
190.08627	7.2
192.10168	1.6
199.08696	4.2
200.09425	2.3
201.10220	3.0
204.10252	1.4
208.09706	90.7
211.08672	2.9
213.10275	7.0
214.11028	2.0
215.11783	6.5
222.11331	1.5
223.08708	1.6
225.10181	4.6
227.08112	3.1
227.11734	2.9
228.10393	1.4
229.09705	1.6
229.13358	1.4
231.11304	2.5
237.10280	4.5
239.08148	2.3
239.11833	2.3
240.08763	1.4
241.09753	3.6
242.08138	2.7
243.11342	23.8
249.10190	1.7
251.08081	2.1
252.08821	1.5
253.09773	3.2
255.11241	4.1
256.09552	1.5
257.12823	3.6
265.09802	5.8
266.10550	1.7
267.11319	9.0
269.09232	3.7
270.07574	2.3
271.10907	2.0
273.12357	5.3
274.13174	5.6
277.09671	1.7
281.09152	2.1
283.10767	7.8
284.09140	3.1
285.12372	37.2
287.10263	4.9
293.09256	11.4
295.06119	1.8
295.10733	3.4
301.11835	5.8
302.12762	4.5
303.13452	32.3
306.12540	2.4
309.12320	1.5
311.10254	15.9
312.08698	5.4
313.11987	1.3
316.11093	1.4
320.14017	1.5
325.11761	2.1
329.11365	8.2
330.09500	8.5
332.13840	2.0
336.13251	3.3
337.11737	1.7
343.12939	4.7
344.11166	6.3
346.11795	2.0
347.12479	12.2
348.13467	2.0
356.13974	2.1
360.13571	3.2
361.14203	7.2
363.12140	1.7
372.13559	1.8
374.10678	1.5
376.12875	3.7
378.14383	4.3
381.10687	2.2
384.13568	1.4
386.15039	1.9
388.12888	5.0
390.14355	1.4
394.14066	2.1
404.12164	6.7
405.12766	1.7
406.14056	8.7
420.15521	2.1
422.13434	8.4
423.13968	2.0
424.15070	18.5
430.14017	4.1
432.15469	4.0
442.15311	1.4
446.16592	1.4
454.15750	1.4
456.17422	2.3
458.13470	2.0
472.15054	2.0
474.18637	10.2
488.13742	1.3
490.16171	5.5
492.17813	6.0
506.19928	1.6
508.18152	1.6
510.91586	1.3
522.18829	2.1
567.22186	1.6
569.23767	2.0
577.20453	2.0
585.23254	1.6
587.24591	2.7
595.21991	10.4
596.20898	1.7
613.22998	31.0
614.21545	3.8
627.24384	3.2
631.24078	100.0
645.25635	7.7
649.25006	9.2
663.26630	21.2
681.26898	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	681.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.9
56.96572	3.7
57.03443	2.7
61.02929	3.3
65.03905	2.1
68.99791	3.7
69.03419	2.6
69.25920	20.0
73.02890	2.1
81.03401	2.3
83.62383	2.1
85.02911	26.4
87.00836	4.2
91.05482	7.2
97.02909	2.1
98.97582	3.8
103.03941	5.4
107.04931	3.1
107.08572	2.5
109.02861	4.9
115.05440	2.1
117.37906	2.3
119.04966	9.3
121.02876	48.8
121.03791	1.6
127.03992	3.0
131.04912	2.6
135.08072	10.1
137.02277	2.6
145.02821	5.7
147.04488	2.8
158.99573	2.2
159.04471	2.9
163.03986	2.7
163.07532	3.7
165.01852	2.7
176.00966	2.3
177.01904	3.5
177.05473	3.0
179.03435	3.7
187.03937	2.6
189.01947	11.5
191.03389	7.8
195.02927	5.3
201.01906	3.4
201.05550	5.6
203.03452	10.2
205.05144	2.1
207.02922	9.9
209.04514	2.9
215.03381	4.8
217.04977	4.4
219.02913	9.5
219.06525	2.8
221.04445	4.5
227.03429	2.6
229.05017	9.5
231.02838	2.9
233.04512	4.2
237.11018	2.8
239.07117	2.4
243.02864	2.9
244.59637	2.0
247.06071	3.6
255.02840	4.4
257.04553	5.1
259.10809	2.8
267.06601	2.4
268.07333	3.1
279.06619	7.1
280.07303	4.7
281.04605	3.4
281.08047	8.6
283.05911	10.5
283.08746	2.6
284.06595	2.6
285.03827	4.3
291.06622	3.6
293.05179	3.1
293.08109	7.1
294.05276	34.2
295.06030	50.0
295.09348	4.0
296.06693	5.8
297.04538	2.6
297.07559	12.7
301.12100	2.9
305.08078	5.0
307.06046	72.3
307.09344	2.4
308.06821	22.1
309.04126	3.3
309.07584	24.9
313.07074	7.9
317.08072	3.0
319.06116	11.7
319.09439	4.1
319.12918	4.9
320.06699	6.4
321.07571	37.0
322.08344	24.2
323.05582	3.8
323.09085	9.8
325.07065	76.3
331.09491	2.5
332.06912	5.1
333.07578	12.3
335.09100	18.6
336.06198	5.0
336.09857	2.5
337.07092	100.0
337.10999	5.9
339.08725	4.3
345.07632	6.3
346.08255	4.4
347.05356	3.9
347.09149	29.8
349.07089	28.4
349.10925	3.7
350.07806	4.7
351.08667	37.2
355.08173	31.6
357.07605	8.3
359.09171	3.3
361.07053	12.6
361.10947	4.1
363.08597	7.6
365.06003	2.6
365.10284	33.3
367.08121	7.2
373.07089	6.9
375.08679	32.6
377.06329	3.9
379.08130	74.0
385.06906	11.5
387.08621	4.7
389.10281	8.8
391.08069	26.9
393.09961	3.6
399.08725	4.0
401.10257	3.1
403.08157	43.7
403.12924	3.8
405.09586	3.6
409.09189	10.8
417.09784	4.9
421.09216	66.3
427.09668	4.1
433.09348	5.0
439.10229	10.9
441.10013	2.3
445.09079	12.0
457.11359	43.0
463.10254	7.7
469.08780	3.7
475.12274	24.5
481.05148	1.7
481.11316	47.3
487.09985	3.8
499.12485	28.8
505.11716	10.8
507.09384	7.3
519.17157	2.7
523.12445	47.9
525.10297	62.2
541.13470	9.5
543.11414	96.6
549.10773	3.5
561.12207	3.9
583.14722	5.4
591.11438	3.8
609.12384	7.5
627.13489	34.3
645.14386	17.7
663.15662	5.2
677.12311	2.4
681.23029	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	680.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.6
55.01854	4.8
55.05515	40.3
56.70134	4.6
57.03439	11.8
59.58664	4.4
67.05167	9.0
67.05507	91.9
69.07072	34.7
69.18060	26.4
69.18495	22.7
74.83801	4.1
79.05497	66.6
81.06587	6.3
81.07064	100.0
81.28098	4.7
83.04987	11.5
83.08609	17.2
86.09728	6.9
89.22816	5.1
91.05486	50.6
93.07047	83.5
95.04966	5.3
95.08615	51.1
97.06545	10.4
97.10188	8.1
105.07034	44.9
107.04911	6.2
107.08614	48.5
109.10175	37.9
111.08076	7.4
115.05540	5.6
117.07008	18.3
119.08586	32.5
121.10134	28.9
123.08061	5.9
123.11694	8.5
129.07034	9.9
131.08574	23.5
133.10124	29.3
135.08020	6.1
135.11720	22.4
137.73726	4.3
139.11237	5.6
143.08521	9.1
145.10115	22.7
147.11671	14.6
147.62703	5.0
149.09618	7.0
149.13271	16.3
157.10135	7.8
159.11699	11.3
161.13333	10.7
164.11801	4.5
170.79265	5.0
171.11700	11.7
173.13246	11.0
175.15103	5.2
183.11676	5.1
184.07259	9.5
187.14873	8.3
227.12781	6.4
229.14375	23.6
239.18036	5.9
259.20657	8.3
261.22113	17.9
269.17520	22.2
275.20068	16.1
288.76712	4.9
333.24344	6.2
335.25833	76.0
349.23816	14.8
367.24802	14.3
469.79495	5.4
489.35883	9.3
527.37457	12.2
529.39014	29.3
536.87708	4.9
609.44910	17.2
627.45776	16.2
680.41858	8.7
681.42706	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	679.33
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.05508	3.5
57.03433	3.2
61.02924	4.4
67.05508	7.7
69.03433	3.2
69.07078	2.1
70.67094	4.0
73.02918	3.5
79.05501	6.3
81.03417	10.2
81.07062	7.0
83.05003	1.5
83.08614	3.1
85.02909	7.5
91.03956	2.5
91.05490	9.0
93.07059	6.1
95.04980	4.3
95.08624	2.7
97.02891	5.1
99.04469	1.9
101.02388	1.6
105.07029	4.9
107.04955	1.8
107.08593	4.5
109.02972	1.2
109.06579	1.5
109.10178	3.8
117.07009	1.9
119.04985	1.5
119.08587	3.4
121.06498	1.9
121.10143	2.2
127.03931	2.0
129.07025	1.4
131.08556	3.6
133.10155	3.2
135.11664	1.5
139.59465	1.2
145.06529	1.2
145.10121	2.5
163.11224	1.7
173.57994	1.3
184.07419	4.2
193.12253	3.2
211.13202	1.5
233.15459	3.0
243.08618	1.9
267.16116	2.1
285.09930	1.3
307.19083	3.8
334.35477	1.3
339.12454	1.6
401.06729	2.0
424.27734	2.0
450.29272	2.4
451.19574	3.3
453.20975	2.7
467.18768	5.6
482.31815	1.6
499.30362	2.6
507.45212	1.2
589.18829	1.8
661.37128	1.6
679.32990	100.0
680.32990	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	680.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.0
53.87592	6.3
55.01872	8.0
55.05511	24.2
57.03417	8.5
67.05510	100.0
69.07066	27.3
71.08652	41.4
71.56029	6.8
74.09653	7.2
77.59153	6.3
79.05508	57.7
81.07066	89.4
83.04990	11.0
83.08624	19.8
85.06551	12.2
91.05506	62.5
93.07037	80.5
95.04953	15.4
95.08621	51.1
97.06536	11.1
99.08076	24.1
105.07029	31.7
107.08609	43.6
109.10158	35.4
111.08112	9.8
117.07015	14.5
117.90164	7.1
119.08593	25.2
121.10149	28.0
126.97154	8.3
131.08530	16.9
133.10156	23.3
135.07988	6.7
135.11710	30.9
145.10204	10.9
149.13260	18.0
151.11183	30.0
157.10030	6.9
159.11662	16.8
161.13235	20.9
163.11197	14.7
166.98459	7.4
177.12825	9.7
179.14325	69.2
192.95773	7.9
195.13818	14.3
219.91493	8.0
229.14406	7.3
269.17499	19.4
275.20175	8.9
277.21646	69.7
293.21136	11.3
313.26941	10.1
351.25412	49.1
545.38287	82.6
627.45795	31.8
680.42047	13.5
681.43127	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	679.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
55.05498	5.5
55.56479	1.8
64.09587	2.1
64.70368	1.9
66.06480	1.7
67.05505	5.9
69.03431	3.3
70.06579	2.3
71.55645	3.6
73.26947	2.1
79.05483	6.1
79.40403	2.0
81.03408	3.5
81.07047	5.9
82.06570	2.8
83.08596	2.1
85.02901	6.0
85.03983	1.7
85.25348	1.7
90.48302	1.6
91.05479	4.9
93.07050	9.3
94.06584	7.8
95.04955	2.4
95.07346	7.3
95.08627	3.5
96.08141	18.3
97.02888	3.2
100.11260	13.6
105.07022	3.5
106.06551	8.3
107.04958	2.4
107.08578	3.8
108.04545	2.1
108.08134	18.7
109.10181	3.0
109.25150	2.0
110.06056	2.9
110.09688	26.6
111.14757	2.0
118.06557	2.1
119.08543	1.9
120.04485	4.5
120.08118	22.2
121.06528	2.0
122.06034	11.7
124.07610	14.1
125.93116	2.1
126.05575	2.2
127.03903	3.1
133.10097	4.8
134.09648	3.5
135.11658	2.1
136.07573	24.8
137.06010	11.2
138.05501	3.2
138.09157	38.0
144.04497	4.6
145.10146	3.1
146.06026	25.6
148.07602	11.9
150.09129	12.0
152.07091	21.2
158.05988	2.7
159.08076	2.0
160.03944	2.4
160.07573	3.2
162.05516	3.8
164.07141	9.7
166.08652	81.0
167.07094	2.1
172.03972	18.8
175.07623	2.1
176.07091	3.0
177.05391	2.2
182.08182	2.5
182.15387	6.4
190.05014	20.9
197.10721	2.5
198.11552	5.1
199.12425	2.0
201.05571	3.9
204.06544	35.6
208.09828	2.3
209.16574	4.0
210.11552	4.7
210.14862	5.9
211.12250	9.1
218.08144	4.6
221.10756	2.5
223.12294	7.8
225.10262	6.8
225.13924	3.9
226.10942	6.1
227.11790	6.1
235.08702	3.0
235.12338	2.8
236.09251	2.1
237.10252	12.0
237.13937	3.3
238.11020	7.9
239.11784	18.3
241.13252	3.7
243.11224	2.8
246.07600	2.9
249.10298	11.2
250.10979	9.9
251.08159	2.1
251.11847	23.0
252.08888	4.0
252.12520	4.7
253.09689	2.2
253.13367	8.8
255.11282	3.5
256.12024	5.6
257.12762	3.7
262.06546	2.8
263.11829	29.8
264.08789	4.8
264.12537	7.7
265.09634	5.9
265.13358	16.1
266.10474	6.0
267.11292	15.1
269.08282	3.1
269.12881	8.1
271.14529	6.4
273.12335	4.9
276.08817	2.3
277.09622	4.7
278.10449	5.4
279.11292	35.9
280.12030	4.4
281.12885	16.6
282.09924	2.7
283.10889	4.4
284.11588	6.0
285.12341	23.9
287.13904	6.2
291.11246	20.7
292.12024	7.5
293.12848	25.8
295.10712	5.3
296.11780	4.1
297.12366	60.5
297.15735	3.1
298.13049	5.6
299.13885	33.5
303.13486	3.1
305.08096	4.7
305.14691	2.0
307.10556	3.0
309.12335	30.8
309.24448	3.1
311.10532	3.4
311.13931	12.2
313.11850	2.9
315.13431	37.5
319.10797	20.6
321.12341	6.5
323.10422	10.2
323.16147	4.0
325.11835	42.1
327.13361	8.7
327.25360	3.5
330.16144	2.1
337.11841	100.0
338.12180	4.4
339.13373	6.9
341.11249	4.6
343.12814	5.0
355.12531	4.0
357.14417	10.4
369.14423	6.5
373.13995	3.8
388.16458	2.5
398.15021	3.0
399.15869	3.0
401.13507	8.1
402.18149	2.2
404.20065	3.0
414.17996	2.5
416.15857	3.3
422.21088	2.6
432.19122	3.1
446.21191	3.6
448.18692	2.3
449.19275	4.4
450.20450	9.4
462.20270	7.5
464.22092	60.7
465.22629	2.5
472.18909	3.5
476.17990	6.2
482.19110	4.7
490.19806	93.5
491.19958	6.5
492.21231	2.7
508.20602	8.1
517.29279	2.5
522.22449	49.7
523.22968	7.1
587.24622	4.1
611.24896	13.5
629.26331	11.7
647.27100	27.5
679.35010	7.1
679.50964	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	678.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
66.08711	5.7
69.39432	13.2
69.39843	29.9
77.38956	6.1
152.48325	6.3
161.28255	5.8
386.16095	6.4
418.17767	6.9
445.20346	10.5
459.22089	15.2
461.19235	9.9
475.21765	24.6
476.21973	6.7
477.22531	7.6
535.23627	9.6
547.26630	15.9
548.24377	7.1
561.25531	11.8
563.26385	16.8
565.23566	6.5
589.24194	12.4
593.26025	7.6
595.25812	10.1
606.28833	38.1
621.27081	57.5
622.27936	100.0
623.27716	8.5
638.27161	21.2
678.28912	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	678.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50118	4.8
53.03942	6.2
55.05519	42.7
57.03441	10.0
57.07071	9.9
59.04990	6.9
59.22075	5.5
67.05511	87.0
67.20242	5.0
69.07070	32.1
70.93918	12.7
71.04986	7.7
79.05493	70.7
81.07059	91.1
83.04992	10.7
83.08623	25.0
86.09702	25.8
91.05493	100.0
93.07047	88.0
95.04980	12.0
95.08621	55.7
96.35609	5.9
97.06554	14.7
98.98450	6.5
105.07043	75.5
107.08589	44.3
109.10168	27.4
117.07050	28.1
119.08588	61.5
121.10131	30.8
123.11759	13.0
125.00014	15.4
129.07004	22.5
131.08577	35.4
133.10138	47.7
135.11647	28.8
137.09566	6.0
143.08580	20.5
145.10115	32.8
147.11716	39.7
149.13219	7.0
155.08572	16.0
157.10120	17.3
159.11729	30.1
161.13297	14.0
167.08571	8.2
171.11734	17.8
173.13278	15.6
178.45175	5.6
181.10071	5.6
183.11707	10.7
184.07365	71.4
185.13307	10.1
195.11652	6.2
197.13283	7.7
199.14746	5.7
241.19502	15.4
255.15851	14.4
259.20618	36.2
269.17636	13.3
275.20068	17.0
315.23346	12.2
333.24341	32.7
349.23849	6.8
513.35797	9.6
527.37427	25.4
562.83563	6.0
607.43500	13.6
625.44501	14.3
677.86353	7.4
678.29547	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	677.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	0.5
67.71681	0.4
70.22655	0.3
79.05499	0.5
81.07085	0.5
93.07037	0.4
98.21500	1.0
105.07035	0.4
115.46777	0.3
132.25638	0.3
185.04234	0.7
203.05376	0.4
259.07870	0.4
322.68594	0.3
347.09573	1.1
404.97794	0.4
515.31934	20.1
516.32477	0.5
677.37189	100.0
678.37494	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	677.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46733	3.2
53.03946	5.6
54.07865	3.0
55.05519	17.9
57.03438	4.4
57.07088	5.2
61.02935	16.1
65.03947	3.4
67.05177	4.7
67.05513	78.0
69.03440	5.7
69.07079	13.0
69.80431	11.8
71.05011	3.3
73.02927	6.8
79.05506	42.7
81.03445	3.1
81.07066	79.1
83.08627	9.9
85.02901	19.1
85.06516	2.9
91.03982	14.1
91.05489	25.6
93.07050	58.0
95.08614	64.6
97.02907	11.9
97.06526	3.5
97.10191	3.7
105.07047	25.1
107.08603	34.2
108.07218	2.5
109.10174	38.8
117.07024	8.5
119.08595	14.9
121.10155	30.2
123.11716	20.2
127.03931	7.6
131.08582	20.6
133.10149	13.5
135.11714	25.9
137.13280	8.8
142.58798	3.0
145.05003	11.3
145.10152	16.8
147.11700	11.2
149.13268	23.3
151.11197	3.0
151.14870	2.8
159.11742	18.1
161.13263	11.1
163.06049	9.1
163.14822	13.0
173.13292	14.1
175.14825	4.2
177.16402	6.5
187.14859	10.3
191.14444	3.1
194.39709	2.8
201.16376	3.7
215.18549	2.6
227.22527	2.9
232.18340	2.8
233.22650	5.1
243.21095	32.2
261.22174	100.0
279.23154	4.0
308.36182	2.8
335.25867	34.3
353.26920	25.8
377.36411	2.7
497.31363	4.7
584.14606	3.7
677.35486	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	677.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.05512	1.7
55.13091	0.5
57.03437	1.6
61.02925	5.4
67.05509	10.8
68.78340	0.6
69.03435	2.2
69.07063	2.9
71.55556	1.1
73.02914	2.3
79.05496	7.5
81.03423	2.6
81.07057	12.6
83.04982	1.0
83.08631	1.6
85.02906	5.3
85.06559	0.7
91.03956	4.3
91.05479	5.5
92.17617	0.5
93.07046	9.7
95.04971	1.3
95.08612	7.2
97.02898	3.7
97.06561	1.1
97.10167	0.6
99.04420	0.8
99.08093	0.9
101.02406	1.0
105.07028	3.2
107.08605	4.9
109.02948	0.7
109.10196	3.3
117.07035	1.8
119.08589	2.7
121.10134	3.7
123.08074	0.6
123.11743	1.9
127.03979	0.9
129.07019	0.7
131.08615	2.7
133.10149	2.3
135.11719	2.4
137.02403	0.6
137.13306	0.7
145.10167	2.2
147.11739	2.2
149.13214	3.7
159.11699	2.0
161.13303	1.1
163.06084	1.0
163.14848	1.6
171.11726	1.3
173.13295	1.5
201.16441	0.7
207.13977	0.8
235.13037	1.3
243.08383	1.7
243.21062	3.3
261.22147	9.3
281.23703	0.7
335.25922	2.6
353.27057	1.9
375.41064	0.6
420.73245	0.7
453.20941	7.9
465.21085	7.0
515.29657	0.7
597.37549	0.8
677.35052	100.0
678.35510	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	677.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	0.6
69.07102	0.3
70.71764	0.7
79.05499	0.4
81.07070	0.4
85.02923	0.3
93.07085	0.4
95.75137	0.2
112.22570	0.3
170.61815	0.3
176.85466	0.3
185.04231	0.9
187.94411	0.2
193.12338	0.2
197.17081	0.3
203.05301	2.2
222.13153	0.2
229.63007	0.3
256.26315	0.3
259.07916	1.5
287.90347	0.2
305.13541	0.3
323.87610	0.3
333.24945	0.6
347.09479	1.2
365.10538	3.5
421.13162	1.0
515.31940	21.9
516.31964	0.6
566.95190	0.3
677.37195	100.0
678.37445	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	677.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.8
55.01857	1.8
55.05492	1.5
57.03414	2.7
61.02903	0.8
63.48072	0.6
67.05497	3.3
68.99760	0.9
69.03437	6.3
71.04971	1.3
71.55030	0.8
73.02900	1.3
79.05492	3.4
81.02991	0.7
81.03424	10.1
81.07063	4.2
83.04937	0.7
83.08590	1.9
85.02914	8.2
86.50343	0.7
87.00834	4.8
91.05475	2.5
93.07014	2.6
95.04971	1.6
95.08585	1.3
97.02909	3.5
97.06489	0.9
99.04449	2.2
105.01847	1.6
105.07011	1.9
107.04939	1.1
107.08576	2.0
109.02881	6.3
109.06510	0.9
109.10141	1.0
117.01846	0.7
117.07024	0.6
118.44953	0.6
119.08572	1.9
121.10134	0.7
127.03926	8.0
131.08600	0.8
133.10086	2.0
135.11655	1.5
145.04933	1.7
145.10091	0.8
147.04225	0.7
147.11618	0.8
151.07550	1.5
151.11195	0.6
159.02936	3.0
159.11783	0.8
163.03838	0.7
165.05502	4.3
181.01331	0.8
193.12292	1.4
195.02921	0.8
214.38164	0.5
225.10254	0.6
253.04944	0.8
253.14333	1.5
255.15952	1.7
259.06027	1.8
267.15884	1.7
268.16174	0.8
269.17554	1.5
270.17731	0.7
271.06009	1.6
274.08386	1.2
283.05994	0.7
284.06848	0.9
285.16980	1.0
287.05505	4.0
299.05453	1.7
302.07645	0.9
311.05557	0.8
313.03430	0.6
315.05014	11.4
327.05054	1.5
329.06461	2.1
330.07498	3.8
340.06012	1.2
343.04517	3.1
344.05200	1.3
345.09692	0.9
357.06125	6.9
358.06885	19.7
359.07471	2.0
371.07462	1.3
373.09213	100.0
374.09579	2.1
429.15485	84.8
430.15921	1.9
447.27100	1.3
448.27625	2.2
461.29028	0.8
462.29028	0.8
479.30426	1.7
480.30472	2.3
677.34454	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45001	1.5
53.03947	2.3
55.05519	13.0
57.03437	11.7
60.16449	1.8
61.02928	6.4
65.03948	2.1
67.05510	37.0
67.17619	1.5
69.03414	3.8
69.07067	13.6
69.33710	14.7
71.04990	5.1
79.05501	31.4
81.03426	43.7
81.07066	50.2
83.04974	13.1
83.08627	22.2
85.02911	16.0
85.06538	1.9
85.95132	1.5
91.03989	3.6
91.05489	32.4
93.07058	38.3
95.04977	15.7
95.08619	14.8
96.54231	1.7
97.02883	4.9
97.06535	7.5
97.10165	4.0
99.08080	2.4
101.43682	1.8
104.30296	1.4
105.07038	16.3
107.04973	6.1
107.08604	20.6
109.06541	5.1
109.10169	3.6
111.04529	2.0
111.08104	7.4
113.05958	2.2
117.07064	5.2
119.08575	14.6
121.06509	2.2
121.10134	10.7
123.08091	1.9
123.11710	3.6
129.07019	7.5
131.08586	11.9
133.10135	10.2
135.11722	3.7
137.09586	3.1
147.11700	9.8
149.09663	4.6
149.13277	13.1
157.10159	9.9
159.11711	6.7
175.11156	8.9
177.12720	2.6
193.12247	32.6
193.13895	3.0
195.13803	8.1
211.13322	44.1
249.14917	2.3
267.15912	25.9
269.17514	60.0
285.16953	31.8
339.14557	5.3
360.78793	1.7
435.27225	2.1
461.29007	56.4
462.29297	2.9
479.30087	100.0
483.16415	3.3
484.16818	3.3
497.18045	4.0
498.18637	11.1
598.71710	1.7
636.40503	1.9
676.26855	28.9
677.27972	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	676.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.3
55.01880	1.3
55.05515	12.0
57.03447	11.7
57.07064	1.5
60.10295	1.1
61.02922	4.3
67.05509	35.2
69.03439	2.3
69.07076	10.9
69.39479	1.1
69.88342	5.8
70.77901	1.2
71.04990	3.4
73.02887	1.2
79.05499	28.2
81.03426	32.9
81.07061	49.2
81.78469	1.0
83.04993	9.0
83.08627	19.5
85.02912	16.3
85.06538	1.7
91.03943	2.4
91.05492	25.6
92.59892	1.3
93.07049	29.3
95.04984	14.6
95.08608	10.9
97.02886	3.9
97.06539	4.7
97.10194	1.6
99.04465	1.5
99.08094	1.5
105.07040	14.0
107.04960	4.2
107.08604	14.2
109.06522	3.9
109.10164	2.4
111.08113	8.5
113.06005	1.5
117.07029	4.5
119.08586	12.1
119.66752	1.1
121.06547	2.2
121.10136	8.3
123.08079	2.0
123.11734	3.1
125.09616	1.7
129.07024	4.9
131.08592	9.1
132.38185	1.1
133.10141	13.4
135.08093	1.9
135.11670	5.3
142.07829	1.3
147.08086	2.8
147.11696	8.2
149.09653	2.2
149.13269	7.3
157.10133	7.2
159.11697	4.5
165.12759	2.1
172.67926	1.1
175.11209	8.8
178.92281	1.4
193.10892	0.8
193.12259	26.4
195.13808	8.1
211.13315	34.9
213.14944	1.5
249.14940	1.1
251.16577	1.7
267.15955	14.8
269.17490	44.7
285.16989	32.7
441.84549	1.3
443.27927	3.0
461.29010	29.3
462.29355	1.3
479.30060	100.0
480.30582	1.8
676.26782	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	675.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.4
55.01887	1.1
55.05526	8.4
57.07075	1.8
59.05008	2.3
67.05512	9.6
68.99805	3.6
69.03428	2.7
69.07077	37.1
70.22153	4.2
71.04994	2.4
71.08646	1.4
77.55215	1.0
79.05502	10.1
81.03443	1.5
81.07065	16.0
83.01348	2.3
83.04981	1.9
83.08631	3.5
85.06546	1.4
86.10419	1.0
91.05482	7.8
93.07049	13.6
95.04975	3.2
95.08612	14.9
97.06552	5.1
97.10204	2.2
99.08106	2.8
103.05493	3.7
105.07047	15.0
107.04964	1.8
107.08607	15.1
109.06522	3.4
109.10184	9.9
111.08070	1.9
111.11728	5.6
111.88589	1.0
115.05478	1.1
117.07030	2.9
118.04162	3.7
119.08586	13.5
121.06509	13.0
121.10162	16.1
123.08064	1.3
123.11707	3.6
125.09591	1.5
129.07040	2.2
131.08574	5.0
133.06508	32.0
133.10133	7.3
135.04437	1.3
135.08060	7.8
135.11691	12.3
135.28362	1.2
137.09622	1.5
137.13278	3.1
139.11205	2.9
141.09105	1.4
143.08563	2.6
145.06516	2.5
145.10072	5.2
147.08035	2.1
147.11717	8.0
149.09631	2.0
149.13281	4.2
150.68103	1.1
153.12701	1.2
157.10156	4.2
158.10991	1.2
159.08090	2.1
159.11696	3.9
161.05997	100.0
161.13287	5.2
162.06235	1.4
163.11223	2.7
167.14351	2.1
169.01352	1.6
171.08176	1.5
171.11746	2.5
173.09676	2.1
173.13338	2.1
175.07593	1.8
175.11211	3.9
175.14868	10.4
177.05464	1.7
177.12827	1.3
177.16473	2.4
181.01271	8.0
181.10136	1.4
185.05891	1.4
185.09605	1.3
185.13254	1.7
187.07544	1.4
187.11214	1.7
187.14888	2.3
189.12770	2.8
191.14345	1.3
193.15973	2.8
199.02415	9.5
199.11259	2.6
200.41995	1.1
201.12952	1.4
201.16429	2.2
203.07033	10.9
211.16884	2.0
212.28125	1.3
213.05516	1.2
215.07086	2.4
215.14401	1.5
225.12628	1.4
229.05101	1.5
231.06631	3.5
233.08029	1.9
241.08560	1.3
243.06628	2.7
247.06042	2.9
249.07582	2.3
255.10292	2.7
269.11664	1.8
271.09756	1.2
271.13269	1.2
281.19116	2.0
283.13498	2.0
285.11349	1.7
297.11224	1.4
303.12369	1.9
311.12808	4.0
315.08710	8.5
325.14392	1.3
329.24829	1.2
339.19589	2.1
351.16098	2.2
365.17630	2.6
367.18848	2.6
369.17365	1.4
383.14563	1.8
385.20187	1.5
409.23792	3.4
419.18463	1.4
423.24969	1.2
427.24994	1.5
437.23154	1.5
477.29901	2.2
479.31595	2.2
487.28412	4.9
501.26331	2.7
505.29593	7.7
523.30560	1.6
525.30316	1.4
527.36676	1.4
543.30927	4.5
561.31824	4.7
621.35571	2.1
639.36920	7.1
675.45874	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	675.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	9.1
57.07079	3.0
59.05003	2.9
66.04738	1.2
66.07884	1.1
67.05511	11.2
68.99792	3.9
69.03441	2.6
69.07074	40.5
69.22233	5.0
69.22656	7.7
71.04993	2.1
72.08172	3.0
79.05502	13.4
81.07066	21.9
81.53139	1.2
82.07387	1.2
83.01345	2.6
83.04966	2.2
83.08614	7.1
85.06539	2.3
90.76496	1.3
91.05488	12.0
93.07046	16.2
95.04962	5.1
95.08620	17.7
97.06546	7.7
97.10188	2.1
99.04471	2.4
99.08097	3.1
103.05457	4.7
105.07034	16.5
107.08604	18.5
109.06509	4.6
109.10176	12.1
111.08123	2.3
111.11718	5.5
115.05461	1.7
117.07042	3.2
118.04195	3.9
119.04919	2.1
119.08584	13.9
121.06515	15.9
121.10152	19.7
123.08113	2.1
123.11691	4.9
125.09657	1.5
128.06261	2.3
130.07787	1.2
131.08569	4.8
133.06506	34.8
133.10130	8.8
135.08026	6.9
135.11691	15.7
137.05965	1.4
137.09648	2.3
137.13261	3.7
139.11192	4.0
142.07797	1.7
143.08548	2.9
144.05772	1.6
145.06514	3.7
145.10100	6.4
147.08063	3.5
147.11690	7.0
149.09639	2.4
149.13252	4.6
153.12766	1.5
155.08569	1.7
157.10077	1.9
159.08046	4.5
159.11719	6.6
161.05992	100.0
161.09595	2.9
161.13280	4.4
163.11198	1.7
165.12714	1.8
169.10081	2.6
171.11671	4.0
173.09679	1.8
173.13359	3.4
175.07603	1.6
175.11197	2.3
175.14841	11.8
177.05547	2.4
177.12772	1.9
177.16389	2.6
181.01334	8.4
181.10332	1.5
183.11682	2.2
185.09717	2.1
185.13257	1.9
187.07645	1.5
187.11229	2.3
187.14821	2.3
193.15877	3.1
199.02357	9.7
199.07684	1.5
199.14839	1.9
201.05536	2.0
201.12831	2.2
201.16415	1.8
203.07007	11.6
203.14337	1.6
205.04999	1.5
215.07095	1.9
217.12170	1.4
227.17796	1.7
233.08154	2.4
236.35173	1.3
241.75964	1.4
243.17735	1.5
247.06055	4.2
249.07582	2.1
255.10165	3.3
269.11700	1.7
283.13190	2.4
283.24326	2.0
285.11362	2.7
287.12701	1.7
311.12762	4.0
315.08798	8.5
325.17862	1.3
351.15921	2.5
367.19211	2.5
409.23694	2.6
419.18665	2.0
427.25085	2.7
487.28397	2.0
501.26199	2.4
505.29291	9.2
543.30957	4.9
561.32526	6.5
621.35437	1.5
639.36475	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	674.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.4
55.05509	11.4
57.03435	9.3
61.02922	3.4
65.03937	1.9
67.05508	27.6
69.03425	2.8
69.07065	8.1
71.04984	2.8
71.55142	3.1
73.02915	1.4
77.12511	1.3
79.05499	21.2
81.02988	2.3
81.03429	36.3
81.07064	32.8
83.01339	4.4
83.05003	8.7
83.08626	13.6
85.02921	7.3
85.06556	2.2
85.83915	1.5
89.18862	1.4
89.44330	1.1
91.03957	1.3
91.05484	22.0
93.07050	25.7
95.04986	14.1
95.08611	10.4
97.02882	4.2
97.06523	5.3
97.10144	3.4
105.07038	11.3
107.04984	7.5
107.08596	13.6
109.06517	4.5
109.10137	3.5
111.04474	1.4
111.08089	4.2
117.07011	6.1
119.08592	12.8
121.06489	2.9
121.10157	7.1
123.08070	4.9
123.11665	2.1
125.09672	1.4
129.07014	5.0
131.08566	8.2
133.06509	1.8
133.10147	7.5
135.08052	2.1
135.11688	8.0
139.07758	1.5
145.10132	9.2
147.11696	4.7
149.02402	2.7
149.09618	4.2
149.13219	5.2
157.10118	4.2
159.11659	3.3
163.11186	10.2
175.11174	4.5
181.12268	3.1
193.12245	12.2
195.13805	4.3
209.11719	2.6
211.13289	7.1
222.22485	1.4
227.12814	2.2
267.15945	47.9
269.17468	25.6
283.15414	43.5
285.16916	6.6
367.22641	5.4
385.23523	3.5
415.24698	1.9
433.25772	4.7
441.26349	2.7
459.27469	23.1
477.28513	100.0
478.28738	2.7
519.28278	1.6
674.34894	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	673.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	2.0
51.02378	1.5
53.03952	10.7
55.01860	6.2
55.05511	29.7
57.03448	9.3
57.07069	2.3
65.03935	6.6
67.05508	93.7
67.67064	1.6
69.03433	34.3
69.07069	25.3
71.04980	7.4
73.02925	1.6
79.05495	72.6
81.03418	29.4
81.07059	100.0
83.04983	12.0
83.08619	16.9
85.02891	4.4
85.06541	4.6
91.05486	58.8
93.07048	81.6
95.04980	19.4
95.08611	52.9
96.08920	2.3
97.02886	7.3
97.06532	10.1
97.10157	3.7
98.20744	5.0
99.04440	5.0
99.08070	2.5
103.05470	2.1
105.07040	44.0
107.04974	7.6
107.08598	39.8
108.08916	1.7
109.02885	5.1
109.06512	10.6
109.10172	19.1
111.04430	6.9
111.08094	5.5
113.06041	2.7
115.05408	2.6
117.07019	24.6
119.05025	2.2
119.08588	32.3
121.06496	5.6
121.10149	29.4
123.04427	2.0
123.08057	5.8
123.11716	7.9
125.05981	2.5
125.09613	1.8
127.03935	2.9
128.06242	3.9
129.07034	12.4
131.08578	34.0
133.06482	5.4
133.10139	29.0
135.08072	8.8
135.11696	16.9
137.09654	4.2
137.97449	1.6
139.96658	1.5
141.06973	4.7
142.07883	1.8
143.08542	11.5
145.06508	5.4
145.10135	17.3
147.08066	6.0
147.11693	17.1
149.09634	4.6
149.13268	16.9
151.07578	2.3
151.11143	2.1
155.08559	3.6
157.10170	13.9
159.08075	5.8
159.11697	18.6
161.05994	3.1
161.09596	4.1
161.13309	7.8
163.11211	3.4
163.14815	1.7
165.09053	2.0
165.12767	1.9
167.08565	4.1
169.10149	5.8
171.08073	3.4
171.11732	9.0
173.09662	3.2
173.13268	6.9
175.11224	5.1
175.14735	1.9
177.12778	6.0
177.71899	1.5
181.10234	2.4
183.11668	6.5
184.07361	2.6
185.09663	3.5
185.13277	6.5
187.07692	1.8
187.11139	3.8
187.14836	4.3
189.12679	3.1
191.14307	1.9
193.12311	1.9
195.11627	2.6
195.13791	10.5
197.09570	1.6
197.13260	3.0
199.10983	2.2
199.14842	4.1
201.12740	4.7
203.14368	2.7
209.13287	2.8
211.11229	1.6
211.14763	2.5
213.12790	2.0
213.14766	3.3
215.14485	2.2
217.15790	2.2
231.14043	1.8
233.15295	3.5
236.23846	1.7
259.20657	4.5
261.22198	3.4
267.15994	2.5
269.17465	17.3
273.18430	2.8
273.22034	1.7
275.16461	1.9
277.21729	4.5
283.20538	2.8
285.41333	1.7
289.21753	2.6
291.19626	6.5
291.23074	1.7
301.21490	7.1
313.21634	2.5
315.23233	2.5
325.21695	1.6
327.23196	2.5
335.25732	4.8
336.26169	2.4
339.18085	3.7
341.24802	2.3
345.14044	1.7
351.23132	7.4
369.24319	13.7
387.25189	8.4
389.26978	1.8
395.20615	5.5
405.26184	4.1
425.27213	1.7
443.28073	4.9
461.28958	4.9
470.09070	1.7
476.34375	2.8
529.38403	2.5
595.39044	1.9
599.39978	1.6
625.40814	2.0
637.40839	9.2
655.42072	11.3
673.43158	47.1
674.43402	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	3.0
53.03942	10.6
53.50988	1.5
55.01871	5.3
55.05514	27.7
55.52197	1.4
55.54074	1.4
57.03439	10.5
57.07072	3.2
65.03938	7.9
67.05511	91.2
69.03075	3.1
69.03436	41.6
69.07073	26.6
69.18578	5.3
69.18996	9.9
71.01341	1.4
71.05005	8.3
73.02896	2.0
77.03941	1.9
79.05500	70.8
81.03423	33.3
81.03862	3.2
81.07063	100.0
83.04977	13.1
83.08620	14.5
85.02916	5.8
85.06543	5.8
91.05485	66.1
93.07051	87.6
95.04979	17.5
95.08617	51.3
97.02896	7.3
97.06541	13.5
97.10190	5.6
99.04462	5.0
99.08093	4.2
105.04544	2.6
105.07037	43.7
107.04971	8.4
107.08602	49.5
107.09297	2.9
109.02900	7.9
109.06535	6.7
109.10155	18.3
111.04453	7.2
111.08105	7.4
115.05467	3.2
117.07024	22.3
119.08581	30.7
121.06515	8.8
121.10146	28.4
123.08095	7.6
123.11741	6.9
125.06037	1.9
125.09663	2.7
127.03915	4.8
128.06258	3.7
129.05499	1.8
129.07010	15.4
131.04961	2.7
131.08588	28.6
133.06503	5.1
133.10156	26.7
135.08066	6.4
135.11679	17.0
137.06030	1.8
137.09636	4.7
141.07005	3.8
142.07777	2.7
143.08583	10.8
145.06505	5.3
145.10141	19.5
147.08073	4.2
147.11690	16.7
149.09637	6.0
149.13268	17.9
151.07596	1.7
155.08575	5.3
157.10161	10.6
159.08086	3.9
159.11708	20.6
161.06064	3.2
161.09705	5.0
161.13289	7.2
163.11295	3.5
163.14923	1.6
165.09174	2.1
165.12773	5.6
167.08571	3.5
169.10194	5.1
171.08080	3.4
171.11687	10.8
173.09604	2.5
173.13249	8.6
175.07544	1.5
175.11224	2.9
175.14850	3.4
177.12791	8.3
181.10196	2.9
183.08049	1.7
183.11742	4.1
185.09723	4.2
185.13318	6.7
187.11214	3.0
187.14876	4.7
189.12816	2.9
195.11774	4.9
195.13869	11.7
197.13315	3.4
199.11212	2.5
199.14908	3.0
201.12881	3.4
201.16420	1.8
203.14359	2.7
205.12247	1.8
207.11754	1.8
207.13910	1.8
209.13283	2.0
211.14912	2.8
213.12929	2.0
213.14795	3.4
221.15222	1.7
225.12701	1.8
239.14388	2.4
247.17073	2.0
249.14960	3.0
251.16524	2.3
259.20697	4.8
261.22220	3.5
269.17493	21.9
273.22269	3.0
275.16589	1.8
277.21701	3.2
285.22299	1.7
289.21729	2.3
297.22171	1.5
301.21460	9.4
303.23227	2.6
315.22864	2.5
317.24820	1.7
319.22543	4.4
321.17236	2.6
323.23758	2.9
327.23282	3.6
333.24835	2.1
334.78372	1.7
335.25806	5.1
339.18192	5.2
341.24844	4.9
343.22922	2.1
345.24493	4.1
351.23215	8.0
369.24274	10.4
375.25491	1.7
387.25464	5.7
395.20773	5.7
403.24805	1.7
405.26450	1.9
443.27927	5.7
461.28964	10.0
529.39246	3.9
637.40955	9.6
655.32220	2.0
655.41827	8.7
673.43109	49.9
674.43494	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	673.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.4
53.03949	9.3
55.01873	5.7
55.05263	2.0
55.05516	27.5
55.30685	1.1
57.03445	7.6
57.07077	2.2
61.37643	1.2
65.03934	7.6
67.05510	88.5
69.03438	40.8
69.06721	2.1
69.07075	25.7
69.18772	13.9
70.29846	1.2
71.01345	2.5
71.04999	7.0
73.02933	1.6
79.05500	69.7
81.02956	0.9
81.03424	36.1
81.07066	100.0
83.04984	12.5
83.08626	18.3
84.74526	1.2
85.02940	6.4
85.06546	4.0
91.05490	65.7
93.07052	76.6
95.04978	19.6
95.08616	48.6
97.02893	8.1
97.06550	10.4
97.10185	4.3
98.21521	2.9
99.04488	4.5
99.08099	3.1
103.05483	2.9
105.04556	3.4
105.07037	45.2
107.04951	7.5
107.08604	41.2
109.02907	6.8
109.06541	8.6
109.10175	20.1
111.04449	6.6
111.08117	5.8
113.06023	1.7
113.09641	2.1
115.05492	4.5
116.06263	2.0
117.07036	21.1
119.04977	2.3
119.08589	30.0
119.35556	1.2
121.06546	8.1
121.10151	29.2
123.04433	1.4
123.08094	4.1
123.11716	8.7
125.06005	2.0
125.09662	3.2
127.03946	3.7
128.06245	4.5
129.05518	3.2
129.07025	16.1
130.07845	1.5
131.04939	2.9
131.08580	33.7
133.06490	7.2
133.10147	27.1
133.11086	1.9
135.08054	7.8
135.11697	16.6
135.25572	1.2
137.05962	2.3
137.09647	3.5
141.07022	4.4
142.07828	3.5
143.08577	14.3
145.06516	5.4
145.10120	19.5
147.08078	8.6
147.11688	18.1
149.09679	4.0
149.13281	19.8
151.07611	2.0
151.11217	2.5
155.08595	7.7
156.09389	1.8
157.06505	3.1
157.10178	8.4
159.08116	4.6
159.11710	19.9
161.06000	1.6
161.09564	6.1
161.13248	9.0
163.07629	1.6
163.11234	3.8
165.12753	3.0
165.73459	1.2
167.08582	3.3
169.06474	1.3
169.10193	5.4
170.10896	1.3
171.08101	2.9
171.11693	8.6
173.09668	4.9
173.13254	8.1
175.07538	1.6
175.11246	4.4
175.14818	2.3
177.12794	7.1
179.08685	1.9
181.08585	1.3
181.10158	4.3
183.06567	1.6
183.08076	1.9
183.11725	6.3
184.98473	1.3
185.09721	3.2
185.13303	3.5
187.11256	2.3
187.14885	3.9
189.12856	3.7
195.12056	2.3
195.13873	13.9
197.09648	1.6
197.13347	5.4
199.11192	3.0
199.14903	4.2
201.12871	3.1
203.14438	1.6
207.13858	1.3
209.13428	1.4
211.11333	1.8
211.14983	2.4
213.12900	2.0
213.14877	3.3
219.13937	1.8
223.15063	1.6
225.12732	2.2
231.13879	1.9
233.15361	3.0
241.19582	2.4
249.14980	2.6
251.16508	2.1
259.20667	3.8
261.14838	1.5
261.22208	3.6
267.16125	2.0
269.17511	19.5
273.14819	1.3
273.22339	2.7
275.16568	2.0
277.21747	2.3
283.20731	2.0
285.17313	1.8
289.21704	2.5
291.23480	1.7
297.22375	1.8
301.21506	8.4
303.16296	1.6
303.23306	1.9
309.22263	2.1
313.21594	1.9
315.23135	1.8
319.22748	2.6
321.17099	2.4
327.23160	2.6
335.25919	3.9
339.18143	5.6
341.24902	4.4
343.22845	1.7
345.24310	3.1
351.23257	6.1
353.24750	1.4
357.24112	1.5
363.25293	1.6
369.24347	10.1
371.25827	1.9
377.19781	1.5
387.25250	8.8
395.20877	6.1
405.26318	3.4
425.26697	1.9
443.27960	5.4
445.29636	1.4
461.28915	10.6
529.39227	3.6
553.53265	1.3
599.39417	1.9
637.41180	7.3
655.41772	11.4
673.43207	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.7
53.03704	1.5
53.03947	8.9
53.06296	1.6
55.01867	7.8
55.05515	27.4
57.03444	8.6
57.07070	3.3
59.04987	2.0
65.03938	6.1
67.05508	83.9
69.03430	45.4
69.07071	26.0
71.01353	3.2
71.04984	7.5
71.25507	3.6
79.05497	78.6
81.03428	34.3
81.07060	100.0
83.04982	13.7
83.08624	18.8
85.02895	7.1
85.06523	5.5
89.06039	2.0
91.05482	70.1
92.18280	1.8
93.07047	83.8
95.04971	18.4
95.08612	46.4
97.02890	5.2
97.06555	12.1
97.10176	3.8
99.04428	4.8
99.08083	4.1
103.03920	2.0
103.05417	1.8
105.04492	4.1
105.07036	48.8
107.04962	9.9
107.08598	44.8
108.89127	1.8
109.02870	7.1
109.06509	7.2
109.10154	18.4
111.04454	9.4
111.08117	8.4
112.69409	1.6
113.06015	1.6
115.05437	4.6
117.07028	27.7
119.08585	32.3
121.06509	8.2
121.10149	30.0
123.04456	3.2
123.08073	4.1
123.11699	7.2
127.03915	4.0
128.06192	4.8
129.05550	2.5
129.06995	13.7
130.07742	2.5
131.08569	32.3
133.06485	6.8
133.10153	30.3
135.08055	6.8
135.11700	22.0
137.09593	4.7
141.07004	6.3
142.07729	3.8
143.08585	9.7
145.06483	5.8
145.10155	18.5
147.08072	4.3
147.11696	19.5
149.09610	4.8
149.13260	16.2
151.11197	2.8
153.07048	2.2
155.08557	7.3
157.06432	1.9
157.10129	8.9
157.48972	1.8
159.08020	3.3
159.11684	24.8
161.05965	2.7
161.09634	4.4
161.13297	9.0
163.11145	3.2
163.14871	2.2
165.12779	3.0
167.08604	3.4
169.10143	7.6
171.08055	4.0
171.11685	7.3
173.09612	5.1
173.13240	10.9
175.11182	3.7
175.14819	2.4
177.09340	1.7
177.12744	7.2
181.10103	2.0
183.11673	5.0
185.09685	2.7
185.13281	6.8
187.11227	2.7
187.14828	4.1
189.12737	3.2
195.11777	3.8
195.13795	12.1
197.09729	2.4
197.13255	5.0
199.14841	3.8
203.14320	1.8
207.13785	2.1
209.13257	2.8
211.14732	2.9
213.12851	2.6
215.14355	2.0
225.16528	2.2
239.14148	2.0
257.15338	1.7
261.22061	2.8
263.20126	2.0
269.17514	18.2
273.22043	1.9
275.20111	1.7
277.21680	3.7
283.20465	3.8
287.16565	2.4
289.21625	2.8
301.21613	10.8
303.23132	3.7
313.21536	2.5
315.23090	2.7
319.22842	4.9
321.16879	1.8
323.23648	2.1
327.23364	2.7
335.25891	5.4
339.18008	3.3
341.25064	2.1
345.24243	3.0
351.23218	7.5
353.24973	2.2
355.38541	1.8
369.24310	15.1
387.25122	7.2
395.20355	4.7
405.26233	2.1
425.26996	1.9
443.27975	4.9
447.57697	1.6
461.28772	11.3
482.79105	2.1
529.38519	2.8
637.40784	7.8
655.42224	9.0
673.43170	47.1
674.43573	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	673.341
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
51.71716	0.3
52.70275	0.3
53.03953	0.4
54.49656	0.4
55.05515	1.1
56.05853	0.3
57.03445	2.1
57.81711	0.3
59.05000	0.7
61.02930	4.0
67.05510	7.1
69.03424	3.2
69.07073	1.1
71.04999	1.5
73.02921	3.0
79.05495	2.1
81.03423	3.8
81.07061	2.8
83.04995	0.7
83.08620	1.1
85.02911	4.3
87.04474	0.5
91.03967	2.0
91.05479	2.9
93.06551	0.4
93.07018	1.8
95.04985	1.4
95.08620	1.7
97.02905	3.5
97.06552	0.5
98.21528	1.0
99.04448	0.9
101.02395	1.2
105.07050	1.7
107.08629	1.6
109.02882	0.7
109.06562	0.6
109.10163	5.4
111.04424	0.5
111.08091	0.8
116.45782	0.3
119.08588	1.9
121.06507	0.6
121.09409	0.3
121.10143	2.1
127.03940	1.9
129.07033	1.1
131.08585	1.3
133.10155	1.0
145.05042	0.4
145.10243	0.6
147.11694	1.2
149.09666	0.8
155.10643	0.8
157.10159	1.2
173.11729	1.9
175.11197	0.9
179.19708	0.4
179.64850	0.3
193.12312	1.4
195.09962	0.5
197.15298	0.4
203.05275	0.4
211.13281	0.5
225.14967	0.4
229.14407	1.3
243.08440	1.9
251.12799	0.6
267.16055	1.0
283.15186	3.2
314.98758	0.4
339.17877	0.8
392.45422	0.4
413.17856	9.1
413.23108	0.6
501.23007	9.5
511.28769	0.7
567.24274	0.4
584.17847	0.4
617.16516	0.5
645.98010	0.5
673.34064	100.0
674.34204	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	673.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
54.05457	0.5
55.01873	0.8
55.05523	2.7
56.38956	0.4
57.03450	3.9
59.05008	1.2
61.02930	4.6
62.09633	0.5
65.03937	0.7
67.05172	1.0
67.05509	12.9
69.03437	4.1
69.07065	1.4
71.01331	0.6
71.04992	2.4
71.55754	1.0
73.02914	4.2
74.35425	0.5
79.05501	5.1
81.03425	8.4
81.07064	5.7
83.04989	2.8
83.08630	3.0
85.02906	8.3
85.06563	1.1
89.89684	0.5
91.03967	2.6
91.05477	4.5
93.07039	3.4
93.13699	0.5
95.04985	3.1
95.08595	2.6
97.02901	4.9
97.06502	1.0
99.04476	1.5
101.02390	1.4
103.03953	1.0
103.05486	0.7
105.07054	3.6
107.04958	2.1
107.08596	1.8
109.02906	2.4
109.06511	1.0
109.10162	10.7
111.04481	1.1
111.08105	1.5
115.03952	0.6
119.08596	2.9
121.06555	0.7
121.10167	1.8
123.04437	0.6
123.11751	0.8
125.09618	0.6
127.03941	1.5
129.05525	1.1
129.07021	1.8
131.08580	1.7
133.10156	1.8
135.04477	1.0
135.11707	0.7
137.09630	0.8
142.59575	0.5
145.10144	0.8
147.08078	0.7
147.11699	1.9
149.09639	2.1
155.10695	1.0
157.10178	1.9
162.59364	0.4
163.11194	0.8
165.09125	0.7
173.11734	3.0
175.11220	1.7
193.12241	3.9
211.13316	4.8
214.80214	0.5
225.14778	0.8
229.14359	6.2
243.08450	2.1
267.09216	0.8
267.16028	2.4
283.15198	2.7
285.17096	2.2
339.18100	0.7
413.17908	10.4
421.25992	1.0
439.27051	7.0
459.74243	0.7
501.23160	9.2
598.18774	0.5
618.56299	0.7
655.34454	0.7
673.34100	100.0
674.34717	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	672.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28582	3.0
55.05495	10.4
57.03443	5.3
57.07078	25.6
59.06115	2.2
60.06422	2.2
64.00166	2.0
67.05513	34.3
69.07073	19.7
70.12630	9.2
71.04977	6.7
71.08624	20.0
79.05505	15.6
81.07064	33.1
83.08631	12.2
85.10175	9.7
89.06023	5.8
91.05482	12.9
93.07059	19.9
95.08622	24.1
97.06534	8.4
97.10153	11.5
105.07036	5.3
107.08595	13.0
109.06528	2.5
109.09580	2.0
109.10173	18.9
111.08056	4.2
117.07017	4.4
119.08583	5.6
121.10158	5.7
123.11715	5.0
131.08574	7.3
133.10146	7.9
137.15959	2.2
145.10120	6.7
147.11678	2.4
149.09619	3.0
159.11684	4.9
160.42342	2.0
163.11166	3.8
184.20396	2.3
227.12846	11.4
229.14452	13.8
239.23724	2.5
241.66508	2.3
257.18890	5.1
275.20053	9.4
303.31470	2.4
313.27371	26.0
321.15659	2.2
344.55496	2.9
349.23569	8.2
381.26788	2.9
467.37155	10.3
507.40527	100.0
508.41031	3.4
587.46521	9.9
589.59143	2.9
619.49048	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	672.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.1
57.03449	3.5
57.07081	37.5
58.76744	0.6
61.02644	0.9
61.02933	11.6
61.72551	0.7
67.05508	9.6
69.03436	1.5
69.07076	7.3
71.05001	0.7
71.08639	30.4
73.02909	4.3
75.04469	1.7
79.05489	1.6
81.03413	1.4
81.07065	14.1
83.04997	0.9
83.08627	11.7
85.02432	1.3
85.02912	16.9
85.10187	16.7
89.06023	1.3
91.03963	11.8
91.05495	1.2
93.07040	1.4
95.08614	24.2
97.02913	7.8
97.10178	5.4
98.20731	1.5
99.11739	0.9
103.07591	0.9
105.07064	0.8
109.02843	0.9
109.10166	11.8
111.11717	1.8
113.13329	0.7
123.11728	4.5
125.13242	1.0
127.03927	4.7
131.08617	0.8
136.33629	0.7
137.13272	2.7
145.04970	6.3
145.29919	0.6
151.14821	0.8
163.06047	7.8
165.16408	0.8
176.19424	0.6
193.97716	0.6
221.22676	1.6
239.23708	24.3
257.24796	4.3
258.90982	0.8
291.19492	0.8
313.27386	100.0
314.27695	2.8
331.28442	25.2
332.28909	0.9
475.32553	2.9
583.71973	0.7
605.05994	0.6
648.39807	0.7
651.94385	0.8
654.49640	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.05516	5.8
57.03444	4.8
57.07083	36.6
61.02649	0.9
61.02934	13.8
61.16446	0.6
65.03950	0.6
67.05173	0.8
67.05512	12.6
69.03419	2.5
69.07071	7.2
71.04984	0.9
71.08639	27.9
71.21358	0.6
71.55858	0.8
72.44018	0.5
73.02924	5.7
75.04478	2.3
79.05504	3.1
81.03416	2.5
81.07063	18.6
82.07382	0.9
83.04968	0.9
83.08628	12.4
85.02429	1.2
85.02916	16.8
85.06555	0.9
85.09719	1.1
85.10192	14.6
89.05981	0.7
91.03963	13.1
91.05478	3.0
91.97851	0.6
93.07047	3.1
94.07423	0.6
95.05006	3.0
95.08616	25.9
97.02895	8.3
97.10181	7.0
99.04440	0.9
99.11752	1.1
105.07030	2.1
107.04981	1.0
107.08604	1.4
108.16071	0.7
109.02898	1.2
109.10168	10.8
111.04457	0.7
111.11746	1.1
117.07008	1.4
119.08572	1.6
121.02859	0.6
121.10145	0.9
123.11720	4.6
125.13266	1.4
127.03939	5.4
129.06935	0.7
129.69891	0.7
131.08580	1.1
133.10115	1.2
135.11736	1.0
137.13254	1.9
145.04970	7.7
145.10155	1.2
147.08092	0.6
149.13335	0.7
151.14886	1.0
163.06044	12.9
163.07394	1.1
165.16124	0.7
221.22710	1.2
239.23705	23.1
257.24789	3.8
273.14859	0.7
298.27423	0.7
301.14597	0.7
302.14737	0.7
313.27393	100.0
314.27740	2.6
331.28442	30.9
332.28696	0.8
400.85031	0.7
473.63995	0.7
636.39917	1.4
654.41266	1.2
672.41437	3.2
704.06256	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26919	2.5
51.02374	3.0
53.03962	15.2
54.56426	2.3
55.01868	10.0
55.05273	2.5
55.05514	43.3
57.03441	14.5
57.07079	5.7
65.03934	8.7
66.65831	2.7
66.77744	2.7
67.05509	94.4
69.03435	14.0
69.07069	22.5
70.12228	10.3
71.04999	6.2
79.05496	78.4
81.03426	68.5
81.06584	4.0
81.07059	78.0
81.12534	2.5
83.04981	7.5
83.08633	19.6
85.02902	5.5
85.06512	6.0
89.06062	3.4
91.05489	86.2
93.06486	3.4
93.07053	74.2
95.04979	100.0
95.08607	62.7
96.05292	2.9
97.02882	8.0
97.06577	3.9
97.10189	17.5
97.23525	2.7
99.04440	2.8
99.08090	3.4
103.05454	7.9
105.03399	3.3
105.07039	60.6
105.08691	2.5
107.04961	28.2
107.08604	36.7
109.02873	3.8
109.06526	13.9
109.10178	20.7
111.04444	14.8
111.08059	5.6
115.05457	9.2
117.07020	29.4
119.04927	12.6
119.08592	38.4
121.02861	12.2
121.06499	22.0
121.10149	25.9
123.04413	10.4
123.08057	9.9
123.11664	4.4
124.93874	2.6
125.06016	3.1
125.09625	11.2
127.03962	3.7
128.06236	6.9
129.07010	26.7
131.04948	12.8
131.08588	36.3
133.06497	16.1
133.10138	27.2
135.04436	5.9
135.08051	16.3
135.11693	15.3
137.02365	6.3
137.05972	7.6
137.09618	4.6
139.03889	4.2
141.06985	9.2
142.07858	3.2
143.08551	21.0
145.06509	18.4
145.10136	34.4
147.04451	13.4
147.08060	10.4
147.11694	14.1
149.05977	11.7
149.09605	7.7
149.13248	5.2
151.11227	3.7
153.07008	2.8
155.08565	14.0
157.05054	3.4
157.06516	8.6
157.10156	16.5
159.08105	13.1
159.11714	18.0
160.05249	3.3
161.05980	20.7
161.09621	11.6
161.13229	6.3
163.07553	4.7
163.11209	15.4
167.08598	9.5
169.10129	13.5
171.08063	11.6
171.11650	13.4
173.06000	11.5
173.09642	7.4
173.13249	5.9
174.06837	13.6
175.07701	5.9
175.11188	6.0
177.12723	5.3
179.08546	3.5
180.09494	2.6
181.06483	3.9
181.10059	6.5
183.08058	5.8
183.11688	11.3
185.09570	7.7
185.13300	7.0
187.07542	10.1
187.11169	8.3
189.05441	11.7
189.09427	2.9
189.11221	11.9
189.12746	5.1
191.03909	2.6
193.10167	7.0
193.12196	4.2
195.11671	6.3
197.09659	6.0
197.13312	4.9
199.11185	4.0
199.14850	3.5
201.12791	4.2
203.10562	3.7
203.14398	3.9
205.10069	3.2
205.12279	7.9
207.11708	4.6
207.13727	3.7
209.09723	5.4
209.13277	6.0
211.11313	3.9
213.12784	4.8
215.08635	2.6
215.14389	4.1
219.11800	3.5
221.13309	3.3
223.13252	8.2
225.12639	3.5
235.15063	3.4
241.12318	3.8
255.13879	5.2
257.15390	5.9
257.18903	2.7
259.13318	4.7
259.20575	8.0
273.14874	44.6
277.14508	4.5
283.13290	7.3
285.14859	4.8
289.14407	7.8
291.15961	3.5
301.14352	45.3
303.15924	23.0
313.50912	3.0
319.15515	17.2
333.24237	10.1
335.25854	33.5
337.21759	3.0
347.18518	8.6
351.22766	2.9
375.18005	10.5
377.19775	5.2
391.26517	4.6
393.18939	12.1
428.50629	3.2
543.34802	5.6
561.35681	5.5
579.36639	5.2
581.38055	4.7
605.38593	5.2
611.40381	3.0
617.38129	10.1
623.39514	15.6
635.39539	46.5
653.40723	28.6
671.41461	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.9
55.01868	9.0
55.05513	43.2
56.96555	6.5
57.03437	16.1
57.13563	5.0
61.02906	8.8
63.56069	4.8
64.19971	5.0
67.05501	78.9
69.03426	24.7
69.07063	22.8
71.04987	12.9
71.55146	8.3
79.05498	54.4
81.03419	52.9
81.07069	60.0
83.04984	17.1
83.08627	32.9
84.08150	16.7
85.02889	28.0
85.06552	8.8
91.05486	37.5
93.07044	47.7
94.37614	5.6
95.04951	21.7
95.08596	42.1
97.02888	22.3
97.06538	11.2
97.10175	32.9
105.07041	28.7
107.04969	28.8
107.08606	32.4
109.02850	8.0
109.06507	17.1
109.10158	40.2
110.10513	7.6
110.15668	5.3
117.07037	11.3
119.08581	26.9
121.06506	18.4
121.10133	23.4
123.04420	8.6
123.08013	6.7
123.11687	6.6
125.09629	22.5
127.03929	15.5
129.07010	13.6
131.08569	22.7
133.06508	6.1
133.10126	25.8
135.08076	9.2
135.11726	13.8
139.11157	5.5
143.08577	9.0
145.06462	11.5
145.10109	14.7
147.04405	10.4
147.08128	6.4
147.11673	18.3
147.14922	5.7
149.09622	9.1
151.07501	5.8
155.08580	6.5
157.10127	6.3
159.08044	6.8
159.11678	8.9
161.05931	7.7
161.09663	8.8
163.03934	6.7
163.11220	14.8
163.27190	5.8
165.09145	13.4
167.07031	6.2
167.10780	6.0
169.10016	6.4
171.08083	6.3
173.09633	7.3
173.13231	6.0
181.10219	8.0
187.11212	7.0
189.11218	17.4
193.12286	15.1
209.11734	6.9
211.13289	11.7
227.12814	12.7
229.14365	16.1
230.14783	6.7
267.09216	7.5
267.15961	12.3
273.14792	10.8
279.96558	5.5
303.05176	6.6
309.08527	13.3
367.22672	24.2
377.10806	6.5
384.24966	6.9
385.23740	56.0
403.24811	14.9
417.14603	6.8
441.26279	14.8
459.27490	100.0
477.28421	77.3
478.27957	6.3
491.29767	8.1
639.24432	33.1
671.25952	71.2
671.36340	21.8
672.26208	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	671.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09238	2.8
53.03940	8.8
55.01867	7.9
55.05299	2.7
55.05511	29.1
56.96582	2.8
57.03434	9.5
59.05013	3.2
61.02919	2.8
67.05509	37.7
69.03439	14.0
69.07062	11.5
70.23933	8.6
71.04990	8.6
71.99707	3.2
79.05495	41.6
81.02976	4.5
81.03423	48.1
81.07065	34.9
83.04993	13.0
83.08643	20.3
85.02902	9.9
91.05491	25.7
93.07049	31.9
95.04964	27.8
95.08627	14.8
97.02888	10.1
97.06526	4.7
97.10181	26.5
99.04476	6.7
105.07050	20.9
107.04961	19.9
107.08604	18.4
109.02892	6.6
109.06554	15.1
109.10146	11.8
111.04427	6.1
111.08063	4.8
117.07000	9.3
119.08562	15.0
121.06495	14.4
121.10136	17.5
123.08076	6.3
125.09633	25.2
127.03910	5.7
129.05455	4.0
129.06966	13.4
131.08609	16.3
133.06503	5.0
133.10124	10.8
135.08044	5.6
135.11671	4.2
143.08594	6.3
145.06514	12.4
145.10095	8.5
147.04411	3.2
147.08015	6.8
147.11667	7.8
149.09619	7.8
151.07558	3.7
153.09117	5.4
155.08562	4.6
157.10170	6.5
159.07965	2.7
161.05943	3.1
161.13301	3.1
163.11226	7.3
169.10214	2.7
171.10255	3.3
171.11699	6.4
173.04402	4.7
173.09633	4.0
175.11195	8.0
185.09512	4.5
187.11252	3.0
189.11215	11.2
189.12750	4.7
193.12265	18.1
211.13290	10.1
215.14407	5.7
217.12236	2.9
219.13799	3.2
227.12752	7.9
229.14217	3.2
231.13814	3.2
233.15456	10.2
249.14859	4.5
260.39478	3.4
267.15970	24.2
273.14819	7.3
275.16266	3.1
285.16873	3.7
293.17615	2.8
339.23312	3.7
349.21460	5.1
357.24258	4.2
367.22888	27.9
385.23755	44.0
403.24622	16.1
441.26593	14.4
459.27466	100.0
477.28537	81.0
478.28854	3.7
491.30002	18.7
509.31085	7.3
647.64026	3.2
653.35864	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	671.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
56.96570	0.4
65.03940	3.1
67.05527	0.3
69.31199	0.3
71.55116	0.4
79.05492	0.5
81.07046	0.7
91.05482	23.7
93.07010	0.4
105.07034	0.3
119.04945	46.6
120.05276	0.4
131.08659	0.3
147.04410	96.4
148.04723	0.6
149.02332	2.3
150.02696	0.5
157.06529	0.3
161.06006	1.1
167.03404	3.2
168.03743	0.6
179.08589	0.4
187.02444	0.3
189.04103	0.4
199.04434	0.4
203.07149	0.3
205.03476	6.1
205.06384	1.4
207.05165	0.6
207.08073	1.0
211.04532	2.9
219.07991	0.4
223.04535	0.7
224.53023	0.3
225.06058	1.0
225.17241	0.3
228.05234	0.4
229.05486	0.3
231.05269	0.7
233.06110	1.6
235.04456	0.7
251.07501	0.4
253.07338	0.4
255.05110	1.0
259.08069	0.3
261.06107	0.5
265.07132	0.6
267.08304	0.3
269.08078	1.1
270.08377	1.0
271.08231	1.1
273.06161	1.1
275.05380	0.4
279.05075	0.8
281.06583	1.6
283.08231	0.6
287.07733	0.5
293.06610	1.8
297.06088	5.5
299.07590	0.9
307.04547	1.1
309.06116	0.9
311.07635	21.0
312.08008	0.4
313.05551	0.6
314.06293	0.9
315.07080	2.7
319.08121	0.3
323.07635	2.2
325.05524	1.5
325.14313	0.6
327.06985	2.2
329.08701	16.5
330.09109	0.4
331.20752	0.4
333.08557	0.6
334.09280	1.6
341.08777	0.6
345.09756	6.2
347.09772	4.9
352.10342	1.5
361.08734	0.5
363.10980	2.0
369.11694	0.5
379.10327	0.8
381.11832	7.8
382.12482	0.4
395.13742	0.7
399.12863	1.9
404.13330	0.7
419.09610	1.3
439.10315	1.7
443.09637	1.1
445.07449	0.4
455.09634	1.0
457.11298	8.1
469.15564	0.6
480.12778	1.2
487.16055	1.1
495.12976	1.5
509.14566	4.1
513.14148	2.6
531.14935	0.6
532.16284	0.6
547.12518	5.2
559.12433	0.5
561.14313	0.3
565.13629	0.7
573.13849	0.9
577.13257	0.6
615.18628	100.0
616.18872	4.9
633.19733	7.1
634.18738	0.5
636.15704	0.4
656.21271	1.5
671.24664	3.1
671.41675	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13859	0.6
55.01860	0.7
55.05509	0.8
57.03421	1.5
57.07058	2.9
61.02940	5.2
63.28211	0.8
64.17613	0.7
66.00861	0.7
67.05506	6.6
67.36660	0.6
69.03412	1.9
69.07065	1.5
71.01343	0.9
71.08607	1.5
71.55619	0.7
73.02911	3.4
78.86489	0.6
81.03409	1.3
81.07042	2.9
83.05004	0.8
83.08601	1.5
85.02905	3.7
85.10173	0.9
91.03962	3.4
91.05492	0.9
93.07041	0.8
95.08582	2.2
97.02892	3.4
99.04411	0.8
101.02367	1.6
105.07013	0.7
109.02941	1.0
109.10176	7.9
119.08621	0.7
127.03909	1.7
128.37996	0.6
155.10719	0.8
166.33978	0.7
169.22502	0.7
173.11732	1.7
185.04106	1.0
195.09953	0.9
243.08333	2.6
313.27383	1.4
355.24399	1.4
365.35699	0.9
413.12393	0.9
413.17847	10.5
450.71646	0.8
497.30655	5.4
529.11609	0.7
669.41199	100.0
670.41803	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	669.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66624	0.5
55.05504	0.8
66.97886	0.4
67.05504	1.8
69.21031	2.0
69.21455	2.3
79.05498	1.8
80.10349	0.5
81.07069	2.3
83.08662	0.5
91.05470	0.9
93.07046	1.6
95.08620	1.7
98.21527	1.1
105.07050	0.9
109.10148	1.0
119.08585	0.8
122.68520	0.5
131.08504	0.8
288.09085	0.6
295.85229	0.4
317.20874	2.3
319.22571	1.7
334.09464	0.5
337.23425	1.0
355.24588	3.0
373.23596	1.6
375.25000	1.2
396.75903	0.5
451.96866	0.5
669.47742	100.0
670.47876	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	667.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
56.45068	0.9
64.61915	0.7
67.05514	2.5
69.07080	1.5
74.98108	0.8
79.05488	2.2
81.07054	3.4
91.05492	1.7
93.07052	2.5
95.08590	1.7
107.08632	1.6
121.10161	0.9
159.11736	0.9
171.46619	0.8
317.20871	9.7
317.24194	1.2
373.23569	4.6
461.23041	1.1
479.24054	1.6
526.46014	1.0
569.80865	1.0
649.34882	0.9
667.45465	100.0
668.46075	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	668.386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01876	1.4
55.05519	8.9
57.03440	15.4
59.05000	4.4
61.02930	1.3
65.03931	1.9
67.05510	79.8
69.03436	2.8
69.07074	4.7
69.94085	5.4
71.04991	4.3
79.05500	9.0
81.03424	67.0
81.07063	18.3
83.04987	2.8
83.08624	16.4
85.02903	4.3
85.06551	3.7
87.04492	1.2
91.05481	14.2
93.07054	8.2
95.04989	18.0
95.08614	8.9
97.02906	2.2
97.06535	1.1
97.10190	1.9
105.07032	8.4
107.04951	4.5
107.08589	5.0
109.06538	2.4
109.10166	82.4
111.08097	9.3
117.07026	1.6
117.39312	0.9
119.04932	2.1
119.08580	13.0
121.06503	2.7
121.10143	4.0
123.04508	1.3
123.21259	1.0
127.65779	1.0
129.07005	7.3
131.08533	5.6
133.06525	3.0
133.10141	5.6
137.05975	1.2
137.09621	4.5
142.07733	1.8
143.08531	1.2
145.10143	1.6
147.04341	1.2
147.08060	2.3
147.11746	6.7
149.09616	3.9
155.10675	6.2
157.10106	8.1
163.11189	1.9
165.12720	1.3
173.11751	23.4
175.11197	9.2
193.12265	23.1
193.14070	1.2
199.11371	1.3
211.13333	1.5
229.14375	94.5
267.15936	87.5
268.16281	1.9
268.52158	1.1
301.07108	1.9
329.21185	3.3
375.18857	1.1
403.24826	12.2
421.25888	100.0
422.26096	3.0
463.27545	2.2
529.28082	1.6
547.28448	2.0
668.34314	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	667.3305
Annotation	strychnogucine B
Peak:m/z	Relative Intensity
53.03928	0.4
55.05516	1.4
57.03442	1.9
61.02932	3.7
67.05515	4.0
69.03438	2.5
69.07063	1.0
71.01359	0.9
71.04975	0.8
73.02921	2.9
75.50975	0.3
75.68552	0.3
79.05502	3.8
81.03426	3.0
81.07062	2.5
83.04986	1.2
83.08617	1.0
85.02919	5.0
85.06558	0.4
87.04486	0.4
91.03973	2.2
91.05470	2.5
93.07063	3.8
95.04990	1.6
95.08624	1.2
97.02898	3.4
97.06548	1.2
97.10184	0.9
99.04480	0.7
101.02395	1.4
103.03951	0.7
105.07038	1.4
107.08596	2.8
109.02914	0.9
109.10159	0.9
111.08062	0.4
117.07027	0.7
119.08604	1.4
121.10168	1.1
127.03925	1.5
131.08592	0.7
133.10126	0.6
135.08142	0.4
135.11717	4.2
145.10136	1.1
147.11797	0.4
149.05962	0.3
149.09630	0.5
157.10173	0.4
160.88257	0.4
163.11127	0.6
173.70314	0.4
181.12299	0.7
193.12244	0.9
203.05295	0.5
221.11545	0.8
243.08421	1.7
251.12576	1.0
255.15862	0.7
259.08057	0.3
277.14090	0.4
307.15149	0.4
439.19418	9.5
439.25168	0.7
469.20462	3.7
505.27603	0.6
667.33020	100.0
668.33350	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	667.298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40492	0.3
67.05513	0.4
69.07073	1.3
69.39416	1.6
69.39842	1.2
72.19380	0.4
91.05444	0.4
93.07071	0.5
94.06565	0.9
95.04971	0.4
95.08637	0.4
108.08159	0.4
110.37654	0.3
120.04436	0.6
120.08101	0.6
122.06031	2.6
134.06041	0.6
136.07590	6.9
138.05498	1.0
140.07065	4.3
144.04497	0.4
144.08066	0.5
146.06053	1.4
146.09653	1.0
148.07602	1.3
152.07097	0.4
154.04999	0.5
162.09004	0.3
164.07086	11.9
166.08658	4.7
172.03941	2.2
174.05540	0.9
176.07095	2.3
182.81305	0.3
190.05084	0.5
204.06558	3.4
206.08165	1.9
210.11581	1.1
211.12227	0.4
218.08211	0.4
220.10184	0.4
221.10808	0.7
222.09479	0.4
222.11531	1.2
223.12341	1.5
224.12956	0.7
225.10341	0.7
235.08662	0.8
235.12312	1.5
236.13019	0.5
237.10249	4.3
237.13928	1.3
238.10934	1.6
239.11769	2.9
247.12297	0.5
248.09430	2.6
249.10233	5.0
250.10991	3.5
251.11806	6.1
252.12552	0.6
253.09656	0.4
253.13397	1.1
255.11163	0.4
259.10785	0.4
261.12625	0.4
262.11081	0.5
263.11823	15.1
264.08987	0.8
264.12607	2.9
265.09857	3.5
265.13422	16.2
266.14072	0.9
267.11411	1.3
269.12955	1.6
271.14536	0.7
275.11850	0.7
277.09793	1.3
278.01340	0.4
278.10400	1.1
279.11288	21.1
280.12018	1.7
281.12851	1.2
282.13663	1.4
283.11090	0.4
283.14438	0.6
285.12402	0.4
287.10715	0.4
287.13708	1.8
291.11261	5.4
292.12167	1.3
293.12857	4.2
294.13605	1.3
295.10864	1.8
296.11661	1.0
297.12360	10.9
298.13071	1.6
299.14154	0.4
303.13504	0.4
305.15158	0.3
307.10928	0.5
309.12360	37.1
310.13113	11.8
311.13910	8.0
312.14758	0.8
313.08820	0.4
313.11975	1.6
313.15359	0.5
319.10834	3.8
321.12357	1.1
325.11926	0.6
327.13455	0.6
337.11850	30.0
338.12598	11.8
339.13431	6.4
340.13928	0.4
342.15921	0.5
345.14539	2.5
351.13406	0.6
369.14490	40.8
370.15201	7.1
371.16086	6.6
374.15131	0.5
398.15439	0.8
399.15866	1.1
400.16638	1.0
401.13687	0.5
416.16229	0.5
417.17157	0.4
418.17502	0.4
450.20245	1.1
452.21933	6.7
458.17316	1.1
459.17844	0.6
476.18405	0.8
478.19785	7.3
480.21399	0.5
494.19418	1.1
496.20840	0.6
510.22409	100.0
511.22733	4.2
575.25128	1.2
599.24969	4.8
607.27185	0.5
617.26349	1.7
618.24438	0.4
631.27594	1.3
632.52917	0.5
635.27258	4.2
649.28040	0.4
667.29730	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	667.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79517	0.5
58.58234	0.7
69.07070	1.1
69.72815	1.4
69.73219	2.4
93.15910	0.6
94.06568	2.2
106.06554	2.2
108.08096	0.9
120.04511	0.8
120.08115	0.7
122.06030	5.2
134.06055	0.8
136.07590	10.4
140.07060	10.5
146.05981	2.3
146.09647	1.4
148.07628	3.4
150.20082	0.6
152.07059	1.8
164.07083	20.7
166.08646	16.6
172.03954	3.4
174.05553	3.5
176.07085	5.4
190.04918	0.7
204.06499	3.9
206.08162	0.8
208.09766	1.1
210.11465	1.4
211.08881	1.0
211.12347	1.8
221.10670	1.1
222.11632	1.5
223.12288	2.5
224.13078	1.2
225.10373	1.2
225.13928	1.0
227.11725	0.8
235.08672	1.4
235.12286	2.2
236.09389	1.2
236.13033	1.4
237.10239	6.0
237.13930	3.0
238.11069	3.1
239.11768	7.8
240.12491	0.8
247.08499	0.8
248.09479	2.6
249.10187	5.6
250.11078	5.2
251.11816	10.4
252.12561	1.3
253.13371	3.0
261.12399	2.1
263.08966	1.4
263.11804	18.8
264.08838	0.8
264.12589	3.4
265.09802	7.5
265.13376	31.9
266.10736	0.8
266.14035	2.1
267.11270	2.1
268.12186	0.9
269.12860	2.4
271.10687	0.8
271.14420	1.8
275.11771	0.8
277.09714	7.1
278.10565	1.8
279.11298	41.8
280.12057	3.8
281.12784	1.3
282.13599	1.1
283.10922	0.7
283.14517	2.1
285.12183	1.0
286.30624	0.7
287.13913	4.3
291.11313	7.9
292.12009	2.7
293.09607	1.1
293.12778	8.3
294.13629	2.6
295.10831	5.0
295.13947	1.0
296.11542	1.9
297.12338	21.5
298.13052	2.6
299.13797	0.8
305.15134	0.8
309.12350	49.2
310.13132	22.5
311.13898	24.5
312.14813	3.9
313.11847	5.5
313.15451	2.1
319.10809	7.8
321.12308	3.2
323.16028	1.3
324.11072	0.9
325.11862	1.1
331.12817	0.8
337.11835	100.0
338.12631	28.1
339.13464	18.2
345.14337	1.2
357.14655	0.8
358.15970	0.9
369.14499	24.9
370.15137	5.6
371.16101	11.5
372.16885	0.8
376.16391	0.9
398.15057	1.3
399.15768	0.9
400.16495	1.3
401.13300	4.1
416.15842	1.1
417.17108	1.1
434.17239	2.0
438.19904	0.8
439.19260	0.8
440.15927	0.7
450.20380	1.2
452.21872	36.3
453.22000	1.5
458.17020	2.0
460.18979	0.8
476.18463	3.6
478.19766	46.8
479.19705	1.0
494.19257	3.5
495.20215	0.9
496.20932	5.1
510.22433	43.3
511.22992	0.8
549.27600	0.7
575.24976	2.9
599.25092	6.9
617.26056	5.1
635.27234	15.2
667.29614	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	667.298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44283	0.4
55.80194	0.4
63.80019	0.5
63.82613	0.4
67.05511	0.7
69.07062	0.6
69.36752	1.8
69.37185	1.9
69.70410	0.4
70.06564	0.5
85.02883	0.5
87.37350	0.5
94.06579	0.7
98.20820	1.2
106.06573	0.8
108.08066	0.6
120.08124	0.5
122.06077	2.4
122.06813	0.5
134.06036	0.6
136.07581	7.0
138.05498	1.1
140.07069	4.3
144.04498	0.6
146.06015	1.9
146.09645	1.1
148.07567	1.4
152.07106	0.6
159.80679	0.5
162.05498	0.7
164.07071	13.4
166.08643	5.3
172.03996	1.3
174.05539	1.3
176.07097	1.6
190.04964	0.9
204.06561	2.5
206.08176	1.6
208.09831	0.6
209.10867	0.7
210.11526	2.2
219.23567	0.5
221.10724	0.7
222.11594	1.3
223.12323	1.5
224.13104	1.0
225.10110	0.6
225.13936	0.7
235.08510	1.2
235.12338	1.9
237.10155	4.8
237.13914	1.3
238.10966	2.1
239.11792	4.5
247.12349	1.1
248.09465	1.7
249.10181	3.9
250.11032	4.2
251.11823	6.6
252.12589	0.8
253.13358	1.7
255.11415	0.6
261.12381	0.7
262.11072	1.1
263.09039	0.9
263.11816	16.6
264.09888	0.4
264.12573	3.1
265.09818	3.7
265.13409	16.6
266.14148	0.6
267.11316	1.3
269.12976	2.1
271.10764	0.6
271.14359	1.0
274.94336	0.5
275.11569	0.5
277.09756	2.1
278.10507	1.6
279.11285	19.8
279.14392	0.9
280.11996	1.8
281.12915	1.6
282.13571	1.8
283.11160	0.8
283.14413	1.2
284.11545	0.6
287.05469	2.0
287.13913	1.4
291.11301	6.0
292.11914	0.9
293.12814	4.3
294.13629	1.0
295.10886	1.8
296.11584	1.2
297.12344	13.3
298.13083	1.3
301.12314	0.5
309.12329	41.2
310.13135	12.9
310.15891	0.4
311.10611	0.9
311.13901	7.4
312.14810	0.5
313.11844	1.6
313.15488	0.7
319.10828	4.2
321.12329	1.3
331.12997	0.8
337.11835	33.7
338.08588	0.8
338.12604	12.7
339.13458	7.5
340.13977	0.8
345.14432	2.5
351.13495	0.5
369.14465	40.9
370.15240	7.9
371.15997	6.4
399.16055	0.8
400.16684	1.1
414.18536	0.5
450.20258	1.1
452.21738	7.1
458.17099	1.0
459.18112	0.6
476.18225	1.2
478.19778	7.7
494.19211	1.4
510.22388	100.0
511.22885	3.1
573.27820	0.6
575.25092	1.6
599.25171	5.2
617.25989	1.9
631.27374	0.9
635.27374	4.3
667.29742	2.1
687.41589	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	25.0
55.05746	5.4
57.03434	6.3
57.07061	12.6
58.06588	3.9
67.05185	6.8
67.05511	100.0
69.07073	28.3
71.05003	4.6
71.08624	9.8
79.05492	47.6
79.50838	4.0
81.07066	78.8
83.05003	5.4
83.08612	14.2
85.06526	4.1
91.05473	37.0
93.07056	46.1
95.04980	8.7
95.08610	50.5
97.06512	10.0
97.10181	5.2
98.20733	10.8
99.08071	6.3
105.07030	20.6
106.57281	4.0
107.08611	25.2
107.09198	3.9
109.10157	18.5
117.07003	7.0
119.08535	10.4
121.10133	11.0
123.11662	6.8
131.08563	8.1
133.10124	12.8
135.11626	5.4
147.11678	7.0
149.13264	8.8
195.14012	6.0
228.26004	4.8
261.22318	4.8
263.23886	6.7
269.17596	8.6
328.08078	5.6
329.08475	5.3
330.08932	4.5
337.27383	33.9
351.25247	9.5
406.37079	5.8
441.20932	6.0
458.38068	5.0
497.27441	5.1
498.27664	5.6
531.40448	88.9
552.55652	4.9
554.34137	9.7
610.39569	13.2
613.47821	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	667.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92220	4.9
51.47301	4.7
52.98953	6.2
53.60300	4.2
55.01868	10.1
57.03448	26.2
57.07079	45.3
61.02923	7.2
67.05525	7.3
69.03439	60.5
70.92628	8.2
70.92979	11.2
79.05468	4.9
81.03430	17.9
85.02907	64.8
85.06541	14.0
87.04480	26.8
91.05463	8.2
95.04998	6.5
97.02909	29.0
103.03970	14.2
104.22346	5.1
105.07043	7.3
107.04975	11.7
107.08603	5.0
109.02854	7.7
115.03946	20.5
119.04971	7.8
121.02914	10.7
129.06993	7.0
131.04976	5.4
133.04968	12.9
135.04440	6.2
137.06009	8.0
139.03960	7.5
143.08606	7.3
147.04433	18.4
147.08066	5.5
151.03865	7.8
155.08571	10.3
157.06444	6.1
157.10205	8.3
157.72054	5.0
161.06012	11.4
163.03917	11.0
165.19420	4.5
171.04385	14.9
171.08142	9.5
173.05925	8.0
175.03922	13.9
175.07634	10.3
177.05507	10.1
179.08620	5.2
183.07970	7.0
185.06044	14.7
185.09689	16.1
186.39781	5.7
187.03920	20.6
187.07558	13.4
189.05522	11.1
189.09119	13.3
191.07109	8.3
195.08023	8.0
197.06058	10.5
199.03889	9.6
199.07614	12.4
199.11215	7.5
200.04555	5.2
201.05522	18.7
201.09091	18.7
203.03497	6.4
203.07042	9.2
205.04984	10.3
205.08649	13.7
211.07573	8.6
211.09579	6.5
213.05498	15.3
213.09143	22.0
215.07063	25.6
215.10809	6.8
217.05051	13.4
217.08600	52.2
223.09671	21.0
227.07030	17.6
227.10663	9.7
229.04941	15.3
229.08607	46.5
231.06725	5.6
231.10223	14.2
235.05980	7.8
235.09685	27.8
237.09242	9.7
239.07103	7.3
239.10701	7.7
241.04965	7.7
241.08592	31.7
243.06546	16.9
243.10194	21.5
245.08130	12.4
247.09700	58.4
253.08517	11.1
253.10789	14.6
255.06563	10.6
255.10170	22.0
259.06131	18.5
259.09702	71.8
261.07593	13.6
263.09247	18.2
265.10815	35.5
267.10162	8.9
269.08078	7.2
269.11942	8.1
271.06589	8.0
271.09641	46.0
273.11273	6.8
277.10806	61.3
279.10248	5.8
281.08179	8.3
283.06320	9.1
283.09677	38.8
285.11383	10.6
287.05515	15.8
287.08975	6.0
289.10699	64.9
295.06125	10.6
295.09433	14.9
295.12277	9.9
297.11279	15.1
301.07401	11.7
301.10703	79.3
307.06088	10.6
307.09479	10.9
309.11221	6.1
313.10623	50.4
315.12347	7.2
319.11749	80.1
321.11093	12.7
325.07050	11.1
325.10745	53.4
329.10043	7.3
331.11798	90.1
337.07050	8.4
337.10425	24.3
339.12448	8.5
343.07919	9.4
343.11819	100.0
349.13327	23.4
355.11407	41.6
361.12805	49.3
365.12119	5.4
367.14227	98.3
369.13925	5.6
379.14136	54.6
385.12851	52.2
397.15207	71.5
403.09268	7.9
403.13953	60.9
409.12946	10.3
415.13889	34.2
421.09583	9.9
421.14969	82.3
427.13849	19.6
433.14850	52.5
439.10349	7.5
445.09769	6.6
445.15097	49.6
451.16074	11.5
463.15997	52.4
481.17139	64.2
499.18240	53.1
588.38159	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	665.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01870	0.4
55.05508	1.1
57.03429	1.3
57.23243	0.3
61.02929	3.1
67.05505	4.4
69.03436	2.4
69.07071	1.0
71.04996	0.6
71.35372	0.3
71.55500	0.4
73.02930	2.5
78.40003	0.3
79.05492	3.1
81.03429	1.5
81.07062	4.9
83.04990	1.4
83.08615	1.2
83.59365	0.3
85.02907	3.4
85.06561	0.3
87.04433	0.4
91.03971	2.7
91.05490	2.7
93.07061	4.0
95.04984	0.7
95.08613	1.6
97.02916	3.1
97.06541	1.1
97.10178	0.3
99.04448	0.4
101.02399	1.5
103.03988	0.3
105.07040	1.1
107.08601	1.9
109.02925	0.5
109.06463	0.4
109.10159	0.8
111.08087	0.8
117.07023	0.9
119.08607	0.7
121.10156	1.2
125.09704	0.3
127.03922	1.1
131.08586	1.2
133.10152	1.5
135.11702	1.1
147.11696	0.4
149.13239	1.8
159.11748	1.3
177.12819	0.7
185.04279	0.7
193.05049	0.4
195.13869	1.1
203.05258	0.6
225.47949	0.3
235.13063	1.8
243.08360	1.8
253.12973	0.6
269.17548	1.6
275.20065	0.5
291.15662	0.6
453.21008	18.0
454.21558	0.5
616.63983	0.3
665.35126	100.0
666.35248	3.7
668.28436	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	0.6
69.03422	0.9
69.07054	1.2
70.66575	1.3
79.05500	1.0
81.03426	0.8
81.07066	1.1
83.05023	0.5
84.08145	0.7
85.02893	1.2
90.23539	0.4
91.05460	1.0
93.07036	0.5
93.61455	0.4
95.04993	0.4
95.08592	0.7
105.07022	0.8
107.08608	0.8
109.06492	0.5
109.13004	0.4
112.07619	0.4
119.08572	0.6
120.04522	0.6
121.84354	0.4
122.06042	4.6
124.03960	0.4
124.07526	0.7
126.05483	0.6
127.03912	0.7
132.08134	0.7
136.07536	1.0
137.06039	1.0
138.05522	0.5
140.07047	1.4
145.09987	0.4
146.06044	1.3
147.04308	0.5
148.07559	0.6
154.05014	1.5
160.07582	1.3
164.07097	0.9
167.07150	0.6
174.05550	0.9
176.07146	0.5
185.56451	0.5
188.07130	0.5
198.07851	0.6
204.06618	1.3
206.08301	0.9
208.09975	0.4
211.08730	1.6
212.09387	0.8
213.10263	1.7
214.08693	0.5
221.10742	0.7
222.11623	0.6
223.08650	1.6
223.12401	1.2
224.09555	1.1
225.10141	3.0
226.11076	0.5
227.08162	0.7
227.11790	0.9
232.09734	0.8
235.08690	1.8
236.09558	1.4
237.10245	2.6
238.11000	0.9
239.11887	1.6
241.09799	0.9
241.86055	0.5
243.11377	0.9
248.09474	1.8
249.10239	10.2
250.10989	4.2
250.86761	0.4
251.08136	3.6
251.11780	8.2
252.12553	1.8
253.09824	1.3
253.13498	1.0
255.11287	1.0
259.10858	1.2
261.10260	1.4
262.11026	0.9
263.08826	0.6
263.11835	6.3
264.12607	1.6
264.40564	0.4
265.09772	1.8
265.13480	4.2
266.10339	0.6
266.14206	0.5
267.11398	1.2
267.14896	0.7
269.09549	0.5
273.12463	0.7
275.11801	1.3
277.09943	1.0
277.13333	1.2
278.10486	1.3
279.11343	2.3
280.12195	0.9
281.12689	0.8
283.10806	3.2
285.12415	1.2
286.13303	0.5
289.13336	1.6
291.11313	1.8
291.14456	0.4
293.09268	0.4
293.12842	1.1
295.10742	1.4
296.11496	1.4
297.12515	2.9
299.11514	0.5
300.12299	0.5
301.13138	1.5
302.12979	1.1
303.11172	1.0
305.12531	0.7
309.12296	5.1
310.13150	1.3
311.14127	3.3
312.15286	0.7
313.12329	1.2
314.13342	1.2
315.14600	0.7
316.14481	1.0
317.12604	1.0
323.10394	1.2
323.13876	0.9
324.11130	0.8
325.12723	0.6
326.13110	0.5
327.14612	0.7
328.14523	1.2
329.12082	0.7
329.15833	1.2
330.12549	2.9
330.16061	1.0
331.13486	0.6
332.14059	1.0
334.15286	0.6
337.11844	1.4
337.15521	0.8
339.13770	1.8
342.12418	1.7
342.16040	0.9
343.13751	1.2
344.13977	3.3
345.15024	1.4
346.15628	0.8
355.14029	0.9
356.13889	3.8
356.17593	0.8
357.15027	2.3
358.15720	2.5
359.16559	0.6
360.17297	1.1
362.15308	0.6
363.13339	0.6
364.13956	0.5
368.13812	0.7
369.14639	5.1
370.16046	0.8
371.16550	2.2
372.13354	1.0
372.17252	1.1
373.14435	1.0
374.14996	0.9
374.19147	0.7
375.16132	0.6
382.15555	1.5
384.12991	0.7
384.17111	1.5
385.14951	1.1
386.15088	2.8
387.15897	1.4
388.16757	1.1
399.16214	0.7
400.16608	6.0
401.14301	2.1
402.13754	0.6
402.18201	1.8
403.16669	3.1
404.15952	1.4
410.15237	0.7
412.16608	0.7
414.14355	0.7
415.14902	1.4
416.15948	0.7
418.18027	2.4
419.16101	1.6
428.16129	3.1
429.16708	1.3
430.18033	2.4
431.15683	0.7
433.16513	0.5
434.16980	1.2
435.18082	0.7
438.14905	0.7
446.17172	13.9
446.23050	0.9
447.17221	3.7
448.18777	3.6
456.15744	1.5
457.16165	0.8
464.18121	10.5
464.24182	0.8
465.19037	0.6
474.16666	3.4
475.16669	1.2
476.18140	0.9
480.21530	0.6
488.18607	0.8
489.19135	0.8
490.19647	1.3
492.17740	3.3
506.19278	16.1
507.19095	1.8
508.20978	2.6
524.20337	100.0
525.20587	2.5
540.19476	0.6
569.24048	1.6
587.24933	10.2
588.25519	0.6
597.23297	1.5
605.26086	3.4
615.24609	4.4
629.26251	2.5
633.25494	8.2
647.26788	1.1
665.27649	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	665.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12528	0.5
56.96569	0.7
57.03441	0.6
58.04186	0.5
66.95335	0.5
67.05510	0.9
69.07066	1.2
69.93038	2.9
72.69654	0.5
79.05506	0.7
81.03433	0.7
81.07038	0.7
84.08128	1.1
85.02902	0.9
91.05491	1.2
93.07045	0.8
94.06594	1.0
95.04994	0.6
95.08593	0.9
98.97601	1.5
105.07042	0.6
109.56802	0.5
120.08060	0.7
121.10100	0.6
122.06042	3.4
124.07604	0.6
124.28565	0.5
126.05498	0.7
131.00200	0.6
140.07085	1.5
146.06017	1.7
147.04422	1.6
151.07616	0.5
154.05066	0.8
160.07603	1.0
163.03903	0.6
166.08638	1.3
167.07092	0.6
172.04068	1.0
174.05519	1.0
174.09113	0.6
176.07071	0.6
188.06976	0.6
199.08710	0.8
204.06564	0.9
208.09785	0.7
209.10683	0.8
210.09280	0.7
211.08736	2.2
212.09502	1.0
213.10298	1.5
220.09914	0.6
221.10735	0.7
222.11659	0.6
223.08737	1.6
223.12254	1.0
224.09491	0.6
225.10300	2.3
225.13921	0.6
226.10956	0.9
227.08157	1.0
235.08806	1.9
236.09494	2.3
237.10222	4.0
238.11024	1.1
239.11835	1.9
241.09566	0.9
248.09566	1.5
249.10243	12.4
249.12636	0.9
250.11034	4.3
251.08228	3.0
251.11830	8.1
252.12663	1.7
253.09764	1.2
253.13431	2.0
255.11368	0.7
261.10291	1.8
262.11136	1.1
263.08786	1.0
263.11847	6.9
264.12540	1.6
265.09784	2.3
265.13348	3.9
266.10678	0.9
266.13934	0.6
267.11447	1.1
275.11914	1.1
276.12430	0.6
277.09647	1.9
277.13303	1.3
278.10645	1.0
279.11301	3.4
281.09433	0.9
281.12634	0.6
283.10751	4.1
285.12616	0.7
289.13458	1.2
291.11285	1.2
293.12799	1.2
295.10953	1.0
296.11667	1.8
297.12518	2.6
298.10406	0.6
301.12210	1.0
302.13141	0.5
303.11240	1.3
309.12299	5.1
310.13040	1.3
311.10788	0.6
311.14014	3.6
313.12018	1.1
314.13223	0.8
316.14496	1.4
317.12759	1.0
319.13211	1.1
323.10364	0.7
324.10941	0.9
328.14694	1.3
329.11935	1.0
330.12592	1.5
330.16092	0.8
332.13971	0.8
337.11761	0.8
339.13443	1.2
340.14819	0.8
341.12564	1.0
342.12543	1.9
343.13358	1.8
344.14114	2.8
345.14935	1.7
346.15747	1.0
354.16171	1.3
355.13895	0.9
356.14035	3.5
357.14987	2.0
358.11719	1.2
358.16034	2.4
360.13272	0.7
360.17313	1.1
362.15091	0.8
368.14035	1.1
369.14496	3.7
370.15555	1.2
371.16306	2.8
372.13068	1.0
372.17044	1.7
373.14490	1.5
374.14929	1.1
374.18900	0.8
382.15619	2.0
383.13605	1.2
384.17142	1.7
385.14719	1.1
386.15039	3.0
387.15677	1.8
388.16669	1.5
400.16678	7.2
401.13879	1.1
401.17889	0.7
402.18234	1.9
403.16467	3.3
404.15988	1.2
414.14722	0.9
415.15030	0.8
416.15967	1.0
418.17691	2.3
428.16214	3.5
429.15851	0.7
430.17618	3.3
434.16861	0.9
446.17142	17.6
446.23004	1.1
447.17529	4.0
448.18683	5.5
450.20505	0.8
456.15515	1.8
457.15649	0.8
458.17258	1.0
464.18292	8.9
465.19437	0.7
474.16614	5.3
475.16547	1.3
476.18027	2.3
490.19580	0.8
492.17795	5.9
506.19180	9.6
507.18997	1.7
508.21008	3.0
524.20331	100.0
525.20337	3.5
569.24133	1.8
587.25104	11.3
597.23425	2.8
605.25916	1.9
615.24548	6.9
629.26080	2.2
633.25458	9.9
634.25787	0.6
647.28198	1.0
665.29279	7.0
671.81915	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05211	1.5
64.78395	1.3
69.07063	3.9
70.87455	2.9
70.87817	2.3
73.17827	1.3
84.08143	5.1
88.43646	1.3
90.64164	1.2
94.06580	6.6
108.08077	2.1
112.07629	1.9
116.04998	1.4
122.06036	23.6
140.07077	35.9
144.04478	3.7
146.06020	15.4
148.07568	4.1
162.05457	3.0
172.03947	19.0
173.04742	2.5
174.05519	18.4
176.07082	11.5
190.05019	3.8
191.05916	1.6
199.08621	2.0
204.06573	37.3
206.08156	15.1
211.08640	1.4
213.10242	3.2
215.11829	1.9
225.10263	4.8
239.11807	2.8
241.09790	2.5
243.11288	15.7
251.11887	1.9
257.09158	1.4
263.11856	1.7
265.09775	2.6
267.93375	1.5
269.09128	2.5
271.10706	2.2
279.11237	4.5
283.10822	5.4
284.11588	1.8
285.12347	20.1
287.10342	4.0
287.13690	3.0
299.10361	3.2
301.11832	3.6
303.13446	39.3
313.11829	40.4
314.12747	2.1
316.11069	1.8
318.16074	4.0
319.17087	2.3
330.12305	2.6
331.12973	5.5
337.11600	1.8
343.13226	1.8
344.14035	3.1
345.14545	26.5
346.15494	5.2
347.16418	4.1
358.11441	1.7
358.15585	3.1
360.17114	4.8
370.11707	1.6
371.13000	4.6
372.13229	6.7
373.14337	4.9
374.14993	6.2
385.14322	2.3
386.14877	10.5
387.15994	9.2
388.16629	7.2
399.15405	1.6
399.32224	1.8
402.14221	2.6
402.18719	1.7
404.15997	3.8
406.17603	5.0
414.14508	8.2
415.15353	18.4
416.16031	22.8
428.15845	2.4
430.17630	3.0
432.15875	2.6
433.16232	4.8
434.17227	5.0
446.17126	9.0
447.17819	2.4
456.15494	6.0
474.16690	31.4
475.17429	12.0
476.18533	6.5
506.19345	7.6
507.19464	2.7
524.19946	2.3
571.25708	2.7
573.23267	2.8
591.69049	1.7
597.23688	7.0
615.24524	100.0
616.24335	4.8
647.26886	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	665.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76768	0.7
55.37460	0.6
62.60929	0.7
67.05505	1.3
69.07062	1.9
71.55315	0.9
79.05493	1.3
81.07060	1.6
82.06573	0.7
84.08157	3.1
85.02921	1.7
91.05476	1.6
95.04974	1.1
95.08595	1.3
98.97607	1.8
105.07028	1.1
107.08604	0.8
108.04479	1.0
108.08068	0.7
109.10203	0.8
120.04510	1.0
120.08144	1.1
121.05181	0.7
121.10158	0.8
122.06022	5.2
124.07636	0.8
125.05955	0.6
126.05493	1.6
132.08130	1.3
133.10146	2.0
135.11664	0.7
136.07549	0.8
140.07060	1.4
146.06081	1.4
148.07578	1.2
158.05997	0.8
160.07611	1.8
162.05560	0.8
163.04015	0.8
166.05040	0.9
166.08687	1.0
174.05519	1.5
174.09209	1.6
175.08566	0.8
176.07050	1.0
180.49893	0.6
190.05008	1.5
192.10184	0.9
199.08727	1.1
204.06555	1.6
206.08141	1.6
206.21318	0.8
209.10814	1.1
211.06578	0.7
211.08701	3.0
212.09561	0.7
213.10231	2.9
214.08681	1.1
218.08070	0.7
221.10916	0.9
222.11598	0.9
223.08789	2.5
223.12419	1.9
224.09433	2.6
225.10201	4.2
226.10724	0.9
227.08159	0.9
235.08653	1.8
236.09505	1.7
237.10278	5.4
238.11078	1.1
239.11838	1.8
241.09740	2.1
242.07932	0.8
243.11391	1.6
248.09489	1.7
249.10260	15.0
250.11041	6.1
251.08156	4.4
251.11832	11.2
252.12581	1.9
253.09738	2.1
253.13409	2.4
255.11244	1.4
257.09363	1.0
259.10822	2.3
261.10260	1.9
262.11127	0.8
263.08267	0.9
263.08710	1.1
263.11826	9.6
264.09042	1.1
264.12604	2.4
265.09851	4.0
265.13293	5.5
266.10638	0.9
266.14047	0.9
267.07626	1.0
267.11502	1.3
267.14865	0.7
272.13223	0.7
273.12418	2.3
275.11740	1.2
276.12460	1.0
277.09695	3.0
277.13055	0.8
278.10431	3.2
279.11279	5.1
281.09454	1.5
281.12854	1.4
283.10806	3.3
284.11661	1.4
285.12335	2.0
287.10254	0.9
289.13312	2.1
291.11429	3.1
291.14444	0.9
292.12091	1.2
293.12787	1.3
295.10767	2.0
296.11707	2.6
297.12369	3.5
298.13284	0.8
301.12234	2.4
302.12964	1.8
303.11130	1.2
305.09305	1.1
305.12793	0.9
309.12390	6.8
310.12976	1.6
311.14139	5.4
313.12152	2.3
316.14566	1.8
317.12491	1.0
318.16125	1.0
319.13345	1.0
323.10275	2.7
323.13846	1.1
324.11102	1.3
325.15744	0.9
327.14670	1.5
328.11276	1.0
329.12289	1.2
330.12552	3.4
330.16049	1.5
331.13531	1.3
332.14008	1.0
337.12021	2.3
339.13754	2.4
342.12665	2.0
343.13348	2.0
344.13742	3.6
345.14862	1.7
346.15698	1.8
353.11569	1.0
354.16388	1.2
355.13400	1.3
356.13995	6.0
357.14755	2.5
358.11771	1.5
358.15616	3.7
359.16898	0.8
360.13248	0.8
360.17184	2.0
362.14990	2.4
363.13416	1.2
368.13934	1.1
369.14832	6.0
370.11691	1.0
370.15829	1.4
371.16147	2.0
372.13193	1.5
372.17181	2.1
373.14124	2.0
374.14841	1.6
376.17032	1.0
382.15744	2.4
383.13538	1.8
384.17133	2.2
385.14792	2.4
386.15097	4.0
386.19250	0.8
387.15631	1.5
388.16583	1.9
392.20444	0.7
399.15891	1.2
400.16653	8.5
401.14264	2.7
402.18213	2.9
403.16602	3.5
404.16190	1.5
410.15039	1.3
412.16409	1.8
414.14633	2.0
415.15326	1.9
418.17798	4.2
419.16226	1.2
428.15927	3.5
430.17841	5.4
431.15555	1.1
432.15549	1.5
433.16553	1.0
434.17252	1.4
435.17862	1.5
444.19586	1.0
446.17166	16.3
447.17340	4.3
448.18826	3.7
456.15680	6.0
457.16254	1.9
458.17163	1.4
459.16223	0.7
461.17056	1.2
464.18204	10.2
465.19019	0.9
474.16626	27.6
475.17020	2.5
476.18024	2.5
478.19699	0.9
488.18140	1.8
489.19153	3.7
490.19946	3.3
492.17667	17.7
506.19278	21.3
507.18961	2.5
508.20776	7.8
524.20337	100.0
525.20947	3.9
569.24109	1.7
571.25128	0.8
587.24969	9.7
597.23450	3.0
605.25708	3.2
615.24512	12.1
629.25879	2.9
633.25635	11.7
647.27332	1.6
665.27911	14.1
665.36627	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46287	1.3
65.89430	1.2
67.05502	1.8
68.05027	2.1
69.07066	5.6
69.64880	7.5
84.04540	1.3
84.99708	1.4
86.19080	1.3
87.39976	1.3
89.35678	1.5
94.06573	10.8
95.04971	2.0
108.08105	2.9
112.07581	1.8
116.04990	1.5
118.06580	3.0
122.06033	27.4
134.06021	2.4
136.07509	1.3
137.05972	1.8
140.07079	41.1
141.82268	1.3
144.04472	3.9
146.06017	19.3
148.07506	4.6
152.07092	2.0
160.07623	1.6
162.05522	3.2
172.03946	23.3
172.05389	1.4
173.04718	1.5
174.05524	16.4
176.07079	11.4
187.12231	2.0
190.05031	4.7
191.05806	2.1
192.06520	3.2
197.10817	1.7
199.08672	2.4
204.06575	49.4
206.08112	15.8
211.08600	1.8
213.10265	5.8
214.11101	1.4
215.11832	3.8
225.10220	5.0
226.08742	2.1
226.10863	1.6
237.10315	2.3
239.11725	2.7
241.09705	3.0
243.11299	17.3
248.09494	2.7
249.10251	10.0
250.10983	2.4
251.11847	3.6
255.11099	2.4
262.11041	4.1
263.11819	44.8
264.12613	3.7
265.09637	4.4
265.13330	5.1
267.11279	4.0
270.10275	1.8
271.10764	1.6
277.09747	9.4
277.12436	1.6
278.10556	1.7
279.11288	17.6
280.11987	2.3
283.10776	5.4
284.11304	2.0
285.12338	18.4
287.10367	5.3
287.13919	3.6
290.10510	3.3
291.11295	16.6
292.12057	5.8
295.10730	10.8
297.12155	2.0
299.10168	3.3
300.12311	1.7
301.11935	3.8
303.07855	2.8
303.13385	41.4
304.14401	3.0
307.10938	2.6
308.11423	2.0
309.12350	18.3
310.13174	2.0
311.13959	3.6
313.11871	38.3
316.10678	2.0
316.14441	2.7
318.09875	4.1
318.16061	5.5
319.16776	2.5
323.13861	27.3
330.12311	3.4
331.13043	8.2
332.13824	2.1
332.17798	1.6
336.11035	21.0
337.11783	10.4
338.12332	1.5
341.15225	1.6
344.13873	3.3
345.14471	30.5
346.15594	7.1
347.16284	4.2
348.16751	1.8
354.11905	1.7
355.12839	3.7
356.14032	2.1
358.11734	2.6
358.15475	3.6
360.17010	6.0
363.15433	1.8
367.12814	14.0
368.13818	18.6
369.14493	25.7
370.15488	7.8
371.12628	2.4
372.13312	5.6
373.14105	4.0
374.14832	6.2
385.14337	1.7
386.14905	13.1
387.15784	10.2
388.16782	6.7
395.07416	1.7
400.12271	2.0
402.14218	3.1
404.15918	3.2
405.16867	3.5
406.17560	6.2
414.14563	10.1
415.15289	22.0
416.16049	26.9
418.17697	3.3
428.16180	3.2
430.18054	7.0
432.15204	2.8
433.16373	5.5
434.17148	6.9
446.17188	8.2
447.17789	2.4
456.15643	7.5
457.16174	2.0
460.14734	1.8
474.16599	34.8
475.17395	18.1
476.18170	12.9
478.19870	9.3
489.18942	2.3
493.17905	2.7
494.19678	1.7
506.19250	6.0
507.19858	4.0
508.20767	43.3
510.22382	18.2
526.21533	2.6
571.25525	2.7
573.23102	4.2
597.23724	7.3
615.24500	100.0
616.24335	4.3
647.26642	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	664.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15857	0.6
50.42938	0.6
52.90368	0.7
55.05517	7.6
57.03198	1.1
57.03444	13.0
57.07081	26.7
57.19547	0.7
57.44722	0.7
59.04565	0.6
59.05010	3.8
60.20327	0.8
61.02936	4.7
65.03953	1.7
67.05510	68.4
69.03428	1.1
69.07082	5.1
71.04987	3.1
71.08287	1.3
71.08636	16.9
73.02925	1.5
74.09721	4.1
79.05494	2.1
81.07064	17.4
83.08630	10.0
85.02927	4.8
85.06543	2.0
85.10184	9.5
86.10780	0.7
87.04459	1.5
89.06017	1.4
91.03948	2.4
91.05480	3.9
93.07035	3.1
95.08612	18.2
97.02890	2.5
97.10159	2.8
97.92549	0.7
103.07592	1.0
105.07032	0.8
107.08580	2.7
109.10165	66.6
111.08070	2.2
119.08573	5.0
123.11693	1.8
137.09598	2.6
155.09634	0.9
155.10666	5.6
161.05922	1.1
173.11763	18.7
173.13199	1.0
229.14371	100.0
239.23738	1.8
257.24774	1.5
291.55054	0.8
313.27390	85.5
314.27753	1.3
358.69199	0.7
467.37384	61.8
468.37943	1.9
664.45001	1.1
665.44983	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.4
55.01845	5.6
55.05524	32.0
57.03433	9.5
57.07087	10.8
61.18428	6.3
67.05514	90.8
69.07079	37.6
71.55502	10.7
79.05510	37.3
81.07070	100.0
83.04948	12.3
83.08634	19.4
91.05482	36.7
93.07040	47.0
95.04984	5.7
95.08632	63.0
97.06550	12.4
105.07050	26.1
107.08607	27.4
109.06493	8.4
109.10165	22.4
119.08584	20.8
121.10150	16.5
123.11715	8.0
129.01703	5.7
131.08551	12.2
133.10141	17.9
135.11679	13.3
145.10155	7.9
147.11687	9.3
149.13286	9.6
159.11684	9.2
189.57513	6.1
222.15207	6.8
239.18085	7.9
255.15927	9.9
257.18970	8.3
269.17624	10.5
275.20163	14.1
327.07971	7.2
328.08487	7.8
337.27390	53.6
349.23795	10.1
384.14618	6.3
439.20065	7.1
440.20752	7.9
477.95227	6.7
517.38629	17.2
531.40564	49.3
552.32574	9.0
608.39642	7.4
627.08185	6.4
630.12695	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	663.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61792	0.5
55.05532	0.5
55.73227	0.6
56.96564	0.6
57.03432	0.6
67.05521	1.8
68.23161	0.5
69.03410	0.6
71.05005	0.8
71.55544	0.8
73.02956	0.6
79.05482	1.5
81.03426	1.4
81.07073	1.5
85.02884	1.1
87.27145	0.5
91.05505	2.1
93.07051	1.4
93.26579	0.5
95.04963	0.8
95.08627	1.1
97.02883	0.8
105.07017	0.9
107.08658	0.6
109.10165	0.6
119.08594	1.2
121.10158	0.6
127.03944	0.7
131.08611	0.7
143.08589	0.5
149.02422	2.1
150.02695	0.7
157.10216	0.6
193.05020	0.8
194.05397	0.7
243.08414	1.5
255.15883	0.6
267.16040	0.7
273.14508	0.6
304.52545	0.5
314.46436	0.5
317.20901	0.5
430.12183	1.1
445.25613	2.3
448.27551	1.2
466.28638	1.0
474.14728	1.2
501.28284	2.0
635.34064	1.0
645.43237	0.6
663.33569	100.0
664.33575	2.5
668.78210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	2.4
53.10191	0.5
55.01849	1.3
56.95913	0.5
57.03408	1.0
61.02896	1.1
67.05472	1.2
68.99770	1.0
69.03432	7.2
71.04954	1.0
71.55717	0.9
73.02882	2.0
79.05458	1.1
81.03425	8.2
81.07017	0.6
85.02910	10.0
87.00832	4.8
91.05436	1.1
92.22227	0.6
93.03390	0.5
93.06996	0.6
95.08546	1.2
97.02893	4.1
98.67644	0.5
99.04460	2.9
105.01865	2.5
109.02888	6.2
109.10111	0.9
114.90186	0.5
117.01814	1.1
127.03122	0.5
127.03930	7.8
127.35439	0.5
130.00974	0.5
133.10080	0.6
135.30513	0.6
136.01448	0.6
137.05971	2.8
145.04927	1.4
147.04428	0.9
148.93558	0.5
149.02335	0.7
151.03900	5.0
151.05002	1.1
159.02930	3.8
163.03853	0.6
164.04680	0.8
195.02876	1.4
203.96388	0.5
213.03925	0.6
243.06488	0.6
245.04439	0.7
257.04501	0.9
260.06671	1.4
264.18951	0.7
271.05984	1.3
273.03909	1.6
285.03790	1.0
288.06345	3.5
301.03519	3.7
316.05832	8.9
326.04245	0.6
329.02896	2.5
343.04407	2.6
344.05283	24.6
345.05923	2.1
357.06146	0.8
358.16696	0.6
359.07620	100.0
360.08185	1.5
368.15854	0.6
415.13895	83.5
416.14340	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.7
67.05514	2.9
69.03432	2.3
69.07078	2.2
70.06560	1.0
71.04973	1.1
71.54925	1.7
71.55331	1.0
79.05482	2.2
81.03419	3.2
81.07057	2.8
83.08637	1.3
84.08138	1.1
85.02927	2.4
86.09721	1.9
91.05492	3.1
93.07047	3.4
94.06590	1.5
95.04969	2.5
95.08611	2.7
97.02900	1.9
97.06571	1.1
105.07021	3.7
107.08626	1.5
109.10138	1.3
109.72060	1.0
117.07048	0.9
119.08566	1.6
121.06499	1.0
121.10168	1.4
121.72208	1.0
122.06024	2.3
125.06022	1.2
128.56770	1.0
131.08571	1.2
133.10074	1.8
136.07608	2.5
138.09187	1.2
139.03987	1.5
140.07089	3.0
145.10103	1.4
146.09627	2.4
163.11250	1.6
164.07060	2.8
165.09160	1.1
184.07355	2.9
193.12109	1.1
204.06618	3.4
206.08095	1.8
221.10789	1.1
222.11559	4.3
223.12328	1.1
234.11595	1.1
235.12299	1.5
236.09254	4.3
236.61873	1.4
237.10251	2.4
237.13972	1.4
238.10823	1.9
247.08749	4.1
248.09465	6.0
249.10219	17.8
250.11012	6.0
251.11748	4.8
261.10272	4.6
262.10913	5.8
263.11801	80.1
264.09052	1.1
264.12592	8.2
265.09869	2.8
265.13385	7.6
267.11374	1.9
269.18896	1.0
275.08008	1.8
276.09052	1.3
277.09760	17.5
278.10287	2.0
279.08386	2.2
279.11301	28.9
280.11987	2.4
281.12802	8.5
282.13574	9.0
285.10101	1.4
285.17224	1.1
289.09723	3.2
290.10532	5.3
291.11273	30.9
292.12042	7.4
293.12930	4.3
294.09924	1.4
295.10837	16.5
296.11642	1.0
300.50430	0.9
303.07574	2.3
307.10767	7.8
308.11606	1.9
309.12344	50.4
310.13062	3.0
311.13919	2.3
314.13501	0.9
318.10007	5.1
319.10773	2.5
323.13895	44.2
324.14648	2.6
325.12122	1.5
335.10226	3.9
336.11047	36.9
336.15085	1.8
337.11789	20.1
338.12665	4.5
339.13284	1.6
341.14996	12.6
345.14658	4.9
349.11707	1.3
351.13367	4.1
356.13763	1.4
367.12903	31.3
368.13663	42.2
369.14447	100.0
370.15186	10.3
399.15564	4.1
401.17169	1.3
459.17725	1.7
473.19473	1.2
476.18234	4.9
478.19812	13.5
490.19888	6.2
491.20557	5.8
508.20813	69.2
509.21451	3.0
510.22409	24.3
522.21967	1.3
540.23468	59.7
599.25653	5.2
631.27728	12.6
663.36530	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.3
55.01862	4.3
55.05521	26.3
57.03436	14.8
57.07077	6.2
65.03941	4.3
65.79105	2.7
67.05509	100.0
69.07077	26.2
71.04991	5.1
72.75591	2.7
79.05067	4.8
79.05500	76.8
81.07064	88.0
83.04984	9.8
83.08627	16.4
85.06556	5.0
87.04473	39.6
91.05480	55.2
93.07047	79.2
95.04959	11.6
95.08617	53.5
95.95947	2.7
97.06525	9.1
97.10148	3.4
99.08143	3.7
105.07040	42.5
107.08590	44.2
109.06557	6.6
109.10146	23.3
117.07011	16.6
119.08593	29.7
121.06474	3.9
121.10136	28.5
123.08044	4.9
123.11680	6.7
125.09713	3.4
129.06993	5.2
131.08578	24.2
133.10147	32.3
135.08083	3.8
135.11726	15.1
137.09660	3.3
139.11151	3.3
145.10127	19.2
147.11699	12.2
149.09596	6.2
149.13263	16.5
159.11723	15.3
161.13255	5.5
163.11240	3.3
173.13341	4.2
185.13307	4.2
195.13802	6.0
197.13200	3.6
220.54652	3.4
239.06906	3.2
255.15915	8.7
257.19131	5.2
261.22192	12.1
269.17480	10.5
275.20114	17.0
277.21609	6.5
335.22021	5.8
335.25809	75.5
349.23740	16.4
444.19797	3.6
459.21793	11.2
460.22336	4.0
461.23450	3.7
475.21179	8.5
515.37372	14.3
519.24042	3.7
529.38965	68.0
547.27155	12.9
569.41504	6.2
606.28522	40.3
607.28864	5.5
622.27808	24.2
662.45178	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	662.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.4
55.01868	6.8
55.05514	36.2
57.03437	19.5
57.07079	11.8
63.67571	3.3
65.03944	3.9
67.05176	5.7
67.05510	93.1
67.52687	3.1
68.16859	4.0
69.07072	41.8
69.73676	9.2
69.74093	9.8
79.05497	84.0
81.07063	100.0
83.04980	8.2
83.08625	20.5
85.06506	3.5
87.04477	48.7
91.05488	66.0
93.07050	93.2
95.04942	8.0
95.08617	62.4
97.06518	10.2
97.10156	18.9
103.05397	3.8
104.90827	4.3
105.07034	62.8
107.04958	5.0
107.08598	60.6
109.06528	5.1
109.10146	28.2
111.08109	3.6
117.06998	20.9
119.08605	37.2
121.10158	31.7
123.11693	8.1
125.09620	9.9
129.07007	7.7
131.08571	31.5
133.10132	27.5
135.08092	3.8
135.11705	18.3
138.76837	3.7
139.66884	3.4
142.07744	4.9
143.08604	8.9
145.10143	22.7
147.11679	21.2
149.09618	9.3
149.13213	7.8
157.10153	11.2
159.11719	23.2
161.09673	4.6
161.13330	9.5
163.11273	6.1
169.10059	4.8
171.11719	6.2
173.13293	14.6
175.14786	4.6
183.11696	5.4
185.13214	11.3
187.14926	5.8
189.11169	5.2
201.16309	4.6
203.14362	6.2
219.17415	8.2
227.12794	22.2
239.17891	5.6
257.19034	16.0
259.20615	5.1
261.22180	11.0
275.20093	36.1
277.21368	3.7
321.24393	4.2
335.25806	76.5
349.23785	34.0
489.35806	7.3
529.38873	6.1
587.61792	4.1
609.45197	24.9
662.45465	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	662.375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.6
53.03940	3.3
55.01875	2.2
55.05299	1.6
55.05514	15.4
57.03442	19.5
61.02921	4.3
61.91764	1.4
67.05513	45.1
69.03426	3.8
69.07066	15.1
71.01342	2.2
71.04987	6.4
71.13790	2.9
79.05499	44.0
81.03424	49.7
81.07060	29.6
83.04990	19.2
83.08629	18.7
85.02911	15.8
85.06544	4.1
91.03992	1.6
91.05488	34.0
93.07045	44.3
95.04977	21.3
95.08615	11.4
97.02888	3.2
97.06540	11.8
97.10189	11.0
99.04397	1.5
99.08101	3.1
105.07037	17.1
107.04955	6.2
107.08605	31.9
109.06531	4.5
109.10170	5.3
111.04435	2.4
111.08096	7.7
113.05981	1.7
115.05431	2.0
117.07010	4.3
119.08585	12.8
121.06512	3.1
121.10146	11.2
123.11696	1.9
129.07043	7.1
131.08578	7.7
133.06493	2.1
133.10185	11.3
133.11032	2.5
135.11707	47.8
137.09660	1.8
145.10170	8.8
147.08035	2.7
147.11688	6.8
149.09602	2.9
157.10147	11.2
163.11220	7.1
165.12717	3.3
170.57784	1.6
175.11201	10.5
175.45340	1.4
181.12245	9.0
184.07402	4.4
193.12267	27.7
199.13358	3.5
211.11348	2.3
211.13321	41.3
255.15944	97.6
267.15915	23.7
285.16974	27.2
447.27490	41.7
465.28513	100.0
466.28964	2.6
468.31323	1.9
554.19629	1.7
609.32623	1.7
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
53.03932	6.7
55.05519	52.0
57.03423	13.4
57.07076	13.6
58.02864	4.8
67.05515	81.3
69.07069	29.3
71.54855	7.7
79.05502	68.8
81.07063	77.0
83.04955	6.6
83.08627	25.6
87.04469	57.6
91.05499	43.2
91.97015	4.9
93.07053	72.4
95.04971	8.3
95.08624	40.5
95.32445	4.9
97.06532	8.8
97.10194	41.8
105.07046	40.2
107.04974	7.5
107.08595	64.7
109.10138	19.4
113.63330	5.6
117.07037	12.6
119.08591	27.3
121.10131	25.3
125.09663	53.6
131.08569	22.5
133.10120	18.8
135.08031	5.8
135.11673	15.3
145.10104	23.4
147.11691	19.6
149.13206	8.7
159.11711	13.9
161.13200	10.4
173.13202	9.7
180.25584	5.8
189.11197	24.1
204.54996	5.4
216.97665	4.6
227.12840	100.0
237.75809	6.4
257.19003	8.2
261.22150	23.7
275.20126	48.6
301.38379	5.8
335.25812	74.6
349.23718	38.8
357.40652	5.6
397.70609	6.7
445.19855	6.0
487.33945	6.6
505.35413	43.7
609.45050	43.7
627.45526	5.8
662.45874	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	662.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04079	1.1
57.07077	1.9
66.43998	0.9
68.42187	1.0
71.54722	1.2
79.05496	1.5
87.04481	13.0
88.19149	0.9
91.05489	1.1
93.07043	1.4
94.41343	1.0
122.42966	0.9
280.01370	0.9
401.17798	1.6
402.18079	1.6
403.19589	2.3
404.19934	1.3
415.15158	1.3
416.20297	1.9
417.20612	3.9
419.18198	1.2
430.61588	1.2
431.18488	4.9
432.19388	1.4
433.24353	8.5
444.19424	3.9
445.20416	7.2
446.17215	4.3
447.17606	7.6
459.21887	53.5
460.22833	9.9
461.23132	5.8
473.23407	3.1
475.21362	20.1
476.21906	3.6
477.22583	2.7
487.25226	3.0
489.22885	2.8
503.24402	2.1
519.23651	10.6
531.23706	3.5
533.22034	3.4
535.23309	5.6
545.25513	4.3
546.26208	3.1
547.27283	32.7
548.26746	1.3
549.24469	1.7
561.22003	1.2
562.25323	3.1
563.26367	7.0
574.25397	1.8
590.24896	2.4
591.25391	3.7
592.26477	1.3
593.23926	8.3
594.27661	1.3
605.27606	6.7
606.28436	100.0
607.28766	8.7
622.27917	78.9
623.27783	4.3
630.26788	3.0
662.29675	16.7
662.42017	1.1
662.45129	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	0.9
64.54485	0.4
67.05502	0.5
69.03465	0.4
71.37728	0.8
79.05488	0.9
79.28290	0.4
79.75013	0.4
81.07048	0.5
85.02921	0.6
91.05484	0.6
93.07040	0.6
93.40598	0.4
95.08611	0.5
96.59000	0.4
97.02902	0.4
100.71237	0.5
105.06966	0.6
109.10191	0.6
131.08597	0.5
148.83165	0.4
152.54890	0.4
213.72249	0.4
243.08389	1.3
298.02097	0.5
313.27649	0.4
413.23059	0.7
443.24036	3.6
446.29556	0.4
471.27307	0.8
481.18298	0.7
499.26624	3.2
633.32611	1.4
661.31970	100.0
662.31824	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	661.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.6
55.01870	4.4
55.05272	1.1
55.05516	15.9
57.03439	23.8
57.07075	3.4
59.30684	1.1
61.02931	86.8
67.05511	47.1
67.05876	2.3
68.60686	1.1
69.03437	30.4
69.07074	19.5
71.01355	5.1
71.04980	4.5
71.08624	2.0
71.55158	1.4
71.55518	1.4
73.02921	28.7
75.04488	2.9
79.05495	19.5
81.03425	26.5
81.07064	51.5
83.04979	5.1
83.08618	12.9
85.02911	100.0
85.06530	1.8
85.10208	1.3
86.03217	1.6
87.04480	2.7
91.03960	58.2
91.05480	12.8
93.07052	16.7
95.04980	2.6
95.08614	40.0
96.51129	1.2
97.00104	1.2
97.02898	83.3
97.06550	3.3
97.10167	7.9
99.04465	15.6
99.08086	1.7
101.02396	12.1
103.03937	12.2
105.07011	9.8
107.04951	1.4
107.08608	11.4
109.02895	11.6
109.06496	2.2
109.10166	16.7
111.04435	2.5
111.08102	1.7
115.03937	7.1
117.05517	3.0
117.07016	2.2
119.08580	9.7
121.10146	9.6
123.11733	7.9
125.09600	1.9
127.03925	36.4
129.05505	6.2
129.07039	1.4
131.08575	3.6
133.05042	1.2
133.10132	8.2
135.11708	5.7
137.02226	1.2
137.05969	2.0
137.13263	3.4
140.76454	1.1
141.05522	1.5
145.04968	24.1
145.10129	1.7
147.06528	1.7
147.11682	5.0
149.02289	1.3
149.13263	4.5
151.14833	1.3
159.06509	2.6
159.11639	1.6
161.13287	5.0
163.06029	6.2
163.14850	4.1
171.06555	1.7
171.11717	1.5
172.41307	1.1
173.13330	1.4
175.14813	2.9
177.16447	1.8
181.15819	1.2
183.06548	11.7
187.14828	1.3
189.16389	2.4
201.07649	7.7
204.12950	1.1
245.22668	10.7
261.22186	3.0
263.23697	20.2
279.23004	1.3
287.23679	1.4
303.23358	1.5
305.24710	1.8
309.95584	1.4
329.24808	2.3
337.27393	89.1
338.27820	1.7
347.25858	1.8
353.24716	2.0
365.26828	4.3
371.25861	4.8
379.28427	2.6
403.28528	1.5
414.31134	1.2
445.29599	4.8
463.30353	5.0
481.31680	12.1
499.32822	1.9
597.45239	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01880	1.1
55.05514	7.2
57.03439	8.6
57.07093	1.7
61.02934	11.6
62.59022	0.8
65.03934	0.9
67.05513	31.1
68.05847	1.0
69.03419	3.3
69.06787	0.8
69.07079	10.0
69.28809	7.9
71.01342	1.1
71.04988	3.9
73.02916	3.6
75.98477	0.8
79.05499	18.8
79.38842	0.9
80.05808	0.9
81.03415	5.1
81.07063	41.3
82.07376	1.6
83.04986	3.3
83.08626	8.2
85.02918	10.7
85.06550	1.7
91.03978	6.5
91.05486	12.7
93.07051	30.5
95.04954	2.7
95.08611	12.9
97.02905	10.1
97.06534	4.9
97.10198	0.9
98.03216	1.4
99.04510	1.2
99.08138	0.9
101.02386	1.2
103.03918	0.8
105.07025	4.8
107.08601	15.7
108.08955	1.1
109.02887	1.4
109.06532	1.7
109.10174	3.3
111.08086	3.2
111.11672	1.1
117.07018	3.7
119.08553	1.7
121.10155	9.3
123.11732	2.7
127.03938	2.8
128.04286	1.2
131.08569	4.5
133.10146	6.5
135.08107	1.0
135.11705	5.8
145.05011	2.3
147.11795	1.9
149.02341	1.5
149.13248	11.4
149.14188	0.9
159.11720	6.6
177.12772	3.7
195.13797	9.5
213.14879	2.4
243.21175	0.8
251.16533	1.5
262.22443	1.1
269.17505	48.7
335.25888	2.4
336.26233	5.1
344.93820	0.9
359.86142	0.8
407.08197	0.8
462.28598	0.9
463.30594	100.0
464.30716	2.8
534.69159	0.9
574.08203	1.0
660.36279	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	659.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.3
55.01865	5.8
55.05515	11.1
57.03443	20.2
61.02929	77.2
65.03951	3.1
67.05508	32.5
68.67890	1.5
69.03429	32.0
69.07060	8.0
71.01340	4.0
71.04977	5.9
71.28279	3.9
73.02921	25.5
79.05497	26.6
81.03417	20.3
81.07057	37.7
83.04982	4.0
83.08606	6.1
85.02908	100.0
85.06534	1.7
87.04446	3.3
91.03957	58.7
91.05492	14.5
93.07048	29.9
95.04978	3.7
95.08611	29.3
97.02893	67.5
97.06546	2.3
97.10149	1.5
99.04466	10.7
99.08126	1.4
101.02386	6.2
103.03928	9.1
105.07020	13.5
107.04927	1.7
107.08587	17.6
109.02886	11.1
109.06487	2.3
109.10167	14.1
111.04488	3.1
115.03934	6.4
117.05460	2.4
117.07016	5.3
119.08569	12.0
121.10145	14.4
123.11708	5.9
125.09536	1.4
127.03921	31.9
129.05505	4.1
129.07019	2.1
131.08574	7.4
133.10136	10.3
135.08032	1.8
135.11703	8.8
143.08551	2.6
145.04955	22.2
145.10120	6.2
147.11697	6.5
149.09647	2.0
149.13255	6.1
153.05605	1.7
157.10167	2.0
159.06534	2.7
159.11700	3.8
161.13260	5.0
163.06046	7.1
163.14807	3.7
165.12776	1.4
166.42737	1.5
171.11673	2.1
173.13284	4.9
175.14682	1.9
177.12778	1.7
183.06551	6.3
185.13258	3.2
187.14713	2.2
192.99422	1.4
201.07578	5.2
230.59431	1.4
241.19556	1.7
243.21111	5.0
250.22687	1.5
259.20605	2.0
261.22186	12.9
267.15793	2.1
277.21899	1.7
315.23019	1.6
327.23270	2.6
335.25803	61.8
351.23276	1.8
363.25256	2.9
369.24329	2.6
411.62097	1.5
418.23032	1.8
435.42981	1.6
443.27682	2.8
461.28973	2.6
479.29935	6.0
497.30807	1.8
659.35736	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	659.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	35.2
59.06133	17.8
67.05499	65.8
69.03413	14.8
69.07063	55.8
69.46880	100.0
71.04968	15.8
72.05399	14.4
79.05502	57.5
81.07043	67.6
83.08595	22.1
89.06031	61.2
91.05479	39.0
93.07050	45.7
95.04994	15.3
95.08590	50.8
105.07015	42.1
107.08626	39.1
109.06483	17.7
109.10138	37.0
119.08569	30.7
121.10139	63.6
129.06932	15.9
131.08578	14.6
133.06508	23.7
133.08647	35.2
133.10120	15.7
135.08110	17.3
135.11658	18.2
137.09488	14.9
145.10181	16.3
147.11642	19.1
148.79510	14.5
149.13300	20.6
151.11208	15.6
161.05989	67.7
195.02954	36.9
221.65482	13.9
311.09106	19.9
335.25830	16.9
432.82318	17.9
553.76947	15.6
554.33514	16.5
558.12134	18.3
659.21918	93.8
659.43842	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	659.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.3
55.01869	5.1
55.05512	11.7
57.03190	1.6
57.03443	23.9
57.07076	3.2
59.05007	1.6
60.29089	1.7
60.37201	1.3
60.89222	1.5
61.02934	87.1
65.03944	2.3
67.05511	53.2
69.03089	2.0
69.03437	33.1
69.07069	12.1
69.24217	14.2
70.06597	2.9
71.01348	5.0
71.04986	4.5
73.02926	28.5
75.04472	2.0
79.05077	1.7
79.05502	30.0
81.03421	26.9
81.06581	2.9
81.07063	52.1
83.04964	5.5
83.08618	5.5
85.02912	100.0
85.06521	3.2
87.04464	3.1
88.07629	4.3
91.03409	3.1
91.03967	55.8
91.04944	2.3
91.05487	22.6
93.07053	36.4
95.04964	5.7
95.08616	37.0
97.02903	82.4
97.06538	1.6
99.04480	14.5
101.02374	8.4
102.09194	3.2
103.03943	9.5
105.07050	15.1
107.04996	1.7
107.08618	21.4
109.02891	16.1
109.06534	2.3
109.10165	20.6
111.04454	3.7
111.08056	2.4
115.03966	7.8
117.05493	4.8
117.07014	4.5
119.08577	13.2
121.10167	15.9
123.11680	7.1
125.09625	2.3
127.03928	32.1
129.05464	6.2
129.07013	2.4
131.08577	10.9
133.10138	11.3
135.08095	1.9
135.11703	10.5
137.13248	2.3
145.04968	19.7
145.10143	9.1
147.11728	8.5
149.02325	7.5
149.13252	9.5
150.02663	2.4
157.10112	2.9
159.06532	3.8
159.11711	9.0
161.13249	6.3
163.06030	6.6
163.14799	5.2
165.12814	3.0
169.10170	2.1
171.06532	2.6
171.11656	2.7
173.13252	5.8
175.14836	1.8
180.57497	1.5
183.06519	9.3
187.14799	5.6
193.04965	6.9
194.05289	4.3
201.07600	7.2
237.07587	2.7
243.21095	5.8
256.26355	6.3
257.26752	4.2
259.20493	2.1
261.22153	20.4
269.17477	4.1
275.24072	2.1
279.22916	1.5
285.21881	1.8
303.23233	2.9
312.50684	1.8
335.25827	83.3
341.06409	4.1
363.25174	4.0
369.24222	3.2
377.27057	2.9
385.09366	2.5
386.09439	3.5
430.12115	4.3
443.27798	3.1
461.29065	4.3
463.30515	5.8
479.29907	6.6
497.30862	2.7
499.92426	1.7
644.55841	1.7
659.36237	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	658.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.2
53.03950	0.3
55.01867	0.6
65.03939	0.5
66.04684	0.1
67.05511	0.3
69.03442	0.3
69.07075	0.3
70.79596	0.4
79.05499	0.8
81.03421	5.4
81.07046	0.5
85.02909	0.7
85.06561	0.2
86.00589	0.2
86.09697	0.2
91.05496	2.7
93.07047	0.3
94.04182	1.5
95.04981	0.7
95.08634	0.3
102.04707	0.2
103.05485	0.6
105.03397	0.3
105.07036	2.0
106.02936	0.3
107.04954	0.6
109.06523	0.8
111.04449	0.2
115.05449	1.1
117.07050	0.7
119.04948	3.6
121.06506	0.4
122.03665	3.6
123.04413	0.2
124.03967	0.2
127.03977	0.2
128.06270	0.4
129.07001	1.4
130.04103	0.4
131.04990	1.0
133.06514	1.9
135.04431	0.2
136.06186	0.2
137.05989	100.0
138.06323	0.7
143.04938	0.6
143.06029	0.2
143.08714	0.2
145.06500	0.8
147.04419	3.7
147.08054	0.4
149.06073	0.4
150.06712	0.2
151.03920	4.1
151.05083	0.3
151.07536	1.7
157.06483	1.9
158.58011	0.2
159.04451	0.2
160.05251	1.1
161.00490	0.3
161.05986	4.3
162.06763	1.9
163.03938	0.2
163.07576	0.7
165.05507	0.3
167.07095	0.2
172.05098	0.2
173.06021	0.4
174.06845	0.4
175.07565	10.3
177.05484	0.3
177.09158	0.4
178.00862	0.5
179.07024	1.7
185.06033	0.5
187.07559	2.3
188.08232	0.2
189.09123	2.0
191.07011	0.3
193.03194	2.9
199.07564	1.3
205.08621	13.1
207.08203	0.2
211.07649	0.3
213.09067	0.2
217.08611	3.5
219.08267	0.2
221.05902	0.2
229.08600	0.3
235.07565	0.2
235.09654	3.5
239.10713	0.3
253.08362	0.2
259.09943	0.2
265.08853	0.2
267.10190	0.5
282.07980	0.4
283.09708	0.4
285.11539	0.3
295.09766	0.3
295.93311	0.2
297.11200	0.2
299.12857	0.6
309.11258	0.3
321.11188	0.3
323.12836	0.6
327.12317	0.5
329.13904	0.2
335.12842	0.5
347.12842	0.4
353.13870	0.2
357.13333	0.6
365.14029	0.6
487.10480	0.3
487.17502	2.1
489.19540	0.2
496.15619	0.2
507.19901	0.4
519.20221	1.0
575.15009	0.2
581.17926	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95404	0.1
51.02375	0.2
53.03942	0.3
55.01867	0.5
65.03931	0.5
66.04734	0.3
67.05463	0.2
69.84449	0.3
69.84882	0.6
70.06606	0.2
75.27784	0.2
79.05489	0.7
81.03424	5.6
81.07042	0.3
83.04971	0.2
85.02891	0.2
86.09750	0.2
91.04905	0.2
91.05487	3.1
93.03420	0.2
94.04192	1.5
95.04962	0.6
98.21410	0.2
102.04683	0.3
103.05499	1.1
105.03386	0.4
105.07033	1.9
107.04943	0.4
109.06535	0.6
115.05466	0.9
115.29752	0.1
117.07011	0.6
119.04951	3.1
121.02858	0.2
121.06512	0.4
122.03664	3.5
123.04467	0.4
128.06268	0.3
129.06995	1.4
130.04124	0.4
131.04941	0.9
133.02829	0.2
133.06516	2.0
135.04414	0.2
137.05988	100.0
138.06328	0.8
143.04919	0.5
143.05968	0.2
144.05734	0.3
145.06490	0.8
147.04436	3.1
147.08031	0.4
149.00606	0.5
149.06000	0.5
150.01286	0.2
150.06729	0.3
151.03922	4.2
151.05042	0.3
151.07516	1.4
157.06502	1.8
159.08090	0.2
160.05193	0.9
161.05995	4.3
161.07262	0.3
162.06767	1.9
163.07585	0.4
165.05388	0.2
172.05273	0.2
173.06021	0.6
174.06769	0.2
175.07562	8.2
177.09123	0.3
178.00864	0.6
179.07048	1.5
185.06017	0.6
187.07559	2.6
188.08264	0.3
189.09134	1.8
193.03191	2.7
199.07590	1.1
201.09039	0.2
203.07034	0.2
205.08614	11.0
207.08136	0.2
211.07463	0.2
217.08624	3.1
229.08665	0.4
235.07536	0.2
235.09680	2.8
235.11873	0.3
239.10866	0.2
251.06970	0.2
261.09238	0.2
265.08640	0.3
267.10214	0.6
277.08514	0.2
282.08041	0.3
283.09766	0.3
285.11383	0.2
297.11343	0.3
299.12708	0.8
309.11462	0.2
321.11383	0.2
323.12973	0.5
327.12317	0.5
329.14001	0.2
335.12772	0.6
339.12411	0.2
347.13034	0.3
353.13940	0.2
357.13367	0.9
365.13953	0.4
383.15302	0.2
395.15408	0.2
471.18115	0.3
487.17612	1.6
507.19666	0.3
519.20428	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01878	1.2
55.05511	6.4
57.07070	2.0
59.05003	0.9
65.03943	0.8
66.45381	0.6
67.05515	7.0
68.99802	1.1
69.03423	2.6
69.07077	28.7
69.07455	1.4
71.04987	0.9
79.05495	8.0
81.07065	11.9
83.04966	3.5
83.08611	2.9
91.05493	8.0
93.07051	9.8
95.04966	2.4
95.08618	11.7
97.06535	3.0
97.10178	1.6
99.08086	1.0
103.05482	4.1
105.07045	12.4
107.04980	1.5
107.08601	10.0
109.06512	2.3
109.10170	7.9
111.08122	1.4
111.11722	3.2
115.05455	0.9
117.07014	2.6
118.04150	3.4
119.04974	1.3
119.08582	8.2
121.06519	28.1
121.10155	11.3
123.08047	1.0
123.11729	3.4
128.06282	0.9
129.07016	1.8
131.08562	2.5
133.06502	27.5
133.10158	5.3
134.07155	0.9
135.04427	1.6
135.08070	5.6
135.11682	7.1
137.13242	2.4
139.11189	2.2
143.08577	1.2
145.06499	2.9
145.10129	4.7
147.04335	0.8
147.08046	3.4
147.11705	4.8
149.06009	4.2
149.07027	0.7
149.09561	1.2
149.13258	2.7
151.14977	1.0
157.10123	3.0
159.08073	2.1
159.11722	2.8
160.08804	1.6
161.05995	100.0
161.13313	2.2
162.06523	0.8
163.11220	1.7
165.07132	1.1
171.08049	1.6
171.11659	1.8
173.06038	0.8
173.09665	1.9
173.13263	2.5
175.07620	2.5
175.11165	9.1
175.14871	2.1
177.05540	8.1
177.16357	1.4
181.01337	1.8
183.08051	1.0
185.05948	1.3
185.09697	1.0
185.13258	1.2
187.07483	1.1
187.11241	2.2
187.14775	1.4
189.05458	2.3
189.12730	1.6
191.03406	0.8
191.14256	1.6
195.06564	0.9
197.09660	0.8
197.13266	1.7
199.02362	2.0
199.11241	1.2
201.12756	1.2
201.16422	1.7
203.07088	6.9
205.04825	1.1
205.08617	1.1
213.05476	1.3
213.12700	1.1
215.07080	1.9
215.10585	0.9
217.04828	1.0
217.12383	1.2
219.06674	0.9
219.41133	0.9
223.11253	1.0
225.09094	1.5
227.07002	1.2
229.08655	1.3
231.06561	5.5
233.08191	1.5
239.10686	0.8
241.04781	0.9
243.06548	1.1
247.06113	1.0
253.08791	0.8
255.06583	0.8
255.10181	0.8
257.08072	1.3
267.17514	1.0
269.08047	1.5
269.11813	1.0
281.11801	1.4
283.13205	1.8
285.11166	1.8
285.14761	0.9
287.12891	1.6
293.11865	1.0
309.11313	1.2
311.13007	4.3
315.08566	1.1
329.13760	0.9
329.25171	0.9
337.10745	3.2
339.15762	1.2
351.15982	1.4
365.13916	6.0
365.17691	1.3
367.15237	1.4
367.19141	2.2
409.23737	1.2
419.18658	1.0
421.20218	1.3
483.25397	1.2
485.23010	0.9
487.28854	1.5
501.26639	2.0
505.29398	4.5
545.38245	1.7
561.32196	0.9
621.35895	1.0
639.36682	3.6
657.51587	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66236	0.5
55.01873	0.5
61.02896	0.5
66.19675	0.4
66.29698	0.4
69.03416	1.0
70.06593	0.8
70.45805	0.5
71.55282	0.8
78.65022	0.5
80.19041	0.4
80.62992	0.4
81.03394	0.7
85.02901	2.1
91.05480	0.6
97.02919	1.1
107.04962	2.9
119.04951	0.7
121.02839	1.1
121.06501	0.6
123.04424	1.7
127.03942	0.8
135.04375	0.6
137.05963	0.7
141.01828	0.5
147.04385	0.5
149.06004	0.9
151.03893	0.7
163.64075	0.5
167.07050	100.0
177.05478	9.3
181.08633	1.7
198.07524	0.4
204.34596	0.5
209.08099	41.3
209.27856	0.5
210.08467	0.7
215.07407	0.4
226.22472	0.6
283.11816	14.2
283.14917	1.1
301.12836	20.1
335.72610	0.5
365.83875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02836	1.7
53.03942	4.0
55.01863	5.4
55.05268	1.9
55.05512	27.8
56.93923	1.2
57.03431	4.9
57.07029	1.5
61.02916	2.6
65.03933	1.6
67.05509	23.0
69.03423	5.9
69.07069	8.9
69.88159	6.4
71.04997	4.1
79.05495	25.1
80.42385	1.3
81.03407	8.2
81.07063	25.8
83.04981	4.5
83.08626	16.2
85.02903	4.0
85.06523	2.1
91.05485	24.0
93.07045	14.6
95.04986	4.0
95.08620	8.1
97.02897	3.1
97.06532	3.9
97.09543	2.1
97.10175	32.3
98.20782	1.4
103.05462	11.3
105.07035	20.1
107.04936	4.9
107.08605	17.6
109.02881	2.1
109.06496	4.0
109.10171	7.3
115.05443	5.6
117.07022	34.9
119.08584	14.2
121.06470	3.3
121.10158	4.5
125.09633	23.8
128.06238	2.9
129.07007	16.8
131.04912	2.4
131.08574	22.4
133.06499	5.5
133.10132	4.0
135.08078	6.6
141.07002	5.5
141.40686	1.6
143.08557	8.8
143.10629	1.9
145.06483	10.4
145.10095	9.6
147.08080	3.5
147.11604	2.0
149.09627	4.2
153.09081	2.3
155.08551	9.6
157.06493	3.9
157.10130	4.7
159.08055	2.5
159.11653	3.4
167.08574	3.6
169.10089	8.1
171.08032	2.7
171.11679	6.9
173.13185	1.8
181.10138	3.3
183.11737	2.2
185.13342	2.5
187.11229	1.8
187.14798	7.7
189.11205	13.1
193.12212	1.8
195.11761	2.3
197.13223	9.4
199.11151	1.9
201.12749	1.6
209.13164	1.8
211.13229	1.9
213.12796	2.7
215.14323	40.7
223.11224	2.0
227.12691	18.8
233.15408	2.7
237.16315	1.6
245.13817	1.8
255.13799	1.8
271.16898	4.1
273.14951	2.1
296.97845	1.5
339.14703	1.9
349.21671	8.1
367.22610	14.9
385.23758	10.5
403.25009	4.0
441.26401	56.7
459.27423	100.0
462.29346	1.8
477.28314	12.0
478.28812	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.5
55.01875	13.5
55.05512	25.3
57.03447	16.1
57.07066	4.8
59.05000	1.9
65.03942	3.1
67.05508	52.0
67.94391	1.4
69.03075	3.1
69.03429	33.2
69.07076	9.7
70.26846	5.7
71.01333	3.2
71.05003	9.8
73.02915	7.6
79.05494	43.7
81.03419	100.0
81.07060	41.2
83.04992	22.2
83.08620	22.6
83.50381	1.6
84.70314	1.6
85.02908	26.4
85.06528	6.1
87.04472	1.9
91.05482	44.2
93.07049	28.0
95.04973	29.6
95.08611	14.6
97.02894	28.6
97.06532	10.1
97.10177	10.4
98.97575	1.9
99.04459	6.8
105.07036	23.9
105.18228	1.6
107.04955	18.3
107.08593	19.7
109.02876	14.4
109.06512	6.1
109.10167	24.1
111.04456	13.0
111.08055	9.2
115.03933	3.5
115.05492	2.6
117.07019	7.8
119.04934	2.8
119.08593	23.6
121.06508	5.4
121.10149	12.8
123.04431	6.0
123.08028	3.7
123.11691	3.2
125.05986	3.6
125.08810	2.4
125.09604	10.6
127.03928	11.5
127.11211	1.9
128.06264	2.7
129.05519	2.9
129.06999	8.9
131.08594	11.7
133.06483	5.5
133.10126	11.8
135.04402	4.7
135.08070	4.1
135.11671	8.4
137.05951	3.5
137.09592	3.2
142.07741	3.5
143.08556	3.5
145.10153	8.7
147.08057	3.5
147.11693	14.4
149.09604	7.4
151.03905	1.9
151.11154	1.9
153.05484	2.6
153.12691	3.6
157.10175	10.5
159.11713	3.1
163.11174	7.7
165.08989	3.8
165.12737	5.2
171.11711	1.8
172.69635	2.2
173.04483	7.5
173.05865	2.2
173.09607	3.7
173.11778	5.4
175.11217	13.1
177.12784	2.0
181.12181	2.3
189.11229	3.8
191.10698	6.4
193.12250	29.6
199.06090	3.7
199.13203	1.9
205.12262	2.1
209.11676	9.1
211.13287	38.9
217.07326	1.8
220.04623	1.7
223.13351	2.0
227.12746	11.6
229.07414	1.9
229.14384	15.0
267.09198	2.6
267.15958	14.5
283.15372	5.8
285.17038	7.4
353.16058	1.9
355.22501	2.4
377.55106	1.8
407.23627	2.3
411.27893	1.8
421.25885	9.1
427.19467	2.4
439.26920	10.0
467.72351	2.0
475.26791	4.9
489.20557	2.0
493.28064	6.6
511.29205	2.8
583.30731	2.7
594.02130	1.7
611.29108	1.8
637.31812	6.0
655.33392	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	655.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10916	1.7
58.61893	1.6
71.53574	1.5
71.55015	1.6
71.55418	2.5
90.61485	1.9
91.85762	1.7
117.15096	1.6
224.10957	1.8
225.10326	3.4
253.13290	2.2
406.17188	2.1
418.17703	2.8
433.19928	2.6
447.22018	5.8
459.02368	1.6
460.19113	1.8
461.19556	4.2
475.21506	13.1
476.22034	2.3
477.23438	2.5
503.20938	4.0
510.38065	1.9
535.23035	8.2
547.23328	2.6
549.24475	2.2
562.25787	3.0
563.26129	5.2
578.24921	2.4
594.28131	4.0
595.25250	2.2
607.25952	3.0
609.26984	3.9
622.27905	100.0
623.25873	7.1
627.28125	3.2
637.26215	2.5
638.27142	3.1
655.27197	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09425	0.6
55.01848	1.4
55.05492	2.8
56.96531	0.8
57.03431	1.9
67.05507	6.3
69.03405	2.9
69.07055	1.7
69.37406	4.4
69.74905	0.8
71.04969	0.9
79.05516	4.4
81.03428	9.3
81.07047	6.1
82.36787	0.8
83.04958	1.8
83.08595	1.9
83.59566	0.7
85.02924	3.7
85.06575	0.8
91.05463	2.9
93.07056	4.3
95.04974	3.5
95.08592	2.5
97.02867	3.3
97.06499	1.1
97.10156	1.7
98.21517	1.4
98.97598	0.9
105.07009	3.3
107.04961	1.6
107.08569	2.2
109.02876	1.8
109.10124	2.5
111.04411	1.9
112.73142	0.7
117.07031	1.5
117.26936	0.8
119.08547	2.8
121.06494	1.4
121.10104	2.4
122.62218	0.7
123.18562	0.7
125.09626	1.0
127.03909	1.7
129.06998	1.4
131.08530	2.3
133.06451	0.7
133.10088	1.9
135.11685	0.8
137.06027	0.9
145.04933	1.1
145.10120	1.9
147.04376	0.7
147.11649	1.4
149.09616	1.2
154.95270	0.8
157.10165	0.9
159.11691	1.0
161.01218	0.7
161.09612	1.3
163.06041	1.3
163.11119	1.4
165.09119	1.3
171.11714	0.7
171.60486	0.8
175.11247	0.7
191.10716	1.0
192.48174	0.9
193.12230	2.7
208.13152	1.2
209.11742	2.8
211.13271	3.2
227.12810	1.4
229.14401	1.1
267.15897	1.9
268.16318	1.3
283.15488	1.3
290.79852	0.9
293.12582	1.7
297.12323	1.3
299.11578	1.2
311.13651	3.4
315.10925	1.2
316.11615	1.0
317.12640	10.1
318.13397	6.0
319.10577	8.9
320.11407	1.1
329.06677	1.1
360.10843	1.8
361.11612	100.0
362.12296	7.6
363.08560	0.8
363.12964	1.5
393.14209	14.0
412.20041	1.2
422.26193	1.4
424.16275	1.3
439.18802	1.3
442.17645	1.1
456.18997	2.3
460.18512	3.3
475.26904	2.3
483.17712	17.1
484.18500	3.0
493.28012	1.3
501.18869	3.9
502.19604	10.5
515.20276	1.4
531.22626	0.9
532.20380	1.3
534.22186	2.1
579.25836	11.8
623.24817	99.8
624.25488	3.8
637.32080	1.3
655.27252	63.8
656.27911	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	655.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34055	0.7
53.36553	0.6
55.05394	1.2
55.05624	1.3
57.03542	0.9
67.05280	2.2
67.05678	3.9
69.03263	0.7
69.03574	1.1
69.07220	0.6
70.59390	2.0
79.05199	1.3
79.05694	2.2
81.03092	2.0
81.03622	4.8
81.07263	2.5
83.05112	1.3
83.08336	1.0
83.08794	1.3
85.02645	0.8
85.03089	1.3
91.05705	2.8
93.06624	1.1
93.07271	2.4
95.05197	1.8
95.08771	0.9
97.02542	0.6
97.03098	1.4
99.04639	0.7
105.07277	2.1
107.05142	1.0
107.08798	1.1
109.03056	1.4
109.06751	0.6
109.10414	2.7
111.04638	0.9
117.07224	0.9
119.08047	0.6
119.08788	1.3
120.19846	0.7
121.10346	1.3
125.09893	0.9
127.04131	1.5
129.07176	1.1
133.10352	1.3
137.06233	1.2
145.05324	2.5
145.10390	1.0
146.05989	0.8
147.08423	0.7
147.11955	1.2
149.09853	0.8
162.05518	1.5
163.06410	2.0
163.11430	1.0
188.07205	2.7
193.12628	3.1
209.12131	2.2
211.13680	2.1
213.04350	0.8
227.05949	7.1
227.13112	1.3
229.14653	1.0
267.16354	2.0
268.16785	0.8
271.06506	0.7
293.13095	2.2
299.45560	0.6
301.09888	1.0
301.14133	0.7
311.13657	20.4
315.11539	2.2
316.11899	3.7
317.09308	1.5
317.12500	7.4
318.13327	3.4
319.10605	7.3
319.13977	0.7
320.11597	1.2
343.10925	1.4
359.10452	2.1
360.10825	6.2
361.11600	65.6
362.12112	4.5
367.12625	3.8
379.11887	1.1
393.14224	10.9
407.24261	0.8
421.26147	0.9
422.26672	1.1
439.18997	1.4
442.17535	1.3
456.19022	3.8
460.18292	1.0
475.27246	1.7
476.91687	0.8
483.17615	7.7
484.18356	0.9
500.17395	3.6
501.19095	3.0
502.19461	4.2
532.20038	3.1
548.58008	0.8
551.17987	0.6
579.25830	9.1
593.66998	0.8
623.24780	100.0
624.25000	1.9
637.32214	0.8
655.27283	54.0
656.27600	2.2
673.26825	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	653.3534
Annotation	Withanoside III
Peak:m/z	Relative Intensity
53.03935	13.5
53.59138	4.0
55.01867	11.8
55.05514	40.8
57.03432	18.4
65.03938	7.9
67.05190	5.7
67.05515	78.5
69.03444	24.3
69.07057	18.3
69.64543	26.2
71.04981	16.8
75.90966	3.8
77.63699	4.1
78.07532	3.8
79.05502	79.0
81.03423	100.0
81.07061	73.9
83.04991	37.8
83.08635	23.0
85.02894	27.1
85.06549	9.2
91.05489	81.4
93.07052	77.7
95.04978	40.5
95.08608	40.3
97.02892	21.1
97.06525	11.9
97.10175	6.9
99.04435	6.1
105.07037	62.1
107.04966	18.1
107.08595	25.2
109.02873	13.0
109.06513	12.9
109.10164	24.5
111.04439	9.6
111.08073	15.5
117.07017	16.9
119.08578	40.0
121.06487	10.1
121.10143	16.7
123.11802	4.4
125.09583	6.0
127.03937	11.5
128.06198	6.5
129.05530	7.1
129.06998	26.9
131.08539	21.0
133.06522	5.5
133.10132	19.1
135.08014	5.5
135.11731	6.8
137.06029	4.7
143.08551	8.9
145.10141	15.8
147.08105	7.3
147.11699	37.3
149.09572	6.4
157.10121	12.4
161.13277	7.7
163.11179	9.3
170.91389	4.2
171.11745	22.5
175.11256	10.6
181.12172	4.9
189.12767	12.2
191.10527	5.7
193.12273	42.7
207.13837	25.0
211.13298	36.8
225.14687	4.2
227.12708	6.9
229.14432	5.8
267.15878	23.0
278.96884	4.3
281.17490	64.7
285.17010	13.9
287.16382	8.9
317.05490	3.9
373.31635	4.4
398.26208	10.3
398.80588	4.5
429.21155	6.0
456.30066	13.8
465.84058	4.4
473.29044	81.6
491.30188	23.6
564.35950	4.5
635.34473	30.7
653.33942	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	651.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.1
55.01877	5.4
55.05292	2.9
55.05519	24.2
57.03437	13.6
57.07074	6.0
59.04990	1.9
65.03937	4.4
67.05512	100.0
69.03430	22.2
69.07079	19.5
71.04994	7.7
71.08630	2.6
71.55449	2.1
71.55788	2.7
74.44173	2.2
79.05497	30.9
79.05914	3.0
81.03429	34.2
81.07062	51.1
83.04988	19.1
83.08615	12.9
85.02917	5.1
85.06530	4.0
91.05488	28.7
92.06310	1.9
93.07050	33.1
95.04988	10.7
95.08624	36.9
97.02887	12.1
97.06551	2.9
97.10183	13.2
99.04466	3.4
105.07035	23.0
107.04965	3.8
107.08602	20.8
109.02899	4.3
109.06522	6.0
109.10167	59.0
111.04457	4.4
111.08102	5.6
113.05981	2.2
115.05472	2.0
117.07053	12.6
119.08595	20.8
121.06503	4.5
121.10156	18.0
123.04483	2.9
123.08128	3.0
123.11692	5.3
125.09651	9.6
127.03923	7.9
128.06230	3.0
129.05467	8.5
129.07008	8.3
131.08574	16.2
133.10143	12.9
135.08080	6.8
135.11713	7.7
137.05984	2.4
137.09636	7.2
143.08577	7.9
145.10141	15.2
147.07996	3.1
147.11720	9.7
149.09642	5.4
149.13310	4.6
155.08624	3.6
155.10730	4.2
157.10173	7.9
159.11719	7.2
161.09660	2.7
161.13268	7.8
163.11142	2.5
169.10175	2.0
171.11728	7.1
173.11761	13.5
173.13313	5.1
175.11151	2.4
177.12865	3.1
183.11699	3.6
185.13277	7.0
187.14868	3.1
189.11243	9.8
227.12743	10.8
229.14359	29.5
237.04214	2.1
245.13853	2.4
253.06538	2.0
261.22263	4.9
277.21429	2.0
301.21762	5.1
303.23367	2.8
319.22662	2.9
324.99356	2.1
335.26117	5.3
337.27478	6.2
345.24295	3.6
347.17575	2.2
351.23065	5.3
365.86880	2.5
369.24344	9.0
371.16763	2.7
373.18610	3.8
387.25131	5.8
423.99338	2.2
443.27649	3.4
461.28531	3.4
489.35815	3.4
597.37915	4.4
615.38641	5.6
633.40247	15.9
645.91998	2.4
651.42828	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	651.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.6
55.01873	4.8
55.05515	29.4
57.03433	9.2
65.03927	4.4
67.05511	100.0
69.03433	26.7
69.07066	18.8
69.61835	14.5
71.04991	9.3
79.05497	37.5
81.03429	64.5
81.07065	62.1
83.04980	28.8
83.08633	14.7
85.02904	6.5
85.06505	2.2
91.05487	25.5
93.07052	38.2
95.04962	8.1
95.08613	44.9
97.02888	16.9
97.06549	3.5
97.10165	16.2
98.21465	3.1
99.04479	6.6
105.07032	21.8
107.04952	2.7
107.08604	27.7
109.02891	11.6
109.06528	6.1
109.10165	58.8
111.04445	8.7
111.08117	5.6
113.62888	1.9
117.07035	11.7
119.08580	19.3
121.06458	2.9
121.10136	14.1
123.11723	9.5
125.09637	17.6
127.03920	9.6
128.06241	3.6
129.05484	17.6
129.06981	5.2
131.08565	21.4
133.10143	13.2
135.08072	5.6
135.11697	10.5
137.09656	3.6
139.11174	3.6
143.08572	7.0
145.10135	13.4
147.08012	3.9
147.11679	8.8
149.09628	4.0
149.13264	4.8
153.09193	2.8
155.08566	3.3
155.10699	5.0
156.28387	2.2
157.10129	5.1
159.11717	8.4
161.13246	5.9
167.08682	2.4
169.10176	3.2
171.11676	4.8
173.11746	15.1
173.13234	5.3
185.13260	4.4
185.44301	2.0
187.14899	3.2
189.11238	11.0
189.12770	3.3
190.91881	2.2
195.11642	2.9
197.09593	2.7
197.13344	2.8
213.12759	3.5
217.16003	2.4
227.12729	17.7
229.14328	25.0
245.13799	5.0
259.20572	4.9
261.22144	10.4
263.23807	3.8
301.21594	5.8
335.25900	15.7
337.27417	20.1
351.23169	3.2
356.97919	2.4
369.24164	8.1
371.16931	7.3
373.18604	8.8
387.25351	8.4
404.68564	2.2
405.26599	5.5
443.28339	2.9
461.28979	3.0
469.03256	2.2
489.35602	8.8
507.37015	6.5
597.37427	3.2
615.39026	6.1
633.40137	17.6
651.40826	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	651.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.9
53.71780	1.7
55.01862	5.9
55.05516	29.0
57.03436	11.5
57.07080	2.6
59.05007	3.1
65.03936	2.6
67.05512	100.0
69.03438	32.9
69.07073	15.0
69.19917	18.9
71.04989	6.6
79.05501	35.1
81.03425	48.2
81.07064	56.9
81.34602	1.7
83.04986	26.6
83.08623	14.9
85.02901	5.3
85.06553	3.9
91.05489	28.7
93.07056	35.7
95.04993	8.6
95.08618	42.4
97.02900	17.7
97.06550	4.8
97.10178	17.8
99.04459	6.0
105.07046	21.1
107.04955	3.0
107.08603	27.4
109.02888	9.1
109.06501	4.8
109.09465	3.7
109.10167	55.4
111.04449	8.0
111.08114	3.1
117.07005	14.2
119.08598	20.9
121.06504	4.1
121.10152	12.7
123.08069	4.4
123.11699	6.5
125.09648	13.8
127.03917	7.8
129.05505	13.1
129.07016	7.3
131.08571	16.2
133.06491	4.2
133.10141	15.8
135.08067	5.0
135.11679	9.5
137.09607	4.5
139.11163	2.2
141.06987	2.5
143.08540	6.3
145.06458	4.7
145.10117	12.8
147.08078	2.5
147.11732	9.4
149.09785	2.6
149.13243	5.4
151.11111	2.3
153.06932	2.0
155.08574	4.3
155.10689	2.8
157.06531	2.4
157.10126	7.8
159.08128	3.4
159.11661	10.3
161.09653	3.3
161.13283	6.5
163.14857	3.0
169.10170	5.7
171.11693	7.4
173.11746	18.4
173.13287	7.1
175.11189	2.5
175.14806	2.3
183.11729	4.3
185.09598	2.8
187.14917	4.2
189.11284	13.5
189.12817	3.0
193.10027	2.0
197.13211	2.5
199.14815	2.3
203.10674	2.1
203.14262	2.2
205.75186	1.8
213.12611	2.1
227.12727	11.7
229.14342	27.4
245.13959	2.5
261.22198	4.7
263.23657	2.8
271.20575	2.4
273.22119	2.6
277.21677	3.1
289.21765	2.2
299.14963	4.9
301.21606	4.2
303.23267	4.3
315.23138	2.5
319.22769	1.9
327.23163	3.4
335.25720	11.6
337.27283	11.0
341.24823	2.2
345.20435	1.9
345.24271	2.7
351.23343	3.2
357.24310	2.4
369.24319	13.0
371.17017	4.6
373.18698	4.6
387.25269	6.9
405.26300	4.9
443.27847	3.5
461.28976	4.4
479.30148	5.0
489.35660	5.4
505.34888	3.0
507.36774	5.3
597.37964	5.3
615.39160	7.4
633.39825	18.5
651.40338	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	651.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.5
55.01863	5.3
55.05515	28.7
57.03444	10.6
57.07059	3.0
59.04990	3.3
60.12542	1.9
61.02908	1.9
65.03933	5.4
66.66708	1.8
67.05508	100.0
69.03051	2.4
69.03432	21.8
69.07079	14.5
69.82963	3.6
69.83379	7.6
71.04986	8.2
72.08134	2.0
79.05494	29.0
81.03424	51.2
81.07059	53.8
81.24655	1.9
83.04984	19.0
83.08624	16.6
85.02893	6.2
91.05492	28.0
92.52397	1.9
93.07044	31.0
95.04955	6.7
95.08616	35.1
97.02898	16.7
97.06571	2.7
97.10184	15.7
98.21509	2.5
99.04468	4.6
105.07048	20.3
107.04951	2.6
107.08599	20.5
109.02889	7.9
109.06524	5.6
109.10162	51.2
111.04427	8.0
111.08084	3.3
117.07055	11.4
119.08579	17.8
121.06502	3.1
121.10149	10.5
123.08119	3.3
123.11716	5.2
125.09591	11.8
127.03935	6.3
128.06258	3.0
129.05478	10.2
129.06985	7.2
131.08574	13.6
133.06523	2.6
133.10117	9.1
135.08067	3.9
135.11732	9.5
137.09599	3.7
137.13258	2.1
142.07739	2.4
143.08568	7.4
145.06451	2.4
145.10141	11.2
147.08113	2.4
147.11673	9.2
149.09555	2.0
149.13231	2.9
153.09099	3.0
155.08563	5.3
155.10619	2.5
157.10104	4.3
159.11693	6.4
161.09644	3.9
161.13284	5.5
163.14764	4.7
165.12811	2.1
169.10097	4.6
171.11653	5.8
173.11731	15.4
173.13245	5.2
176.24744	1.8
176.53204	2.0
177.09206	1.8
183.11723	4.4
185.09593	2.8
185.13156	3.2
189.11209	10.7
197.13354	3.1
206.06299	2.1
227.12747	15.5
229.14369	26.2
237.12483	2.0
245.13872	3.4
259.20630	2.5
261.22217	6.4
263.23700	3.8
274.28381	2.0
277.21365	2.7
277.51028	2.4
299.14859	2.8
327.23282	2.7
335.25787	7.3
337.27280	8.6
345.24286	2.9
351.22925	4.5
368.23108	2.1
369.24255	9.0
369.67349	2.3
371.16925	4.0
373.18448	5.7
375.25046	2.9
443.27716	2.7
457.15286	2.2
461.28931	2.7
479.30350	3.7
489.35492	5.4
507.36649	3.2
597.38312	4.4
615.38788	5.2
633.39899	16.9
651.40686	25.8
680.70972	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.3
67.05502	7.5
69.03419	3.0
69.07074	7.0
69.63564	16.4
73.81808	2.7
79.05515	6.2
81.03418	4.1
81.07078	13.5
81.07472	2.8
83.08600	4.4
84.08106	3.2
85.02912	6.9
85.06529	3.5
87.04453	2.3
91.05472	5.7
93.07042	8.5
95.04993	3.8
95.08596	9.3
96.29889	2.7
97.02897	3.3
97.06538	2.3
105.07040	6.0
106.06564	3.7
107.04936	4.3
107.08569	6.7
108.55411	2.4
109.10159	8.4
119.04936	3.6
119.08589	3.7
120.08055	3.1
121.10130	3.9
124.07588	14.4
127.03902	4.0
128.06183	2.9
129.07007	2.9
131.08575	2.8
133.10152	4.4
135.04539	3.1
136.07568	11.0
137.05995	4.8
137.09578	2.3
145.10094	4.1
146.05986	2.6
147.04416	5.6
148.07542	9.6
149.02425	4.1
161.05893	2.7
164.07083	22.2
166.08682	22.3
172.03912	3.2
174.05539	3.6
176.07005	5.5
177.05530	3.8
204.06473	4.0
211.12199	2.6
225.13837	2.6
227.35918	2.8
237.10376	6.1
237.13716	4.7
238.11089	4.3
239.11778	10.3
249.10255	6.3
250.11038	5.9
251.11763	13.0
263.11838	20.0
264.12540	6.6
265.09756	9.2
265.13367	33.1
267.11353	3.6
269.12823	6.3
271.14429	6.4
277.09683	6.4
279.11319	53.9
280.11884	5.7
285.12463	5.1
287.10303	3.7
287.13943	3.8
291.11276	8.2
293.12814	9.7
295.10809	8.6
296.11209	2.6
297.12354	29.8
298.13190	2.9
309.12363	57.0
310.13150	23.1
311.13882	23.6
312.14719	7.7
319.10687	4.3
325.11267	2.8
329.14627	2.7
337.11844	100.0
338.12704	34.5
339.13382	19.6
357.14270	3.2
369.14413	28.1
370.15366	7.6
371.15948	14.0
401.13327	5.0
412.08835	2.8
436.22348	48.6
451.52744	2.6
456.85983	2.8
458.16974	3.0
459.17462	3.1
462.20258	57.5
471.31580	3.0
476.18127	5.0
478.19638	3.6
480.21179	7.6
494.23206	39.0
510.22253	7.7
528.21240	3.1
546.05493	2.6
583.25073	10.5
601.25781	9.5
619.27606	24.1
651.29791	4.6
672.53510	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	651.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93021	0.8
52.74843	0.7
71.06036	2.2
76.69939	0.9
91.05488	1.2
94.06573	1.0
106.06568	1.8
120.08135	1.2
122.06003	2.6
124.07600	12.0
136.07600	12.0
140.07050	0.9
146.06017	3.7
146.09647	2.1
147.04407	1.4
148.07527	5.5
152.07129	1.6
152.10419	0.9
163.49013	0.8
164.07085	24.7
166.08647	23.5
172.03911	2.2
174.05518	3.3
174.09198	1.1
176.07085	6.6
204.06532	2.4
206.08081	2.1
210.11534	1.6
211.12296	2.5
221.10686	1.5
223.12326	1.8
224.13095	1.0
225.10231	1.4
235.12376	2.0
237.10226	8.3
237.13704	4.2
238.11018	6.0
239.11847	9.1
247.12285	1.0
248.09499	3.7
249.10199	8.1
250.11108	5.1
251.11830	12.9
252.12540	2.4
253.13406	3.5
255.11250	1.1
263.11798	17.9
263.14435	1.6
264.12595	2.9
265.09796	7.5
265.13373	35.6
266.10562	1.7
266.14029	2.0
267.11322	3.3
269.10181	0.8
269.12823	5.1
269.15680	0.9
271.14359	4.3
275.11523	1.0
276.09219	0.8
277.09790	9.2
277.12784	1.6
278.10510	3.4
279.11298	44.0
280.11957	3.4
281.12854	3.1
282.13531	1.5
283.10788	1.8
283.14328	2.1
287.13943	2.9
291.11212	7.7
292.11987	2.7
293.12894	9.0
294.13681	1.1
295.10870	4.6
296.11600	2.1
297.12363	24.5
298.13071	3.4
299.13834	1.5
301.11688	1.5
305.14963	1.9
309.12350	49.4
310.13110	22.6
311.13916	28.3
312.14618	5.1
313.15466	3.2
315.13467	2.0
319.10693	7.2
321.12326	2.9
323.10406	1.1
323.15973	2.2
337.11832	100.0
338.12598	27.1
339.13443	21.9
355.13126	1.1
357.14444	1.0
358.15320	1.7
361.02426	1.6
369.09909	1.8
369.14481	25.7
370.15350	6.8
371.16061	12.3
393.51880	0.9
398.14816	1.4
399.15677	2.6
400.16507	2.4
401.13480	4.1
416.16064	1.5
434.16531	2.1
434.21518	1.5
436.16357	1.8
436.22372	45.1
458.17105	4.5
462.20282	53.7
463.20770	1.3
464.21957	1.5
466.19278	0.9
476.18170	5.4
478.19586	1.1
480.21359	4.6
494.23190	32.7
495.20010	1.2
510.22314	1.7
528.22327	1.3
559.25793	4.3
583.25500	10.0
601.26654	6.3
619.27625	17.8
620.28351	1.0
651.29962	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	6.7
56.96565	11.4
68.99783	7.3
69.65617	27.2
70.06592	7.7
85.02899	23.6
87.00853	7.4
98.97609	31.4
109.02903	7.7
111.04380	4.1
116.98622	8.7
119.04932	19.5
121.02875	64.6
129.01820	4.0
131.04898	4.4
131.77409	4.0
145.02867	12.2
147.04449	6.3
158.99683	13.1
159.04483	4.3
159.98215	4.5
163.03911	5.3
175.03914	7.6
177.00667	6.6
179.03322	6.9
187.04012	4.6
189.01883	12.8
191.03392	10.6
195.02975	8.4
201.05545	5.2
203.03445	19.1
207.02853	12.5
215.03497	11.7
217.05023	13.6
219.02925	8.7
221.04512	4.9
227.03571	6.6
229.04979	8.9
233.04300	6.4
245.04544	5.1
251.06891	4.4
255.02972	6.6
263.09723	4.5
265.11081	7.8
268.07269	7.9
274.60278	4.2
279.06509	9.7
281.08008	7.4
283.06042	11.0
283.12363	7.7
293.04535	3.7
293.08197	11.1
294.05173	36.9
295.06061	73.8
295.09378	7.5
296.06567	7.1
297.07571	12.7
307.06046	100.0
307.12003	7.3
308.06702	31.1
309.07501	25.7
313.07144	8.1
317.08038	6.9
319.05957	13.4
320.06763	15.8
321.03763	7.2
321.07510	65.5
322.08353	22.2
323.09140	10.1
325.07083	79.7
329.08322	5.1
333.07642	34.9
334.08276	8.4
335.05554	6.4
335.09161	33.4
336.06229	8.1
337.07086	98.2
337.11136	6.4
339.08679	8.3
345.07550	25.7
346.08429	6.3
347.09152	25.8
349.07080	58.5
349.10840	6.6
351.08673	53.2
355.08197	21.2
359.09036	7.8
361.07114	29.6
363.08655	37.6
365.10208	13.1
367.08209	13.3
373.07120	16.4
374.07452	5.8
375.08691	32.6
377.10400	9.9
379.08139	99.0
385.07156	5.1
387.08731	14.3
389.10245	8.3
391.08109	85.6
397.09213	9.0
401.10327	7.6
403.08011	32.0
405.09726	9.1
409.09244	80.5
415.08160	5.6
419.11099	7.2
421.09244	35.5
427.10446	88.4
427.16345	13.1
429.09579	6.5
433.09604	20.7
445.10736	34.9
445.17368	6.6
451.10342	29.7
457.09460	14.6
463.10165	9.7
469.11221	33.8
475.10254	24.0
481.11093	14.2
493.11499	41.6
495.09473	9.8
511.12354	17.8
513.10284	20.6
523.11926	4.1
525.10236	24.8
535.12170	5.5
543.11127	37.5
553.13385	12.3
561.11462	5.9
567.11243	20.0
574.81610	5.5
579.10992	20.9
585.12427	18.9
591.20813	4.9
597.12567	71.0
615.13593	46.1
631.88757	5.4
633.14130	11.9
651.23236	8.4
662.25543	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	651.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.7
57.03434	3.6
61.02934	4.4
65.03960	3.0
68.99766	4.3
69.03440	2.8
70.06596	11.8
70.71149	3.0
71.18754	6.5
79.05505	3.2
81.03422	4.2
85.02923	28.5
85.73244	2.9
87.00845	5.2
91.05486	4.1
107.04920	3.3
109.02878	3.2
119.04932	13.0
121.02882	66.1
122.69983	3.1
129.10341	3.3
131.04958	4.3
145.02853	8.8
151.03931	3.2
161.02333	4.2
163.03880	3.3
175.03925	5.4
177.01920	4.6
179.03400	3.5
186.22409	2.7
187.03944	6.0
189.01888	18.5
191.03398	9.9
195.02890	5.4
199.03961	3.9
201.05481	4.9
203.03423	18.0
205.05011	4.6
207.02892	10.2
211.04083	4.4
215.03448	9.8
217.05020	9.8
217.13501	2.9
219.03006	4.0
221.04427	6.6
222.88248	3.0
227.03543	5.7
229.05046	9.2
231.02792	3.4
243.02863	3.9
255.02866	8.2
257.04489	6.4
268.07410	3.7
271.06046	3.2
273.04034	4.4
279.06619	8.7
280.07355	4.1
281.07986	6.1
283.05963	11.3
284.06747	3.9
291.06448	6.7
293.08170	10.1
294.05264	46.6
295.06042	67.5
295.09387	4.7
296.06857	7.5
297.07578	13.9
304.07346	3.3
305.08005	3.7
307.06046	95.8
307.09460	5.0
308.06839	28.6
309.04337	4.2
309.07587	23.7
313.07111	6.9
317.08133	8.5
319.06061	12.5
320.06851	10.1
321.03934	5.8
321.07602	54.4
322.08273	23.0
323.09091	10.6
325.07068	74.1
329.07983	4.0
331.05853	3.6
331.09521	4.4
333.07632	29.0
335.05484	4.0
335.09070	32.6
336.06250	10.4
337.07065	97.3
337.11069	6.1
345.07489	12.2
346.08441	9.9
347.09158	35.6
349.07050	50.0
349.10754	4.2
350.07813	6.9
351.08621	42.3
353.06674	4.6
355.08279	13.5
357.07629	5.6
359.09128	8.3
361.07114	24.0
363.08685	19.0
365.10269	28.9
367.08197	11.4
373.07123	18.6
374.07993	6.7
375.08664	48.4
377.10461	9.0
379.08160	100.0
385.07169	11.3
387.08688	10.1
389.10187	13.5
391.08142	56.0
393.09619	6.3
397.09131	11.1
401.10455	11.0
403.08118	48.9
405.09723	18.1
409.09131	31.3
417.09848	3.6
419.11142	11.5
421.09238	48.1
427.10379	43.9
429.09897	4.9
433.09299	35.4
439.10043	6.0
445.11398	50.0
447.10608	4.2
451.10275	50.9
457.09116	21.1
463.10413	5.8
465.12167	4.4
469.11328	58.0
475.10284	26.0
481.11447	9.6
493.11343	79.7
499.12766	5.2
507.09106	8.1
511.12436	32.8
525.03235	5.1
525.10443	50.7
529.13196	3.9
535.12476	6.6
543.11475	54.5
549.10028	6.2
553.13214	7.3
561.10791	5.9
579.11084	16.2
597.12421	72.2
615.13580	56.8
633.14191	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	649.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.3
55.05511	6.1
57.03438	2.5
67.05509	19.9
69.03437	4.7
69.07071	6.4
69.81409	7.8
71.05006	1.7
79.05505	7.9
81.03414	8.4
81.07069	12.5
83.04998	2.2
83.08616	3.3
85.02908	3.1
85.06596	2.3
91.05482	12.0
93.07043	8.1
95.04967	3.1
95.08617	7.1
97.02934	4.2
97.06516	1.4
97.10171	2.5
98.21413	1.9
102.95937	1.4
104.06593	1.3
105.07040	9.3
107.04963	1.7
107.08608	5.5
109.10157	11.1
117.07065	2.7
119.08609	9.0
121.06488	1.7
121.10160	3.3
125.09715	2.3
129.07030	1.8
131.08614	5.7
133.10153	4.5
135.11743	2.2
137.02362	22.1
143.08626	2.9
145.10150	5.9
146.29631	1.4
147.11757	5.2
155.08627	2.7
157.10170	4.7
159.11758	4.8
161.13269	2.4
163.03941	4.8
169.10112	1.4
171.11682	3.7
173.11801	2.2
173.13264	2.0
181.10207	2.1
183.11768	1.9
185.13336	2.7
189.09268	1.7
189.11198	3.0
191.03461	1.7
197.13382	1.9
211.15025	1.4
216.10440	1.5
229.14445	2.7
241.19493	1.7
259.20770	1.6
283.12421	1.4
283.15305	6.3
322.48865	1.6
333.20535	3.2
339.17984	4.1
389.23312	1.8
444.85605	1.6
453.76138	1.5
487.34091	12.9
572.28772	1.8
613.37189	3.0
631.38647	4.1
649.39349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33456	1.4
55.05524	1.5
56.96592	1.9
60.99293	1.5
67.05512	5.3
69.18736	8.4
69.19162	7.3
73.81664	1.6
78.21857	1.5
79.05517	3.7
81.03440	2.1
81.07066	5.4
83.08624	2.2
85.02927	3.3
85.06525	1.7
91.05476	8.5
93.07060	9.9
94.06599	3.6
95.04984	3.5
95.08618	2.3
98.20786	3.1
98.97651	1.6
105.07073	2.0
107.08581	1.5
110.06024	2.1
111.08083	4.6
119.04988	2.9
119.08617	2.2
120.08109	2.2
121.10115	2.8
122.06042	5.8
124.07603	4.0
134.09653	5.9
135.08086	4.1
136.07587	16.8
137.05992	3.6
138.05525	2.5
140.07100	5.4
144.08064	1.9
145.10123	2.7
146.06035	4.1
147.04428	7.1
148.07610	3.6
148.11206	2.0
150.09148	4.2
151.03964	1.6
151.13107	1.6
152.07079	2.7
152.10713	3.0
154.08662	6.5
160.07591	1.7
162.09164	36.8
163.03970	1.9
163.07564	3.4
164.07080	8.6
166.08723	5.4
167.07024	1.9
171.09248	3.8
172.03915	2.1
172.07687	1.8
173.10786	4.5
174.09145	2.3
176.07083	4.7
180.10214	32.5
186.07800	2.3
190.04994	2.0
190.08635	6.1
199.08702	3.1
200.07115	3.1
200.09563	2.7
201.10226	5.4
204.06528	4.9
208.09706	86.0
211.08746	2.0
213.10193	9.5
215.08276	3.9
220.09769	1.9
225.10315	6.9
226.10933	3.6
227.08110	14.7
237.10359	3.3
238.11029	4.5
239.08232	1.9
239.11827	18.1
241.09735	14.9
243.11342	13.1
245.09245	3.6
246.07660	3.9
249.10364	3.3
250.10982	2.2
251.11845	3.6
252.09123	1.7
253.09721	3.2
253.13461	2.3
253.63229	1.7
255.11230	2.7
257.09238	2.5
259.10834	12.3
263.07980	1.8
263.11884	4.7
264.09024	2.3
265.09689	3.8
265.13428	3.9
267.11383	3.4
269.09351	12.2
271.14407	3.3
277.09436	2.5
278.10587	2.2
279.11304	21.8
281.09164	2.2
281.12790	2.0
283.10703	2.1
285.08682	2.7
285.12463	2.3
287.10284	100.0
291.11401	1.9
293.09152	1.9
293.12689	2.9
295.10886	4.5
297.12390	17.6
298.13144	15.4
299.13849	11.7
303.13507	1.9
309.12244	11.9
309.17584	3.9
310.13315	2.5
311.10367	3.7
311.13666	2.3
313.11938	2.1
319.13284	8.9
321.07474	1.7
321.12158	2.2
325.11615	3.4
325.49591	1.8
327.13263	2.0
327.18484	1.9
329.11484	2.9
335.10309	2.4
337.11862	15.3
338.12494	4.0
339.09833	2.3
339.13434	15.4
341.11145	2.6
353.11411	7.6
355.13010	3.1
360.17117	1.9
369.14288	3.9
371.16229	8.3
376.20364	1.9
385.13879	6.6
387.15640	5.9
410.16916	10.7
430.17468	3.0
442.19656	7.0
448.18790	3.1
454.19708	2.1
458.17270	2.9
460.18686	18.9
476.18210	12.8
492.21396	1.7
494.19293	83.5
495.19745	4.9
496.20428	3.0
508.21033	10.7
512.20319	11.5
512.31781	2.0
526.21936	88.7
599.25122	13.2
617.26172	16.7
631.27124	4.0
649.28485	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	649.287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
61.02925	1.5
61.87362	1.4
67.05507	3.9
69.03464	1.9
69.07074	2.1
70.93408	3.5
70.93761	1.7
79.05516	2.3
81.03409	2.2
81.07043	5.0
82.14793	1.6
84.08150	27.4
85.02923	3.6
85.06577	1.9
91.05498	3.2
93.07050	3.3
95.04967	2.1
95.08600	2.9
97.02897	2.3
100.85034	1.6
103.05459	6.5
105.07026	2.1
109.02848	2.2
109.10146	2.3
119.04931	1.9
119.08611	2.0
119.55949	1.4
121.02892	1.7
121.10114	2.2
122.06017	5.8
124.07586	1.6
125.16239	1.8
131.04942	16.6
136.07574	2.4
140.41368	1.5
146.06004	2.0
152.07094	1.7
160.07597	2.0
162.09216	2.1
174.05589	2.2
199.08705	2.0
204.06505	2.0
208.09587	1.8
211.08696	1.6
213.10240	2.3
225.10136	3.1
227.08121	1.6
229.07326	1.6
237.10289	3.4
239.11896	2.8
248.09270	1.6
249.10179	17.8
250.10994	5.1
250.81406	1.4
251.08168	2.5
251.11766	11.8
252.12556	1.8
253.13367	5.6
261.10211	2.1
263.11774	8.8
264.12137	1.6
265.09686	2.4
265.13376	5.2
267.11389	2.2
279.11102	2.1
283.06088	4.2
283.10883	4.3
284.06793	2.3
285.12228	2.7
291.11328	1.9
293.12772	2.5
295.06052	6.4
295.10553	2.3
297.12366	3.2
309.12378	5.0
310.13147	2.1
311.13956	4.5
313.07034	9.2
315.13937	1.9
316.14487	2.5
330.12424	2.4
330.16110	1.8
337.07138	1.9
337.11667	1.7
339.13635	2.5
342.12540	2.2
343.13278	1.6
344.13834	3.0
346.15668	2.2
356.13870	4.1
358.11560	2.0
358.15540	3.9
359.16473	2.6
360.17126	2.0
369.14334	5.2
371.16287	2.0
372.17334	3.0
374.14890	2.4
382.15326	2.5
383.32745	7.4
384.17172	2.4
385.14407	1.7
386.15073	2.5
387.15967	2.9
400.16614	10.5
401.33612	8.6
402.18503	2.1
415.15500	2.7
416.15735	2.1
418.17657	4.5
428.16135	5.1
430.17621	4.2
442.19238	1.9
443.11478	3.5
446.17126	33.0
447.18091	8.1
448.18777	7.7
456.15521	2.7
464.18146	16.1
465.18561	1.7
474.16660	9.0
475.17761	2.4
490.19638	2.2
492.17618	8.6
506.19061	13.4
507.19226	2.5
508.20639	4.4
524.20355	100.0
525.20422	2.4
554.16504	2.1
571.25647	18.6
589.26483	10.2
599.25024	8.5
617.26044	18.6
631.27563	2.4
649.17371	1.8
649.28583	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	649.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99183	0.4
59.19818	0.5
69.18769	0.8
69.19183	3.6
78.68782	0.5
91.05497	0.8
100.22265	0.4
115.02420	0.4
119.01900	0.4
133.03517	1.7
143.01886	0.8
147.04398	0.7
148.93684	0.6
155.01910	1.1
159.05101	0.4
161.06638	0.6
173.03008	1.4
175.04622	0.7
187.04672	0.5
197.10336	0.7
201.06073	1.0
203.05394	1.3
211.04430	0.6
217.05704	0.7
225.13478	0.8
233.10278	0.6
239.11302	1.2
243.14490	1.3
251.11290	6.9
259.07919	0.9
265.13379	0.6
269.12387	8.7
277.09259	0.6
279.11353	1.3
287.13461	4.9
325.14993	6.7
337.12054	0.8
339.13443	0.8
347.09473	1.2
365.10657	2.3
385.74103	0.5
443.22534	5.8
469.18948	0.6
478.20041	0.5
487.21060	28.0
488.21170	0.5
599.25018	0.6
605.27380	1.7
649.26672	100.0
650.26514	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	647.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84050	0.8
53.03955	1.3
53.49601	1.0
55.05510	1.4
57.47953	0.9
67.05504	3.0
69.03427	1.1
69.07071	3.0
71.56021	1.1
76.02261	1.0
79.05508	2.5
81.03414	1.1
81.07066	1.8
83.26594	0.9
85.02917	1.7
86.25049	0.9
91.05493	2.5
93.07049	2.1
94.06570	4.9
95.04969	1.2
95.08614	2.3
97.02936	1.0
97.06564	1.6
105.07049	3.2
107.08628	1.1
109.10145	1.5
110.06083	1.2
112.07652	1.1
116.04993	1.1
122.06046	14.5
124.07633	1.1
127.03974	1.0
133.10101	1.3
136.07576	3.4
140.07092	18.3
144.04471	2.3
145.10139	1.0
146.06036	15.3
147.04471	1.3
149.09602	1.7
150.05522	2.0
158.02730	2.4
161.09634	2.9
162.05527	2.9
170.09666	2.7
172.03941	13.8
172.11288	2.3
173.04739	1.8
174.05518	10.6
175.08723	2.2
184.11237	1.5
187.12254	5.4
187.14847	1.0
191.05809	2.7
193.06432	4.4
198.09186	23.2
199.08995	1.0
200.09212	1.3
200.10948	1.7
204.06575	20.4
206.08160	10.6
211.08815	1.8
212.10773	4.3
213.10272	2.0
214.08734	1.0
215.11816	20.6
225.10298	1.8
226.08714	7.0
227.11858	6.2
229.13361	1.9
231.11314	1.1
240.08731	1.4
241.09740	3.4
241.13496	1.5
242.10518	2.7
243.11320	100.0
255.11363	20.5
256.12167	2.0
257.12851	5.3
265.09787	1.4
269.09323	0.9
279.11554	1.2
283.10883	1.7
285.12366	95.8
286.12833	1.5
301.11838	11.7
302.12762	1.7
303.13419	97.5
304.14127	1.2
313.11801	12.3
331.12991	1.7
337.15503	1.0
345.14505	6.6
355.16766	4.6
383.13013	1.1
397.81204	0.9
412.16406	1.5
415.15289	1.3
428.15961	1.4
429.14377	1.6
430.17770	1.5
455.23352	1.1
456.15790	1.7
471.17957	2.9
474.16516	7.7
489.18893	2.9
492.16949	1.2
506.19147	2.4
543.28748	1.3
555.45587	1.0
597.23370	3.1
611.24445	1.4
615.24500	11.6
629.25708	10.1
647.26538	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	0.9
55.01891	0.5
57.40327	0.3
57.48857	0.3
62.44862	0.3
65.03938	4.9
67.05498	0.5
69.07075	0.3
73.01067	0.3
81.85141	0.3
84.41637	0.3
88.24348	0.3
91.05485	0.4
93.03408	3.6
93.07069	0.3
99.28851	0.3
105.07019	0.3
106.87093	0.3
107.04966	1.3
107.08582	0.3
121.02872	4.4
131.01292	5.9
137.02411	1.7
145.06516	0.3
147.04385	0.4
149.02348	85.7
150.02759	0.5
151.08720	0.4
163.03923	0.9
167.03407	96.0
168.03758	0.6
173.06053	0.3
179.03433	0.3
181.06488	0.5
199.07570	0.6
203.07074	1.1
205.08607	100.0
206.08977	1.3
217.08827	0.3
219.08098	0.5
227.07045	4.7
237.09119	0.9
247.07416	0.4
263.07013	0.5
265.08716	0.7
267.06586	0.3
279.06424	0.4
281.08063	0.5
283.13287	6.0
291.06577	0.5
307.06277	0.5
323.12927	0.5
335.13269	0.4
349.14328	0.4
353.10074	0.5
363.12228	1.3
385.10590	0.5
387.12250	0.8
413.10059	0.4
443.18625	3.4
469.16446	1.0
591.20074	0.6
647.34149	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	645.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32195	1.1
57.07068	1.3
64.85043	1.1
67.05485	1.4
69.07073	1.5
69.86459	2.8
69.86870	2.1
71.08628	1.3
79.05498	1.7
79.12241	1.0
81.07077	2.1
89.06067	1.2
89.99270	1.0
93.07043	1.6
95.08627	1.7
98.21036	2.9
152.68779	1.0
226.63046	1.2
313.27707	1.5
333.20367	5.3
389.23114	6.4
645.47034	100.0
646.47412	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	646.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71767	1.2
53.26052	1.1
70.74790	3.3
71.74039	1.1
115.54669	1.1
127.74126	1.1
137.50760	1.1
145.15190	1.1
145.57310	1.3
215.45163	1.1
248.57179	1.1
300.93274	1.5
391.13885	1.1
401.17661	1.8
403.19690	2.3
416.19995	2.3
417.20975	2.1
418.21494	1.9
429.16818	1.5
431.18536	4.4
433.23978	7.0
444.19104	5.5
445.19751	5.9
446.20703	2.0
459.21814	55.1
460.22495	10.1
461.23325	6.2
473.23441	3.1
487.20712	2.1
519.23468	7.6
531.23865	3.4
546.25739	2.1
547.27155	29.3
563.26306	1.6
574.25653	2.0
576.23401	1.6
591.26208	3.6
606.28406	100.0
607.28333	1.9
646.31342	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	644.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94091	0.5
55.01879	0.6
55.05513	2.1
57.03191	0.6
57.03436	3.2
61.02926	4.9
67.05506	6.9
69.07072	5.2
71.04993	1.2
71.56114	0.9
73.02909	2.3
77.16229	0.6
79.05503	4.2
81.03416	0.9
81.07061	24.4
83.04971	2.0
83.08617	2.4
84.08147	0.7
85.02911	5.4
85.06543	1.7
86.09706	1.0
89.02343	0.5
91.03967	4.5
91.05475	5.2
93.07051	3.2
95.04990	1.3
95.08599	5.0
97.02918	3.1
97.06565	2.7
97.10158	0.6
97.60905	0.6
99.04481	0.6
99.08114	0.9
101.06012	0.6
105.06393	0.5
105.07034	11.6
107.08598	4.1
109.06502	1.9
109.10186	1.0
119.08592	9.4
121.06524	0.8
121.10152	7.8
123.08077	2.1
123.11726	13.2
127.03908	1.8
127.07536	1.1
129.07068	0.8
133.10139	1.4
137.13275	1.2
145.04936	1.3
147.04446	0.8
147.11696	28.7
157.10120	0.9
163.06041	2.2
165.12770	15.7
167.07030	1.6
175.11186	0.7
181.05008	1.2
181.54716	0.5
183.13808	1.3
191.07002	1.3
193.12236	1.6
229.14380	5.2
267.15921	22.6
285.16983	100.0
286.17249	1.3
421.59476	0.6
429.10480	0.6
447.22476	4.6
576.78882	0.6
645.03247	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
60.88607	0.4
71.55753	0.6
79.05508	0.5
81.07037	0.5
85.02913	1.6
90.81302	0.5
95.08615	1.2
97.02901	1.1
107.08604	1.5
107.76688	0.4
109.02901	0.6
109.10181	0.6
121.10183	2.7
127.03944	0.9
131.13831	0.4
135.11705	0.5
179.61604	0.4
215.50949	0.5
221.05190	0.8
230.09097	0.5
245.06369	1.1
251.14996	0.6
253.16588	0.5
259.09668	0.9
289.05371	1.1
289.10764	1.3
295.17468	0.8
301.10779	1.2
319.11584	0.6
379.20676	2.0
397.21588	6.3
439.22952	3.0
483.22034	7.0
541.26190	0.6
559.27258	6.4
601.28314	27.5
602.28546	0.6
645.27289	100.0
646.27716	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	643.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07415	0.4
62.88136	0.4
69.26940	0.4
70.79040	0.4
79.81329	0.5
81.07043	0.4
90.87283	0.4
109.70564	0.5
179.14380	0.5
188.51511	0.4
200.97464	0.6
229.16013	0.5
291.01263	0.5
464.00699	0.4
526.36688	0.4
531.79187	0.4
643.25299	100.0
644.25720	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	643.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.5
55.01881	10.8
55.05515	17.9
57.03442	24.4
57.07068	1.9
57.31711	1.1
65.03944	5.6
67.05512	75.0
69.03432	1.9
69.07075	12.4
69.25002	10.2
71.04985	4.7
77.03931	1.8
79.05501	47.2
81.03426	4.1
81.07065	55.2
83.04981	4.5
83.08620	8.4
85.06563	13.0
91.04913	1.0
91.05490	38.9
93.07053	44.4
93.07636	2.4
95.04980	51.3
95.08616	30.5
97.05995	1.0
97.06522	6.6
97.10184	4.4
99.08118	1.4
103.05501	1.9
105.06391	1.9
105.07041	26.2
106.48380	1.1
107.04958	11.4
107.08604	30.5
109.06526	68.0
109.10166	9.4
111.04455	2.6
111.08085	3.7
113.06017	27.7
115.05475	2.7
116.06183	1.5
117.07026	14.4
119.04918	1.0
119.06083	1.2
119.08592	17.1
121.06516	5.8
121.10165	14.6
123.08087	4.3
123.11732	3.0
125.09644	3.3
128.06216	3.1
129.07010	8.3
130.07800	1.1
131.08575	20.0
133.06506	3.6
133.10144	12.2
135.08066	45.0
135.11697	10.7
137.06001	1.4
137.09625	2.8
137.13196	1.4
142.07750	2.1
143.08577	9.2
145.06462	1.3
145.10141	13.7
147.08063	6.4
147.11697	4.4
149.09634	5.9
149.13295	5.5
155.08597	1.2
157.10136	6.0
159.08081	2.5
159.11699	8.5
161.09615	7.3
161.13245	2.8
163.11224	4.4
165.09122	1.4
169.10106	2.2
171.11746	3.4
173.09659	3.0
173.13268	2.8
175.11124	2.2
177.12720	2.7
179.14398	2.0
183.11691	1.3
185.13316	2.1
187.11249	1.7
189.12749	1.2
199.14796	2.6
201.12753	1.6
217.15895	15.5
219.13803	1.4
223.13145	1.3
227.17958	2.0
237.16467	1.6
245.19060	2.8
249.15005	1.5
255.17447	3.8
261.22150	2.4
272.93866	1.2
273.18518	35.3
275.20172	1.6
277.21790	1.4
291.19562	100.0
292.19934	1.1
293.21198	1.4
309.20572	2.9
335.25824	43.0
347.22159	5.9
365.23312	9.4
369.16519	1.2
545.38342	1.4
607.43298	4.0
625.44617	27.7
643.45514	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	643.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05441	0.9
70.05943	1.2
78.99464	0.3
79.05459	0.6
81.07021	0.7
86.07523	0.3
91.05433	0.4
91.69833	0.4
93.06992	0.5
95.08508	0.5
105.06980	0.6
107.08514	0.7
107.91009	0.4
109.10107	0.5
133.10075	0.6
147.11685	0.5
396.12201	1.4
397.13000	1.5
398.13867	0.7
409.13177	0.5
410.13812	2.3
411.14615	5.2
412.15231	3.5
413.16086	1.6
423.14667	1.6
424.11157	1.2
424.15399	2.1
425.16327	10.6
426.16965	8.0
427.17514	1.9
428.18307	1.2
437.16162	1.2
438.13199	2.8
438.17999	0.8
439.13623	12.5
440.19116	4.5
441.19324	31.0
442.19504	2.2
452.14236	3.4
453.15353	13.2
454.16061	3.4
456.13632	0.4
463.14136	1.1
465.15454	1.2
466.17044	0.5
467.17197	23.6
468.17990	12.8
469.18872	10.6
470.18817	1.2
471.16711	0.5
472.17679	0.7
479.17294	0.6
481.14752	13.1
482.15402	3.3
485.18460	0.6
486.18930	0.5
495.16095	3.7
496.17206	14.6
497.17969	2.5
498.19016	0.6
499.20145	0.6
508.18607	0.4
509.18433	2.2
510.19153	0.5
512.20648	1.1
514.22308	2.0
522.17993	0.7
523.19617	1.2
524.20575	0.5
526.18768	0.5
527.23505	2.5
528.19800	0.5
537.20544	0.5
540.20129	0.6
542.21960	0.7
551.19141	0.6
555.22485	24.5
556.22803	1.1
568.18549	0.6
583.21960	100.0
584.22150	6.1
586.20740	0.6
587.24683	1.7
611.21429	1.8
615.24536	10.4
616.25549	0.8
643.23932	51.5
644.23798	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	642.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90724	2.5
55.05522	16.8
56.95028	2.6
57.03443	3.9
57.07084	30.0
63.57629	2.5
67.05511	36.2
69.07072	19.2
71.08643	21.1
71.54960	4.5
79.05506	20.4
79.05890	2.6
81.07067	43.9
83.04993	7.0
83.08622	14.8
85.10184	10.9
91.05499	14.3
93.07045	24.0
95.04961	5.8
95.08616	35.5
97.06548	6.4
97.10169	8.8
97.31878	2.7
99.08101	2.9
105.07040	8.4
107.08603	11.3
109.10149	11.5
117.07072	4.9
118.51154	3.4
119.08604	7.2
121.06561	3.1
121.10159	8.6
123.11722	7.5
129.05528	4.6
131.08540	6.1
133.10170	5.0
135.11632	4.7
147.11707	2.9
149.13292	9.1
151.11134	3.8
159.11720	4.0
163.11185	3.7
195.13834	8.0
222.23114	3.5
239.23792	6.8
269.17502	10.3
277.21649	4.9
297.24237	3.9
313.27359	26.0
325.27399	5.6
326.27820	8.3
351.25211	7.7
507.40469	100.0
589.47870	5.2
615.75281	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	642.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	5.0
57.07082	31.1
57.50946	1.1
65.62835	1.0
67.05508	3.9
69.07081	5.9
69.17731	10.7
71.08638	28.6
73.06576	9.1
79.05488	2.0
81.07061	3.4
81.23829	1.0
83.08618	5.1
85.10188	17.5
87.04473	6.9
89.06041	100.0
91.05486	2.3
91.07682	1.0
93.07018	2.4
95.04951	1.8
95.08591	3.5
97.10188	6.8
99.11728	2.9
105.07030	2.0
107.07063	2.4
107.08564	1.3
107.95077	1.1
109.10141	2.0
111.11720	3.6
113.13289	2.5
117.09100	6.3
119.08562	1.3
121.10152	2.4
125.13187	1.4
127.14807	1.2
130.08675	2.4
131.07001	1.7
133.08620	54.2
133.10139	2.3
141.16374	1.6
147.11627	1.1
155.17848	1.1
161.05957	1.7
161.11827	1.2
162.06398	2.0
166.92300	0.9
175.09686	1.6
177.11237	19.9
199.59035	1.0
211.24191	2.0
215.02060	1.0
221.13835	4.6
226.66763	1.1
283.17505	2.2
299.29568	5.4
313.23520	1.2
327.19962	1.7
337.27203	2.4
343.31989	2.8
371.22974	1.7
415.25278	3.0
465.28192	1.2
502.63861	1.2
529.39233	1.4
551.62134	1.1
625.48517	4.0
642.44263	1.5
643.24854	1.4
643.41455	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60715	0.6
53.03932	1.1
55.01877	1.2
55.05513	6.5
57.03426	1.5
60.82253	0.6
61.02909	2.6
65.03931	1.1
67.05184	1.3
67.05509	18.1
69.03412	0.7
69.07069	5.7
71.04987	1.2
71.37544	1.0
79.05499	15.5
80.85435	0.7
81.03409	1.5
81.07065	15.7
83.04985	1.5
83.08630	3.2
85.02908	2.0
85.06559	0.8
91.03947	1.2
91.05492	17.1
93.07053	12.1
95.04951	2.8
95.08626	8.9
97.02885	1.6
97.06510	2.3
97.10168	1.9
103.05465	0.8
105.07041	18.6
107.04965	1.8
107.08602	7.5
109.06503	2.5
109.10165	4.9
115.05458	1.8
117.07043	7.1
119.08593	11.2
121.06510	2.2
121.10162	5.7
123.08045	1.5
127.03938	0.8
129.07014	6.8
130.07790	0.7
131.08575	15.4
133.06525	0.9
133.10147	8.3
135.08047	1.4
135.11673	2.2
141.07013	1.8
142.07776	1.1
143.08566	5.7
145.06528	0.9
145.10124	9.6
147.08089	1.8
147.11682	2.4
149.09627	1.3
151.11118	1.1
155.08612	4.3
157.10149	4.6
159.08133	0.9
159.11716	4.5
160.61057	0.8
161.13266	1.0
163.11238	1.2
167.08580	1.2
169.10129	2.2
171.11729	3.4
173.13293	2.2
181.10188	1.9
183.11734	2.3
185.09589	0.9
185.13266	2.7
187.14867	1.8
195.11752	2.0
197.13260	0.9
199.11253	0.8
199.14868	1.2
205.12361	0.8
209.13307	1.0
211.14909	1.2
223.14832	1.1
233.15367	1.1
247.17053	1.1
259.16943	0.8
275.20163	1.5
276.20480	1.3
325.25336	1.1
335.23856	1.4
343.26398	1.5
349.23560	0.9
353.24744	4.3
371.25806	5.5
389.26941	4.6
427.28522	1.0
445.29535	100.0
446.30023	3.5
463.30569	20.7
624.42786	0.9
642.44427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01871	1.8
55.05515	5.8
57.03445	1.2
61.02917	2.8
62.50148	0.6
63.53949	0.7
65.79057	0.8
67.05177	1.3
67.05513	17.9
69.07072	6.3
71.04995	1.7
79.05061	1.2
79.05499	15.0
81.07069	16.7
83.04987	1.8
83.08623	4.3
85.02920	1.6
91.04973	1.3
91.05492	17.8
93.07048	16.2
95.04973	2.4
95.08623	9.8
97.06535	2.6
97.10194	0.9
99.20123	0.8
100.25831	0.8
103.05479	0.7
105.07042	18.5
105.22746	0.8
107.04965	2.1
107.08619	8.9
109.06515	2.0
109.10178	5.8
111.08083	1.1
115.05424	1.0
117.07030	10.3
117.96759	0.8
119.08589	12.6
121.06514	2.7
121.10131	4.0
123.08094	1.7
125.09618	1.3
128.06161	1.9
129.07028	6.7
131.08582	17.5
133.06445	1.5
133.10149	7.9
135.08113	1.6
135.11682	2.2
136.04376	0.7
137.09612	0.9
141.07021	2.8
143.08571	7.9
145.10118	10.5
147.08031	2.1
147.11684	3.5
149.09673	2.1
149.13342	1.3
155.08556	4.8
157.10129	5.4
159.11722	4.4
161.09653	1.3
161.13255	1.1
163.11159	1.4
168.09338	1.0
169.10101	1.7
171.11646	3.9
173.13203	1.6
181.10129	1.7
183.11737	3.0
185.13252	2.4
187.14864	1.5
195.11728	2.2
197.13199	1.8
199.14778	1.0
201.16402	0.8
202.72078	0.8
209.13420	1.1
211.14795	0.9
223.14687	1.1
243.17290	0.8
261.18488	1.2
275.20233	1.1
300.25742	0.7
325.25317	1.6
328.34375	0.8
335.23505	1.6
343.26297	2.1
353.24805	4.9
371.25848	6.0
389.26898	7.3
439.14716	0.9
445.29544	100.0
446.29749	2.9
463.30569	27.6
526.63489	0.9
642.29767	1.2
642.43903	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	2.2
53.03949	7.7
55.01876	7.7
55.05515	28.8
57.03436	7.3
57.07074	3.0
59.05006	3.3
65.03938	3.8
67.05510	81.1
69.03434	1.9
69.07074	28.3
70.33491	1.6
71.00219	1.3
71.04999	38.9
71.08630	1.7
73.06561	1.7
79.05499	72.3
79.86719	1.3
81.03430	3.4
81.07064	76.7
83.04990	6.1
83.08620	10.9
85.06563	4.0
91.04630	1.8
91.05487	68.1
93.07055	74.6
94.07385	1.4
95.04990	10.0
95.08614	61.9
97.06550	12.9
97.10177	5.9
99.08103	2.3
103.05460	2.4
105.04553	4.9
105.07043	63.3
107.04974	7.0
107.08606	45.3
107.13676	1.7
108.49598	1.4
109.06521	12.3
109.10163	25.4
111.08084	6.8
113.05999	1.5
115.05515	1.8
117.07031	24.6
119.08598	48.5
120.53409	1.3
121.06496	7.6
121.10154	29.5
123.08100	7.7
123.11733	5.8
125.09638	5.0
128.06265	3.9
129.07007	9.1
130.07799	3.2
131.08591	39.4
131.09534	3.1
133.06497	2.2
133.10136	38.7
133.11095	2.9
135.08044	11.9
135.11711	17.0
137.09627	7.3
139.11223	2.5
141.07033	3.7
143.08556	8.2
145.10130	32.0
147.08083	5.9
147.11710	22.9
149.09663	15.3
149.13289	7.8
151.11201	10.5
155.08598	2.7
157.10158	13.4
159.08078	3.9
159.11711	20.9
161.06003	2.5
161.09711	3.5
161.13283	9.1
163.11217	14.0
163.14857	2.5
165.12811	3.3
169.10143	5.6
170.53648	1.4
171.11719	8.2
173.09637	2.1
173.13277	12.1
175.11256	3.4
175.14879	3.9
177.12804	5.7
179.14328	3.0
182.24435	1.6
183.11761	6.3
185.13254	3.2
187.11256	4.3
187.14864	3.5
189.12708	2.6
191.14456	1.6
195.11615	1.6
197.13321	5.2
199.14874	1.6
201.12883	2.1
201.16396	2.2
211.14948	1.8
213.24980	1.4
227.12796	2.0
227.17836	1.7
227.27365	1.3
229.19530	7.9
229.73708	1.7
231.17480	2.0
239.17944	10.0
241.19720	1.7
243.21289	2.0
247.20627	5.6
257.19019	23.2
261.22247	5.0
271.16998	1.6
275.20084	89.9
276.20270	1.7
277.21738	2.5
289.18405	7.5
289.21683	7.0
291.19720	2.6
293.21170	2.1
305.21375	2.8
307.22760	10.0
309.20428	1.6
331.22830	6.2
335.25858	32.8
340.34592	1.7
349.23859	10.0
349.27606	6.3
355.24466	2.0
363.21555	2.1
363.25497	6.2
397.09512	1.5
510.23587	1.7
543.36670	1.8
609.45093	26.8
623.43170	5.9
641.46820	100.0
642.47052	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	641.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.5
55.01875	13.3
55.05513	61.3
57.03437	13.6
57.07067	6.7
58.90535	2.3
59.04988	2.5
63.76390	2.1
65.03930	5.9
67.01198	2.1
67.05506	100.0
69.03415	7.7
69.06721	3.4
69.07068	40.7
69.17682	19.4
69.18096	5.2
71.04993	20.2
71.08604	2.6
79.05495	95.8
81.03415	7.9
81.06580	4.3
81.07057	88.7
82.70139	2.1
83.04975	12.2
83.08624	26.0
85.06554	5.2
90.94660	2.1
91.05482	91.1
91.26353	2.1
93.07044	78.0
95.04969	16.0
95.08612	57.5
97.02876	3.1
97.06541	16.1
97.10178	27.8
99.08096	3.3
103.05493	2.9
105.04486	3.7
105.07032	74.2
107.04927	9.3
107.08591	48.0
109.06510	11.9
109.10152	27.5
111.04404	3.7
111.08063	8.7
113.05954	2.8
115.05421	4.8
117.07017	37.7
119.08585	65.5
119.63920	2.2
121.06513	4.9
121.10134	31.7
123.08065	7.8
123.11688	9.7
125.09613	26.3
128.06213	5.0
129.07010	23.2
131.08574	46.9
133.06496	3.8
133.10138	43.6
135.08052	11.1
135.11687	17.2
137.09590	7.0
139.11156	3.1
141.06969	7.2
142.07785	3.2
143.08543	19.2
145.10118	39.8
147.08057	5.0
147.11681	32.8
149.09587	7.2
149.13264	8.8
151.11157	6.2
153.09189	2.7
155.08475	12.4
157.10112	22.7
159.08046	4.5
159.11702	29.0
161.09634	4.6
161.13252	26.0
163.07448	3.3
163.11198	6.3
163.14796	3.8
167.08589	6.2
169.10152	13.7
171.10249	4.1
171.11659	19.8
173.09576	4.6
173.13239	14.0
175.11201	6.0
175.14809	10.6
177.12737	4.2
179.08534	2.4
179.14281	2.2
181.10092	9.3
183.11688	13.8
185.09581	3.6
185.13332	11.3
187.11215	4.2
187.14848	6.2
189.11198	13.0
191.14375	2.7
193.10167	3.5
195.11681	8.6
197.13335	15.1
199.14830	10.8
201.12700	3.1
201.16316	2.8
203.14359	2.5
209.13278	8.4
211.14828	5.5
213.16336	4.9
221.13239	3.9
223.11398	2.4
223.13275	9.9
227.12770	22.1
231.17580	3.0
237.16325	5.5
239.17897	6.4
241.19453	12.7
245.18892	2.8
247.20639	3.9
257.19037	13.1
259.20578	33.1
271.20569	2.7
273.18503	8.9
275.20093	34.4
277.21530	3.0
283.20602	2.6
285.22241	4.1
289.17953	4.4
289.21582	4.3
291.19540	66.8
307.22507	3.0
313.21655	3.3
315.23044	4.2
333.24271	23.6
335.25751	10.2
347.22287	3.0
349.23718	6.5
363.26212	7.2
365.23251	23.2
379.30023	7.4
381.27716	7.8
419.28964	2.7
511.34354	2.8
525.35858	3.7
529.35272	4.3
531.38446	6.9
549.38922	6.7
567.40436	5.4
585.62457	2.5
605.42102	13.0
609.44897	6.8
623.28162	5.0
623.43066	63.0
641.45135	45.2
659.62054	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	641.441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02092	2.5
53.03950	10.1
53.76819	2.4
55.01879	15.1
55.05513	40.9
57.03442	17.5
59.05006	2.7
61.90646	2.4
63.35646	2.7
65.03931	7.6
67.05507	100.0
68.99796	4.2
69.03432	7.0
69.07075	33.0
70.03011	2.6
71.04995	8.0
71.08648	3.0
73.37949	2.4
73.61889	2.7
79.05494	73.9
81.03422	7.6
81.07061	85.5
83.04993	14.6
83.08624	19.7
85.06560	7.2
86.09738	3.7
91.05488	82.9
93.07048	75.9
95.04967	24.2
95.08611	60.1
97.02922	4.1
97.06532	13.9
97.10179	8.6
98.20740	7.2
99.08103	5.4
100.11282	12.2
101.11612	2.9
103.05473	4.4
105.07035	70.5
107.04959	16.4
107.08606	48.2
109.06518	17.1
109.10160	41.4
111.04436	4.7
111.08111	11.9
113.06026	10.2
115.05485	6.1
117.07026	32.2
119.08587	46.5
121.06512	13.5
121.10155	25.1
123.08096	6.1
123.11739	7.1
123.52486	2.9
125.06013	4.0
125.09669	8.2
128.06250	6.2
129.07011	21.3
131.08572	46.2
133.06519	6.3
133.10143	52.8
135.08093	12.5
135.11691	14.9
137.05978	3.7
137.09639	6.1
141.07005	6.3
142.07794	4.9
143.08553	20.0
144.73637	2.7
145.10115	36.8
147.08086	11.2
147.11684	25.2
149.09654	7.1
149.13332	5.3
151.11212	9.7
155.07404	3.2
155.08481	13.3
156.09384	4.4
157.10100	24.4
159.08090	8.7
159.11674	25.6
161.09689	9.4
161.13245	16.4
163.11273	7.2
165.12814	3.3
167.08659	8.0
169.10194	12.2
170.10944	3.0
171.11681	24.9
173.09660	7.3
173.13174	15.6
175.11285	4.7
175.14908	7.4
177.12811	3.8
179.10670	3.7
179.14391	4.0
181.10126	6.8
181.12036	2.9
183.11723	11.5
185.13274	14.3
187.11253	4.4
187.14873	5.4
193.10167	3.2
193.12155	3.0
195.11749	6.8
197.13293	13.1
199.11209	5.3
199.14922	6.3
201.16376	3.9
205.15924	3.4
209.13345	7.2
211.14912	6.4
213.16516	5.1
221.13367	5.8
223.14946	4.4
225.16516	3.4
227.12782	3.2
227.18024	4.3
229.09187	3.3
233.15533	4.0
237.16548	4.7
241.19533	14.6
245.19098	4.0
251.18007	4.3
253.14401	9.5
255.17604	3.5
257.19177	5.8
259.14450	3.0
259.20676	24.2
261.18433	3.5
263.20135	5.2
271.17218	4.7
273.18655	11.4
275.20169	7.5
287.20013	2.9
289.18063	21.4
291.19556	18.2
307.19058	3.5
307.44540	3.3
308.27811	2.7
315.23129	2.7
333.24240	15.1
335.25903	8.7
363.22034	7.5
365.23508	10.7
391.30203	3.8
409.31390	9.9
469.33359	3.1
483.34930	5.9
487.33960	15.7
501.35760	27.1
503.38104	3.5
511.34296	2.9
513.37134	6.7
525.35809	3.7
531.38495	8.0
543.37140	7.8
549.39447	10.1
567.40369	5.8
595.41113	5.8
605.42157	9.4
613.44751	4.7
623.43201	51.6
641.45367	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01851	1.6
55.05495	5.2
57.07066	1.3
65.03929	1.9
67.05504	11.2
68.99783	4.2
69.07070	28.4
71.46700	1.7
73.84274	1.2
79.05505	12.7
81.07063	42.8
83.01335	3.6
83.08620	2.9
91.05488	8.6
93.06486	1.7
93.07048	15.6
95.04974	2.4
95.08059	1.8
95.08615	21.3
97.06531	3.7
97.10149	2.0
99.08105	1.4
103.05441	2.7
104.11527	1.1
105.07030	13.8
107.08600	19.0
109.06512	4.0
109.10161	18.0
115.05459	2.2
117.07010	2.4
118.04147	4.5
119.04969	1.6
119.08593	13.5
121.06502	12.7
121.10141	14.1
123.08123	1.4
123.11696	5.4
128.06268	1.2
129.07040	2.3
131.08583	6.5
133.06502	33.2
133.10144	7.0
135.08067	6.9
135.11694	10.1
137.05969	1.5
137.13263	1.6
137.97484	1.2
143.08569	2.3
145.06525	3.0
145.10085	6.3
147.08058	2.6
147.11684	6.6
149.09596	1.5
149.13301	5.9
155.07149	2.6
155.08435	1.8
157.10120	2.3
158.07407	1.3
159.08022	2.1
159.11665	6.3
161.05989	100.0
161.09579	2.5
161.13281	4.3
163.07538	1.4
163.11169	1.7
163.14848	2.1
169.01382	2.3
169.10104	1.4
171.08026	1.5
171.11676	3.0
173.05890	1.5
173.09566	3.0
173.13257	3.4
175.07509	1.9
175.11139	1.9
175.14830	3.2
177.16418	3.2
179.03458	1.5
181.01317	14.5
183.11603	1.8
185.05948	2.9
185.09644	1.8
185.13177	2.6
187.07574	2.3
187.11215	1.7
187.14833	2.1
199.02399	16.4
199.11256	2.0
201.05467	1.9
201.16318	2.1
203.07028	20.5
203.18008	2.2
205.04939	2.0
213.12648	1.6
215.06984	1.9
225.09293	1.3
229.08691	1.9
229.12073	1.4
229.19569	2.0
237.12794	1.4
241.12416	1.8
243.06541	1.5
243.10112	1.3
247.06093	2.6
249.07472	1.5
257.11719	1.5
269.08273	2.0
269.11234	1.5
283.24268	1.4
285.25864	1.4
303.12405	1.4
311.12875	2.4
315.08618	10.0
315.11923	1.7
339.16043	2.1
365.17676	2.3
379.18808	1.6
463.31799	2.4
471.28632	1.3
489.30096	7.2
507.30984	2.3
527.31042	1.4
573.32281	2.3
623.36938	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	641.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.7
55.05503	7.6
57.07068	1.6
67.05516	12.1
68.99789	3.9
69.07071	30.5
70.67848	5.1
75.15086	1.4
79.05490	12.9
81.07060	40.5
83.01357	4.2
83.05019	1.9
83.08596	4.1
91.05486	10.5
93.07040	19.4
95.04948	3.2
95.08611	24.2
97.06512	3.0
99.08075	2.2
103.05445	3.3
105.07034	16.2
107.04983	1.6
107.08598	20.6
109.06515	3.8
109.10156	16.7
111.11690	2.1
112.24637	1.8
113.69156	1.8
117.07048	2.4
118.04174	4.8
119.08587	11.8
121.06505	14.0
121.09427	1.8
121.10155	17.4
123.11694	7.9
129.06940	2.3
131.08559	7.3
133.06505	31.4
133.10126	7.3
135.08051	8.8
135.11696	14.2
137.13281	2.1
143.08556	3.8
145.10123	5.3
147.08090	2.1
147.11691	10.1
149.13318	7.7
155.07097	2.0
155.08559	2.3
157.10168	2.4
159.08061	3.2
159.11670	3.8
161.05980	100.0
161.09616	2.5
161.13245	4.8
163.11128	2.0
171.08109	2.2
171.11745	1.8
173.06012	2.4
173.13237	4.1
175.14854	3.8
177.05502	2.4
177.16365	6.2
181.01343	11.0
183.11661	1.7
185.05963	2.7
185.13275	2.7
187.11111	2.7
187.14825	2.2
189.05530	2.0
189.16362	2.1
195.11699	2.4
197.13269	2.1
199.02373	11.1
199.11140	1.9
201.16592	2.1
203.07033	20.9
213.05434	2.0
215.06873	2.2
217.78865	1.7
229.12263	2.1
229.19499	2.4
233.08081	1.8
247.05978	3.5
253.89607	2.1
283.13455	2.7
287.13190	1.8
311.12753	3.1
313.14529	2.2
313.17938	2.8
315.08719	13.5
315.12003	3.1
339.15976	1.9
365.17532	2.3
407.25815	2.1
463.31870	2.7
487.23959	2.2
489.29843	6.3
529.38879	4.1
543.40143	1.9
623.37054	4.2
641.44336	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	641.354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.9
53.03949	5.5
55.01868	5.3
55.05511	15.1
57.03432	7.5
61.02928	3.6
65.03942	3.9
67.05508	64.3
69.03433	15.9
69.07090	10.4
69.36890	5.8
69.37312	8.9
71.05001	28.5
73.02921	3.7
75.44149	2.0
79.05499	28.1
81.03423	66.7
81.06639	3.2
81.07066	32.1
81.80013	1.7
83.04990	15.4
83.08620	15.4
85.02908	21.1
85.06577	2.2
91.05486	39.2
93.07048	28.0
95.04986	21.7
95.08611	13.1
97.02927	11.8
97.06540	6.8
97.10159	4.6
99.04456	2.8
105.07044	16.2
107.04958	6.2
107.08603	13.2
109.02901	12.2
109.06544	4.6
109.10165	33.0
111.04457	7.4
111.08113	6.2
116.89163	1.7
117.07040	4.9
119.08581	20.5
121.06523	5.6
121.10117	9.5
123.04440	2.7
123.08109	4.4
125.09587	4.3
127.03926	6.5
129.05493	2.2
129.06976	4.6
131.08546	9.8
133.10143	10.9
135.11713	10.5
137.06026	3.3
137.09605	9.7
143.08623	2.5
145.06525	3.3
145.10120	5.0
147.08032	3.1
147.11737	9.1
149.09686	4.6
149.13251	2.3
151.03922	3.3
151.11188	3.3
155.10689	3.5
157.06555	2.1
157.10144	7.0
163.11191	7.3
165.12822	4.0
169.12224	2.0
171.08063	2.2
173.04466	6.3
173.09602	2.7
173.11751	8.2
173.13129	2.3
175.11234	5.4
181.12253	4.1
187.13303	2.2
193.12270	21.1
200.36969	2.1
211.13301	31.0
215.20563	1.7
227.12796	4.7
229.14323	2.8
241.74265	2.1
255.16013	3.6
267.15933	8.4
285.17001	5.1
301.14258	2.9
319.15411	2.2
367.31564	1.9
381.19290	2.6
393.19226	2.5
403.24936	2.4
413.17798	8.3
421.26071	8.8
431.07452	3.9
439.26895	7.3
447.27686	10.3
453.28415	6.9
461.28720	4.6
463.26642	3.5
465.28427	2.8
469.20328	6.3
479.30231	3.4
497.30923	4.7
531.29327	2.0
543.36481	3.3
585.13721	5.8
605.32672	2.1
609.32941	6.2
613.13263	3.6
623.34625	3.4
641.31500	100.0
641.45923	92.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	13.6
56.96558	2.4
69.03448	1.3
70.70921	1.0
71.74501	1.1
72.04523	2.7
73.02921	1.6
74.00678	5.9
76.02225	5.0
78.30740	0.9
80.05025	1.1
81.03426	1.8
81.63479	1.1
82.06588	1.1
83.06105	2.0
84.04511	11.7
85.04030	3.8
86.00638	1.6
90.05554	16.3
91.05480	2.9
92.01712	6.8
97.02895	1.3
98.97598	7.1
99.05576	1.6
100.02213	2.7
107.06062	2.9
107.99402	2.4
109.07640	4.8
113.01719	3.8
116.01653	2.9
116.02390	1.1
116.98603	2.6
117.03413	1.0
119.01965	1.5
119.04951	5.1
123.04414	3.3
124.03956	2.1
126.05526	20.0
127.03957	4.6
127.05039	41.0
128.98615	1.3
129.06541	1.1
130.05006	5.1
131.99402	6.5
135.04433	2.8
135.05473	1.7
136.03934	1.2
139.03229	6.1
139.03987	4.8
139.45306	1.0
140.01653	2.4
140.04213	1.1
141.04761	1.6
141.06584	4.3
142.03189	1.4
144.06583	19.8
145.06094	13.8
147.03342	1.8
147.04411	13.0
148.04761	1.4
151.03909	4.9
153.06622	8.2
154.94113	1.5
155.08176	7.5
158.02719	8.1
158.99634	1.3
159.02267	4.7
159.07690	4.3
163.03923	4.2
163.05287	1.6
170.02763	1.3
170.99690	2.4
172.95297	2.2
175.05342	1.7
176.03784	2.9
177.00656	1.7
177.05429	2.9
179.03401	2.2
181.06113	8.6
185.03830	46.7
187.05458	2.5
189.01598	2.3
191.04865	68.4
193.06442	9.1
199.07156	8.7
201.00702	1.7
202.50470	1.0
214.96414	1.6
216.05638	2.2
219.01843	1.5
223.02072	2.7
225.03615	14.5
231.04379	89.1
233.05782	1.2
237.02837	3.2
245.04704	4.2
249.03670	17.1
253.00128	1.2
261.03064	1.9
265.03189	4.7
270.10760	2.4
271.06042	1.5
271.08990	2.2
276.04657	1.8
287.05341	2.6
302.08051	10.1
305.06903	2.1
322.10559	1.4
336.07022	1.4
354.07831	1.4
383.10550	100.0
384.10870	1.6
389.05243	7.9
389.09680	1.7
423.10147	14.8
449.11884	1.5
479.05020	1.8
494.13907	4.9
512.14807	17.7
552.14197	7.5
623.18207	6.1
641.19415	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	640.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22819	6.4
55.05500	19.2
57.03433	12.1
57.07074	57.6
57.65367	5.5
67.05511	59.1
69.07067	29.9
70.40898	4.9
71.08630	33.0
71.54015	6.5
71.54445	6.2
72.59136	5.3
79.05515	32.1
81.03407	5.8
81.07066	66.7
83.05004	9.8
83.08618	19.9
85.10167	19.5
89.06051	10.5
89.86337	4.9
91.05479	28.1
93.07053	36.0
95.04943	10.1
95.08037	6.4
95.08610	48.5
97.06524	8.3
98.31417	4.9
102.62166	5.4
105.07034	28.9
107.08592	17.1
109.10139	17.3
117.07047	12.8
119.08572	19.6
121.10114	11.9
131.08546	17.7
133.10112	12.9
135.08084	8.6
135.11678	9.1
145.10110	13.2
147.11597	5.9
149.13306	11.5
159.11729	11.0
177.12808	7.1
239.23734	5.1
255.16006	11.1
257.19165	6.7
269.17508	12.4
275.20145	24.5
313.27414	69.2
346.41595	5.6
349.23584	22.5
493.38733	12.2
505.38763	7.4
507.40485	100.0
587.46637	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	640.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.9
53.95704	3.2
55.05509	11.1
56.15528	4.0
57.07070	5.4
59.05015	5.6
64.80384	3.2
67.05515	25.1
69.07074	16.5
71.04993	4.6
71.08617	3.5
79.05499	26.5
80.06257	4.1
81.07059	44.9
83.05019	5.3
83.08619	4.6
91.05492	53.8
93.07049	55.3
95.04962	23.1
95.08612	32.9
97.06555	5.0
101.23606	3.2
105.07034	100.0
106.16100	4.1
107.08600	42.3
108.37503	3.5
109.06561	7.9
109.10176	28.2
115.05461	4.7
117.06301	4.2
117.06999	21.0
119.08591	88.1
121.10150	41.6
123.08086	18.2
123.11707	9.4
128.06245	12.1
129.07021	17.1
130.07825	6.6
131.08572	52.4
132.09366	6.8
133.10138	64.1
134.10954	4.1
135.08080	7.1
135.11739	19.9
137.09596	5.4
138.10408	5.1
141.06979	5.2
142.07784	18.9
143.08583	44.5
144.09340	12.3
145.06488	4.9
145.10130	87.2
147.08026	4.4
147.11700	29.0
149.01826	3.6
149.09630	8.5
149.13301	5.4
153.07022	5.7
155.08519	17.7
156.09331	18.9
156.50034	4.0
157.10144	36.9
158.10905	6.7
159.08080	5.8
159.11713	36.9
161.13315	8.5
165.07056	4.7
167.08611	6.4
168.09328	3.9
169.10127	20.9
170.10936	8.3
171.11728	28.0
173.13298	24.4
175.14830	23.7
179.08572	6.8
180.09293	8.0
181.10124	15.5
182.10918	6.5
183.11649	22.3
184.12416	5.4
185.13258	15.4
187.14864	7.7
191.14299	7.0
193.10103	10.7
194.10977	3.9
195.11699	15.5
196.12521	5.4
197.13239	27.9
199.14867	12.3
201.16412	8.1
207.11731	11.5
208.12418	5.4
209.13235	19.5
211.14842	14.2
213.16382	5.1
215.14230	4.0
221.13266	9.7
222.14120	4.0
223.14832	15.0
224.15640	5.0
225.16438	10.2
233.13205	3.6
235.14769	7.4
237.16522	8.3
247.14940	5.4
253.19402	6.5
263.17947	5.3
265.19504	4.8
289.19467	4.7
296.79031	3.8
311.23856	4.6
338.26041	11.8
344.99402	3.9
345.03976	3.6
373.29047	3.9
430.32336	4.5
476.36548	14.1
568.42688	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	640.318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01863	2.0
55.05511	5.0
57.03438	1.1
57.07059	1.2
61.02911	1.1
65.43817	0.3
67.05500	2.7
69.03431	6.0
69.06725	0.7
69.07073	9.7
71.01360	0.5
71.04997	1.5
71.06526	0.8
71.08628	0.4
73.02916	0.9
79.05499	4.2
81.03426	3.5
81.06589	0.4
81.07064	9.7
83.08624	6.3
85.02911	14.3
85.06542	1.5
87.00835	5.3
91.05482	3.1
93.07052	9.8
95.05013	0.6
95.08611	22.2
97.02891	5.4
97.06522	0.4
97.10171	3.3
99.04460	1.6
99.08102	8.8
105.01869	10.7
105.07027	2.7
107.08601	26.1
109.02888	4.2
109.10169	6.1
111.08074	3.1
113.09666	1.3
117.01810	0.5
119.08546	2.0
121.10148	44.7
123.11717	1.6
125.09631	2.9
125.13308	0.6
127.03924	8.7
133.10143	1.2
135.11691	10.0
137.13263	4.9
145.04955	3.4
147.11693	0.5
149.13252	3.2
159.02910	1.1
171.33850	0.4
175.14798	0.9
177.16394	100.0
178.16695	0.7
189.03896	0.5
195.17450	25.8
213.03967	0.6
213.18509	27.4
214.18817	0.5
231.05016	4.6
249.06093	3.7
303.19156	0.4
371.12207	0.4
393.10498	0.5
402.83691	0.4
425.21555	0.8
433.71027	0.4
440.52905	0.4
579.39893	0.5
650.79773	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.01874	1.5
55.05516	5.5
57.03429	2.4
57.07066	3.3
58.86282	0.8
59.05014	1.2
61.02909	2.0
62.52484	0.7
63.77665	0.8
65.03887	0.9
67.05241	0.8
67.05515	7.8
69.03442	9.8
69.07069	12.6
70.06601	1.1
70.27136	0.8
71.04980	3.4
71.08661	0.8
73.02911	1.8
77.03889	0.7
79.05495	5.4
81.03440	5.6
81.07064	25.8
83.04979	1.5
83.08621	7.9
85.02915	17.3
85.06544	5.0
87.00848	5.5
91.05487	4.9
93.06477	1.1
93.07054	17.4
95.04967	1.6
95.08616	36.3
97.02909	8.5
97.06557	1.0
97.10180	2.5
99.04469	2.0
99.08091	5.3
105.01875	13.7
105.07050	3.8
107.08607	28.3
109.02887	5.8
109.06524	1.4
109.10153	13.9
111.04473	1.0
111.08072	2.3
113.09667	0.9
115.03831	0.8
119.08586	3.7
121.10158	46.3
122.02714	2.9
122.10490	1.0
123.11700	5.4
125.05991	1.4
125.09643	10.7
127.03915	11.9
131.08505	1.3
133.04971	0.8
133.10144	3.4
134.10521	0.9
135.08136	0.9
135.11691	13.9
137.05983	1.3
137.13258	19.2
139.11235	1.0
145.04955	3.5
145.10110	1.0
147.11685	1.4
149.13272	5.0
151.11115	0.9
159.02875	1.4
159.11659	1.3
161.09589	1.3
167.07010	1.1
167.81038	0.8
175.14815	2.2
177.16405	100.0
178.16728	1.3
179.17940	4.1
195.17468	36.7
207.06636	0.9
213.18503	16.7
231.05017	4.8
249.06026	3.4
257.18829	0.8
260.02768	0.8
285.10010	0.9
323.81317	0.9
326.09863	0.9
343.89832	0.9
460.27490	1.2
478.28140	4.6
536.77972	0.9
602.69012	1.1
635.66827	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00204	3.0
53.03940	13.5
54.58844	2.6
55.01873	8.0
55.05307	2.7
55.05517	31.6
56.96561	2.9
57.03439	12.0
67.05513	90.7
69.03433	38.7
69.07075	20.7
71.01356	3.3
71.04994	16.6
71.55592	4.7
73.02898	4.1
79.05497	60.8
81.03427	90.7
81.07066	100.0
83.01364	3.7
83.04977	24.3
83.08641	17.7
84.54660	2.5
85.02905	18.3
85.06529	4.0
91.05486	47.8
92.26122	2.9
93.07057	62.4
95.04971	20.2
95.08620	38.3
97.02907	25.5
97.06525	9.8
97.10164	13.3
99.04450	13.0
105.07046	24.6
107.04993	15.1
107.08615	35.8
109.02892	24.9
109.06528	5.6
109.10164	29.3
110.99386	3.4
111.04455	12.7
111.08071	9.9
117.07023	15.7
119.08588	19.7
121.06509	6.9
121.10191	21.3
123.04435	5.9
123.08063	8.7
123.11725	4.2
125.06016	3.9
125.09664	13.5
127.03917	21.2
129.05505	3.8
129.06985	7.9
131.08571	22.4
133.10130	13.1
135.08075	4.0
135.11716	16.8
137.09666	5.5
143.08614	4.1
145.06493	4.1
145.10136	11.6
147.08060	6.1
149.09776	3.0
149.13271	14.7
153.12761	12.3
155.08577	4.8
157.10159	3.9
159.11725	12.5
161.05962	2.9
161.09653	3.8
162.46204	2.7
163.11230	24.4
171.11560	4.1
173.04475	32.9
173.09555	4.9
173.11765	6.0
177.12758	5.9
181.12256	11.9
183.06480	3.7
191.10738	10.6
195.13843	11.4
209.11751	26.4
211.13226	3.4
227.12781	27.5
229.14410	4.2
269.17505	14.5
273.18558	4.6
275.20151	5.7
283.15491	10.4
285.14832	3.6
286.99197	3.9
291.19476	5.5
339.18243	3.1
353.16141	7.1
395.20630	3.4
412.17694	3.5
423.27246	10.3
459.27313	9.6
477.28540	17.6
495.29385	7.4
621.32611	11.6
639.33667	50.9
639.42639	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	639.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01875	1.1
55.05519	5.3
57.07060	1.3
59.05007	1.2
65.03948	0.8
67.05509	7.0
68.99792	0.6
69.03429	1.9
69.07075	31.4
71.15194	1.0
71.15545	0.6
77.03918	0.7
79.05504	7.9
81.03407	0.6
81.07068	10.7
83.04974	2.6
83.08626	1.9
83.28490	0.5
87.43456	0.6
90.04689	0.6
91.05489	6.4
93.07050	11.4
93.07628	0.8
95.04958	3.1
95.08616	8.4
97.06535	3.3
97.10180	1.4
99.08114	1.0
103.05489	3.0
105.07052	11.4
107.04958	1.9
107.08597	10.0
109.06525	2.3
109.10162	6.2
111.08103	0.7
111.11738	3.9
115.05457	1.5
117.07014	2.2
118.04177	2.7
119.04984	1.2
119.08588	9.0
121.06513	23.3
121.07383	1.2
121.10151	15.1
123.08102	1.6
123.11694	4.2
125.09589	0.6
128.06223	1.2
129.07004	2.6
131.08591	3.9
132.05737	0.7
133.06506	30.3
133.10168	5.0
135.04416	1.5
135.08072	8.7
135.11688	6.6
137.06033	0.8
137.13248	1.4
139.11182	2.9
141.06956	0.8
143.08601	3.1
145.06493	2.0
145.10127	5.3
147.08067	2.5
147.11707	4.5
149.05977	2.4
149.09621	1.0
149.13295	3.6
151.07570	0.8
155.08575	1.4
157.06445	0.7
157.10184	3.5
159.08072	2.5
159.11699	2.9
160.08791	0.8
161.05992	100.0
161.09637	1.8
161.13269	2.0
162.06374	0.7
163.11205	2.0
163.14819	0.7
165.12788	0.6
167.14423	0.6
169.01297	0.8
169.10143	1.8
171.08044	1.4
171.11696	1.9
172.32004	0.7
173.06003	0.9
173.09738	1.3
173.13303	3.1
175.07568	1.9
175.11189	5.5
175.14903	3.0
177.05501	4.6
177.12749	0.8
177.16385	1.9
179.08575	1.0
181.01337	1.4
183.11713	1.5
185.09674	1.1
185.13283	1.9
187.03951	0.8
187.07558	1.0
187.11185	1.6
187.14835	1.9
188.56097	0.6
189.05496	1.7
189.12761	1.1
191.03403	1.4
191.14302	1.6
193.04997	0.7
193.10158	0.7
195.08107	0.8
197.13251	1.3
199.02422	1.7
199.07492	1.0
199.11263	1.1
199.14796	1.8
201.05460	1.0
201.12770	1.3
201.16382	3.5
203.07008	5.8
203.08563	0.7
203.14214	0.7
205.05006	0.8
205.08504	0.7
205.15906	1.6
209.09666	1.0
209.13232	1.2
211.11206	0.7
211.14861	0.8
213.05573	1.1
213.09172	0.8
213.12762	0.8
215.07018	1.7
215.10686	0.9
215.14299	0.7
217.04984	0.7
217.08623	0.8
217.12279	1.0
217.15851	1.2
219.17488	1.1
222.10356	0.6
223.11313	0.8
225.09164	1.4
225.12788	0.9
227.07092	1.6
227.10690	0.9
227.14355	1.2
227.18044	1.0
229.08521	0.9
231.06638	3.5
237.16490	0.6
239.10677	0.9
239.14481	0.9
239.17839	0.9
241.12282	1.1
243.06615	1.2
247.06087	1.3
249.12846	0.8
253.12376	0.8
253.19637	1.1
255.10197	0.8
255.17473	1.1
257.08154	1.4
261.07813	0.7
265.12436	0.7
267.10211	1.2
269.08127	1.7
269.11761	0.9
271.20642	0.9
281.11728	1.0
281.19193	1.0
283.13361	1.1
285.11298	1.2
293.11673	1.3
295.09848	0.8
295.13467	0.8
295.16721	0.7
297.11090	0.7
307.13266	0.7
309.11301	0.9
311.12903	3.6
313.14471	1.1
315.08762	1.3
323.16360	1.1
329.24719	0.6
333.14972	0.7
337.10785	2.4
339.15826	0.7
349.17972	2.2
351.15967	2.9
365.13730	4.0
365.17688	0.9
367.15079	1.2
367.19223	1.9
369.16901	0.9
385.19876	0.9
403.19232	1.0
409.23703	0.7
419.18073	1.0
419.22931	0.8
421.20071	1.7
445.20102	1.2
447.21762	0.8
469.27179	0.7
483.25357	1.3
485.23001	1.3
487.28534	2.5
501.26553	2.8
505.29608	6.0
553.28888	0.9
570.29681	1.7
571.30688	1.7
621.35846	1.8
639.27588	1.1
639.36713	5.5
639.47577	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	639.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50241	1.2
53.03945	9.1
55.01869	6.9
55.05513	17.1
56.96569	1.9
57.03445	10.7
59.04993	2.0
61.02930	2.6
65.03955	2.1
67.05508	29.7
67.05839	2.8
69.03434	16.0
69.07064	10.2
70.06596	1.6
71.04999	7.4
71.55687	2.0
73.02911	2.1
79.05500	29.7
80.06724	1.3
81.03423	100.0
81.07053	34.7
83.04983	21.0
83.08620	20.4
83.82900	1.3
85.02911	24.5
85.06547	2.7
87.04455	1.9
91.04917	1.9
91.05481	37.9
93.07045	19.2
95.04375	1.7
95.04972	26.5
95.08612	12.4
97.02900	16.8
97.06534	8.1
97.10173	6.1
98.97595	1.9
99.04460	5.4
99.08077	1.8
102.26444	1.5
105.04476	1.5
105.07034	28.7
105.07691	2.6
107.04961	9.6
107.08611	11.6
109.02873	20.4
109.06535	5.5
109.10178	7.4
111.04436	12.7
111.08053	8.1
113.06027	1.6
115.05439	1.4
117.07041	5.1
119.04943	2.6
119.08582	20.6
121.02878	2.1
121.06531	4.4
121.10146	11.0
123.04431	3.1
123.08092	2.9
123.11709	4.6
125.09644	4.6
127.03934	11.5
128.06329	2.0
129.05551	1.9
129.07010	12.5
131.04926	2.9
131.08574	14.6
133.06512	2.6
133.10133	12.5
135.08107	3.0
135.11742	3.6
136.88568	1.3
137.06009	1.5
142.07811	2.4
143.08611	1.7
145.06532	1.3
145.10152	4.9
147.04422	6.0
147.08057	5.0
147.11678	16.4
149.09604	6.7
149.13242	1.4
157.10132	13.1
161.05995	2.0
163.11201	5.0
165.12785	4.1
171.08136	1.4
171.11761	2.7
173.04523	3.8
173.09695	1.8
175.11188	13.8
177.05537	2.4
181.12344	3.7
189.05527	1.7
189.09230	1.4
189.11325	2.4
191.10660	3.2
193.12241	41.5
197.13251	1.3
205.12032	1.5
211.13290	65.4
217.12270	1.4
227.12779	6.2
229.14368	1.7
235.13353	1.9
249.14980	3.2
255.13902	1.6
257.15421	1.5
261.18582	1.4
267.09143	2.4
267.15930	22.2
271.06174	3.0
273.14972	2.6
283.05923	8.5
283.15543	2.8
285.10184	2.7
285.17023	11.1
301.14374	4.5
303.31964	1.5
309.17136	1.8
313.16666	1.5
319.15466	1.8
337.10715	1.3
337.16403	3.8
355.17618	4.9
367.22754	1.7
379.85233	1.5
385.23776	5.8
393.19214	2.1
402.17163	1.5
403.24826	2.0
411.19772	6.5
429.21146	3.1
438.18436	2.2
459.27386	11.4
477.28403	13.8
495.29492	12.6
513.30420	3.2
585.30383	3.1
603.31866	2.3
621.32794	9.9
639.23260	3.1
639.33795	53.2
640.34247	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.9
55.01875	5.7
55.05513	18.0
57.03439	9.7
57.07058	1.7
59.05013	1.6
60.86447	1.1
65.03931	2.1
67.05511	29.8
69.03432	16.4
69.07066	10.8
69.30855	3.3
69.31261	8.9
71.01363	1.4
71.04997	9.1
71.16579	1.2
73.25677	1.3
79.05068	2.0
79.05498	27.3
81.03423	100.0
81.07061	34.1
82.04185	1.4
83.04984	19.2
83.08622	24.1
85.02436	1.9
85.02909	24.6
85.06534	3.5
91.05479	31.8
91.73956	1.2
92.05782	1.4
93.07049	22.0
95.04372	1.7
95.04972	32.5
95.08607	10.7
96.54327	1.2
97.02898	15.4
97.06502	6.3
97.10179	6.7
99.04472	4.5
100.64169	1.2
105.04543	2.0
105.07043	24.3
107.04973	11.0
107.08596	10.3
109.02891	19.9
109.06541	5.3
109.10189	5.2
111.04440	14.0
111.08086	11.9
113.06042	2.5
117.07018	3.5
119.08587	20.1
121.06530	4.4
121.10147	13.0
123.04466	3.2
123.08099	1.9
123.11747	2.3
125.09663	5.8
127.03903	9.4
128.06303	1.4
129.05516	1.7
129.06996	11.4
131.04951	1.7
131.08585	13.8
133.06517	5.2
133.10139	9.7
135.08087	3.8
135.11723	4.7
137.09650	2.5
141.07069	1.4
142.07793	3.8
143.08569	1.8
145.10110	6.2
147.04515	1.5
147.08080	5.3
147.11691	16.5
149.05983	2.2
149.09607	6.5
151.11147	1.3
153.12785	3.7
157.06502	1.3
157.10146	12.0
163.11243	5.7
165.12756	4.0
169.10210	1.8
171.11629	1.7
173.04547	2.1
173.05940	1.4
173.09673	1.7
175.11198	16.2
181.12283	4.7
189.11258	2.5
189.12801	1.5
191.10718	5.8
193.12253	44.8
195.11870	1.3
196.47037	1.2
209.11736	2.1
211.13304	65.6
212.13713	1.5
227.12735	6.7
229.14430	2.6
235.13379	2.0
245.40311	1.4
249.14938	2.7
267.09149	1.7
267.15964	20.0
268.16367	1.6
273.15030	2.9
277.14481	1.5
285.17059	13.7
301.14432	4.4
309.17032	2.4
319.15472	2.2
337.16367	2.7
355.17520	6.5
385.23825	4.5
393.18982	3.8
411.20209	7.6
429.21466	3.3
459.27249	10.0
477.28488	12.8
493.06473	1.3
495.29474	15.1
585.30817	1.9
603.31708	2.9
621.32837	14.2
639.33752	45.9
640.33875	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	639.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08838	1.3
69.85472	1.6
71.16125	1.4
120.08127	2.3
150.09134	1.5
175.37207	1.4
195.09189	1.9
209.10707	1.9
210.11473	1.8
222.12840	1.6
223.12408	2.9
224.13087	2.0
225.10445	2.4
225.13925	3.0
237.13963	3.4
238.14346	1.6
239.15399	2.5
266.13965	1.8
267.14862	2.4
277.09930	2.1
293.09155	2.0
325.12079	1.7
325.34009	1.5
326.12573	1.7
357.14304	1.8
368.14301	1.8
382.15817	1.5
389.18732	1.6
403.19409	2.5
417.20859	3.0
418.21597	1.6
429.16797	2.6
431.18631	5.6
433.16190	1.6
433.24142	7.1
435.17749	2.1
444.19629	6.6
445.20282	4.7
447.17856	2.1
448.54517	1.6
449.19974	3.0
459.21832	37.3
460.23239	7.8
461.23453	5.6
464.22318	2.0
465.23282	1.9
470.17419	2.0
473.23483	4.2
487.20734	2.0
493.21872	2.7
519.24188	6.0
520.20990	4.7
547.27271	20.9
551.26581	2.0
553.24677	2.2
561.25452	1.8
564.23499	2.0
579.26184	11.3
580.27094	2.2
591.26154	4.1
593.24213	2.7
595.28387	3.0
596.26398	4.9
606.28418	100.0
607.25305	19.0
610.25470	1.8
611.28680	12.9
621.27130	6.7
622.27710	4.9
624.25891	3.6
639.28088	61.5
640.29175	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41062	0.6
53.03949	6.0
55.01877	6.7
55.05512	18.1
57.03440	9.6
59.04985	0.9
65.03939	1.8
67.05505	25.5
69.03431	16.9
69.07071	9.1
70.87628	1.4
71.01351	1.2
71.04993	8.5
72.96104	0.6
73.02919	1.6
74.35626	0.6
77.03935	0.7
78.04707	0.5
79.05498	27.9
80.05852	1.0
80.85933	0.6
81.03423	100.0
81.07061	32.6
82.03749	0.8
83.04987	18.8
83.08623	21.2
85.02911	23.0
85.06535	3.1
87.04501	0.9
91.05488	33.1
93.07053	20.4
94.27822	0.6
95.01358	0.7
95.04974	28.9
95.08612	10.6
96.40495	0.5
97.02893	15.7
97.06541	6.2
97.10184	7.1
99.04452	5.8
99.08083	1.3
103.03967	0.6
103.05483	1.1
105.07040	32.7
107.04971	10.7
107.08601	11.7
109.02885	17.3
109.03587	1.2
109.06529	6.6
109.10156	5.3
111.04456	13.2
111.08081	8.5
113.06023	2.3
115.05482	1.8
117.07024	4.6
119.04992	1.6
119.08588	18.8
121.02886	1.7
121.06503	5.8
121.10152	10.9
123.04479	1.9
123.08080	4.6
123.11726	3.3
125.02390	0.8
125.06052	0.8
125.09643	3.5
127.03922	9.9
127.04802	0.7
128.06279	1.5
129.05496	2.5
129.07019	13.3
131.04965	1.2
131.08582	12.3
133.06511	4.3
133.10143	14.0
135.04459	0.7
135.08076	2.5
135.11679	3.4
137.05939	1.2
137.09668	2.8
141.07077	0.7
141.16341	0.7
142.07813	2.3
143.08591	1.9
145.05199	0.6
145.06519	1.7
145.10139	4.8
147.04414	1.6
147.08084	3.6
147.11691	17.3
147.14095	0.6
149.05997	1.4
149.09633	6.4
149.13297	1.0
150.47112	0.6
151.07587	1.3
151.11211	1.2
153.09105	0.9
153.12790	2.5
155.08612	1.3
157.10141	12.8
157.11302	1.0
159.08083	1.3
159.11699	1.1
161.05997	1.5
161.09657	4.1
161.13422	0.7
163.11198	6.4
165.05501	1.4
165.12749	5.4
167.07111	0.8
169.10194	1.0
171.11801	0.9
173.04523	3.4
173.05893	1.3
173.09677	1.7
175.07721	0.8
175.11194	13.1
179.10675	3.5
181.12222	2.9
183.06639	0.6
187.07603	0.7
187.11168	0.9
189.09167	1.7
189.11159	1.5
189.12801	1.2
191.10687	3.5
193.12253	42.5
194.63306	0.7
195.11943	0.6
195.13881	0.7
197.09601	0.7
199.11168	1.0
207.10147	1.0
209.11711	1.4
211.13304	60.9
212.13782	0.7
217.12396	0.8
218.56766	0.6
227.12790	5.4
229.14386	2.2
233.15398	1.0
235.13432	1.5
241.12263	0.7
245.15259	0.6
249.14929	1.8
255.13780	0.7
259.13483	0.9
267.09039	0.8
267.15948	18.9
271.06003	3.3
273.15042	2.6
277.14395	1.4
283.06052	3.2
283.15530	2.1
284.06799	0.9
285.10141	1.3
285.17014	12.3
295.06058	5.6
301.14288	4.6
303.16101	0.7
309.17194	1.6
313.07092	3.0
313.16647	1.1
319.15457	2.1
337.07184	1.8
337.16574	3.3
339.23071	0.6
347.18243	0.7
355.17606	4.8
357.24457	1.0
367.22827	2.1
375.18118	1.5
385.23666	3.7
386.01639	0.8
393.19073	2.9
397.09375	1.1
403.24826	1.7
411.20239	3.9
429.21240	1.9
449.29120	0.9
459.27423	9.4
477.28442	12.4
495.29556	13.3
496.29416	0.8
511.29175	0.8
519.16425	1.1
519.29504	1.0
561.30695	0.9
567.29486	1.0
573.30835	1.1
585.30682	2.2
603.31531	3.1
621.20331	1.1
621.32623	9.4
639.33752	34.6
640.33752	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
53.03941	1.2
55.01863	0.8
55.05508	0.7
57.03418	1.2
61.02914	0.9
63.41788	0.6
64.45564	0.6
65.03944	3.4
67.03806	0.5
67.05492	1.2
68.99796	0.9
69.03426	1.2
71.03782	0.5
71.56042	0.9
71.57990	0.6
76.03210	0.5
77.03927	1.1
79.01863	1.4
79.05489	1.4
81.03405	1.7
81.07063	1.3
83.08614	0.6
85.02879	2.1
89.03900	1.9
91.05490	48.5
93.07037	1.2
95.04956	0.8
95.08558	0.9
98.97567	0.7
99.04465	0.8
99.08139	0.6
100.11269	0.7
103.05451	2.4
105.03386	1.2
105.07017	2.0
107.05022	0.6
107.08575	0.7
109.02892	1.3
109.10148	0.9
114.22616	0.6
115.03824	0.5
115.05443	0.6
117.03425	0.9
117.07014	1.3
118.04180	1.1
119.04955	60.9
121.02878	8.2
121.06548	0.7
123.04427	0.9
123.21440	0.5
125.02352	0.5
125.09556	0.6
127.03902	1.2
129.03412	0.9
129.93152	0.6
131.04932	0.7
132.02080	3.0
133.02876	1.1
133.06424	0.7
133.10098	0.7
134.03490	0.6
135.04393	1.0
136.05161	0.6
136.15089	0.6
145.02863	2.9
145.06482	0.9
147.04422	49.7
149.02362	2.1
153.01846	1.6
157.03986	5.8
160.01498	0.9
161.05954	0.6
163.03914	2.5
164.04715	2.0
165.01889	1.7
167.07042	1.3
171.02872	1.1
175.03920	82.0
176.04330	1.3
177.01862	1.6
177.05531	0.6
179.03325	0.8
179.07013	3.7
182.15457	0.6
183.02946	1.2
187.03969	0.9
187.11407	0.6
189.05478	1.1
191.03423	0.9
193.04964	1.4
193.12437	0.7
195.02837	0.7
205.04997	1.1
207.06543	100.0
208.06879	1.4
213.05513	1.3
217.05035	2.5
219.03043	0.9
219.06598	1.0
225.07556	0.7
227.07349	0.8
231.06522	1.1
235.06100	1.2
242.05811	0.7
243.02870	1.2
243.06567	0.8
249.07611	4.0
255.06471	1.2
256.07416	3.1
259.06110	1.4
261.03983	1.1
267.06522	0.8
271.06036	22.6
283.06033	36.9
284.06824	16.3
285.07523	1.8
291.08524	0.7
295.06033	20.1
295.09387	1.1
297.04193	1.1
297.07541	7.2
299.05649	1.3
307.06110	1.7
308.06903	1.5
309.07452	2.7
311.05472	2.3
313.07077	46.1
316.05670	0.6
323.05536	1.1
323.09091	6.3
324.06433	1.0
325.07108	2.0
327.08704	1.4
337.07080	9.8
343.08112	2.0
349.06799	1.2
351.08496	1.3
355.08112	2.2
367.08185	3.7
369.11771	1.8
379.08133	4.1
380.98108	0.7
397.09161	8.6
415.10275	18.7
423.28604	0.7
433.11389	16.6
501.12030	1.9
519.12860	7.7
621.16028	2.6
639.17023	74.4
640.17310	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	639.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21688	0.5
52.42329	0.5
53.03931	1.0
54.30537	0.6
55.01869	0.7
55.05482	0.6
55.34418	0.5
65.03945	4.2
66.82800	0.7
67.05508	1.1
69.03425	1.3
69.30746	4.3
69.31158	1.3
76.03149	0.6
77.03921	1.7
79.01855	0.9
79.05470	1.7
81.03404	1.2
81.07052	1.8
85.02888	2.1
89.03905	2.1
91.05487	49.8
93.07079	0.7
95.04968	1.7
95.08569	1.1
97.02866	1.0
103.05443	1.7
105.03416	1.5
105.07035	1.8
107.04939	1.2
107.08585	0.6
109.02882	0.8
109.10138	1.1
111.04435	0.9
115.05415	0.8
117.03374	0.8
117.06987	1.0
118.04184	0.6
119.04952	65.2
119.08578	0.9
121.02877	8.0
121.06525	0.6
121.32335	0.5
123.04428	0.8
129.03307	0.9
129.04480	0.7
131.04913	1.2
132.02057	2.6
133.02867	0.9
133.06425	0.8
133.10059	0.9
134.03607	1.0
135.04413	1.0
136.05193	1.0
145.02844	3.2
145.06488	1.3
147.04414	56.4
149.02397	2.9
149.05965	0.6
153.01759	0.8
157.03996	5.9
161.06006	1.0
163.03925	3.4
164.04688	0.9
165.01839	2.1
167.03383	0.7
173.06024	0.8
175.03915	82.7
176.04315	1.3
177.01834	1.5
179.07008	4.3
185.06064	0.6
187.03809	1.1
189.01804	0.7
189.05438	1.1
191.03401	0.8
192.04292	0.9
193.04945	1.4
205.04979	0.9
207.06540	100.0
208.06837	1.2
213.05537	1.4
217.04994	3.3
225.07695	0.8
227.07011	0.7
235.06029	1.4
243.02980	0.7
243.06667	1.1
249.07634	4.8
255.06641	1.5
256.07303	2.9
259.06131	1.2
261.04037	0.9
267.06555	1.3
270.05383	0.7
271.03067	1.3
271.06027	26.7
281.08044	0.9
283.06042	33.6
284.06793	14.0
285.07541	1.4
295.06021	23.4
297.07565	8.2
299.05551	1.7
307.06046	1.4
308.06876	2.1
309.07559	3.6
309.10645	0.6
311.05502	2.4
313.07074	47.5
314.07440	1.0
321.07562	1.1
323.05502	1.6
323.09238	5.8
324.06226	1.0
325.07028	2.3
327.08698	1.6
335.05530	0.6
337.07059	10.0
343.08273	1.3
349.07080	1.0
351.08826	1.8
355.08078	1.7
361.07187	0.9
367.08105	5.0
369.11703	1.9
379.08109	5.1
397.09207	8.1
415.10269	18.4
433.11304	15.2
459.26306	0.9
501.11896	1.4
519.12775	8.9
621.16003	1.7
639.17047	74.3
640.17200	2.1
651.13422	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	7.0
58.87088	0.8
67.05515	4.4
69.03429	2.4
69.07071	10.5
70.06569	1.1
70.93951	1.9
71.05005	4.7
72.08152	0.8
76.02229	1.1
79.05515	3.9
81.03416	2.3
81.07069	10.9
82.97003	0.8
83.04988	3.1
83.08622	4.7
84.08158	1.0
85.02918	6.9
85.06538	1.1
85.08523	0.8
86.21712	0.9
87.00826	1.5
91.05485	10.3
93.07047	6.4
95.04939	1.3
95.08613	11.6
97.02898	2.2
103.05493	1.1
105.01860	2.3
105.07037	24.0
107.08599	21.5
109.02888	2.1
109.10166	5.6
115.05515	0.8
117.07050	4.9
119.08591	91.5
121.10176	5.1
127.03870	3.7
131.08600	1.4
131.28114	0.9
133.10136	25.3
135.11693	3.4
137.09583	1.2
145.04951	3.1
145.10098	2.8
147.11714	3.4
153.05461	1.7
161.13275	0.9
163.06046	1.1
173.13280	1.1
175.14838	100.0
176.15198	2.1
193.15897	16.6
199.14751	1.3
201.12743	0.9
203.97514	0.8
233.10194	1.4
247.13335	1.0
301.06677	0.9
375.97641	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	7.0
58.87088	0.8
67.05515	4.4
69.03429	2.4
69.07071	10.5
70.06569	1.1
70.93951	1.9
71.05005	4.7
72.08152	0.8
76.02229	1.1
79.05515	3.9
81.03416	2.3
81.07069	10.9
82.97003	0.8
83.04988	3.1
83.08622	4.7
84.08158	1.0
85.02918	6.9
85.06538	1.1
85.08523	0.8
86.21712	0.9
87.00826	1.5
91.05485	10.3
93.07047	6.4
95.04939	1.3
95.08613	11.6
97.02898	2.2
103.05493	1.1
105.01860	2.3
105.07037	24.0
107.08599	21.5
109.02888	2.1
109.10166	5.6
115.05515	0.8
117.07050	4.9
119.08591	91.5
121.10176	5.1
127.03870	3.7
131.08600	1.4
131.28114	0.9
133.10136	25.3
135.11693	3.4
137.09583	1.2
145.04951	3.1
145.10098	2.8
147.11714	3.4
153.05461	1.7
161.13275	0.9
163.06046	1.1
173.13280	1.1
175.14838	100.0
176.15198	2.1
193.15897	16.6
199.14751	1.3
201.12743	0.9
203.97514	0.8
233.10194	1.4
247.13335	1.0
301.06677	0.9
375.97641	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01866	2.6
55.05509	4.8
57.03437	14.4
57.07079	25.7
58.17303	0.8
59.05009	0.9
61.02929	51.0
67.05505	11.1
69.03432	22.9
69.07072	5.2
70.38988	0.8
71.01343	2.0
71.02972	0.8
71.04978	3.7
71.08238	0.9
71.08633	19.7
71.55470	0.9
73.02921	17.9
73.42210	0.9
73.43575	0.9
75.04460	1.6
79.05492	4.3
81.03419	18.9
81.07063	13.4
83.04978	3.1
83.08621	9.0
85.02908	65.4
85.10186	11.5
87.04475	2.3
87.90488	1.0
91.03960	36.8
91.05463	2.6
93.07034	3.1
95.04956	1.5
95.08609	16.6
97.02893	56.1
97.06482	1.1
97.10178	4.6
99.04455	9.4
99.11705	0.9
101.02383	5.9
103.03952	7.2
105.07063	1.5
107.08559	1.0
109.02889	12.5
109.06510	1.5
109.10170	6.1
111.04433	2.0
111.11722	1.5
111.29351	0.8
115.03949	5.1
117.05479	1.3
117.07037	1.5
119.08605	1.1
123.11703	3.9
126.24738	1.0
127.03927	23.7
129.05467	5.9
129.06931	1.0
137.13292	1.9
141.05388	1.1
141.07074	0.9
145.04971	13.5
159.06517	3.2
163.06068	5.0
168.17773	0.9
169.05023	1.2
171.06560	1.4
183.06511	9.6
201.07611	6.4
209.70259	0.9
239.23676	17.5
257.24768	2.7
305.96249	1.0
313.27371	100.0
314.27789	1.5
341.26880	4.4
355.28412	5.0
367.28613	1.3
383.28061	1.6
385.29419	1.8
397.29474	1.6
421.29306	1.9
439.30542	2.4
457.31461	10.0
462.30673	1.0
475.32697	1.1
512.09259	1.1
559.23279	1.0
637.26172	1.1
637.39764	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50408	0.6
70.37720	1.4
79.52317	0.6
82.28079	0.6
106.63979	0.6
107.11630	0.5
137.32565	0.7
179.73296	0.7
208.10091	0.6
259.73865	0.5
321.24072	0.9
339.25110	7.3
367.28058	0.8
457.85214	0.8
637.50171	100.0
638.50085	2.2
667.67944	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37926	1.2
57.07079	1.6
67.05486	2.1
71.55112	1.8
74.74288	1.4
74.85622	1.6
81.07088	2.9
83.45380	1.4
88.38308	1.7
91.05505	1.7
93.65383	1.4
95.08639	2.4
96.82818	1.3
116.33994	1.7
269.96179	1.4
272.83237	1.6
371.72607	1.6
399.16147	1.5
401.18063	1.6
403.19894	1.8
415.19193	2.4
417.21121	3.2
429.21426	1.5
430.17691	2.0
431.18445	3.5
443.18442	2.5
444.19797	3.0
445.20120	8.9
446.21277	3.0
458.20984	7.4
459.21927	6.6
460.22690	6.4
461.19839	5.3
477.22827	1.9
491.24124	2.5
518.23352	6.8
533.25647	2.4
545.25519	3.2
546.26563	2.9
572.56982	1.7
577.28027	2.7
605.27765	14.9
637.30280	100.0
638.30353	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	637.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	11.5
55.01879	13.2
55.05518	24.6
57.03441	7.8
57.03668	1.3
57.07066	2.2
59.04985	1.8
61.02930	1.6
65.03918	1.6
67.05508	36.6
69.03069	2.0
69.03426	18.4
69.07073	8.4
71.01336	1.5
71.04996	11.0
73.02880	1.6
79.05497	37.4
79.05943	1.3
79.68008	1.4
81.03422	100.0
81.07060	39.4
83.01340	5.5
83.04982	25.2
83.08622	19.7
85.02909	18.5
85.06557	3.1
87.04472	1.5
91.05489	36.0
93.07049	33.4
95.04975	24.2
95.08601	13.7
97.02892	21.6
97.06536	8.0
97.10161	10.6
99.04458	6.0
99.08097	1.8
99.42931	1.3
101.02406	1.4
103.05437	2.1
105.07037	21.0
107.04967	10.3
107.08604	20.4
109.02892	23.6
109.06548	8.2
109.10180	9.5
110.10551	1.8
111.04452	16.3
111.08097	8.4
113.05987	2.2
117.07027	11.4
119.04945	2.1
119.08590	17.9
121.06528	7.1
121.10143	12.3
123.04442	2.7
123.08073	6.0
125.02358	1.4
125.05961	2.3
125.09637	6.3
127.03939	14.5
128.06235	2.0
129.05527	1.9
129.07011	10.8
131.04895	2.1
131.08601	12.0
132.84935	1.2
133.06473	4.1
133.10165	9.5
135.08083	4.1
135.11684	12.0
137.05983	2.6
137.09592	2.5
142.07784	1.9
143.08549	1.5
145.06477	3.5
145.10138	12.1
147.04433	2.8
147.08058	5.2
147.11690	10.9
149.05940	2.4
149.09645	5.3
151.11240	2.0
153.12738	8.7
155.08540	2.9
157.10147	8.1
159.08080	2.1
159.11629	2.1
161.09624	2.4
161.13351	1.6
163.11182	22.9
165.09122	1.6
165.12796	3.1
167.07076	1.6
171.08157	1.7
173.04469	4.9
173.09596	5.0
175.11206	7.6
177.12604	1.7
181.12236	8.6
189.11211	4.1
191.10661	8.0
193.12241	24.7
209.11702	9.5
211.13280	43.6
211.15286	2.6
223.13345	1.8
227.12779	21.5
229.14296	2.6
230.14742	2.1
235.13203	1.6
247.13383	1.4
249.14819	1.5
265.14413	1.8
267.16019	6.7
273.14838	2.6
283.15503	12.2
285.17062	2.4
286.04498	1.6
289.14575	2.1
301.14496	3.8
311.14938	1.7
319.15424	1.6
337.16476	3.1
353.15918	4.1
355.17569	6.3
375.17871	2.1
383.21985	6.2
391.17526	1.4
401.23248	2.9
411.20004	3.2
418.63937	1.4
427.19937	1.7
440.27258	5.1
457.25754	6.5
475.26859	16.5
485.66476	1.6
493.27890	13.3
583.29248	2.0
619.30750	6.6
637.32123	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	637.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06084	1.1
67.05495	2.4
70.84249	2.7
78.23465	1.1
81.07069	2.2
87.21078	1.0
92.18050	1.0
93.07102	1.2
95.08584	1.2
99.94142	1.1
164.16225	1.0
377.17487	1.2
378.18726	1.3
391.19241	2.6
393.20752	2.2
399.15829	1.2
400.17065	2.6
401.17935	5.5
406.21558	1.3
407.22235	3.1
413.17651	4.2
414.18600	5.5
415.19586	9.6
416.18912	1.1
421.20242	3.4
427.19571	2.1
428.19800	3.6
429.21405	8.2
430.21573	2.4
435.21762	2.3
441.16754	1.9
442.17349	1.6
443.18039	3.5
443.22513	4.2
444.19540	4.7
445.20248	3.9
456.19458	1.3
457.20816	6.5
458.20978	4.8
459.17847	1.7
462.82010	1.2
471.22375	9.4
472.23483	5.2
472.28528	1.1
473.19504	5.0
474.20691	1.8
484.19083	1.5
485.19839	3.3
486.20621	7.3
487.21155	3.6
489.22614	1.0
490.19952	3.3
499.21402	11.2
500.21924	3.4
503.24139	4.8
513.19012	1.4
516.21649	2.0
517.22235	4.0
527.20770	3.2
528.21936	1.3
530.23041	1.4
531.24103	14.5
549.24542	2.0
559.23444	98.8
587.22784	18.5
619.25574	100.0
620.25836	2.7
637.26471	9.2
661.55365	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.01867	2.7
55.05505	11.7
57.03440	13.1
59.04998	3.3
61.02934	4.8
65.03934	1.5
67.00516	0.9
67.05508	71.3
69.03416	3.5
69.07074	5.0
71.04640	0.8
71.04996	5.8
71.55186	1.3
73.02902	1.9
79.05493	14.8
81.03423	35.8
81.07060	23.5
83.04980	11.0
83.08624	18.3
85.02908	18.9
85.06547	4.1
91.03951	1.5
91.05491	21.7
93.07058	13.0
95.04977	15.5
95.08616	9.8
97.02895	5.6
97.06519	2.5
97.10184	1.1
99.04456	1.4
99.08117	1.0
105.07040	13.9
107.04948	4.5
107.08599	8.1
109.02898	1.4
109.06513	3.6
109.10163	65.6
111.04436	1.6
111.08099	8.7
113.05994	1.8
115.05441	1.1
116.33297	0.9
119.04959	1.4
119.08576	13.5
121.06492	1.6
121.10133	6.2
123.08049	2.2
123.11706	2.2
125.09652	2.3
127.03941	1.4
129.07016	7.0
131.08580	6.7
133.06488	2.1
133.10149	7.3
135.11638	1.8
137.05930	1.0
137.09589	3.7
142.07838	1.5
145.10126	2.5
147.08034	2.5
147.11705	11.5
149.09650	4.9
155.10666	4.1
157.10133	9.0
163.11140	1.1
165.12790	2.4
173.11737	17.0
175.11179	9.2
181.07524	0.9
193.12262	27.4
211.13301	37.1
229.14363	58.3
241.10690	1.0
267.15918	14.3
277.21609	1.3
285.16977	30.5
298.56793	0.9
335.25552	1.0
353.26978	1.3
414.15567	1.1
421.25858	17.6
438.18951	0.9
439.26941	100.0
440.27167	2.0
584.52802	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.4
53.46285	3.5
55.01863	6.6
55.05508	11.2
57.03435	6.7
57.07087	22.5
57.29295	3.8
61.02923	3.9
65.02283	3.8
65.03935	7.4
67.05502	32.6
67.88344	3.3
68.99793	7.8
69.03432	24.8
69.07051	4.2
69.24406	9.5
69.24826	27.8
71.05009	5.3
73.02882	3.8
79.05490	26.4
81.03400	15.8
81.07072	35.5
83.04986	30.0
85.02900	27.0
85.06550	18.3
90.91615	3.5
91.05490	27.1
93.07053	13.6
95.04972	28.6
95.08592	9.5
95.41713	3.5
95.46424	3.6
97.02857	5.9
97.06531	17.7
98.20789	7.5
105.07033	26.0
107.04953	9.4
107.08581	14.4
109.02887	23.8
109.06524	36.9
109.10152	9.3
111.04472	9.2
113.08640	3.4
117.07011	5.1
119.08565	20.9
121.06516	21.3
121.10093	3.4
123.04411	22.9
123.08068	74.9
125.06002	20.0
127.03916	11.6
127.07559	10.0
128.06175	7.5
129.07024	11.1
131.08592	18.6
133.10150	21.1
135.04439	15.5
135.08067	10.1
137.05992	29.5
139.07584	4.2
142.07813	8.2
143.08537	10.5
145.06493	10.6
145.10132	15.8
147.04434	29.1
147.08057	11.7
147.11673	8.3
149.05962	7.9
149.09535	4.2
151.03911	11.5
151.07541	5.8
155.08577	6.1
157.10141	12.9
159.08112	31.3
159.11742	9.0
161.05949	12.0
161.09657	26.1
163.03883	12.0
163.07542	9.3
165.05441	10.3
165.09114	100.0
167.07039	13.8
167.08516	5.8
167.30650	3.9
169.04994	8.3
169.06381	4.5
171.11697	11.1
173.06059	4.1
173.09669	7.7
175.07545	8.6
175.11171	25.6
177.05507	6.3
177.09073	13.4
184.08875	6.7
185.09619	11.2
187.07541	11.8
187.11166	8.4
189.05461	14.6
189.09100	15.7
189.12740	4.5
191.03465	4.7
191.07048	6.9
193.04944	16.0
193.08577	9.5
193.12186	5.1
199.11177	20.3
203.10687	35.0
205.08585	23.5
211.09639	11.9
215.10645	9.9
217.05032	35.9
217.08604	22.2
217.12189	33.3
221.11757	6.7
223.09691	4.3
227.10696	11.7
229.14383	4.6
231.10040	5.0
233.11739	14.4
235.06068	21.5
235.09642	53.4
235.13290	6.3
245.11739	67.2
253.07030	5.2
253.08005	5.4
253.10706	64.5
259.09610	6.2
263.12833	53.1
277.10696	36.0
283.09607	7.3
289.10538	6.8
301.10693	28.3
305.13803	15.3
319.11673	25.2
337.12842	21.8
365.15851	10.9
389.15906	7.1
407.16873	18.6
500.95645	4.5
603.25476	7.3
638.06372	4.0
651.93591	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	633.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.3
53.03952	4.7
55.01876	3.6
55.05517	19.6
57.03445	5.5
57.07072	2.2
59.05000	3.5
65.03949	4.1
67.05513	100.0
69.03439	29.3
69.03815	1.8
69.07074	12.0
70.54150	1.1
71.04996	5.8
73.02924	1.6
79.05502	34.4
81.03429	24.7
81.07066	43.0
83.04993	7.9
83.08638	8.5
85.02928	3.1
85.06551	2.7
91.05492	32.1
93.07053	32.8
95.04980	10.2
95.08620	26.4
97.02911	5.4
97.06549	3.9
97.10188	5.5
99.04482	2.7
99.08181	1.6
103.05502	1.9
105.07048	21.8
107.04968	4.6
107.08610	17.6
109.02910	4.2
109.06494	5.7
109.10167	54.3
111.04467	5.7
111.08121	4.2
115.05487	2.1
117.07031	10.0
119.04868	1.4
119.08597	21.7
121.06518	2.9
121.10152	14.5
123.04413	1.4
123.08098	2.7
123.11732	2.3
125.09668	4.8
126.73074	1.3
127.03969	3.6
128.06232	4.1
129.07030	7.4
130.07835	1.2
131.05026	2.2
131.08586	15.3
133.06503	2.4
133.10152	13.5
135.08078	4.1
135.11722	7.8
137.09659	4.7
139.11171	1.4
141.07010	3.3
142.07761	2.0
143.08606	7.5
145.06577	2.3
145.10150	11.6
147.08073	2.9
147.11691	9.8
149.09680	4.3
149.13293	3.8
153.06963	1.2
153.09158	1.3
155.08606	3.9
155.10715	2.9
156.09370	1.4
157.06534	1.5
157.10159	8.1
159.08098	2.7
159.11700	10.3
161.09673	2.9
161.13321	4.0
163.07390	1.2
167.08606	2.0
168.09407	1.7
169.10185	4.9
171.08110	2.1
171.11710	6.2
173.09679	2.7
173.11795	14.2
173.13350	5.7
175.11273	3.5
175.14920	2.5
177.09190	1.3
177.12718	1.5
183.11789	4.6
185.09647	1.1
185.13312	3.3
187.11227	2.1
187.14854	2.9
189.09500	1.2
189.11263	4.9
189.12860	3.0
197.13315	4.3
198.61082	1.2
199.11240	1.9
199.14951	2.1
209.13335	2.7
211.11212	2.0
211.14928	1.9
223.14919	1.6
227.12657	2.0
229.14368	17.1
229.16222	1.5
241.19589	1.4
255.17651	1.5
259.20505	1.5
261.18542	1.4
261.22281	1.8
275.20090	1.5
277.21729	4.2
285.22064	1.4
289.21735	2.5
299.15063	3.6
301.21652	5.7
313.21664	1.5
315.23361	3.0
319.22925	3.2
323.23846	1.6
327.23276	2.5
328.22946	1.2
339.23477	1.3
341.25034	2.0
345.24435	2.7
351.23157	5.8
353.24835	1.6
355.17572	3.2
369.24136	8.9
371.26047	1.4
375.25449	1.8
387.25586	5.8
405.26636	1.9
443.28091	4.2
461.29111	5.4
489.36142	1.4
543.37506	1.2
573.38086	1.7
597.37915	6.7
615.39282	7.8
633.39996	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	3.7
57.39165	3.1
62.20063	3.5
63.89788	3.7
67.05505	13.7
69.03428	4.3
69.07084	6.0
70.45538	3.2
71.04986	4.1
71.55729	3.7
75.54146	3.3
79.05498	10.0
81.07055	13.2
83.08617	8.9
88.00716	3.3
91.05476	8.2
93.07044	8.8
95.04953	4.7
95.08618	13.3
97.06474	3.6
105.07034	8.3
107.08574	6.4
109.06501	5.0
109.10175	12.8
117.06987	4.3
119.08567	8.2
121.10194	5.4
133.10114	4.6
145.10052	5.9
147.08081	3.4
157.10175	4.3
175.11467	3.3
183.11598	3.4
221.15355	4.3
289.79745	3.7
334.26755	3.6
353.24078	4.2
529.35065	44.6
533.12189	3.6
633.37195	100.0
633.45966	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	633.4
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45586	1.6
53.03941	5.8
55.01877	3.0
55.05513	20.7
57.03436	5.5
57.07084	2.4
59.05008	2.8
65.03941	4.7
66.47495	1.6
66.76926	1.8
67.05510	100.0
69.03432	25.5
69.07070	11.9
69.49677	9.9
69.50086	3.5
71.04986	4.3
76.04941	1.7
79.05495	27.4
81.03425	16.8
81.07062	43.8
83.04976	6.6
83.08630	11.3
85.02882	3.1
85.06538	4.0
91.05491	34.4
93.07043	27.5
95.04975	8.0
95.08623	24.7
97.02889	4.2
97.06538	5.3
97.10159	5.9
98.20708	2.2
99.04452	3.1
105.07033	21.9
107.04960	5.3
107.08614	17.4
109.02895	3.9
109.06501	6.6
109.10163	56.2
111.04440	4.6
111.08064	5.8
117.07018	12.1
119.08585	23.0
121.06535	4.3
121.10154	14.6
123.08103	3.1
125.09664	4.3
127.03870	2.8
128.06232	2.5
129.07018	7.4
131.08559	14.8
133.06477	2.9
133.10152	13.4
135.08026	6.6
135.11696	7.8
137.09650	5.4
141.07030	1.8
143.08565	9.7
145.06487	3.4
145.10126	11.4
147.08055	2.9
147.11694	8.5
149.09583	4.8
149.13275	4.2
155.08537	5.9
155.10677	2.4
157.10146	5.5
159.08064	3.9
159.11693	8.6
161.09656	2.8
161.13307	4.5
167.08615	2.3
169.10101	5.0
171.11682	6.1
173.11743	13.1
173.13290	6.2
175.11185	3.4
183.11691	3.2
185.13261	4.9
189.11180	2.3
189.12758	2.8
195.11740	2.9
197.13289	2.7
199.11168	2.5
211.14867	2.5
213.12724	2.5
227.12724	2.2
229.14282	17.0
233.15489	2.1
256.26535	3.2
266.71930	1.8
273.22165	2.4
277.21704	2.5
299.14517	1.9
301.21655	7.1
313.21643	2.6
319.22925	3.4
327.23129	4.2
341.24564	3.4
351.23129	6.0
357.23923	2.1
369.24219	7.2
387.25107	6.0
404.27997	3.8
443.27979	5.4
461.29181	5.1
492.37582	4.5
595.30200	1.9
597.37360	5.8
615.38824	4.9
633.40045	41.9
633.50879	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	633.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85135	1.1
55.01843	1.3
61.92029	1.3
66.75859	1.3
67.05496	4.2
69.07065	1.6
71.54700	2.2
79.05511	2.0
80.38197	1.2
81.03436	1.9
81.07037	3.8
91.05460	3.4
93.07044	3.2
94.06599	1.4
95.08647	1.6
97.10458	1.4
105.04427	1.1
105.07006	1.9
109.10162	1.7
119.04968	1.6
120.08131	1.6
121.46258	1.3
122.06025	5.1
136.07559	5.7
146.06041	2.0
147.04402	4.5
172.07634	1.4
174.05374	1.8
174.09239	1.6
182.09758	1.5
199.08682	1.8
213.10205	3.1
225.10225	2.8
226.10962	2.0
227.11824	3.8
235.08601	2.3
236.09557	1.7
237.10222	5.4
239.11783	3.9
249.10213	8.8
250.11014	3.6
251.08546	1.3
251.11813	10.7
252.12587	1.9
253.13350	3.1
263.11914	7.3
264.12616	2.3
265.09860	3.0
265.13364	4.9
266.14041	3.2
269.12921	2.7
279.11194	4.5
281.12906	2.6
283.10776	2.4
285.12192	2.6
287.13943	4.2
296.11469	2.7
297.12430	7.2
298.13318	1.9
309.12250	3.7
310.12964	2.3
311.13971	3.6
330.16006	2.0
337.11664	2.2
341.18939	1.8
344.14047	7.4
344.17593	2.0
356.14020	1.9
357.14670	2.6
358.15494	4.8
359.16174	2.8
369.14914	2.6
370.15143	1.7
371.17026	2.5
372.17142	5.6
373.17941	3.3
386.18723	8.8
387.15799	3.6
388.20456	2.1
404.20065	1.7
414.18137	8.5
432.19260	59.1
433.19894	3.9
442.17676	1.9
460.18777	11.9
492.21344	100.0
493.21603	2.2
508.20401	2.2
573.27069	22.9
601.26782	14.1
633.29712	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	633.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89795	0.3
56.60723	0.3
57.14960	0.4
67.05470	1.2
69.07071	2.1
69.89766	1.3
77.03876	0.4
79.05476	0.7
88.46088	0.4
91.05452	0.6
93.05737	0.4
93.07018	0.5
94.06569	3.7
95.04948	0.9
98.21357	0.5
106.06548	2.2
107.07269	0.6
108.08086	1.6
112.07588	0.8
116.04961	0.4
118.06542	0.8
120.04415	0.8
120.08058	1.4
120.55298	0.4
122.06033	12.5
123.04339	0.4
132.08066	0.4
134.05975	2.4
134.09587	0.4
136.07587	14.4
140.07060	15.0
141.59967	0.4
144.04384	0.6
146.06015	9.5
146.09584	1.1
148.07574	8.8
150.09138	1.0
152.07065	3.9
154.08543	0.4
154.73010	0.4
158.05948	0.5
162.05440	1.1
162.09094	0.5
164.07071	13.7
166.08646	11.5
172.03944	6.8
172.07561	0.5
173.04678	1.1
174.05521	5.4
174.09062	1.0
176.07083	14.7
180.08101	0.5
190.04950	3.1
191.05841	0.9
192.06520	1.4
197.10718	0.7
198.11470	0.7
204.06557	7.5
206.08194	1.9
208.09694	2.1
209.10675	1.8
210.11456	1.4
211.08574	0.7
211.12302	1.7
212.13037	0.9
216.10120	0.7
218.08055	1.0
221.10678	1.3
222.11450	1.1
223.12265	2.2
224.09421	1.6
224.13069	1.0
225.10213	3.2
225.13814	1.6
226.10962	0.6
227.11717	1.3
229.13271	0.7
233.10619	0.5
235.08577	1.4
235.12251	3.2
236.09396	0.8
236.12851	1.8
237.10194	8.5
237.13840	1.7
238.10988	13.0
239.11775	13.0
240.12346	0.4
243.11322	0.5
245.73119	0.4
246.07654	2.5
247.12270	0.7
248.09410	2.8
249.10243	5.4
250.10934	3.3
251.11766	10.9
252.12517	1.3
253.09775	0.7
253.13390	3.0
255.11211	1.2
261.10135	1.1
261.12463	2.8
262.11032	0.9
263.09070	1.0
263.11798	14.5
264.08878	3.0
264.12350	2.0
265.09769	5.7
265.13333	23.4
266.10556	2.0
266.13995	1.4
267.11386	3.8
267.14301	0.6
267.14932	0.5
268.12021	0.5
269.12778	2.0
270.13593	0.8
271.11511	0.6
271.14450	7.3
275.11755	1.6
276.08673	0.5
276.12689	0.4
277.09735	6.0
277.13330	2.5
278.10397	4.3
279.11273	100.0
280.12076	7.8
281.12817	4.0
282.13641	0.8
283.10745	2.4
283.14368	1.6
284.11551	1.2
285.12399	2.3
287.13916	7.8
289.15454	2.1
291.11276	4.8
292.12094	1.4
293.12830	7.1
294.13550	2.2
295.10767	2.6
295.14429	1.9
296.11591	2.6
296.14850	0.4
297.12335	56.8
298.13058	7.1
299.13873	1.8
303.11246	0.9
309.12341	31.7
309.97479	0.4
310.13113	15.4
311.13852	4.5
313.11841	6.9
315.13425	1.2
319.10751	5.8
321.12332	9.8
322.12991	0.5
323.10251	1.5
324.11130	1.8
325.11835	4.2
331.12903	3.1
337.11823	62.7
338.08438	0.9
338.12579	19.5
339.13397	64.0
340.14191	3.6
341.14896	0.7
345.14465	2.9
347.15979	0.9
360.17242	0.5
367.12814	1.2
369.14511	10.3
370.15482	2.7
371.16031	35.6
372.16608	0.8
385.14035	1.6
386.14706	0.8
392.19690	0.9
399.15863	0.5
400.16507	2.2
401.17337	1.2
402.17975	1.0
414.18115	0.7
416.19852	0.7
418.17639	1.5
432.18994	0.7
434.20566	0.7
437.19571	1.1
438.20233	5.4
442.17563	4.2
450.20273	1.5
460.18686	59.4
461.19345	3.7
462.20242	1.5
464.18198	1.5
465.19427	2.0
466.19739	2.4
478.19742	45.6
479.20370	3.7
480.21310	10.4
492.21057	1.3
493.21771	0.7
496.20935	0.9
510.22333	15.3
511.22989	1.2
512.23743	0.6
583.25659	2.6
594.60889	0.4
601.26599	41.8
602.26862	1.1
633.28906	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69193	1.0
63.71456	0.9
69.07054	1.9
70.59624	3.0
72.66601	1.0
108.08193	1.2
108.98108	0.9
122.06007	5.6
134.05983	2.0
136.07590	13.6
138.05487	1.2
140.07072	10.5
146.06029	5.3
146.09624	1.6
147.47562	1.0
148.07579	3.3
152.07079	2.3
155.08627	0.9
162.05556	1.5
164.07071	19.4
164.08412	1.7
166.08611	4.9
172.03951	3.2
174.05481	3.0
176.07118	10.8
198.11494	1.1
203.28348	1.0
204.06557	8.7
206.08127	2.3
208.09695	2.0
210.11510	2.4
211.12280	2.2
216.10338	0.9
223.12315	2.0
224.13124	1.6
225.10179	2.4
235.08757	1.6
235.12401	2.3
237.10231	8.2
237.13867	3.7
238.10960	7.3
239.11833	9.5
247.12155	1.2
248.09531	3.9
249.10208	6.8
250.11023	3.0
251.11774	10.4
253.13344	1.7
254.10384	0.9
255.11375	1.3
263.11813	21.1
264.12634	4.5
265.09814	7.9
265.13361	23.6
266.10547	1.5
266.14081	1.8
267.11276	3.6
269.12753	2.4
271.14432	3.0
275.11880	1.2
277.09726	2.0
278.10526	2.0
279.11298	59.1
280.12054	5.7
281.12869	3.6
282.13641	1.4
283.10776	1.2
285.12350	2.2
287.13898	4.2
289.15488	1.6
291.11191	6.5
292.12170	1.1
293.12827	6.6
294.13483	1.7
295.10703	1.8
295.14395	1.7
296.11566	2.6
297.12341	39.8
298.13098	5.8
299.14127	1.0
309.12341	53.1
310.13113	16.5
311.13885	7.4
313.11896	2.9
319.10782	4.0
321.12366	6.5
324.11002	1.3
325.11819	2.4
331.12949	1.4
337.11816	43.8
338.12653	14.8
339.13394	35.9
340.13818	1.1
345.14441	4.1
369.14471	49.5
370.15192	9.6
371.16037	36.4
372.16721	1.8
400.16714	2.7
416.19418	1.3
418.18085	1.2
434.91409	1.1
438.20340	2.3
442.17557	2.0
460.18698	30.0
461.19464	2.9
466.19681	1.5
478.19739	20.1
479.20483	1.8
480.21222	5.0
492.21399	2.4
510.22388	100.0
511.22864	3.3
601.26630	38.0
633.29156	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	631.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01878	2.7
55.05260	2.9
55.05511	29.2
55.05761	3.2
57.07085	15.1
58.87265	1.9
67.05508	50.2
69.03437	28.9
69.07074	26.3
70.84098	4.6
71.04990	5.9
71.08624	9.2
73.96133	1.6
79.02917	1.8
79.05065	3.4
79.05502	44.1
79.05962	3.4
81.07058	73.0
83.04997	18.1
83.08624	23.5
85.06558	12.6
85.10185	6.6
87.04479	2.6
91.05480	10.2
93.07047	50.1
95.04972	4.0
95.08614	58.4
97.06525	8.4
97.10174	19.0
105.07047	6.7
107.04977	3.8
107.08601	30.2
109.10163	28.5
111.04448	48.9
111.08145	1.8
111.11732	6.3
117.07033	2.1
119.08584	6.7
121.06516	2.7
121.10154	59.9
121.11034	3.3
123.08076	2.5
123.11701	16.3
125.05997	8.1
125.09702	2.3
127.07560	3.1
129.05484	100.0
131.08588	5.5
133.10127	5.6
135.08078	2.7
135.11705	38.2
137.09634	2.3
137.11781	1.7
137.13252	11.7
139.07541	5.9
145.10136	3.5
147.11696	3.9
149.09637	2.6
149.13287	7.3
151.14766	4.2
153.09131	4.2
155.14264	3.2
159.11732	3.6
161.13303	1.7
163.14838	6.1
165.16449	2.6
167.10724	3.9
173.13310	3.3
177.16458	4.3
179.17961	2.4
181.12170	2.0
187.14842	1.9
191.17963	4.5
193.19647	2.1
195.17349	2.9
209.18982	2.9
213.25536	1.7
217.19444	4.0
219.21101	67.7
237.22144	71.4
239.23750	5.7
243.21028	9.9
247.24268	6.3
251.20100	2.2
261.22174	15.6
265.25317	3.0
269.21259	2.8
279.23218	39.5
297.20877	2.9
297.24255	59.4
315.25278	4.2
325.27432	2.9
333.26382	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	631.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.1
54.59134	2.7
55.01887	4.7
55.05513	31.9
57.03421	3.0
57.07074	21.5
60.89555	2.6
61.02907	2.7
61.67197	2.6
66.21093	2.4
67.05508	61.0
69.03442	26.0
69.06784	2.5
69.07079	31.9
69.18888	28.9
71.05000	6.5
71.08635	14.7
73.21748	2.3
79.05489	46.0
81.06583	4.6
81.07061	80.2
83.04984	21.7
83.08625	30.9
85.06537	9.0
85.10171	4.7
87.04488	3.9
91.05489	14.7
93.07056	52.6
95.04967	2.4
95.08612	80.9
97.06515	6.9
97.10179	22.1
98.20709	4.7
102.66357	3.0
105.07028	7.8
107.04951	4.0
107.08600	39.6
109.06534	3.1
109.10168	30.5
111.04450	51.3
111.08102	5.5
111.11735	10.2
115.03936	3.2
116.77777	3.4
117.07017	2.8
119.08579	5.8
121.06584	3.1
121.09320	5.4
121.10157	78.2
123.11710	17.8
125.06004	6.5
125.09662	2.6
125.13268	3.5
129.05489	100.0
131.08543	6.5
133.10146	7.6
135.08066	5.7
135.11694	43.0
137.13246	12.5
139.07532	5.7
139.11191	4.0
145.10158	4.9
147.11679	4.2
149.09660	4.9
149.13297	14.2
151.14763	3.9
153.09148	5.7
159.11772	4.1
161.13252	4.4
162.88435	3.5
163.11220	3.2
163.14876	4.0
165.16348	3.8
191.18068	2.5
195.13881	3.5
203.40483	2.7
211.20416	2.7
217.19632	4.8
219.21092	76.9
220.21512	2.9
233.22795	4.1
237.22153	75.9
237.24532	4.7
239.23759	6.4
243.21143	13.2
247.24173	15.3
261.22086	17.2
265.25278	14.2
271.24197	3.5
279.23212	36.3
297.20886	3.9
297.24268	79.4
307.26291	10.2
323.01913	2.9
325.27325	9.2
333.26486	4.6
343.28238	5.0
631.27863	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	631.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	39.0
57.07060	17.6
60.74697	5.1
61.35814	5.1
67.05502	65.6
69.03432	30.0
69.07071	41.1
70.71430	14.7
71.04996	7.5
71.08629	9.5
79.05503	49.2
81.07055	79.6
83.04973	21.3
83.08624	41.0
85.06520	16.3
88.02764	5.2
91.05482	10.5
93.07059	57.7
95.08614	93.6
97.06518	7.5
97.10177	23.4
105.07042	9.5
107.08607	35.1
109.06522	7.8
109.10179	40.7
111.04464	39.7
111.11711	9.2
121.10149	71.1
123.11676	21.6
129.05486	100.0
131.08562	7.4
132.91234	5.9
133.10133	7.5
135.11699	48.1
137.13251	15.2
141.84814	5.8
145.10150	8.1
149.09596	6.9
149.13246	8.2
191.17918	5.3
197.47696	5.7
208.08322	6.4
219.21109	75.4
221.22609	5.9
237.22125	81.3
239.23721	47.9
243.21082	7.3
261.21997	17.7
279.23245	43.9
297.24289	68.3
418.86227	7.8
430.30859	6.9
519.40729	6.9
631.48456	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	631.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.7
56.96560	0.9
65.03918	0.7
67.05506	1.9
69.03436	1.0
69.07069	5.8
71.55625	1.0
79.05473	1.2
80.05018	0.8
81.07040	0.7
85.02905	1.0
91.05495	2.2
93.05806	1.0
93.07051	1.0
94.06580	8.8
95.04971	1.6
97.06567	1.2
103.05483	0.7
105.07037	0.8
107.08614	0.8
108.08156	2.0
110.06100	0.9
112.07623	2.4
116.05005	1.6
116.58909	0.6
117.05759	0.6
118.06567	1.3
119.04916	1.2
120.04540	1.0
120.08126	1.5
121.10211	0.7
122.06035	27.5
123.04448	1.5
124.07603	5.6
132.08160	0.7
134.06053	2.7
136.07579	1.3
140.07072	41.4
144.04454	4.8
144.08066	0.8
146.06023	16.8
147.04420	2.9
147.06778	0.9
148.07640	3.3
152.07072	1.3
152.71497	0.7
162.05511	3.8
163.03915	0.9
163.06258	1.0
167.07112	0.9
169.04976	2.9
172.03946	23.7
172.07652	1.1
173.04723	3.4
174.05511	22.4
176.07086	10.3
182.09724	1.0
184.07361	1.7
184.09920	1.0
186.09181	0.7
190.05002	4.7
191.05727	3.8
192.06508	2.1
197.10796	2.3
198.11559	0.8
199.08719	1.9
199.12361	1.6
201.10243	0.7
204.06577	41.5
206.08139	14.3
206.25101	0.6
209.10860	1.1
210.09288	1.5
211.08762	2.5
211.12367	0.8
212.09441	1.4
213.10304	1.8
214.11005	0.9
215.11652	1.1
221.10635	0.9
223.08696	1.7
223.12265	1.2
224.09494	2.4
225.10243	5.8
226.08716	1.2
226.11035	1.8
227.08386	0.8
227.11797	16.0
227.13908	0.8
235.08722	1.1
236.09506	1.1
237.10205	3.4
238.11098	1.8
239.11839	5.5
240.12477	0.8
241.09790	2.5
241.13411	1.5
243.11224	3.6
249.10316	2.5
250.11215	0.9
251.08267	0.9
251.11766	3.9
252.08716	0.9
253.09756	3.9
255.07503	0.7
255.11456	1.7
257.04489	1.5
261.12250	3.0
263.08215	2.6
263.11700	3.1
264.08987	0.9
265.09781	3.6
265.13397	1.1
267.11304	3.1
269.09726	1.4
269.12866	15.0
271.10733	4.7
277.09772	2.3
278.10565	0.8
279.11346	2.9
280.11859	0.8
283.10806	11.8
284.11551	6.5
285.12366	9.1
286.04776	1.1
287.05368	0.7
287.10867	1.0
287.13910	29.6
288.14868	0.9
291.11334	1.7
295.10907	3.0
296.11688	0.8
297.12332	7.3
300.11761	1.2
301.12033	4.4
302.12994	2.1
303.13446	7.8
309.12448	1.9
311.14276	1.4
312.15253	1.8
313.11835	39.1
314.12985	3.4
315.13614	3.9
316.14413	7.4
317.15619	0.9
318.16428	0.9
323.10489	2.3
323.14050	0.8
324.11221	1.6
326.16895	1.2
327.14072	1.0
327.17688	1.3
328.11014	1.1
328.14587	3.9
329.11969	4.4
329.14908	4.5
330.12387	4.1
330.16119	8.1
331.12976	11.2
331.16879	9.5
332.17639	1.8
336.11075	1.1
337.11691	0.9
338.12903	1.1
340.14676	1.5
341.12381	0.8
342.12369	6.7
342.15860	0.9
343.13098	5.1
343.16858	0.9
344.13940	2.3
344.17691	6.9
345.14447	16.9
346.15405	1.6
352.14563	1.2
354.12228	0.9
354.16064	2.8
355.13467	1.5
355.17371	0.9
356.13940	5.9
357.15021	4.5
358.15540	10.7
358.19589	1.0
365.11334	1.4
366.16119	1.0
367.13934	1.1
368.13943	1.2
369.10956	1.0
370.11780	2.7
370.15854	5.0
371.12653	1.4
371.16840	0.9
372.13324	0.9
372.17258	6.0
373.14227	1.1
374.14658	1.1
374.18802	2.1
380.13782	1.5
382.11365	3.2
382.16058	1.3
383.12851	3.1
384.13373	14.0
385.14108	4.7
386.14600	7.3
386.18918	2.7
387.16000	1.9
388.16479	3.5
390.18127	6.9
394.15405	1.0
396.13095	0.8
397.14783	1.7
398.15027	17.2
399.15823	26.0
400.16583	35.4
401.17407	0.8
402.14209	3.0
403.19046	1.1
404.16086	1.1
406.17639	1.3
412.16571	2.3
414.18539	6.4
415.14667	1.0
415.19485	1.2
416.16028	6.2
417.16870	8.4
418.17688	11.3
430.17905	4.8
431.18433	2.0
434.17215	0.9
440.16083	5.9
441.16776	1.9
442.17572	0.8
444.15701	2.1
446.17111	1.4
458.17133	43.9
459.17908	24.9
459.24490	1.4
460.18488	4.8
469.11353	5.4
474.16803	4.6
475.17441	2.1
476.18204	1.8
490.19785	6.5
491.20456	3.7
508.20920	0.9
539.22968	1.1
555.26263	2.0
557.23993	4.3
581.23969	11.8
587.33850	1.9
599.25043	100.0
600.25079	3.0
631.24988	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	631.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.8
63.35128	0.7
67.05507	3.4
69.07071	3.8
70.93732	1.4
70.94054	0.8
79.05489	1.5
80.05061	1.0
81.03423	1.1
81.07063	2.0
85.02905	1.4
85.17823	0.8
85.36799	0.7
87.07605	0.7
91.05482	1.8
93.07043	1.7
94.06576	5.7
95.04958	1.9
104.10721	1.2
107.08638	1.2
108.08141	2.1
110.06046	1.0
113.74866	0.8
114.35375	0.8
116.05009	0.7
121.10168	0.8
122.06029	14.5
133.10172	1.0
134.06049	1.9
138.03143	0.9
140.07071	19.8
144.04459	3.6
146.06026	10.8
148.07573	2.3
152.07095	1.2
153.05463	1.7
160.07509	0.9
162.05487	3.0
166.08560	1.1
171.90588	0.9
172.03943	23.2
174.05498	8.8
176.07106	5.8
178.08626	0.9
182.09599	0.7
186.09293	0.9
188.07059	1.3
190.04996	3.5
192.06537	1.0
197.10718	1.7
199.12338	1.7
204.06566	38.9
205.07394	0.9
206.08144	16.1
209.10789	0.8
211.08618	2.0
212.09312	1.3
213.10204	1.3
225.10194	5.5
226.08594	0.8
227.11769	12.2
237.10246	1.9
238.10983	1.3
239.11710	4.0
241.09605	1.8
241.13432	1.2
243.11304	0.9
248.01257	1.0
249.10410	0.8
251.11916	2.4
253.09644	2.2
255.11417	0.9
261.12329	1.3
265.09747	2.1
267.11377	2.1
269.12869	6.7
271.10898	3.4
277.09692	0.9
279.11200	1.5
283.10800	8.5
284.11624	5.1
285.12408	2.7
287.13913	21.3
289.13388	1.1
295.10712	1.7
297.12454	3.7
300.12244	1.4
301.12173	3.5
302.12961	1.4
313.11789	11.1
314.12872	1.3
315.13641	2.4
316.14545	5.6
323.10397	2.2
328.11063	1.0
328.14493	3.3
329.11728	1.9
329.15454	2.0
330.12381	2.1
330.16071	4.8
331.12863	5.0
331.16824	6.6
341.12015	1.1
342.12451	5.2
343.13254	3.9
344.13925	1.7
344.17569	5.7
345.14502	26.2
354.16373	1.5
355.14163	1.1
356.10162	1.1
356.14032	4.0
357.14771	2.4
358.15475	7.3
363.15677	1.5
370.11740	1.9
370.15643	2.7
371.16632	1.5
372.17053	3.3
374.18604	1.4
375.15875	1.0
380.14185	1.5
382.11932	2.7
383.12750	2.5
384.13391	10.0
385.14194	2.8
386.14554	4.7
386.18921	2.2
388.16498	1.9
390.18198	4.4
391.19241	0.9
398.15018	11.9
399.15823	24.3
400.16599	29.6
402.14545	1.9
403.19290	1.1
412.16663	1.0
414.18332	4.5
415.18942	1.4
416.16061	2.4
417.16891	5.8
418.17682	8.6
430.17435	2.4
431.18399	1.9
440.16052	2.2
444.15424	2.5
458.17151	28.6
459.17966	17.3
460.18564	3.9
490.19943	6.5
491.20416	3.3
555.25836	1.4
557.24152	3.6
581.23962	5.9
599.25055	100.0
600.25018	2.2
631.27002	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	631.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.8
56.96585	1.8
60.30090	1.3
67.05495	5.3
69.03416	3.6
69.07050	4.9
69.42881	1.3
71.44247	2.0
71.44563	1.5
79.05492	4.5
81.03403	2.4
81.07045	5.7
84.08183	1.5
85.02901	4.5
87.04477	3.1
91.05483	3.5
93.07040	3.5
94.06592	10.7
95.04972	3.2
95.08597	3.7
95.44876	1.4
97.02889	1.8
97.06554	1.6
105.07031	3.8
107.08591	2.4
108.08117	3.9
109.10197	2.8
110.54512	1.5
116.04990	2.3
118.06513	1.3
119.08572	3.7
121.10129	2.9
122.06046	22.7
123.04479	2.0
123.11714	1.8
124.07633	1.9
125.73344	1.3
127.03929	2.0
131.08594	1.8
133.10051	1.6
134.06035	2.5
135.07979	1.5
136.07539	1.9
138.52271	1.6
139.03851	1.2
140.07080	33.2
144.04463	4.5
145.10129	1.8
146.06018	17.8
147.04419	2.5
147.06816	1.7
148.07594	3.4
150.75632	1.3
151.07495	1.8
152.07074	1.9
160.07547	1.6
162.05522	2.3
163.03957	2.5
167.07053	6.6
168.07379	2.0
172.03955	27.9
172.07584	1.4
173.04745	1.8
174.05511	11.8
176.07074	9.8
181.05203	1.3
186.09364	1.4
190.05009	3.6
193.06323	2.3
197.10791	2.4
199.12405	2.1
204.06587	64.4
206.08160	25.7
209.10780	1.4
210.11516	2.2
211.08673	2.7
213.10080	1.8
223.08737	2.2
223.12329	1.7
224.09415	1.7
224.23758	1.5
225.10226	7.9
227.11787	16.7
232.87866	1.3
235.08809	1.3
237.10217	3.0
239.11838	6.6
240.10249	1.5
241.09764	2.9
241.13292	1.9
243.11259	1.8
251.11760	3.5
253.09857	3.2
253.13361	1.8
255.11378	1.6
261.12524	1.5
263.11765	4.5
265.09659	3.9
267.11359	3.4
269.12866	11.7
271.10883	5.4
277.09702	3.3
279.11334	2.8
282.63113	1.4
283.10785	14.0
284.11572	5.3
285.12320	5.0
287.13928	35.4
287.17126	1.9
291.11063	2.3
297.12274	6.4
300.11765	2.9
301.12241	6.4
302.12756	1.7
309.12372	3.6
310.13037	1.6
312.15247	2.0
313.11737	13.9
314.12854	5.0
315.13623	4.8
316.14578	6.5
318.16022	1.8
323.10184	2.4
323.13803	1.7
328.14435	4.6
329.11761	3.2
329.15292	3.0
330.12305	4.4
330.16019	9.6
331.12988	5.9
331.16769	12.6
332.17627	1.9
335.24225	2.6
337.11804	2.6
341.11951	2.6
342.12350	5.6
343.13153	4.4
344.13898	2.6
344.17593	8.7
345.14478	30.9
346.19232	1.7
355.13962	1.6
355.57364	1.4
356.13943	5.3
357.14890	3.0
358.15594	11.5
368.13806	2.2
370.11462	1.8
370.15491	4.3
371.16812	1.8
372.16983	6.3
382.11670	3.7
382.15881	2.3
383.12787	3.9
383.27640	4.4
384.13297	15.0
385.14078	6.3
386.14517	6.9
386.18793	4.2
388.16483	1.8
390.18237	8.6
398.15042	17.6
399.15833	29.7
400.16602	38.6
402.14005	2.5
414.17978	6.1
415.19250	1.6
416.16061	3.4
417.16882	8.6
418.17715	14.9
430.17462	3.5
431.17975	1.8
440.16086	4.2
441.16342	1.6
444.15579	2.3
458.17178	51.0
459.11847	2.5
459.17947	31.4
460.18726	8.9
474.17123	1.5
490.19724	14.2
491.20465	7.3
508.20590	3.8
527.30890	3.6
545.33124	12.4
555.25983	1.9
557.23889	5.2
569.32745	3.0
581.23914	10.2
587.34064	37.8
599.25098	100.0
600.24921	4.4
613.31793	5.0
631.24249	13.0
631.34149	94.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.1
56.96557	1.4
67.05510	4.7
69.03432	4.2
69.07077	8.1
70.06594	1.4
78.67982	1.1
79.05505	3.7
80.16376	1.2
81.07053	5.6
83.05016	1.4
85.02914	4.6
86.09680	1.4
91.05521	2.7
93.07059	5.6
94.06565	8.4
95.04991	3.1
95.08607	3.5
97.02914	1.7
98.20753	4.0
99.04466	1.5
105.07034	3.8
106.06581	1.8
107.04964	1.7
107.08629	2.0
108.08127	1.6
109.10164	2.6
118.06542	2.0
120.08101	1.7
121.06497	1.7
122.06037	28.7
123.04440	2.0
124.07580	1.7
133.10133	2.1
134.06055	3.7
137.06010	2.6
139.99335	1.1
140.07085	38.0
144.04469	3.7
144.09242	1.3
146.06021	12.4
147.04376	2.2
148.07600	3.2
162.05501	3.2
163.03917	2.7
167.07066	4.8
172.03947	20.9
173.04776	3.6
174.05527	21.7
176.07155	8.0
190.05061	4.8
191.05780	2.0
192.06592	3.0
197.10730	1.9
199.08719	2.0
199.12280	2.9
204.06586	39.8
206.08104	14.4
206.09560	1.3
209.10886	1.4
210.09235	2.2
210.11459	2.0
211.08842	1.6
212.09404	2.1
213.10234	1.6
224.09494	3.2
225.10263	6.4
227.11794	17.9
237.10214	3.2
238.11057	1.4
239.11775	6.5
241.09802	2.6
241.13472	1.8
243.11493	1.9
249.10135	3.4
251.08336	1.6
251.11838	3.2
253.09766	3.9
253.13335	1.6
253.90767	1.4
258.05197	1.3
261.12393	2.8
263.11737	1.8
265.09677	2.9
267.11307	2.3
269.12872	14.3
271.10889	6.0
277.09744	1.7
279.11304	2.8
283.10776	10.4
284.11557	8.3
285.12433	6.0
286.04654	2.5
286.13391	1.6
287.05231	2.2
287.13889	34.7
291.11108	1.9
295.10883	1.6
297.12424	3.3
301.07050	6.2
301.12186	5.6
302.07532	7.6
309.12100	2.9
312.15393	1.4
313.11829	41.9
314.12784	2.1
315.13977	3.7
316.14487	6.8
327.13803	1.8
328.14371	3.1
329.11761	3.1
329.15491	3.8
330.12433	3.1
330.15988	7.0
331.12906	8.6
331.16830	9.1
337.11618	1.8
341.11896	1.6
342.12296	6.7
342.16083	2.0
343.13098	2.9
344.13913	2.3
344.17636	5.9
345.14493	20.1
354.12573	1.9
354.16345	1.6
356.14206	6.7
357.14935	5.2
358.15598	8.9
363.15250	1.6
365.25650	1.4
370.11493	3.0
370.15625	5.3
371.16397	1.4
372.17047	4.8
380.13824	1.4
382.11926	3.8
383.12503	2.2
384.13425	13.8
385.14130	2.2
386.14938	4.7
386.19113	3.0
388.16898	2.0
390.18158	7.4
398.15018	16.7
399.15866	28.6
400.16553	34.8
402.14355	2.4
412.16498	1.8
414.18286	7.8
415.19162	1.7
416.16107	3.9
417.16949	5.6
418.17645	10.8
430.17667	2.8
431.18356	1.9
440.16174	6.3
441.16547	1.7
458.17206	49.3
459.17899	23.8
460.18552	6.6
490.19479	8.2
491.20840	2.9
505.92377	2.0
506.18399	1.5
510.22372	1.6
545.33167	2.7
557.23749	5.8
581.23694	9.6
587.33783	7.3
599.25055	100.0
600.26184	1.9
613.31836	2.6
631.33490	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	631.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03133	0.6
63.04765	0.6
65.03973	0.8
67.05492	2.0
68.05045	0.9
69.07063	4.4
69.51443	3.6
72.17799	0.6
79.05482	1.1
81.07062	0.7
85.35094	0.6
90.65932	0.6
94.06566	7.1
95.04974	1.8
97.06526	0.6
108.08132	1.2
112.07618	1.4
116.04995	1.3
118.06514	0.6
119.17657	0.6
122.06033	22.0
123.04362	0.9
124.84908	0.6
127.03860	0.7
134.06044	1.5
140.07068	32.8
144.04433	3.0
146.06015	11.8
148.07594	2.5
158.09727	0.7
162.05516	1.9
163.06335	1.0
172.03931	18.2
172.07687	0.7
173.04749	2.8
174.05518	16.6
176.07051	6.0
186.09221	0.9
187.08775	0.7
190.05019	3.7
191.05829	1.0
192.06566	1.1
197.10802	1.5
199.08626	1.2
199.12418	2.2
204.06566	34.0
206.08131	12.8
209.10857	0.9
210.09299	1.2
211.08664	1.5
212.09473	1.9
213.10291	1.4
223.08731	1.1
224.09308	0.9
225.10283	5.6
227.11787	14.3
237.10275	2.2
238.11113	1.6
239.11728	3.0
240.10173	0.8
241.09810	1.9
241.13403	1.2
245.54535	0.6
249.10239	0.8
251.08247	1.1
251.11932	2.7
253.09782	2.6
255.11331	0.6
261.12457	2.6
263.08173	1.3
265.09848	2.7
267.11389	1.8
269.12875	11.9
271.10699	4.3
277.09628	1.4
277.82831	0.6
278.10535	1.3
279.11328	1.3
283.10800	9.3
284.11523	5.7
285.12405	6.2
287.13907	32.0
288.14828	0.8
289.13358	1.2
295.10883	2.3
296.11780	0.8
297.12363	4.0
298.13089	0.8
300.12018	1.4
301.12161	3.1
302.13129	1.4
302.16452	0.8
312.15219	1.4
313.11813	33.6
314.12872	2.4
315.13696	3.2
316.14490	5.1
323.10358	1.4
326.16617	1.2
327.13965	1.0
328.14618	2.8
329.11679	3.4
329.15497	2.0
330.12360	2.4
330.16086	6.2
331.12909	6.1
331.16888	7.9
332.17557	1.0
339.13937	0.7
342.12637	4.9
342.16272	1.0
343.13156	3.6
343.17026	0.8
344.14014	1.2
344.17581	6.6
345.14471	19.7
354.16302	0.9
355.13901	1.8
356.13879	4.1
356.17831	0.7
357.14670	3.3
358.15558	7.9
363.15784	1.5
367.13025	0.9
370.11780	1.7
370.15659	3.3
371.12659	0.9
371.16974	1.2
372.17346	3.7
380.14130	1.1
382.11493	3.5
382.16129	1.0
383.12827	2.5
384.13388	12.7
385.14230	2.9
386.14777	4.9
386.18994	1.5
388.16760	1.3
390.18271	5.1
394.15799	1.0
396.17490	0.8
397.15228	1.0
398.14957	13.4
399.15790	23.5
400.16583	30.4
402.14609	1.8
412.16901	1.6
414.18103	6.2
415.18967	1.9
416.16251	2.6
417.16812	6.4
418.17667	8.3
422.15378	0.9
430.17709	2.3
431.18335	2.7
440.15970	4.8
441.16696	1.2
444.15671	2.0
458.17117	30.8
459.17899	17.0
460.18588	3.8
490.19760	5.3
491.20462	2.9
555.25653	1.3
557.23932	3.5
581.23956	7.5
599.25037	100.0
600.25751	3.3
631.27228	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	631.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99870	1.7
70.99866	1.0
71.54303	1.0
77.00929	1.9
82.99851	2.3
86.99329	1.8
89.00884	1.5
91.05464	3.2
101.00895	17.0
104.01254	1.1
105.00346	1.8
113.00901	9.0
115.02453	9.3
119.01937	23.7
119.04959	5.7
127.02421	2.6
127.03844	1.2
129.03961	3.3
131.01913	27.1
131.05534	11.6
133.03464	7.6
137.00845	3.0
137.02966	2.2
138.01682	1.2
139.03922	2.4
143.01907	48.5
145.03458	13.2
147.01370	3.5
147.04350	19.0
149.02925	2.5
149.06602	16.1
155.01907	40.3
155.05550	3.5
156.02776	5.2
157.03468	6.3
159.05067	6.9
161.02969	55.6
162.03079	1.1
163.04587	1.4
167.05583	3.5
169.07056	1.2
170.05614	1.3
171.05154	1.2
173.02980	38.7
173.06615	31.9
175.04552	2.2
177.06152	5.8
179.05562	1.4
184.04579	2.1
185.03003	5.1
185.06601	43.0
187.08160	6.4
189.52551	1.1
191.07640	7.8
195.73572	1.1
197.06555	5.2
199.08194	5.2
201.06041	1.8
203.03973	17.7
203.07629	19.4
205.03549	2.1
205.09239	2.1
209.06630	2.5
215.07664	16.1
217.09370	1.8
221.05080	53.7
222.05217	1.4
223.04523	3.4
227.07616	6.0
233.08701	3.7
241.05527	2.2
245.04922	1.8
247.04581	4.7
257.04691	1.7
257.08737	11.9
257.94269	1.1
259.04605	2.3
261.06241	1.4
265.05606	4.2
273.06067	1.6
275.09784	59.8
277.09344	1.5
277.21463	1.1
277.73621	1.1
289.05618	1.3
291.07080	1.4
293.10828	65.1
295.10254	4.3
298.11359	1.1
301.05634	2.6
307.08875	1.5
316.12286	1.3
335.12015	2.9
345.11703	1.5
349.10321	2.5
361.13217	1.1
375.11401	1.4
387.11548	3.2
397.06146	1.7
405.12326	2.6
421.13242	8.4
439.14542	100.0
440.14798	2.2
449.11520	2.6
451.10538	1.5
467.12521	29.7
507.16919	1.6
521.15106	7.3
530.15887	1.2
595.14990	5.8
604.89972	1.3
613.16174	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41946	1.8
56.96292	3.6
56.96574	59.4
57.79128	1.9
60.94293	1.8
68.45926	1.8
69.99236	8.3
70.98134	9.6
71.04736	1.8
74.97628	8.4
84.96046	12.4
88.99148	3.6
89.03938	6.5
98.97597	80.4
102.97114	2.6
110.97597	11.1
114.97038	2.0
116.98642	37.0
117.03395	16.2
118.06544	4.2
124.99151	4.4
127.03816	2.0
128.98628	13.4
131.00154	2.1
132.00655	2.0
132.98099	5.2
134.99696	10.2
135.04404	2.7
139.03891	5.6
141.19788	1.6
143.00180	13.7
144.08151	3.1
145.01764	2.9
145.02873	46.9
146.06053	13.7
146.99698	5.3
147.06357	2.2
149.05997	5.9
150.99174	9.8
151.03876	2.5
158.99680	23.9
161.01277	9.4
162.99225	2.7
163.03957	7.6
169.00276	3.4
173.01270	2.3
174.99141	6.8
175.00708	4.8
177.00748	18.4
177.05499	59.9
188.07056	19.1
189.00731	2.0
189.07417	8.3
191.05936	6.3
193.00241	14.8
193.01801	4.9
203.00229	5.6
205.05083	2.3
205.09779	9.6
206.10057	3.3
209.06976	2.8
210.02156	2.6
215.06015	2.5
217.98958	3.2
219.01807	2.0
219.05441	6.5
221.01277	12.7
223.02864	2.9
225.04320	12.9
227.02132	2.4
232.00461	5.2
233.01250	10.8
235.01006	3.0
235.03073	2.2
235.99899	13.5
237.00746	6.0
238.01447	2.6
239.02446	15.0
243.05347	2.6
247.05089	2.3
248.99257	6.9
250.01485	13.9
251.02269	26.0
254.00954	10.8
255.01807	3.8
265.03989	5.2
267.00278	28.8
268.02658	2.8
269.03354	100.0
273.02823	4.9
275.02390	11.4
275.04993	2.0
276.03110	2.2
281.03421	2.6
283.04880	12.9
285.01398	7.8
287.04443	84.9
291.01801	5.0
293.03491	12.2
301.06345	2.1
306.99728	21.4
309.02972	4.6
311.04364	31.6
319.04922	4.5
325.00839	37.7
327.03940	12.1
329.05466	5.3
337.06137	5.6
339.03568	2.7
347.06320	4.5
348.02435	3.8
351.03888	4.5
361.04578	4.4
363.07565	2.9
365.07394	5.3
369.04974	3.3
375.05768	2.3
379.05579	10.7
381.04855	4.4
393.06717	2.8
397.04318	4.5
399.06085	6.4
407.02957	14.7
425.03958	46.3
437.06091	4.0
443.05026	63.2
461.06134	5.7
468.19247	4.1
469.19705	3.3
483.04425	7.0
501.05609	4.4
630.24469	3.8
631.24927	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	629.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01868	3.0
55.05512	18.8
57.07079	28.5
60.35651	0.9
65.03913	1.8
67.05508	45.1
67.28399	1.0
68.05834	1.0
69.03132	1.2
69.03436	12.4
69.06729	1.7
69.07072	20.5
71.04649	1.6
71.05000	18.6
71.08637	20.7
71.29876	2.2
71.95580	1.0
74.28260	1.1
76.81522	1.1
79.05074	2.0
79.05499	29.5
81.03403	1.5
81.07065	47.0
83.04636	0.9
83.04991	10.3
83.08627	15.0
85.02943	1.1
85.06541	4.9
85.10181	8.6
87.04462	2.2
89.06026	2.5
91.05483	11.8
93.06475	2.3
93.07049	31.7
95.04971	2.3
95.08614	50.4
97.06532	9.0
97.10171	11.4
99.08107	1.7
105.07057	6.7
107.04969	3.1
107.07886	1.4
107.08604	20.6
109.10161	21.2
111.04466	12.1
111.08089	1.8
111.11702	2.8
117.07008	2.1
119.08533	6.1
121.06480	2.0
121.10152	35.7
123.08083	2.5
123.11742	8.4
125.06048	2.2
125.09624	2.1
125.13279	1.2
129.05490	24.1
129.06992	1.4
129.81944	1.1
131.08559	4.8
133.10141	5.8
135.08040	2.2
135.11705	20.3
137.13278	5.8
139.07533	1.7
145.10147	5.5
147.11662	2.2
148.55899	1.1
149.09622	2.4
149.13277	6.5
151.14809	1.6
153.09071	1.6
155.14284	1.7
159.11667	3.9
161.13226	2.4
163.11166	1.5
163.14771	2.7
165.16405	2.3
169.10138	1.3
169.15912	2.0
173.13223	2.2
175.14787	1.9
177.16388	1.9
179.10666	1.1
179.17955	1.2
181.12297	1.5
182.08934	1.0
183.17433	3.8
187.14847	2.6
191.17955	4.6
197.19035	3.6
209.19032	3.2
217.19563	3.1
219.21088	22.2
233.22644	2.9
235.20537	1.9
237.19797	2.1
237.22136	29.9
239.23633	4.2
243.21057	4.9
251.20081	2.5
251.23726	3.0
255.23170	4.7
259.20642	1.2
261.22269	5.1
265.25217	2.6
269.21149	8.4
275.20102	1.5
277.21481	4.9
279.23227	14.0
295.22656	3.4
297.24265	100.0
307.26407	1.2
313.36612	1.0
325.27350	6.5
335.25818	2.2
337.26920	1.2
341.59857	1.2
346.69766	1.2
430.82346	1.1
500.21048	1.1
611.45807	3.0
612.86194	1.4
629.47388	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	629.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59578	1.1
52.40752	1.1
53.03933	1.7
55.01859	2.4
55.05265	1.6
55.05515	20.7
57.03440	1.9
57.07079	28.8
65.03934	1.3
67.05511	45.6
69.03436	17.9
69.07072	22.1
69.88367	5.8
71.05000	30.4
71.08638	18.7
73.06528	1.3
78.91591	1.3
79.05074	2.2
79.05502	34.2
81.03420	1.5
81.07064	52.8
83.04985	11.2
83.08629	17.3
85.06542	6.6
85.10187	8.7
87.04482	2.4
89.06033	2.0
91.05481	12.9
93.06474	2.5
93.07047	37.4
95.04950	4.0
95.08613	56.9
97.06554	7.7
97.10184	14.2
99.08093	1.6
100.24728	1.0
105.04520	1.4
105.07018	10.2
105.93899	1.1
107.04958	2.7
107.08606	23.9
109.06525	2.8
109.10168	23.8
111.04448	23.3
111.08075	1.8
111.11723	3.4
111.33056	1.1
115.03934	1.3
117.07027	3.3
119.08583	11.8
121.06533	2.5
121.10151	37.2
123.08046	2.1
123.11727	14.6
125.05989	3.9
125.09619	2.2
127.07566	1.4
129.05486	40.8
129.06992	2.4
131.08594	6.3
133.10121	9.8
135.08028	2.7
135.11710	20.9
137.09599	1.2
137.13252	7.7
139.07533	3.4
143.08530	1.5
145.10144	3.9
147.11707	4.8
149.09605	4.7
149.13287	7.8
151.14822	3.5
153.09087	2.0
155.06935	1.4
155.14284	1.7
157.10175	1.5
159.11684	3.1
161.05954	4.0
161.13248	4.0
163.11197	1.5
163.14836	3.5
165.16386	2.1
167.10609	1.4
169.15837	1.8
173.13257	2.0
175.14778	2.4
177.16324	1.6
179.17989	1.6
180.03827	1.3
191.17934	4.7
193.19461	1.6
195.75554	1.2
197.19002	6.8
209.19005	4.3
215.17944	1.5
217.19572	6.0
219.21085	29.9
233.22606	5.2
237.22148	36.3
239.23734	4.7
243.21088	6.0
245.22617	4.3
247.24210	1.8
251.20015	1.4
251.23714	1.5
255.23149	4.1
261.22247	5.6
263.23822	1.1
265.25345	2.9
267.03305	1.2
269.21170	6.4
273.11203	1.6
275.20084	3.1
277.21634	3.8
279.23187	15.1
295.22729	2.1
297.24268	100.0
305.24707	3.4
308.02881	1.2
323.25800	4.7
325.27502	7.7
337.27240	3.4
407.18646	2.0
425.19601	8.8
531.39453	1.5
611.46112	3.8
629.46887	5.3
629.58649	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45345	2.0
53.03940	7.2
55.01865	7.4
55.05515	34.7
57.03440	10.9
57.07084	13.0
57.07327	3.0
65.03934	4.0
67.05510	88.9
68.05850	4.2
69.03431	7.8
69.07071	37.1
70.74882	5.8
71.04996	5.2
71.08639	49.6
72.01118	2.1
79.05498	80.0
80.05810	2.6
81.03414	5.8
81.07061	100.0
82.07367	3.2
83.04980	14.6
83.08618	18.7
85.06533	6.9
89.06053	4.3
91.05485	55.2
91.27061	2.1
92.05803	3.4
93.07050	89.6
94.07368	3.3
95.04973	11.8
95.08616	79.4
97.06535	13.2
97.10186	11.3
99.08103	27.3
105.04514	2.7
105.07030	40.8
106.07364	2.9
107.04958	13.4
107.08603	49.9
109.06556	5.3
109.10166	28.8
111.04456	8.5
111.08099	6.3
111.11704	3.3
112.89745	2.0
113.09681	3.8
117.07001	17.7
119.08590	30.9
121.10152	55.4
121.30603	2.3
123.08065	4.5
123.11716	16.2
125.09586	4.1
129.05496	17.2
129.07008	6.6
131.08575	27.4
133.10146	25.6
135.08061	5.2
135.11690	36.3
137.09598	5.1
137.13269	4.1
143.08572	10.3
145.10132	20.2
147.11687	13.7
149.09641	5.0
149.13258	16.8
151.11198	16.1
153.09106	2.4
155.06981	2.8
155.08531	2.5
157.10121	5.6
159.11678	13.2
161.13216	16.4
163.11198	8.2
163.14816	9.4
164.80986	2.3
169.10164	5.3
171.11682	6.6
173.11819	3.0
173.13249	7.3
175.14771	4.1
177.12810	3.2
177.16422	4.4
179.14339	45.5
183.11732	2.6
185.13214	6.0
187.14883	2.7
191.17990	3.7
195.11909	1.9
195.13890	2.5
197.13313	2.8
199.14832	4.8
201.16455	2.7
215.18005	2.6
217.19513	8.1
219.17422	6.2
219.21100	25.2
220.17865	5.4
221.15207	2.6
221.71411	2.1
237.22218	22.7
239.18112	2.4
241.19502	4.2
243.21074	15.5
259.20599	4.6
261.22177	17.1
268.21323	2.2
275.20068	4.2
276.20319	4.8
277.21622	45.1
279.23160	14.7
282.01160	2.5
295.22745	7.1
297.24216	12.1
317.24771	11.9
335.25806	44.1
336.26425	4.6
351.25259	40.1
437.33969	2.4
439.35928	6.2
457.36792	3.9
470.75180	2.2
503.37369	2.8
513.39392	12.3
515.37274	9.0
529.38550	3.2
537.43640	2.7
611.46692	80.9
629.47876	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	629.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01861	1.5
55.05527	3.9
55.80151	0.6
57.07067	2.9
61.68377	0.8
67.05507	10.0
69.03433	2.1
69.07071	5.6
69.84731	1.9
69.85147	1.8
71.04993	3.2
71.08647	1.0
79.05495	7.4
81.07061	13.1
83.01329	1.1
83.04975	1.8
83.08621	3.9
85.10174	1.0
89.06041	1.3
91.05476	4.1
93.07050	7.5
95.04963	1.5
95.08598	8.7
97.06519	1.7
97.10175	2.0
98.21404	1.3
105.07052	4.2
107.04969	1.9
107.08615	5.4
109.06522	2.9
109.10165	4.0
110.26781	0.7
111.04430	2.0
117.07030	1.6
119.08595	3.9
121.06512	23.0
121.10164	6.6
123.08047	1.3
123.11695	1.8
129.05466	2.4
131.08586	2.3
133.06482	6.6
133.10156	2.8
135.08087	2.0
135.11726	3.5
137.09569	0.9
137.13266	1.2
145.06470	1.3
145.10126	2.6
147.11684	2.0
149.13287	1.4
155.03374	1.0
161.05975	23.6
161.07253	1.3
161.13260	0.9
165.01857	2.4
177.11218	1.1
191.18057	0.8
193.08673	0.9
217.19548	0.8
219.06401	1.0
219.20958	4.3
221.08127	1.3
237.22095	4.0
239.23593	1.1
271.09711	0.7
275.20148	2.3
277.21756	2.5
279.23245	2.1
295.22675	2.3
297.24182	4.3
299.09113	9.0
315.25613	1.0
335.25967	0.9
337.27396	1.3
350.48825	0.8
355.15314	5.7
363.00412	0.9
407.18411	1.6
425.19601	100.0
426.19968	2.2
611.46490	1.7
629.47174	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	629.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01865	1.0
55.05519	4.7
57.07082	5.7
60.59086	0.5
61.13097	0.4
62.53173	0.6
65.03939	0.7
67.05510	10.0
68.99804	0.5
69.03439	2.6
69.06766	0.6
69.07076	5.5
69.56761	2.9
71.05003	5.4
71.06167	0.4
71.08642	3.9
79.05497	9.3
81.03448	0.6
81.07067	13.4
83.04997	2.3
83.08624	4.2
85.06551	1.3
85.10194	1.9
88.44798	0.4
89.06067	0.6
91.05488	5.2
93.07059	9.0
95.04971	1.9
95.08618	13.6
97.06536	2.9
97.10175	2.6
99.08104	0.9
103.05481	0.7
105.07043	5.3
107.04973	2.4
107.08607	5.7
109.06509	2.6
109.10157	5.5
111.04456	3.4
111.08054	0.7
111.11738	0.8
113.06030	1.0
117.07050	1.3
119.04951	2.0
119.08591	3.7
121.06521	5.6
121.10165	8.4
123.08054	0.5
123.11730	3.8
125.06036	0.6
125.09631	0.8
125.13280	0.7
129.05479	5.0
129.07011	1.1
131.08606	2.6
133.06505	8.8
133.08615	1.0
133.10158	2.1
135.04445	1.5
135.08075	1.1
135.11708	5.1
137.06001	1.1
137.13278	1.0
139.07552	0.8
143.08549	0.5
145.06512	0.8
145.10135	1.2
147.04344	0.6
147.08080	1.7
147.11688	1.4
149.06030	0.6
149.09619	0.6
149.13226	1.7
151.14804	0.7
153.05524	0.5
155.07036	1.2
159.11719	1.2
161.05998	30.5
161.13254	1.6
163.14755	0.8
165.01851	1.1
165.05540	0.5
169.15884	0.6
171.11847	0.6
173.06064	0.6
173.13188	0.7
175.07564	1.1
175.11324	0.5
177.05504	2.8
177.12788	0.7
177.16447	0.7
179.03427	2.1
180.03760	1.8
187.07607	0.7
189.12718	0.9
191.17934	1.2
195.02974	0.8
197.19040	1.0
201.05493	0.5
202.09827	0.6
203.03654	0.6
203.06956	0.6
203.18050	0.6
205.12274	3.1
209.18999	1.0
214.35524	0.4
215.07033	1.7
217.08553	0.5
217.12187	1.1
217.19557	1.1
219.06577	0.8
219.21109	4.6
229.08704	0.6
230.09369	5.2
231.06560	0.7
233.22676	0.6
235.20529	0.8
237.22137	7.0
239.23802	1.1
243.06627	1.0
243.21130	1.2
245.11742	4.3
247.24400	0.5
251.23778	0.9
255.23235	1.0
258.08771	0.9
261.22229	1.3
267.15942	0.8
269.08359	0.7
269.21140	1.2
273.11224	6.5
275.20090	1.0
277.21619	2.9
279.23172	2.5
291.12198	3.6
295.13257	1.1
295.22769	1.3
297.24277	18.6
307.09613	1.3
311.09219	0.8
313.23557	0.8
322.12036	1.9
335.25983	0.5
337.27408	0.8
349.23938	0.6
352.16367	0.7
355.19156	2.9
365.17572	2.7
407.18518	12.3
409.23544	0.6
425.19635	100.0
426.20047	2.4
433.61456	0.5
461.97455	0.5
611.37512	0.9
611.46692	1.2
629.38635	1.9
629.47260	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2729
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
55.05500	0.8
57.07075	0.4
67.05500	1.2
69.07050	0.7
69.17651	1.5
69.18074	1.8
69.94124	0.3
70.59772	0.3
71.08630	0.6
79.05494	1.0
81.07058	1.4
83.08633	0.5
84.61442	0.3
89.06034	1.1
91.05512	0.9
93.07035	1.1
95.08621	1.7
97.10128	0.3
98.20775	0.6
102.75304	0.3
105.07070	0.4
107.04924	0.3
107.08611	0.8
109.10160	0.6
115.36907	0.3
116.13387	0.3
121.10146	1.0
123.11746	0.6
129.05496	0.6
133.08598	0.3
133.10179	0.4
133.80852	0.3
135.11745	0.5
145.10242	0.3
148.71219	0.4
177.11259	0.4
207.24240	0.3
219.21220	0.4
247.24341	0.3
261.90475	0.4
295.22754	0.6
301.20657	0.3
332.31097	0.4
404.66702	0.4
451.70914	0.3
570.24982	0.3
611.45422	0.4
629.27356	100.0
630.27698	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	629.2251
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
51.53714	0.8
54.49829	0.9
62.02146	0.9
67.05511	1.6
69.83657	1.9
69.84063	3.2
75.46545	0.8
77.00279	0.9
79.05505	1.3
81.07056	1.4
91.05476	1.7
93.07006	1.0
95.08617	1.1
98.21438	1.0
105.94759	0.8
123.77132	1.0
137.11826	0.9
137.83179	0.9
147.39815	0.9
152.19667	0.9
189.16496	0.9
189.88263	0.9
209.45122	1.0
349.13419	0.9
365.03784	0.9
396.12186	1.4
397.13013	2.1
398.13824	1.9
399.14410	1.2
409.13123	1.1
410.13754	4.7
411.14554	7.6
412.15125	6.3
413.16199	5.2
423.14709	1.7
424.10956	1.5
424.15482	2.8
425.16330	14.8
426.16983	11.1
427.17908	4.2
428.18677	4.8
438.13452	4.4
439.13565	20.2
440.19037	8.5
441.19379	41.6
442.19690	1.8
452.15021	3.9
453.15353	24.7
454.16025	5.5
456.17990	1.6
457.14859	1.2
467.17200	27.3
468.17935	19.2
469.18918	10.4
471.16812	1.5
472.17700	1.2
481.14859	10.8
482.15601	1.3
484.21042	3.2
485.18011	1.5
486.19363	1.1
495.17032	1.5
495.19809	1.4
496.17398	8.6
498.18875	1.3
499.20673	1.1
500.20737	4.8
509.18100	1.2
512.20605	3.3
513.22125	6.7
514.21704	1.1
523.19891	2.1
526.18457	1.2
531.22803	1.1
537.18085	1.0
541.20935	49.7
542.21167	2.7
559.22076	1.0
569.20367	100.0
570.20514	3.5
573.23749	2.5
597.19818	25.5
600.22034	2.3
601.22980	13.0
629.22394	63.8
630.22430	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	627.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.4
55.01878	15.7
55.05273	2.4
55.05513	29.8
57.03440	19.4
57.07062	3.3
58.06604	2.5
58.84604	1.8
58.93480	2.1
64.30814	2.1
65.03940	6.2
67.05509	79.1
69.06731	2.4
69.07073	40.6
69.23555	11.0
69.23977	7.9
71.04979	5.4
73.25933	1.9
79.05497	72.5
81.03407	6.9
81.07062	100.0
83.04974	8.4
83.08626	13.1
85.06531	3.1
91.05486	74.2
93.06475	3.9
93.07048	74.0
93.07631	4.4
95.01324	4.7
95.04961	9.9
95.08613	60.7
97.06014	2.3
97.06544	25.7
97.10156	4.3
103.05448	3.0
105.04520	3.1
105.07040	70.1
107.04972	13.8
107.08604	35.1
109.06509	8.8
109.10174	23.0
111.08125	2.7
117.07023	23.1
119.08595	45.3
121.06535	3.5
121.10157	21.5
121.85676	2.1
123.08047	5.6
123.11697	6.4
125.09626	2.5
129.06999	4.9
131.08585	33.2
133.08537	2.2
133.10144	31.9
135.08057	4.9
135.11678	16.5
137.09619	4.7
141.09151	2.2
143.08574	6.5
145.10135	19.2
147.11678	17.4
149.09622	5.2
149.13243	7.3
151.11116	2.9
157.10197	4.7
159.11708	14.0
161.09601	2.5
161.13246	7.3
163.11160	4.8
163.14787	2.5
173.13261	7.7
175.14865	2.3
177.12712	2.5
179.14308	9.1
183.11740	3.0
185.13246	6.5
187.14832	2.4
197.13203	3.2
201.16388	2.3
203.14276	2.3
215.17897	2.2
219.17445	91.1
229.19734	2.4
247.20670	3.2
257.18985	6.5
261.22174	2.2
275.20065	63.0
291.19516	4.3
293.21103	6.3
335.25793	95.1
336.26065	2.5
338.87302	2.4
349.23764	20.9
425.39767	2.1
609.45160	66.7
627.46503	17.5
627.66620	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	627.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37710	1.9
50.85009	1.7
53.03942	7.9
54.90526	2.0
55.01879	16.9
55.05516	34.4
56.83540	1.8
57.02658	1.8
57.03422	6.8
57.07077	5.2
61.34896	1.9
65.03944	4.7
67.05511	83.7
69.03432	3.1
69.07070	34.4
71.04995	5.7
71.08627	2.9
71.55125	3.7
79.05499	70.6
80.05822	2.0
81.03432	4.7
81.07063	100.0
83.04971	7.0
83.08622	18.5
85.06550	6.1
89.96217	1.8
91.05488	64.6
92.05833	2.4
93.07053	66.4
95.04957	10.0
95.08619	59.2
95.09240	2.3
97.06532	19.9
97.10182	6.3
99.08079	3.3
103.05416	2.5
105.07038	50.2
107.04946	10.8
107.08604	42.4
109.06515	16.1
109.10166	25.5
111.08076	3.8
115.05460	3.0
117.07018	17.8
119.08588	45.1
121.06499	4.0
121.10147	32.0
123.08086	6.2
123.11712	11.0
125.09619	6.1
129.07040	10.2
131.08594	29.9
131.70532	1.9
133.06557	3.0
133.10144	30.2
135.08107	4.6
135.11697	16.0
137.09657	3.4
137.13252	2.2
141.07037	3.0
142.07843	1.9
143.08559	9.5
145.10146	24.6
147.08054	2.6
147.11705	27.7
149.02338	2.2
149.09624	18.6
149.13278	9.9
151.11148	4.1
155.08566	3.3
157.10149	8.6
159.08076	2.3
159.11697	16.3
161.13300	11.0
163.11214	9.6
163.14850	3.5
165.12772	5.5
167.03473	2.8
169.10124	6.4
171.11694	8.2
173.13240	12.2
175.14899	3.5
179.14346	3.8
183.11684	7.3
185.13234	6.7
187.14832	2.8
189.16423	3.4
193.12140	2.0
195.11670	2.8
197.13293	4.2
199.14813	2.8
201.16425	2.4
205.15846	2.4
211.14836	4.6
213.16420	2.9
217.15944	2.0
219.17494	2.6
219.82051	2.0
227.12735	2.0
229.19365	2.5
239.17944	3.1
247.20624	2.9
257.19043	12.8
259.20645	3.0
261.22198	8.1
267.15891	3.6
275.20108	55.4
277.21619	3.0
293.21231	5.4
324.24792	2.5
333.24283	2.8
335.25854	27.0
349.23761	20.8
448.41913	2.2
460.91403	2.1
515.37347	2.5
517.40186	2.8
529.38928	2.4
535.41071	4.3
536.08691	1.8
553.42346	2.9
609.45190	30.6
627.46252	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	2.3
53.03942	7.9
55.01672	1.6
55.01878	19.0
55.05265	3.3
55.05515	42.8
57.03443	17.5
57.07059	6.7
65.03939	6.9
67.05507	96.4
69.03423	4.3
69.06718	3.3
69.07074	37.1
69.18587	12.0
69.19010	9.9
71.04982	6.6
79.05498	81.0
81.03414	5.5
81.07062	100.0
83.04976	5.7
83.08618	21.0
85.06525	5.0
91.05481	66.1
93.06482	4.3
93.07050	74.9
95.04968	12.4
95.08609	72.7
97.06544	28.8
97.10172	12.2
98.20729	5.0
99.08089	5.4
103.05444	2.7
105.07040	59.7
107.04977	18.1
107.08598	52.0
109.06515	7.8
109.10161	35.2
111.08077	6.7
115.05421	2.8
117.07017	27.9
118.87698	2.0
119.07798	3.7
119.08584	46.3
121.06545	5.3
121.10151	34.8
123.08091	7.4
123.11734	10.6
125.09693	9.8
128.06229	2.5
129.05487	2.2
129.06982	12.8
131.08580	39.3
133.10141	40.6
135.08026	3.9
135.11696	20.2
137.13237	3.2
139.11250	2.7
141.06981	2.7
142.07820	3.1
143.08553	16.5
145.06435	2.2
145.10117	30.7
147.08047	2.2
147.11705	28.0
149.09636	23.3
149.13272	10.1
151.11203	4.9
153.12599	2.1
155.08530	7.3
157.10103	15.0
159.11696	30.3
161.09645	4.9
161.13234	12.0
163.11163	9.5
163.14799	4.4
165.12730	2.3
169.10124	9.1
171.11696	14.4
173.13255	18.6
175.11133	2.4
175.14824	7.0
177.12794	2.5
181.10115	2.9
183.11691	8.5
185.13283	11.5
187.11147	4.4
187.14842	7.2
189.11197	3.9
189.16356	3.4
191.14221	2.4
193.12242	2.8
195.11754	4.7
197.13318	5.4
199.14842	6.7
201.16405	6.8
203.14272	2.8
205.15923	2.1
209.13304	2.8
211.14767	5.1
213.16444	3.3
219.17444	8.6
223.14847	2.7
225.16374	3.3
227.12796	10.3
228.63171	2.4
229.19476	5.2
231.06548	2.5
237.16418	2.5
239.17947	6.8
241.19600	3.7
247.20500	3.4
253.14305	3.0
257.19016	13.4
259.20590	6.2
261.22128	8.8
267.16049	2.7
275.20081	67.4
277.21619	5.9
293.21146	6.6
303.23230	2.6
325.25891	2.5
333.24146	5.1
335.25815	51.4
336.26303	2.4
349.23737	27.7
447.32083	2.7
515.37152	6.3
517.40460	4.8
529.38599	9.3
535.41284	6.2
553.42645	4.7
555.40436	7.5
591.43707	3.2
609.45154	52.2
627.46503	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	9.6
55.01872	17.7
55.05268	2.6
55.05515	37.0
55.25221	1.7
57.03433	6.4
57.07075	3.9
57.96851	1.8
59.05007	2.0
65.03942	5.0
67.05508	94.5
69.07071	30.9
69.30449	10.3
69.30870	7.1
71.04984	6.1
73.06585	2.5
77.03878	2.0
79.05495	74.5
81.03422	5.3
81.07059	100.0
83.04960	9.5
83.08623	17.1
85.06540	6.0
87.06372	1.7
91.05479	58.0
93.07049	74.4
93.07637	3.8
95.04979	12.5
95.08610	61.0
97.06533	26.7
97.10172	6.5
98.20753	2.8
99.08099	3.3
103.05534	2.4
105.04517	2.7
105.07034	54.7
106.01984	1.9
107.04939	12.7
107.08595	43.4
109.06524	12.1
109.10162	26.9
111.08113	3.7
115.36349	2.0
117.07019	18.3
119.08587	36.5
121.06517	4.2
121.10145	32.9
123.08082	5.3
123.11729	14.3
125.09618	6.2
128.06184	3.0
129.07011	7.0
130.07829	2.4
131.08565	25.0
133.06497	3.5
133.10132	28.3
135.08047	4.9
135.11719	16.0
137.09633	6.2
137.13245	2.1
139.11169	2.9
143.08575	9.9
145.06508	3.1
145.10135	25.0
147.11703	28.1
149.09607	22.5
149.13263	9.8
151.11194	3.1
155.08516	3.8
157.10167	7.9
159.11690	21.5
161.09700	2.2
161.13232	9.0
163.11217	16.3
163.14832	3.7
165.12790	6.6
169.10135	5.5
171.10419	2.0
171.11700	8.8
173.09573	2.1
173.13278	7.3
175.11243	2.8
175.14798	4.7
177.12773	3.1
179.14349	2.7
183.11696	6.3
185.13260	6.1
187.11293	2.5
187.14839	4.0
191.14345	2.1
197.13315	3.8
209.36159	1.9
209.81619	2.2
211.14879	3.5
213.16429	2.4
215.10658	2.5
225.16451	2.7
227.12698	3.2
229.19516	5.1
232.21944	1.9
239.17993	5.4
247.20564	4.7
257.18988	10.3
259.20663	4.2
261.22183	9.1
267.16016	4.2
273.18646	2.8
275.20047	58.4
277.21533	3.4
293.21146	7.4
335.22040	3.1
335.25864	37.5
338.77515	1.9
349.23788	24.3
356.58954	2.2
440.62555	1.9
458.46637	2.0
515.37231	4.5
517.40240	4.0
535.41571	5.4
553.42047	4.0
609.45142	40.3
627.37048	3.6
627.46259	50.5
628.46442	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	627.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	4.5
57.03446	2.6
61.02933	5.1
67.05504	13.6
69.07072	7.1
69.83096	7.1
71.04978	1.7
73.02930	2.1
79.05514	6.3
81.03432	1.5
81.07067	40.8
83.04999	2.8
83.08627	3.5
85.02908	5.8
85.06530	1.8
91.03934	2.7
91.05495	10.3
93.07051	7.6
95.04945	1.5
95.08616	8.5
97.02896	3.1
97.06548	5.2
99.08143	2.6
100.71918	1.5
105.07042	15.9
107.08604	7.5
109.06559	3.1
119.08581	15.3
121.10155	12.7
123.08128	1.4
123.11702	16.6
127.07555	2.4
133.10136	2.8
145.04959	1.7
147.04422	4.3
147.11700	43.8
148.04776	1.4
161.49818	1.3
163.06052	2.6
165.12784	18.0
167.07111	6.9
183.13864	2.5
211.13261	2.1
229.14427	6.8
267.15952	41.1
277.45535	1.4
285.16992	100.0
447.22321	2.0
530.97845	1.4
627.30939	2.2
646.54071	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.5
55.01885	14.6
55.02100	3.7
55.05307	2.3
55.05519	26.8
57.03440	5.5
57.07073	6.4
65.03929	7.8
65.48052	2.3
67.05513	74.6
67.27264	2.6
68.99786	5.1
69.03434	6.5
69.07076	81.9
70.12967	4.5
70.13348	4.8
71.04974	3.7
71.08608	3.5
77.03887	2.8
79.05077	3.5
79.05497	52.2
81.03419	4.5
81.07066	100.0
82.07427	2.6
83.04979	9.3
83.08626	12.5
84.32085	2.3
90.55142	2.2
91.05478	46.5
93.07055	59.0
95.04983	11.8
95.08611	63.2
97.06542	14.6
97.10176	10.5
98.21465	2.5
99.08121	2.8
103.05463	5.1
105.07042	74.3
107.04967	13.8
107.08606	42.9
109.02839	3.2
109.06559	12.8
109.10168	96.4
111.08069	4.8
115.05452	8.2
117.07039	16.9
117.07722	2.3
119.04946	9.5
119.08598	40.8
121.02876	2.9
121.06517	13.8
121.10154	28.5
123.08091	2.8
123.11700	13.2
123.67697	2.4
125.09622	6.0
128.06212	7.5
129.05479	6.6
129.07042	14.8
131.04901	4.2
131.08582	37.7
133.06494	9.6
133.10124	28.5
135.04396	7.6
135.08107	5.5
135.11716	17.1
137.06023	3.4
137.13260	3.9
141.07013	7.4
142.07829	5.1
143.04890	4.2
143.08582	19.5
145.06490	11.0
145.10123	23.8
147.04431	3.1
147.08049	5.4
147.11707	23.9
149.05974	2.8
149.09641	17.3
149.13242	7.5
151.11145	2.7
153.06955	2.5
154.07759	3.5
155.08554	15.7
156.09398	5.5
157.06505	4.7
157.10120	15.6
159.04425	14.5
159.08080	8.5
159.11652	15.1
161.09579	4.4
161.13232	10.0
163.11223	8.8
163.14815	2.8
165.01945	2.5
165.07050	5.6
165.12750	2.9
166.07732	2.7
167.08582	6.4
168.09442	5.3
169.01245	2.8
169.10132	12.0
171.04416	16.6
171.08015	5.9
171.11684	16.2
173.06003	5.6
173.09616	7.8
173.13275	7.4
175.11205	6.9
175.14848	4.2
177.09108	9.9
177.12816	3.3
179.08583	3.6
181.01302	4.5
181.06509	3.4
181.10104	7.9
183.03009	3.6
183.08060	4.5
183.11696	22.8
185.05920	3.2
185.09567	6.2
185.13223	6.4
185.20369	2.6
187.11194	7.9
187.14841	3.9
189.05539	17.3
189.12733	7.1
191.08574	3.1
193.10190	5.8
195.10159	21.3
195.11725	7.6
197.09677	4.4
197.13303	9.0
199.02422	6.7
199.07629	3.1
199.11191	8.1
199.14877	2.9
201.09090	3.0
201.12790	18.2
203.14380	2.6
205.10089	4.5
207.06473	3.0
207.11703	4.4
208.08904	2.6
209.09642	7.3
209.75139	2.7
210.15871	2.8
211.11255	5.8
211.14934	3.1
213.05498	3.6
213.12758	3.0
215.06870	3.1
215.10672	11.5
215.17949	4.4
217.05026	7.7
219.11703	2.3
219.21178	3.6
223.11229	4.5
225.09097	3.3
225.12799	4.9
227.10681	10.7
227.12737	3.6
231.11691	3.0
232.12630	3.3
237.09303	3.1
237.12793	3.4
239.10806	3.3
239.17902	6.7
239.23689	2.8
241.08704	3.1
241.12268	5.3
243.10194	3.5
243.17401	4.6
245.08229	2.5
251.10739	4.9
257.11679	9.9
257.19028	12.5
261.22168	3.4
265.16028	2.4
267.10178	2.9
267.17453	6.0
269.11713	7.6
271.09567	2.7
275.20099	30.5
277.21655	5.1
279.10135	5.5
279.17438	9.3
281.11731	5.1
283.16940	10.5
285.11322	17.6
289.15753	6.5
293.21173	5.6
297.11295	15.4
297.18610	5.6
303.12219	5.1
307.16949	23.8
309.18430	3.2
311.22528	2.3
315.12094	8.1
317.15286	9.2
319.70493	2.4
321.13248	7.2
325.17999	23.5
333.13315	9.7
335.16415	27.4
335.25803	14.9
349.23724	9.1
353.17468	56.8
371.18622	23.7
389.19693	27.5
473.23322	6.4
513.35571	4.2
529.38806	8.5
535.28064	2.9
535.41339	4.0
541.29425	3.5
581.36182	3.2
591.33075	2.9
609.35559	16.5
609.44916	24.2
627.36487	51.4
627.45972	33.4
637.78735	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.4
55.05509	1.9
55.66727	1.2
56.29383	1.1
57.03442	1.7
66.93773	1.0
67.05523	1.6
69.07089	2.7
69.49917	9.1
70.96978	1.5
79.01860	1.4
79.05482	1.8
81.03431	2.5
81.07057	4.4
81.44455	1.3
85.02913	3.4
91.05485	7.4
93.07045	2.9
95.08614	5.0
98.97575	1.7
102.04682	1.8
105.07063	4.5
107.04992	2.1
107.08583	3.1
110.03671	1.3
119.04977	6.2
121.06558	1.6
121.10148	1.6
122.02734	2.6
123.04345	1.3
124.05188	1.5
130.04141	4.3
131.04916	3.2
133.02820	1.0
133.06516	1.3
135.04449	2.9
136.05087	1.6
137.02339	6.3
137.06023	6.8
137.09593	1.3
145.02901	1.5
146.03653	4.8
147.04424	20.7
148.05045	1.5
149.02313	1.1
149.05977	1.4
150.06793	2.2
151.03929	4.6
151.07584	2.6
153.01880	1.2
161.06004	9.6
162.06805	10.8
163.03937	4.4
163.07573	1.7
165.01843	6.5
167.03484	1.3
167.07097	4.1
177.01878	3.2
179.07100	1.4
183.02870	2.0
195.02968	2.9
217.05003	4.8
227.06918	1.2
229.04991	2.6
241.05046	1.5
243.02824	2.4
243.06624	2.9
245.04536	1.3
254.05853	3.6
255.06679	1.2
256.07391	2.9
257.04596	6.1
258.05359	1.5
261.04031	3.0
265.04935	2.5
266.05853	1.9
267.06525	2.3
269.04474	22.8
270.05267	10.4
271.05969	6.2
272.06909	3.6
281.04419	6.2
282.05307	3.3
283.05994	7.0
284.06821	3.1
286.04761	1.6
294.05563	1.9
295.06079	5.5
296.06747	1.7
297.04080	4.8
297.07440	1.6
298.04758	15.1
299.05536	47.8
300.06372	12.2
307.06171	1.4
309.04092	3.5
309.07669	6.0
310.04816	5.1
311.05478	13.9
312.06311	4.1
313.07257	3.1
321.07477	1.2
323.05496	8.1
324.06464	2.3
325.07117	1.8
327.05042	4.6
328.05844	12.0
329.06570	9.2
337.07208	5.2
338.07925	3.7
339.04956	2.3
339.08704	1.7
341.06732	3.4
352.06195	1.6
353.06601	5.8
365.06561	4.4
383.07687	9.1
401.08923	2.2
417.10016	1.3
429.09558	1.4
433.09076	2.6
445.09207	8.9
445.26828	1.2
447.10815	2.8
459.10898	12.1
463.10263	2.0
465.11914	8.7
471.10864	2.8
473.12323	2.9
477.11893	15.4
485.12210	1.4
489.11914	22.8
499.13824	2.2
501.11893	1.8
507.12927	45.9
513.11975	2.4
517.40259	1.3
531.12787	11.7
532.72473	1.3
537.13995	5.2
555.13495	1.7
561.13995	7.6
573.14246	5.6
591.15094	25.4
609.16089	58.7
610.15997	1.5
627.17151	100.0
627.29425	3.6
628.17737	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82307	0.2
53.03913	0.4
55.05514	0.6
55.15610	0.3
56.96549	0.5
57.03433	0.4
67.05521	1.4
67.14241	0.3
69.03410	0.9
69.07051	0.7
70.52386	0.3
70.89786	0.7
73.02898	0.4
79.05508	1.5
81.03400	1.2
81.07057	2.6
82.07384	0.4
83.04957	0.4
85.02889	1.2
85.06573	0.3
91.05487	2.6
93.07004	1.1
95.04958	0.6
95.08594	1.2
97.02866	0.6
97.06476	0.4
99.08096	0.4
102.04692	0.8
103.05437	0.3
105.07043	1.8
107.04946	0.7
107.08547	0.6
109.02871	0.9
109.10147	0.5
110.03694	0.6
111.04458	0.4
115.05434	0.3
118.04166	0.4
119.04923	1.0
119.08593	0.6
120.08247	0.3
121.10119	0.8
123.04408	0.7
123.11683	0.8
125.06030	0.4
127.03899	1.0
128.04240	0.3
130.04135	1.1
131.04930	0.5
131.08575	0.3
133.10146	0.4
135.04395	0.5
136.05190	1.1
137.05971	1.3
146.03616	1.5
147.04414	3.1
147.11673	1.8
148.05200	3.0
148.12025	1.1
149.05859	0.4
151.07547	1.7
153.01846	3.5
161.06020	2.5
162.06775	1.0
163.03906	0.8
165.12752	0.6
166.13135	0.4
167.07016	1.1
191.10652	0.4
203.03389	1.8
229.05005	3.2
230.29045	0.3
241.04965	0.6
242.05748	7.6
249.23111	0.3
253.04974	2.9
257.04474	39.9
258.05261	13.0
259.05682	0.4
267.15982	1.3
268.16241	1.0
269.04456	1.2
270.05209	2.0
271.06085	1.1
285.03952	6.2
286.04745	25.9
286.17191	0.4
287.05515	12.9
295.05804	0.5
297.03925	4.3
299.05502	1.7
300.06464	0.5
311.05530	0.6
327.04974	1.4
341.06674	1.5
373.07098	0.5
375.08673	0.5
387.08798	0.7
389.06522	0.5
391.08081	0.3
394.19452	0.3
403.08197	1.0
411.20074	0.5
412.20358	1.3
415.08258	1.0
419.07761	0.4
429.21246	2.0
430.21655	3.4
432.08643	2.0
435.10767	3.7
447.10806	20.0
465.11871	100.0
466.12183	1.9
558.66614	0.3
583.31128	0.4
627.17157	1.4
627.29156	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1564
Annotation	Quercetin 3-glucosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
55.01876	1.0
57.03431	1.8
61.02922	1.2
69.03430	2.8
70.06593	2.8
71.55640	1.4
73.02913	1.0
81.03406	3.2
84.04558	0.8
84.06081	0.7
85.02912	10.0
93.03393	1.2
95.04993	1.2
96.48038	0.7
97.02895	3.4
99.04466	0.9
103.03928	1.3
105.03388	1.1
105.07021	1.0
107.04954	1.3
109.02900	2.3
111.00793	0.9
114.04116	0.7
119.04984	1.1
121.02879	2.5
123.04443	3.8
127.03928	1.6
133.02847	2.8
135.04451	1.3
137.02341	3.7
139.03922	1.8
145.04927	1.5
147.04478	1.5
149.02298	1.6
149.06145	1.0
150.03093	0.8
151.03912	8.5
153.01830	13.7
161.05997	1.1
163.03932	1.8
165.01848	2.2
167.03462	0.8
173.02370	1.3
173.05995	0.9
175.03874	1.5
177.01808	4.9
177.05495	1.7
179.03426	1.5
187.03929	1.8
189.01884	3.8
190.02585	0.9
191.01791	0.8
191.03406	3.1
195.02856	4.0
201.05531	2.5
203.03410	3.4
205.05077	1.7
207.02914	4.9
215.03406	1.6
217.05022	2.7
219.02910	5.5
219.95964	0.8
221.04465	1.8
227.03413	1.4
229.04950	5.7
233.04446	2.3
243.02979	1.9
243.06651	0.9
255.02724	1.1
257.04535	4.4
273.03989	1.1
283.06445	0.8
285.03946	2.9
299.05603	1.3
300.06421	1.0
303.05008	100.0
311.05511	2.0
312.06461	0.9
313.07056	1.9
315.04935	6.6
316.05923	1.7
326.04114	5.8
327.05011	28.5
328.05704	2.2
329.06628	4.0
339.05008	15.6
340.05725	3.9
341.06546	4.8
345.06134	7.7
351.04932	2.4
353.06555	8.1
354.07404	2.9
355.04291	1.6
355.08139	2.2
357.06067	30.8
357.10519	1.8
365.06506	3.3
367.08215	5.7
369.06076	20.7
377.06598	1.3
379.08090	3.7
381.06064	11.6
383.07611	7.9
387.07172	7.0
393.05954	5.6
395.07675	2.3
397.09348	4.3
399.07202	2.8
405.06116	2.0
407.07663	4.0
411.07114	20.6
421.09470	1.5
423.07120	10.4
425.08609	1.0
429.08148	2.1
435.07135	7.4
441.08136	13.8
447.08618	2.2
449.08881	1.2
453.08167	9.0
459.09290	14.6
465.10388	12.6
471.09341	11.7
471.20209	1.0
477.09299	3.1
489.10342	34.5
495.08990	2.4
507.11417	7.6
513.10297	9.8
525.10138	1.0
531.11212	5.9
537.10187	2.8
543.11401	8.1
555.11475	7.8
561.12286	2.7
573.12512	13.1
591.13660	7.7
609.14478	6.3
609.23663	1.2
627.15918	1.4
648.28827	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93118	1.4
52.09055	1.3
53.03947	4.5
55.01867	2.4
55.05524	7.4
57.03429	7.2
57.07051	1.7
61.02920	3.5
67.05519	18.2
69.03434	15.9
69.07084	13.3
70.06589	1.6
71.04987	5.5
71.43996	2.6
73.02885	1.3
79.05491	15.7
81.02979	2.8
81.03423	32.9
81.07062	55.5
83.04983	6.2
83.08615	5.3
85.02908	14.2
85.06525	4.7
86.09682	1.6
87.04437	2.0
91.03999	1.7
91.05478	19.4
93.07066	10.9
95.04975	4.7
95.08604	14.6
97.02895	6.5
97.06566	7.0
98.97549	1.4
99.04455	6.4
99.08078	4.5
103.03935	4.4
105.07038	27.3
106.61530	1.7
107.04971	3.4
107.08617	10.8
109.02872	17.5
109.06527	4.7
109.10140	3.5
111.04451	1.8
115.05464	1.4
117.07063	1.4
119.04965	2.6
119.08595	21.7
121.10130	14.2
123.08039	2.5
123.11715	21.3
127.03912	23.1
127.07555	1.7
129.07011	2.8
133.06508	1.5
133.10136	4.2
135.11674	2.6
137.06003	3.0
137.09572	1.8
137.13274	3.2
145.04974	2.1
147.04384	4.1
147.11699	61.1
148.05080	2.1
149.09663	2.3
151.07576	2.0
153.01833	4.0
157.10135	4.0
163.03946	1.7
165.12769	29.3
167.07037	1.4
175.11217	6.7
183.06516	7.3
183.13829	3.1
193.12268	5.7
203.03391	1.6
229.04951	2.2
229.14398	8.6
242.05803	5.0
257.04489	28.8
258.05203	10.5
267.15933	52.8
271.05951	2.0
285.03900	5.9
285.16995	19.6
286.04752	18.9
287.05524	9.2
297.03912	3.7
299.05466	2.0
307.26224	2.7
313.16458	5.6
327.18097	2.2
337.16492	8.4
355.17572	8.3
365.73810	1.6
393.19128	12.3
411.20157	29.6
429.21249	100.0
430.21329	2.9
435.10223	3.7
447.10785	15.2
447.22125	4.2
465.11850	80.3
492.33893	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.01875	2.4
55.05519	4.8
56.29237	1.5
56.96581	1.6
57.03452	7.3
60.47869	1.5
61.02922	2.0
67.05511	18.2
69.03443	11.7
69.07063	9.4
69.52018	5.0
69.52451	5.4
70.06599	1.9
71.04991	4.0
77.39600	1.4
79.05504	11.6
81.03426	26.9
81.07064	44.9
83.04988	6.2
83.08617	3.8
85.02914	12.2
85.06561	2.9
86.09724	2.3
91.05484	17.7
93.07063	7.0
95.04996	3.7
95.08613	13.0
97.02905	7.5
97.06545	3.3
98.97559	1.7
99.04464	5.1
99.08086	2.1
101.89699	1.4
103.03959	3.7
105.07038	26.3
105.07703	2.7
107.08611	9.9
109.02885	16.3
109.06537	5.0
109.10164	3.4
119.04922	3.5
119.08595	14.6
121.10143	12.4
123.08053	2.7
123.11725	14.3
127.03931	16.5
127.07639	1.9
129.07022	2.0
131.08591	1.8
133.10152	4.7
137.05969	3.2
137.13229	2.2
145.04974	2.2
145.10141	2.7
147.04420	9.8
147.11703	55.4
157.10170	4.2
165.12778	22.1
175.11198	2.3
183.06517	4.8
183.13872	2.4
185.22997	1.7
193.12268	3.7
229.14415	10.7
267.15952	34.7
285.16995	17.2
313.16418	2.3
327.18039	2.9
337.16595	8.7
355.17758	7.8
393.18954	8.4
411.20169	26.2
429.21252	100.0
430.21762	2.5
447.22098	3.7
553.01953	1.8
591.26086	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	626.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	15.1
66.62141	1.7
70.02953	4.3
71.55029	3.5
72.04516	4.3
74.00664	13.7
83.06120	9.0
84.04501	20.7
85.04047	1.7
90.05542	6.9
92.01669	3.3
98.02415	2.7
99.05582	3.5
109.02891	2.3
111.04443	2.1
126.05533	47.4
127.04103	2.6
127.05026	15.3
128.41525	2.3
129.06596	12.7
130.04971	3.1
139.03915	46.9
141.06598	5.7
144.06554	29.5
145.06119	5.3
147.04413	2.6
152.01709	2.8
153.06572	3.7
155.08182	3.5
158.02748	2.4
159.07664	20.3
163.03917	8.3
164.04663	3.3
165.00081	5.6
169.06100	4.3
171.01122	13.9
177.01846	1.9
178.04916	9.9
179.01570	3.1
180.99525	4.9
183.01079	5.8
190.03133	1.9
191.04805	20.4
195.01131	6.6
197.02696	4.8
198.02177	4.0
199.07242	4.0
211.00470	1.9
212.03743	2.7
224.03813	12.5
225.02129	3.6
231.04456	4.3
242.04865	3.8
255.01207	4.6
273.02148	4.6
286.04654	5.4
287.05505	3.2
301.01492	2.7
319.02734	58.2
323.06873	3.2
329.07919	7.8
341.08060	100.0
345.04202	3.4
359.09149	18.4
399.08530	13.0
479.11237	19.4
488.13260	15.8
497.12195	3.4
519.10675	7.1
537.11804	11.6
590.26709	2.2
604.34125	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	625.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.2
55.05515	0.8
67.05516	2.0
67.05848	0.4
69.07068	0.6
70.24118	1.1
79.05495	1.7
81.07063	1.9
83.08643	0.6
91.05469	1.3
93.07046	1.7
95.05005	0.4
95.08595	1.4
98.21437	0.4
105.07030	1.0
107.08611	0.8
109.10153	0.7
117.07027	0.5
119.08582	0.8
121.10170	0.3
131.08603	0.7
133.10153	1.1
135.11717	0.5
145.10239	0.5
147.11662	0.3
151.11208	0.4
152.49016	0.3
159.11684	0.3
174.28941	0.3
193.28882	0.3
273.18610	0.9
282.46213	0.3
282.51947	0.3
291.19635	1.2
309.20444	0.6
327.21423	3.2
337.23648	0.5
355.24567	7.7
495.10587	0.3
625.46539	100.0
626.46942	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36042	1.1
53.03949	4.8
55.01883	6.9
55.05516	29.5
57.03456	6.3
57.07080	3.0
59.05016	1.6
62.70290	1.1
65.03938	3.0
67.05509	55.8
69.03438	2.2
69.07069	20.5
71.04994	5.8
74.78114	1.2
79.05502	39.7
79.05971	2.2
81.03424	2.5
81.07063	48.8
83.04987	3.8
83.08632	13.7
85.02917	1.3
85.06553	2.7
91.05487	32.7
93.07051	33.5
95.04991	5.5
95.08617	34.9
97.06525	6.8
97.10177	11.5
98.21441	2.8
99.08092	2.7
103.05536	1.3
105.04540	1.3
105.07036	29.3
107.04973	4.1
107.08604	29.3
109.06538	5.1
109.10159	20.0
111.08089	3.5
115.05427	2.6
117.07028	18.3
119.08592	27.7
121.06510	2.6
121.10152	12.7
123.08109	2.5
123.11719	8.9
125.09638	8.4
128.06247	7.3
129.05504	2.2
129.07027	17.9
129.07947	2.1
130.07803	1.6
131.08582	28.1
133.06473	2.2
133.10136	19.3
135.08073	2.5
135.11714	9.4
137.09634	2.0
139.11119	1.6
141.06963	6.1
142.07811	5.3
143.08565	21.3
145.06537	1.5
145.10123	19.3
147.08105	2.8
147.11731	10.8
149.09671	2.7
149.13286	4.4
151.11211	1.8
153.07043	1.7
155.08548	15.5
156.09340	2.3
157.10149	19.7
157.11319	2.0
159.08080	2.1
159.11708	18.6
161.09645	2.1
161.13278	9.3
163.11197	4.4
165.06993	1.3
166.07750	1.4
167.08644	5.5
169.10132	14.3
171.10248	2.0
171.11685	15.0
173.09688	2.0
173.11876	2.4
173.13264	11.3
175.11188	1.8
175.14871	2.8
179.08556	2.9
181.10100	8.3
182.10979	1.6
183.11697	18.1
185.13258	12.1
187.11247	2.2
187.13335	2.3
187.14896	5.5
189.11273	4.6
189.16496	2.1
191.17918	1.3
193.10153	3.0
194.11028	1.6
195.11690	9.6
197.13284	14.0
199.11304	2.1
199.14880	8.7
201.16492	1.9
205.10312	1.4
207.11726	3.6
209.13269	7.8
211.14827	8.0
213.16444	5.4
215.14372	2.0
215.18004	1.9
217.15897	1.3
221.13324	2.9
223.14850	5.1
225.16449	5.9
227.12762	6.3
227.18054	3.1
235.14825	2.3
237.16400	3.1
239.18054	3.8
241.19551	5.0
243.15973	2.4
249.16537	1.7
251.17870	2.6
253.19609	2.2
255.17522	1.7
257.19104	2.7
259.20612	5.1
261.22198	1.3
263.17966	2.4
265.19632	1.7
267.21280	1.4
273.18619	4.9
275.20135	5.6
291.19720	3.4
309.22192	2.1
315.23352	2.6
327.23306	2.3
333.24429	2.5
335.25592	1.4
339.23297	1.7
341.24826	1.6
347.22345	1.6
349.23862	3.5
365.28601	7.3
367.26459	1.6
379.30225	3.0
381.31766	2.6
383.29825	2.7
403.30185	2.2
421.31198	3.2
439.32233	2.7
444.19165	1.2
513.35822	13.5
515.38855	7.4
527.37549	3.7
533.39783	8.3
546.92688	1.4
551.41211	6.5
555.36975	2.3
589.42877	2.0
597.45038	2.1
607.43585	40.1
608.44434	1.8
625.44714	100.0
626.44922	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	625.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.8
55.01630	2.1
55.01882	30.9
55.05517	26.6
57.03440	10.3
57.07078	4.4
65.03960	4.1
67.05178	3.4
67.05517	52.2
69.03437	1.9
69.07076	58.2
70.58684	5.9
71.04991	3.8
71.08618	2.2
72.90116	1.9
73.06496	2.1
74.29645	1.6
77.03945	3.1
79.05498	51.3
81.03426	7.2
81.07066	72.4
83.04996	10.9
83.08636	13.6
85.06535	3.3
91.05489	57.0
92.05053	1.9
93.07050	50.3
95.01322	4.9
95.04980	11.9
95.08614	46.7
97.06540	38.9
97.10185	6.0
99.08096	2.3
105.04562	2.2
105.07040	57.5
106.87139	2.0
107.04967	14.6
107.08600	30.9
109.06564	10.6
109.10169	17.1
111.04465	2.0
111.08066	2.8
115.05465	3.4
117.07040	27.7
119.08591	43.8
121.06524	6.8
121.10155	20.5
122.62860	2.0
123.08096	6.2
123.11739	4.8
125.09633	5.5
128.06248	6.4
129.05518	3.8
129.07008	18.6
130.07758	2.2
131.08575	40.4
133.06616	2.0
133.10143	37.4
135.08073	6.8
135.11676	11.5
137.09647	3.8
141.07011	10.5
141.11346	2.9
142.07762	3.2
143.08577	21.0
144.37997	2.0
145.06523	5.2
145.10138	36.2
147.08113	3.8
147.11673	22.6
149.09665	8.7
149.13297	9.2
151.11217	2.3
155.07402	2.0
155.08542	10.2
156.09358	2.3
157.10144	21.1
159.11705	28.1
161.09692	3.9
161.13246	14.9
163.11261	7.9
167.08621	7.0
169.10172	16.3
170.10857	2.3
171.10298	4.2
171.11676	21.0
173.09724	2.3
173.13301	16.5
175.11229	3.5
175.14888	7.0
177.12840	3.0
179.08534	2.7
179.14333	4.9
181.10175	10.2
183.11740	14.3
185.13277	13.3
187.11247	3.7
187.14874	7.6
193.10225	3.5
195.11723	7.2
197.13245	13.7
199.14854	13.2
201.16438	3.9
207.11714	4.2
209.13322	7.6
211.14807	4.6
213.16505	4.8
215.17831	3.0
217.19682	3.2
221.13223	2.7
223.14853	5.7
227.14555	2.5
227.18146	2.6
231.21117	3.0
235.14893	2.3
237.16457	5.2
239.17969	4.9
239.60881	1.8
241.19568	15.2
249.16354	2.2
257.19107	5.6
259.20618	20.1
273.18634	7.2
275.20114	39.5
277.21838	4.9
291.19562	2.8
293.21378	3.3
299.23962	2.2
313.21698	2.7
315.23151	2.8
330.29883	2.1
331.22574	3.8
333.24268	20.4
335.25879	4.4
349.23773	22.7
351.25525	2.2
354.63522	1.8
417.32208	2.8
419.33231	3.9
421.30783	2.7
435.32800	7.9
437.34216	17.1
453.33582	2.3
483.34637	2.4
501.36188	3.2
509.36154	3.3
511.38071	11.1
513.36041	4.2
515.38770	6.7
527.37421	10.5
529.38971	5.3
533.40094	8.0
551.40924	7.2
597.45068	3.0
607.43616	48.2
625.44958	100.0
626.45282	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55529	0.5
53.03937	1.8
55.01881	3.3
55.05515	9.6
57.03441	1.4
57.07077	0.9
59.05000	0.5
60.31920	0.4
63.98220	0.5
65.03938	1.5
67.05508	19.9
67.05873	0.9
69.03444	2.6
69.07070	15.1
69.26009	4.3
71.04990	1.0
79.05496	17.2
81.03419	1.4
81.07061	17.6
83.04973	2.4
83.08624	3.0
84.70765	0.4
85.06556	0.6
91.05486	13.8
93.07050	17.8
95.01345	0.5
95.04974	7.1
95.08616	11.4
97.02891	1.7
97.06546	4.7
97.10178	3.1
103.05487	0.6
105.07035	10.3
107.04966	3.2
107.08602	9.6
109.06535	3.2
109.10168	6.0
111.08097	0.7
115.05461	0.8
117.07011	4.6
119.08582	8.7
119.09360	0.7
121.06527	1.5
121.10153	5.2
123.08068	1.8
123.11718	1.1
125.09621	2.2
128.06248	1.1
128.95998	0.5
129.07018	3.1
131.08569	7.8
133.06500	0.9
133.10138	5.5
135.08069	2.3
135.11705	3.9
139.07599	0.4
141.07016	0.9
142.07826	0.5
143.08551	3.1
145.06503	0.5
145.10150	4.4
147.08080	1.5
147.11687	3.5
149.09666	1.2
149.13274	2.2
155.08586	1.4
157.10115	2.4
159.11743	2.8
161.09665	0.9
161.13234	2.6
163.11246	0.8
165.09146	0.5
167.08578	0.8
169.10139	1.6
171.10364	0.6
171.11662	2.6
173.09706	0.6
173.11890	0.5
173.13272	2.2
175.11229	1.3
175.14870	1.1
177.12822	1.0
179.14320	0.6
181.10182	0.9
183.11731	1.8
185.13351	1.7
187.11223	1.0
189.11240	0.9
195.11894	1.1
195.13829	0.9
197.13295	1.0
199.14885	1.1
201.16418	0.8
205.12320	0.5
207.11755	0.5
208.41377	0.5
223.13208	2.6
227.18079	1.0
238.64798	0.5
239.18230	0.5
241.19635	0.8
243.21056	0.6
245.18953	0.9
249.14873	0.5
254.07753	0.5
257.19254	0.5
259.20728	1.6
261.22333	0.9
265.07547	0.5
273.18530	5.5
275.20178	2.9
277.21432	0.5
291.19550	26.7
293.20950	0.8
309.20395	0.6
327.21490	1.2
329.24652	0.5
333.24319	1.7
335.25974	1.5
337.23795	0.6
347.22324	1.4
349.24036	1.8
355.24530	8.7
435.32880	0.7
437.34366	1.0
487.39297	0.6
511.38177	1.0
513.35834	0.6
515.38538	0.8
527.37640	0.9
533.40344	1.0
553.23694	0.5
607.43384	4.2
625.46191	100.0
626.46747	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12907	5.2
55.01879	10.4
57.03439	17.9
60.59344	4.5
60.77033	4.2
69.03442	43.8
81.03426	9.9
85.02914	56.3
87.04474	21.3
97.02889	32.5
105.03415	8.7
109.02886	13.6
115.03931	13.4
121.02865	17.6
123.04449	13.2
133.04926	7.7
133.06430	5.5
135.04454	6.1
139.03911	12.5
141.06949	5.8
147.04414	16.3
151.03952	13.9
157.06578	7.5
159.04440	9.3
161.06004	13.7
163.03946	22.1
169.06639	6.0
171.04437	16.4
175.03947	28.6
177.05510	22.4
181.04979	22.9
181.06371	5.9
185.06007	11.5
187.03894	20.1
189.05479	31.4
191.03452	6.5
193.04985	43.2
199.04019	7.8
201.05443	27.9
203.03400	12.1
203.07016	8.6
205.04993	59.3
207.06552	6.8
211.06125	13.5
213.05505	17.0
215.07011	7.7
217.05058	46.7
219.02950	8.7
219.06584	22.2
221.04474	21.8
223.06000	52.9
225.05524	8.6
227.07123	13.0
229.05038	18.8
231.06511	38.4
235.06036	81.4
241.04999	12.9
243.06612	15.3
245.04506	5.6
245.08070	15.6
247.06070	83.1
249.07642	8.9
253.04828	7.1
253.07117	10.6
255.06465	11.3
257.04343	6.2
259.06036	99.1
265.07327	6.1
271.06042	40.2
273.07593	31.7
277.07095	79.8
283.06097	21.8
285.07629	10.6
287.05542	40.4
289.07120	100.0
297.07678	15.3
301.07083	85.7
307.08340	29.5
309.07437	6.9
313.06848	55.9
319.08264	36.2
325.06537	20.9
325.09259	68.2
331.08133	14.8
337.09570	37.9
343.08124	53.2
355.10931	40.3
361.09259	42.5
367.08160	12.0
373.08881	25.9
379.10367	45.5
385.09210	17.3
391.10217	42.9
403.10123	28.6
405.18759	5.6
409.11035	19.8
421.11435	40.6
439.12360	45.6
457.13535	34.5
603.04578	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	625.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00261	0.7
53.03913	3.4
55.01879	3.6
55.05514	22.0
55.05760	0.8
57.03407	1.9
57.07070	1.2
65.03906	2.7
67.05508	43.2
69.03438	9.1
69.07072	25.9
70.67434	1.9
71.04955	1.9
79.05496	40.1
81.03417	3.9
81.07063	36.2
83.05001	3.5
83.08636	6.5
85.06523	0.8
91.05488	25.8
93.07050	37.2
94.04141	0.8
95.04984	7.3
95.08612	21.7
97.02892	9.5
97.06546	3.7
97.10187	8.1
103.01491	0.6
105.04481	1.4
105.06416	1.2
105.07041	17.4
107.04947	4.8
107.07890	1.0
107.08601	20.0
109.06520	3.3
109.09486	0.9
109.10162	13.7
111.04411	0.8
111.08054	2.1
113.59005	0.7
114.92605	0.6
115.05448	0.8
117.06353	0.7
117.07021	8.5
119.07820	1.2
119.08591	14.6
119.40215	0.7
121.06494	2.4
121.10155	12.6
123.08035	2.3
123.11729	3.1
123.12495	0.7
125.08852	0.8
125.09629	6.9
126.33700	0.7
129.06998	4.1
131.08569	10.3
133.06485	1.1
133.10132	7.0
135.08009	2.8
135.11711	7.2
137.09601	2.6
137.13228	0.6
139.11150	0.6
141.06990	0.7
142.07733	1.0
143.08591	4.3
145.10135	8.4
147.08049	4.4
147.11719	4.5
149.09679	1.2
149.13254	5.1
151.11111	0.9
154.35783	0.8
155.08563	0.9
157.10129	3.3
159.08098	0.8
159.11710	5.3
161.09612	2.1
161.13284	1.6
163.14786	1.2
165.09135	1.4
169.10028	1.2
171.11655	3.3
173.09436	0.9
173.11780	1.0
173.13237	2.8
175.11157	1.9
175.14836	1.1
177.12761	1.4
181.10109	0.8
183.11693	0.7
185.13269	1.4
187.11259	1.2
187.14801	1.1
189.11198	2.4
195.11754	1.1
195.13774	1.7
197.13281	0.9
201.16318	1.3
205.12263	1.5
223.13280	14.5
223.82027	0.6
227.12691	1.6
227.17989	1.2
243.21176	2.1
245.18990	1.3
249.14865	1.2
255.17532	1.2
261.22131	4.0
273.18509	12.6
273.21268	1.1
291.19559	89.6
292.20007	1.0
299.23535	0.8
309.20624	1.2
317.24890	1.9
335.25876	2.9
336.26144	1.3
347.22296	1.2
355.24548	2.8
365.23431	1.0
366.72699	0.8
489.35730	0.9
514.51355	0.7
527.37616	0.8
533.39752	0.8
607.43994	3.7
625.45422	100.0
626.45856	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1768
Annotation	Narcissin
Peak:m/z	Relative Intensity
53.03950	0.6
55.01871	1.0
56.09443	0.6
57.03426	2.5
67.02920	0.5
67.05498	1.2
69.03415	2.1
69.07068	0.8
69.62303	3.3
69.62704	1.1
71.04601	0.7
71.04998	11.0
73.02911	0.8
81.03403	1.1
81.07040	1.2
85.02438	0.9
85.02914	15.4
85.06549	1.0
87.00856	0.8
91.05466	1.0
93.03402	0.8
93.07053	1.5
95.08620	1.4
97.02901	2.0
98.20781	1.4
102.67590	0.7
105.06998	1.0
107.08579	0.9
109.02875	0.9
116.98631	0.6
121.02875	0.9
121.06509	0.9
121.10115	1.0
127.03909	1.5
129.05502	4.1
131.04828	0.6
133.10130	0.7
137.06000	2.2
145.05000	1.3
147.06532	0.9
151.03909	1.0
153.01854	5.4
158.25134	0.6
172.07555	0.5
175.07497	0.6
219.10201	1.5
228.04289	1.4
229.05055	2.3
245.04590	1.0
246.05255	1.9
257.04510	1.9
273.03900	1.5
274.04840	3.6
285.04004	4.4
301.06967	3.4
302.04227	11.1
312.13260	0.7
316.05820	0.8
317.06586	100.0
318.06830	1.4
331.08075	3.2
337.07089	1.3
625.21936	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29898	2.0
55.01876	2.7
57.03446	2.9
69.03443	3.6
69.03802	2.0
71.44794	2.4
71.45129	2.7
76.02230	6.7
79.05476	2.3
81.03435	10.0
81.07079	3.2
82.03765	2.0
84.04501	4.6
85.02917	8.5
86.09706	3.3
90.05573	5.0
91.05477	2.4
93.07055	2.6
95.05004	3.2
97.02921	1.9
105.07024	3.1
107.04970	2.5
107.08587	1.8
109.02872	3.9
116.01732	2.3
119.08593	2.7
122.06188	1.8
126.05564	2.2
127.05022	2.1
130.05020	3.4
130.82289	1.9
135.04445	7.1
137.02335	24.4
149.06064	2.3
158.02710	10.5
161.02397	3.7
163.03853	2.1
165.01828	3.1
175.03954	2.7
176.03781	4.3
177.01866	6.3
179.03348	3.0
187.04042	2.5
189.01791	9.8
191.03426	4.9
193.06432	13.7
193.12247	3.4
194.06868	5.0
195.02898	6.7
201.01837	2.3
203.03395	13.8
207.02922	8.2
209.04214	2.1
215.03323	2.7
217.01428	3.1
217.05022	9.3
219.02986	2.9
221.04448	4.6
227.03546	2.6
229.04913	3.9
235.05934	2.5
243.02875	2.7
255.02936	6.0
257.04346	2.0
271.06271	2.2
273.03851	3.0
283.06110	2.9
284.06836	3.3
295.06018	6.7
296.06979	2.9
299.05533	20.0
300.06348	3.1
301.07083	3.7
309.07654	4.8
310.04803	13.0
311.05521	100.0
312.06277	7.2
313.07043	15.8
322.10672	8.5
323.05530	57.3
323.11145	5.6
324.06259	12.6
325.07074	19.2
328.05652	3.2
329.06516	4.7
333.07660	3.6
335.05539	7.6
336.06366	5.9
337.07074	36.9
338.07861	7.4
339.05017	8.7
339.08698	4.2
341.06573	60.0
342.07233	4.5
349.07104	8.4
351.04895	8.0
351.08676	23.7
352.05786	5.3
353.06595	38.0
353.10754	3.7
355.08228	4.2
357.05911	2.5
361.07114	4.3
363.04672	2.7
363.08823	9.9
365.06549	32.1
366.07504	3.3
367.08328	12.2
369.06104	9.7
371.07968	3.3
376.05746	3.1
377.06500	17.4
377.10397	2.4
378.07187	3.4
379.08313	18.5
381.05762	4.0
381.09848	5.5
383.07791	5.5
389.06665	7.7
391.08148	5.8
393.06021	7.8
394.06882	2.4
395.07614	20.4
401.06723	5.5
406.06705	2.5
407.07645	44.6
409.09283	7.4
411.07120	4.2
419.07642	12.2
421.09320	3.1
423.06995	4.8
425.08679	46.5
431.09354	3.2
433.09125	3.8
435.06961	4.3
437.08566	17.7
443.09952	13.8
445.09393	2.6
451.10580	4.5
453.08115	3.7
455.09689	24.8
461.08551	2.3
471.09424	4.2
473.10846	34.4
479.09644	12.2
487.12479	3.6
491.09549	4.7
493.11578	3.9
497.10834	46.0
503.09674	9.5
505.13348	5.8
509.10812	41.6
511.12421	2.8
521.10938	21.0
527.11871	21.6
539.11847	31.6
553.13336	2.8
557.12964	40.2
571.14526	2.6
575.13959	34.2
584.35785	2.5
589.16034	4.4
593.14899	3.1
625.19666	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	625.177
Annotation	Rhamnocitrin 3-glucosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
53.03939	0.3
55.01855	0.4
57.03439	0.6
61.02925	1.0
68.99791	0.4
69.03438	2.9
70.06593	0.5
71.04973	0.4
71.55382	0.3
71.55746	0.3
81.03423	0.9
84.08157	0.6
85.02431	0.5
85.02915	8.0
86.09739	0.3
87.04486	0.5
97.02885	2.3
99.04483	0.3
103.03898	0.3
109.02878	1.0
127.03915	1.3
130.06586	0.6
131.39752	0.3
134.03635	1.5
145.04964	0.8
149.02354	0.3
149.06000	0.4
151.03903	0.4
152.01062	0.5
153.01842	4.1
157.07649	0.5
167.07019	0.3
179.03395	0.2
199.03903	0.4
202.06354	0.4
203.08209	0.5
213.05496	1.3
229.04948	2.6
230.05836	1.2
241.04997	6.2
241.07468	0.4
245.08147	0.4
255.06577	0.3
257.04425	0.4
258.05295	1.0
268.03806	0.3
269.04462	8.3
273.07642	0.4
285.03970	1.8
286.04752	18.9
287.05139	0.4
298.04700	0.7
299.05502	0.5
301.07095	100.0
302.07401	1.1
310.04626	0.5
311.09088	0.3
313.07065	5.0
324.06345	0.7
325.07074	1.3
328.05838	0.8
337.07205	0.7
338.07764	0.6
339.08597	0.9
343.08179	5.4
351.08423	0.3
353.10315	1.1
355.08176	0.9
367.08206	2.7
379.07904	1.0
381.09601	0.5
385.08893	0.4
391.07904	0.9
397.09152	0.9
409.09183	2.1
427.10373	1.3
445.11447	1.4
457.11307	0.3
463.12451	4.6
487.12491	0.9
505.13217	0.5
559.14441	0.6
607.16553	0.4
625.20599	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.177
Annotation	6-Methoxykaempferol 3-robinobioside
Peak:m/z	Relative Intensity
53.03928	0.3
55.01843	0.3
55.05519	0.3
57.03447	2.3
57.43093	0.3
59.05001	0.3
61.02916	0.7
62.17344	0.3
69.03448	1.4
70.06600	0.3
70.85339	0.8
71.05003	11.2
73.02913	0.3
75.04480	0.3
77.58043	0.2
81.03426	0.7
83.04964	0.8
84.88895	0.3
85.02917	15.6
92.02647	0.5
93.03416	0.7
97.02876	1.5
99.04491	0.3
100.11273	0.4
109.02878	0.6
118.36758	0.3
121.02881	1.1
127.03910	0.9
129.05482	3.6
139.03867	0.9
141.44325	0.3
145.04999	0.9
147.06528	1.0
151.03891	0.5
153.01851	5.4
153.03009	0.6
157.24440	0.3
165.01843	0.4
177.05452	0.7
182.15453	0.7
182.67737	0.3
201.05508	0.4
203.03329	0.6
210.14932	0.6
217.04951	0.7
218.05771	0.4
219.02989	0.4
227.18015	0.3
228.04199	1.2
229.04956	2.9
231.02763	0.5
245.04480	1.3
246.05249	1.4
257.04456	1.8
261.07620	0.4
267.65833	0.3
273.04010	2.3
274.04755	3.6
284.03189	0.3
285.03964	3.6
294.05301	0.3
295.06058	0.5
301.03455	0.6
301.06961	0.4
302.04230	12.3
307.06027	0.7
309.07547	0.9
315.05127	0.3
316.05853	2.9
317.06595	100.0
318.06906	1.3
325.07150	0.4
331.08139	8.9
337.07144	1.3
355.07892	0.5
367.08176	0.5
409.09225	0.6
429.07849	0.4
439.09940	0.5
472.59003	0.3
479.11737	0.4
504.75967	0.3
531.10742	0.3
625.21942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1767
Annotation	PROTOPORPHYRIN IX CONTAINING ZN
Peak:m/z	Relative Intensity
50.32633	1.2
55.01881	1.8
56.06375	1.3
57.03418	4.2
59.80180	1.2
61.02928	2.8
63.20185	1.4
66.88893	1.1
69.03417	2.3
71.27340	1.2
71.55392	2.2
73.02909	1.3
76.70346	1.3
81.03418	2.9
85.02926	8.2
93.03423	2.2
94.56897	1.2
95.01297	1.4
95.04995	2.1
97.02892	2.3
103.03934	3.1
107.05016	1.9
109.02928	1.8
111.04427	2.3
123.04405	1.9
132.89705	1.3
133.06464	1.3
135.04468	1.7
136.36041	1.3
137.02344	10.7
147.04414	2.3
148.05199	1.5
149.05998	10.5
151.03917	33.1
151.05063	2.3
161.02370	1.8
161.73746	1.3
163.03851	2.2
175.03891	4.4
177.01849	3.1
177.05502	1.4
179.03456	3.7
187.03915	1.9
189.01779	7.1
189.05600	1.5
191.03432	5.9
195.02896	6.5
201.01921	3.1
203.03439	6.1
207.02948	8.2
215.03453	2.7
217.05014	4.2
219.03001	6.2
221.04501	3.0
227.03410	2.5
229.04922	4.4
231.02892	2.1
233.04509	3.5
243.02901	2.3
253.04935	1.8
255.02917	4.9
257.04477	4.1
273.04010	2.1
281.04590	2.7
282.05167	2.8
283.06064	2.5
284.06622	3.0
285.03964	2.5
292.07397	1.9
294.05145	1.7
295.06052	3.2
296.06793	4.0
297.07504	3.0
298.08319	4.0
300.05972	1.7
301.07162	2.0
303.04865	1.4
308.06738	2.3
309.04108	3.2
309.07660	5.8
310.04733	13.6
310.08453	3.9
311.05533	3.4
311.09161	4.6
312.06281	6.7
313.07169	7.2
314.07443	1.5
322.04694	9.3
322.08279	2.2
323.05429	5.9
323.09003	2.9
324.06326	25.4
325.07086	82.3
326.07657	4.8
327.08676	7.2
334.04605	2.8
334.08307	2.8
336.06265	12.7
337.07111	54.5
337.11160	3.1
338.07874	17.4
339.05112	2.5
339.08694	14.3
340.05743	4.7
343.08298	6.7
347.09290	2.1
348.06256	3.4
348.10184	1.7
349.07065	6.4
350.07941	8.5
351.08661	25.4
352.06000	7.1
352.09454	7.9
353.06506	3.7
353.10306	4.1
355.08170	100.0
356.08572	2.8
361.07132	2.5
362.07782	5.8
363.08438	7.1
364.05557	2.0
365.06763	1.8
365.10364	13.8
366.07184	9.7
367.08133	63.2
368.08527	1.5
369.09750	2.9
375.08524	2.9
376.05521	2.7
377.06439	1.6
377.10376	10.9
379.08163	32.6
380.08765	5.0
381.09772	24.5
383.07455	2.3
385.09256	25.6
387.08545	2.1
389.06485	3.2
390.07245	4.2
391.08011	19.7
391.12289	2.2
393.09729	8.1
395.07886	1.4
395.11469	12.3
397.09167	4.6
401.10242	1.6
403.08191	5.0
404.09055	1.5
405.09787	12.2
406.06912	1.6
409.09225	64.8
415.08142	3.5
417.09598	1.7
418.06775	2.1
419.11295	3.5
421.09189	34.8
423.10770	3.2
431.11472	2.9
433.09204	24.1
433.14798	1.1
439.10306	49.6
440.10300	2.0
440.53275	1.5
445.09604	4.0
447.10675	2.8
451.04651	1.1
451.10269	30.5
457.11407	46.0
463.10535	2.4
469.11362	38.0
475.11765	6.4
487.12415	98.0
488.13187	1.7
493.10989	6.6
505.13345	20.7
511.12393	30.9
517.11169	3.8
523.12231	4.4
529.13403	24.1
535.12244	9.1
541.13489	22.9
553.13477	30.8
559.14600	10.3
571.14514	32.4
589.15552	27.7
607.16632	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	624.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41958	0.9
53.03936	1.1
55.01874	5.2
55.05507	2.9
56.05030	1.4
57.03440	1.7
58.99589	6.7
63.33919	0.9
67.05494	3.8
69.07096	1.3
69.70267	4.7
72.04521	3.6
74.00648	1.5
76.02233	33.9
79.05492	5.8
80.05042	1.2
81.03423	39.3
81.07068	3.8
83.04979	2.1
83.06103	1.4
83.08607	6.5
84.04510	13.3
86.99046	1.2
88.02235	2.4
90.05561	23.3
91.05505	6.4
93.07050	2.3
95.04970	10.3
95.08587	1.2
97.02877	1.2
100.02232	1.2
104.01712	4.6
105.07059	4.1
107.04919	2.1
107.08598	0.9
109.06540	1.0
111.08069	4.1
115.05497	0.9
116.01682	11.9
119.08599	4.5
121.10175	2.3
126.05531	3.3
127.05025	5.1
129.07007	2.6
130.03290	2.2
130.04997	7.6
131.08592	3.2
133.10161	1.1
137.09712	0.9
141.04863	1.2
142.03244	7.2
146.02806	1.1
147.11713	2.5
149.09622	2.2
157.10138	4.3
158.02728	50.1
168.06635	0.9
170.02794	1.7
175.05414	7.1
175.11215	5.2
176.03783	20.8
187.05402	2.1
191.04869	7.0
193.06439	100.0
193.12245	21.9
211.13277	2.6
215.04878	4.0
231.04245	0.9
233.05945	13.5
241.06522	1.3
259.07529	1.7
267.15939	12.3
277.83212	0.8
285.16965	5.4
304.09564	2.9
320.09256	1.3
322.10690	57.9
323.10977	1.1
383.99628	1.1
396.87256	1.0
397.11279	0.9
459.21481	1.2
460.19122	1.0
588.25586	1.4
606.26721	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75394	0.9
51.02393	1.5
53.03948	5.3
55.01875	7.9
55.05512	38.5
57.03429	5.6
57.07082	2.4
61.28605	1.1
65.03947	3.5
67.05506	54.3
69.03434	4.8
69.07069	22.6
69.08446	0.9
71.04993	3.7
71.15419	1.0
71.55666	1.3
79.05495	46.7
81.03420	28.0
81.07058	48.4
83.04992	6.1
83.08621	17.0
85.02918	1.7
85.06561	2.4
91.05482	41.1
93.07047	35.9
95.01356	1.7
95.04981	11.7
95.08610	29.2
97.02896	1.3
97.06528	5.0
97.10166	19.3
103.05491	3.4
105.04553	1.3
105.07035	30.6
107.04964	7.6
107.08593	28.4
109.06553	4.7
109.10164	16.5
111.04439	1.6
111.08127	3.5
115.05453	7.8
116.06236	1.4
117.07017	21.0
117.76019	1.0
119.08578	24.5
121.06547	3.6
121.10138	9.2
121.10760	0.9
123.08104	3.9
123.11692	2.5
125.09628	17.2
128.06198	7.0
129.05542	1.3
129.07013	20.7
129.07904	1.4
130.07797	1.9
131.04977	2.0
131.08582	23.2
133.06526	4.5
133.10118	15.4
135.08098	3.1
135.11673	6.5
137.06032	1.3
137.09637	1.8
139.49335	1.0
141.07011	11.9
142.07829	4.0
143.08571	16.6
144.09409	1.4
145.06544	3.2
145.10121	19.4
147.04474	3.3
147.08122	3.7
147.11696	7.5
149.09674	3.7
149.13298	2.5
151.11288	1.5
153.07008	2.2
154.07826	2.0
155.08553	16.0
156.09370	1.4
156.63844	1.0
157.06584	2.6
157.10132	17.0
157.11295	1.3
159.08099	2.7
159.11678	13.3
160.05208	2.5
161.06012	7.1
161.09634	2.5
161.13185	5.0
163.11206	2.7
163.14978	1.4
165.07062	3.2
167.08559	7.6
168.09363	1.6
168.30647	1.1
169.10139	15.4
170.11031	2.1
171.08119	2.3
171.11668	11.9
173.06029	4.1
173.09720	3.0
173.11844	2.0
173.13228	7.6
175.11226	2.1
175.14848	1.6
177.12694	2.0
179.08618	3.2
180.09331	2.3
181.10115	8.8
183.08145	1.7
183.11694	14.9
185.09648	2.8
185.13232	7.4
187.07631	2.0
187.11209	2.4
187.14870	3.1
189.11227	7.5
191.08684	1.7
193.10143	5.1
193.12268	1.1
194.10904	1.5
195.11696	12.1
196.12514	2.2
197.13272	11.1
199.11295	2.9
199.14917	5.8
201.12791	1.5
201.16360	1.4
205.10254	1.9
207.11703	5.4
209.13300	8.1
211.11340	1.5
211.14853	5.6
213.12941	2.0
213.16451	4.5
215.14456	1.4
215.17982	1.3
217.10217	1.4
219.11795	2.0
220.12448	1.5
221.13368	3.0
223.11438	1.2
223.13132	1.9
223.14937	4.6
225.12712	1.7
225.16446	3.5
227.12721	10.3
227.18086	1.7
229.19516	1.8
233.13277	2.1
235.14957	3.8
237.16467	4.5
239.17970	5.2
241.19728	2.5
249.16507	2.3
251.18088	2.6
253.16025	2.0
253.19768	2.2
257.19174	4.0
259.20563	6.5
271.13425	4.2
271.17078	1.9
273.15048	2.8
273.18613	3.1
275.20178	4.8
281.19278	1.5
281.22760	1.2
289.14343	1.7
291.19525	12.5
291.22375	1.0
297.18695	1.2
297.22229	1.7
311.20343	1.5
313.21851	1.1
315.23474	1.9
323.20090	1.3
323.23779	1.4
327.23346	1.8
333.24567	1.8
335.26065	3.9
341.24585	1.4
345.17044	1.6
349.24341	1.7
353.24857	1.2
363.27136	3.0
377.28448	1.5
379.26251	1.6
379.30154	8.9
381.28174	1.9
416.41391	1.1
437.30850	1.6
449.30637	1.2
513.37274	2.4
525.35773	7.1
528.99878	1.3
531.38611	7.9
545.22156	2.8
549.39453	5.9
554.35815	2.6
567.40790	1.6
587.40985	1.4
595.43103	1.7
605.24261	4.3
605.42163	19.4
623.25781	3.6
623.43274	100.0
624.43481	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.0
55.01859	4.2
55.05516	22.6
57.03436	7.9
61.02934	25.7
65.03931	3.8
67.05511	40.0
68.08766	1.6
69.03427	7.2
69.07076	12.9
71.04996	4.1
71.05685	4.7
73.02921	9.0
79.02327	1.8
79.05499	29.9
81.03434	8.5
81.07067	39.7
83.04984	3.2
83.08629	12.6
85.02914	18.3
85.06537	4.2
90.39848	2.1
91.03967	9.2
91.05491	46.7
93.07058	29.8
95.04956	7.4
95.08614	21.5
97.02899	15.6
97.06531	5.9
99.04513	2.3
103.05471	2.3
105.07048	35.3
107.04967	6.4
107.08617	13.6
109.06532	4.5
109.10162	10.1
111.08071	3.1
115.05466	5.9
116.06257	2.1
117.07030	25.3
119.04948	3.2
119.08581	18.8
121.06496	7.9
121.10170	8.8
123.08081	3.5
125.09550	3.6
127.03879	2.5
128.06235	9.1
129.05499	2.1
129.07021	29.2
131.04950	2.3
131.08569	40.7
133.06490	5.9
133.10143	12.0
135.08046	4.9
135.11694	4.2
137.09529	2.0
141.07016	15.9
142.07753	4.0
143.08566	25.5
145.05019	2.8
145.06479	10.3
145.10136	17.7
147.08076	5.7
147.11705	5.1
149.09673	6.2
149.13217	3.1
151.11206	1.9
153.06969	3.0
154.07768	2.9
155.08574	23.1
157.06560	4.2
157.10170	15.1
159.08076	5.0
159.11703	13.1
163.11206	3.6
167.08565	10.4
169.10190	17.3
171.11703	13.1
173.09604	2.6
173.13284	4.8
175.11147	4.8
177.12790	2.6
179.08537	6.0
181.10110	12.2
182.10942	2.8
183.11700	11.4
185.09686	2.8
185.13306	5.7
187.11273	2.8
187.14810	2.3
191.14412	1.9
193.10114	4.5
195.11737	10.6
197.09639	2.6
197.13310	6.6
199.11147	2.3
199.14758	3.1
203.14337	2.7
207.11688	3.2
209.13301	7.9
211.11139	2.6
211.14912	4.4
213.12808	4.2
213.16385	3.7
215.14304	6.2
217.15973	2.1
219.11673	2.1
219.13701	2.3
221.13303	6.7
221.15254	2.0
223.14876	5.9
225.12776	3.0
225.16409	2.2
227.14340	2.2
229.16069	2.8
235.14871	5.8
239.14297	6.1
241.15988	2.6
249.16519	3.1
253.15950	4.6
257.15424	4.5
266.99878	2.0
271.16937	5.2
285.18497	1.9
303.19653	2.1
323.23535	9.5
333.22162	14.6
341.24826	10.5
351.23233	43.7
369.24295	39.6
369.29001	2.1
387.25406	17.8
389.25159	2.5
415.28168	4.0
425.26971	8.4
443.27972	100.0
444.28210	2.7
461.29068	66.3
510.27063	2.2
623.33301	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	623.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09562	0.5
55.05507	1.5
57.03439	0.4
57.07066	0.5
67.05518	2.3
69.07078	1.5
79.05497	2.4
81.07063	3.6
83.04996	0.6
83.08623	0.9
85.07766	0.5
91.05475	2.6
93.07050	2.9
95.05001	0.7
95.08601	2.4
97.06535	0.5
97.10157	0.8
98.21540	0.9
105.07056	2.0
107.04975	0.5
107.08585	1.6
109.06527	0.5
109.10155	1.4
117.06999	1.2
119.08624	2.4
121.10183	1.1
128.06062	0.4
129.06970	0.7
133.10143	1.6
135.08136	0.6
137.09666	0.4
138.88268	0.4
143.08615	0.7
145.93428	0.4
147.11732	0.6
157.10158	0.7
159.11778	0.7
167.26688	0.4
169.10188	0.5
171.11743	0.6
173.13274	0.6
221.10777	0.5
223.12595	0.5
264.82114	0.5
289.18085	1.7
307.18900	0.5
335.21793	0.7
354.78259	0.4
386.15573	0.5
387.16367	0.5
388.17300	0.7
389.17761	0.8
391.19501	1.4
392.19897	0.5
401.17819	0.8
402.18466	1.2
403.19312	1.5
404.20282	1.0
405.21103	2.1
406.21780	0.5
407.22595	0.8
415.19839	1.0
416.20383	0.8
417.16470	1.0
417.20877	1.9
418.17520	0.9
419.17630	0.8
419.22836	3.7
420.23425	0.8
429.16653	0.8
429.21588	0.7
430.17526	1.1
431.18637	2.3
431.22998	1.3
432.19266	1.3
432.24033	0.7
433.20300	6.4
434.21133	0.6
435.22147	0.5
443.18878	1.6
444.19675	1.8
445.19928	4.0
446.21527	2.4
447.21771	5.2
448.22665	0.7
449.23544	0.8
457.19992	0.6
458.20944	6.4
459.21863	4.9
460.22794	3.6
461.19330	0.8
462.20428	0.6
463.21573	1.6
471.21921	0.6
472.22699	0.6
473.23047	1.4
475.21448	0.8
476.22021	1.1
477.22888	2.2
485.23123	0.6
487.24927	0.5
505.26157	0.9
517.22546	1.0
518.23120	4.3
521.22198	1.8
530.22729	0.5
531.24091	0.8
532.25018	0.8
533.25513	6.2
534.25201	0.6
535.27490	1.1
541.21808	0.7
545.25482	3.0
546.26245	1.7
563.26642	6.8
573.25006	0.6
577.27130	0.9
605.27710	10.3
605.42114	0.9
623.28699	100.0
623.44055	14.2
624.28650	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	623.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72766	0.4
57.08511	0.4
76.94922	0.4
92.11037	0.6
102.46585	0.4
110.26431	0.4
151.38857	0.5
158.09663	0.5
183.09290	0.5
197.91612	0.5
207.09286	0.5
209.10677	0.7
209.94537	0.5
211.12091	0.5
221.10777	0.7
223.12309	1.0
224.13065	0.7
225.13882	1.0
226.14522	0.6
229.61380	0.5
237.13966	1.4
239.15358	0.9
247.12134	0.5
249.13873	0.5
251.11732	0.8
253.64526	0.5
277.09750	0.6
324.14972	0.6
328.14587	0.5
338.12967	0.5
342.12152	0.6
376.17017	0.6
377.17639	1.2
388.17596	0.5
389.17874	0.8
390.18243	0.5
391.19363	1.5
392.19803	0.8
403.15076	0.8
403.19608	0.8
404.15790	0.9
404.20459	0.6
405.16379	0.5
405.21072	0.9
406.21423	0.8
415.19000	0.9
417.16949	1.4
417.21591	0.8
418.17404	2.2
419.18607	2.0
420.19229	0.8
421.24203	1.0
429.21390	0.6
430.18030	0.6
431.18921	0.7
432.19684	0.6
433.16620	1.9
433.24911	0.6
434.16580	0.6
434.21051	1.6
435.21790	1.8
436.22440	0.6
446.17337	1.9
447.17328	5.6
448.18896	4.0
449.18808	1.1
449.23544	1.5
459.21707	0.8
460.17804	0.7
460.23331	0.9
461.19284	4.9
462.20032	5.2
463.21164	6.5
473.24222	0.6
475.21582	4.6
476.21646	11.0
477.22867	9.5
478.23337	3.7
487.25293	1.0
489.22784	1.4
490.23431	0.9
491.24539	1.1
493.22342	0.6
503.25305	0.6
504.21490	1.8
505.22345	0.8
507.23474	0.6
508.24304	0.7
515.23340	0.5
518.23419	0.7
519.20422	0.6
520.22351	0.6
521.21741	1.3
534.22858	1.1
535.23810	4.2
536.23633	5.3
537.25104	0.5
545.25665	1.3
546.26166	0.6
547.27325	2.6
548.24030	2.3
549.24976	4.2
550.25598	3.2
563.26465	12.4
564.27026	7.2
579.29901	1.0
580.26654	0.9
591.26093	9.7
593.23352	0.6
594.24463	4.0
595.29297	4.0
605.27686	4.0
606.28369	1.0
607.97992	0.5
608.26196	2.7
623.28510	100.0
624.29132	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38008	0.4
53.03963	0.5
55.05514	1.7
56.14742	0.4
57.03439	1.1
64.03267	0.4
65.03920	0.6
67.05514	4.5
69.07072	1.4
71.25662	0.5
71.26015	0.7
73.65505	0.4
76.94621	0.4
78.47301	0.4
79.05497	3.6
80.82322	0.4
81.07066	4.0
83.04991	1.4
83.08656	0.6
86.40787	0.4
91.05479	4.3
93.07049	3.5
95.04977	1.1
95.08617	3.6
97.06520	0.6
97.10143	0.5
105.07059	2.8
107.04990	1.6
107.08620	2.1
109.06521	0.5
109.10170	1.3
112.68990	0.5
114.85372	0.4
117.07051	1.4
119.08595	2.3
121.06590	0.5
121.10205	0.9
125.17235	0.4
126.72556	0.4
128.06212	0.6
129.07072	1.4
131.08592	2.1
133.10179	1.6
135.08075	0.9
135.11728	0.8
143.08597	1.1
145.06509	0.7
145.10162	1.8
147.11703	1.0
151.11209	0.7
155.08598	0.9
157.10182	1.2
159.08066	0.9
159.11729	1.0
169.10193	0.5
171.11732	0.9
173.13162	0.4
175.27574	0.4
183.11745	0.9
185.13293	1.0
187.14850	0.4
195.11771	0.5
215.14508	0.6
233.15492	0.8
253.14464	0.5
261.18329	0.6
267.27820	0.4
271.16986	0.7
271.20663	0.6
289.18048	1.8
389.18536	0.5
390.18185	0.5
391.19235	0.8
399.16537	0.5
402.19257	0.6
403.19507	0.8
404.20584	0.9
405.21179	0.5
406.21478	0.5
413.17871	1.2
414.18384	1.0
415.19275	1.7
416.20169	1.2
417.21201	1.0
418.21942	0.6
419.18610	1.3
423.50598	0.4
427.19614	0.5
428.20099	1.5
429.20886	6.9
430.21631	1.5
431.18036	0.7
431.23126	0.8
432.18903	0.5
433.23975	1.3
434.21008	0.8
443.22531	3.9
444.23795	2.6
445.24014	1.6
447.21823	1.5
449.23532	0.9
455.18973	0.6
456.19458	1.0
457.19351	1.0
457.24203	1.7
457.33151	0.5
458.24857	3.1
459.21637	4.0
460.22794	2.4
461.19290	1.7
461.23804	2.1
462.20224	1.9
463.21390	0.9
470.21240	0.8
471.21982	0.8
472.22687	3.8
473.23611	3.4
475.20908	1.1
476.21893	2.4
477.22955	4.0
485.23520	5.8
486.24246	1.8
487.25101	3.8
488.22067	0.6
489.22845	1.6
503.24686	2.5
504.24872	0.5
505.22522	0.6
516.22144	0.7
517.26422	4.9
519.23865	1.3
520.24933	0.9
521.21973	1.1
531.24133	5.5
535.26300	0.8
545.25549	51.1
546.26044	2.2
563.26355	13.3
564.26764	0.7
577.28412	0.6
605.27686	4.9
605.42242	1.3
622.61084	0.5
623.28656	100.0
623.43689	11.2
624.29028	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	623.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	0.3
57.03447	0.6
61.02911	0.2
67.05508	0.4
69.03438	1.9
69.07107	0.3
69.49449	2.2
79.05500	0.4
81.03475	0.4
81.07043	0.5
85.02914	1.6
85.06555	0.3
87.04498	1.1
91.05479	0.5
93.07068	0.5
95.04949	0.3
95.08635	0.4
97.02925	1.3
98.20708	0.5
98.97578	0.3
105.07054	0.4
109.10162	0.4
115.03933	1.5
115.78810	0.3
116.28639	0.2
121.10133	0.4
127.03893	0.3
133.04985	1.2
145.02904	0.5
145.04915	0.3
145.10075	0.3
146.03687	1.3
147.04422	0.4
147.11722	0.3
152.17195	0.3
154.76057	0.3
156.49881	0.3
163.03986	0.4
168.00598	1.2
171.32758	0.3
186.01613	0.5
200.04747	0.7
228.04245	0.9
256.03687	2.5
270.05164	0.6
271.06128	1.0
283.05865	0.5
284.03238	3.6
285.07547	1.8
286.04654	1.0
297.03644	0.4
299.05560	2.0
301.71701	0.3
313.03403	3.8
314.04221	42.6
315.04715	0.8
329.06567	100.0
330.06952	1.6
341.90732	0.3
491.11703	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24401	0.6
67.33454	0.7
71.22264	1.3
81.07053	0.5
97.10059	0.6
102.01698	0.6
153.37361	0.6
159.83949	0.5
223.12314	0.6
247.12248	0.9
276.45798	0.7
310.68481	0.6
372.14761	0.7
376.16989	0.8
377.17770	1.1
379.92227	0.6
386.15305	1.0
388.18115	0.7
389.18304	1.0
390.18546	2.2
391.19260	4.2
392.20026	2.8
393.20758	2.2
399.15964	1.0
400.16748	1.5
401.17816	1.7
402.18933	1.0
403.20135	1.0
404.20523	1.8
405.20947	4.6
406.21365	4.4
407.17621	1.1
407.22440	12.5
412.17697	0.7
413.17697	2.8
414.18338	3.2
415.19186	5.4
416.19913	1.1
417.21152	1.0
418.21628	0.8
419.17987	1.2
419.22855	1.2
420.22931	1.8
421.24063	11.5
422.24756	2.9
427.19354	2.3
428.20267	3.0
429.20883	11.7
430.21902	2.0
431.18408	1.6
432.19366	0.9
433.20193	2.3
433.24756	1.2
441.21429	1.0
442.21545	1.8
443.22531	8.4
444.23688	3.6
445.20386	2.4
446.21030	0.8
447.17752	1.1
449.23050	0.9
456.18982	0.8
457.24747	4.3
458.25131	5.4
459.21832	7.5
460.22333	2.1
461.18994	4.7
462.20486	2.1
463.21457	1.3
470.21277	1.7
471.21759	2.1
472.22778	7.3
473.18707	0.9
473.23526	2.1
474.20956	0.8
475.21063	5.7
476.21713	4.5
477.22470	3.1
478.23492	1.3
484.19232	0.8
485.23480	13.3
486.19327	1.2
486.24554	2.3
487.20908	1.6
488.21957	1.8
489.23096	2.7
490.23456	0.9
499.21240	5.3
500.22064	2.6
502.23584	1.2
503.24493	8.0
507.24161	0.7
513.23059	4.4
514.23730	1.8
515.24731	1.2
517.26605	6.6
529.26007	1.0
531.24213	1.2
535.27155	4.6
545.25537	86.4
546.25629	2.6
563.26178	0.9
564.27167	2.0
573.16003	1.1
573.25006	20.7
591.26147	1.5
605.27661	100.0
606.27881	2.5
623.28729	99.7
624.29089	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	623.1612
Annotation	6,7-Dihydroxy-3'-methoxy-4',5'-methylenedioxyisoflavone 6-O-(6''-xylosylglucoside)
Peak:m/z	Relative Intensity
56.96581	0.3
57.03420	0.6
67.05501	0.3
69.03443	1.3
71.55153	0.2
71.55521	0.2
73.02895	0.2
81.07037	0.4
81.13017	0.2
85.02919	1.7
87.04462	1.1
93.07059	0.2
95.08604	0.4
97.02922	0.9
105.07039	0.2
107.08606	0.2
115.03930	0.9
119.08597	0.3
123.00810	0.3
123.04429	0.7
127.03933	0.4
131.66771	0.2
133.04974	0.6
147.04405	0.3
151.03954	0.8
153.01845	0.3
161.02357	0.5
161.05966	0.2
162.03137	17.3
163.03914	0.5
179.03339	0.5
189.01852	0.9
200.04697	0.8
228.04173	4.7
230.02164	0.3
239.03398	0.7
240.04221	2.2
241.04942	0.4
243.06563	0.6
256.03708	4.6
271.06030	6.8
273.07520	0.3
284.03180	3.2
296.03278	0.3
297.03989	2.8
299.05530	6.5
301.07047	0.2
313.03537	1.0
313.06625	0.2
314.04230	18.1
315.04620	0.4
329.06567	100.0
330.07028	1.1
341.06586	0.3
355.21420	0.2
371.07495	0.4
434.51749	0.2
491.11841	8.4
500.05380	0.2
537.35675	0.2
563.30725	0.6
623.20935	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87104	2.3
53.03954	13.8
55.01869	11.6
55.05518	31.6
57.03446	13.3
59.05004	2.7
61.02921	2.6
62.03130	2.5
65.03929	5.0
67.03563	2.4
67.05186	3.7
67.05513	47.8
69.03420	21.3
69.07059	11.2
69.37165	16.4
69.37569	5.7
71.01344	2.7
71.04981	7.6
79.05501	43.3
81.03421	100.0
81.07063	53.5
83.04987	18.9
83.08627	24.9
85.02900	19.6
88.65109	2.2
91.05482	50.6
91.88251	2.6
93.07058	30.7
93.09425	2.5
95.01318	3.7
95.04971	41.1
95.08602	17.9
97.02391	2.1
97.02921	18.9
97.06522	8.9
97.10160	15.3
99.04443	6.9
103.03951	3.2
103.05440	5.1
105.07031	31.5
107.04962	19.6
107.08596	25.3
109.02903	19.2
109.06533	8.9
109.10155	11.4
111.04439	11.2
111.08078	7.0
115.05461	6.3
117.07027	14.8
119.04926	6.7
119.08583	24.9
121.02882	3.3
121.06498	11.3
121.10137	12.4
123.04417	8.3
123.08036	4.9
123.11684	6.2
125.09629	10.6
127.03902	13.5
128.06265	3.4
129.05513	2.9
129.07002	17.3
131.04921	8.7
131.08557	17.1
133.06522	12.3
133.10156	14.2
135.04395	3.0
135.08051	7.4
135.11688	9.3
137.05963	5.3
137.09601	4.0
141.07001	5.5
143.08557	5.6
145.02846	6.2
145.06496	13.5
145.10100	13.4
147.04399	9.1
147.08069	10.5
147.11702	17.1
149.05997	6.4
149.09619	7.9
153.12807	4.7
155.08546	7.2
157.06494	6.6
157.10129	10.4
159.11679	5.7
161.06006	10.5
161.09645	5.4
163.11172	18.4
165.12790	6.2
169.10175	2.9
171.08081	3.4
173.04424	10.5
173.06003	7.1
173.09596	4.1
173.13229	3.4
175.11183	11.5
177.05460	13.5
181.12196	4.0
185.05945	2.8
185.09601	3.8
185.13196	4.3
187.11125	3.3
189.05504	5.7
189.09074	2.7
189.11230	3.5
191.10684	3.3
193.12253	28.7
197.13252	2.8
205.12245	4.3
211.13271	22.1
213.12759	3.2
215.14113	2.9
223.76958	2.4
227.12784	7.7
235.11177	2.7
235.13318	4.0
249.14857	2.7
259.13354	3.1
267.08838	2.8
267.15845	12.3
273.14810	16.3
276.29279	3.1
277.14148	3.9
283.13025	3.8
285.10117	4.2
285.16998	9.1
289.14334	5.4
301.14273	18.2
319.15372	9.1
337.16302	5.2
339.23260	3.0
357.24161	4.1
367.22742	9.9
373.91687	2.5
375.18005	7.1
385.23651	5.3
391.55087	2.3
393.19046	5.9
403.24774	7.5
441.26633	3.8
459.27612	22.3
477.28522	7.5
517.27979	2.9
519.29626	3.2
567.29126	7.9
573.30133	3.3
585.30585	17.1
603.31787	18.2
621.23029	4.8
621.32642	72.2
629.04169	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	621.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.9
55.01874	7.2
55.05266	1.5
55.05516	20.6
56.96565	1.1
57.03438	7.7
57.07090	1.4
59.04998	1.1
65.03950	2.0
66.03000	1.0
66.49015	1.0
67.05509	35.7
69.03421	17.8
69.07074	8.5
71.04993	6.5
71.69065	1.1
75.84699	0.9
77.03936	1.6
79.05495	35.1
79.45380	1.0
81.03423	100.0
81.07060	36.5
82.49480	0.9
83.01299	1.0
83.04989	15.5
83.08626	19.1
85.02915	17.6
85.06552	2.6
88.48516	1.0
91.05485	40.7
93.07047	23.1
95.04973	34.4
95.08611	12.1
97.02896	17.3
97.06539	4.8
97.10172	9.2
99.04461	5.0
103.05460	2.0
105.07040	31.1
107.04964	11.7
107.08598	13.9
109.02882	22.2
109.06528	5.6
109.10176	4.9
111.04463	8.6
111.08112	6.9
113.06006	2.3
115.05488	3.4
117.07027	9.8
119.04938	3.0
119.08587	20.6
121.02918	2.0
121.06515	6.3
121.10148	9.4
123.04421	6.0
123.08100	4.1
123.11755	2.9
125.02361	3.3
125.06018	1.3
125.09646	6.3
127.03063	1.5
127.03923	10.4
128.06253	2.8
129.07002	13.8
131.04964	4.7
131.08591	14.7
133.06508	5.6
133.10129	9.7
135.04474	2.0
135.08098	4.6
135.11711	4.1
137.05998	3.3
137.09647	3.0
137.13274	1.3
141.07027	1.7
142.07826	2.2
143.08603	5.2
145.06516	5.6
145.10118	6.7
147.04413	5.2
147.07054	1.1
147.08043	5.3
147.11687	16.8
149.05995	2.2
149.09607	7.1
151.11137	1.6
153.09196	1.3
153.12785	1.3
155.08615	3.4
157.06563	3.3
157.10133	13.3
159.08101	3.4
159.11757	2.5
161.06035	3.5
161.09653	3.1
163.03923	2.3
163.11208	7.7
165.12813	4.9
167.07173	1.3
167.08607	2.2
169.10292	1.5
171.08090	2.4
171.11707	2.2
173.04518	7.3
173.06003	2.7
173.09682	3.1
173.13391	1.0
175.07550	2.0
175.11189	10.5
181.12346	2.1
184.02193	1.0
185.09645	1.2
185.13301	1.3
187.07567	1.5
187.11229	1.9
189.05653	1.2
189.12810	1.5
191.08859	1.0
191.10712	3.6
193.10464	2.3
193.12254	32.6
197.13321	2.0
199.11356	1.3
205.12294	2.0
209.09605	1.1
209.11731	1.9
211.11380	1.3
211.13293	37.0
211.15253	2.0
213.12807	1.8
215.14247	1.4
227.12831	4.9
229.14311	1.1
231.13863	2.6
233.15399	1.5
235.13435	3.2
237.12852	1.6
245.15456	1.1
249.15010	3.4
255.13881	2.0
259.13458	3.4
267.15903	9.5
271.13168	1.4
273.14877	7.1
283.13126	1.8
283.15814	1.4
285.17123	5.4
289.14261	1.3
291.16031	1.5
301.14307	11.7
301.17010	1.3
303.15921	2.2
309.17258	2.0
319.15448	4.2
337.16498	3.2
355.17838	1.7
357.17261	1.1
367.22626	3.3
375.18188	4.1
385.23779	4.7
393.19296	4.4
403.24844	2.4
411.20270	1.2
459.27545	10.8
477.28760	8.1
493.26498	1.4
495.29343	5.6
529.27899	1.6
539.30060	1.6
557.30817	1.5
567.29285	2.3
571.64673	1.2
585.30750	7.3
603.31665	9.1
621.32782	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64370	0.4
63.66687	0.4
69.60840	2.8
84.72167	0.4
94.60336	0.5
95.04935	0.4
98.21482	0.9
209.10870	0.7
223.12282	0.5
324.14502	0.5
332.25119	0.5
373.14502	0.5
375.16165	1.0
376.17319	0.6
379.33942	0.4
387.16406	1.1
388.16870	2.0
389.17645	5.4
390.18253	1.9
400.17319	0.6
401.17749	1.2
402.19058	2.3
403.19473	7.8
404.20264	3.9
405.20688	2.2
415.14883	0.7
415.19388	1.2
416.15445	2.5
416.20844	0.7
417.16867	4.2
417.20895	4.5
418.17157	0.9
418.21661	1.5
419.22433	9.8
420.22940	0.6
429.16531	1.0
430.17435	2.3
430.22748	0.8
431.18192	9.0
432.19012	2.8
433.20264	1.5
441.17221	0.5
443.18646	1.5
444.19424	1.2
445.20148	8.2
446.21014	6.7
447.21848	14.8
458.20880	0.6
459.17230	1.3
459.21875	2.7
460.18137	0.8
461.19778	1.3
463.20920	0.7
473.19775	1.8
474.20453	13.5
475.21344	17.3
476.22018	0.8
487.21237	4.8
488.22015	1.6
491.20941	1.0
498.36932	0.5
501.22855	2.6
502.23221	0.5
504.21695	0.5
505.26968	2.0
518.23291	0.8
519.19611	0.5
529.22546	0.9
531.36639	0.8
533.25507	14.7
546.22693	0.9
561.24994	85.6
562.25262	2.7
589.24530	2.4
593.27637	4.3
621.27118	100.0
622.27155	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	621.2713
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.64144	0.3
69.51255	0.3
69.59827	1.9
89.35508	0.3
91.05489	0.4
95.05034	0.4
95.08587	0.4
105.07022	0.6
106.06493	0.3
112.44369	0.3
188.06847	0.3
209.10550	0.3
221.10806	0.5
221.75859	0.3
235.12373	0.4
237.53119	0.3
374.15253	0.5
375.16272	0.8
376.17520	0.6
387.16223	0.9
388.16986	1.2
389.17548	3.2
390.18457	1.3
391.19394	1.1
401.17877	1.1
402.18915	1.7
403.14911	0.4
403.19534	4.6
404.20285	2.0
405.20850	2.2
414.15182	0.4
415.15118	0.5
415.19815	0.6
416.15683	0.7
416.20551	0.7
417.17105	4.0
417.21155	2.4
418.17764	1.0
418.22314	0.7
419.22403	7.7
420.23068	0.6
428.10696	0.4
430.17841	1.1
430.22424	0.6
431.18170	6.6
431.23669	0.7
432.19113	3.2
433.20154	2.8
443.18637	0.5
444.19742	0.5
445.20154	6.7
445.85788	0.3
446.21021	6.7
447.21811	9.7
448.22455	0.8
457.20868	0.4
458.21350	0.6
459.22833	2.5
460.18298	0.7
460.23529	0.5
461.19745	1.4
463.21173	0.3
473.23419	1.8
474.20511	6.5
475.21323	7.8
475.27640	0.6
487.21478	3.0
488.22287	0.4
491.20242	1.4
492.25150	0.5
501.23099	1.6
502.23590	0.4
504.21213	0.4
505.21848	0.5
505.25955	1.1
518.23419	0.5
519.20691	0.7
529.22211	0.7
533.25586	13.8
534.25586	0.4
561.25018	21.6
562.25391	1.1
565.27869	0.4
589.24286	1.2
593.27582	3.4
597.83246	0.4
621.27124	100.0
622.27234	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	621.2709
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
56.27965	0.4
67.22546	0.4
70.99030	0.4
71.03906	0.6
71.04252	0.9
72.52218	0.4
84.05710	0.3
96.85850	0.5
108.38669	0.4
209.92731	0.4
274.48340	0.5
310.13400	0.5
375.16162	0.8
382.15570	0.5
387.16052	0.6
388.17139	1.2
389.17789	2.8
390.18442	1.3
391.19370	0.7
401.17722	1.5
402.18567	1.1
403.14542	0.5
403.19708	3.6
404.20117	2.9
405.20786	2.5
415.15128	0.6
415.19980	0.6
416.16159	1.2
416.20532	1.2
417.16147	3.3
417.21069	2.5
418.17538	1.1
419.17615	0.6
419.22449	7.3
420.23090	0.8
429.21292	0.5
430.18008	1.7
431.18234	6.6
432.19131	2.9
433.20377	2.6
444.19595	0.8
445.20105	7.2
446.21045	7.2
447.21896	8.6
448.22501	0.9
457.20511	0.6
459.21823	2.5
460.18100	0.5
460.23312	0.7
461.19711	1.3
463.21246	0.6
473.19781	1.6
473.24451	0.5
474.20508	5.3
475.21243	7.5
487.21365	3.2
488.22293	0.8
491.20029	2.1
492.25107	0.6
501.23044	1.7
505.25946	1.3
518.22961	0.5
519.20483	0.7
533.25580	14.7
546.22870	0.5
561.24963	21.3
562.25519	1.0
589.24396	1.3
593.27673	4.9
621.27112	100.0
622.27466	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	619.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26638	4.4
51.14775	3.9
55.05514	29.6
57.03401	4.2
57.07085	22.0
67.05511	49.5
69.03439	25.0
69.07066	31.1
71.00072	8.7
71.04994	9.0
71.08621	12.9
79.05494	39.5
81.07063	64.7
83.04553	4.4
83.04976	24.9
83.08624	19.6
85.06544	5.3
85.10203	4.7
87.04467	17.5
91.05476	14.8
93.07052	51.9
95.08616	52.0
97.06512	5.6
97.10167	11.3
99.53635	4.2
105.07031	10.6
107.08593	22.4
109.06564	6.6
109.10147	29.0
111.04453	48.1
111.11683	8.0
116.73853	4.3
117.07011	7.1
119.08596	6.7
121.06565	9.0
121.10162	63.1
123.11694	14.5
125.06025	5.6
129.05489	100.0
131.08557	9.2
133.10155	8.2
135.08028	4.7
135.11711	40.1
137.13239	7.5
137.52930	4.5
145.10123	9.5
149.13286	9.3
163.11267	5.1
169.10213	4.7
191.17987	33.3
209.19014	34.8
215.18066	5.8
219.21101	36.9
233.19069	6.0
237.22131	46.9
243.21103	6.8
251.20062	15.5
261.22263	7.5
269.21207	35.3
279.23166	30.9
289.18036	8.8
297.24231	54.9
333.26236	6.6
376.44141	4.1
619.44122	61.0
629.15674	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	621.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	51.2
69.41423	1.9
69.41843	3.1
70.98112	0.7
71.95280	1.3
72.57778	0.5
74.97614	8.9
79.05508	0.6
84.96049	7.6
86.97601	3.1
89.03922	2.5
92.98689	0.8
98.21356	1.4
98.97593	100.0
102.97053	0.7
107.04950	1.0
110.97545	4.2
112.42973	0.6
114.97051	4.3
116.98632	43.5
117.03400	2.7
123.04472	0.8
124.99109	4.1
127.03905	1.0
128.98633	7.2
132.98091	9.9
134.99666	11.9
135.04411	6.9
139.03912	1.8
140.00160	0.8
140.98593	1.2
143.00175	13.1
144.98137	1.2
145.02852	4.9
146.99664	3.2
150.99161	13.7
151.00420	1.2
153.00749	1.2
156.98152	1.7
158.99670	31.2
161.01248	13.4
162.99126	0.6
163.03922	28.6
169.00224	5.3
174.99185	7.8
175.00630	1.5
176.99168	1.3
177.00725	25.4
179.02248	1.3
185.01225	5.5
186.99153	2.2
187.00668	0.8
188.97093	0.9
189.00780	1.0
190.98634	1.1
191.00192	1.1
193.00230	9.2
193.01805	3.5
195.01852	1.9
197.01202	1.2
200.02299	1.0
200.98680	1.8
203.02287	2.3
205.00153	1.6
205.01772	2.2
206.98140	4.9
206.99850	1.3
209.01234	3.3
211.01147	0.7
211.02890	4.3
216.01387	0.7
218.99664	13.4
219.01755	1.7
220.99483	3.9
221.01518	1.4
223.02788	1.3
224.99127	1.4
229.00290	0.9
229.03929	2.1
230.98146	1.4
233.01352	1.0
234.02071	1.2
237.00726	50.9
239.00679	4.3
245.04541	0.7
248.99059	9.5
251.02222	3.7
253.00354	0.8
255.01781	47.3
260.02332	0.9
261.00803	2.3
266.97272	1.1
267.00214	32.5
269.03394	5.0
273.02856	34.9
277.03729	0.9
278.03412	1.0
279.01791	5.3
285.01321	15.3
290.01962	1.1
291.00064	6.5
293.03281	1.5
296.04437	0.6
297.02841	7.9
303.00278	0.9
305.03397	1.8
309.01260	10.0
313.02417	1.3
315.03986	0.7
319.01385	0.9
321.02921	0.9
323.04367	1.9
335.03061	1.5
355.03461	0.7
365.01544	1.6
367.03485	0.9
377.00189	0.8
383.02777	2.7
393.01239	7.7
395.01425	7.7
401.04193	0.8
404.99710	2.5
411.02380	24.4
413.02628	0.9
423.00845	82.8
429.03448	23.0
434.03799	1.0
441.01877	38.7
447.04572	2.2
453.03595	2.2
459.03195	1.2
464.03348	1.7
471.04358	1.4
557.04193	0.7
567.02643	0.7
585.03992	26.8
603.05011	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	619.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.5
57.03437	1.0
57.07071	0.8
67.05505	3.5
69.07066	2.3
70.43997	0.3
71.08606	0.5
74.09724	0.8
74.12728	0.3
79.05497	1.6
81.07061	3.7
83.08625	1.3
86.56997	0.4
87.04458	2.2
91.05479	1.1
93.07042	1.2
95.08611	3.0
97.10182	0.6
98.21467	0.8
105.07035	0.9
107.08625	0.8
109.10144	1.6
111.83469	0.4
119.08567	1.0
121.10175	0.9
123.11704	0.4
133.10133	0.8
135.08104	0.4
147.11713	0.5
164.39185	0.3
191.92383	0.4
233.11655	0.5
283.12012	0.8
283.15164	15.7
289.17731	0.4
318.52167	0.4
337.27527	1.0
339.17773	3.7
355.85727	0.4
509.30789	0.4
619.41815	100.0
620.42090	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	619.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.6
55.01868	2.8
56.96555	1.8
57.03438	2.5
61.02931	2.0
68.99776	1.5
69.03432	11.6
71.04990	1.1
71.56342	2.7
73.02918	3.2
78.04710	2.3
79.05493	10.4
81.03424	10.2
81.07040	1.4
85.02904	18.0
87.00830	7.0
89.80709	1.2
91.05501	6.8
93.07082	1.6
95.04968	2.2
97.02888	9.0
99.04484	3.0
103.05490	2.5
104.06220	2.3
105.01862	2.9
105.07053	10.4
106.04185	2.6
107.04964	23.0
109.02898	8.4
115.03934	1.3
115.05471	5.9
117.07008	2.5
118.04212	1.9
119.04972	1.6
119.08561	3.6
121.06517	1.9
122.03591	1.4
123.04424	4.6
124.05215	5.1
127.03932	14.1
128.06235	3.7
129.07054	6.0
130.37537	1.2
131.04956	5.0
132.05717	3.9
133.06497	8.8
133.10121	1.8
137.06026	2.1
141.06999	3.0
145.04977	3.2
145.06464	2.2
147.02878	1.4
147.04390	2.9
147.08055	5.2
151.03935	1.8
152.04681	3.4
159.02914	4.1
159.08101	2.7
160.05203	4.1
161.06038	10.4
161.09663	3.5
167.07054	100.0
169.06461	3.3
171.08112	1.8
175.07558	57.6
177.05486	1.6
184.05162	2.6
186.06801	1.4
187.07570	10.0
189.07126	1.4
189.09114	1.9
191.07043	14.3
191.08585	1.7
193.08614	26.9
199.07533	18.1
201.09100	4.3
202.07776	2.8
203.08578	3.4
207.08232	1.9
215.08624	5.2
218.07310	6.3
219.08034	2.8
221.09706	2.8
229.08629	1.6
231.05058	2.0
231.07993	3.2
232.08812	3.9
233.09653	8.3
235.07565	3.8
243.08037	1.9
246.06825	3.7
247.07619	2.8
249.09132	3.8
251.07149	1.4
257.06006	2.6
258.06750	1.5
259.07617	3.1
260.08328	6.4
261.09064	10.6
263.06952	4.1
274.06384	2.2
275.07089	2.7
276.07785	1.8
277.08722	4.4
278.09296	3.1
281.11850	3.7
288.07718	2.4
289.08582	11.8
290.09216	3.0
291.06735	1.6
291.10294	2.4
292.26419	1.3
293.11819	5.0
295.09555	2.0
305.08221	2.3
306.08823	4.3
307.09579	4.3
309.11203	3.1
321.11234	20.3
322.11929	3.6
323.09048	3.0
325.14352	2.2
326.11505	1.4
338.11505	3.6
341.13947	13.1
353.13885	43.6
355.15570	4.4
379.57211	1.4
619.27759	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.0
54.22119	3.0
55.01873	4.0
55.05512	44.9
57.07082	7.5
60.08154	7.3
63.07649	3.1
65.03928	4.1
67.05511	30.1
69.03434	12.2
69.07066	13.5
70.06590	3.3
70.59746	8.1
70.60077	6.4
71.04972	7.9
72.09714	3.4
79.05502	40.7
81.07056	50.3
83.04976	20.4
83.08624	63.1
85.06540	8.1
86.09710	9.3
87.04433	3.8
91.05480	60.6
93.07056	61.8
95.04985	34.2
95.08614	35.2
97.06554	25.5
103.05498	4.1
104.10748	90.0
105.07034	100.0
107.04966	6.5
107.08598	68.1
109.06528	15.8
109.10146	26.0
111.08087	7.5
113.09658	12.2
115.05474	9.4
117.07016	30.3
119.07797	6.3
119.08593	83.8
120.09380	4.9
121.06509	11.1
121.10158	52.6
121.10946	6.0
123.08096	18.6
123.11732	5.3
125.09615	22.7
128.06219	14.9
129.07021	23.1
130.07767	6.6
131.08566	49.1
133.06549	6.5
133.09138	4.2
133.10136	55.9
134.10965	3.9
135.08104	18.5
135.11726	9.6
137.09602	4.5
139.11209	13.2
141.06989	14.3
142.07803	28.5
143.08559	58.5
144.09355	17.8
145.06516	8.2
145.10130	78.8
146.10735	4.4
147.08047	11.4
147.11656	21.1
149.09622	15.5
149.13228	4.6
151.11188	4.9
153.07030	5.7
153.26740	3.5
154.07774	4.4
154.94191	3.7
155.08592	18.9
155.10674	14.8
156.09344	23.1
157.10130	63.1
158.10884	10.3
159.08084	16.2
159.11682	34.5
160.08856	14.9
161.09708	17.1
161.10808	3.5
161.13260	3.9
163.11191	12.4
165.07028	8.9
166.07780	3.5
167.08582	11.8
167.10698	14.0
168.09320	8.1
169.10141	30.8
170.10930	12.2
171.10236	6.7
171.11652	37.5
172.12321	3.5
173.09616	6.6
173.13239	16.4
175.11209	11.7
175.14848	4.8
179.08553	14.1
179.14311	6.8
180.09293	4.2
180.95689	5.7
181.10158	23.6
181.12216	23.1
182.10922	13.2
183.11743	24.3
183.13309	3.2
183.13721	3.2
184.12512	5.7
185.13254	28.2
187.11241	10.2
187.14830	8.5
189.12769	6.9
191.14281	6.0
193.10104	15.0
194.10983	8.5
195.11713	36.1
196.12485	11.4
197.09525	4.6
197.13245	34.9
198.96812	10.2
199.11147	6.1
199.14844	14.0
203.14320	8.1
206.10902	6.3
207.11752	19.1
207.13800	7.5
208.12558	8.6
208.14799	3.7
209.13272	26.6
210.13968	4.0
211.14825	20.7
213.12732	5.6
213.16388	10.7
215.14253	18.2
216.97905	6.1
217.15961	3.9
218.16628	6.4
219.11752	6.8
220.12549	6.8
221.13211	12.9
221.15417	29.5
222.14066	4.8
223.14856	15.2
225.12785	6.4
225.14615	5.4
225.16518	8.0
227.14380	5.1
227.17986	3.9
231.11737	4.0
231.17570	5.8
232.12381	8.3
233.13284	8.9
233.15387	45.3
234.16068	5.5
235.14912	8.8
236.15378	4.4
237.16385	11.7
239.17973	7.1
246.16168	5.2
247.14705	7.7
247.16956	8.5
249.16414	9.4
251.17993	5.0
253.15788	5.2
253.19357	3.9
255.17465	34.7
257.19034	6.6
259.14822	5.6
261.16409	7.6
263.17957	7.8
265.19623	8.4
268.18335	5.1
269.18976	5.4
270.19730	10.8
271.20709	4.9
275.17899	11.0
281.19104	11.0
285.18643	5.4
286.19238	7.5
289.19498	5.4
293.18997	4.0
299.20065	8.1
309.21979	4.0
312.21048	5.4
319.15836	4.0
319.19516	14.0
337.20517	12.4
337.25082	6.0
351.23477	3.5
365.24713	11.4
367.26318	7.8
383.25699	16.2
414.28836	4.3
429.31287	4.6
499.21378	4.2
558.28516	15.1
563.19629	4.2
618.35791	16.8
619.38208	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	618.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40206	6.5
55.01859	10.0
55.05511	39.6
57.07070	16.8
57.26415	5.7
59.27009	6.1
67.05494	29.1
69.03415	10.2
69.07059	15.6
71.04998	8.5
79.05484	29.2
81.07060	38.1
83.04964	15.2
83.08629	41.5
85.06546	12.4
87.04467	8.5
88.28890	6.3
91.05476	58.4
93.07037	46.5
95.04996	36.2
95.08620	30.1
97.06509	27.3
105.07037	96.6
107.08598	59.7
109.06515	22.7
109.10178	12.9
109.46160	5.6
111.08073	13.1
113.09657	7.3
113.40682	6.1
117.07033	31.0
119.08588	90.9
120.09412	8.6
121.06568	10.5
121.10119	38.4
122.07308	6.2
123.08063	27.5
125.09686	16.6
128.06223	11.6
129.06955	16.9
130.07784	10.5
131.08597	48.8
133.10161	35.8
135.08054	20.4
135.11696	11.2
137.09616	13.1
139.11182	9.1
141.06990	10.4
142.07765	14.4
143.08592	38.9
144.09375	11.9
145.06488	7.8
145.10146	66.3
147.08057	23.6
147.11714	17.1
149.09650	18.4
151.07544	14.2
151.11125	7.7
155.08528	17.2
155.10637	8.9
156.09326	21.7
157.10149	69.0
158.10876	8.8
158.22124	6.2
159.08044	12.1
159.11693	39.3
160.08836	15.8
161.09637	15.1
163.11214	21.4
165.06897	7.7
165.09106	36.3
167.08554	13.5
167.10669	10.9
169.10139	24.2
170.10815	9.1
171.11647	36.0
172.12416	12.6
173.13292	16.9
175.11136	14.9
179.08653	8.6
181.10081	8.1
181.12215	26.1
183.11731	20.8
184.12422	11.4
185.09624	7.9
185.13242	15.8
189.12688	9.1
191.14444	7.7
193.10226	8.7
193.12273	8.5
194.10910	8.9
195.11691	17.4
197.09631	6.5
197.13261	24.5
198.13960	7.0
199.11244	8.5
199.14824	8.9
201.62779	5.5
203.14307	14.5
207.11829	8.2
208.12563	8.1
208.14626	17.1
209.13222	28.1
211.11226	6.9
211.14857	8.5
213.69208	6.5
215.14345	7.9
221.13307	14.0
221.15300	79.6
223.14784	17.1
225.14851	25.9
227.14302	9.6
233.15427	21.7
234.16098	22.6
235.14836	10.1
237.12712	8.5
247.16942	12.4
249.16449	7.0
255.17377	15.8
273.18399	6.9
281.46848	6.8
286.19281	6.6
287.20163	61.5
299.20151	15.1
325.21677	13.9
336.23987	6.6
337.21420	9.7
352.24014	86.4
365.24765	22.9
525.35944	12.1
526.36151	17.9
538.36652	100.0
618.43256	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10145	0.6
55.05510	2.8
55.27129	0.8
57.03426	0.9
57.07083	0.9
64.86823	0.6
67.05511	7.5
69.07056	2.8
69.94963	3.3
79.05497	4.1
81.07068	6.2
83.08646	1.4
87.04467	1.1
91.05498	2.6
93.07047	5.8
95.04993	1.0
95.08615	4.8
97.06542	0.8
105.07065	1.9
107.08615	3.1
109.10136	2.1
111.87612	0.6
117.06998	0.7
119.08598	1.9
121.06532	0.6
121.10179	2.0
123.08106	1.0
131.08600	1.7
133.10156	1.4
135.11714	1.4
145.10120	1.1
147.07983	0.7
147.11679	1.3
149.09587	0.9
151.07430	0.7
157.10153	0.9
165.09077	0.8
171.11726	0.8
181.12160	0.8
221.15472	1.7
233.11517	0.8
283.15158	18.2
283.18085	1.2
299.20026	0.6
335.25946	1.3
336.88852	0.6
339.17728	1.8
549.62750	0.6
601.32642	0.9
617.40259	100.0
618.40704	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.1
57.03434	0.6
60.94674	0.4
67.05507	3.4
69.07061	0.8
71.04970	0.5
79.05499	2.3
81.03426	0.4
81.07053	3.6
83.08643	0.4
91.05490	1.1
93.07053	2.4
95.04939	0.4
95.08617	2.2
97.58117	0.3
98.20806	1.0
105.07044	1.4
107.08596	1.6
109.10192	1.0
118.03501	0.3
119.08589	1.1
121.10143	1.5
123.11748	0.4
131.08588	0.6
133.10156	0.4
135.11711	0.4
152.07945	0.3
157.84543	0.3
159.11693	0.4
181.97664	0.3
190.15280	0.3
233.11578	0.5
279.15460	0.4
283.15186	13.3
335.25995	0.6
339.17804	6.0
475.28842	0.3
498.05383	0.3
617.40277	100.0
618.40564	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	617.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	9.5
55.05519	25.2
57.07069	15.3
65.03931	6.4
67.05503	38.6
69.03445	13.0
69.07066	26.4
69.59576	35.5
79.05505	36.2
81.06730	4.5
81.07066	51.1
83.04974	23.6
83.08612	16.8
85.06554	7.6
87.04449	5.3
91.05482	51.6
93.07061	70.6
95.04978	28.3
95.08605	41.5
97.06536	18.7
98.20821	10.3
103.05453	5.9
105.07040	100.0
107.08595	70.8
109.06554	24.0
109.10172	36.2
116.06230	6.1
117.07005	22.6
118.12236	4.8
119.08594	67.4
121.06519	13.1
121.10154	80.3
122.07294	5.1
123.08060	17.3
123.11694	11.8
125.06013	18.2
125.09638	16.1
128.06183	10.7
129.07027	26.6
130.07820	14.4
131.08553	47.9
133.06468	8.6
133.10141	43.3
135.08070	17.3
135.11687	9.4
137.09641	19.6
139.11195	7.1
141.07014	7.6
142.07773	27.2
143.08530	41.0
144.09331	14.8
145.10153	64.6
147.08040	13.6
147.11684	19.6
149.09616	19.0
153.07007	7.4
155.08554	22.0
155.10657	9.1
156.09370	13.5
157.10162	59.4
158.10909	8.5
158.85364	5.1
159.08040	22.0
159.11708	36.7
161.09595	15.6
163.11169	33.4
165.07028	8.0
165.09132	7.8
166.07841	7.5
167.08614	9.9
167.10675	92.0
168.09402	7.0
169.10130	25.6
170.06558	5.4
171.08011	7.5
171.11696	26.8
173.09688	14.6
173.13228	15.9
175.11206	7.9
175.14894	9.1
179.08540	7.2
181.10089	16.2
181.12210	28.2
182.10808	6.6
183.08113	7.1
183.11687	24.3
185.09698	7.7
185.13266	17.1
187.11142	9.4
187.14769	7.1
189.12692	7.1
191.14258	12.2
193.10155	9.6
194.10909	7.1
195.11641	19.3
196.12524	7.5
197.09676	7.8
197.13292	23.6
199.14842	8.1
203.14397	10.2
205.10187	6.6
207.11757	12.8
207.13748	9.5
208.12480	10.0
209.13280	16.8
211.14865	9.7
215.14348	7.0
221.13292	14.7
221.15407	32.2
223.14757	13.8
227.14357	7.8
233.13303	6.3
233.15321	24.5
235.14729	7.0
255.44345	6.1
261.16354	6.7
285.18497	5.7
299.20123	9.4
408.73709	5.2
579.46619	5.6
599.40741	6.2
617.42975	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	615.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	23.5
57.07069	15.0
67.05501	75.5
69.07079	49.3
70.89973	23.3
79.05503	22.5
79.98792	9.2
80.44707	7.1
81.07062	62.0
83.08626	40.6
89.06038	23.8
91.05496	11.4
93.07053	29.2
95.08605	100.0
97.10178	30.9
105.07020	25.5
107.08619	18.7
109.10155	43.8
114.00327	9.2
119.08601	21.0
123.11743	24.0
133.10155	14.2
135.11699	10.4
137.13263	14.2
211.20618	11.8
221.22676	10.0
239.23677	82.6
295.11371	12.0
327.53793	8.5
339.28876	13.6
496.47824	9.4
615.49365	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	615.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63132	0.5
69.03425	1.0
70.06581	1.1
71.44873	1.2
76.76276	0.5
81.62917	0.6
83.83043	0.6
85.02877	1.0
86.09710	0.7
91.05466	0.8
97.02869	0.9
101.41783	0.6
105.07028	1.6
119.01929	1.8
129.03943	0.6
131.01872	0.6
131.08594	0.6
136.86575	0.6
137.05977	0.9
145.10042	0.8
157.10191	0.6
167.07031	1.1
175.11951	0.6
176.10814	0.6
185.04276	0.8
203.05289	8.2
229.12103	0.8
234.77158	0.7
247.13025	2.7
267.05151	0.7
267.10791	1.4
273.10999	1.1
291.12076	32.4
309.11917	1.7
312.10855	0.7
315.86417	0.6
333.11835	1.0
353.03467	0.7
409.18362	3.6
453.17300	100.0
454.17587	1.7
505.95627	0.7
615.22656	57.2
616.23157	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	0.9
53.03954	2.7
55.01860	1.5
55.05516	22.2
57.03449	4.3
57.07082	6.3
65.03937	2.9
67.05511	52.7
69.07070	22.3
70.88300	2.8
71.04991	1.9
71.08639	3.0
71.87940	0.9
79.05496	29.8
81.07063	58.1
83.04973	1.7
83.08630	13.8
85.06538	2.7
85.10175	1.6
89.06091	1.1
91.05483	22.1
91.06022	1.8
93.07052	37.1
95.04977	3.1
95.08614	46.8
97.06541	4.1
97.10178	8.0
99.08086	2.8
105.07038	22.7
107.08604	26.2
107.09308	2.0
109.10159	24.0
111.08094	1.9
111.11710	1.2
113.09659	1.2
115.05516	1.4
117.06989	5.6
119.08588	23.6
121.10151	19.1
123.08058	1.4
123.11721	9.8
129.07016	2.0
131.08575	12.5
131.44009	1.0
133.08656	1.1
133.10138	18.1
135.11705	14.4
137.09692	1.5
137.13322	3.5
139.11192	1.2
143.08572	4.4
145.10139	12.1
147.11697	13.9
149.13278	9.9
151.14818	2.1
157.10114	2.5
159.11703	9.6
161.13258	8.3
163.14870	4.2
169.10130	1.7
171.11723	3.0
173.13257	8.3
175.14862	6.3
177.16423	2.3
183.11676	1.2
185.13313	3.3
187.14830	4.5
189.16438	3.4
191.17928	1.9
199.14882	2.3
201.16441	2.7
205.19627	1.3
213.16483	1.5
215.18056	1.1
217.19563	1.5
229.19510	1.6
231.21092	1.5
233.22699	1.0
241.19629	1.6
243.21114	3.4
245.22707	1.9
257.22867	1.3
259.20563	5.1
261.22156	12.8
273.22229	1.0
275.23828	1.3
287.23666	2.0
317.24841	2.0
333.24350	3.3
335.25861	9.7
337.27405	11.4
339.29160	4.0
352.51877	1.1
354.66791	0.9
384.52930	1.1
411.32663	1.0
523.45306	6.2
531.40387	1.9
541.46228	4.0
597.48700	14.0
615.49860	100.0
616.49988	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.0
61.18160	0.9
62.04072	0.8
70.06571	0.9
71.55699	1.2
77.03944	1.4
81.03425	1.1
85.02918	3.4
86.09709	1.2
95.04963	0.8
97.02896	0.9
105.03397	1.6
109.02876	1.4
119.04983	1.3
120.38229	0.7
121.02847	1.5
123.04443	100.0
129.10321	1.0
135.04463	1.0
139.03928	1.6
142.27527	0.8
147.04430	4.7
151.03922	1.7
161.06087	1.4
163.03932	3.3
165.05501	19.9
165.06868	1.0
171.04390	1.0
175.03899	4.2
177.05467	2.3
181.04932	2.1
185.05908	1.1
187.03925	3.0
189.05457	2.8
191.03447	1.5
193.05000	3.7
201.05437	2.0
205.05006	7.6
213.05440	1.4
215.07014	0.9
217.04968	6.8
219.02925	1.1
219.06451	1.9
221.04466	1.1
223.05917	1.3
229.04950	2.2
231.06505	1.7
235.06012	4.3
241.05052	1.2
243.06561	1.4
247.06012	5.4
253.04781	1.0
259.05991	7.0
271.06015	5.0
277.07123	2.1
279.06647	1.1
283.05920	2.1
285.07407	1.0
289.07083	1.6
295.05856	1.3
297.07721	1.8
301.07132	3.3
309.08167	0.9
313.07034	2.3
319.08273	1.3
321.07343	1.2
323.09320	1.3
325.07034	2.5
327.08640	1.6
333.09674	1.0
339.08444	1.8
343.08130	2.0
345.09787	2.5
351.08530	0.8
357.09686	3.7
363.08713	1.3
369.09668	3.4
381.09781	3.9
393.09525	1.2
399.10892	6.0
405.09625	2.0
411.10843	8.2
423.10806	6.2
427.03619	2.1
429.11804	2.2
435.10907	4.0
441.11835	1.2
447.12906	9.9
459.13022	1.3
465.11951	5.0
477.12006	4.3
483.12796	3.5
489.11386	0.9
495.12646	2.9
501.13718	2.5
507.12900	2.4
513.13837	5.2
525.14081	1.8
598.10309	0.8
615.11206	1.8
615.21106	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38994	3.3
53.03948	5.6
55.01880	4.5
55.05514	34.3
57.03440	16.1
57.07073	12.4
58.08854	3.0
59.01691	3.1
61.09751	3.1
61.90739	3.2
65.03934	5.7
66.57924	3.3
67.05510	59.8
69.07072	26.3
71.04988	4.4
71.08629	4.1
71.54638	3.7
71.55070	6.2
76.46863	4.0
79.05497	33.1
81.03419	71.8
81.07060	71.4
83.04997	8.4
83.08622	29.0
85.06521	3.6
89.06028	30.7
91.05489	41.4
93.07037	29.9
95.04983	31.1
95.08613	54.0
96.08955	4.7
97.06532	9.5
97.10166	9.3
105.07047	35.9
107.04988	6.2
107.08593	23.2
109.06544	8.6
109.10165	26.6
111.08062	6.1
117.07034	7.8
119.08588	32.2
121.06488	5.6
121.10130	17.7
123.08098	5.0
123.11717	9.7
125.05976	5.5
125.09605	4.5
128.06227	3.9
129.07051	16.9
131.08575	18.4
133.08618	33.3
133.10138	16.7
135.08069	6.1
135.11667	8.0
137.09584	3.7
142.07793	4.4
143.08580	15.4
145.10155	19.7
147.08078	4.3
147.11708	8.8
149.09630	5.3
155.08559	6.5
157.10080	19.1
158.10803	5.5
159.11781	7.3
161.13274	6.3
163.11212	7.0
169.10207	6.6
171.11644	3.9
173.09659	5.9
175.11230	7.1
177.11227	7.5
181.12363	4.5
183.11742	6.6
191.14299	5.1
193.10385	4.5
193.12263	25.2
199.11154	4.7
207.11810	6.6
209.13280	5.7
211.14819	3.7
221.13451	6.2
251.29784	4.2
263.14398	3.8
263.23697	5.0
267.15903	100.0
273.18625	7.8
303.26431	3.4
331.18906	8.4
337.27335	79.3
337.31140	6.9
339.65576	3.4
348.32794	4.1
352.24088	15.2
361.66000	3.6
384.22937	10.5
415.25357	9.2
455.35202	8.1
476.29111	7.5
529.38800	54.8
547.39948	21.6
614.39575	22.7
614.48602	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	614.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
54.79283	0.4
55.01865	1.5
55.05514	2.7
56.05038	0.8
57.14263	0.4
58.99573	0.6
65.03946	0.5
67.05508	6.8
67.14284	0.4
69.07072	2.9
69.82694	2.0
71.04994	0.6
74.00677	2.2
76.02225	1.3
79.05506	5.7
80.05000	1.4
81.03403	0.9
81.07066	15.0
83.04994	0.8
83.06096	1.6
83.08606	1.1
84.04509	3.9
85.01131	1.1
85.02924	0.5
85.06535	0.4
86.00674	0.8
88.02219	0.6
90.05590	1.0
91.05479	4.5
93.05786	0.4
93.07048	5.1
94.06547	0.7
95.04984	1.4
95.08614	7.9
96.08179	0.4
97.01115	1.2
97.06544	0.5
99.01430	4.2
99.02688	0.5
99.05592	0.4
100.02203	6.8
104.01726	0.8
105.07028	4.6
106.06522	1.0
107.04933	1.2
107.08602	3.6
108.08128	0.7
109.06513	3.0
109.10146	2.0
111.02702	1.0
111.08086	0.9
112.02203	8.1
113.02972	1.7
113.04215	0.8
114.03778	6.0
116.01662	1.1
117.07039	1.8
119.08584	3.8
120.08090	0.9
121.06508	0.8
121.10181	2.3
121.10950	0.5
123.02676	0.8
123.08070	0.9
123.11751	0.9
125.04250	0.8
125.09707	0.4
126.03751	2.7
126.05515	0.9
129.06697	1.2
130.05006	1.5
131.08569	2.7
132.08078	0.5
133.10132	2.6
134.09653	0.8
135.08061	0.7
135.11670	1.1
137.04233	0.8
137.09647	0.7
138.03751	2.2
139.02185	0.6
139.03220	0.7
139.05823	0.6
140.01646	0.5
140.05301	7.8
141.86171	0.4
143.08632	0.6
145.10147	1.9
147.11671	2.2
149.09583	1.0
149.13286	1.2
152.05321	2.0
153.06651	0.6
154.06847	1.9
155.08369	0.5
158.02731	2.3
159.11690	0.8
160.34477	0.4
161.13304	0.5
163.11189	0.9
163.14810	0.5
165.12666	0.5
166.06914	0.9
168.08429	15.6
171.11690	0.4
173.13300	1.9
175.11209	0.7
176.03859	0.6
180.08386	0.5
181.06049	0.9
183.12086	0.4
185.03850	1.4
187.05380	0.5
189.12688	0.6
191.14366	0.5
193.06494	1.4
207.13933	0.7
209.15323	2.2
216.05640	1.3
222.14958	0.7
223.11032	0.5
224.11154	0.7
230.07253	1.6
230.15372	0.5
231.04379	2.6
233.05975	0.7
236.14717	1.4
236.16710	0.7
242.12140	1.4
255.08008	0.9
257.19022	0.5
264.14243	7.1
269.09439	2.2
273.04440	0.4
275.20120	4.4
277.21609	0.5
281.14542	1.3
282.15240	38.2
283.11118	1.1
284.11929	4.7
285.12717	0.7
292.22662	0.7
307.17249	0.4
307.33185	0.4
322.10776	0.6
327.14435	0.4
332.20633	0.6
333.18930	1.7
337.17590	0.5
350.21515	7.5
351.19791	1.7
360.19843	0.5
368.22577	7.9
378.20889	0.9
398.18713	13.3
399.19534	1.7
467.25812	100.0
468.25925	1.2
479.26266	0.5
507.25024	0.5
525.26190	3.6
551.27277	0.8
596.30188	1.5
597.28088	0.4
614.30688	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01866	4.9
55.05519	2.6
56.05037	0.6
56.49048	0.4
57.22023	0.5
57.98812	0.7
58.99295	0.7
58.99588	8.6
67.05212	0.5
67.05512	5.4
69.03399	0.7
69.07078	3.1
70.59998	1.4
71.05005	0.6
72.04520	2.9
76.02232	28.4
79.05511	4.4
81.03427	0.6
81.07060	7.7
82.60300	0.5
83.04993	1.4
83.06097	1.6
83.08626	1.0
84.04509	6.6
85.94901	0.5
86.99058	1.8
88.02209	1.5
90.05563	21.8
91.05493	4.5
93.07053	5.1
95.04960	1.8
95.08622	4.0
97.06540	0.9
97.10188	0.7
100.02203	0.9
104.01704	7.1
105.07030	5.6
107.04948	1.6
107.08586	3.3
109.06503	3.4
109.10153	2.7
110.59313	0.5
111.08085	1.0
116.01689	13.5
117.07003	1.0
119.08591	3.3
121.06510	3.0
121.10145	2.3
123.08061	1.7
129.06650	1.5
130.03235	1.7
130.05011	4.0
131.08591	4.3
133.06523	0.7
133.10165	3.7
135.08047	1.2
135.11696	1.4
142.03250	3.8
143.08572	1.0
145.06505	0.9
145.10127	2.8
146.02737	0.7
147.07980	0.8
147.11684	2.6
149.09561	1.3
151.11179	1.0
157.10170	0.8
158.02727	48.2
159.07841	0.9
159.11717	1.9
161.09634	1.4
161.13324	1.0
163.11186	1.5
170.02647	1.8
172.81691	0.6
173.09583	0.6
173.11842	0.6
173.13324	1.5
175.05380	7.9
176.03775	22.0
177.12566	0.5
183.11658	1.5
187.05373	2.0
187.11194	0.8
191.14310	0.8
193.06439	100.0
201.12741	1.0
207.13786	1.5
215.04831	2.3
215.18282	0.6
219.13902	0.8
233.05917	7.6
241.06372	1.0
257.19028	1.5
259.07465	2.4
273.18558	1.5
275.20090	16.9
291.19586	1.7
293.21155	10.5
304.09402	0.7
305.07913	1.0
322.10690	16.5
333.18878	0.7
368.22607	5.1
400.89871	0.5
467.25803	8.0
485.26883	2.8
525.26190	2.1
596.29688	1.0
614.30988	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.05310	1.4
55.05517	16.2
56.25787	1.6
57.07080	18.5
60.83387	1.4
63.51717	1.3
65.03963	2.2
67.05511	42.9
69.03416	5.0
69.06731	1.9
69.07072	26.5
69.19291	11.0
69.19704	2.3
71.04993	1.9
71.08630	6.3
79.05492	17.9
81.07063	60.6
83.04992	2.7
83.08154	2.0
83.08626	30.4
85.06545	2.2
85.10179	4.2
91.05483	7.2
93.07054	22.1
95.08617	80.3
97.06538	2.3
97.10181	20.8
99.08088	1.8
100.00784	1.2
105.07037	6.3
107.08609	14.3
109.10162	36.3
111.04433	7.7
111.08118	1.3
111.11739	8.9
117.07053	1.4
119.08598	9.2
121.10151	26.9
123.11716	22.0
125.13264	5.8
129.05493	8.8
131.08562	4.8
133.10127	4.8
135.08049	2.9
135.11702	17.4
137.13269	13.0
139.07564	1.6
139.14822	2.4
144.66371	1.3
145.10136	2.1
147.11700	2.5
149.09627	2.8
149.13242	5.7
151.14803	5.3
159.11789	2.7
161.13280	3.1
163.14838	2.2
165.16405	2.7
167.03378	1.7
167.10660	2.3
173.13254	2.3
175.14833	1.6
179.03348	2.3
179.17955	1.5
181.12311	1.5
191.18042	1.5
193.19453	1.9
197.18983	2.4
211.20695	2.9
217.19498	2.3
219.21089	28.4
221.22655	12.7
222.91821	1.2
233.22585	2.2
237.22127	24.9
239.23729	100.0
243.21086	6.2
245.22745	3.0
261.22247	7.1
261.24634	1.2
261.37421	1.2
263.23676	4.9
279.23224	9.8
281.24762	3.6
297.24261	35.1
299.25824	11.4
325.27383	1.9
328.86279	1.3
613.48425	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	613.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
55.01863	2.7
55.05520	25.8
57.07076	16.3
60.96043	2.5
62.66288	2.6
67.05511	77.5
69.03420	4.1
69.06731	3.3
69.07070	37.2
69.83128	6.9
69.83540	7.5
71.04993	4.8
71.08629	9.5
79.05500	49.3
81.06593	5.6
81.07065	100.0
83.04991	5.9
83.08623	38.1
85.06513	4.7
85.10185	4.2
85.34836	2.8
91.05474	26.3
93.07051	66.1
95.04974	6.0
95.08614	91.7
97.06538	6.3
97.10191	23.1
99.08091	4.2
105.07030	20.3
105.20660	2.5
107.08609	44.2
109.06544	4.3
109.10164	43.4
111.08119	2.6
111.11731	12.5
113.05990	7.1
117.06995	9.8
119.08590	25.8
121.06538	3.8
121.10159	53.5
123.11723	24.1
125.06017	2.9
125.13300	5.0
129.05502	3.6
131.08565	16.5
133.10155	18.2
135.08060	5.0
135.11713	32.7
137.13245	14.3
139.07518	3.8
139.14879	2.9
143.08525	4.7
145.10139	16.0
147.11697	10.9
149.09605	6.2
149.13301	13.3
151.14825	9.6
153.09117	3.2
157.10062	3.3
159.11725	13.2
161.13269	11.7
163.11226	2.8
163.14787	7.4
166.78003	2.5
173.13240	6.4
175.14882	4.0
177.16377	6.0
179.14197	3.1
185.13277	4.6
187.14867	3.3
193.19524	6.6
196.93637	2.6
211.20508	6.5
217.19659	3.3
219.21085	48.3
221.22589	7.6
227.23422	2.6
237.22144	34.3
239.23703	52.2
241.19473	3.3
243.21246	13.3
243.23322	3.1
247.24210	6.0
259.20511	3.7
261.22153	20.4
263.23694	4.7
279.23242	28.2
281.24948	3.9
297.24295	8.6
335.25800	9.3
337.27429	5.3
432.57260	2.8
577.48053	3.0
595.46973	8.3
613.48486	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	613.4831
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03946	4.1
55.01878	1.9
55.05518	24.0
57.03443	6.7
57.07069	4.9
57.41036	1.1
57.56608	0.9
58.02308	1.0
65.03931	3.6
67.05514	59.6
69.07078	19.6
71.04994	3.0
77.03850	1.2
79.05500	37.0
81.07066	65.8
83.05001	1.3
83.08627	11.7
85.06547	2.1
91.05492	23.3
93.07056	41.7
95.04985	2.9
95.08616	52.7
97.06525	3.0
97.10172	4.9
98.20734	2.9
99.08110	1.7
101.50611	1.0
105.04505	1.7
105.07042	29.2
107.08600	25.9
109.06546	2.0
109.10165	24.4
111.08112	1.9
111.11716	1.7
117.07017	14.8
117.07771	1.7
117.48937	1.1
119.08593	28.9
121.10144	21.3
123.08089	1.3
123.11722	10.5
125.09656	1.3
129.07076	5.8
131.08578	22.1
133.10146	20.8
133.11087	1.7
135.11707	16.9
137.13271	3.3
141.07014	1.5
143.07661	1.2
143.08562	6.5
145.10153	24.1
147.11710	18.5
149.13295	9.7
155.08589	2.7
157.10135	7.7
159.11702	17.0
161.13277	12.0
163.14851	4.4
165.16479	1.4
169.10135	2.2
171.11743	5.8
173.13295	12.0
175.14841	4.9
177.16403	2.3
183.11732	2.1
185.13307	5.4
187.14825	5.9
189.16412	3.3
197.13287	1.8
199.14836	3.5
201.16415	3.0
201.71507	1.2
203.17902	2.2
213.16408	3.2
215.18063	3.0
217.19586	1.3
219.21243	1.1
223.14705	1.2
227.18085	1.4
229.19630	1.6
231.21120	1.8
239.23616	1.4
241.19614	3.5
243.21170	3.3
245.19002	1.4
245.22754	1.3
259.20605	7.7
261.22250	13.5
263.23712	1.3
285.22220	1.7
287.23785	1.6
299.23697	2.2
301.25455	1.3
315.26855	1.3
317.24908	2.9
333.24103	5.3
335.25870	18.2
337.27493	9.5
341.28302	1.4
343.26364	1.1
355.30099	1.7
361.27524	1.4
375.29211	1.5
396.71567	1.2
489.35681	1.7
503.37112	1.8
517.38727	1.4
521.43567	6.4
529.38892	2.5
531.40607	1.5
538.93610	1.2
539.44733	4.6
543.40485	2.5
595.47223	12.8
613.48297	100.0
614.48578	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	613.4825
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03939	3.2
53.31898	1.8
54.15806	1.8
55.01865	2.9
55.05310	2.1
55.05519	23.7
57.03424	5.3
57.07095	10.3
65.03950	3.7
67.05511	71.1
69.03429	3.8
69.07074	37.4
71.04964	2.6
71.08641	6.2
71.55627	2.0
73.04765	5.4
79.05499	35.6
80.05849	2.0
81.07066	83.1
83.04993	4.2
83.08631	25.7
85.10217	2.5
89.06007	2.5
91.05444	24.1
93.05438	2.6
93.07055	45.5
95.05000	4.8
95.08614	91.4
97.06534	5.5
97.10187	12.4
99.08109	3.4
101.05981	2.3
102.09238	1.9
105.07035	38.3
107.08604	29.5
109.06540	2.8
109.10166	42.5
111.04442	2.1
111.08158	2.9
111.11731	4.0
111.70890	2.1
117.07022	9.1
119.08590	31.2
121.10158	30.3
121.33233	2.0
123.11742	19.0
125.13305	3.7
129.05495	6.4
129.07033	3.8
131.08589	17.9
133.10141	25.7
135.11694	20.6
137.13286	9.8
139.14841	2.1
143.08582	8.7
145.10141	18.9
145.90404	1.7
146.43515	2.0
146.51581	1.9
147.11690	18.1
149.02347	10.0
149.13301	10.6
149.46976	2.2
151.07611	2.9
151.14902	3.3
155.08681	2.2
157.10172	6.9
159.11661	18.4
161.13292	15.5
163.14859	6.0
165.16409	3.5
167.03419	11.5
171.11734	5.8
173.13327	9.0
175.14857	7.4
181.23029	2.0
183.11766	2.7
185.13284	9.0
185.68799	2.0
187.14902	6.9
189.16379	3.9
191.18130	3.1
199.14890	4.7
200.29364	2.0
201.16426	4.7
203.17989	4.0
213.16354	3.2
215.18034	3.6
217.19489	2.5
219.21136	13.0
221.22618	4.5
237.22237	8.0
239.23744	38.1
241.19577	8.8
243.21156	6.2
245.22867	3.6
259.20596	11.3
261.22235	8.0
263.23697	3.2
269.08148	6.7
269.21274	2.7
279.23297	6.5
297.24316	8.7
299.25946	2.5
313.80261	2.0
333.24289	6.3
335.25952	5.1
337.27374	17.2
357.07053	2.6
358.07104	5.5
393.20749	3.5
521.43402	5.2
539.44531	4.5
595.47333	10.5
613.39825	4.1
613.48273	100.0
614.48602	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	613.4827
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
50.99935	2.0
53.03949	2.6
54.32803	2.2
55.05513	31.1
57.03437	6.2
57.07075	23.6
65.03938	3.7
67.05505	79.0
69.03431	7.1
69.07071	35.8
69.51960	14.7
71.04996	4.6
71.08624	17.6
75.72186	1.9
78.37840	1.8
79.05499	40.6
81.07059	89.4
81.91276	1.9
83.04987	8.2
83.08627	23.6
85.06543	4.9
85.10188	5.9
90.93836	2.3
91.05479	28.8
93.07050	56.1
95.04991	4.4
95.08607	92.2
97.06526	10.4
97.10176	15.2
98.20798	4.1
99.08086	2.9
105.07032	27.0
107.08604	27.4
109.10162	41.6
111.04473	9.0
111.08102	3.4
111.11748	3.4
117.07036	11.4
119.08579	26.4
121.10147	38.4
123.08070	2.0
123.11694	19.6
125.09645	2.6
125.96465	2.0
129.05498	14.6
129.07024	6.8
131.08553	19.0
133.10127	20.0
135.11699	24.9
137.13289	8.4
143.08575	4.2
145.10139	20.6
147.11713	15.8
149.13251	15.8
151.11203	2.3
151.14882	4.4
155.08577	3.4
157.10146	7.7
159.11705	13.3
161.13257	11.7
162.96980	1.8
163.14885	7.0
165.16382	3.1
169.10213	2.3
171.11765	8.2
173.13316	11.2
175.14880	4.7
177.16374	3.1
179.14290	4.8
185.13341	4.6
187.14867	8.9
189.16307	3.2
197.13199	3.2
197.19058	5.8
199.14925	2.5
201.16498	2.1
203.18068	2.7
205.19485	2.3
211.14934	2.5
213.16440	2.5
219.21117	13.7
231.21291	2.5
237.22183	20.1
239.23685	24.9
241.19627	2.8
243.21169	4.5
259.20584	9.1
261.22141	12.2
263.23798	3.6
269.21097	3.3
277.21808	4.3
278.44305	2.1
279.23322	8.1
297.24268	65.1
297.27423	3.9
302.96365	2.0
333.24472	4.3
335.25815	11.4
337.27512	5.3
381.00537	2.4
411.32693	2.4
466.12827	2.0
517.39038	2.2
521.43787	4.7
529.38782	2.6
539.44366	4.3
595.46924	14.7
613.48248	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.1
55.96272	0.6
60.28276	0.6
60.38631	0.6
67.05493	2.2
69.07100	0.8
71.55529	0.6
71.55901	0.7
77.09220	0.7
79.05490	1.8
81.07059	2.6
83.04960	0.7
91.05461	1.5
93.07038	2.2
95.08591	3.0
105.07011	2.4
107.08595	2.7
109.10146	0.9
116.11767	0.6
119.08587	2.8
121.10144	1.2
131.01260	0.8
133.10135	1.8
147.11697	1.5
149.02347	5.6
161.13242	0.8
167.03435	7.2
175.14847	0.9
203.14349	0.6
203.17944	1.9
221.15359	1.0
247.12834	0.8
269.08035	3.5
309.20282	2.5
327.21426	13.0
333.20541	1.7
389.22949	1.3
393.20331	0.8
551.42719	0.6
613.43799	100.0
614.43243	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4821
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
52.87055	1.4
53.03944	2.8
55.05515	15.3
56.04775	1.0
57.03430	3.2
57.07070	7.3
58.86456	1.2
62.76181	1.1
63.58514	1.2
67.05509	37.5
67.98720	1.2
68.19585	1.2
69.07069	15.7
71.04977	3.2
71.08633	3.4
71.55586	2.0
74.09721	2.3
79.05494	20.3
81.07064	41.4
81.27050	1.4
83.04994	1.3
83.08621	10.8
89.89303	1.2
91.05462	22.2
93.07050	27.3
95.04980	2.1
95.08607	36.3
97.06534	2.1
97.10192	5.2
99.08076	1.5
105.07033	19.7
107.08608	17.3
109.06481	2.3
109.10168	16.2
111.08118	2.4
111.11761	1.3
117.07043	8.0
119.08586	20.1
121.10155	15.3
123.11701	5.5
125.02113	1.2
128.06209	1.2
129.05495	2.8
129.07014	5.5
130.05835	1.2
131.08574	17.7
133.10130	13.5
135.11700	11.9
137.13213	3.0
143.08580	6.1
145.10135	16.1
147.11638	8.9
149.13261	5.3
151.11195	1.4
153.12779	1.8
155.08578	2.3
157.10172	5.4
159.11691	14.4
161.13263	8.9
163.14804	1.5
169.10118	3.5
171.11734	5.9
173.13255	6.6
175.14883	3.6
177.16418	1.7
179.14513	1.4
183.11687	2.6
185.13275	2.9
187.14926	4.2
189.16408	3.0
191.18019	1.5
197.13283	2.5
199.14873	3.9
201.16467	2.7
209.13380	1.6
213.16460	2.0
217.19537	1.6
219.21138	3.6
227.17989	1.7
231.21095	1.7
233.22786	1.5
237.22141	1.7
243.21135	3.0
259.20718	2.0
261.22131	3.0
263.23801	1.8
271.20566	1.4
277.21661	2.9
279.23175	2.5
297.24356	3.6
333.24179	1.9
335.25955	4.4
337.27676	2.4
515.23224	1.7
521.43256	9.6
539.44757	4.3
543.40155	2.8
595.47180	10.1
613.48291	100.0
614.49432	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.9
67.05508	2.3
69.07047	1.4
71.55234	1.2
79.05491	1.8
80.00327	0.7
81.07061	3.6
85.06516	0.7
91.05450	1.7
93.07044	3.0
95.05002	1.0
95.08613	3.2
105.07034	3.9
107.08625	3.4
109.10167	2.1
111.08095	0.7
115.15298	0.6
119.08597	3.7
121.10155	2.2
125.09626	0.7
131.08565	0.8
133.10156	2.0
135.11870	0.7
145.10168	0.7
147.11713	2.4
149.02356	4.6
161.13310	1.1
167.03430	6.3
175.14862	1.3
196.26932	0.6
203.17976	4.2
209.13216	0.7
212.49744	0.7
222.40755	0.7
269.08105	5.6
286.02917	0.8
309.20261	3.5
327.21417	13.7
333.20255	1.5
389.22861	2.1
393.20563	1.6
437.25455	0.9
482.36115	0.7
613.34729	7.3
613.43866	100.0
614.44055	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3889
Annotation	2-hydroxyastaxanthin
Peak:m/z	Relative Intensity
55.05493	6.5
57.07063	4.8
59.05010	2.2
62.64810	2.2
65.03934	15.7
67.05504	22.0
69.07072	11.9
70.48749	1.9
70.49113	6.0
79.05492	13.6
80.08324	2.3
81.07059	36.1
83.08651	3.8
91.05473	20.3
93.03419	12.5
93.07049	22.3
95.08617	41.8
96.44647	2.1
97.10207	3.9
98.20837	2.8
100.84584	2.0
105.06393	3.4
105.07043	41.2
106.10796	1.9
107.08602	31.5
109.06504	2.0
109.10163	30.7
117.07014	3.0
119.08596	66.1
120.21474	1.9
121.10157	14.8
123.11731	10.8
129.06996	2.1
131.01315	4.7
131.05005	2.4
133.10138	27.6
135.11719	4.1
135.79967	2.1
137.02347	8.3
137.13220	2.0
137.93594	2.2
141.00975	2.4
145.10150	2.5
146.12982	2.0
147.04332	2.2
147.08128	2.4
147.11699	38.0
149.02347	66.3
149.13309	3.0
161.02361	8.5
161.13254	10.9
163.03857	2.3
163.14813	7.9
167.03421	63.1
171.08008	2.9
175.14821	15.7
179.03409	100.0
199.07610	3.1
203.17964	52.4
216.33336	2.1
217.08623	39.7
221.19032	3.6
227.07144	3.3
233.08145	2.9
235.09656	20.9
251.07057	3.9
269.08105	62.5
273.14896	3.8
281.08127	17.4
301.14294	2.2
321.21231	2.1
321.31619	2.2
335.13037	3.2
337.14398	48.5
379.19040	3.4
393.20636	16.3
595.37683	7.1
613.40497	16.9
624.80579	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	613.3892
Annotation	2-hydroxyastaxanthin
Peak:m/z	Relative Intensity
55.05526	2.4
56.59885	1.0
56.96555	1.2
65.03952	12.4
67.05505	6.8
68.62144	0.9
69.07067	3.2
69.30975	2.6
69.31395	6.3
79.05489	3.8
81.07063	8.5
83.04984	1.0
83.08608	1.6
91.05483	4.3
93.03414	10.4
93.07051	5.9
95.08607	7.4
105.07037	6.8
107.08589	4.4
109.10162	4.6
119.08590	4.2
121.10116	3.3
123.11724	1.6
127.10660	1.2
131.05011	1.1
131.08557	2.2
133.10095	5.0
135.11670	1.7
145.10132	1.3
147.04361	1.3
147.11740	3.1
149.02348	3.0
161.02338	6.2
161.10132	1.0
161.13341	1.9
167.03409	4.6
175.14882	1.3
177.05432	1.1
179.03409	100.0
202.15875	1.9
203.17958	8.4
217.08617	26.5
235.09685	23.4
235.11626	0.7
269.08142	3.0
271.13324	1.3
273.14877	4.7
281.08066	16.3
300.13416	1.3
337.14380	41.2
393.15909	1.4
393.20676	20.3
533.84314	1.1
593.44977	1.2
613.39948	8.7
613.48340	2.8
628.30249	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.05497	3.7
57.07072	1.6
67.05503	7.4
69.07078	3.7
71.28960	1.8
79.05503	5.5
81.07066	9.9
82.15430	1.1
83.04951	1.2
83.08623	2.2
91.05489	4.1
91.19005	1.3
93.07050	7.6
95.08621	6.8
97.10198	1.3
105.07040	3.8
105.72767	1.0
107.08601	2.9
109.10168	4.2
119.08580	3.9
120.08891	1.4
121.10120	3.6
122.06961	1.1
123.11723	1.5
129.07028	1.9
131.08551	2.1
133.10114	3.0
135.11751	2.1
145.10178	2.0
147.04506	1.5
147.11708	1.7
149.02321	3.6
159.11705	1.6
161.05977	4.1
167.03400	8.3
168.03780	2.3
190.99547	2.3
201.98747	3.1
217.67262	1.0
217.69189	1.2
253.47050	1.0
257.04181	2.6
269.07959	1.8
295.09439	2.0
299.64255	1.1
323.08893	4.2
324.09613	3.3
335.25623	1.3
349.10150	1.4
367.11505	1.6
391.11386	3.4
393.16760	1.4
410.17255	1.8
413.17508	1.1
429.16733	3.0
435.25110	4.2
441.16946	5.3
443.22079	1.5
457.16245	3.5
461.23016	31.9
473.25919	1.5
475.17114	3.4
479.24097	100.0
480.24222	1.9
497.24869	1.7
520.26355	1.5
524.69159	1.2
526.23279	3.2
577.29486	7.1
595.30298	53.2
612.47028	2.9
613.30780	17.0
613.47101	4.4
617.44287	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.9
55.05513	4.9
55.76114	1.0
57.03411	1.1
59.04996	1.2
62.17377	0.8
65.03934	4.9
67.05510	13.4
69.07084	7.0
69.30864	5.1
69.31298	3.1
75.40041	0.7
79.05513	7.0
81.07065	20.8
83.08620	3.3
91.05470	9.8
93.03366	1.5
93.07043	13.8
95.04989	1.7
95.08613	24.8
97.06566	1.5
97.10188	1.6
105.07037	27.5
107.08605	18.0
109.06501	1.1
109.10172	18.4
119.08592	30.1
121.02847	1.8
121.06497	1.7
121.10154	9.9
123.08015	0.9
123.11715	4.2
131.01294	5.2
131.08583	1.4
133.08614	1.0
133.10132	14.2
135.11703	4.3
145.10126	1.5
147.04433	5.0
147.11685	16.6
149.02354	84.2
149.13239	2.0
161.13281	8.9
163.03912	2.7
163.14812	3.9
166.86208	1.0
167.03415	100.0
167.63072	0.9
175.14844	10.0
177.05388	1.4
189.16495	0.9
203.06903	0.9
203.17984	29.5
217.08533	1.1
221.19064	1.5
259.13431	1.5
269.08105	63.8
273.14844	3.6
283.09756	2.5
289.14261	1.0
337.14230	1.1
337.27209	1.5
351.19717	1.5
391.19006	3.0
393.20627	27.3
471.25021	1.2
531.20074	1.0
549.21503	1.6
595.37567	3.1
613.38916	8.8
613.47510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87481	1.0
56.96295	1.8
56.96569	29.9
57.22390	1.0
66.48151	0.9
67.05510	2.6
69.07085	1.3
70.98822	2.4
71.95266	4.7
81.07043	3.0
84.96030	3.5
91.05479	1.4
98.97591	83.3
99.65231	1.2
105.07043	2.3
109.10149	1.2
110.97575	5.9
112.99137	31.5
115.97789	1.0
116.98631	33.7
116.99460	2.1
119.08599	2.1
124.99165	1.8
127.66589	1.0
128.98607	7.4
131.00179	42.0
133.10112	2.0
134.99681	7.5
140.00217	3.9
140.98676	2.9
143.00175	10.3
144.98048	1.3
146.99655	4.4
147.11641	1.1
149.01230	24.6
149.02373	0.9
149.05920	1.2
153.48749	1.5
154.01849	2.9
157.01689	1.4
158.01308	2.1
158.99661	35.6
161.01253	7.2
167.02243	2.7
170.99660	2.9
172.02885	1.9
173.01221	7.5
175.02794	1.4
176.99191	1.8
177.00720	35.3
185.01265	3.8
189.00726	4.6
189.04385	1.3
191.02277	4.4
195.01782	4.9
199.02809	9.9
200.02338	6.0
201.00688	1.8
203.02286	4.3
209.01224	2.3
214.03944	1.5
215.02315	3.2
217.03813	5.9
219.01801	9.2
227.02261	2.5
233.03372	2.2
237.02858	5.8
240.99133	1.2
255.03882	1.4
275.04422	17.0
293.05453	57.1
311.06470	8.6
316.07181	8.0
317.17905	100.0
334.08228	1.4
335.18948	30.0
358.20590	11.7
377.19937	6.1
391.21582	3.1
403.21588	2.3
497.24094	5.5
553.26910	44.5
554.27271	1.1
613.41254	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	612.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38087	3.3
53.03935	8.1
53.80628	3.3
55.01883	4.0
55.05515	26.8
57.03441	18.3
67.05186	5.6
67.05511	66.5
69.03432	5.9
69.07079	19.3
71.05003	4.6
79.05502	38.1
81.02991	5.8
81.03431	83.4
81.07067	57.3
82.07430	3.6
83.04945	5.1
83.08630	23.4
85.06554	4.8
91.05477	36.7
93.06492	4.2
93.07050	58.6
95.04994	24.4
95.08617	46.0
97.10151	10.4
105.07042	34.0
107.04947	5.1
107.08621	26.4
108.70448	3.9
109.10159	16.8
111.08073	7.8
112.15936	3.1
117.07037	9.6
119.08589	21.3
121.10162	20.0
123.11694	5.1
129.06989	12.0
131.08588	20.8
133.10130	11.3
135.11694	14.3
137.09561	4.1
141.07089	3.5
143.08475	3.8
145.10149	10.4
147.08078	4.9
147.11697	10.1
149.09627	5.3
149.13219	5.6
157.10132	12.7
159.11729	9.0
161.13248	7.8
163.14787	5.0
173.13251	8.3
185.13254	4.8
193.12270	22.2
227.12814	4.6
261.22205	19.6
263.00323	3.6
267.15933	100.0
301.25281	5.9
317.24844	4.5
335.25851	93.6
435.32605	5.5
453.33871	5.1
471.34799	5.4
527.37439	60.0
545.38300	18.9
612.46747	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	611.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78269	1.0
53.03945	4.9
55.01873	2.6
55.05518	20.6
57.03438	6.6
57.07079	3.3
65.03934	2.3
67.05509	54.4
69.07072	18.0
69.28815	6.8
69.29237	3.3
71.04988	2.8
71.08598	1.2
79.05499	37.8
80.05840	1.7
81.03405	1.5
81.07064	49.4
83.04984	2.8
83.08624	10.6
85.06563	1.8
87.45628	1.0
91.05487	36.8
93.07050	44.9
95.04964	4.4
95.08617	39.5
97.06551	2.6
97.10191	6.8
98.42898	1.2
99.08113	1.3
103.05475	1.2
105.07040	37.5
107.08607	27.1
108.14996	1.3
109.06523	2.3
109.10162	19.9
111.08082	3.3
115.05395	2.8
117.07030	15.6
119.08594	32.2
121.10163	17.4
123.11703	5.7
125.09630	2.6
128.06235	2.2
129.07007	10.2
131.08583	26.2
133.10144	20.7
135.11737	12.1
141.07028	3.1
142.07857	1.3
143.08580	11.4
145.10143	21.3
147.11699	20.2
148.81476	1.1
149.02365	1.6
149.09605	2.0
149.13280	7.6
155.08568	7.5
156.09422	1.7
157.10146	14.3
159.11711	18.5
161.13293	13.4
163.14865	2.9
166.32219	1.3
167.08539	1.9
169.10121	8.0
171.11708	12.8
173.13278	12.9
175.14891	5.5
177.12770	1.2
181.10150	3.2
183.11717	6.5
185.13263	11.8
187.14891	6.7
189.16383	2.2
195.11768	2.4
197.13277	5.5
199.14862	8.4
201.16457	5.3
203.17946	2.1
209.13329	3.1
211.14970	3.7
213.16429	4.5
215.18066	2.8
220.07370	1.2
225.16382	2.4
227.18077	3.2
231.21156	1.7
239.18011	2.9
241.19611	8.5
243.21379	2.3
257.19125	4.0
257.22797	1.4
259.20587	18.1
261.22150	4.5
275.20093	2.4
277.21793	1.3
315.23151	2.8
317.24902	1.6
331.22903	1.6
333.24243	10.4
335.25858	19.4
337.27841	1.3
471.25159	1.7
519.42114	9.6
537.42871	3.9
555.44012	1.5
593.45636	8.6
602.30469	1.2
604.45093	1.3
611.46674	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32045	1.3
51.26589	1.1
53.03947	5.4
55.01876	1.9
55.05513	16.9
57.03441	6.4
57.07075	3.4
65.03931	2.8
67.05509	49.4
69.07074	19.0
70.58854	1.3
70.59209	3.7
71.08642	1.4
79.05063	2.4
79.05498	38.1
81.07061	51.1
83.04979	2.1
83.08625	9.9
85.06557	1.6
90.81160	1.2
91.05482	35.2
91.06014	2.5
93.07051	41.4
95.04974	4.0
95.08612	36.3
97.06546	3.5
97.10180	3.8
105.04527	1.8
105.07038	32.4
107.08600	25.5
109.06546	1.9
109.10157	19.0
111.08083	1.5
111.11725	1.4
112.79816	1.3
115.05447	2.4
117.07031	13.2
119.08591	27.3
121.10153	19.8
123.08117	1.6
123.11734	4.2
125.09709	1.7
128.06233	2.4
129.05531	1.4
129.07022	10.0
131.08569	24.1
133.10139	21.1
135.11688	12.5
137.09653	1.3
137.13268	2.0
141.07018	2.3
142.07797	3.2
143.08577	14.0
144.09328	1.9
145.10135	20.9
147.04424	1.4
147.11699	20.0
149.02367	1.7
149.13272	6.7
155.08592	5.0
157.10138	12.1
159.11713	19.7
160.12158	1.3
161.13284	12.8
163.14859	3.9
167.08507	1.8
169.10109	7.3
171.11711	13.9
172.03603	1.3
173.13275	12.5
175.14844	7.0
177.16438	2.0
181.10167	2.4
183.11696	5.3
185.13298	9.5
187.14803	5.7
189.16396	1.7
195.11749	3.4
197.13301	4.9
199.14847	6.4
201.16469	2.8
203.17979	2.1
209.13344	2.4
211.14824	3.5
213.16393	3.8
215.18027	2.5
219.21007	1.7
223.14929	2.4
225.16443	3.1
227.18155	1.4
229.19576	1.3
231.21129	2.7
239.17950	2.3
241.19594	8.0
257.19061	5.3
259.20590	17.5
261.22223	6.0
293.96884	1.2
297.24310	2.7
331.22739	1.8
333.24240	10.0
335.25891	18.0
353.28745	2.5
407.18414	2.3
501.35254	1.8
519.41943	8.9
537.43201	3.0
593.45551	9.4
611.46716	100.0
612.46997	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.01866	2.4
55.05516	19.8
57.03441	7.8
57.07076	3.7
58.72948	0.7
59.04996	0.9
64.52083	0.7
65.03944	2.8
67.05512	53.4
69.03406	0.9
69.07070	17.9
69.18043	8.3
69.18448	1.2
71.04995	1.8
71.08635	1.7
77.86591	0.9
79.05501	39.9
81.07065	50.0
83.04981	1.9
83.08636	9.3
85.06560	1.4
91.05489	37.6
93.07051	43.9
95.05006	3.0
95.08615	37.7
97.06538	3.5
97.10170	4.7
99.08105	1.7
103.05505	1.5
105.04531	1.4
105.07040	37.6
107.08611	25.3
109.06559	1.3
109.10167	18.7
111.08119	1.4
115.05447	2.5
116.06306	0.8
116.66537	0.8
117.07025	16.8
119.08590	30.7
121.06581	1.0
121.10156	21.7
123.08105	1.1
123.11729	5.6
125.09653	1.1
128.06281	2.8
129.05557	1.4
129.07008	11.9
130.07832	0.8
131.08577	28.5
133.10152	27.5
135.08040	1.3
135.11708	13.9
137.09691	1.1
137.13264	2.3
141.07001	2.5
142.07822	2.0
143.08574	13.2
144.09351	1.6
145.10136	23.0
147.11696	20.9
149.13295	7.1
151.11209	0.9
151.14803	1.3
153.07042	1.2
155.08551	5.9
157.10144	14.0
159.11711	21.3
161.13269	15.2
163.11234	1.0
163.14850	3.8
167.08592	2.1
169.10170	7.0
171.11687	13.0
173.13281	14.4
175.14807	7.5
177.12794	1.0
177.16435	1.8
181.10139	3.5
183.11703	8.2
185.13266	12.4
187.14809	7.4
189.12903	1.4
189.16490	1.9
193.10062	0.9
195.11748	2.3
197.13286	5.3
199.14827	7.9
201.16425	3.8
203.18015	1.6
205.15875	1.0
207.11815	1.1
209.13286	2.7
211.14862	4.8
213.16408	6.2
215.18051	2.3
217.16008	1.2
219.21051	1.2
223.14850	2.1
225.16422	2.5
227.18047	3.0
229.16016	0.9
229.19641	1.3
231.17517	1.3
231.21092	2.3
237.16463	1.4
239.18018	3.2
241.19614	9.2
243.21198	3.1
253.19768	1.5
255.21077	0.9
257.19052	5.3
259.20602	22.3
261.22272	5.0
271.20660	0.9
277.21674	1.1
297.21957	1.8
299.23746	1.5
311.23688	1.5
313.21912	1.1
313.25333	1.4
315.23407	1.3
315.26910	0.9
331.22699	0.9
333.24304	11.8
335.25833	22.9
337.27866	1.4
339.26749	1.2
353.28497	1.0
365.28546	1.0
393.31833	0.9
407.32959	0.8
463.35556	1.1
487.34000	1.4
501.40970	1.9
503.37415	1.4
519.42029	7.2
529.38788	1.4
537.43207	4.0
540.17932	0.9
541.38977	1.6
593.45825	10.2
611.46753	100.0
612.46875	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	611.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.01867	1.8
55.05267	1.1
55.05516	15.8
56.02042	0.6
57.03442	3.6
57.07080	5.4
65.03956	1.7
67.05510	33.4
69.03424	1.1
69.07075	17.9
69.25938	5.8
69.26260	1.2
71.04995	1.1
71.08622	2.0
73.09118	0.6
75.65704	0.7
77.03925	0.8
79.05497	22.2
81.07066	31.1
83.04974	1.5
83.08630	8.8
85.06558	1.0
91.05484	17.0
93.07055	23.5
95.04969	2.6
95.08612	26.7
97.06554	3.2
97.10167	5.8
99.08106	0.6
100.87837	0.6
105.04534	0.6
105.07035	22.0
107.04921	0.6
107.07878	0.9
107.08604	16.5
109.06538	1.5
109.10155	11.6
111.04424	0.8
111.08095	1.5
111.11744	0.8
115.05467	1.7
117.07029	13.8
119.08595	18.0
121.06517	0.8
121.10152	10.1
123.08114	1.1
123.11694	3.5
125.09653	1.6
127.11214	0.7
128.06235	3.3
129.05524	1.5
129.07008	11.4
131.08583	19.6
133.10141	12.6
133.38846	0.6
135.08029	0.9
135.11710	6.5
137.13268	1.3
141.07013	3.5
142.07802	2.5
143.08568	14.9
144.09425	0.8
145.10123	18.9
147.04413	2.2
147.11696	6.7
149.02364	4.8
149.09711	1.1
149.13275	3.7
151.11150	0.7
154.07816	1.4
155.08566	8.8
156.09344	1.2
157.10138	14.9
159.11703	12.6
161.13252	5.2
163.11241	0.7
163.14873	1.1
165.07068	0.8
167.03438	6.1
167.08577	2.0
169.10138	8.8
171.11696	11.2
173.13269	8.1
175.03992	0.7
175.14793	3.0
177.16425	1.7
179.08543	1.0
181.10182	4.1
182.10925	1.0
183.11717	8.0
185.13260	8.8
187.14810	4.8
189.16435	1.8
191.18030	0.9
193.10068	1.2
195.11699	4.2
197.13300	6.9
199.14859	6.1
201.05554	1.1
201.16371	3.4
203.18005	3.1
205.19547	1.3
207.11769	1.2
209.13300	3.4
211.14838	4.0
213.14682	0.8
213.16458	3.8
215.17990	3.5
217.19633	1.1
219.21118	2.5
221.13315	1.5
223.14900	2.0
225.16479	3.7
227.17990	4.1
229.19478	3.4
231.21077	0.9
237.16467	1.8
237.22153	2.5
239.17949	2.3
241.19653	2.4
243.21152	2.3
245.18915	0.7
249.16516	1.1
251.17952	1.5
253.19591	1.0
255.21310	1.5
257.19070	1.2
259.20776	1.4
265.19690	0.7
267.21201	1.3
267.28287	0.7
269.08078	2.6
269.22934	0.8
275.20068	1.5
277.21820	1.4
283.20590	1.1
293.22556	0.8
297.24484	5.2
299.23782	1.0
309.22171	0.9
323.23752	1.5
325.25293	1.0
327.23181	0.8
337.24585	0.8
339.27078	0.9
341.24847	1.0
351.26770	1.0
353.28448	1.5
367.29953	1.4
381.31662	1.5
395.33237	0.8
397.31036	0.8
407.33505	1.1
411.32578	0.7
435.32602	0.9
449.34109	1.3
471.25412	2.1
499.33539	0.8
501.41013	2.0
519.42084	8.1
527.37659	0.9
537.43005	5.7
541.38812	0.7
575.45148	1.4
593.36682	1.6
593.45636	10.2
611.38666	4.3
611.46735	100.0
612.46948	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.05517	10.8
57.03429	1.8
57.07070	5.3
58.99107	1.0
65.03938	4.6
67.05172	2.1
67.05506	24.6
69.03439	1.7
69.07073	23.7
71.05002	1.2
71.08628	2.9
73.04755	1.2
79.05499	15.6
81.03431	1.3
81.07060	31.9
83.04990	3.0
83.08625	4.0
91.05480	17.2
92.39069	1.1
93.03410	3.1
93.07045	20.7
95.04977	2.5
95.08612	30.4
97.06505	1.7
97.10181	2.6
103.05453	1.3
105.07037	21.9
107.04980	3.5
107.08607	19.2
109.06514	1.4
109.10164	18.5
111.04440	2.9
111.11736	2.2
113.01810	1.1
115.05405	1.4
117.07040	6.9
119.04961	5.6
119.08585	19.8
121.02850	3.2
121.06501	2.1
121.10151	18.3
122.97359	1.1
123.00831	1.1
123.11704	9.9
126.32481	1.0
127.11254	1.1
129.05492	1.9
129.07008	2.3
131.01279	4.7
131.04907	1.2
131.08554	6.7
133.10133	16.7
135.11681	8.8
137.02338	2.8
137.13257	1.6
139.11203	1.5
141.06973	1.7
143.08592	2.8
145.10103	7.6
147.04416	27.1
147.11693	18.2
149.02348	77.7
149.13266	4.5
151.03891	3.1
153.07028	1.2
155.08514	1.5
157.10129	3.3
159.11713	6.1
161.02335	2.6
161.13266	8.3
163.03911	7.8
163.14822	2.8
164.11273	1.2
167.03407	100.0
169.10175	2.2
171.11682	2.8
173.02365	2.7
173.06030	2.1
173.13287	3.5
175.03925	7.7
175.14862	3.4
177.05458	2.6
181.04881	2.3
183.11716	2.7
185.13184	1.6
187.03923	4.2
187.14795	1.9
188.04724	1.7
189.05498	5.3
189.16388	2.1
191.03467	1.6
191.07097	1.8
191.17822	1.6
195.11636	1.4
197.13290	1.6
199.14726	1.5
200.04774	1.7
201.05508	18.4
201.16457	2.5
203.07062	3.2
203.17970	23.4
205.04977	2.6
211.14894	1.4
213.05510	2.1
215.07036	4.5
215.17979	1.5
217.08620	1.2
219.06544	4.0
219.21106	2.1
227.07027	7.8
229.08583	2.3
237.22119	2.7
239.17921	1.8
241.08594	3.6
255.10078	3.1
257.08197	2.6
257.18674	1.4
259.13239	1.3
259.20648	1.9
261.22241	1.5
267.10202	1.8
269.08096	41.2
269.11572	3.8
275.19766	1.4
277.21503	1.4
281.08035	5.2
283.09900	1.8
283.13205	2.7
287.12708	6.6
289.14386	1.4
295.09888	2.6
295.13275	2.6
297.24435	5.5
307.09686	4.4
309.11292	1.6
321.11194	4.1
335.26086	1.6
347.12643	2.6
351.19601	17.2
353.21021	1.8
369.20465	1.9
389.17532	7.2
391.19031	2.4
403.18967	3.8
407.18552	4.3
415.18951	1.6
471.25378	37.0
471.32004	2.1
473.26752	1.9
491.31290	1.5
593.36676	5.7
593.44629	1.4
611.37079	53.4
611.46179	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	611.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.1
53.03941	3.5
55.01874	4.0
55.05513	16.3
57.03445	9.8
57.03714	1.5
57.07075	1.4
65.03931	3.9
66.48607	1.0
67.05508	45.9
69.03426	2.3
69.07076	11.6
71.04995	2.2
71.55089	1.7
75.04462	1.1
78.14529	1.0
79.05498	36.8
80.05827	1.2
81.03416	6.2
81.07062	38.8
82.07388	1.6
83.04984	2.3
83.08620	5.4
91.05486	31.2
92.05796	1.7
93.07050	30.5
93.07625	1.6
95.00764	2.0
95.01335	28.1
95.04975	9.1
95.08611	30.2
97.06540	3.8
97.10175	4.7
103.05495	1.2
105.04543	1.4
105.07035	19.4
107.04962	8.5
107.08601	16.9
109.02868	1.6
109.06506	2.9
109.10151	10.2
111.08089	2.6
112.94894	1.2
115.05427	2.7
117.07021	9.2
119.04944	5.2
119.08584	12.9
121.06508	3.1
121.10147	12.9
123.04440	3.9
123.08112	1.8
123.11698	3.5
125.09606	2.7
125.51686	1.0
128.06238	2.5
129.07018	5.2
131.04932	2.7
131.08589	11.7
132.08926	1.1
133.06473	3.3
133.10127	8.3
135.04492	1.3
135.11690	7.2
137.06003	1.3
140.76324	1.1
141.06975	2.2
142.07762	1.6
143.08539	3.8
145.06462	6.5
145.10149	8.2
146.10538	1.2
147.04413	100.0
147.08035	2.4
147.11688	4.7
149.05945	1.7
149.09637	2.2
149.13245	3.5
154.07832	1.5
155.08554	3.3
157.06509	2.5
157.10139	4.5
159.08044	1.7
159.11728	4.9
161.06003	7.4
161.13274	3.1
163.11165	2.3
163.14819	1.9
165.06950	1.1
167.03462	1.6
167.08588	2.3
169.06464	1.9
169.10121	1.4
171.04433	2.9
171.08049	3.0
171.11676	2.4
173.06012	2.1
173.09604	2.1
173.13211	3.4
175.07611	1.8
175.14862	1.2
179.08560	1.2
183.08044	2.3
185.05981	2.6
185.13240	2.5
187.07617	2.1
187.14857	1.2
195.11729	1.8
197.09615	1.3
197.13211	1.1
199.07463	1.9
199.14738	1.4
209.09613	1.5
213.12903	1.4
223.11221	1.7
227.12628	2.0
231.13939	1.5
241.12254	1.9
243.21127	2.0
249.14850	2.7
258.19415	1.5
259.13312	75.9
261.22247	5.0
275.20142	2.2
276.20239	2.0
277.14389	4.0
289.14310	6.3
297.14850	3.7
303.15897	1.3
315.15875	9.7
333.16956	20.3
335.25797	36.6
471.24921	1.8
501.33768	2.6
519.34637	3.4
593.38055	7.1
611.37976	14.1
611.46222	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	611.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57677	1.3
53.00296	1.4
53.03945	3.4
55.01862	2.9
55.05507	14.1
55.30494	1.6
57.07087	6.9
65.03934	5.9
67.05507	29.0
69.03426	2.2
69.06681	1.5
69.07074	29.1
71.04972	1.4
71.08640	2.7
71.55193	2.2
78.88477	1.3
79.05506	22.3
81.03415	2.5
81.07063	40.2
83.04978	3.4
83.08650	8.0
85.06549	2.1
91.05473	22.5
93.03391	2.1
93.07051	28.4
95.04963	3.0
95.08612	31.1
97.10150	3.5
103.05460	1.9
105.07043	28.7
107.08601	24.2
109.10166	18.4
111.04473	2.5
111.11733	2.2
117.07014	5.3
119.04950	9.7
119.08591	20.9
121.02902	1.9
121.06499	2.3
121.10155	19.0
123.11682	7.5
129.05475	3.7
129.07040	3.8
131.01311	4.1
131.08560	11.9
133.10139	16.5
135.11690	10.5
137.02362	4.5
137.13295	2.2
143.08556	6.2
145.10115	10.5
147.03271	1.7
147.04414	25.2
147.08093	1.5
147.11696	15.0
149.02354	76.0
149.13283	5.7
151.04004	3.5
157.10178	4.3
157.21558	1.6
159.11734	7.2
161.02379	3.0
161.13281	10.2
163.03929	8.8
163.14874	3.4
167.03419	100.0
169.10194	1.7
171.11607	3.1
173.02374	1.5
173.13293	5.3
175.03893	6.7
175.14856	4.6
177.05476	4.8
183.11671	1.6
185.13187	2.2
187.03935	4.8
187.14844	2.0
189.05475	3.6
189.16379	2.4
191.07108	1.5
193.04956	1.8
201.05482	16.6
203.07077	3.3
203.17972	27.2
205.05029	2.7
213.05470	2.6
215.07066	5.6
215.17921	2.5
219.06577	2.9
219.21022	2.5
222.69661	1.5
227.07060	9.0
229.08614	2.7
237.22107	3.2
239.06943	1.5
239.17979	1.8
241.08664	5.1
241.19682	2.0
253.08578	1.9
257.08096	3.8
257.19022	2.4
259.13287	1.6
259.20648	2.6
261.87207	1.5
267.10049	1.5
269.08142	39.4
269.11636	4.9
277.21732	2.2
279.23114	2.6
281.08112	4.9
283.09430	1.6
283.13187	4.2
287.12811	10.3
295.09927	2.9
295.13101	2.8
297.11176	1.9
297.24155	8.9
307.09583	4.2
319.22763	1.4
321.11270	5.6
333.24301	2.6
335.12656	1.7
335.25787	2.0
347.12830	1.9
351.19528	16.9
357.91498	1.5
369.20572	2.1
389.17432	5.0
391.18896	2.3
407.18716	4.9
415.18845	1.9
471.25320	44.0
473.26599	3.0
491.32129	2.0
519.41888	1.5
593.36066	6.2
593.45197	2.7
611.37067	61.3
611.46320	31.0
612.37323	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	611.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91197	1.6
55.01877	2.0
59.70590	1.8
69.03423	6.4
70.72990	5.2
71.05039	1.6
79.05487	3.2
81.03408	4.9
81.07043	3.0
85.02925	13.3
86.09708	2.8
87.00826	3.8
91.05486	4.8
93.07044	3.5
95.04971	3.1
97.02863	2.8
103.05457	8.1
105.01857	4.9
105.07048	4.3
107.04952	2.5
109.02899	5.2
111.04427	2.2
116.01685	2.0
119.08545	2.1
121.06458	3.9
122.03640	6.9
127.03913	7.6
131.04965	10.4
133.06516	17.5
135.08046	4.6
137.05988	100.0
145.06517	3.5
147.08090	2.0
149.06013	3.1
151.07545	8.0
157.06468	1.7
158.02635	1.9
161.05969	2.5
163.07545	26.2
167.07114	2.5
175.07565	5.4
181.08630	1.8
187.07509	3.7
189.09120	5.1
191.03400	2.0
201.09122	3.1
203.07098	2.0
203.10571	4.3
229.08649	2.8
250.21178	1.9
275.56934	2.1
287.05542	2.5
293.64917	1.8
295.13306	10.5
303.05185	3.5
317.06729	2.5
319.13058	1.9
327.15903	15.6
351.15952	3.4
378.83734	2.1
404.53036	1.6
411.18060	2.7
425.09012	2.0
449.17310	2.3
473.10489	1.8
492.82452	1.7
531.58081	1.8
601.83545	2.1
611.22791	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	611.1611
Annotation	Lucenin 2
Peak:m/z	Relative Intensity
55.01876	2.3
57.03443	1.9
59.85321	1.3
60.72595	1.3
65.03943	1.6
68.99796	7.3
70.06210	4.8
81.03412	4.1
85.02911	4.0
85.09557	1.3
89.05605	1.3
91.05554	1.5
93.03378	1.3
95.04991	2.0
97.02898	1.6
98.21406	2.1
107.04988	2.1
109.02902	3.8
111.00815	4.8
111.04450	1.7
119.04935	3.2
119.43817	1.5
121.02933	2.0
123.04445	10.3
127.03926	83.1
129.06987	1.6
133.02872	2.5
135.04425	8.6
136.53133	1.3
137.02345	12.9
139.03912	100.0
147.04427	10.0
149.02309	2.5
151.03900	24.7
155.03329	1.7
155.04832	1.6
159.04387	3.2
161.02303	3.8
163.03915	10.7
165.01881	1.5
165.05553	2.2
167.03410	4.2
169.04990	1.7
171.04433	1.7
173.06145	1.8
175.03918	12.7
177.01848	2.9
177.05461	4.9
179.03407	36.6
179.04916	2.3
181.04924	3.9
181.22922	1.5
183.04514	1.6
185.06073	2.3
186.96967	1.6
187.03986	2.8
189.01906	3.4
189.05495	3.5
190.02597	1.4
191.03395	13.8
193.04968	3.6
195.02991	2.4
197.05974	1.9
199.03929	5.5
199.07538	1.3
201.05508	4.9
203.03409	18.1
207.02905	4.0
213.05487	5.5
215.03430	2.7
217.04979	6.2
219.02740	2.3
221.04462	2.0
227.03329	1.5
227.08711	3.4
229.04961	9.8
231.06479	2.5
233.04456	8.1
241.05038	2.0
243.02339	1.8
245.04494	15.3
253.05077	1.6
255.08437	2.1
257.04514	15.2
259.05984	3.6
263.05508	14.5
269.04404	4.9
271.06033	4.7
273.09375	7.0
275.05542	18.4
281.03772	1.8
283.06128	2.6
285.03922	1.6
287.05539	39.4
289.06992	1.8
295.05994	3.3
297.07608	2.9
299.05515	19.9
305.06485	8.4
306.27167	1.4
307.08185	5.2
309.07587	3.3
310.04819	9.2
311.05521	37.9
312.06149	4.9
313.07047	3.9
317.06509	19.4
323.05573	22.8
323.09183	2.8
324.06390	7.1
325.07138	7.5
329.06680	3.0
335.05334	2.9
337.07080	14.2
338.07874	3.9
341.06598	47.7
349.06918	2.2
351.08655	5.4
353.06610	28.3
361.07059	2.7
363.08612	4.1
365.06604	16.0
367.08191	9.7
371.07550	9.3
377.06595	6.7
379.08124	2.0
381.09680	4.3
383.07788	2.5
389.06479	3.7
391.08087	4.0
395.07611	24.2
407.07730	13.3
417.10236	1.8
419.07602	11.1
425.08685	40.9
437.08774	11.8
443.09796	32.8
449.08768	4.0
455.09805	18.4
461.09656	2.6
473.10834	39.1
491.11658	8.2
497.10764	14.1
509.10773	2.8
515.11810	7.2
521.10510	4.0
527.12061	10.1
539.11877	10.5
545.12958	2.8
557.13080	10.8
575.14124	10.5
593.14685	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1607
Annotation	Lucenin 2
Peak:m/z	Relative Intensity
50.05990	2.0
51.96471	2.1
55.01854	2.1
57.03437	3.1
61.23010	2.3
70.79169	5.8
73.74747	2.0
78.48748	2.3
85.02895	7.6
91.05474	2.5
100.77378	2.3
103.38309	2.2
109.02874	3.5
135.04402	10.3
137.02362	35.4
137.03375	2.2
161.02290	7.1
163.03900	3.0
173.02284	2.5
175.03850	2.4
177.01859	8.3
179.03381	4.0
187.03937	5.3
189.01814	13.9
190.02728	2.4
190.12378	2.3
191.03423	7.9
195.02882	8.9
199.03917	3.0
201.01727	2.9
201.05486	4.6
203.03372	15.2
205.04997	2.9
207.02922	7.3
215.03487	5.4
217.04997	8.7
219.02937	6.2
221.04445	3.0
227.03404	3.5
229.05011	5.3
230.93250	2.1
235.52428	2.4
243.02872	5.1
245.04404	2.7
247.05922	3.0
249.94687	2.3
252.93103	2.7
255.03001	4.3
257.04471	3.4
279.06516	2.4
283.06064	6.0
284.06693	7.1
295.05942	7.3
297.07632	5.7
299.05606	7.5
300.06296	3.3
307.05984	2.9
309.07617	5.3
310.04755	25.9
311.05508	96.7
312.06183	8.2
312.16483	2.3
313.07111	10.4
323.05533	54.9
324.06354	21.9
325.06992	16.7
329.06299	4.6
333.07648	3.9
335.05505	5.6
335.09064	3.1
336.06274	4.2
337.07022	32.4
338.07819	12.4
339.04889	3.3
339.08685	4.2
341.06595	97.3
345.07245	2.8
349.06985	9.1
351.08630	19.3
352.05582	3.2
352.09467	3.0
353.06586	78.2
361.06943	2.6
363.08701	11.6
365.06561	35.6
367.08044	29.4
371.07587	18.9
377.06616	21.5
379.08096	8.0
381.09671	16.8
383.07782	4.9
389.06433	6.4
391.08243	13.7
395.07648	55.2
401.06293	4.2
405.09610	3.7
407.07626	33.2
419.07635	23.3
425.08749	45.4
429.09555	2.6
431.07996	4.3
437.08682	25.2
443.09702	40.2
449.08710	3.4
455.09790	33.7
461.08850	4.9
473.10834	100.0
479.09436	6.1
491.11765	16.6
497.10910	29.3
509.10657	5.3
515.12048	21.3
521.10657	9.4
527.11786	21.5
527.54858	2.5
539.11639	24.4
545.12598	7.1
557.12842	30.4
567.29211	2.6
575.13867	17.6
593.14722	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	611.1607
Annotation	Herbacetin 8-rutinoside
Peak:m/z	Relative Intensity
55.01888	2.4
57.03421	3.8
62.60517	1.9
68.99800	2.2
69.65394	12.5
79.99660	2.0
81.03427	5.4
85.02886	7.4
85.73502	2.0
93.03362	3.0
103.03937	2.7
107.04964	5.2
109.02892	3.0
121.06493	2.2
122.88688	2.3
132.81790	2.2
135.04414	12.3
137.01393	2.4
137.02350	25.3
147.04387	2.4
161.02322	3.3
165.01836	2.9
177.01860	5.6
179.03471	5.6
181.70326	2.1
187.03987	2.4
189.01794	14.1
191.03421	5.8
195.02924	9.7
203.03409	13.6
207.02898	9.1
213.12338	4.3
215.03508	2.3
217.05011	9.1
219.02876	3.8
221.04396	3.2
227.03210	2.5
229.05005	8.2
231.02939	3.7
243.02946	3.5
255.02876	3.7
269.89020	2.1
283.02301	2.1
283.05865	4.3
284.06686	3.0
295.06122	5.2
297.07495	3.7
299.05536	22.8
300.06232	4.3
303.05014	4.1
309.07562	4.4
310.04688	16.1
311.05499	100.0
312.06210	10.4
313.07001	15.1
317.06573	7.2
323.05499	78.7
323.08609	1.9
324.06244	14.3
325.07022	22.7
328.05569	3.1
329.06619	15.6
335.05405	10.1
336.06284	7.2
337.07028	39.0
338.07935	5.4
339.05127	4.0
339.08679	8.2
340.05676	3.0
341.06555	88.0
342.07199	4.1
345.07727	2.4
349.06918	10.8
351.04858	6.6
351.08646	28.3
352.05865	8.9
353.06570	55.0
353.10709	4.6
355.08124	5.1
361.06888	3.1
362.07782	2.8
363.04523	3.9
363.08533	12.7
365.06595	40.9
365.10791	3.7
367.08112	18.0
369.05933	8.3
371.07523	3.6
373.07397	3.2
377.06488	13.4
379.08096	18.1
381.05765	5.6
381.09714	14.1
383.07526	7.7
389.06522	8.4
390.07635	2.3
391.08145	15.5
393.06030	6.4
395.07654	24.7
397.08896	2.4
403.07709	3.3
407.07651	40.8
409.09280	11.9
411.06976	3.4
413.08365	4.8
419.07495	15.5
425.08685	33.0
431.09619	6.1
433.09265	4.5
435.06824	3.1
437.08685	37.7
438.08881	2.8
443.09882	23.8
449.09897	6.9
451.10294	2.8
453.08044	3.1
455.09753	72.6
461.08795	7.1
463.09683	2.8
473.10950	33.7
475.10300	3.0
479.09656	10.6
491.10480	12.9
497.10745	31.9
503.10126	4.7
509.10986	18.3
511.12561	5.2
515.11945	2.9
521.10706	16.9
527.11914	14.9
539.11945	35.3
557.12952	57.8
575.13995	63.7
593.14746	7.3
611.15521	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	611.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05359	0.9
55.01865	2.0
58.26376	1.0
65.03938	1.7
68.99796	6.3
71.38312	1.7
75.05335	0.8
81.03407	3.6
95.04928	1.8
99.04456	1.0
100.77347	1.0
105.03355	1.5
107.04974	1.4
109.02870	4.7
111.00152	1.0
111.00828	6.4
111.04453	2.0
113.00253	0.9
118.06430	0.9
121.02853	2.9
123.04428	10.7
127.03928	81.0
133.02867	3.2
135.04433	3.1
137.02348	2.3
137.05930	1.1
139.03912	100.0
142.89943	0.9
147.04390	4.6
149.02362	3.5
151.03912	34.0
152.16185	0.8
153.01851	1.8
153.05505	1.0
155.03398	1.1
157.06540	1.3
161.06017	1.3
163.03931	11.7
165.05475	2.5
167.03409	5.1
169.04987	0.9
171.04419	2.2
175.03909	12.9
177.05505	5.8
179.03410	32.0
181.04970	3.5
185.05975	2.0
187.03961	1.2
189.05460	4.2
191.03418	13.1
193.04901	4.3
197.05934	1.1
199.03922	2.8
201.05434	5.3
203.03404	17.9
205.04871	2.1
211.03998	1.1
213.05489	6.9
217.04919	4.6
221.04604	1.1
225.05464	1.2
229.04994	7.6
231.06598	2.5
233.04471	7.7
241.05052	3.0
245.04494	14.1
247.06047	1.1
251.05452	1.6
253.05132	1.3
257.04446	14.8
259.06076	2.3
263.05521	17.4
269.04425	3.7
271.05951	2.9
275.05530	20.5
287.05533	38.0
289.07010	2.4
299.05502	15.8
305.06619	8.1
307.08240	7.0
311.05600	4.6
317.06595	21.6
323.05597	2.3
337.07193	1.1
341.06522	1.9
353.06677	1.1
365.06442	1.7
370.39154	1.0
407.07553	3.4
424.65707	1.0
425.08679	24.0
443.09799	15.0
457.57083	0.9
473.10886	2.8
510.58255	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47618	1.6
55.01862	1.8
65.03930	2.4
68.99792	5.7
71.29057	3.3
72.32796	1.8
79.92624	1.7
81.03420	4.2
83.03848	1.7
85.02905	3.3
89.90365	1.6
91.05473	4.2
107.04967	2.1
109.02850	3.8
111.00794	6.3
111.04395	2.8
112.04232	1.5
119.04905	4.0
123.04430	9.7
127.03925	83.4
131.04988	2.0
133.02844	2.5
135.04446	6.0
137.02335	7.3
139.03914	100.0
147.04427	16.8
149.02397	2.7
151.03925	28.0
152.33897	1.9
157.06448	1.8
161.02374	2.0
162.99358	1.6
163.03935	9.6
165.05441	2.8
167.03445	4.3
169.04953	1.7
171.04410	2.0
171.17310	1.9
175.03955	10.5
177.05470	5.1
179.03416	34.4
181.04962	4.5
189.01952	3.1
189.05405	3.9
191.03427	13.6
193.04970	3.6
201.05461	5.0
203.03398	20.7
205.00533	3.0
205.04961	3.4
207.02904	2.6
213.05487	6.8
217.04988	7.9
227.08798	7.5
229.04953	4.5
231.06537	3.6
233.04437	6.4
241.04918	3.6
243.02269	3.5
245.04489	12.6
255.08241	5.1
257.04449	14.1
259.01477	2.0
259.06018	3.0
263.05542	14.6
269.04529	3.3
271.05951	4.3
273.09250	9.8
275.05521	23.9
287.05530	40.9
289.07101	2.9
299.05551	20.5
305.06601	8.0
307.08133	7.6
309.07764	2.4
310.04715	5.9
311.05493	24.8
313.06992	3.7
317.06537	18.4
323.05624	10.0
324.06372	3.7
325.07028	4.3
329.06653	2.3
337.07034	8.2
338.07724	3.4
341.06570	31.8
349.07108	3.7
351.08792	4.8
353.06586	19.8
363.08832	2.5
365.06592	10.0
367.08102	6.4
371.07727	7.3
377.06638	6.3
389.06705	2.6
391.08218	2.7
395.07590	15.2
407.07565	7.9
419.07736	7.7
425.08701	34.6
437.08725	7.7
443.09741	18.6
449.09036	2.2
455.09930	9.1
465.02328	3.4
467.09763	2.3
473.10910	23.3
491.11530	5.5
497.10809	8.7
515.11694	5.2
521.10559	1.9
527.11932	5.0
539.11816	5.6
545.13037	2.3
545.32526	2.0
557.12708	10.0
575.13763	6.9
576.69489	2.0
593.14661	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	611.1606
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03960	0.4
54.93582	0.3
55.01865	0.3
57.03436	1.6
68.99796	0.4
69.03416	1.1
69.34496	0.3
69.52738	2.1
70.50787	0.3
71.05000	10.7
73.02931	0.5
73.72482	0.3
75.04479	0.5
81.03416	0.8
83.03142	0.3
83.04968	0.6
85.02909	14.8
87.04463	0.5
97.02880	0.9
99.04436	0.4
109.02876	0.7
111.00811	0.8
121.02879	0.8
123.04401	0.4
127.03927	0.9
129.05486	3.2
137.02333	2.9
145.04987	0.9
147.06525	0.9
149.02361	0.4
153.01839	3.3
161.90144	0.3
163.03860	0.6
165.01845	1.6
166.78958	0.3
179.03384	0.3
183.02907	1.0
183.04341	0.3
192.79089	0.3
195.02789	0.4
201.05363	1.5
229.04964	4.2
247.06081	0.6
257.04443	2.8
274.04724	0.7
285.03995	1.1
303.05005	100.0
304.05338	1.8
311.05460	0.5
341.06390	0.3
345.05939	0.5
403.93015	0.3
437.08841	0.4
447.38013	0.3
456.54495	0.3
465.10120	0.4
497.11969	0.4
517.09222	0.3
557.12799	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	0.9
53.03951	1.1
55.01863	2.4
65.03945	1.4
68.99794	5.3
69.48695	2.1
69.49122	3.0
69.51726	0.6
71.43813	0.7
75.52829	0.6
81.03417	2.9
85.02924	0.8
86.78789	0.6
91.05485	0.8
95.04976	1.1
98.97578	1.4
99.04490	1.5
105.03387	1.0
107.04930	0.8
109.02890	4.6
111.00812	6.3
111.04442	0.8
121.02876	1.4
123.04434	10.4
127.03927	100.0
133.02861	2.0
135.04436	2.3
137.02347	2.0
139.03911	87.4
147.04424	6.2
149.02364	2.4
151.03914	26.3
153.01875	0.9
155.03395	2.0
157.06573	1.0
159.04436	1.5
161.02399	0.9
161.06038	1.5
163.03917	6.8
165.05507	2.1
167.03407	4.1
167.04724	1.0
169.05011	1.7
171.04465	2.3
173.06058	1.3
175.03926	12.8
177.01764	0.7
177.05496	4.1
179.03409	35.1
181.04953	2.8
183.04587	0.9
185.05928	1.6
187.03960	1.2
189.01843	0.8
189.05507	3.2
191.03394	10.0
193.04881	3.5
195.06573	1.4
199.03932	2.4
201.05353	3.4
203.03401	21.0
205.05025	2.0
211.04056	0.8
213.05521	4.5
215.03441	1.1
217.05013	5.0
229.05003	4.0
231.06531	2.9
233.04494	5.3
241.04935	2.2
243.06502	0.8
245.04494	10.0
253.05182	1.0
257.04440	10.4
259.06079	3.5
263.05518	18.2
269.04575	2.8
271.05942	3.2
275.05511	18.0
287.05518	35.8
288.05939	0.9
289.07129	2.1
297.07620	1.0
299.05536	20.1
305.06598	7.0
307.08136	6.8
307.17175	0.8
310.04749	1.5
311.05493	6.1
313.07330	1.0
317.06607	16.7
319.08087	0.9
323.05533	4.0
324.06232	1.1
325.07007	1.0
329.06326	1.0
335.05789	0.9
337.07034	2.9
341.06662	6.0
351.08862	1.7
353.06750	4.9
365.06735	3.5
367.08112	1.9
371.07663	1.1
377.06577	1.6
389.06903	1.1
391.08032	0.9
395.07852	4.0
407.07523	3.1
419.07843	1.7
425.08691	20.8
437.08749	2.3
443.09802	11.9
449.09109	1.0
455.09659	2.3
473.10837	6.1
491.11755	1.7
497.10681	1.9
527.12048	2.0
539.11603	1.2
557.12787	2.3
575.13837	1.1
592.69385	0.8
593.14490	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39614	1.1
55.01874	1.9
55.05501	2.4
57.03438	2.6
61.02917	1.7
67.05486	5.5
69.03410	5.7
69.07064	7.6
69.35924	7.1
69.36350	3.6
71.04993	2.7
79.05493	13.5
81.03423	2.2
81.07063	7.2
83.04984	16.7
84.22336	1.3
85.02916	11.3
91.05483	7.8
93.07060	11.6
95.04980	6.0
95.08614	3.5
97.02893	4.5
97.06541	15.5
99.04443	4.2
100.91122	1.3
105.06384	2.0
105.07030	21.8
107.04958	13.5
107.08601	14.9
109.02835	1.6
109.06491	5.1
109.10094	1.4
111.04460	1.2
117.05470	4.5
117.07012	3.8
119.04910	1.5
119.08575	5.4
121.02863	1.7
121.06513	13.8
121.10109	1.7
125.06006	26.9
127.03877	1.5
128.50696	1.2
129.06982	1.7
130.07771	2.3
131.08534	4.5
133.06483	4.7
133.10072	1.3
135.04448	1.9
135.08105	2.9
135.11697	3.3
135.88161	1.3
137.05963	3.1
139.07544	4.5
143.07037	35.5
143.08661	2.0
145.04903	1.4
145.06479	3.4
145.10133	43.5
145.11296	2.2
147.11679	5.7
151.07533	5.0
158.07253	1.7
159.08075	2.4
159.11694	9.1
161.09563	1.7
161.13322	1.2
163.07516	2.4
163.11191	100.0
167.07018	6.2
169.10002	2.8
172.08859	1.6
173.09627	30.7
177.12764	3.5
180.08554	1.2
181.12311	1.9
187.11197	20.3
189.12808	2.0
191.10677	24.3
195.10086	1.4
197.09671	2.9
205.12239	21.1
209.11731	4.0
213.11198	2.3
215.10683	26.9
219.08488	1.8
229.04881	1.5
233.11737	78.9
251.12825	23.3
269.13852	22.1
287.14880	4.0
296.06564	1.6
303.05002	7.9
311.05469	3.5
323.05511	3.4
324.05807	1.8
337.06668	1.5
341.06458	2.6
353.06409	3.8
355.07010	1.8
395.81616	1.5
407.07581	1.7
413.18011	2.8
417.82794	1.5
437.08389	1.6
448.16354	2.6
455.09799	2.7
473.10693	1.6
539.12115	1.6
557.13007	3.3
572.97736	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.7
55.05523	5.0
57.03456	3.5
60.04513	2.5
61.02933	2.7
65.83739	2.3
67.05506	6.7
69.03430	9.4
69.07076	15.7
70.01027	7.5
70.01442	4.0
71.04998	6.9
72.77776	2.2
73.02918	3.2
79.05493	17.5
81.03408	4.0
81.07061	15.7
83.04984	31.8
83.78612	2.2
84.08139	6.9
85.02908	16.1
85.06515	5.5
91.05470	14.8
93.07053	27.5
95.04980	15.7
95.08601	6.5
97.02901	6.9
97.06527	30.4
98.21431	2.7
99.04454	10.0
101.06059	2.5
105.07034	33.3
107.04952	11.5
107.08600	22.5
109.06522	20.4
111.08094	6.0
113.06085	2.9
115.82359	2.5
117.07014	7.5
119.04945	15.8
119.08544	12.0
121.02863	6.0
121.06516	24.2
121.10112	3.8
123.04459	2.0
125.06009	56.6
127.03937	6.8
127.07584	8.3
129.06992	3.5
130.07768	4.2
131.08551	11.8
133.06476	5.2
133.10106	6.1
135.08035	3.9
135.11719	4.3
137.05971	7.9
139.07565	12.3
141.07010	2.6
143.07042	69.2
143.08559	6.0
144.09317	3.4
145.05222	2.1
145.06480	7.0
145.10129	71.6
147.11671	9.1
151.03954	2.9
151.07530	6.6
154.02631	2.3
154.07800	3.2
157.08649	15.4
158.07277	3.3
159.08032	4.7
159.11691	32.0
161.09579	3.5
161.13329	4.1
163.07501	4.3
163.11188	70.1
163.43192	2.4
169.10124	10.6
171.11674	3.5
173.09627	44.8
177.12817	14.8
179.08531	3.2
182.07320	3.1
187.11183	53.7
189.12787	3.9
191.10718	26.2
197.09595	9.0
205.12250	71.0
206.09441	2.6
209.11713	4.4
215.10680	67.4
223.13281	16.8
233.11737	100.0
251.12801	96.4
269.13855	86.2
280.00906	2.4
295.05869	10.6
296.06339	10.0
297.07254	2.5
307.06000	5.3
308.06454	7.0
309.07043	2.4
310.07880	3.5
322.07968	3.9
323.05460	2.9
325.07095	6.6
326.07358	9.4
336.05685	3.1
336.09442	3.4
337.06970	4.6
338.07257	7.2
350.07355	5.5
352.08945	3.1
354.06924	3.8
364.08963	2.8
387.14148	2.2
392.08405	5.6
394.09943	3.1
409.08215	2.1
410.09366	2.7
422.09460	5.7
428.10706	5.1
439.09964	2.7
440.10449	8.7
448.12851	3.6
458.11276	6.3
466.16882	2.5
472.13287	2.9
474.10931	3.2
524.13330	5.9
542.13568	7.0
560.14972	4.7
610.23633	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	609.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.6
55.01855	1.5
55.05516	15.6
57.03432	4.4
57.07090	1.6
64.10752	1.0
65.03938	1.9
67.05511	28.1
69.07072	15.8
71.05019	1.8
76.17670	1.2
79.05503	19.0
81.07063	26.5
83.04997	2.6
83.08638	8.1
91.05482	15.0
93.07051	18.2
95.04960	3.0
95.08614	22.7
97.06536	2.8
97.10181	3.5
105.07037	13.9
107.08603	14.9
109.06536	1.2
109.10161	7.8
115.05482	1.4
117.07042	11.2
119.08578	12.7
121.10143	8.4
123.11730	4.5
128.06232	4.6
129.07025	11.7
131.08585	15.2
133.10136	9.6
135.11714	4.2
137.02473	1.3
141.06999	5.5
142.07822	3.6
143.08575	15.8
145.10126	16.3
147.11684	7.4
149.13297	2.0
152.82954	1.1
155.08562	14.7
156.09370	1.8
156.52167	1.1
157.10146	17.8
157.11301	1.5
159.11716	9.6
161.13280	5.0
165.07170	1.0
166.07736	2.3
167.08572	6.8
168.09489	1.3
169.10129	16.7
170.10843	1.2
171.11713	13.7
173.13235	7.4
175.14879	2.1
179.08594	2.4
180.09464	1.5
181.10135	11.0
182.10934	2.1
183.11708	17.2
184.12444	1.7
185.13264	8.9
187.14877	4.6
189.16464	1.0
193.10196	3.0
195.11716	9.5
196.12514	1.4
197.13297	12.1
199.14877	6.3
201.16396	1.9
205.10136	1.3
207.11804	2.9
209.13315	9.8
211.14801	8.8
213.16457	6.2
219.11772	1.9
221.13301	3.9
223.14738	6.5
225.16379	7.3
227.18044	3.2
233.75130	1.2
235.14903	2.6
237.16461	3.6
239.17973	3.1
241.19646	2.5
247.14856	1.2
249.16498	3.3
251.17883	3.6
253.19595	1.8
257.19177	1.7
261.16623	1.4
265.19635	2.0
267.21313	1.4
277.19739	1.4
293.19046	1.2
307.24005	1.3
323.23856	2.3
335.23795	1.3
337.25247	2.1
351.26892	1.6
355.26346	1.2
363.26819	2.5
365.28745	1.5
377.28699	1.5
421.30737	1.7
447.32227	1.8
499.25906	1.3
499.39426	2.7
501.35474	1.5
517.40436	16.8
535.41766	8.8
539.37665	1.8
553.42310	1.3
573.43420	2.5
591.44220	15.9
599.57922	1.1
605.12067	1.2
609.45172	100.0
610.45612	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	609.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01860	2.6
55.05513	18.0
57.03429	3.5
57.07068	2.6
61.06248	0.8
65.03931	1.8
67.05508	34.2
69.07070	15.2
69.16994	8.8
71.04980	1.7
71.08646	1.1
73.70307	0.8
77.03858	0.9
79.05498	25.6
81.07059	28.6
81.51616	0.9
83.04994	1.3
83.08632	8.6
85.06522	1.3
91.05480	23.2
93.07052	24.6
95.04961	2.7
95.08615	25.1
97.06544	4.0
97.10176	3.7
105.07031	22.0
105.07690	1.7
107.04949	1.7
107.08597	14.9
109.06525	1.8
109.10155	10.9
111.08085	1.5
112.80768	0.9
115.05442	1.6
117.07014	13.0
119.08594	19.0
121.10147	9.5
123.08095	1.7
123.11728	2.8
128.06229	3.4
128.07704	0.8
129.06999	11.4
131.08571	17.2
132.80435	0.9
133.10136	14.5
135.11707	5.9
137.13211	1.2
141.07011	5.1
142.07828	1.4
143.08574	12.8
145.10124	18.1
147.11694	8.8
149.09671	2.8
149.13298	3.2
153.06973	1.9
154.07771	1.5
155.08556	11.4
156.09343	2.1
157.10143	15.5
159.11708	13.5
161.13260	3.9
163.11145	1.8
163.14780	0.9
165.07002	1.0
167.08574	5.3
168.09314	1.0
169.10147	12.3
171.11674	12.3
173.13274	7.5
175.14874	2.3
179.08586	2.5
181.10147	6.5
182.10886	1.3
183.11711	13.3
183.44098	0.9
185.13268	10.7
187.14844	3.7
189.16415	1.8
193.10196	2.5
195.11713	7.5
197.13251	10.4
199.14853	6.1
201.16412	2.7
207.11723	3.0
208.12302	0.8
209.13304	8.0
211.14859	7.0
212.24872	0.8
213.16399	3.4
215.17838	1.3
219.11693	1.0
221.13268	3.5
223.14839	4.4
225.16428	3.4
227.18013	2.8
235.14738	2.0
237.16418	3.7
239.17999	3.4
241.19627	1.0
249.16473	1.7
251.18040	2.9
253.19658	1.6
257.19037	2.8
263.18008	1.4
263.31241	0.9
265.19647	1.4
275.20108	6.8
283.20602	1.2
309.22205	1.1
323.23645	1.4
325.25299	1.6
335.26047	0.9
337.25253	1.2
349.25458	1.4
351.26917	3.2
363.26974	1.9
365.28448	2.1
377.28796	0.9
379.30283	1.4
391.29947	1.5
393.31644	1.4
447.32159	1.9
461.34152	1.5
473.31970	1.0
499.39063	2.0
517.40259	10.8
521.36005	1.3
535.41608	6.5
539.37585	1.5
540.37756	1.4
553.41736	1.0
591.43903	7.8
609.45154	100.0
610.45605	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	609.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01883	2.3
55.05517	14.8
57.03442	4.2
57.07087	2.4
59.05022	0.7
59.74203	0.5
65.03944	1.7
67.05512	27.2
67.32745	0.4
69.06727	0.8
69.07077	13.4
71.05000	0.9
71.08630	0.8
79.05498	18.2
81.07066	27.4
83.04987	1.8
83.08627	6.2
85.06555	1.3
87.81811	0.4
91.05487	16.8
93.07052	19.9
95.04996	1.7
95.08617	24.5
97.06553	2.5
97.10176	3.8
99.08108	0.8
103.05497	0.9
105.04546	0.6
105.07043	18.1
107.04943	0.5
107.08607	13.7
109.06544	1.3
109.10170	9.6
109.10909	0.5
111.08134	1.8
111.73444	0.4
115.05490	1.9
116.06249	0.5
117.07027	11.2
118.46474	0.5
119.08601	15.3
121.10152	9.1
123.08096	1.2
123.11736	3.1
125.09644	2.1
128.06248	3.4
129.07022	12.1
130.07829	1.5
131.08580	14.6
133.10138	11.2
135.08040	0.7
135.11700	6.2
137.09694	0.6
137.13289	1.3
141.07001	6.8
142.07773	3.5
143.08583	15.8
144.09364	1.0
145.10138	16.6
147.08095	0.4
147.11696	7.8
147.12798	0.7
149.09656	0.6
149.13251	2.8
151.14882	0.5
153.07016	1.2
154.07809	1.3
155.08572	13.6
156.09364	2.8
157.10138	15.2
159.11714	10.7
161.13287	3.8
163.11237	0.5
163.14824	1.5
165.07077	1.8
166.07846	1.1
167.08585	6.8
168.09399	2.0
169.10139	17.4
170.10899	0.5
171.11713	14.9
171.13147	1.0
173.13260	7.0
175.14867	1.9
178.07950	0.5
179.08546	2.7
180.09369	1.1
181.10139	7.7
182.10939	1.5
183.11710	17.4
184.12538	0.8
185.11636	0.7
185.13277	10.5
187.14844	3.4
189.16472	1.9
192.09364	0.6
193.10114	3.3
194.10915	0.9
195.11714	10.6
196.12454	1.4
197.13278	12.1
199.13213	1.0
199.14868	8.4
201.12730	0.5
201.16457	1.7
203.18042	0.6
205.10170	1.0
206.10907	0.9
207.11671	3.5
208.12488	0.8
209.13287	10.2
209.15001	0.4
210.14029	1.0
211.14851	8.3
213.16489	4.2
215.18115	1.0
217.19672	0.6
219.11667	0.6
221.13254	3.7
222.14178	0.6
223.14850	6.7
225.12863	0.5
225.16420	5.6
227.18079	3.2
229.15927	0.5
229.19533	1.0
233.13327	0.6
235.14856	2.5
237.16388	4.3
239.18019	3.4
241.19623	2.1
245.19116	0.6
247.14899	0.6
249.16411	2.5
251.18045	2.2
253.19537	2.2
255.21082	0.8
257.19089	1.4
259.14786	0.5
259.20663	0.8
261.16513	0.8
261.22372	0.6
263.17969	1.5
265.19565	2.1
267.21017	0.9
275.20111	1.7
277.19464	0.7
279.21185	1.3
283.20639	1.1
285.22440	0.7
291.21097	0.9
295.20636	1.1
295.24094	0.8
297.22214	0.9
305.23257	0.5
307.20630	0.7
307.24304	0.6
309.22299	1.4
311.23749	0.7
313.21649	0.6
315.23373	0.7
321.22287	1.4
323.23749	1.7
324.48904	0.5
325.25238	1.2
327.23126	0.7
335.23706	0.7
337.21838	0.5
337.25421	2.1
339.23236	1.1
339.26935	0.7
341.24860	0.7
347.23618	0.5
349.25186	1.3
351.23132	0.7
351.26974	1.8
353.24609	0.6
353.28424	0.6
355.26358	0.9
363.27148	1.1
365.24438	0.7
365.28473	1.6
367.26343	0.9
369.28024	0.8
371.25705	0.6
375.27097	0.7
377.28494	0.8
379.25977	0.7
379.30139	1.3
381.28021	1.1
391.30167	0.8
393.31815	0.6
395.29510	0.6
397.31152	0.6
405.31717	1.3
407.29312	1.0
409.31125	1.0
421.30856	0.8
423.32715	0.6
429.31503	0.5
431.33344	0.8
433.30432	0.7
435.32413	0.6
437.34460	0.5
441.22504	0.5
447.32578	1.7
449.34250	1.1
459.31314	0.6
461.33981	1.4
465.34109	0.7
473.33005	0.8
483.35251	0.6
499.39310	1.9
515.38312	0.8
517.40497	14.8
517.48096	1.0
533.40436	0.5
535.41656	7.6
539.37323	1.5
540.38135	0.5
541.38654	0.5
553.42365	0.6
555.42365	1.0
573.42944	2.1
591.44153	13.0
592.44775	0.7
609.45197	100.0
610.45715	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.9
52.85947	1.1
53.03949	9.6
55.01877	9.8
55.05516	25.6
55.79877	1.2
57.03437	8.4
57.07079	2.3
59.80110	1.1
61.49284	1.0
65.03943	6.4
67.05510	78.6
69.03427	2.7
69.07073	38.7
71.05000	3.1
77.03922	2.2
79.05499	86.3
81.03423	5.5
81.07063	100.0
83.04973	9.2
83.08625	12.4
85.06549	5.5
91.05488	89.5
93.07053	78.5
95.01350	11.4
95.04976	15.3
95.08614	58.7
97.06535	15.1
97.10176	4.1
99.04478	2.7
100.22098	1.3
103.05470	2.6
105.04530	4.5
105.07037	87.1
107.04958	17.6
107.08604	41.1
109.06540	10.9
109.10165	15.8
111.08096	3.9
113.09684	1.2
115.05484	3.3
115.07889	1.3
117.07030	24.6
119.08591	52.3
121.06528	4.6
121.10148	29.9
123.04486	2.1
123.08088	5.0
123.11731	4.6
125.09617	3.0
129.07008	6.4
131.08574	37.4
131.09520	2.1
133.06490	1.6
133.10139	52.4
135.08069	5.6
135.11714	16.8
137.09637	5.2
141.07022	1.4
143.08580	5.2
145.10135	26.3
147.08073	1.5
147.11699	20.3
149.09639	6.9
149.13260	6.8
151.11192	3.0
153.12691	1.5
155.07310	1.3
155.08549	2.8
157.10121	5.1
159.11705	18.4
161.09641	1.6
161.13280	7.9
163.11217	3.9
163.14821	1.4
165.09091	1.9
165.12782	1.3
169.10165	3.1
171.11720	3.7
173.13304	6.9
175.14845	3.2
177.12790	4.3
179.14342	17.7
183.11787	3.6
185.13263	4.4
187.11206	3.6
187.14885	2.5
189.12701	2.1
191.14349	1.2
195.13820	1.5
197.13324	3.1
199.14784	1.4
201.12891	1.2
201.16432	4.2
203.14392	3.9
205.12311	1.2
209.15536	1.4
211.14859	1.8
219.17453	73.7
220.96144	1.2
229.19511	2.4
239.18044	4.0
243.21068	1.4
247.20627	2.9
257.19049	9.4
261.22260	1.8
275.20078	96.0
293.21085	6.2
313.21750	1.5
335.25824	2.5
349.23779	3.5
427.07965	1.2
466.31732	1.2
609.45258	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	3.3
52.19336	2.0
53.03948	18.1
55.01873	8.1
55.05513	36.2
57.03440	15.7
61.02921	6.0
65.03938	5.3
67.05507	64.2
69.03433	24.4
69.07071	16.8
70.19901	2.5
70.20257	8.6
71.01344	4.9
71.05006	10.3
73.02915	3.3
78.37698	2.2
79.05495	61.3
81.03420	100.0
81.07060	54.1
83.04978	24.0
83.08622	21.1
85.02911	26.0
85.06567	5.3
91.03947	2.3
91.05484	53.7
93.07050	50.8
94.13612	2.2
95.04970	28.3
95.08616	19.4
97.02896	22.2
97.06546	12.2
97.10181	19.7
99.04468	7.0
105.07029	26.9
107.04979	12.8
107.08601	35.7
109.02875	22.9
109.06536	10.6
109.10159	13.9
111.04445	13.8
111.08098	7.5
115.05455	2.1
117.07005	11.6
119.08575	24.5
121.06498	11.8
121.10143	16.7
123.04436	3.4
123.08089	3.3
123.11756	3.9
123.98814	2.1
125.09652	8.8
127.03927	15.9
128.06216	2.5
129.05484	2.5
129.06995	13.1
131.08568	13.4
133.06577	4.7
133.10120	16.6
135.08086	6.3
135.11690	35.7
137.09630	4.3
141.07005	4.1
142.07890	2.7
143.08578	5.6
145.06520	8.9
145.10156	13.1
147.08047	5.2
147.11707	16.0
149.09644	7.1
151.03958	2.9
153.12755	3.1
155.08540	2.8
157.10083	10.4
159.08041	4.4
159.11751	4.0
161.09625	3.0
163.11205	14.7
165.12833	4.1
169.10141	2.9
171.08112	2.1
173.04541	2.4
173.09715	4.5
175.11214	11.6
181.12241	15.8
185.13327	4.7
189.11209	3.7
191.10712	4.9
193.12239	32.8
203.14383	4.1
211.13295	52.6
213.12708	2.6
221.15451	3.5
227.12886	9.3
237.12737	2.3
255.15948	13.9
267.15961	8.0
273.14743	2.8
275.67972	2.1
283.15482	3.9
301.14185	2.5
325.16571	4.8
327.23029	2.4
337.16479	3.9
337.21805	5.3
355.17645	8.7
355.22778	10.1
363.18076	2.8
373.23904	6.1
381.19080	2.8
403.24927	2.7
411.20377	5.1
421.25909	2.9
429.26303	12.4
445.40146	2.2
447.27432	50.2
447.33133	4.0
465.28552	15.7
481.27869	2.2
489.28387	2.5
537.28467	3.8
555.29541	3.7
591.31799	6.5
609.32788	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2759
Annotation	Confertoside
Peak:m/z	Relative Intensity
53.03944	5.8
55.01880	4.2
55.05508	8.0
57.03439	20.4
61.02931	77.3
67.05231	2.0
67.05515	24.4
69.03435	36.9
69.07072	11.8
70.06602	2.9
71.01349	3.1
71.04984	9.5
71.55119	2.5
73.02922	31.1
79.05508	14.2
81.03426	28.4
81.07062	68.9
83.01343	2.5
83.04975	7.5
83.08627	7.0
85.02909	100.0
85.06521	4.8
87.04462	2.1
91.03963	55.9
91.05476	25.5
93.07054	10.6
95.04974	5.2
95.08603	11.8
97.02287	4.7
97.02893	66.6
97.06522	6.9
99.04469	14.3
101.00919	3.1
101.02367	7.4
103.03943	7.0
105.07043	35.6
107.04965	3.0
107.08599	10.0
109.02898	18.3
109.06510	5.9
109.10164	2.8
115.03914	7.1
117.05506	3.8
119.01897	4.0
119.08572	31.9
121.10141	21.2
123.08043	4.8
123.11700	28.7
127.03923	36.5
127.07620	2.6
129.05466	6.5
131.08524	2.9
133.10118	4.6
137.05959	2.3
137.09602	2.3
137.13263	4.3
139.03848	2.4
145.04951	20.3
147.04329	2.2
147.11694	81.8
149.13284	2.7
151.03874	3.3
155.03560	2.2
159.06584	2.6
163.06024	6.8
165.12776	46.1
171.06487	3.3
183.06526	18.4
183.13739	12.6
193.12245	7.5
201.07562	7.6
201.16428	2.1
204.56445	2.1
211.13208	3.0
228.45134	2.5
229.14351	38.1
265.94449	2.6
267.15939	58.2
285.16971	93.7
287.05646	4.3
309.16919	8.4
313.16525	7.6
327.17969	7.1
337.15900	2.0
339.18024	2.6
355.17007	4.1
393.18927	9.0
411.20218	18.9
429.21201	26.6
447.22168	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	609.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09385	0.8
53.03935	1.5
53.64542	0.8
53.90216	0.8
55.01866	1.6
57.03446	1.3
61.02940	1.0
67.05488	1.1
68.01254	0.8
69.03426	4.6
69.07061	1.2
70.06607	1.2
71.14696	1.8
79.05511	1.1
81.03410	3.0
81.07077	1.6
84.08165	5.1
85.02911	10.9
87.00832	4.3
91.05471	2.6
93.07041	1.1
95.08602	1.4
97.02899	4.6
99.04457	1.5
105.01858	2.9
106.70958	0.7
107.04966	1.7
109.02877	2.7
115.03925	2.0
115.05476	1.6
116.78579	0.9
121.02840	1.1
124.07606	1.9
127.03941	5.5
128.06212	1.7
129.07019	5.9
130.08650	0.7
131.04924	2.0
131.08566	7.6
136.07582	11.6
137.05983	4.8
141.07005	4.7
143.08591	1.4
145.05008	1.4
145.06442	1.0
151.07535	1.6
152.07117	2.0
157.06508	5.9
158.07285	2.9
159.08080	5.6
161.04431	1.0
164.07071	13.9
167.07051	2.4
169.06480	2.8
171.08040	2.4
174.06784	12.3
175.07603	5.0
181.04939	3.4
182.08133	2.9
186.06776	3.4
189.09125	24.4
191.10686	2.6
201.09152	10.4
203.10622	7.9
219.10179	100.0
220.10617	1.6
221.11868	1.3
247.04416	1.2
270.14395	1.1
272.41812	0.8
285.07703	1.0
287.13889	4.3
295.05923	1.4
305.14966	5.3
309.07678	1.4
312.07123	0.9
415.13556	0.9
447.12787	3.1
491.27563	1.0
541.13519	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1823
Annotation	5,7-Dihydroxy-3,6-dimethoxyflavone 5-alpha-L-arabinosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
55.05507	0.2
57.03441	0.7
65.84126	0.2
67.05506	0.4
68.99815	0.3
69.03444	1.6
69.07084	0.6
70.89917	0.4
73.02866	0.3
81.03416	0.4
81.07063	0.9
83.05002	0.2
83.08600	0.3
85.02917	1.0
87.04469	0.9
91.05494	0.4
93.07053	0.6
95.08611	0.6
97.02913	0.9
105.07039	0.4
107.08634	0.3
109.10188	0.5
113.24080	0.2
115.03935	1.0
119.08596	0.3
121.10158	0.5
125.43671	0.3
127.03939	0.5
131.08571	0.2
132.05714	1.2
133.04979	0.9
133.06483	0.4
133.10118	0.4
135.11768	0.3
139.03873	0.4
140.01155	0.3
145.02898	0.3
145.04901	0.3
147.04407	1.2
151.03915	0.2
159.04387	0.3
163.03986	0.2
163.14896	0.2
168.00562	1.6
169.14702	0.2
177.05464	0.3
179.03455	0.5
186.01643	0.7
190.13513	0.2
229.04958	0.7
241.04892	0.4
243.06555	0.2
245.04668	0.2
254.05724	0.6
257.04501	1.4
269.04459	0.4
269.08185	0.5
270.05112	0.3
271.06036	0.8
272.06683	1.1
282.05490	0.3
283.06143	0.2
285.03976	4.7
299.05533	5.2
300.06305	48.3
301.06604	0.7
302.04123	0.3
307.26352	0.5
315.08633	100.0
316.08997	1.1
477.13751	0.9
492.44141	0.3
609.22302	0.8
609.30090	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1815
Annotation	Physcion 8-gentiobioside
Peak:m/z	Relative Intensity
53.03931	0.2
55.01874	0.3
56.96553	0.4
57.03418	0.3
61.02906	0.5
68.99805	0.3
69.03436	1.5
69.85680	0.6
69.86100	0.4
70.06583	0.3
71.01337	0.2
73.02919	0.4
81.03416	0.6
84.04494	0.2
85.02911	3.2
86.06050	0.5
86.09715	0.8
87.04455	0.2
87.06365	0.1
91.03958	0.2
96.04500	0.3
96.37261	0.2
97.02893	1.1
98.97594	0.3
99.04418	0.2
109.02853	0.5
111.00810	0.2
111.42917	0.2
114.05522	0.6
117.03358	0.2
121.02843	0.2
123.04456	0.8
127.03919	2.3
134.03664	1.6
137.02351	4.3
139.03909	2.1
141.06995	0.4
145.02864	0.2
145.04919	0.3
146.01073	0.2
147.04424	0.3
149.05980	0.3
151.03922	1.5
155.03384	0.3
155.04674	0.2
163.03952	0.4
169.06454	0.3
175.03889	0.3
177.05516	0.8
179.03426	1.4
185.05998	0.4
187.03900	0.2
191.03416	0.2
197.05989	1.3
201.05559	0.2
203.03513	0.3
203.05249	0.4
205.04892	0.3
213.05487	2.1
214.06242	2.2
225.05482	5.3
229.08575	1.1
237.05539	0.2
241.04984	0.3
242.05803	0.6
245.04539	0.8
245.14944	0.3
245.18723	0.4
253.04985	8.3
257.04477	0.3
263.03021	0.2
263.05310	0.9
267.06564	0.3
269.04453	1.8
270.05243	14.8
271.05692	0.3
275.05624	0.3
283.06094	0.3
283.12231	0.2
285.07590	100.0
286.08002	1.2
287.05588	1.4
299.05441	0.2
303.05066	0.6
305.06747	0.2
307.12396	0.2
317.06549	0.2
346.09753	0.2
423.07004	0.7
441.08179	0.3
445.17828	0.2
447.12631	1.5
477.26187	0.2
609.21826	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	609.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.2
57.03438	5.5
68.93560	2.5
69.32628	14.1
69.33051	10.8
71.04994	3.5
77.92297	2.7
85.02907	7.6
100.12829	2.9
103.03972	3.9
109.02904	3.8
119.04958	11.4
121.02869	31.8
179.03418	4.1
189.01813	14.5
191.03383	4.7
192.77391	3.5
195.02873	8.0
203.03384	11.3
207.02888	7.7
217.05013	5.3
219.02890	5.5
221.04434	3.5
227.37535	3.4
235.02278	3.2
245.04498	4.1
267.06509	4.0
268.07300	7.5
279.06549	3.6
283.06082	20.9
284.06854	9.5
293.08157	5.8
294.05289	12.9
295.06030	96.6
296.06561	9.4
297.07541	12.7
307.06055	64.4
308.06842	17.7
309.03876	10.8
309.07562	22.9
311.05527	36.4
313.06946	11.2
319.06097	10.5
320.06873	8.3
321.07663	35.5
322.08295	9.4
323.05786	5.3
323.09195	9.0
325.07062	95.7
332.06577	3.4
333.07504	10.9
335.05298	9.4
335.09216	24.1
336.06207	8.6
337.07114	56.9
339.05164	4.9
339.08789	6.9
341.06628	34.4
347.09109	12.4
349.07126	42.4
350.07666	3.1
351.08691	19.8
353.06522	13.0
355.07959	3.7
357.07547	3.6
361.07025	13.0
363.08670	16.0
365.06348	19.7
365.10614	14.7
367.08121	9.4
373.07043	7.3
375.04556	3.4
375.08569	17.8
377.06445	14.1
379.08142	23.4
385.06848	4.0
389.06219	4.5
389.10580	5.0
391.08093	35.4
393.09619	24.9
395.07672	7.9
397.09262	4.7
403.08115	9.9
405.09476	4.8
407.07602	9.6
409.09283	26.6
417.09668	6.0
421.09238	62.1
425.08765	13.4
427.10461	21.7
433.09387	3.6
435.10831	4.4
439.10300	100.0
443.09802	27.8
445.09293	8.1
447.10724	3.6
447.16330	5.1
453.11600	4.1
455.09708	3.8
457.11453	30.3
461.10745	51.7
463.10391	8.3
475.10242	4.7
477.11661	3.7
481.11456	15.6
487.09995	3.3
493.11200	12.3
505.11340	21.3
511.12036	4.6
513.13885	4.5
523.12378	54.3
537.13568	3.7
541.13452	71.3
555.14905	9.2
559.14514	44.3
577.15692	4.4
609.21240	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	609.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83563	2.7
54.78573	3.6
57.03433	7.4
64.77459	3.2
70.87424	3.3
70.87755	6.4
84.08144	13.2
84.71001	3.1
85.02905	14.0
91.05492	3.6
98.20767	3.2
107.04963	3.7
116.64913	3.1
119.04928	7.4
121.02875	35.0
145.02835	3.2
146.05438	2.8
150.03180	3.0
151.03894	4.7
172.81978	3.1
177.01758	3.6
177.05450	3.5
179.03392	7.0
189.01840	10.8
191.03366	3.9
195.02917	5.9
200.71048	3.1
203.03508	14.2
207.02899	9.0
217.04993	5.8
219.10115	11.5
221.04442	4.2
225.05727	3.4
229.05029	4.1
231.03029	4.5
245.04665	4.5
255.02798	3.4
257.04364	3.2
268.07263	8.3
279.06552	7.7
283.05978	9.7
294.05188	10.3
295.06042	96.8
296.06744	7.8
297.07544	9.9
301.07129	10.6
307.06046	49.5
308.06848	17.7
309.07608	24.4
313.07037	8.8
319.06046	8.7
320.06860	8.6
321.07626	26.8
322.08234	4.2
323.05582	5.7
323.09103	5.2
325.07089	100.0
333.07455	7.5
335.05429	9.4
335.09149	17.4
336.06232	5.8
337.07086	56.2
339.08566	11.3
345.07617	5.1
346.08063	3.6
347.05206	4.9
347.09119	8.8
349.07117	37.6
351.08896	16.6
353.06580	12.9
355.08148	7.2
361.07022	11.3
363.08676	20.5
365.06436	12.7
365.10251	7.1
367.08167	6.2
375.08603	11.1
377.06332	9.5
379.08118	23.0
383.07532	4.4
391.08023	27.4
393.09729	22.0
403.08063	18.6
405.09549	4.4
409.09003	15.6
421.09189	39.6
423.11118	5.9
427.10544	19.9
435.10715	7.4
439.04510	5.5
439.10254	68.3
441.11902	6.3
447.12418	6.2
447.34430	3.9
453.11856	13.2
455.09650	13.5
457.11298	23.9
459.12222	4.0
461.10196	3.6
471.12741	13.6
473.10806	16.7
475.11688	8.5
481.11166	5.9
485.10806	11.2
491.11591	6.4
495.12918	7.6
505.11008	5.6
513.13910	6.1
515.11444	3.6
523.12604	28.2
529.13232	5.4
537.13434	5.7
541.13477	47.4
555.15070	6.7
559.14801	24.5
573.15839	11.1
591.17432	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	609.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47039	1.7
54.99848	1.8
55.01882	2.3
57.03421	2.8
59.13404	1.9
69.28701	14.5
74.36431	1.9
85.02901	7.9
91.05493	2.6
97.81861	1.9
109.02892	3.0
119.04941	5.6
121.02878	24.6
125.65016	2.0
165.01788	2.4
175.03908	2.7
177.01814	5.2
179.03447	2.8
181.57074	1.9
187.24472	2.0
189.01817	9.8
191.03369	4.6
195.02917	4.4
203.03419	11.5
207.02878	5.3
215.03398	2.2
217.05019	5.1
223.02303	1.9
227.03334	2.6
229.04971	3.4
231.02895	3.0
255.02724	2.5
257.04532	2.5
267.06589	2.7
268.07312	3.9
279.06656	4.5
281.08145	3.3
283.06012	21.7
284.06766	2.8
285.03876	2.3
293.07999	3.2
294.05307	10.9
295.06039	100.0
296.06781	6.9
297.07602	16.3
307.02621	4.1
307.06030	59.4
307.09598	4.2
308.06689	13.8
309.04141	3.3
309.07513	21.1
311.05304	2.6
312.06125	3.6
313.07056	4.9
319.06082	6.2
320.06717	6.0
321.07608	36.5
322.08386	8.2
323.05463	6.4
323.08960	4.1
325.07092	69.1
326.07712	2.4
333.07559	7.9
335.05438	7.8
335.09125	21.6
336.06277	5.3
336.09842	2.5
337.07074	36.1
339.08826	2.7
345.07578	5.2
346.08136	4.2
347.05399	3.6
347.09094	10.8
349.07098	28.0
350.07785	5.5
351.08673	11.6
353.06577	9.4
355.08240	2.6
359.09247	2.3
360.06076	5.0
361.07062	16.6
363.08600	18.5
365.06311	4.3
365.10358	4.6
367.07971	5.1
369.83994	2.1
373.07101	11.2
375.08701	8.8
377.06497	10.9
378.07336	2.9
379.08142	22.0
385.06946	4.5
387.08682	3.3
389.06192	2.9
391.08112	49.2
393.09595	8.3
395.07843	2.8
397.09012	2.0
403.08020	17.1
407.07495	3.2
409.09219	54.3
417.09772	2.5
419.07465	3.1
421.09152	15.0
427.10388	17.3
431.11932	2.5
435.10864	3.2
437.08868	5.0
439.10239	25.5
445.08990	6.1
455.09756	4.2
457.11371	39.0
459.10678	2.5
463.10413	12.2
475.10138	7.2
477.12152	2.5
481.11377	51.4
482.11652	2.5
487.10251	6.6
489.13788	8.1
493.11301	44.4
495.12509	2.6
505.11429	21.5
511.12390	19.4
513.13843	3.9
523.12439	31.5
541.13422	47.7
559.14514	35.4
563.38116	2.0
573.15765	3.8
591.15967	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1608
Annotation	Vitexin 2''-O-(E)-ferulate
Peak:m/z	Relative Intensity
55.01864	0.6
59.16330	0.5
63.02373	1.4
67.05495	0.7
69.03426	2.0
71.56102	1.0
79.01864	0.7
81.03401	0.8
81.07058	2.0
85.02898	1.8
89.03925	16.4
91.05486	2.0
93.07044	1.8
95.04951	0.7
95.08591	1.1
97.02923	0.8
103.05479	0.7
105.07061	0.6
106.04178	1.2
107.04965	0.6
107.08595	0.9
109.02880	0.7
109.10162	1.3
109.64703	0.6
117.03391	38.7
119.04932	1.9
119.08608	0.5
121.02878	7.2
121.10136	1.1
123.04436	1.1
123.11670	0.6
127.03901	1.1
131.04930	0.6
133.10114	0.7
134.03664	2.5
135.04422	1.1
137.06000	1.0
145.02863	85.8
146.03241	0.8
147.04454	1.5
147.11679	0.6
148.05222	1.2
149.02299	0.8
149.05994	10.9
151.03975	0.8
153.01894	0.6
163.03947	2.5
165.01877	1.8
175.07507	0.6
177.05486	100.0
178.05846	0.9
179.03409	0.6
185.23189	0.6
186.05557	1.8
187.03940	0.9
195.02835	0.6
201.05510	0.9
205.04979	0.7
213.05499	1.8
217.05038	1.2
219.06575	1.8
243.02950	0.9
243.06593	1.2
255.06551	2.1
256.07318	2.6
259.06049	1.0
267.06592	0.9
271.06049	12.0
271.08850	1.0
279.06619	0.5
283.06042	30.7
284.06793	12.7
285.07510	2.1
285.10358	0.5
295.06046	15.9
295.09396	0.8
297.04266	0.8
297.07535	5.8
299.05533	1.4
300.06448	1.0
307.06073	1.3
308.06934	0.9
309.07660	2.1
311.05591	2.2
313.07080	40.8
314.07553	0.8
315.08621	10.5
323.05478	1.5
323.09192	5.7
324.06235	0.8
325.06973	2.4
327.08655	1.8
335.05585	0.5
337.07095	7.3
339.10858	1.6
343.08139	1.6
349.06992	0.9
351.08768	2.3
355.08224	1.4
367.08234	3.6
379.08148	3.5
397.09225	6.2
415.10309	15.2
428.09064	1.0
433.11392	12.0
433.17081	1.0
443.11496	0.9
471.10629	1.0
477.14120	0.7
489.11942	8.1
568.16626	0.5
577.46332	0.5
591.14966	2.4
609.16028	74.0
610.16547	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25234	0.8
55.01861	2.4
55.05517	2.4
57.03234	0.7
57.03445	8.3
58.06600	1.5
61.02929	1.7
67.34074	0.9
68.05034	27.3
69.03436	4.2
70.06586	3.1
70.13388	3.3
72.08163	16.4
73.02926	12.3
77.60844	1.0
81.03380	0.9
84.04510	1.5
84.08152	1.0
85.02920	5.2
86.06074	100.0
86.09702	8.5
89.29657	0.8
96.04498	1.6
97.02899	4.0
98.97587	1.1
100.07623	2.4
104.78165	0.8
114.05539	4.5
114.09187	4.7
115.03941	3.3
123.04448	2.2
127.03931	2.9
128.07088	10.7
132.10225	1.4
133.05011	2.8
139.03941	4.2
147.04420	1.4
151.03923	0.9
177.05508	2.2
179.03384	1.4
181.13327	2.0
182.08162	0.9
185.12872	10.9
186.11256	1.7
191.03381	0.8
199.14394	4.7
200.09193	1.0
213.12395	4.4
218.10365	1.0
227.13969	3.4
229.01207	0.8
241.15491	1.1
245.14986	73.6
263.05576	1.2
285.07690	1.4
287.05536	1.5
287.16043	6.3
341.16995	2.4
344.21823	17.4
345.16528	6.1
377.14340	1.4
377.19214	38.7
386.22977	6.6
476.26083	68.0
477.26483	1.2
494.14478	0.9
509.23618	7.4
518.27179	7.9
574.36981	0.8
592.03058	1.1
608.21210	1.4
608.30042	7.4
638.52466	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.5
55.01873	5.0
55.05269	1.4
55.05518	23.6
57.03443	7.4
57.07069	1.2
65.03934	2.5
67.05510	61.3
69.03437	15.9
69.07071	19.6
71.01368	1.4
71.05003	7.1
73.02932	2.4
75.39767	1.2
77.03947	2.3
79.05501	45.6
81.03426	70.1
81.07063	86.5
83.04989	15.2
83.08621	13.4
85.02898	6.7
85.06553	4.2
91.04916	1.6
91.05035	0.9
91.05489	35.6
93.07055	55.6
95.04968	10.6
95.08611	23.1
97.02895	11.6
97.06540	11.4
97.10193	2.4
99.04477	4.9
99.08114	2.9
105.04537	1.8
105.07041	19.4
106.81953	1.1
107.04987	4.6
107.08606	28.3
109.02881	11.0
109.06522	4.6
109.10166	4.3
111.04470	9.0
111.08108	5.9
113.06028	1.1
115.05476	1.3
117.07027	13.8
119.08601	11.9
121.06527	4.5
121.10155	17.9
123.08043	2.1
123.11722	6.4
127.03934	8.4
128.06223	1.6
129.07021	4.5
131.04988	1.4
131.08577	16.6
133.06506	3.6
133.10124	14.8
135.08075	3.1
135.11696	9.0
136.06223	1.9
137.09724	1.2
137.13377	1.3
141.07016	1.9
142.07788	1.5
143.08585	4.0
145.06520	3.1
145.10150	4.6
147.11711	12.3
149.09644	2.2
149.13272	22.6
155.08601	1.9
157.10170	4.3
159.11708	13.1
161.13187	1.7
165.12773	5.2
169.10210	1.3
171.11716	2.0
173.04529	2.5
173.13344	1.8
175.11298	1.5
177.12798	5.6
183.06532	1.6
183.11702	1.5
187.11372	1.3
187.14810	1.4
193.12222	1.6
195.11906	1.8
195.13817	16.1
201.12656	1.6
207.11824	1.6
213.14897	3.3
219.13882	1.5
229.14453	2.2
233.15318	1.4
253.18166	2.0
257.15634	1.3
261.15030	1.6
267.15945	6.6
269.17551	10.2
275.16473	2.2
285.17139	1.5
293.17374	1.4
297.17068	1.5
303.15906	2.0
321.16940	6.5
329.93887	1.2
339.18094	11.0
340.74423	1.2
353.24478	1.5
371.26050	1.3
377.19724	3.1
395.20734	12.1
445.29419	5.6
463.30463	11.2
487.30072	1.3
533.31036	1.5
571.32458	2.3
589.33820	3.8
607.34839	100.0
608.34601	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	607.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58606	0.3
58.40046	0.3
63.80879	0.3
70.12421	1.8
73.82972	0.4
75.54382	0.4
91.67326	0.4
160.45029	0.4
178.80560	0.4
389.17538	0.8
401.17993	0.6
402.18451	0.8
403.19244	3.5
405.20844	1.3
416.20352	0.7
417.21347	3.9
418.21973	1.8
419.22290	3.4
429.21548	0.5
430.17026	0.6
430.22165	0.9
431.18188	7.7
432.18979	1.1
432.23956	0.7
433.24081	9.4
434.24786	0.7
444.19177	0.5
445.19760	9.3
446.20667	3.8
447.21738	3.5
459.21509	4.8
460.22531	12.3
461.23422	12.9
473.23798	2.6
474.24176	1.2
487.24930	1.8
489.22910	0.7
491.24530	0.5
505.21500	2.1
519.27118	1.9
532.24420	0.9
547.27069	43.4
548.27588	1.4
575.26685	1.4
579.29572	1.2
607.29156	100.0
608.29767	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	607.2557
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
59.42131	0.3
66.97984	0.3
67.05510	1.0
69.03441	0.3
79.05493	0.5
81.07067	0.8
90.66618	0.3
91.05489	0.7
95.04989	0.4
95.08603	0.5
98.20708	0.5
102.00348	0.3
106.06564	0.3
107.08601	0.4
109.10167	0.4
119.08566	0.5
133.64970	0.3
135.16446	0.3
162.00946	0.3
209.10918	0.3
223.12325	0.3
223.46886	0.3
227.21400	0.3
229.54501	0.3
250.11092	0.3
273.18457	0.4
373.14648	0.3
375.16302	0.9
377.17896	0.3
387.16373	0.6
388.16992	0.9
389.17664	2.7
390.18491	1.0
391.19293	1.2
401.17834	0.7
402.18860	0.9
403.14853	0.6
403.19617	4.1
404.20218	1.9
405.20801	3.3
415.19882	0.4
416.16327	1.0
417.16312	4.3
417.21179	1.9
418.17764	0.9
418.22263	0.6
419.17703	0.4
419.22513	6.2
420.23212	0.9
430.18066	1.0
431.18323	7.6
432.19025	2.6
433.20181	3.6
435.21973	0.4
444.19727	0.6
445.20258	4.9
446.21072	7.6
447.21805	7.6
447.27628	0.3
457.20328	0.3
459.17377	0.7
459.22098	1.4
460.23199	0.5
461.19717	2.3
462.24176	0.7
463.20496	0.5
463.25809	0.5
473.19006	0.4
473.24118	0.8
474.20383	4.9
475.21094	4.6
476.22299	0.3
477.22974	1.1
478.23547	0.7
487.21634	1.6
488.22324	0.3
491.20120	2.9
501.22934	1.3
504.21451	0.5
505.22299	0.7
506.23257	0.4
519.24139	15.9
529.21948	0.3
532.21057	0.5
547.23444	11.7
548.23486	0.4
551.27100	0.6
561.24750	0.3
579.25989	6.3
579.34540	0.6
607.25562	100.0
608.25555	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	607.2912
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
54.64783	0.6
71.25889	1.2
76.75446	0.7
83.29996	0.5
84.90371	0.6
150.30809	0.6
232.06296	0.7
233.70313	0.6
389.17609	1.8
401.17694	1.0
402.18481	0.9
403.19180	3.9
404.20096	1.4
405.20886	1.9
415.19568	1.2
416.20343	1.5
417.16785	2.0
417.21695	4.0
418.21835	3.1
419.22290	4.5
431.18222	11.2
432.19049	1.5
433.24078	10.9
434.24780	1.3
445.19910	10.0
446.20880	5.6
447.21741	5.6
459.21576	5.9
460.22592	15.2
461.23389	15.7
473.23743	3.7
474.23798	1.3
477.22803	1.3
487.25018	1.8
491.24823	1.4
492.25247	0.8
505.21707	3.6
506.26581	1.1
519.23828	1.9
532.24860	1.3
533.25427	0.8
547.27100	36.0
548.27161	1.1
575.26984	0.9
579.29504	0.9
607.29175	100.0
608.29749	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	607.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.6
55.01874	2.2
55.05507	2.6
57.03439	2.3
61.02924	2.7
65.03934	1.9
69.03439	9.2
69.07062	2.1
69.68916	1.5
70.06582	1.5
71.04990	4.2
71.55934	2.3
73.23585	1.5
79.05517	1.3
81.03424	10.3
81.07050	4.8
83.51930	1.8
83.69131	1.6
85.02918	18.5
86.09727	2.1
87.00843	7.6
87.14541	1.4
91.05483	5.6
91.76630	1.5
93.07041	3.3
94.04193	2.6
95.04972	2.1
95.08612	4.2
97.02898	16.4
97.10188	3.3
99.04449	3.3
100.31136	1.8
103.05480	2.7
105.01873	4.8
105.07040	2.6
107.04987	2.4
107.08616	1.7
109.02898	7.1
109.06503	3.2
115.03955	9.6
115.05408	2.7
119.04956	4.3
121.10165	2.5
122.03734	7.4
125.02336	2.5
127.03921	9.9
128.06223	1.6
129.07019	3.8
130.06514	2.3
131.04939	4.7
133.10138	2.2
137.05997	100.0
138.69839	1.6
143.04922	4.2
145.05025	3.7
147.04416	5.9
149.05981	2.3
151.07562	6.7
157.06535	5.1
159.02921	2.5
160.05214	7.3
161.04437	4.2
161.05931	2.2
163.04030	2.5
163.07480	8.7
174.06763	1.7
175.07570	44.6
177.05496	2.7
178.52164	1.6
187.07597	18.6
189.09082	8.5
193.06560	1.5
201.03897	2.3
201.09203	3.3
205.08620	8.0
211.07539	2.3
219.10181	7.8
227.07022	2.1
229.01361	2.0
231.08176	2.3
235.09711	6.2
239.07127	1.8
240.07841	1.9
247.04468	2.0
255.06447	3.3
270.08917	4.7
271.09744	4.4
276.07748	2.0
283.05988	1.9
291.10223	6.4
298.04660	3.0
309.07657	4.3
313.07092	28.9
316.14542	2.1
323.12848	7.7
325.10483	4.1
325.14331	6.4
335.13181	1.6
341.13852	8.6
365.06671	2.3
395.28183	3.2
407.07767	2.1
467.09451	2.4
607.20941	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	605.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32380	1.0
56.96569	62.5
65.72865	1.2
69.78130	6.0
71.95267	1.9
74.97618	8.3
76.77625	1.3
84.96036	21.9
86.43159	1.0
86.97597	3.1
91.05478	6.0
98.97589	100.0
102.97059	3.4
108.47794	1.0
110.97591	6.8
114.97075	5.0
116.98627	37.4
119.04951	12.3
124.99124	5.5
128.98616	8.5
132.98102	11.0
134.99672	10.5
140.00139	2.3
140.98521	1.1
141.70869	1.1
142.85054	1.1
143.00172	22.0
144.98061	1.9
146.99628	3.7
147.04416	47.2
150.99142	15.8
156.98219	1.9
158.99670	37.6
161.01228	12.8
162.99219	1.5
168.98143	1.2
169.00258	3.2
174.99174	6.4
177.00720	24.6
185.01256	7.2
186.01599	1.2
186.99199	2.6
190.98653	1.7
191.00183	1.3
193.00160	9.6
195.03346	2.6
202.98473	1.9
203.00261	3.6
203.02184	2.4
205.00089	2.2
205.01784	3.3
206.98108	5.2
209.01242	2.0
211.02957	2.5
213.04366	2.6
220.99551	2.9
221.01331	13.8
223.02896	3.1
224.99120	1.1
235.02808	2.5
239.02342	58.1
245.01239	4.4
248.99164	11.0
253.03943	6.3
257.03360	31.9
262.03922	1.7
263.02475	6.2
267.00235	38.1
271.02594	1.4
277.04007	2.1
279.01694	1.5
281.03461	10.6
285.01321	11.8
289.03790	3.2
291.00293	6.1
297.02930	1.6
299.04504	1.4
303.01184	1.1
307.05014	1.6
309.01242	10.1
310.59494	1.2
321.02563	2.0
332.02957	1.2
335.02908	1.8
349.02234	2.6
367.03427	3.9
377.01578	5.2
395.02811	28.2
404.99750	2.2
413.03912	30.8
423.00836	76.1
431.04898	2.0
437.03955	1.7
441.01913	33.2
455.04553	3.0
464.03467	1.1
569.04541	36.3
587.05432	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	17.3
55.01873	14.8
55.05520	39.5
56.34531	6.7
56.96552	9.2
57.03443	13.3
60.47369	5.9
63.28295	6.0
67.05512	82.9
69.03433	24.1
69.07063	31.9
71.05017	6.9
71.54755	9.6
79.05497	71.5
81.03423	76.8
81.07064	100.0
83.04980	14.8
83.08612	28.4
85.02897	23.8
91.05493	82.8
91.06036	11.2
93.07051	56.1
95.04994	62.5
95.08607	46.5
97.02890	17.7
97.06530	12.9
97.10173	10.4
105.07029	51.0
105.33498	5.9
107.04942	26.6
107.08611	37.3
109.02872	20.8
109.06533	14.7
109.10146	20.2
111.04474	9.0
111.08076	9.7
115.05415	11.8
117.07018	33.7
119.08572	36.0
121.06474	19.0
121.10158	23.6
123.04440	19.5
123.08067	7.7
123.11710	10.5
125.09621	12.8
128.06245	9.0
129.07047	29.8
131.04897	14.6
131.08585	33.1
133.06483	14.8
133.10143	25.5
135.08154	8.3
135.11676	9.4
138.36588	5.9
141.06973	8.5
143.08559	13.2
145.06509	18.2
145.10126	19.1
147.04385	12.0
147.08052	8.2
147.11676	19.4
149.06024	14.4
149.09651	8.4
149.13235	12.4
157.10146	11.2
159.08051	10.3
159.11684	16.3
161.05956	17.4
163.11153	15.2
165.12799	7.3
167.07146	8.4
167.08528	9.4
169.10162	9.2
171.08084	15.1
171.11708	10.3
173.09662	9.4
175.11176	12.8
177.12741	8.0
183.08154	8.4
183.11702	9.5
189.05432	7.4
189.12762	7.5
191.07179	8.2
193.12178	14.6
195.13789	17.9
199.11256	7.2
205.12186	8.4
211.13297	6.3
223.13211	6.7
227.12711	6.1
235.13303	7.3
259.13187	6.9
267.16022	16.7
269.17505	18.8
273.14905	36.7
289.14609	6.9
301.14261	35.2
318.49435	6.1
319.15430	15.3
325.18106	8.9
333.17477	9.7
351.62048	7.3
375.18185	15.4
551.29895	16.3
557.30829	10.8
569.31561	35.0
587.32434	38.5
605.33301	66.7
606.33813	8.0
625.83179	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	605.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	63.8
60.67144	1.3
60.95851	1.8
69.34609	1.1
69.35700	1.3
71.54563	1.8
71.95262	1.3
74.97602	7.1
82.15919	1.1
83.23631	1.2
84.96037	21.5
86.97597	2.9
91.05504	4.3
98.97588	100.0
102.97035	2.5
110.97594	10.4
114.97090	3.4
116.98631	32.7
119.04949	11.0
124.99136	4.0
128.98599	10.5
132.98117	10.6
134.99680	7.1
140.98625	1.4
143.00186	16.5
146.99657	4.9
147.04422	38.2
150.99138	12.1
156.98064	2.5
158.37222	1.1
158.99661	28.7
161.01225	12.1
169.00232	2.8
174.99181	5.6
175.00502	1.2
177.00739	19.0
177.02213	2.4
181.01712	1.3
185.01244	3.5
188.97070	1.6
191.00215	3.0
191.35486	1.3
193.00298	6.5
193.01779	1.8
195.03316	7.1
203.00252	5.5
203.02090	1.8
205.01752	2.9
206.98111	3.7
209.01231	2.2
213.04388	6.7
219.01735	2.5
221.01286	23.8
223.02754	2.9
230.98227	1.8
235.02783	4.0
239.02324	58.1
243.01566	2.3
245.01230	11.0
248.99205	7.8
253.03847	3.9
257.03400	20.3
263.02307	20.5
267.00232	28.6
271.02884	1.5
275.02252	1.7
277.00244	1.7
277.03979	1.4
279.01868	6.4
281.03387	18.1
285.01276	9.1
289.03784	3.5
291.00314	5.9
299.04453	2.2
303.01831	2.0
309.01309	11.0
321.02747	3.3
331.01199	1.9
349.02374	3.9
365.05472	2.6
367.03433	2.1
377.01862	6.9
395.02875	70.6
396.03394	1.6
413.03912	35.6
418.04843	1.7
423.00827	77.2
441.01898	35.5
464.03754	2.1
478.31396	1.5
569.04510	19.3
587.05249	4.3
605.17157	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.9
55.05511	26.5
57.07072	17.1
62.98243	3.7
67.05183	3.4
67.05511	49.9
69.03440	18.4
69.06778	3.1
69.07071	35.1
69.21774	11.4
69.22187	18.7
69.36277	3.9
71.04989	3.4
71.08626	9.2
79.05499	31.3
81.07056	60.3
83.04980	12.6
83.08622	30.2
83.69669	3.8
83.71684	3.1
85.10178	5.4
91.05475	14.0
93.07053	35.1
94.07365	3.3
95.04967	3.3
95.08617	100.0
97.06538	4.8
97.10163	17.5
105.07060	18.3
105.33701	3.2
106.07346	6.4
107.08598	28.9
108.90968	3.2
109.06509	6.3
109.09573	3.6
109.10178	43.2
111.04464	26.9
111.08122	3.6
111.11714	7.2
117.07043	6.8
119.08604	20.1
120.08906	9.4
121.10156	47.1
122.10435	7.3
123.08051	7.8
123.11683	14.8
125.05997	3.9
125.13255	4.6
129.05487	49.5
131.08568	9.3
133.10138	12.8
135.08067	7.1
135.11688	25.2
137.09634	5.4
137.13240	9.2
139.07516	4.8
143.08528	8.3
145.10114	8.1
146.10510	5.1
147.07990	6.3
147.11751	5.1
148.08345	5.6
149.09749	3.3
149.13290	8.5
151.14830	4.2
153.09126	4.0
157.10046	5.4
159.11665	5.0
160.12045	4.1
163.11258	4.7
165.09099	10.3
165.16515	3.7
166.09467	11.0
171.11641	3.6
190.13113	3.6
191.17947	41.7
194.16103	2.9
203.14151	3.9
204.14653	6.8
207.19962	3.3
209.19040	39.1
211.20456	6.7
215.17838	4.2
219.21111	14.7
221.15427	19.9
221.22627	10.2
222.15758	25.6
223.15968	9.7
233.19080	4.0
237.22147	11.3
239.23697	75.4
243.21065	5.7
251.20047	15.6
269.21136	32.9
273.18091	3.8
279.23175	8.6
287.19711	5.2
297.24277	8.9
299.25806	4.2
389.01999	2.8
405.31131	2.9
493.35764	3.4
523.36438	5.6
585.41418	3.7
603.42358	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	603.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
55.01875	3.0
55.05522	29.1
57.07081	20.8
66.27276	1.7
67.05512	46.4
69.03437	29.4
69.07081	30.3
70.50443	1.8
71.04987	4.5
71.08646	14.9
79.05499	40.9
81.06586	3.4
81.07066	60.7
81.65300	1.9
83.04990	22.1
83.08633	20.3
83.51684	1.8
85.06548	9.2
85.10195	10.5
91.05490	8.3
93.07053	45.9
95.04967	3.1
95.08620	63.2
97.06530	6.4
97.10168	20.2
105.07047	5.7
107.08607	34.3
109.06540	2.4
109.10162	24.4
111.04460	55.3
111.08074	3.2
111.11734	7.4
115.03979	2.3
117.07058	2.3
119.08591	5.4
121.06557	2.3
121.10155	69.6
123.11732	19.0
125.06007	6.8
125.09604	2.9
129.05498	100.0
131.08585	6.3
133.10141	6.9
135.08051	5.3
135.11699	40.1
137.13298	10.6
139.07582	6.0
139.11266	2.2
145.10196	2.2
149.13287	12.1
151.14873	2.4
153.09181	2.8
155.14360	2.8
161.13258	2.6
163.14851	5.0
165.16423	1.9
167.10764	3.2
173.13274	2.7
177.12733	2.3
177.16422	3.4
187.14812	2.0
191.17970	14.1
193.19479	4.0
201.07764	2.4
202.31027	1.9
209.19052	13.3
211.20612	7.4
217.19542	3.4
219.21107	69.0
233.19086	3.8
233.22742	4.0
237.22159	79.9
239.23715	4.3
240.23956	2.2
243.21127	13.0
249.92987	2.0
251.20129	6.9
261.22177	15.3
269.21045	14.1
279.23215	50.7
297.24274	89.9
315.25232	5.5
333.26453	8.0
451.19077	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	603.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.7
55.05513	28.0
57.07077	22.4
67.05177	5.1
67.05508	63.2
69.03433	26.6
69.06782	2.8
69.07078	33.3
70.79399	5.9
71.04990	6.6
71.08633	17.5
75.94972	2.7
79.05074	3.6
79.05499	56.1
81.07064	69.1
83.04980	18.4
83.08623	28.5
85.06541	12.1
85.10165	6.9
87.04495	3.1
91.05486	11.5
93.07050	52.1
95.04935	5.2
95.08615	69.4
97.06522	9.2
97.10168	15.2
98.81905	2.9
105.07020	6.0
107.04939	6.3
107.08607	33.9
109.10173	40.5
109.52927	2.8
111.04452	55.0
111.08091	4.9
111.11725	9.4
117.07056	3.6
119.08584	8.8
121.06442	3.9
121.10155	69.7
123.11712	22.5
125.05971	5.7
129.05486	100.0
131.08603	5.9
133.10117	6.4
135.08076	6.1
135.11703	46.6
137.13263	8.9
139.07504	8.5
145.10121	3.4
147.11656	3.7
149.09604	4.0
149.13261	12.2
151.14809	3.7
153.09085	3.6
163.11125	4.1
167.10698	3.1
173.13315	3.6
175.14835	4.3
177.16342	3.0
179.18031	3.9
189.16306	3.2
191.17967	45.4
193.19498	4.7
205.19386	3.2
207.63040	3.1
209.19022	47.9
211.20551	7.4
215.17958	6.1
219.21086	56.1
233.19057	6.5
233.22559	3.8
237.22154	55.5
239.23662	5.7
243.21104	5.7
247.24217	4.4
251.20033	23.6
261.22086	11.6
269.21112	37.7
279.23172	34.0
297.24258	84.4
297.40265	3.0
305.23297	5.5
316.98050	3.2
412.00790	3.0
416.34021	3.1
527.93268	3.5
603.38196	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	603.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.3
55.01871	4.0
55.05306	2.0
55.05519	25.5
57.07084	13.2
61.02936	3.0
61.05497	1.9
67.05512	44.8
69.03434	26.5
69.07072	24.7
71.05000	2.6
71.08629	9.5
79.05499	39.0
81.07066	55.0
83.04993	23.4
83.08627	23.9
85.06540	10.6
85.10184	5.1
87.04496	2.4
88.63562	1.9
91.05486	7.9
93.07059	43.5
95.08613	58.3
96.88184	1.9
97.06498	3.6
97.10178	15.5
99.08073	2.2
105.07043	4.6
107.04961	2.9
107.08601	25.1
109.06489	3.0
109.10175	26.2
111.04453	42.5
111.08050	3.1
111.11719	4.7
119.08588	6.9
121.06501	5.0
121.10149	64.8
123.08122	2.2
123.11707	16.5
123.66541	1.8
125.05994	6.5
125.09627	3.3
125.13229	2.9
127.07587	3.8
127.11100	1.9
129.05495	100.0
131.08575	6.2
133.10127	5.2
135.08080	4.3
135.11705	41.2
137.13284	15.2
139.07545	7.8
139.11182	2.0
145.10101	3.6
149.13263	5.8
149.62856	1.9
151.14789	3.4
153.09076	2.6
155.14334	4.1
159.11702	3.7
163.14821	4.5
167.10680	3.7
182.59869	1.9
186.69502	2.0
191.17975	6.0
193.19516	4.7
209.19034	4.0
211.20605	7.5
215.18018	2.2
217.19496	5.3
219.21101	79.3
233.22699	3.4
237.22133	75.9
243.21129	13.1
251.19910	2.6
261.22180	14.7
269.21146	3.3
279.20731	1.4
279.23203	49.4
297.24268	74.9
313.16644	1.8
315.25296	6.9
333.26419	7.4
612.22955	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	603.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	4.0
54.99187	3.2
55.05518	27.5
57.07080	16.9
57.32040	3.4
58.61901	3.1
67.05224	4.0
67.05510	43.0
69.03434	32.1
69.07080	26.6
71.05001	7.1
71.08640	8.2
71.85390	3.1
79.05502	44.0
81.07062	58.8
83.04992	18.1
83.08629	29.5
85.06553	7.8
85.10184	5.5
91.05490	6.5
93.07052	49.8
95.08613	67.3
97.06516	7.4
97.10191	18.2
105.07026	5.9
107.08603	33.1
109.06538	5.0
109.10175	33.7
111.04453	56.6
111.11702	7.6
112.57156	3.3
119.08591	5.2
121.06530	4.4
121.10159	71.4
121.89716	3.7
123.11698	20.3
125.06020	6.3
125.09672	3.6
129.05498	100.0
131.08566	7.1
133.10143	6.0
135.08118	3.6
135.11716	40.8
137.13264	13.0
139.07568	7.2
145.10141	4.4
149.09680	3.7
149.13286	10.7
151.14897	4.5
155.14348	4.3
157.68854	3.2
159.11676	5.6
163.14845	8.0
172.75056	3.8
173.13248	4.9
179.99896	3.5
191.17957	29.1
193.19511	5.1
209.19009	28.8
211.20477	7.5
215.17894	4.1
217.19499	5.8
219.21117	67.6
233.18977	7.2
237.22095	60.8
243.21223	8.6
251.20102	14.5
261.22195	11.3
269.21127	29.7
279.23251	48.5
297.24255	58.1
333.26111	6.0
470.84247	4.8
591.82941	4.2
603.42761	4.4
622.79950	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3164
Annotation	trapoxin A
Peak:m/z	Relative Intensity
53.03946	9.2
53.98038	2.7
55.01864	15.9
55.05516	49.3
57.03437	10.8
58.77878	3.2
66.54623	2.9
67.05510	45.9
69.03419	13.9
69.07070	15.0
70.66570	7.3
71.01363	4.2
71.04991	8.2
73.02940	3.6
79.05495	58.6
81.02979	5.9
81.03421	67.5
81.07066	55.2
82.59500	2.9
83.04984	17.2
83.08617	26.5
85.02900	32.4
85.06532	5.6
91.05489	64.6
93.07047	43.7
95.01329	5.6
95.04969	62.7
95.08612	23.4
97.02898	7.0
97.06517	6.1
97.10177	27.9
99.04453	4.5
103.05483	9.0
105.03422	4.2
105.07035	47.4
107.04953	23.6
107.08608	25.7
109.02892	16.0
109.06515	8.5
109.10172	12.3
111.04458	17.9
111.08069	12.7
113.05999	4.5
115.05450	15.8
117.07035	25.8
119.04951	8.0
119.08581	22.1
121.02875	10.5
121.06513	20.1
121.10139	14.5
123.04468	4.7
123.08071	8.3
123.11712	3.4
125.09605	15.8
128.06229	9.6
129.07014	27.2
131.04927	20.1
131.08539	18.0
133.06522	19.0
133.10123	18.2
135.04384	5.5
135.08084	7.5
135.11725	8.8
137.02359	10.2
137.05948	4.2
141.07027	13.9
142.07758	4.4
143.08585	10.5
145.06508	29.4
145.10121	12.6
147.04433	17.8
147.08060	11.8
147.11729	11.0
149.05956	7.3
149.09637	7.6
153.07016	5.2
153.12836	3.7
155.08575	10.9
157.06496	13.2
157.10120	12.1
159.04439	3.8
159.08060	11.0
159.11739	5.8
160.05167	6.9
161.05966	25.3
161.09633	5.1
163.03983	4.0
163.11241	15.0
165.06950	5.5
165.12808	3.0
167.08575	6.0
169.06549	5.0
169.10170	7.5
171.04420	3.6
171.08070	8.4
171.11745	5.3
173.05977	40.2
173.09694	9.9
174.06761	9.9
175.04027	3.2
175.07582	10.8
175.11121	4.1
179.08539	4.0
181.06497	5.2
181.10112	6.1
181.12315	5.4
183.08035	6.7
185.06007	8.8
185.09714	6.8
187.07512	20.2
189.05504	28.1
189.09314	3.1
189.11243	12.1
191.10712	4.7
193.12288	22.3
195.08043	8.1
195.11778	5.0
199.07489	5.5
201.09091	5.0
203.07034	4.8
211.11462	5.4
211.13254	26.6
213.09055	4.2
227.12787	11.9
235.11349	3.6
237.12946	4.0
243.13803	4.3
255.13884	11.5
257.15311	9.0
259.13318	5.2
267.15884	10.4
271.13339	7.0
273.14890	23.4
283.13196	19.4
285.10172	3.8
285.14700	11.4
285.17496	15.1
289.14417	6.3
291.05167	3.1
297.14975	4.1
301.14331	92.2
301.17633	6.0
303.15939	8.3
303.91919	4.0
315.15939	5.2
319.15457	12.2
323.16492	8.4
341.17575	23.3
343.15494	15.7
357.16772	6.7
361.16339	6.2
375.18066	20.9
381.23761	3.6
393.19171	7.2
435.00034	3.5
451.24686	5.3
461.74176	3.2
475.24829	9.0
483.27136	4.5
493.25818	10.1
504.73352	3.4
511.26999	11.5
543.29431	23.9
555.29547	4.6
567.29755	23.2
573.30731	18.4
585.30621	100.0
603.31702	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35107	1.9
51.02389	2.9
53.03946	9.7
55.01867	15.2
55.05519	34.1
57.03451	14.8
59.04990	2.5
67.05511	49.1
67.61852	2.2
69.03423	7.3
69.07070	11.9
70.09837	8.8
71.04990	4.8
73.02947	2.4
73.25040	1.9
79.05501	50.8
81.03424	78.6
81.07060	48.4
83.04973	16.9
83.08632	32.3
85.02914	28.0
85.06539	4.7
91.05486	56.6
93.03439	3.0
93.07053	33.7
95.04977	59.0
95.08611	19.4
97.02908	8.0
97.06527	8.3
97.10162	17.1
98.20815	2.8
103.03795	2.0
103.05475	13.0
105.03384	3.2
105.07034	40.4
107.04970	18.1
107.08604	20.9
109.02898	22.5
109.06543	8.4
109.10173	8.1
111.04443	18.0
111.08120	7.6
113.06001	2.4
115.05467	12.7
117.07047	19.1
119.04962	8.6
119.08591	23.0
121.02869	7.8
121.06515	15.7
121.10154	14.5
123.04430	8.3
123.08087	5.6
123.11698	2.9
125.06004	3.2
125.09634	11.7
127.03979	4.1
128.06218	6.0
129.07019	21.3
131.04916	18.1
131.08582	24.0
133.06508	16.5
133.10156	10.7
135.04407	4.2
135.08083	6.1
135.11726	7.6
137.02376	7.3
137.05968	5.8
137.09557	2.4
138.38824	2.5
140.06216	2.0
141.07011	9.2
142.07791	4.0
143.04929	2.5
143.08575	8.5
144.05716	2.5
145.06483	21.4
145.10127	12.0
147.04416	9.6
147.08054	9.2
147.11725	12.8
149.06015	10.7
149.09654	10.3
153.12767	4.5
155.08594	7.3
155.90273	2.0
157.06525	11.7
157.10098	13.0
159.04393	2.9
159.08090	9.5
159.11691	3.1
160.05180	4.7
161.05994	27.9
161.09666	3.3
163.03862	3.7
163.11192	13.5
165.07065	5.9
165.12776	4.1
167.08568	3.6
169.06451	2.8
169.10133	5.3
171.04430	5.4
171.08076	8.1
171.11699	3.5
173.06017	29.5
173.09714	6.5
174.06798	7.7
175.03932	6.1
175.07567	6.2
175.11215	11.8
177.05537	2.2
181.10095	3.3
181.12230	4.0
183.08151	4.3
183.11600	2.3
185.06013	5.0
185.09706	5.0
185.13263	2.6
186.06798	4.0
187.07555	15.4
187.11299	3.2
187.13191	2.5
189.05481	30.6
189.09187	4.4
189.11235	6.0
189.12801	2.3
191.07025	2.4
191.10669	6.4
193.10406	3.1
193.12247	33.6
195.08139	3.7
197.05977	3.6
197.09641	3.4
199.07549	4.0
199.11061	2.1
201.09149	3.7
203.06998	2.6
203.10606	4.0
205.12238	3.4
209.13341	3.5
211.13300	37.2
213.12743	3.5
223.13248	2.3
227.12811	8.0
227.14703	3.3
229.12399	2.5
237.13010	2.7
241.12263	3.0
243.13791	3.6
245.15497	2.6
247.13264	3.5
255.13815	10.7
257.15421	6.1
259.13373	2.8
265.12097	2.4
267.09116	4.0
267.13550	2.5
267.16019	9.4
269.12424	6.3
271.13248	4.7
273.14914	32.7
283.13092	14.3
283.16034	2.8
285.14798	10.6
285.17496	19.0
289.14462	10.6
291.16080	3.6
301.14346	100.0
303.16074	8.7
313.17841	2.3
319.15460	14.6
323.16623	4.3
331.15363	2.2
341.17413	5.0
345.16769	2.7
357.17023	5.0
359.18604	3.2
375.18091	24.4
385.24084	2.6
391.49014	2.6
393.19049	12.6
447.25421	3.6
483.26923	2.6
493.25903	8.0
503.27179	2.7
511.26932	7.5
529.28662	3.3
539.29810	2.8
555.29401	3.5
567.29626	12.9
573.30731	21.9
585.30664	78.1
603.31628	93.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.0
55.05509	13.3
57.07080	10.5
65.03935	5.4
66.98657	4.7
67.05508	37.0
69.03426	6.6
69.07057	21.2
71.54845	4.7
73.71629	4.5
79.05496	45.3
81.07061	45.3
83.04987	9.4
83.08606	7.3
91.05486	56.5
93.07043	99.1
95.04955	14.1
95.08619	41.6
97.06543	15.1
103.05404	5.0
105.07045	100.0
107.08605	85.3
109.06522	16.7
109.10164	31.6
111.08080	5.7
115.05485	5.7
116.06248	8.2
117.07047	22.7
117.80511	4.5
119.06133	5.5
119.08590	98.1
120.09377	6.6
121.06493	13.1
121.10165	74.3
123.08086	10.2
123.11731	14.8
124.11589	6.1
125.09683	7.8
128.06229	14.0
129.07005	26.2
130.07803	9.1
131.08582	46.5
133.10130	61.4
135.08066	20.1
135.11694	65.0
137.09647	12.2
141.07005	6.7
142.07816	30.1
143.08582	44.3
144.09348	14.1
145.10139	73.4
147.08055	20.9
147.11713	21.5
149.09627	40.5
149.13223	5.1
155.08568	19.7
156.09381	17.8
157.10129	70.1
158.10901	11.3
159.08105	9.6
159.11714	44.6
161.09601	15.7
161.13274	9.5
163.11183	8.6
165.07025	6.2
165.09137	10.9
167.08603	10.5
167.10789	8.4
168.09387	11.4
169.10136	27.9
170.10915	10.6
171.08176	5.3
171.11728	39.1
173.09612	12.6
173.13251	23.0
175.11153	11.1
175.14819	10.7
179.03307	10.9
179.08694	7.2
180.09305	7.0
181.10135	16.6
182.10895	7.8
183.11717	33.3
184.12376	8.1
185.13287	30.4
187.11336	5.6
187.14836	20.8
189.12787	10.6
191.14357	5.2
193.10112	13.1
194.10913	9.2
195.11702	33.5
196.12604	5.5
197.13235	33.1
199.11122	5.5
199.14809	18.9
200.15662	5.6
201.12694	8.8
201.16408	5.2
205.10017	7.4
206.10939	7.9
207.11690	20.1
208.12396	9.6
209.13277	27.0
210.14064	6.0
211.11183	7.1
211.14819	17.0
213.12749	14.9
213.16417	6.7
215.14288	6.8
218.10890	5.4
219.11670	5.9
220.12604	5.2
221.13264	13.6
221.15282	7.6
223.14853	12.3
225.12892	6.0
225.16344	7.8
227.14412	9.7
229.15884	7.3
233.13277	8.6
233.15373	23.5
235.14799	9.4
237.16391	12.7
239.14360	5.8
245.13173	6.6
247.14757	9.9
249.16408	7.7
253.16025	6.6
255.17412	56.9
259.14844	5.8
261.16302	10.5
263.18030	9.9
265.19647	5.4
268.18164	6.8
269.18872	7.5
270.19696	10.2
275.17941	6.8
281.19077	6.8
289.19376	5.3
334.22894	9.4
349.25186	10.8
508.17795	5.4
602.36029	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	601.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86747	1.5
53.03933	2.0
55.01880	2.6
55.05266	2.1
55.05516	21.7
57.06824	2.8
57.07080	37.1
67.05178	3.3
67.05511	45.4
69.03429	17.6
69.07072	22.0
69.25410	9.7
69.25832	5.7
71.04997	38.5
71.08640	19.9
79.05499	35.7
81.07065	46.7
83.04992	14.0
83.08632	15.6
83.22518	1.6
85.06537	5.1
85.10190	14.8
87.04464	2.1
91.05482	18.4
93.07050	46.2
94.07362	2.2
95.04989	8.5
95.08614	52.7
96.08923	1.8
97.06530	8.0
97.10173	8.3
104.65144	1.7
105.04548	2.0
105.07043	20.5
106.07374	2.7
107.08600	29.4
108.08952	2.0
109.06498	6.6
109.09585	1.8
109.10185	23.5
111.04453	22.2
111.08055	2.6
111.11729	3.1
117.07021	6.2
119.08598	15.1
121.06483	3.8
121.10158	48.3
123.08056	4.9
123.11716	10.1
125.05965	2.2
125.09575	2.4
127.11139	2.0
127.40577	1.9
128.06244	3.2
129.05492	27.3
129.07011	4.2
131.08569	9.8
133.06482	1.7
133.10147	13.2
135.08072	3.6
135.11710	25.4
137.09639	3.5
137.13252	3.2
139.07567	3.8
139.11189	2.7
142.07741	2.9
143.08574	8.3
145.10182	13.3
146.10521	2.9
147.08072	5.1
147.11684	5.8
149.09599	5.9
149.13280	5.0
151.07538	2.3
155.08496	3.2
155.14348	2.2
156.09256	1.9
157.10127	9.0
158.10669	2.9
159.11720	8.0
160.08752	2.2
161.13100	2.0
163.11160	2.4
163.14796	2.2
165.09074	4.0
167.10692	4.8
169.10139	6.6
169.15866	11.6
170.10783	2.6
171.11694	6.3
172.12120	2.5
173.13231	5.5
175.11185	4.1
175.14801	1.8
181.10123	3.6
181.12276	2.6
182.10832	2.0
183.11696	5.4
184.12054	1.9
185.13303	4.7
189.12718	3.0
191.17949	23.1
193.10146	2.8
194.10680	1.8
195.11562	3.0
196.12195	2.6
197.11658	2.2
197.13330	4.4
198.13593	1.9
203.14265	2.5
205.19418	3.1
207.11658	2.0
209.13322	3.1
209.19008	29.1
211.14810	2.5
213.12608	2.5
215.17953	3.4
219.21082	15.0
221.15318	10.5
222.15706	1.9
223.14737	2.4
227.20111	3.7
229.77950	1.7
233.15414	4.2
233.19023	3.6
237.22089	15.7
238.15161	2.9
243.21178	3.5
247.16985	2.3
251.20137	10.1
255.17392	3.2
255.23238	5.1
256.17578	1.9
261.22241	3.5
269.21136	100.0
271.16855	2.4
279.23352	8.9
288.20413	2.1
297.24277	52.9
303.19528	3.5
304.20093	2.3
352.23840	4.8
353.24387	4.8
365.24921	2.2
366.25275	2.1
521.35724	2.5
601.35474	10.7
601.42841	1.7
607.60938	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.1
55.01875	3.1
55.05515	20.6
57.06822	4.3
57.07079	40.5
57.24976	2.1
65.03934	3.1
67.05513	52.2
69.03439	22.8
69.07073	34.7
71.04999	28.3
71.08635	20.7
79.05064	3.1
79.05503	35.0
81.07068	58.0
82.07405	2.4
83.04995	14.8
83.08620	17.7
85.06556	5.8
85.10180	17.0
87.04460	3.8
90.17700	2.2
91.05499	19.6
93.07050	56.5
94.07370	2.6
95.04987	8.8
95.08614	69.9
97.06541	13.2
97.10175	14.3
105.07046	26.7
106.07394	3.7
107.04919	2.8
107.08610	37.3
109.06541	7.5
109.10180	28.5
111.04460	17.7
111.08089	3.1
111.11729	4.4
117.07029	6.6
119.08585	21.6
120.08953	2.3
121.06516	4.0
121.10155	53.4
121.11036	3.1
123.08094	6.1
123.11680	10.8
125.06008	4.1
125.09680	4.8
127.07567	3.2
127.11237	2.2
128.06201	2.7
129.05507	29.9
129.07018	6.5
131.08591	9.8
133.06467	2.1
133.10155	15.7
134.10536	2.8
135.08061	7.3
135.11691	30.7
137.09628	4.7
137.13278	7.4
139.07599	4.0
141.07037	2.3
141.47725	2.0
142.07802	5.8
143.08585	11.1
145.10138	17.9
146.10507	3.2
147.08038	6.2
147.11684	6.1
149.09619	9.7
149.13295	6.9
151.07570	4.9
151.14812	2.9
154.55692	2.1
155.08611	3.2
155.10715	2.3
155.14372	5.8
156.09296	3.8
157.10159	12.5
158.10498	4.3
159.08064	3.8
159.11737	12.0
160.12083	2.2
161.09613	3.7
161.13254	5.6
163.11281	4.7
164.11571	2.4
165.09116	8.0
165.16486	2.8
167.08702	3.3
167.10666	7.1
168.09303	2.3
169.10103	5.7
169.15892	7.9
170.10716	2.9
171.11690	8.1
173.09669	2.8
173.13264	5.0
175.11180	3.9
175.14804	2.8
179.08546	2.4
181.10121	3.7
181.12201	3.6
182.10623	2.6
183.11722	5.9
184.12250	3.4
185.13326	3.1
186.13692	3.4
191.14331	2.9
191.17970	21.3
193.10164	2.8
196.12042	3.5
197.13220	4.6
197.19086	3.5
203.14307	4.3
204.14552	2.4
205.19453	3.1
207.11670	3.1
207.13882	2.2
209.19014	31.2
211.14885	4.3
211.20624	3.8
215.17993	2.8
217.19519	2.4
219.21054	16.9
221.13460	3.5
221.15337	14.0
222.15741	5.5
223.20503	2.8
233.19026	5.6
233.22702	4.9
237.14790	3.1
237.22136	22.3
251.20085	14.3
255.23167	3.9
261.22296	3.6
269.21143	100.0
279.23224	8.1
286.19318	2.6
287.19904	2.7
297.24292	78.3
299.20145	3.5
303.19632	4.7
304.19891	4.6
325.21579	2.7
352.23856	4.8
353.24301	9.0
366.25201	4.3
379.27039	2.3
503.34818	2.8
510.66028	2.6
521.35565	5.5
601.36975	9.2
601.43213	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	601.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.01891	2.5
55.05516	28.4
57.07080	46.3
62.43970	2.0
65.03944	3.1
67.05506	58.3
68.20448	1.9
69.03428	24.0
69.06731	2.4
69.07074	36.1
69.32692	15.0
70.06590	4.9
71.04997	27.3
71.08635	28.0
75.61771	2.1
79.05068	3.3
79.05495	44.1
79.49484	2.2
81.03422	9.0
81.07061	67.6
83.04990	22.3
83.08628	20.9
85.06556	8.6
85.10191	19.9
87.04472	3.1
89.06067	2.7
91.05489	17.9
93.07053	56.8
95.04954	5.9
95.08613	73.4
97.06544	11.5
97.10184	16.1
105.07018	15.6
107.04935	3.8
107.08604	34.1
109.06513	4.7
109.10155	32.9
111.04443	31.9
111.08085	3.1
116.07086	5.6
117.06984	2.9
119.08583	11.8
121.06532	2.8
121.10147	66.3
122.89697	2.2
123.08102	3.1
123.11700	16.1
125.05996	5.0
125.13417	2.4
129.05489	61.8
129.06982	2.5
131.08598	10.7
133.06554	3.6
133.10112	12.6
135.08087	6.6
135.11691	43.4
137.09633	4.3
137.13234	10.1
139.07582	2.4
141.12756	2.4
142.07788	4.3
143.08592	5.3
145.10135	10.6
147.11679	6.3
149.09608	5.0
149.13277	9.8
151.14857	2.7
153.09094	3.4
155.08521	3.9
155.14410	4.1
157.10075	7.7
159.11685	6.5
160.05078	2.3
161.06013	4.7
163.11201	4.4
163.14870	5.4
165.09143	2.8
165.16379	2.6
167.10614	4.5
169.15884	6.3
171.11667	3.0
173.05956	4.3
173.38092	2.3
183.11722	2.9
183.69830	2.2
185.13252	3.0
187.07510	2.1
191.17950	36.3
195.13997	2.6
197.18932	3.1
203.14357	3.0
205.19551	3.8
209.19003	38.0
215.17973	4.1
217.19601	3.0
219.21091	36.9
221.13326	2.1
221.15431	6.2
233.18970	6.9
233.22694	2.6
235.14752	2.5
237.22145	42.5
243.21104	6.3
251.20120	19.0
253.21616	2.4
255.23170	3.4
261.22177	6.0
269.21149	100.0
271.13120	5.3
277.21692	2.7
279.23175	18.1
281.47723	2.2
289.14209	3.0
295.22638	2.4
297.24274	91.4
313.27194	3.0
353.24292	3.9
461.21039	2.7
482.54239	2.2
601.41718	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	601.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.8
53.28987	3.7
54.89960	3.9
55.01884	3.7
55.05521	29.4
56.41578	3.9
57.07055	12.1
61.09733	3.5
62.01528	4.0
65.03944	4.4
67.05234	3.3
67.05509	38.1
67.94223	3.7
69.03422	17.0
69.07059	32.4
70.71924	4.8
70.86671	3.9
71.04993	6.7
71.54929	7.7
72.35760	4.3
79.05125	4.1
79.05504	47.3
81.07069	56.4
83.04986	19.8
83.08634	42.6
85.06529	11.7
87.04447	3.8
91.05497	65.4
93.07050	82.0
95.04993	24.3
95.08620	52.3
97.06525	15.9
102.68868	4.4
103.05499	7.2
104.10761	12.3
105.07043	100.0
106.94509	3.9
107.08611	77.3
109.06525	14.4
109.10156	56.6
111.08077	11.1
113.06001	4.6
113.09663	8.2
115.05459	6.2
116.06216	4.4
117.07034	24.6
119.07790	7.0
119.08591	90.4
121.06486	10.0
121.10163	98.0
123.08064	24.4
123.11705	15.4
125.05988	5.7
125.09620	16.2
127.07427	4.5
128.06221	10.2
129.06992	27.1
130.07776	6.8
131.08577	50.7
133.06480	4.8
133.09242	6.2
133.10146	63.7
135.08058	12.5
135.11671	27.8
137.09592	10.8
139.11162	16.7
141.06972	8.6
142.07780	30.9
143.08601	39.8
144.09344	8.3
145.10139	82.1
147.08054	11.5
147.11707	28.2
149.09647	24.7
149.20981	4.5
151.07538	6.4
151.11134	5.2
155.08562	20.8
155.10667	13.2
156.09326	16.4
157.10167	57.9
158.10919	6.3
158.99045	3.7
159.08080	18.6
159.11723	41.1
161.09607	13.1
161.13255	9.7
163.11214	11.6
165.07043	10.7
165.09129	17.0
165.12746	6.2
166.09413	4.8
167.08565	10.2
167.10703	57.0
168.09326	8.6
169.10152	31.5
170.10890	7.2
171.07936	5.0
171.11707	36.0
173.13292	35.2
175.11172	8.5
175.14839	21.9
179.08562	11.6
180.09348	7.0
181.10094	18.6
181.12221	20.4
182.10817	7.2
182.28511	3.7
183.11725	32.6
184.12396	5.7
185.13266	21.9
187.11208	5.5
187.14798	11.8
189.12692	6.9
191.14278	11.3
193.10104	12.1
194.10899	11.8
195.11725	26.0
195.13374	4.3
196.12495	8.5
197.13271	31.2
199.11237	4.6
199.14856	19.9
201.16263	5.3
203.14345	11.9
206.10941	7.2
207.11690	17.1
207.13623	4.2
208.12502	6.7
209.13249	30.0
209.15224	7.7
211.14914	22.2
212.15549	4.8
213.12772	6.7
215.14282	5.0
217.15894	10.7
219.11627	7.6
219.17474	4.8
221.13269	15.5
221.15381	32.3
222.13889	4.9
222.15862	9.0
223.14818	17.3
225.12791	5.9
225.14864	11.8
227.14268	5.5
231.11737	6.9
231.17209	5.6
233.13216	9.9
233.15373	41.8
234.13763	4.1
235.14781	10.6
237.16374	8.4
239.18040	6.1
243.11530	4.5
245.13211	5.6
247.14816	9.8
248.15221	4.3
249.16368	9.4
251.18042	6.2
257.19104	7.9
259.14819	6.1
261.16336	12.3
263.17908	13.3
265.19623	9.4
269.18878	15.4
275.17868	6.9
277.19510	5.7
281.18869	8.0
283.20511	8.2
289.19485	6.2
295.20535	4.6
299.20050	5.6
307.20422	4.0
329.22528	4.6
335.23468	7.9
349.25314	6.5
361.25262	10.4
375.25885	5.6
415.29800	11.2
421.30612	4.5
433.13467	4.6
508.36047	4.3
547.39294	5.6
565.40582	10.7
583.41638	26.0
601.42529	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	4.8
53.03931	8.4
53.83524	2.1
54.60846	2.4
55.01863	3.4
55.05514	28.0
57.07070	10.1
59.05001	4.6
65.03939	5.7
67.05509	39.6
68.56532	2.4
69.03437	21.3
69.07079	27.7
69.79250	2.3
71.04993	8.6
71.08651	4.3
77.03903	3.7
79.05064	3.2
79.05501	44.5
81.03422	5.4
81.07063	57.0
83.04992	23.4
83.08619	21.6
85.02893	3.5
85.06538	9.5
87.04465	5.4
89.06010	4.1
91.05489	75.1
92.05795	2.5
93.07055	95.7
94.07437	3.0
95.04977	21.7
95.08615	54.9
97.06549	16.2
97.10149	6.3
98.21569	3.9
99.08112	2.6
99.50531	2.4
100.06795	2.2
103.05455	5.9
105.07043	100.0
106.07330	6.3
107.04989	3.6
107.08604	80.4
108.08892	4.1
109.06531	20.0
109.09477	2.9
109.10173	46.0
110.10453	2.9
110.33027	2.3
111.04458	5.4
111.08095	7.4
111.11723	3.8
113.09670	5.5
115.05460	7.8
117.07021	23.8
119.08588	95.2
120.08892	4.8
121.06523	14.8
121.10155	94.7
122.10485	4.1
123.08083	18.7
123.11715	16.3
125.05996	3.9
125.09637	15.8
128.01140	2.9
128.06215	13.7
129.05463	8.1
129.07019	18.0
130.07779	9.5
131.08586	48.7
132.08838	2.4
133.06483	8.1
133.08620	3.9
133.10143	65.6
134.10487	3.0
135.08083	19.0
135.11696	23.5
137.09618	11.9
137.13260	3.8
139.11172	7.9
141.07004	12.8
142.07794	23.9
143.08578	48.7
144.09221	9.7
145.06351	3.3
145.10130	73.4
146.10556	7.4
147.08061	17.5
147.11700	25.4
148.11995	2.5
149.09631	22.3
149.13248	6.6
151.07532	7.7
151.11165	2.4
153.07028	5.1
154.07695	2.8
155.06108	2.6
155.08586	20.4
155.10687	5.8
156.09389	18.5
157.10158	62.5
158.10786	9.1
159.08083	18.2
159.11702	50.5
160.12177	3.8
161.09602	16.0
161.13232	8.7
163.11217	7.3
165.06982	6.2
165.09164	13.1
165.10336	2.3
166.07770	5.7
167.08618	12.8
167.10690	58.6
168.09326	8.1
168.10912	2.5
169.10144	31.7
170.10754	8.5
171.07990	3.7
171.11679	36.2
172.12318	4.7
173.09622	8.1
173.13268	27.8
175.11221	14.0
175.14815	13.9
179.08551	8.0
180.09210	6.5
181.10110	20.3
181.12254	4.5
182.10872	11.0
183.11700	25.7
184.12167	5.9
185.09700	4.7
185.13278	21.5
187.11223	9.6
187.14816	9.6
189.12778	7.6
191.08543	3.4
191.14334	9.4
191.17981	4.8
192.09256	5.4
193.10173	14.7
194.10869	8.5
195.11702	29.5
196.12363	10.0
197.09622	2.2
197.13202	24.5
198.13701	4.3
199.11151	5.7
199.14830	14.7
200.15227	2.8
201.12701	5.1
201.16370	8.3
203.14352	11.8
205.10069	5.2
206.10840	8.2
207.11681	16.5
207.13649	4.7
208.12390	8.4
209.13301	25.0
209.19061	3.9
210.13759	6.5
211.11194	3.4
211.14793	17.0
212.15216	2.7
213.12682	6.0
213.16284	5.0
215.14314	7.6
217.15799	2.8
218.10898	2.7
219.11746	5.8
219.13803	2.9
219.21077	5.4
220.12462	5.0
221.13232	14.7
221.15379	24.4
222.13853	4.8
223.11121	4.0
223.14832	14.3
224.15450	2.9
225.12692	5.6
225.16368	7.4
227.14221	7.1
227.18008	2.9
229.15765	3.7
229.52377	3.6
231.11812	3.3
232.12303	3.9
233.13217	7.3
233.15395	29.5
234.15904	4.6
235.14748	11.5
236.15129	2.4
237.16429	10.8
237.22057	4.2
238.16771	3.6
239.14383	3.4
239.17906	5.4
244.12457	2.8
245.13319	3.8
247.14639	4.5
248.11569	2.5
248.15431	3.8
249.16566	5.7
251.17906	5.6
251.20232	3.1
253.19594	4.4
255.17464	9.4
256.17822	3.8
259.14896	8.0
261.16348	5.5
263.17950	6.9
265.19647	7.2
265.80902	2.3
267.17560	4.2
269.18893	6.4
269.21368	4.4
271.20435	3.7
273.18704	3.3
275.17905	6.4
277.19504	4.4
279.23077	3.2
281.19009	4.8
283.20636	7.1
285.18649	5.5
287.20187	5.4
289.19247	3.9
291.17499	2.6
295.20547	5.6
297.24295	5.7
299.20200	3.9
301.21631	3.0
305.22580	2.8
307.20514	4.3
313.21725	2.9
349.24792	2.7
361.24606	3.5
396.27188	2.4
565.40417	3.3
583.40973	7.9
601.41614	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.0
55.05502	14.1
55.92631	4.5
57.07072	11.7
58.48235	4.7
65.03934	6.4
67.05515	32.2
69.03442	9.2
69.07066	24.7
69.28683	46.7
73.86974	4.9
79.05484	25.9
81.07061	57.6
83.08627	9.7
89.06018	10.8
91.05062	4.2
91.05493	50.2
93.07050	69.6
95.04958	23.1
95.08611	46.2
95.45335	4.9
97.06516	6.6
97.10150	8.3
103.05453	5.2
105.07034	87.4
107.08597	40.1
109.06503	14.7
109.10163	23.0
111.08028	7.1
113.33008	6.3
117.07010	19.4
119.08585	100.0
121.06535	5.8
121.10168	51.2
123.08057	26.0
123.11729	6.5
128.06194	11.9
129.06998	16.7
130.07787	6.9
131.08595	48.6
133.10150	54.9
134.10880	5.3
135.08032	13.5
135.11694	31.4
137.09605	11.6
142.07785	15.6
143.07562	5.4
143.08572	34.4
144.09370	13.0
145.10127	85.6
146.10875	6.0
147.08049	12.4
147.11674	22.5
149.09604	9.6
149.13254	8.2
151.07558	10.2
151.11160	5.4
155.08557	11.9
156.09309	14.9
157.10115	43.2
158.10857	11.9
159.08037	7.1
159.11710	46.4
161.13210	15.7
163.11008	5.1
165.09114	25.4
167.10693	4.9
169.10129	26.3
170.10902	5.2
171.11757	30.8
173.13274	22.0
174.42671	4.7
175.11189	7.4
175.14848	17.6
181.10104	17.2
183.11681	24.6
185.13231	21.5
187.14780	13.8
189.12805	8.7
191.14288	8.1
193.10146	8.3
194.10907	9.7
195.11714	21.0
197.13260	23.8
199.14793	12.2
201.12608	5.1
201.16457	8.1
203.14227	9.1
207.11671	9.4
207.13760	6.0
209.13234	22.4
210.14014	6.8
211.14787	15.3
212.15543	5.4
221.13318	9.0
221.15361	39.8
222.15791	6.4
223.14803	12.5
225.16499	5.9
235.14626	6.5
237.16399	7.8
252.62950	6.4
265.19537	7.3
338.26056	21.4
476.36319	13.3
491.34912	8.3
541.39703	7.2
568.43085	33.7
583.41760	8.2
601.41913	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	601.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.1
55.01866	4.4
55.05516	29.3
57.03459	3.2
57.07084	21.5
59.05004	4.1
65.03919	3.6
67.05173	5.3
67.05505	52.5
69.03435	27.5
69.07085	27.1
69.37548	12.4
69.37970	13.6
71.04992	8.8
71.08627	7.6
78.26904	3.1
79.05497	46.0
81.03398	7.4
81.07070	57.1
83.04990	21.1
83.08621	21.1
85.06544	11.9
85.10182	3.9
87.04479	4.0
87.67454	3.5
88.78464	3.2
91.05486	59.7
93.06474	5.6
93.07047	93.9
94.07366	3.8
95.04984	20.8
95.08050	6.1
95.08611	63.7
97.06542	12.3
97.10182	7.2
98.20776	7.7
103.05482	3.5
105.07039	93.6
106.07352	7.3
107.04996	3.5
107.08601	70.0
109.06546	19.6
109.10170	40.4
111.04459	16.7
111.08109	5.9
111.09691	3.6
111.11742	4.6
113.09641	4.0
115.05471	8.5
117.07020	22.2
119.08596	90.8
120.08939	7.6
121.06517	13.2
121.10152	100.0
122.10513	3.2
123.08080	23.8
123.11712	19.3
125.05996	6.6
125.09637	13.1
128.06207	11.0
129.05510	21.0
129.07019	23.1
130.07809	7.9
131.08580	36.9
133.10144	62.3
134.10464	3.7
135.08063	24.0
135.11685	30.2
137.09605	10.0
137.13266	5.2
139.07549	3.2
139.11188	5.3
141.06981	6.8
142.07774	25.5
143.08560	42.6
144.09290	11.4
145.06403	3.7
145.10136	78.6
147.08119	21.8
147.11688	25.2
149.09654	23.0
149.13284	7.0
151.07539	9.2
151.11156	5.2
153.09142	3.7
154.07722	4.2
155.08554	20.7
155.10652	3.2
156.09351	15.6
157.10136	53.7
158.10759	13.1
159.08055	11.0
159.11719	38.3
160.05231	3.8
160.08810	3.7
161.09644	16.7
161.13263	9.1
163.11186	12.9
165.06987	5.6
165.09117	43.8
166.09546	3.9
167.08609	6.2
167.10680	42.3
169.10143	31.9
170.10878	9.3
171.11711	33.6
172.12317	5.4
173.09662	6.8
173.13278	19.1
174.10277	5.2
175.11203	16.0
175.14832	11.4
179.08554	12.6
181.10118	11.4
181.12228	13.2
182.10921	6.6
183.11726	28.4
184.12389	5.0
185.09715	4.7
185.13226	24.9
186.13821	4.9
187.11122	4.3
187.14862	8.5
189.12733	11.7
189.16501	5.0
190.13464	4.8
191.14326	7.9
191.17929	14.8
192.09422	5.5
193.10115	9.4
193.12263	7.4
194.11006	7.8
195.11638	16.1
196.12431	4.8
197.13278	24.0
198.10265	3.4
199.11032	4.2
199.14842	10.5
203.14307	20.3
204.14555	4.2
205.10077	5.0
206.11053	4.4
207.11694	14.1
207.13795	9.1
208.12424	7.8
208.14346	3.7
209.13324	22.3
209.14999	5.3
209.18996	15.5
210.13916	5.4
211.11244	4.0
211.14815	13.4
213.12769	5.4
215.14345	4.4
215.18207	3.7
217.10124	4.5
219.11642	7.8
219.21130	10.4
220.12410	5.6
221.13315	12.7
221.15356	85.8
222.15718	14.0
223.14798	15.1
224.15361	5.3
225.12714	4.0
225.16261	6.5
227.14404	5.2
231.11679	5.0
233.13312	7.3
233.15382	21.3
235.14838	8.8
236.71346	4.0
237.14569	4.3
237.16612	5.8
237.22096	11.8
238.15021	5.5
239.17987	4.1
245.13203	4.2
247.14746	5.9
247.17049	5.9
249.16367	9.1
251.17815	5.0
251.20216	7.8
256.17865	3.5
265.19598	6.0
267.17374	3.3
269.21323	18.0
269.62512	3.6
273.16006	4.3
275.17798	7.2
277.19284	5.4
279.23187	6.4
283.20526	9.4
286.19238	7.8
287.19952	11.6
288.20389	4.9
291.21082	3.4
297.24393	21.3
300.20691	4.6
301.21722	8.0
303.19495	9.9
304.19873	11.1
312.20761	6.0
313.21295	6.2
331.24707	3.6
352.23962	18.0
353.24402	20.7
365.24631	5.9
366.25180	4.8
367.26749	4.0
373.25412	3.5
503.34656	5.7
506.33453	4.5
508.34735	4.2
521.35822	10.7
565.40698	5.9
583.41272	11.2
601.42755	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	601.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93054	3.1
53.03951	6.3
53.54119	3.1
55.05514	25.6
57.07064	8.6
61.54910	3.3
62.74576	3.2
64.07732	3.3
65.03935	5.6
67.05510	41.4
69.03425	14.9
69.07086	16.5
70.66188	4.1
70.66525	7.5
71.04988	5.1
79.05496	43.8
81.07067	46.8
83.04988	16.4
83.08637	17.9
85.06556	10.0
91.05482	62.0
93.07052	83.0
95.04974	18.1
95.08612	42.4
97.06517	13.0
97.10167	3.6
103.05488	5.7
105.04440	4.3
105.07037	100.0
106.07357	5.6
107.04942	4.1
107.08606	79.7
108.08909	3.4
109.06512	11.8
109.10161	30.2
111.04414	4.9
113.09589	5.5
115.05465	10.5
117.07005	25.9
119.08587	94.1
121.06497	13.7
121.10154	83.1
123.08056	15.5
123.11706	15.0
125.09610	14.7
128.06201	10.8
129.05492	5.6
129.07004	21.6
130.07819	9.7
131.08578	41.2
133.06543	5.1
133.10143	64.0
134.10455	5.2
135.08052	11.2
135.11655	21.3
137.09634	10.2
139.11136	7.0
141.06999	11.0
142.07811	25.7
143.08592	41.7
144.09323	11.7
145.06480	6.0
145.10127	78.1
146.07281	3.4
147.08052	12.9
147.11688	22.6
149.09633	19.4
149.13252	5.3
151.07495	5.9
155.08598	17.3
155.10645	8.3
156.09343	14.7
157.10155	59.3
158.10878	10.7
159.08046	18.2
159.11711	34.8
160.08702	5.7
160.12114	5.9
161.09590	14.0
161.13235	9.0
163.11218	10.7
165.06970	9.5
165.09096	8.0
166.07680	3.9
167.08527	10.9
167.10715	58.3
168.09363	8.3
169.10144	27.6
170.10814	7.0
171.08174	4.3
171.11693	32.9
172.12141	3.7
173.09644	7.1
173.13277	23.0
175.11194	14.7
175.14830	10.7
179.08559	12.6
180.09360	6.5
181.10081	16.0
181.12193	6.0
182.10925	9.5
183.11731	29.1
185.09575	7.2
185.13303	25.2
187.11131	5.5
187.14848	12.0
189.12799	7.8
191.14400	8.6
192.09409	4.5
193.10121	13.3
194.10788	10.5
195.11710	27.8
196.12358	5.1
196.21111	3.6
197.13300	27.0
197.44029	3.4
199.11151	4.4
199.14780	13.0
201.12819	4.2
201.16385	4.8
203.14346	8.3
205.09935	5.4
206.11047	4.8
207.11714	14.4
208.12404	11.0
209.13318	27.5
209.15230	6.2
211.14809	18.4
213.12781	7.6
213.16438	7.3
215.14319	7.8
216.14902	3.5
219.11685	8.1
220.12492	6.6
221.13220	17.2
221.15404	20.4
223.14819	14.3
225.12740	4.9
225.16428	10.6
226.16911	3.5
227.14317	5.8
229.15802	5.8
231.11658	3.6
233.13321	7.7
233.15340	34.9
234.15993	5.1
235.14758	13.5
237.16472	5.6
245.13167	4.8
246.14082	5.3
247.14755	6.6
249.16368	7.5
255.17514	7.7
261.16327	7.3
263.17935	10.4
265.19507	6.2
267.17276	4.3
269.18973	11.4
273.16220	3.8
277.19733	5.3
281.19067	8.6
283.20709	5.2
293.19180	3.7
295.20782	4.6
299.20145	6.1
583.41028	9.6
601.42114	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	601.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64507	3.0
53.03949	11.0
55.05516	23.3
57.07081	33.9
59.05005	8.1
65.03944	3.6
66.91444	3.3
67.05173	5.4
67.05506	62.3
69.03435	24.5
69.07066	37.1
70.79346	8.2
71.04987	17.7
71.08633	15.1
78.37711	3.2
79.05492	48.0
81.07056	69.7
83.04989	22.0
83.08636	21.1
85.06541	7.7
85.10181	10.5
91.05480	53.3
93.07050	90.6
95.04977	28.2
95.08607	61.0
97.06527	14.6
97.10175	6.7
102.47167	3.3
103.05460	7.5
105.07035	100.0
106.07372	7.7
107.08603	76.8
109.06541	20.2
109.10164	37.8
111.04451	15.3
111.08074	9.3
111.11687	4.5
117.07030	19.9
119.08588	80.9
120.08894	7.0
121.06510	11.4
121.09326	6.9
121.10151	85.8
123.08072	14.9
123.11710	15.6
125.05959	6.8
125.09627	12.4
125.49856	3.4
128.06218	13.5
129.05501	25.9
129.07014	20.3
130.07791	5.2
131.08565	39.5
133.06425	7.9
133.10144	43.8
135.08067	23.3
135.11708	31.5
137.09610	14.1
139.07600	3.1
141.07018	7.0
142.07803	18.8
143.08591	39.8
144.09236	6.4
145.10129	64.7
146.10519	5.8
147.08080	20.2
147.11710	20.9
149.09616	15.7
149.13258	8.1
151.07535	12.8
153.06985	3.4
153.09114	3.8
154.07697	3.9
155.08568	17.7
155.10611	4.0
156.09355	20.1
157.10144	47.5
158.10701	12.0
159.08023	7.5
159.11700	31.2
161.09689	16.6
161.13257	6.5
162.10033	4.6
163.11189	15.7
165.09132	45.5
167.08554	8.7
167.10706	35.5
168.09328	5.7
169.10110	22.5
169.15869	5.2
170.10869	10.5
171.11700	28.4
172.12254	4.8
173.09631	7.5
173.13246	22.1
175.11226	15.2
175.14839	7.9
179.08600	7.6
181.10100	13.1
181.12260	15.8
182.10918	6.6
183.11755	22.4
184.12286	4.4
185.09630	5.9
185.13298	18.4
186.13733	3.3
187.11177	7.4
187.14919	7.2
189.12759	12.1
190.13307	4.4
190.19780	3.8
191.17992	17.4
193.10045	11.0
194.10837	7.3
195.11655	18.9
196.12274	7.1
197.13257	16.8
198.86220	3.4
199.11084	5.2
199.14847	10.8
201.12712	7.2
203.14366	16.8
206.10876	7.0
207.11639	18.1
207.13753	9.3
208.12357	6.0
208.14488	6.2
209.13223	20.6
209.15131	5.1
209.19005	24.6
210.13841	4.2
211.11024	5.3
211.14851	12.6
212.15245	5.6
213.12794	5.2
213.16411	7.2
215.14444	5.4
217.15915	4.7
219.11652	5.7
219.21132	11.9
220.12360	4.4
221.13197	10.5
221.15337	58.8
222.15778	9.9
223.14798	11.7
225.16429	5.6
227.14301	5.8
229.15907	4.6
233.13254	6.5
233.15395	17.7
233.18800	5.2
234.16153	5.9
235.14676	7.9
237.14784	10.5
237.22144	17.2
239.17996	7.0
245.13177	5.3
246.14101	3.8
247.14703	5.2
247.16946	7.7
251.20119	6.8
255.17506	5.9
261.16400	6.8
265.19519	6.4
269.18640	5.8
269.21164	59.4
271.20416	4.2
272.17468	4.0
275.17889	4.5
279.23221	6.9
283.20480	4.0
286.19165	5.4
287.19995	7.9
297.24304	49.7
299.19943	6.1
300.20840	7.0
301.21927	5.4
303.19595	10.9
304.19855	8.2
311.20047	4.1
313.21423	4.4
325.21240	4.1
352.23950	14.6
353.24457	28.4
365.24698	6.4
366.24954	4.7
383.40182	4.9
491.34949	4.5
508.35437	5.3
509.34735	5.4
521.35718	14.7
583.40997	10.7
601.42584	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	601.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
63.53571	0.3
69.03429	0.5
69.65363	1.5
85.02904	0.7
95.01096	0.5
95.08621	0.3
96.01882	0.5
97.02671	0.5
97.90306	0.3
105.07024	0.4
113.02148	0.8
125.02156	0.5
127.03797	0.5
128.04451	0.4
131.08459	0.3
141.05299	0.3
157.04726	0.4
169.04768	0.7
185.04263	0.9
186.05043	0.7
201.03741	0.4
292.03363	0.3
297.07678	0.3
339.17706	1.6
380.16647	0.3
421.22064	3.8
423.23474	2.0
427.66418	0.4
439.23114	4.2
601.28375	100.0
602.28687	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.9
55.01884	1.4
55.05299	1.1
55.05511	11.5
57.07079	12.2
59.04992	3.0
65.03925	2.1
67.05511	22.7
69.03436	8.8
69.07072	13.4
71.04993	3.2
71.08645	2.5
71.25686	2.5
73.42101	1.5
79.05498	24.0
81.07071	31.9
81.48657	1.3
83.04990	7.5
83.08630	7.9
85.06541	4.1
85.10188	1.4
91.05483	28.3
92.05811	1.2
93.06477	2.2
93.07058	43.2
94.07370	2.3
95.04994	8.8
95.08616	30.3
96.05299	1.2
97.06510	4.1
97.10182	2.6
103.05442	1.4
105.07044	44.0
107.04945	3.1
107.08605	29.7
109.06514	11.5
109.10167	13.7
111.04436	4.0
111.08080	3.0
111.11739	1.7
117.07027	10.9
119.08598	46.8
120.08878	1.9
121.06511	5.2
121.10155	38.6
123.08071	17.6
123.11726	4.8
125.06028	6.4
128.06215	3.2
129.05481	4.1
129.07048	6.0
130.07780	2.3
131.08583	23.4
132.08844	1.2
133.06505	2.7
133.10146	20.2
135.08070	13.5
135.11719	16.7
137.05997	2.4
137.09607	15.2
137.13194	2.8
139.07579	2.5
141.07010	4.3
142.07817	6.7
143.08574	13.5
144.09311	3.7
145.06473	1.5
145.10136	34.7
146.07140	1.7
146.10461	3.2
147.08055	23.4
147.11691	8.3
148.08499	1.7
149.09662	7.2
149.13249	4.7
151.07555	12.7
153.06937	1.3
153.09120	3.2
154.07831	2.1
155.08572	6.6
156.09328	4.8
157.10152	22.9
158.10727	2.5
159.08090	2.9
159.11726	17.0
160.12120	2.6
161.09692	8.1
161.13277	8.7
163.11224	11.0
163.14862	1.7
165.07051	2.4
165.09132	52.6
166.09477	3.1
167.08591	1.7
167.10687	2.0
168.09392	2.6
169.10123	8.7
170.10864	2.1
171.11708	12.8
172.12134	1.6
173.09598	3.2
173.13332	8.7
174.10352	1.3
175.11246	6.2
175.14807	5.7
176.11497	1.6
177.09166	2.2
179.08539	2.9
181.10106	3.5
181.12282	10.7
182.10895	1.7
182.12573	1.6
183.11708	10.3
184.12285	1.6
185.13300	8.0
186.10323	1.5
187.11212	3.0
187.14857	6.6
188.15224	1.8
189.12704	6.5
189.16400	1.8
190.13383	1.8
191.14198	3.1
191.17982	7.6
193.10158	3.3
193.12137	3.2
194.10883	2.0
195.11646	8.2
195.13863	1.5
196.12352	2.8
197.13310	8.0
198.13391	1.7
199.11131	1.6
199.14835	2.6
200.11702	1.5
201.12720	3.1
201.16196	1.6
203.14340	21.4
204.14679	1.7
207.11659	3.4
207.13805	7.0
208.12418	3.2
208.14363	2.8
209.13266	6.7
209.14998	2.3
209.19046	6.9
210.13803	2.1
211.11232	1.9
211.14760	6.1
213.12735	2.0
213.16431	1.7
215.14325	2.9
215.17947	2.4
219.11670	2.3
219.13811	2.5
219.21124	8.7
220.12421	2.2
221.13544	3.8
221.15373	100.0
222.13800	2.0
222.15712	10.2
223.11023	1.3
223.14842	4.4
225.12715	2.9
225.16405	3.2
227.14444	1.6
233.13200	1.9
233.15311	2.5
233.19077	2.0
234.16138	4.1
235.14595	1.6
235.16727	1.8
237.16434	2.1
237.22206	8.3
239.14333	2.3
239.17932	1.9
241.15872	2.1
243.21071	2.8
247.14748	1.4
247.17015	6.5
248.17332	5.8
249.16322	3.1
251.14233	1.4
251.17834	1.7
251.20103	4.7
253.15892	1.9
259.14725	1.9
265.19635	2.3
267.17157	1.7
269.21170	4.5
271.17078	1.9
274.19321	3.3
279.23175	4.1
283.20490	1.9
287.20190	6.6
299.20010	4.3
300.20605	5.8
301.21613	5.0
311.19873	2.0
312.20850	2.1
313.21463	3.8
325.21741	1.9
326.22079	2.3
340.23651	3.2
341.24481	1.6
352.23865	4.6
353.24390	4.2
362.22421	1.4
366.25391	1.5
367.26169	8.0
375.26978	1.9
393.27792	3.2
403.29935	1.7
419.29333	1.6
420.29791	4.0
421.30701	1.6
426.27167	1.8
427.28333	2.3
428.28513	2.8
440.29208	4.0
441.29483	10.5
491.35272	8.9
503.35373	1.5
509.36020	4.6
520.34937	1.9
521.36035	8.0
583.41345	9.1
586.39661	1.8
601.42474	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
62.99317	0.3
64.72091	0.3
65.03941	0.5
65.29078	0.3
66.04710	0.4
67.05503	1.8
68.05008	0.6
69.03410	0.4
69.06735	0.4
69.07066	4.0
72.40856	0.3
77.03970	0.3
79.05470	1.0
80.04990	0.5
81.03419	0.7
85.02869	0.5
91.05476	1.4
93.05781	0.7
93.07020	0.9
94.06569	4.7
95.04954	1.1
96.04472	0.4
100.34082	0.3
105.05721	0.5
105.06998	0.6
106.06567	2.1
107.07348	0.5
108.08110	2.1
110.06047	0.5
112.07578	0.9
117.05709	0.3
118.06526	0.9
119.08541	0.4
120.04440	0.8
120.08102	1.8
121.05215	0.6
122.05163	0.7
122.06030	12.5
123.04421	0.3
124.07561	0.5
127.03912	0.3
130.06540	0.5
132.08054	0.9
134.05994	2.0
136.07578	16.5
138.05486	0.8
140.07068	21.6
144.04434	0.6
144.08076	0.5
146.06009	19.5
146.09622	1.7
147.06767	0.9
148.07574	21.8
149.08342	0.6
150.05453	0.3
150.09099	1.0
152.07082	2.9
154.05002	0.5
154.08600	0.5
158.05966	0.5
160.07587	0.4
162.05469	0.6
164.07063	9.4
166.08659	3.3
172.03917	2.1
173.04727	1.6
174.05521	9.5
174.09120	2.5
176.07072	17.2
177.07707	0.4
190.04991	6.3
191.05743	0.9
192.06607	1.8
196.09808	0.4
197.10712	1.2
198.09138	0.4
199.08646	0.3
200.07030	0.4
201.06709	0.4
207.09175	0.4
208.09798	0.4
209.10724	1.5
210.11481	2.0
211.08612	0.6
211.12314	1.4
212.09258	0.6
212.12939	0.6
213.10251	0.7
216.10202	0.8
218.08151	2.1
220.09923	0.4
221.10580	2.1
222.11440	0.6
223.08640	0.4
223.12247	3.0
224.09399	2.2
224.13039	1.0
225.10262	4.6
225.13815	0.7
226.10960	0.5
227.11710	1.6
229.13374	1.1
232.09944	0.4
233.10643	0.4
234.11494	0.6
235.08585	2.0
235.12291	2.8
236.09279	1.8
236.13034	1.8
237.10194	12.7
237.13667	1.8
238.10997	15.7
239.11784	9.8
240.12355	0.3
241.09732	1.1
243.11322	0.7
244.09834	0.5
246.07616	1.2
247.08696	0.5
247.12210	0.8
248.09312	2.0
249.10233	6.2
250.11018	5.3
251.11801	14.1
252.08955	0.7
252.12456	2.1
253.09721	0.8
253.13295	2.7
253.15526	0.4
255.11320	1.3
261.10135	0.8
261.12421	4.8
262.10944	1.2
263.08185	1.1
263.11813	13.0
264.08932	2.7
264.12543	3.4
265.09790	5.0
265.13345	33.3
266.10596	1.8
266.13968	1.9
267.11331	4.7
267.14215	0.6
268.12064	0.9
269.12787	1.5
270.10605	0.3
270.13776	0.4
271.14423	12.6
275.11829	2.4
276.12814	0.5
277.09705	4.0
277.13315	2.7
278.10495	4.5
279.11267	100.0
280.11996	6.8
281.12790	3.3
282.10333	0.4
282.13623	1.3
283.10751	4.1
283.14355	1.2
284.11551	1.4
285.12375	3.4
286.13181	0.4
287.13901	10.7
289.15463	0.6
291.11261	6.1
292.12161	1.8
293.12814	7.4
294.13620	2.3
295.10791	2.5
295.14413	1.9
296.11551	6.5
296.15021	0.6
297.12335	68.4
298.13095	7.5
299.13858	0.7
303.11203	0.7
307.10724	0.6
309.12332	45.2
310.13101	23.3
311.10568	0.6
311.13870	3.9
312.14218	0.4
313.11810	9.9
315.13440	1.6
319.10779	5.1
320.11316	0.7
321.12347	9.7
322.13257	0.6
323.06738	0.5
323.10269	2.6
323.13693	0.6
324.11081	4.4
325.11789	8.1
326.12714	0.8
330.12460	0.5
330.16040	0.4
331.12888	4.7
337.11819	62.6
338.12585	28.7
339.13394	63.0
340.14090	3.1
341.15344	0.5
344.13943	0.9
354.16492	0.5
356.17380	0.4
358.15402	0.8
360.17111	0.5
369.15216	0.4
370.12918	0.6
372.17142	0.6
386.14938	0.4
387.15839	0.7
388.16351	0.5
392.19586	0.7
396.17117	0.6
400.16443	2.7
401.17145	0.6
402.18063	0.9
414.18158	1.2
416.19632	0.9
418.17560	2.0
419.18439	0.8
420.19189	0.6
424.16800	1.1
432.19189	1.0
434.20709	1.4
437.19504	0.9
438.20233	5.1
442.17688	6.3
443.17770	1.2
450.20438	2.8
460.18680	75.3
461.19385	5.5
462.20215	1.1
464.18265	2.5
465.18893	0.9
466.19763	2.5
478.19733	53.3
479.20343	3.4
480.21320	9.8
550.07581	0.3
559.25885	0.4
583.25525	4.0
601.26428	24.9
621.78345	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	73.9
61.01770	1.3
71.34284	2.5
74.97594	4.2
84.96031	22.8
86.97610	1.5
91.05496	10.6
98.97592	52.6
102.97026	2.0
110.97567	15.6
114.97079	2.7
116.98631	19.4
119.04948	16.3
121.18158	1.3
124.99130	2.7
128.98589	12.9
132.98102	6.2
134.54105	1.4
134.72148	1.4
134.99612	3.6
142.64072	1.4
143.00169	10.9
146.99658	4.9
147.04414	51.3
150.99217	7.8
158.99709	12.0
161.01201	4.3
173.04840	2.0
174.99202	3.5
177.00720	6.7
177.02155	3.0
181.01665	1.8
188.07065	2.3
191.00092	7.4
191.05812	3.7
193.00214	7.8
195.03314	13.7
203.00079	11.2
205.01764	3.7
209.01321	3.3
213.04379	9.8
219.05371	2.5
221.01241	44.9
223.02780	5.0
231.05284	1.9
235.02867	7.8
239.02296	100.0
245.01210	9.5
247.04913	2.4
248.99133	4.2
253.03882	8.2
257.01489	2.3
257.03406	29.1
262.04099	1.9
263.02252	31.4
267.00162	10.6
271.05371	1.7
275.02194	3.2
279.01855	18.9
281.03305	34.9
285.01279	4.7
289.03790	3.4
297.02933	9.3
299.04379	6.4
303.01517	1.7
306.99707	11.8
307.04770	2.3
321.02798	9.0
325.00830	22.7
333.06393	5.6
335.00992	1.7
347.07303	2.2
349.02286	5.2
351.07440	5.5
361.04242	4.3
367.03531	3.9
377.01703	10.9
379.05463	7.0
391.06885	2.3
393.06744	2.0
395.02878	93.9
409.07947	4.5
412.98810	3.0
413.03955	38.9
418.04364	1.9
437.06445	7.9
453.03403	2.6
455.07184	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	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.4
55.05508	6.6
57.07073	14.4
65.03955	4.4
65.24030	3.6
67.05501	19.5
69.03423	9.3
69.07063	9.6
70.59447	8.2
79.05490	17.3
79.41373	3.2
81.07060	28.6
83.04997	8.1
83.08616	3.8
84.01259	3.5
85.06557	8.7
89.06059	19.3
91.05483	40.3
93.07072	40.0
95.04959	10.7
95.08606	27.4
97.06514	11.5
103.05434	4.5
105.07047	62.3
107.08601	33.0
109.06519	14.4
109.10168	10.6
117.07005	18.0
119.08591	67.4
121.06499	7.6
121.10155	29.7
123.08089	24.0
125.06009	15.6
128.06213	5.2
129.07004	11.1
130.07753	4.7
131.08578	31.4
133.06502	5.8
133.08609	10.4
133.10123	26.0
135.08043	23.1
135.11670	9.7
137.09619	13.6
138.94539	4.1
141.07011	5.6
142.07758	14.9
143.08578	26.1
144.09389	7.0
145.06555	6.2
145.10143	43.8
147.08044	37.2
147.11697	11.3
148.08556	3.6
149.09657	13.5
151.07558	16.4
154.07660	3.6
155.08554	11.5
156.09383	10.6
157.10144	45.7
158.10709	5.0
159.08098	7.7
159.11725	28.3
160.08838	5.5
161.09639	13.9
161.13268	8.1
162.10362	4.0
163.11169	23.4
165.09123	52.1
166.09352	3.6
169.10107	21.4
170.10896	8.6
171.11717	21.8
173.09610	10.0
173.13274	12.8
175.11195	27.9
177.09122	5.9
177.11293	5.2
177.12712	4.7
178.09822	5.3
180.09282	4.5
180.11559	6.2
181.10115	9.8
181.12228	22.1
182.10855	6.6
182.58862	3.3
183.11679	17.2
184.58858	3.6
185.09616	5.7
185.13271	12.4
187.11119	5.7
187.14783	5.3
189.12811	7.5
190.13536	12.4
191.10664	5.6
193.10304	3.4
193.12259	12.5
193.29451	3.5
194.10988	5.3
195.11711	14.5
196.12450	4.2
197.13327	16.7
198.13930	3.7
199.14851	5.9
201.12756	10.0
203.14342	25.3
207.11798	6.8
207.13849	12.6
208.12553	8.1
208.14589	11.1
209.13263	10.8
211.14777	8.8
213.60440	4.0
219.11777	4.7
219.13832	9.2
221.13295	10.5
221.15350	100.0
222.15747	4.8
223.11275	4.9
223.14816	6.4
225.12769	4.0
227.14299	3.9
229.15919	5.7
233.15390	5.9
234.13977	5.7
234.16035	21.2
237.12770	4.4
237.16235	4.2
241.15881	6.5
247.16974	34.0
248.17706	5.8
259.14651	4.6
259.17050	9.4
269.15662	3.4
274.19296	16.7
285.18509	5.4
287.20020	12.5
297.18680	6.1
299.20248	18.3
312.20804	8.5
313.21619	7.2
325.21677	14.9
325.97986	4.0
327.22968	3.9
337.21790	8.1
339.23529	6.9
340.23959	23.7
352.23990	33.0
365.24954	5.9
379.26001	4.3
387.25601	6.2
413.26648	6.3
419.29572	6.6
420.30298	6.1
425.26932	10.6
426.27869	6.4
427.28845	17.2
440.29269	46.8
442.30933	6.1
454.30591	4.7
465.16547	3.5
520.35706	27.7
600.41724	37.6
600.55554	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	600.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18657	1.4
53.03944	2.6
55.05513	6.5
57.07078	15.0
59.05006	4.3
64.95155	1.3
65.03944	3.1
67.05515	12.9
69.03429	10.8
69.07072	7.9
70.06586	1.9
71.55846	1.6
79.05490	17.5
81.07068	22.4
83.04983	8.0
83.08617	1.9
85.06560	5.4
86.12825	1.5
89.06036	8.3
91.05482	31.4
92.06257	2.4
92.65623	1.5
92.75978	1.6
93.07052	36.1
95.04987	11.6
95.08617	24.1
97.06534	6.1
103.05446	2.1
105.07042	53.7
106.07872	2.8
107.08598	25.3
109.06514	16.1
109.10178	9.6
111.08082	2.7
115.05460	3.9
116.06237	2.0
117.07009	14.4
119.08588	63.9
120.09375	4.2
121.06509	8.9
121.10153	24.8
122.07323	1.5
123.08085	20.8
123.11789	1.6
125.06015	12.1
128.06248	6.4
129.06990	11.7
130.07825	4.9
131.08582	26.8
132.09322	3.7
132.46687	1.6
133.06528	4.7
133.08644	3.5
133.10135	29.1
133.11093	2.2
134.10912	2.9
135.08061	19.9
135.11688	7.7
137.05919	3.5
137.09647	15.3
139.07523	3.1
141.07004	4.5
142.07779	13.4
143.08574	29.7
144.09364	9.2
145.06500	2.5
145.10139	42.3
147.08060	32.9
147.11697	7.3
148.08765	1.7
149.09627	14.7
151.07553	14.6
151.11143	3.1
153.07004	2.0
154.07825	2.2
155.08578	13.6
156.09378	8.2
157.10143	40.0
158.10944	7.6
159.08119	7.3
159.11716	27.3
159.88628	1.7
160.08771	2.3
160.12212	1.7
161.09671	13.6
161.13257	8.0
163.11203	21.5
165.06984	3.5
165.09131	55.0
165.10522	2.7
166.09462	3.5
167.08572	4.6
168.09366	4.1
169.10129	19.3
170.10875	6.7
171.08160	2.1
171.11725	22.2
172.12479	3.6
173.09648	9.7
173.13261	9.2
174.10416	2.0
175.11192	24.6
175.14822	3.7
177.09117	4.0
177.11307	2.2
177.12759	2.8
178.09908	4.4
179.08575	3.8
179.10596	2.7
180.09134	1.7
180.11481	4.0
181.10181	9.0
181.12242	19.8
182.10944	7.1
183.08063	1.5
183.11732	17.2
184.12321	4.3
185.09625	3.2
185.13290	14.0
187.11174	7.8
187.14841	4.4
189.09210	1.9
189.12767	10.4
190.13541	8.8
191.10719	7.0
191.14421	2.9
192.09361	2.5
193.10222	6.7
193.12271	18.6
194.10896	3.5
195.11726	11.8
195.13734	2.2
196.12447	5.7
197.09659	5.0
197.13269	13.3
198.10429	1.8
198.13861	2.4
199.11217	6.7
199.14914	4.0
200.12021	2.3
201.12753	11.3
203.10611	1.9
203.14328	19.8
204.14752	2.3
206.11066	3.1
207.11714	4.6
207.13849	11.5
208.12561	3.3
208.14616	9.2
209.09697	1.7
209.13263	10.6
209.15086	2.0
210.10362	2.6
211.11246	5.8
211.14786	7.4
213.12779	5.9
213.16379	2.3
215.14369	3.3
216.15004	1.7
217.12259	2.5
219.13831	9.9
221.13359	6.2
221.15378	100.0
222.15718	7.9
223.11273	2.9
223.14899	4.3
225.12770	3.7
225.16367	3.6
227.14308	3.9
229.15967	3.7
231.13802	2.6
233.13277	2.7
233.15353	3.6
234.16165	22.1
235.11205	1.6
235.14780	4.4
237.12737	3.8
237.16473	3.5
239.14311	5.5
239.17889	3.0
241.15799	4.0
243.13904	2.9
245.15399	3.3
246.14044	2.0
246.23709	1.7
247.16972	33.3
248.17499	4.6
249.16316	2.0
251.14459	4.2
251.17856	2.0
253.16006	2.6
255.17653	2.0
259.17038	5.4
260.17923	3.3
261.16299	2.0
263.14465	1.9
263.17926	2.5
265.15765	2.1
267.17453	2.7
269.15247	2.4
271.16946	4.8
273.18552	4.6
274.19366	17.5
279.17468	3.2
281.18967	2.3
283.26291	4.4
285.18411	2.8
286.19348	2.5
287.20102	10.9
297.18619	2.8
298.19580	1.6
299.20129	17.0
300.20886	4.3
307.20450	2.5
309.18622	2.9
310.19382	2.2
311.20129	4.9
312.20892	10.2
313.21661	7.9
323.19815	2.1
325.21631	13.7
327.23282	3.3
337.21692	4.6
338.00885	1.8
339.23224	6.6
340.24057	16.4
352.24014	27.9
365.24786	9.1
366.25507	6.8
377.24789	3.2
379.26245	5.9
387.25507	7.2
391.26157	6.3
392.26971	7.1
393.28064	2.2
400.26395	2.5
402.28186	2.0
413.26688	6.3
419.29486	9.7
420.30182	4.2
425.26953	9.7
426.27679	3.3
427.28473	14.5
440.29239	48.3
442.30957	3.3
507.34207	3.7
508.35468	7.0
520.35547	30.0
520.43048	3.3
521.36279	2.0
582.40118	2.7
585.39227	4.9
587.03070	1.6
600.41644	41.0
600.55505	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	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.5
53.22981	2.3
54.22840	2.2
55.01869	4.0
55.05515	15.5
57.07090	13.4
59.04987	4.5
60.93369	2.7
65.03934	3.9
66.09604	2.6
67.05508	21.4
68.05792	2.6
69.03432	17.0
69.07079	13.0
70.06596	12.2
71.04975	4.3
71.26099	4.0
77.03894	2.4
79.05148	2.8
79.05503	31.0
81.03401	2.6
81.07065	38.4
83.04990	18.6
83.08615	7.9
85.06535	9.9
88.51019	2.7
89.06029	5.6
91.05489	53.9
93.06480	4.2
93.07051	72.4
95.04977	18.3
95.08607	33.1
97.06520	10.0
103.05442	5.3
105.07037	95.6
106.07292	3.2
107.04961	5.4
107.08604	56.4
109.06523	19.3
109.10153	16.6
111.08099	5.7
115.05424	4.6
116.06275	4.6
116.07091	12.5
116.08237	3.6
117.07042	20.9
119.04871	3.8
119.08588	82.6
121.06522	12.1
121.10150	51.8
123.08071	30.7
123.11661	6.0
125.05966	7.2
125.09622	8.5
128.06239	12.4
129.07019	27.4
130.07803	5.9
131.08577	39.8
133.06488	11.0
133.08594	5.4
133.10123	50.7
135.08067	25.6
135.11688	12.2
137.09608	16.8
139.07561	3.8
139.11220	3.2
141.07021	12.1
142.07791	29.2
143.08572	45.6
144.09349	14.0
145.06427	6.4
145.10143	61.5
146.10892	3.9
147.08052	34.9
147.11705	16.7
148.08685	3.4
149.09633	22.2
151.07533	16.5
151.11186	3.1
153.07048	4.6
154.07735	4.1
155.08537	20.5
156.09354	22.1
157.10138	72.0
158.10925	15.0
159.08095	12.9
159.11702	36.8
160.08812	5.8
160.12285	3.4
161.09641	25.0
161.13228	7.0
163.11197	21.7
165.06976	6.2
165.09129	45.2
167.08545	8.3
167.10728	17.1
168.09328	7.1
169.10133	21.8
170.10855	9.6
171.08128	3.6
171.11668	37.6
172.08823	4.5
172.12415	7.4
173.09630	20.1
173.13222	14.4
174.10356	3.3
175.11200	26.2
175.14806	5.6
177.09216	3.5
177.12685	3.6
179.08524	14.3
179.10675	4.2
180.09375	8.8
180.11545	3.2
181.10104	16.8
181.12236	10.3
182.07478	2.7
182.10889	8.8
183.11702	24.1
184.08762	2.9
184.12355	3.6
185.09671	6.6
185.13261	21.6
186.10414	3.0
187.11159	12.0
187.14787	6.2
189.12746	15.5
190.13528	14.2
191.10667	3.5
191.14305	6.9
192.09326	7.1
193.10382	13.2
193.12212	12.3
194.10892	10.3
195.11703	24.6
195.13577	3.3
196.12483	4.3
197.09612	5.7
197.11734	3.3
197.13283	20.1
198.10498	3.1
198.13971	3.1
199.11243	12.0
199.14796	10.6
201.12755	13.3
203.14314	29.7
205.10057	3.5
206.10902	4.6
207.11673	16.6
207.13800	19.8
208.12424	8.1
208.14552	10.1
209.09656	3.0
209.13258	23.3
209.15324	6.1
210.13884	5.3
211.11179	5.3
211.14897	12.1
213.12691	10.3
213.16327	3.6
215.10675	5.4
215.14363	6.5
217.10146	4.7
218.10721	3.9
218.16608	2.9
219.11700	7.1
219.13831	6.4
220.12500	4.5
221.13245	14.2
221.15341	91.7
222.13875	4.1
222.15891	6.0
223.11153	3.4
223.14870	11.9
225.12788	8.2
225.16350	4.9
227.14360	7.1
229.15894	4.1
231.11768	5.3
233.13206	7.0
233.15381	25.3
234.13908	3.7
234.15967	16.5
235.14749	8.8
237.12682	8.5
237.14682	35.8
239.14299	3.3
239.18088	2.9
241.15860	4.8
243.11661	3.7
247.14848	3.5
247.16991	7.5
248.14059	10.6
249.12500	3.1
249.16414	6.7
253.15848	8.1
255.17519	22.5
258.13763	3.6
259.17160	4.9
261.16382	6.6
263.18005	4.3
265.15875	3.6
265.19498	3.1
268.18225	4.0
270.19754	9.1
271.17044	7.1
274.19351	17.4
279.17422	5.9
281.19116	7.8
285.15988	3.7
285.18750	4.8
286.19336	16.3
287.20062	11.9
289.19675	3.2
293.19037	3.2
294.19778	5.7
295.20416	5.1
299.20087	15.8
303.19559	59.6
309.18509	3.4
309.21912	3.2
310.19159	4.5
311.19925	5.5
312.20856	8.9
313.21808	17.2
319.20532	3.3
325.21609	18.0
337.21564	10.1
348.72693	2.5
351.22992	3.9
352.23981	100.0
365.24750	24.3
377.24643	10.5
383.25830	2.7
487.32199	3.2
502.34189	10.1
503.35147	8.3
505.32968	6.0
507.34540	15.2
508.34760	10.5
520.35571	50.8
582.40466	4.0
585.38898	4.6
600.41339	31.1
601.41785	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	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	11.8
57.07072	18.0
66.68927	4.8
67.05511	25.4
69.03442	7.8
69.07058	9.9
70.23817	15.4
70.24204	9.8
71.77712	4.8
79.05488	23.2
81.07062	30.4
83.04973	12.5
83.08619	10.6
85.06536	6.1
87.04443	5.3
87.48886	5.6
89.06032	25.2
91.05494	33.8
92.06243	7.3
93.07034	43.2
95.04982	16.2
95.08612	28.7
97.06522	12.2
105.07030	66.5
107.08588	43.0
109.06522	15.8
109.10134	15.8
117.07030	16.3
119.08587	69.0
121.06516	6.0
121.10155	31.3
123.08083	26.5
125.05976	13.6
126.40711	4.8
128.06239	10.0
129.06970	14.8
130.07690	5.1
131.08600	25.6
133.06502	6.2
133.08606	17.6
133.10162	36.7
135.08044	19.0
135.11679	10.7
137.09621	15.7
141.06960	9.3
142.07780	15.4
143.08585	30.8
144.09302	8.6
145.10121	38.3
147.08044	22.7
147.11745	8.4
149.09613	17.3
151.07520	9.8
155.08578	15.7
156.09343	15.4
157.10112	45.3
158.93150	5.4
159.08093	14.3
159.11699	29.6
160.08904	7.2
161.09636	11.7
161.13197	9.2
163.11220	21.1
165.07001	6.8
165.09132	43.0
167.08475	7.7
167.10556	6.0
169.10104	17.0
170.10829	9.2
171.11679	26.9
172.12476	5.3
173.13268	13.1
175.11183	23.5
177.11290	6.1
179.08672	6.3
180.09210	6.3
181.10088	11.6
181.12225	20.1
182.10957	10.3
183.11690	18.2
185.13258	15.7
187.11131	7.8
189.12740	9.3
190.13461	6.1
191.10712	9.1
192.09180	4.9
193.10284	5.0
193.12256	15.2
195.11697	20.3
197.13239	15.8
201.12614	9.1
203.14304	21.6
207.11583	6.2
207.13786	9.5
208.14450	8.8
209.13327	13.4
211.11125	6.3
211.14833	12.3
221.13391	11.2
221.15388	100.0
223.14745	11.4
225.12737	5.7
225.16302	5.6
231.13849	9.0
234.16064	24.8
235.14761	6.7
237.16464	8.2
241.15860	7.1
247.16898	30.0
255.17628	7.3
274.19241	20.6
286.19345	8.9
287.20114	11.7
297.18338	6.5
299.20099	15.0
303.19528	5.3
307.21063	6.4
312.20834	7.8
313.21420	12.3
315.61520	5.9
325.21646	21.9
339.07617	4.9
340.23935	20.7
352.24091	38.2
365.24719	5.5
419.29312	10.7
425.26651	7.2
426.27582	9.7
427.28241	13.9
440.29410	55.4
520.35553	42.2
585.40063	5.8
600.41980	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	600.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16346	3.5
53.03940	4.9
55.05505	15.3
57.07072	17.4
65.03948	8.2
66.79359	3.5
67.05513	31.8
69.03436	22.4
69.07080	20.4
69.27986	5.9
69.28391	34.4
70.07420	4.8
70.47301	4.0
71.04993	6.4
76.65578	3.6
79.05509	34.9
81.07058	45.4
83.04988	21.9
83.08604	10.4
85.06542	10.3
89.06048	9.4
91.05486	62.8
93.07059	69.2
95.04993	20.6
95.05500	3.8
95.08617	48.3
97.06536	18.0
103.05425	7.1
105.07045	100.0
107.08600	59.6
109.06520	16.6
109.10146	23.6
111.04441	6.3
111.08087	4.7
115.05451	9.8
116.06255	6.3
117.07040	27.0
119.04877	4.9
119.08588	88.4
120.31466	3.6
121.06528	18.5
121.10143	58.6
123.08068	29.0
123.11690	5.0
125.05988	7.2
125.09608	7.9
127.45866	4.3
128.06216	23.8
129.07007	30.3
130.07796	12.4
131.08582	47.6
132.09392	6.6
133.06487	9.8
133.08586	5.8
133.10138	50.8
135.08093	24.8
135.11685	17.8
137.09625	17.6
139.07544	7.5
139.11203	5.5
141.06938	14.3
142.07791	37.1
143.08580	65.0
144.09315	14.9
145.06505	5.7
145.10136	85.9
147.08052	37.9
147.11688	15.2
149.09657	27.9
151.07576	21.2
153.06956	4.1
154.07755	5.1
155.08556	22.0
156.09375	21.3
157.10136	92.2
158.10881	12.0
159.08031	18.3
159.11691	46.9
160.08907	8.4
161.09645	24.2
161.13199	10.6
163.11211	30.3
165.07042	9.0
165.09108	48.8
167.08533	14.1
167.10745	18.4
168.09325	7.0
168.30966	5.1
169.10143	31.4
170.10881	15.9
171.08044	9.2
171.11714	51.8
172.08846	6.4
172.12466	7.0
173.09740	9.4
173.13290	20.3
174.10332	5.0
175.11258	28.0
175.14833	7.8
176.11989	5.4
177.12747	4.2
179.08580	9.5
179.10704	6.3
180.09369	6.2
180.11386	4.5
181.10110	24.2
181.12242	15.9
182.10922	11.3
183.11726	33.5
184.12503	9.6
185.09624	7.9
185.13257	27.6
186.10390	5.2
186.13942	5.6
187.11119	9.3
187.14877	8.7
189.12726	16.6
190.13495	10.8
191.08589	4.8
191.10608	4.3
193.10158	15.5
193.12221	8.1
194.10916	10.9
195.11711	24.0
196.12424	9.7
197.09673	5.8
197.11591	7.4
197.13228	25.9
199.11246	9.7
199.14769	12.7
201.12701	13.8
203.14325	31.2
205.10124	9.1
206.10878	9.0
207.11690	22.2
207.13818	24.4
208.12471	9.7
208.14568	12.8
209.13376	25.7
209.14993	6.7
210.14114	7.1
211.11128	6.9
211.14825	16.5
213.12628	9.4
213.16380	4.5
215.14395	6.2
219.11693	8.0
219.13721	8.9
220.12430	9.9
221.13269	15.5
221.15358	87.8
223.14793	15.3
225.12744	10.6
225.16383	11.4
229.15868	5.2
230.11078	4.3
231.11720	5.2
232.12460	10.0
233.13251	12.4
233.15398	21.0
234.13954	7.0
234.16118	13.2
235.15010	18.1
235.16901	8.8
236.11745	4.3
236.15477	4.0
237.12733	7.5
237.14713	37.2
239.14346	5.2
240.55542	4.5
241.16006	5.3
245.13301	5.3
247.16968	13.5
248.14064	11.8
249.16388	7.6
251.14317	6.5
251.18047	5.3
253.15854	9.2
255.17403	24.7
259.14734	6.8
259.17062	5.8
261.16342	8.1
263.18088	5.2
271.17044	7.9
273.18604	5.3
274.19376	7.7
275.17679	4.0
279.17450	4.8
281.19028	7.7
285.18692	6.0
286.19202	13.1
287.20264	8.0
291.17517	4.5
297.18686	6.9
299.20007	12.3
300.20786	4.9
303.19534	44.2
307.20795	7.0
311.20023	6.4
312.20740	8.2
313.21732	16.7
325.21704	28.8
337.21518	6.0
347.23721	7.9
352.24005	68.5
365.24890	47.9
383.25574	6.2
385.69168	4.8
391.26553	4.7
420.30115	5.3
502.34052	9.5
503.35275	5.5
505.33020	5.4
507.34796	36.2
508.35049	4.9
520.35541	29.1
567.38013	9.8
600.40222	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.5
53.22981	2.3
54.22840	2.2
55.01869	4.0
55.05515	15.5
57.07090	13.4
59.04987	4.5
60.93369	2.7
65.03934	3.9
66.09604	2.6
67.05508	21.4
68.05792	2.6
69.03432	17.0
69.07079	13.0
70.06596	12.2
71.04975	4.3
71.26099	4.0
77.03894	2.4
79.05148	2.8
79.05503	31.0
81.03401	2.6
81.07065	38.4
83.04990	18.6
83.08615	7.9
85.06535	9.9
88.51019	2.7
89.06029	5.6
91.05489	53.9
93.06480	4.2
93.07051	72.4
95.04977	18.3
95.08607	33.1
97.06520	10.0
103.05442	5.3
105.07037	95.6
106.07292	3.2
107.04961	5.4
107.08604	56.4
109.06523	19.3
109.10153	16.6
111.08099	5.7
115.05424	4.6
116.06275	4.6
116.07091	12.5
116.08237	3.6
117.07042	20.9
119.04871	3.8
119.08588	82.6
121.06522	12.1
121.10150	51.8
123.08071	30.7
123.11661	6.0
125.05966	7.2
125.09622	8.5
128.06239	12.4
129.07019	27.4
130.07803	5.9
131.08577	39.8
133.06488	11.0
133.08594	5.4
133.10123	50.7
135.08067	25.6
135.11688	12.2
137.09608	16.8
139.07561	3.8
139.11220	3.2
141.07021	12.1
142.07791	29.2
143.08572	45.6
144.09349	14.0
145.06427	6.4
145.10143	61.5
146.10892	3.9
147.08052	34.9
147.11705	16.7
148.08685	3.4
149.09633	22.2
151.07533	16.5
151.11186	3.1
153.07048	4.6
154.07735	4.1
155.08537	20.5
156.09354	22.1
157.10138	72.0
158.10925	15.0
159.08095	12.9
159.11702	36.8
160.08812	5.8
160.12285	3.4
161.09641	25.0
161.13228	7.0
163.11197	21.7
165.06976	6.2
165.09129	45.2
167.08545	8.3
167.10728	17.1
168.09328	7.1
169.10133	21.8
170.10855	9.6
171.08128	3.6
171.11668	37.6
172.08823	4.5
172.12415	7.4
173.09630	20.1
173.13222	14.4
174.10356	3.3
175.11200	26.2
175.14806	5.6
177.09216	3.5
177.12685	3.6
179.08524	14.3
179.10675	4.2
180.09375	8.8
180.11545	3.2
181.10104	16.8
181.12236	10.3
182.07478	2.7
182.10889	8.8
183.11702	24.1
184.08762	2.9
184.12355	3.6
185.09671	6.6
185.13261	21.6
186.10414	3.0
187.11159	12.0
187.14787	6.2
189.12746	15.5
190.13528	14.2
191.10667	3.5
191.14305	6.9
192.09326	7.1
193.10382	13.2
193.12212	12.3
194.10892	10.3
195.11703	24.6
195.13577	3.3
196.12483	4.3
197.09612	5.7
197.11734	3.3
197.13283	20.1
198.10498	3.1
198.13971	3.1
199.11243	12.0
199.14796	10.6
201.12755	13.3
203.14314	29.7
205.10057	3.5
206.10902	4.6
207.11673	16.6
207.13800	19.8
208.12424	8.1
208.14552	10.1
209.09656	3.0
209.13258	23.3
209.15324	6.1
210.13884	5.3
211.11179	5.3
211.14897	12.1
213.12691	10.3
213.16327	3.6
215.10675	5.4
215.14363	6.5
217.10146	4.7
218.10721	3.9
218.16608	2.9
219.11700	7.1
219.13831	6.4
220.12500	4.5
221.13245	14.2
221.15341	91.7
222.13875	4.1
222.15891	6.0
223.11153	3.4
223.14870	11.9
225.12788	8.2
225.16350	4.9
227.14360	7.1
229.15894	4.1
231.11768	5.3
233.13206	7.0
233.15381	25.3
234.13908	3.7
234.15967	16.5
235.14749	8.8
237.12682	8.5
237.14682	35.8
239.14299	3.3
239.18088	2.9
241.15860	4.8
243.11661	3.7
247.14848	3.5
247.16991	7.5
248.14059	10.6
249.12500	3.1
249.16414	6.7
253.15848	8.1
255.17519	22.5
258.13763	3.6
259.17160	4.9
261.16382	6.6
263.18005	4.3
265.15875	3.6
265.19498	3.1
268.18225	4.0
270.19754	9.1
271.17044	7.1
274.19351	17.4
279.17422	5.9
281.19116	7.8
285.15988	3.7
285.18750	4.8
286.19336	16.3
287.20062	11.9
289.19675	3.2
293.19037	3.2
294.19778	5.7
295.20416	5.1
299.20087	15.8
303.19559	59.6
309.18509	3.4
309.21912	3.2
310.19159	4.5
311.19925	5.5
312.20856	8.9
313.21808	17.2
319.20532	3.3
325.21609	18.0
337.21564	10.1
348.72693	2.5
351.22992	3.9
352.23981	100.0
365.24750	24.3
377.24643	10.5
383.25830	2.7
487.32199	3.2
502.34189	10.1
503.35147	8.3
505.32968	6.0
507.34540	15.2
508.34760	10.5
520.35571	50.8
582.40466	4.0
585.38898	4.6
600.41339	31.1
601.41785	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	600.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05067	0.6
55.01878	0.7
67.05507	0.9
69.03419	1.8
71.56171	0.8
71.56522	0.9
76.92169	0.6
81.03413	1.4
81.07043	0.7
85.02905	3.4
91.05482	1.5
95.08604	0.7
97.02881	1.4
98.97652	0.6
105.07027	1.0
107.04970	8.1
108.05283	1.7
115.05423	1.2
116.06271	0.8
128.06210	2.9
129.07001	6.1
131.04958	0.7
131.08578	6.3
133.10080	0.6
137.02209	0.7
137.05946	0.9
141.07007	2.3
142.07715	1.3
143.08589	1.4
144.05672	2.4
145.06514	1.5
146.07233	0.9
147.04443	1.8
157.06519	3.4
158.07265	1.1
159.08069	12.0
161.06017	1.5
161.09605	2.3
167.07062	2.7
169.07655	0.8
170.07303	2.5
171.08086	2.0
173.06020	1.2
175.07593	1.2
187.07579	9.5
189.05524	0.8
189.09134	4.1
192.07803	0.9
203.07137	1.6
204.07805	4.8
216.07790	2.4
219.10165	2.5
221.08109	0.7
221.11716	1.9
231.10078	2.5
237.11221	0.8
249.11244	100.0
250.11514	2.0
306.90613	0.8
307.06055	0.8
354.10596	0.8
374.00977	0.8
374.77243	0.7
576.97113	0.8
600.26660	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.9
55.05512	15.6
57.07072	18.0
59.04991	4.1
61.91710	4.2
63.42572	3.6
65.03931	4.2
67.05506	31.3
69.03426	28.7
69.07065	17.0
69.25893	4.7
69.94217	23.2
79.05503	36.4
79.46046	4.4
81.07059	46.6
83.04974	17.9
83.08619	12.8
85.06546	8.9
89.06022	15.4
91.05485	56.3
93.07055	78.1
95.04991	26.1
95.08624	41.1
97.06519	11.4
105.07035	98.1
106.07841	6.4
107.04929	5.9
107.08601	65.6
109.06536	27.4
109.10184	26.3
111.08096	6.7
115.05446	9.8
117.07014	23.5
119.08591	92.4
120.09302	5.5
121.06533	22.1
121.10148	56.7
122.07282	4.7
123.08099	37.0
123.11748	6.1
125.06033	9.4
128.06230	16.4
129.05479	4.6
129.07036	24.6
131.08572	50.1
133.06525	10.8
133.08617	10.1
133.10150	49.0
135.08063	27.8
135.11711	19.2
137.09631	17.1
139.11163	7.1
141.06978	15.8
142.07825	29.6
142.81679	4.1
143.08592	55.3
144.09355	15.2
145.06456	6.0
145.10121	70.4
146.10831	6.2
147.08051	37.4
147.11673	18.8
149.09650	19.6
151.07567	19.8
155.08545	26.3
155.10712	6.5
156.09335	20.4
157.10147	100.0
158.10858	10.7
159.08084	21.5
159.11723	45.6
160.08820	8.5
161.09633	23.8
161.13248	10.4
163.11162	19.4
165.09113	47.5
167.08556	14.0
167.10693	21.9
168.09399	9.5
169.10135	36.7
170.10883	12.3
171.08121	6.3
171.11699	47.9
173.09616	17.9
173.13315	25.1
175.11139	27.8
175.14841	8.5
177.12694	5.9
178.07578	5.1
179.08540	12.4
179.10754	5.8
180.09351	7.6
181.10184	17.3
181.12253	15.9
182.10994	10.9
183.11691	30.8
185.09602	8.2
185.13297	19.5
186.14032	5.5
187.11142	14.4
187.14819	7.2
189.12779	15.8
190.13577	7.8
191.14319	5.2
191.58334	4.7
192.09348	7.7
193.10107	19.3
193.12257	12.8
194.10857	8.4
195.11716	28.1
196.12442	7.8
197.09708	6.9
197.11650	6.5
197.13206	22.7
199.11180	12.3
199.14847	11.0
201.12674	10.5
203.14374	33.3
205.12321	4.8
206.10818	5.3
207.11713	17.7
207.13800	23.2
208.12427	12.6
208.14467	11.0
209.13332	23.7
210.14005	7.5
211.11281	14.7
211.14880	13.6
213.12750	11.8
213.16328	5.0
215.14339	7.0
219.11801	7.7
219.13782	11.5
221.13242	13.4
221.15340	86.7
222.15819	5.7
223.11215	6.8
223.14864	17.5
225.12766	10.9
225.16307	10.9
227.14317	5.5
229.12477	5.6
229.15944	4.8
233.13281	8.4
233.15273	27.8
234.13983	7.8
234.16162	18.8
235.14874	10.8
237.12746	10.2
237.14491	23.6
238.16798	4.8
245.13274	5.5
247.17047	7.7
248.14046	6.8
249.16463	9.9
255.17459	25.7
259.27063	4.2
261.16373	9.4
270.19861	6.8
271.17075	8.5
274.19327	12.4
275.17917	7.0
279.17377	8.7
281.18869	10.4
283.20361	5.2
285.18604	8.7
286.19342	15.3
287.20032	15.9
294.19901	7.9
297.18588	7.5
299.20111	14.9
303.19556	52.8
313.21838	10.5
325.21561	17.4
337.21811	9.3
352.24008	77.8
365.24966	28.0
377.25552	5.4
383.25861	7.6
420.30182	5.7
487.31940	5.6
502.34515	12.4
503.35132	8.5
505.32629	8.9
507.34708	17.9
520.35632	38.0
582.40747	7.9
600.41693	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	600.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17530	13.0
55.01881	14.2
61.72993	13.1
69.03405	13.0
71.54752	23.6
81.03400	16.0
85.02895	30.6
109.02916	15.8
112.93717	13.4
121.02859	22.8
123.04446	17.1
127.03947	17.8
133.02841	23.1
135.04453	27.8
147.04413	34.4
149.02356	20.4
151.02199	19.2
151.03845	16.1
153.01817	71.2
165.00262	16.3
165.01840	61.0
165.05493	17.7
166.06203	20.1
167.01671	100.0
169.03169	21.0
171.33925	14.2
177.01874	63.9
183.02850	21.3
191.03326	28.9
193.03201	63.5
195.02924	98.6
203.03406	17.2
209.02716	16.2
219.02893	63.4
231.02911	26.8
233.02599	17.8
247.00558	16.7
249.03937	23.6
252.35025	15.0
253.05147	15.9
261.04105	34.8
286.07272	18.1
299.03680	18.1
317.05014	15.5
327.03333	24.5
345.04385	28.9
349.03827	27.7
355.02530	24.5
367.05554	15.6
373.03888	54.6
391.04956	16.8
397.03857	19.6
415.04785	30.8
421.05899	35.2
422.72296	15.8
438.08386	43.2
439.05347	16.2
445.05826	39.9
450.08441	16.6
457.06033	31.2
462.08566	43.0
475.06570	17.9
480.09592	93.3
504.09409	28.1
528.10266	17.1
546.10828	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	600.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
58.40043	0.6
64.35292	0.7
67.01877	1.1
69.03411	2.1
70.02959	1.5
72.85349	0.7
74.10403	0.7
81.03411	1.1
85.02905	2.9
88.04000	11.6
95.05003	0.9
97.02876	2.2
98.21527	1.8
98.97580	0.8
101.42674	0.8
107.04937	0.8
108.77252	0.7
109.02879	2.8
111.00803	1.8
113.02391	3.5
113.55864	0.6
121.01213	0.7
123.04451	5.9
123.14167	0.6
126.40369	0.7
127.03918	1.7
133.02863	0.9
137.02354	1.2
137.05998	0.8
139.03900	1.6
141.03696	0.9
147.04424	0.7
149.00566	9.5
149.02344	0.7
153.01834	95.1
155.01610	1.0
163.02130	0.7
165.00058	3.1
167.01659	1.1
167.03319	0.8
169.03200	27.3
171.02905	1.1
174.47977	0.7
176.01672	11.2
176.07047	0.9
180.02390	2.5
181.03221	2.3
188.01733	0.7
193.01926	2.6
194.04474	8.1
195.01122	1.6
195.02820	1.4
197.02620	0.9
205.03224	0.8
207.01152	1.0
208.04292	22.2
218.00327	1.0
232.01880	1.2
233.02673	2.0
239.02406	1.3
240.05058	2.6
247.04201	1.0
254.04836	100.0
259.00610	0.9
259.05994	1.1
260.01428	3.0
268.06384	2.4
269.04703	2.2
271.00580	4.7
275.03708	6.3
286.04642	1.3
286.07477	11.0
287.00058	0.9
288.00897	2.6
293.04651	4.9
299.00079	11.4
301.07132	2.7
311.10623	0.7
314.02463	0.8
316.00366	18.3
321.04266	7.2
329.04788	1.1
331.02673	18.5
333.04300	13.6
349.03793	7.0
356.05856	2.3
357.04156	0.7
375.05420	0.9
392.08420	0.8
402.06497	1.0
420.07529	13.9
421.05786	6.2
438.08612	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56248	1.5
67.01868	2.9
68.99794	5.0
69.03447	2.5
71.54810	2.4
77.40188	1.5
77.59336	1.4
79.05495	2.0
85.02908	4.8
89.68975	1.4
91.05460	1.5
95.04982	8.5
97.02904	1.6
105.03396	2.2
107.04977	4.5
109.02879	1.8
111.00812	3.5
111.04434	2.8
121.02850	3.8
123.02647	3.4
123.04484	1.7
127.03914	5.7
133.02856	27.6
135.04404	2.2
137.00638	2.0
137.05966	8.0
139.02190	2.2
139.03894	4.3
147.04413	6.4
149.00554	3.3
149.02348	23.1
151.02144	8.2
151.03888	20.0
153.01836	100.0
154.97987	22.2
155.01648	2.9
163.02055	1.7
164.04718	2.2
165.00107	8.5
165.05479	21.6
166.06267	50.0
167.01633	14.5
167.03397	5.1
169.03206	4.9
171.02901	4.4
172.99063	2.8
177.01817	3.1
178.00865	1.9
179.01567	3.1
182.97498	9.8
183.01112	3.1
184.99014	2.7
192.57283	1.5
193.03171	8.4
195.01277	3.0
195.02878	11.4
197.02654	9.4
198.03412	2.7
200.98532	14.1
203.01472	1.6
205.03181	1.6
209.02661	3.7
213.05653	1.7
219.01117	2.7
221.02669	3.6
229.04964	5.5
232.01915	3.6
233.02707	17.6
241.04961	3.4
243.01176	4.2
245.02824	3.4
247.00505	7.8
248.01382	5.9
257.04486	4.5
260.01352	2.8
261.02167	17.4
263.03784	7.2
264.03528	1.6
265.01587	2.3
271.00546	5.9
275.03778	10.5
286.07385	8.5
289.01611	5.5
293.04858	1.5
303.03323	10.6
310.32181	1.8
325.01456	2.1
329.04938	2.1
331.02655	23.7
349.03775	82.3
357.04349	5.0
367.04880	27.8
375.05276	15.9
385.03748	6.9
392.08020	3.7
403.04974	8.0
420.07568	2.1
421.05911	65.3
422.06015	2.4
438.08554	88.9
451.50671	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71547	1.3
53.03945	3.8
55.01845	1.3
55.05511	7.9
57.03428	1.4
57.07084	7.7
57.46151	1.4
59.05003	3.5
65.03943	3.1
67.05508	16.6
69.03440	11.5
69.07088	8.6
69.07397	1.6
70.94386	4.2
75.16754	1.2
77.48402	1.3
79.05495	18.4
81.03423	3.6
81.07063	22.3
83.04984	12.6
83.08611	8.4
85.06549	6.6
91.05484	30.9
93.07050	28.9
95.04972	14.4
95.08617	19.5
97.06525	7.6
97.10180	2.1
101.52128	1.4
103.05484	3.0
105.07038	45.2
105.29692	1.4
107.04969	2.0
107.08605	35.7
109.06523	11.6
109.10163	14.8
111.08086	2.4
113.09732	1.6
115.05447	2.8
117.07037	12.6
119.08591	40.5
121.06516	11.5
121.10143	35.5
123.08067	15.0
123.11709	3.0
125.06029	3.5
125.09642	7.3
128.06230	7.3
129.06996	10.7
130.07777	4.3
131.08586	22.0
133.06499	4.8
133.10132	25.5
135.08052	17.1
135.11679	9.1
137.09669	7.0
139.07564	3.2
139.11198	2.7
141.07018	7.0
142.07791	14.6
143.08572	29.3
143.09698	1.9
144.09406	8.0
145.10135	31.0
147.08084	16.0
147.11684	7.9
149.09599	14.2
149.13348	1.5
151.07555	16.5
151.11227	2.0
153.07033	3.0
153.09158	2.4
154.07851	1.8
155.08574	11.0
155.10757	2.4
156.09349	11.7
157.06602	1.7
157.10138	32.3
158.10945	4.2
159.08075	12.4
159.11716	15.6
160.08849	1.6
161.09641	10.5
161.13319	4.4
163.11235	9.5
165.07040	3.9
165.09128	22.5
167.08601	4.6
167.10712	15.0
168.09386	4.8
169.10141	17.0
170.10953	4.9
171.08052	2.2
171.11707	17.7
172.08752	2.0
172.12416	2.0
173.09660	7.0
173.13261	10.4
175.11195	8.6
175.14842	2.4
177.09187	2.3
177.12798	3.5
179.08543	6.8
180.09433	3.3
181.10120	7.0
181.12262	5.6
182.10944	5.1
183.11699	15.3
184.12625	1.8
185.09650	3.5
185.13235	10.1
187.11165	7.6
187.14832	2.5
189.12758	7.9
190.13515	1.4
191.08511	2.2
191.10597	1.5
191.14316	3.9
192.09366	1.9
193.10168	6.5
193.12202	3.3
194.10960	4.6
195.08101	1.6
195.11732	13.7
196.12552	4.1
197.09760	1.7
197.13277	13.2
199.11261	6.7
199.14893	4.5
200.11952	1.9
201.12788	4.3
203.14304	8.2
205.10233	2.6
206.10869	3.5
207.11765	10.4
207.13879	11.2
208.12488	3.8
209.09599	1.6
209.13306	15.0
209.15375	5.9
210.10643	1.6
211.11244	2.0
211.14864	7.8
213.12769	3.6
215.14365	5.6
218.10919	1.6
219.11766	3.7
220.12535	3.4
221.13295	10.0
221.15439	46.6
222.14012	1.6
223.11224	3.1
223.14868	6.4
225.12788	5.2
225.16374	3.3
227.14417	3.2
229.12291	2.6
231.11792	2.8
232.12454	3.0
233.13306	4.6
233.15350	31.9
233.17439	1.9
235.14926	6.5
237.12823	2.0
237.14693	2.5
237.16690	2.7
241.15875	2.8
243.11688	2.1
245.13347	3.5
246.14020	1.8
247.14752	3.4
247.17050	2.9
248.15607	1.8
249.16512	4.3
251.18007	2.9
253.16043	2.7
255.17511	2.9
259.14755	2.1
259.17157	2.8
265.15768	2.0
269.18936	2.0
275.17841	2.0
281.18921	9.0
285.18686	1.9
286.19363	4.3
287.20270	4.3
293.19064	1.7
299.20154	4.9
307.20676	1.8
311.20276	2.0
312.20969	2.3
313.21750	1.7
352.24030	2.2
363.27771	1.4
364.23996	4.0
365.24692	2.8
373.25494	3.5
377.24997	3.6
391.26346	3.8
441.29959	3.6
469.36932	1.5
471.32758	1.8
489.33716	3.2
493.33334	2.2
507.34763	80.6
581.40027	6.9
599.41040	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33027	0.5
53.03927	1.4
55.01862	0.9
55.05511	3.8
57.03400	0.7
57.07084	6.0
58.57783	0.5
59.05009	2.6
65.03915	1.4
67.05514	11.2
69.03436	8.1
69.07073	4.2
69.16028	0.5
71.04947	0.6
71.54903	0.6
79.05504	8.2
81.03385	2.1
81.07067	13.5
81.92444	0.4
83.04987	4.0
83.08588	1.8
85.02888	0.5
85.06563	3.4
91.05489	15.6
92.46118	0.6
93.06498	1.2
93.07054	19.8
95.04973	5.9
95.08620	14.9
97.02882	1.2
97.06528	3.2
97.10150	0.8
103.05449	1.1
105.04437	0.8
105.07042	24.5
107.04927	0.9
107.08609	14.5
109.02861	0.5
109.06538	6.3
109.10173	7.4
110.26435	0.5
111.04419	0.6
111.08068	1.8
115.05442	1.9
116.06186	0.8
117.07034	6.7
119.04935	0.5
119.08595	28.6
121.06520	5.2
121.09331	1.0
121.10160	15.8
122.07301	0.9
123.08089	12.5
123.11694	1.8
125.05972	2.9
125.09618	1.3
128.06215	3.3
129.07024	5.3
130.07770	1.7
131.08578	11.9
132.09402	0.7
133.06474	2.8
133.10147	13.9
135.08081	11.3
135.11687	4.2
137.05962	1.2
137.08658	0.9
137.09634	13.4
139.03899	1.0
139.07532	2.2
139.11194	0.6
141.06993	2.7
142.07799	7.9
143.07487	0.8
143.08578	11.6
144.09344	2.5
145.06450	0.9
145.09064	0.9
145.10146	16.4
147.08061	23.9
147.11710	4.8
148.08867	0.7
149.09630	3.7
151.07559	9.8
151.11163	0.8
153.07025	1.0
153.09100	0.8
154.07774	1.2
155.08580	6.3
156.09373	5.3
157.10149	18.5
158.10924	1.9
159.08057	4.0
159.10442	0.9
159.11707	11.7
160.06795	0.5
160.08771	0.6
161.09631	5.8
161.13261	6.1
163.11215	7.3
165.09134	48.7
166.07751	1.0
167.08543	2.3
167.10667	2.6
168.09320	2.4
169.10146	8.2
170.10960	3.7
171.07986	1.0
171.11703	10.8
172.08868	0.8
172.12476	0.8
173.09627	5.1
173.13242	4.3
174.10362	0.8
175.11276	3.0
175.14813	1.8
177.09111	2.3
177.12750	1.5
179.08597	3.2
179.10721	0.6
180.09325	1.8
181.10234	3.2
181.12241	7.1
182.10989	2.5
183.11700	12.4
185.09663	1.6
185.13277	7.2
187.11226	3.1
187.14857	1.4
188.11943	0.9
189.12770	3.6
191.10683	2.9
191.14346	1.6
192.09354	1.0
192.11453	0.6
193.10162	1.7
193.12134	1.2
194.10898	2.1
195.08005	0.6
195.11703	5.5
195.13689	1.2
196.12434	2.3
197.09691	1.1
197.13232	5.4
199.11162	2.9
199.14845	2.3
201.12743	2.0
203.14339	17.8
205.12094	0.5
206.10931	0.9
207.11717	3.0
207.13799	5.0
208.12517	1.1
209.13316	5.3
209.15207	1.0
210.10333	0.7
210.13965	1.0
211.11198	2.0
211.14813	5.6
213.12804	2.7
213.16258	0.7
215.14355	1.2
217.10088	0.6
218.10863	0.5
219.11732	1.1
219.13718	0.9
220.12634	0.8
221.15381	100.0
222.13864	0.7
222.15804	0.9
223.11250	1.5
223.14755	1.9
224.12036	0.6
225.12767	1.5
225.16418	2.3
226.13586	0.9
227.14334	1.8
227.18048	0.7
229.12271	0.8
229.15903	1.5
231.11850	1.0
231.13855	1.7
233.13271	1.7
233.15399	3.1
235.14803	2.3
237.12772	1.2
237.16498	0.8
239.14348	1.2
239.17972	1.6
243.13826	1.2
244.12463	0.6
245.15501	0.7
247.14857	1.1
247.16974	17.1
248.15681	0.6
249.12941	0.6
251.14311	0.8
251.17990	0.8
253.15997	1.0
255.17534	0.9
258.29544	0.5
261.13010	0.6
261.16156	0.7
261.18631	1.6
263.18024	1.4
269.18967	1.3
271.17114	0.9
273.16241	0.6
281.19098	2.4
283.20825	0.6
285.18610	1.0
286.19357	1.1
287.20108	7.8
291.17343	0.6
293.18741	1.1
299.20056	5.1
301.21713	1.7
309.18445	0.9
309.21854	0.7
311.20059	2.0
313.21619	1.7
318.17249	0.6
325.21738	1.7
327.23352	2.5
365.24811	3.9
373.25262	1.3
391.13141	0.6
391.26416	9.4
413.26782	1.9
419.29480	3.4
427.28583	6.4
441.30469	0.6
453.30081	1.9
507.34720	11.1
519.34753	2.7
543.34906	0.8
563.39203	0.9
581.39520	2.4
599.41034	59.2
600.41052	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.4
57.03440	1.1
59.04992	0.7
64.90662	0.8
65.03927	1.0
67.05507	4.9
69.07080	1.4
69.21281	7.2
70.85354	0.7
71.04998	2.4
79.05509	2.9
81.03434	2.9
81.07056	3.5
83.08607	1.0
85.06557	0.9
91.05498	3.1
93.07069	2.7
95.04977	1.1
95.08628	2.3
105.07052	2.7
107.08601	1.5
108.73888	0.6
109.02843	0.7
109.10174	2.0
111.04487	0.8
119.08642	0.8
121.10175	2.5
129.07071	0.8
131.08615	1.3
133.10175	1.6
147.11665	1.6
149.09683	1.2
157.10094	0.8
213.56302	0.7
233.11508	0.7
267.16049	1.4
283.15222	14.9
283.18112	1.2
297.03839	0.8
315.04984	1.4
339.17822	10.0
342.36053	0.8
569.04333	0.7
575.80579	0.7
599.34119	100.0
600.34790	1.1
602.57782	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.41
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07803	1.2
51.02361	1.2
51.28464	1.0
53.03947	3.5
55.01878	1.4
55.05518	9.0
57.03432	1.7
57.07090	8.7
57.07326	1.6
59.04999	4.0
65.03944	3.1
67.05512	14.6
68.81091	1.1
69.03436	12.3
69.07072	11.1
71.04995	1.9
72.31991	1.0
79.05503	17.1
81.07065	18.8
83.04989	10.8
83.08636	5.6
84.73529	1.3
85.02912	1.5
85.06555	7.2
91.05489	29.9
91.07611	1.1
93.07058	32.4
95.04970	11.1
95.08616	14.1
97.06564	7.9
97.10194	1.4
99.04484	1.0
103.05495	1.9
105.04552	1.2
105.07043	42.7
107.08601	33.7
109.06525	11.5
109.10201	11.6
111.08111	1.9
113.09662	1.6
115.05473	4.0
117.07030	11.6
119.04907	1.3
119.08600	38.5
121.06522	12.9
121.10152	36.0
122.07268	1.3
123.08070	12.8
123.11739	3.4
125.06001	2.5
125.09627	8.7
128.06235	4.7
129.07021	11.5
130.07806	4.4
131.08595	21.4
132.09341	1.4
133.06497	4.3
133.10150	24.8
135.08070	11.5
135.11726	6.2
137.05997	1.8
137.09624	10.7
139.07524	2.5
139.11212	2.5
141.06982	6.1
142.07797	15.6
143.08583	29.0
144.09355	10.2
145.06522	3.3
145.10143	30.5
146.07239	1.5
146.10918	1.5
147.08070	16.6
147.11673	8.4
149.09625	16.1
149.13318	1.7
151.07558	13.8
151.11183	2.1
153.07057	2.5
153.09180	2.2
154.07759	2.7
155.08574	11.1
156.09337	11.4
157.10150	29.7
158.07321	2.1
158.10934	3.8
159.08046	13.1
159.11719	18.4
160.08865	1.7
161.09668	9.9
161.13298	4.3
163.11211	9.4
165.07004	4.9
165.09142	23.9
166.07834	3.0
167.08597	7.0
167.10699	16.9
168.09386	4.5
169.10136	19.1
170.10916	6.1
171.08113	1.8
171.11700	18.2
172.12506	2.5
173.09616	9.0
173.13257	9.9
174.10471	1.6
175.11183	7.2
175.14870	3.7
177.09154	3.5
177.12703	1.2
179.08594	8.0
179.10149	1.2
180.09373	4.1
181.10146	10.0
181.12268	5.1
182.10896	5.5
183.11714	15.7
184.12491	2.0
185.09660	3.8
185.13284	8.8
186.10555	1.3
187.11235	4.4
187.14856	3.7
189.12766	7.3
190.13525	1.9
191.10641	1.5
191.14372	3.6
192.09306	2.4
193.10161	9.9
194.10954	5.2
195.07935	1.4
195.11728	12.7
196.12524	3.9
197.09599	1.4
197.13272	11.9
199.11172	5.4
199.14912	4.6
201.12817	3.5
203.10640	1.3
203.14328	11.7
205.10281	2.3
206.11002	5.3
207.11737	9.1
207.13850	11.1
208.12497	5.7
209.09654	1.6
209.13304	13.3
209.15344	3.8
210.13951	2.7
211.11276	3.3
211.14801	7.2
213.12723	6.6
213.16449	2.2
215.14378	3.5
217.10193	2.4
217.12199	1.3
217.15921	2.0
219.11751	3.3
220.12556	4.5
221.13287	9.6
221.15344	46.2
222.14078	1.6
223.11259	2.7
223.14923	7.8
225.12799	5.1
225.16454	3.2
226.13611	1.7
227.14337	1.8
229.12335	2.2
230.11002	1.2
231.11693	3.8
231.13860	1.4
232.12631	2.0
233.13234	6.5
233.15356	38.1
234.14066	2.8
235.14954	5.8
235.16977	2.1
237.12755	1.4
237.16618	2.6
239.14334	1.6
241.15906	2.6
244.12469	1.9
245.13252	2.6
246.14056	2.2
247.14761	3.4
247.17026	3.0
249.16501	2.9
251.14482	2.0
251.17992	3.2
253.15860	3.1
258.14334	1.6
259.14728	2.7
260.15674	1.4
261.16385	2.0
261.18799	1.5
263.14670	1.3
263.17917	2.2
269.19193	2.6
273.16376	3.2
274.19644	1.8
275.17813	2.1
281.19046	9.3
285.18857	2.4
286.19547	1.5
287.20142	4.0
289.19525	1.9
291.17612	1.6
293.19107	2.1
295.20453	1.3
299.20145	4.9
307.20682	1.6
311.20181	2.8
312.21133	2.1
325.21744	2.1
326.22540	1.2
329.22610	1.7
352.23953	1.6
359.23688	1.5
364.23981	3.7
365.24841	3.8
373.25296	3.9
377.24783	2.9
391.26285	2.6
401.28061	1.2
415.28558	1.7
441.30081	3.8
489.33682	4.3
493.33133	3.0
497.63007	1.6
507.34769	82.1
531.58203	1.3
581.39948	5.1
599.40973	100.0
600.41772	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	599.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
54.46577	0.5
55.01869	1.5
57.03449	0.7
69.03427	1.0
69.44221	3.7
70.06579	0.4
75.54961	0.5
79.05479	1.2
81.03423	1.2
85.02902	2.3
85.80930	0.5
91.05489	0.6
95.01351	0.5
95.04974	1.5
97.02889	0.9
98.20756	0.9
103.03983	0.5
107.04961	100.0
108.05303	0.7
109.02886	0.9
121.02879	1.8
121.06483	0.7
123.04420	0.9
124.92876	0.5
131.04938	1.0
139.03928	0.6
141.06992	0.5
145.06502	1.0
147.04440	1.6
149.06006	0.7
151.03940	1.2
157.06480	0.7
159.04480	0.8
161.06064	0.6
163.03877	1.2
173.06062	0.9
175.03937	2.5
175.07597	0.6
177.05530	1.4
181.04994	1.1
185.06035	1.0
187.03954	1.9
189.05586	1.4
191.03386	1.4
193.04984	3.4
197.05948	0.8
201.05515	1.5
203.07091	0.7
205.04933	4.8
213.05507	1.4
215.03426	0.5
217.04936	4.9
219.02904	0.6
219.06541	1.6
221.04510	1.7
223.06004	1.3
225.05588	0.8
227.07088	0.6
229.05064	2.0
231.06581	1.9
235.06020	3.0
239.07271	0.6
241.04951	2.2
243.06538	1.2
247.06032	4.7
249.11261	1.3
253.04814	0.6
259.06018	5.9
271.06055	3.3
273.07706	0.7
277.07193	1.6
279.06665	0.6
283.05997	2.2
285.07559	1.2
287.09158	1.1
289.07104	2.1
297.07639	0.9
299.09161	1.6
301.07028	3.1
311.09326	1.3
313.07022	3.1
317.10245	1.0
323.09100	0.9
325.07004	2.3
329.10236	3.1
335.09085	0.5
337.07101	0.7
341.10226	4.1
343.08170	1.0
353.10190	5.7
355.08209	0.7
365.10294	4.4
377.10251	1.6
379.12296	0.5
383.11221	6.8
385.09363	0.6
389.10144	1.8
395.11282	7.9
407.11218	7.6
411.10315	0.7
413.12299	2.3
419.11176	5.3
425.12170	2.9
431.13480	8.6
443.13358	2.5
449.12350	4.6
461.13245	2.9
467.13507	3.4
473.12509	1.1
479.13782	3.3
485.14206	2.3
491.13394	1.0
497.14609	5.7
498.01593	0.6
509.14587	2.7
527.15533	2.2
545.16449	1.4
581.12323	1.0
599.13770	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	597.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85532	0.2
55.05538	0.3
60.40416	0.2
65.11224	0.2
67.05504	0.9
68.44209	0.2
69.07073	0.4
69.63103	0.7
69.63534	0.6
79.05508	0.4
81.07059	0.6
91.05495	0.4
93.07069	0.5
93.26060	0.2
95.08622	0.7
97.06590	0.2
98.20830	0.2
105.07073	0.3
107.08610	0.4
109.10136	0.2
121.10167	0.6
141.65840	0.2
195.89693	0.2
258.22018	0.2
293.21066	0.4
309.20352	1.0
327.21451	11.4
355.24619	2.7
409.16455	0.3
420.71646	0.2
427.17468	0.5
510.23566	0.2
597.43414	100.0
598.44049	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.2
57.07085	0.8
62.05927	0.5
67.05502	5.5
69.03432	0.6
69.07056	1.8
69.95629	0.9
69.96014	1.5
79.05498	2.4
81.07057	3.0
83.08615	0.8
91.05477	1.9
93.07069	2.4
95.04970	1.0
95.08615	3.0
98.21447	0.8
105.07042	1.8
107.08592	1.9
109.10178	1.5
117.61420	0.5
119.08604	2.1
121.10158	1.0
123.11675	0.7
129.05487	0.7
129.06990	0.6
131.08540	1.1
133.10184	1.2
135.11754	0.6
143.08592	0.8
145.10126	0.8
147.11694	0.6
157.10143	0.8
161.13269	0.5
183.11774	0.6
194.58568	0.5
197.13237	0.7
199.14848	0.6
206.46191	0.6
210.38576	0.6
211.11136	0.6
216.01086	0.6
216.03102	0.7
247.13107	1.6
251.51353	0.6
293.21106	0.7
303.15802	1.5
306.32864	0.6
309.20288	1.2
317.20880	1.0
327.21429	16.9
351.23135	1.0
355.24503	1.1
373.23471	1.0
415.24585	0.6
597.36230	11.0
597.44421	100.0
598.44666	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.2
57.07083	31.5
58.06601	1.5
65.33674	1.5
67.05518	2.4
67.49838	1.3
68.72416	1.5
69.07058	4.1
71.08640	33.0
71.55853	2.0
73.06561	8.5
81.07036	2.4
83.08624	4.6
85.10191	20.3
87.04449	4.4
89.06042	100.0
91.05465	2.4
93.07060	1.7
95.05008	1.8
95.08608	2.1
97.10181	8.0
99.11734	4.5
105.07034	2.7
107.07076	1.8
107.08578	1.6
109.10178	1.9
111.11693	4.0
113.13277	1.9
117.09131	4.4
119.08614	2.4
123.04369	1.7
125.13300	2.0
127.14828	1.8
130.08664	1.7
131.07037	1.9
133.08620	53.8
147.08075	1.5
155.17924	1.6
177.11241	19.2
211.24284	1.9
217.46021	1.5
221.13847	4.3
239.15050	1.6
255.26811	2.9
283.17548	3.6
299.29498	5.7
327.20187	2.1
343.32028	4.1
371.22739	7.2
581.46039	6.4
598.41290	3.0
598.62366	4.0
628.49640	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.182
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
50.63035	4.1
54.66923	4.2
55.01865	9.6
69.67860	7.4
69.68268	20.9
69.70802	4.5
72.77098	4.5
81.03424	7.2
84.65715	4.5
85.02914	19.8
85.03360	4.5
93.02877	4.3
93.03422	16.0
97.02890	8.5
98.20837	6.4
103.03928	5.5
107.04967	17.4
109.02896	13.2
111.04408	5.6
119.04983	12.7
121.02874	30.0
121.06540	7.5
123.04438	14.2
131.04910	5.2
131.47092	4.7
135.04411	18.4
145.06476	5.7
147.04442	21.4
149.02351	6.4
151.03906	8.6
153.01791	8.4
159.04372	7.6
161.05936	5.2
163.03923	10.6
165.01823	14.7
173.02303	5.4
173.06009	12.4
175.00336	4.7
175.03963	5.2
177.01875	22.7
177.05498	6.5
179.03333	5.5
187.03868	12.3
189.01811	24.3
191.03416	15.1
195.02933	31.3
201.01918	7.9
201.05554	14.3
203.03439	20.8
205.01335	11.8
205.05026	9.3
207.02916	50.7
215.03415	14.3
217.05054	6.3
219.02893	87.1
223.02408	8.5
225.03937	11.8
227.03534	8.1
229.04964	17.0
231.02888	42.0
233.04437	16.4
237.03925	13.5
243.02873	36.7
245.04402	10.6
249.03989	17.5
255.02975	11.6
257.04495	18.7
261.03964	100.0
269.04471	10.9
273.03958	43.0
275.05542	4.9
281.04416	6.1
285.03955	40.6
291.05042	20.2
295.05716	6.6
297.03867	12.4
297.07242	7.3
299.05423	7.6
303.05045	30.7
309.03882	7.7
309.07352	13.1
315.05026	10.7
321.06290	18.0
325.06665	5.7
327.04977	50.1
327.08624	23.7
339.08185	43.8
345.06134	10.4
351.08563	18.6
357.05948	13.2
363.07120	36.8
369.05823	6.5
375.07376	12.0
381.09549	26.8
387.07343	10.1
393.09595	27.5
405.08270	39.8
411.10706	15.5
417.09879	5.5
423.09970	19.9
429.11884	27.6
441.10977	38.6
447.10788	20.6
459.12698	22.3
465.11536	10.7
477.11542	6.6
483.12653	18.1
495.12631	17.2
507.12848	9.7
525.13556	10.1
543.14746	13.1
561.15070	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	597.304
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.94166	1.7
55.05521	15.0
55.62381	1.8
57.03425	7.9
59.15303	1.8
65.03983	1.8
67.05189	1.8
67.05516	29.8
69.07072	17.8
71.04982	2.1
71.55524	3.7
78.68266	1.7
79.05495	9.4
81.03414	8.2
81.07066	35.3
83.04974	3.2
83.08629	8.8
85.02900	3.2
85.43386	1.9
91.05502	10.5
93.07066	12.1
95.05004	2.3
95.08621	22.7
95.63569	1.8
97.06563	1.9
97.10164	3.7
98.98479	19.7
98.99095	2.3
98.99313	1.6
105.07023	5.7
107.08590	6.7
109.02876	6.3
109.10152	8.5
119.08534	4.8
121.10138	6.5
123.11712	3.7
131.08539	1.8
133.10110	4.4
135.11668	3.9
147.08104	1.9
147.11693	4.2
149.13431	2.2
153.63901	1.9
155.01115	3.9
261.03708	7.7
263.19440	1.9
263.23734	4.2
309.17303	2.2
314.05179	2.0
337.27408	100.0
350.94400	2.1
395.51172	2.2
597.40491	5.8
601.71344	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	596.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01871	1.9
55.05506	4.9
57.03436	1.8
57.07073	3.7
60.04526	4.2
61.02906	1.7
62.06109	1.1
67.05511	6.9
69.03436	6.3
69.07079	4.3
69.21066	13.2
71.04998	18.9
73.06552	4.2
74.08542	1.1
79.05499	13.6
79.76106	1.1
81.03402	2.5
81.06586	1.8
81.07064	27.9
83.04996	11.4
83.08624	2.9
85.02913	19.9
85.06546	3.9
87.04469	5.8
91.05501	11.7
93.07057	35.9
95.04980	3.1
95.08607	11.8
97.02892	5.7
97.06524	2.5
97.10179	1.5
99.04487	1.5
99.08014	1.4
103.05457	1.9
105.07034	20.2
107.04990	1.5
107.08605	29.7
109.02909	2.4
109.10173	5.0
111.08028	1.2
111.11665	1.4
117.07030	4.3
119.08591	36.6
121.06460	1.8
121.10155	100.0
123.08110	2.9
123.11700	8.5
124.03955	2.0
125.09650	17.9
127.03931	7.0
127.11219	7.4
130.07805	1.5
131.08575	3.7
133.10123	8.1
135.11708	28.5
137.09602	1.9
137.13246	1.3
139.11212	4.0
143.10687	52.4
145.04982	9.2
145.09055	2.1
145.10146	31.5
147.11707	14.7
149.13257	4.8
151.11264	2.0
155.10670	8.8
157.10126	1.9
159.11719	18.2
161.13341	1.3
163.06012	3.7
163.11214	3.8
165.12712	1.9
167.10674	3.2
175.11324	1.3
175.14810	2.1
177.12779	3.0
191.17938	7.5
192.51721	1.2
201.16382	14.2
203.39642	1.1
219.17455	40.5
237.18500	12.9
271.08636	1.4
282.55896	1.3
296.06375	1.4
302.07278	1.4
312.25363	2.8
330.26563	2.9
345.20706	2.3
350.07819	1.4
352.09106	1.6
363.21652	2.2
381.22821	3.0
440.10141	1.5
560.14453	1.6
578.31677	4.3
581.13843	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.4
55.05521	19.0
56.38679	3.8
57.03421	6.9
57.07079	7.1
67.05510	67.2
68.97649	3.2
69.07078	16.7
70.06535	8.5
70.06950	11.3
71.05004	20.3
71.08642	5.9
79.05504	43.9
81.07067	100.0
83.04980	3.2
83.08629	7.2
85.06521	8.0
88.07630	6.4
91.05495	36.6
93.07053	40.0
95.08620	36.7
97.10181	3.8
104.07326	3.4
105.05288	3.4
105.07046	18.0
107.08582	23.5
109.10165	16.1
117.07022	7.0
119.08598	13.0
121.10134	15.4
123.11726	12.2
131.08566	13.7
133.10146	11.3
135.11705	10.6
143.08586	3.6
145.10127	10.3
149.02345	4.3
149.13290	5.8
159.11702	8.7
161.13324	4.1
167.03458	8.4
187.13322	6.7
195.04631	3.8
273.89252	4.2
278.37308	3.7
301.19992	17.3
311.29456	10.0
312.32559	8.3
317.24799	4.1
321.70859	3.5
335.25784	28.2
432.24017	3.5
503.37317	87.3
517.39105	5.7
561.41553	41.7
596.47736	30.7
596.59393	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	595.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.5
61.20451	3.3
63.75611	2.6
64.33136	3.2
65.03940	2.8
69.03439	25.2
69.73705	17.0
81.03410	4.3
84.08141	7.1
85.02911	9.3
86.43950	3.2
98.43782	3.2
107.04942	3.3
119.04967	5.4
120.22491	3.0
121.02891	30.0
135.04451	7.9
137.02359	24.4
145.06432	3.2
147.04491	3.1
151.03967	3.2
161.02383	8.5
177.01912	4.2
179.03433	9.4
187.03870	4.1
189.01851	17.2
191.03430	7.3
195.02966	8.5
201.01839	3.5
203.03410	16.9
207.02899	9.4
213.05542	4.2
214.23936	2.7
217.04930	7.1
219.02875	10.0
229.04994	7.2
233.04445	4.7
239.03316	3.0
241.04971	3.9
255.03166	3.4
255.06726	2.8
257.04449	7.7
267.06421	6.6
269.04459	3.3
271.05981	3.8
279.06393	4.5
283.06049	13.8
284.06827	8.0
285.03833	3.1
293.08286	6.7
294.05350	17.1
295.06058	75.6
295.09387	4.2
296.06775	8.5
297.07516	14.8
299.05569	6.8
307.06039	38.0
308.06754	17.7
309.04251	4.3
309.07455	15.4
310.04724	17.9
311.05597	31.8
312.05945	4.2
313.07147	16.2
319.06052	6.6
321.07562	20.5
322.08377	11.8
323.05505	34.6
323.09027	6.3
324.06366	12.8
325.07117	93.5
329.06836	4.8
333.07581	10.3
335.05579	6.2
335.09113	16.7
336.06415	6.6
337.07071	63.6
337.10971	3.6
338.07834	5.1
339.04715	3.7
339.08612	9.5
341.06625	21.5
345.07428	4.1
347.09009	14.7
349.07062	41.4
350.07959	5.7
351.08737	27.0
353.06583	47.6
355.08148	19.1
359.08990	5.3
361.07187	18.8
363.08527	14.4
365.06409	16.4
365.10376	10.7
366.07370	4.4
367.08243	26.9
371.07773	6.8
373.06976	9.3
374.07886	5.4
375.08667	19.0
377.06445	8.8
377.10559	5.7
379.08209	60.2
389.06256	4.0
391.03607	5.4
391.08163	39.0
393.09900	15.5
395.07632	30.5
397.09412	5.7
403.08075	35.6
405.09607	3.6
407.07568	5.5
409.09286	44.9
415.09518	3.6
417.09955	4.3
421.09189	62.4
425.08655	7.4
427.10321	38.8
433.11670	14.5
437.08569	5.0
439.10300	94.1
443.09796	7.1
445.09296	10.0
449.10870	4.8
455.10068	5.5
457.11392	100.0
463.10413	12.4
473.10864	12.5
475.11856	15.2
481.11288	24.6
487.10300	8.8
491.11816	7.2
493.11093	4.9
497.10944	19.4
499.12341	13.5
505.11279	12.1
511.12466	13.4
515.11798	14.9
523.12372	33.8
529.13489	5.7
541.13519	84.4
559.14508	35.3
577.15460	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1657
Annotation	6,8-Di-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
57.03435	3.2
69.45025	1.8
70.98885	4.6
85.02916	6.3
93.03421	2.3
103.03939	3.7
107.04922	2.3
109.02895	2.8
119.04950	8.9
121.02888	38.1
145.02846	5.9
149.27513	2.1
161.06099	2.0
163.03856	2.0
177.01836	6.2
179.03391	4.2
189.01784	11.8
191.03401	4.5
195.02893	7.4
201.05479	2.7
203.03485	11.5
207.02878	6.5
215.03423	2.9
217.04977	6.6
218.55528	1.9
219.02881	4.8
229.05070	4.5
239.03143	2.6
255.03084	2.9
257.04474	2.7
267.06461	3.6
268.07260	6.6
279.06519	7.6
281.08160	4.0
282.05197	2.5
283.06033	8.9
285.03616	2.3
291.06668	3.8
293.08035	4.9
294.05289	23.2
295.06049	83.1
296.06805	6.5
297.07623	11.0
305.08032	2.2
307.06015	52.4
308.06781	12.9
309.07507	13.1
313.07144	4.8
317.08051	2.3
319.06000	7.3
319.09549	2.7
320.06699	6.0
321.07611	30.3
322.08337	10.2
323.08997	3.8
325.07101	100.0
333.07544	8.8
335.09119	15.2
336.09888	2.5
337.07074	59.0
337.11069	3.7
339.08307	2.6
345.07687	2.4
347.09009	10.8
349.07089	28.9
351.08582	22.7
355.08093	16.5
357.07462	2.7
361.07028	20.1
361.10864	3.2
363.08603	6.9
365.10291	16.1
367.08182	5.9
373.06989	6.0
375.08630	14.6
379.08139	44.5
385.06979	5.4
389.10172	4.9
391.08148	31.4
393.09329	3.8
403.08154	26.7
409.09235	43.9
415.08347	3.4
417.10245	2.5
421.09198	21.9
427.10303	39.5
427.15533	1.8
433.09305	3.4
439.10364	26.6
441.26071	2.1
445.10193	6.9
457.11340	77.4
463.10089	4.0
475.12408	16.5
481.11456	22.4
493.11230	4.7
499.12384	18.1
505.10992	7.3
511.12305	17.3
523.12451	20.1
529.13263	3.9
541.13403	24.7
559.14441	19.6
577.15308	8.7
595.16193	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	595.1656
Annotation	6,8-Di-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
52.56987	2.0
55.10258	1.9
56.29525	2.1
57.03437	2.4
62.21797	1.9
65.03947	1.8
66.06245	2.1
71.12278	2.2
71.12616	3.5
77.53097	2.1
78.10406	1.9
78.60282	1.8
81.03394	3.4
85.02886	4.0
101.15466	2.0
103.52049	2.3
107.04927	4.2
118.09565	2.0
119.04951	12.0
121.02866	28.8
145.02783	2.5
165.01791	3.4
175.03804	3.4
177.01837	6.0
179.03384	5.7
187.03886	2.6
189.01828	13.8
191.03377	6.4
195.02859	6.2
199.03911	3.7
203.01630	3.2
203.03387	16.1
207.02835	8.3
213.05530	2.1
215.03441	2.9
217.04924	7.3
219.02840	4.7
221.04460	2.8
227.03484	3.3
231.03014	2.7
235.68057	2.1
249.15364	1.9
255.02892	4.2
267.06525	5.5
268.07312	7.3
271.05734	2.4
273.03851	2.3
279.06470	5.5
281.08038	4.5
283.06082	16.2
284.06924	3.2
293.08005	3.4
294.05331	11.8
295.06024	100.0
296.06766	6.8
297.07602	16.1
298.08243	2.2
305.08200	3.2
307.06009	67.5
307.09525	4.7
308.06808	19.4
309.07611	21.1
312.06189	2.4
313.06998	8.0
317.08115	3.3
319.06042	9.7
319.09235	2.8
320.06842	6.9
321.07553	42.8
322.08249	5.9
323.05499	9.8
323.09149	6.5
325.07068	77.4
326.07660	5.5
333.07477	7.8
335.05350	7.3
335.09085	26.9
336.06131	6.9
337.07068	42.8
339.08542	6.2
345.07513	3.3
347.05466	3.7
347.09271	11.8
349.03119	3.0
349.07117	36.7
349.11148	2.0
350.07828	3.9
351.08496	14.7
353.06467	8.5
355.08133	3.8
360.06335	3.9
361.07034	17.5
363.08765	13.1
365.06503	6.4
365.10168	5.8
367.08121	4.3
373.07007	8.1
375.08658	11.2
377.06494	7.6
378.07425	2.9
379.08057	22.5
385.07047	4.9
387.08154	3.5
391.08133	50.5
393.09540	7.1
395.07501	3.8
403.08005	14.8
407.07584	2.6
409.09222	41.9
415.08826	2.4
417.09622	2.8
417.61630	2.3
419.07571	4.1
421.09241	33.9
427.10269	22.6
433.09317	2.7
435.10880	4.4
437.08575	3.3
439.10272	59.5
445.09348	3.3
457.11331	41.2
459.10754	3.9
463.10147	10.6
475.11728	17.0
481.11310	45.2
487.10373	7.9
493.11340	24.8
495.12961	3.1
499.12494	9.9
505.11353	21.7
511.12219	22.5
523.12402	38.5
528.96661	2.2
529.13062	2.7
541.05542	3.8
541.13373	57.4
559.05841	4.2
559.14404	62.7
577.15399	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	595.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.2
57.03431	2.5
58.24678	1.6
69.03424	2.4
69.10210	1.7
71.05838	3.5
71.84806	1.7
81.03424	2.7
85.02897	5.6
91.05473	1.8
93.03391	1.7
101.34117	2.1
103.03932	3.2
107.04936	2.0
109.02885	2.4
113.04308	1.8
119.04938	7.4
121.02869	35.5
123.04427	2.3
131.04970	1.9
135.04401	3.0
139.03876	2.5
145.02834	4.6
149.02423	2.1
163.03874	4.3
175.03847	2.7
176.01141	2.1
177.01843	3.0
179.03427	3.5
179.58434	1.7
189.01872	9.0
191.03400	5.8
195.02841	4.1
201.01801	2.2
203.03418	9.5
205.04910	2.6
207.02864	5.6
213.05502	1.8
215.03423	3.4
217.04932	4.8
219.02834	6.8
219.06209	1.7
226.02988	1.8
229.04915	3.2
233.04372	2.7
243.02942	2.7
255.02910	4.2
257.04489	3.3
267.06491	2.3
268.07248	4.8
271.05978	2.3
279.06537	5.6
280.07196	2.9
281.08130	7.5
283.05991	8.8
293.08127	3.5
294.05267	25.8
295.06018	85.5
296.06677	7.9
297.07513	11.5
305.08081	3.4
307.06030	50.6
308.06750	17.4
309.07535	15.1
313.07028	5.2
317.07947	3.9
318.09052	1.9
319.05927	6.1
319.09473	2.6
320.06686	4.7
321.07574	34.4
322.08344	10.4
323.05597	2.6
323.09137	5.1
325.07080	100.0
329.08008	2.2
333.07635	11.0
335.05582	2.8
335.09155	17.5
336.06268	2.6
337.07089	61.5
337.10822	3.2
345.07477	4.3
346.08408	2.9
347.05478	2.3
347.09122	11.1
349.07025	38.0
350.07669	2.8
351.08652	23.9
355.08124	19.4
357.07428	4.1
359.09137	2.2
361.07007	20.7
361.10812	3.2
363.08585	8.1
365.10318	12.7
367.08099	5.0
373.07071	4.9
375.08621	10.5
379.08142	48.3
385.07095	3.1
387.08383	3.6
391.08139	29.7
401.10196	3.6
403.08057	21.6
405.09631	2.4
409.09189	45.3
415.08359	3.0
417.09219	2.1
421.09195	24.3
423.10748	2.3
427.10406	41.3
433.09207	4.9
439.10205	29.8
445.10474	6.6
457.11371	85.9
463.10126	5.7
475.12393	16.3
481.11285	28.1
487.10031	4.4
493.11310	3.4
499.12378	17.6
505.11426	6.3
511.12332	20.2
523.12451	24.3
529.13434	7.0
532.51563	2.1
541.13507	25.8
559.14648	19.2
577.15594	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	595.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.4
52.55756	1.5
53.00295	2.1
55.01873	2.8
57.42759	1.3
65.03953	2.8
65.23735	1.3
67.05492	1.5
68.99805	6.6
69.87691	4.4
69.88090	2.5
81.03381	3.5
85.02921	2.1
91.05486	2.8
93.03396	1.7
95.05019	2.7
97.02883	2.2
98.21520	1.7
105.03426	1.6
107.05013	1.8
109.02863	5.7
111.00790	6.8
111.04412	2.0
113.26761	1.2
115.05507	1.7
119.04971	11.1
121.02873	18.3
123.04438	81.5
127.03919	48.6
133.02887	3.5
135.04411	5.1
137.02376	1.7
139.03911	100.0
145.02808	2.4
145.06462	1.7
147.04407	25.1
149.02412	2.6
149.06007	2.0
151.03926	28.4
155.03383	4.6
159.04532	2.3
161.02309	2.2
161.05966	6.4
163.03905	14.9
165.05481	14.7
167.03474	2.2
169.06407	1.6
171.04390	2.1
173.05972	2.6
175.03943	14.9
177.01903	2.4
177.05473	5.2
179.03404	43.0
179.06824	1.5
181.05003	4.6
185.05972	3.2
187.03888	4.0
189.01820	4.1
189.05457	7.2
191.03366	14.3
193.04964	10.3
197.05949	2.2
199.03896	3.2
201.05457	7.4
203.03400	34.3
205.04985	3.6
207.02876	3.0
207.06444	3.6
211.03882	2.1
213.05437	5.5
215.03284	2.2
217.04971	11.7
225.05385	1.8
227.03427	3.5
229.04994	14.1
231.06578	4.5
233.04449	5.4
241.04922	7.0
245.04475	32.5
247.05965	2.1
253.04909	2.6
257.04474	31.3
258.05228	3.1
259.06006	3.4
263.05502	11.0
267.06512	1.6
268.07339	2.4
269.04529	7.1
271.05948	7.9
273.07492	1.9
275.05499	27.6
277.07062	2.3
279.06592	2.8
281.04492	4.2
283.06079	4.0
285.04016	1.8
287.05518	77.7
291.08633	16.0
294.05280	7.7
295.02917	2.3
295.06052	31.7
296.06717	3.4
297.07578	3.5
299.05530	30.7
305.06476	7.7
307.06027	19.6
308.06839	5.3
309.07574	5.5
311.05746	2.8
313.07242	2.3
317.06570	22.3
319.05923	2.9
321.07639	13.6
322.08322	3.9
323.05612	2.6
325.07068	39.8
329.06656	2.4
335.09146	6.1
337.07068	19.1
339.08658	1.8
345.07431	1.7
347.09091	4.8
348.06735	1.7
349.07086	13.7
350.07837	1.6
351.08615	8.1
355.07977	7.9
361.06946	5.8
363.08783	3.2
365.10202	5.6
367.08276	3.0
373.06985	3.0
375.08554	4.3
379.08191	21.4
381.32278	1.5
391.08188	15.3
401.10074	1.6
403.08060	6.1
409.09210	52.7
421.09290	10.4
425.08633	21.3
427.10333	20.4
433.09103	5.7
439.10339	14.8
443.09360	4.3
445.09601	1.4
451.10287	14.3
457.11349	34.7
463.10410	2.5
469.11075	3.0
475.11871	6.5
481.11371	9.9
487.10260	2.1
499.12354	8.9
505.11230	2.8
511.12234	7.1
523.12421	7.6
529.13324	3.0
541.13568	8.0
559.14539	7.5
577.15106	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	595.145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53560	1.1
55.01875	1.7
65.03938	1.7
67.05514	1.4
68.99795	9.2
70.70293	3.5
72.52451	0.9
81.03442	3.0
85.21402	1.3
95.04974	3.4
105.03368	2.1
107.04948	1.2
109.02882	3.9
111.00803	5.3
111.04455	4.7
115.84610	1.1
119.04980	2.3
121.02908	2.3
123.04438	44.3
127.03926	100.0
131.04903	1.3
133.02861	2.1
135.04443	8.4
137.02312	1.5
139.03911	91.6
145.06514	1.2
147.04424	12.2
149.02350	5.1
149.06007	1.6
151.03909	28.5
159.04370	1.8
161.05956	3.3
163.03900	13.3
165.05504	6.3
167.03453	8.2
167.04686	1.2
171.04416	1.9
175.03908	14.5
177.05498	6.4
179.03404	28.9
185.06065	1.6
189.05415	5.1
191.03412	16.8
193.05003	4.4
197.05971	2.0
199.03911	1.4
201.05495	6.7
203.03406	22.6
205.04976	2.8
213.05499	6.3
215.03438	2.6
215.07115	1.6
217.05011	4.0
219.06415	2.0
229.05026	9.0
231.06567	3.4
233.04471	7.8
241.04948	3.3
243.06619	1.9
245.04524	13.0
247.06030	9.6
251.05505	1.3
255.06584	1.6
257.04498	18.9
258.05331	2.8
259.06024	4.9
263.05481	10.9
269.04547	5.5
271.05966	9.0
275.05518	28.9
283.06113	1.7
287.05511	54.4
288.06116	1.2
289.07108	3.6
291.08624	10.8
299.05515	19.3
299.08633	1.9
301.06992	3.3
303.08533	1.4
305.06503	11.0
311.05481	1.6
317.06610	20.2
365.68253	1.5
407.07767	1.8
409.09265	17.5
425.08664	19.0
427.10056	5.8
434.34326	1.2
437.07654	1.3
443.09726	6.3
451.10443	2.0
492.69067	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1453
Annotation	CHEBI:75667
Peak:m/z	Relative Intensity
53.03942	1.1
55.01883	1.1
56.50260	0.8
57.03410	0.8
62.28653	0.7
65.03932	1.5
67.05479	0.8
68.22518	0.8
68.99796	7.1
69.03406	1.2
71.54510	1.0
81.03405	2.7
85.02895	1.5
91.05460	1.5
95.04962	1.7
99.04432	1.4
102.71465	1.0
105.03370	1.7
107.04959	4.3
109.02852	3.8
111.00789	4.9
111.04418	2.4
117.03335	0.9
119.04958	2.8
121.02872	3.4
123.04436	40.1
127.03923	100.0
131.04910	2.4
133.02861	1.3
135.04420	22.8
137.02330	3.9
139.03908	97.7
141.06982	1.2
145.06480	1.9
147.04407	9.9
149.02312	6.1
149.05988	1.8
151.03909	26.0
155.04904	1.1
157.06569	1.1
159.04358	2.0
161.05974	3.9
163.02541	1.8
163.03920	30.8
165.05522	5.1
167.03416	7.5
169.04980	1.6
169.06384	1.2
171.04448	1.2
173.05959	2.5
175.03929	10.2
177.05496	6.9
179.03415	23.1
181.04968	3.1
181.06389	0.9
185.05965	1.7
187.03868	5.3
189.05557	5.7
191.03409	16.9
193.04968	6.4
197.05983	1.9
199.03882	1.6
201.05484	7.6
203.03419	18.8
205.04996	2.9
213.05486	5.1
215.03342	1.7
215.06879	1.8
217.04984	4.0
225.05589	1.0
229.04974	10.3
231.06558	4.4
233.04486	9.3
241.04988	2.5
243.06490	2.4
245.04498	14.9
247.06038	25.8
251.05414	2.3
252.97214	3.2
253.04880	1.2
255.06572	1.6
257.04495	19.5
258.05188	1.8
259.06073	7.8
263.05478	7.7
269.04398	6.1
271.05984	11.6
275.05518	26.1
283.06055	7.0
287.05502	46.6
289.07120	7.8
291.08615	5.7
299.05511	16.2
301.07056	12.9
305.06699	4.6
307.08060	4.0
312.98053	3.5
313.06958	3.1
317.06613	9.7
319.08441	1.2
337.06931	1.1
365.10602	2.6
391.08249	1.0
407.07556	1.4
409.09207	16.7
410.09445	1.1
425.08655	13.7
427.10400	6.1
439.09705	1.0
443.09723	6.6
451.10016	1.2
595.16632	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51381	2.4
53.93204	2.5
55.01867	4.7
55.05516	14.3
57.03423	8.4
64.52522	2.6
67.05511	23.8
69.03423	3.3
69.07066	4.0
70.78916	2.9
71.06293	6.1
78.98261	2.4
79.05490	24.1
81.03425	48.5
81.07062	25.5
83.04985	7.7
83.08609	15.2
88.72150	2.8
91.05478	19.1
93.07059	20.1
95.04972	24.9
95.08623	13.9
97.10160	15.7
105.07024	11.7
105.82263	2.7
107.04946	11.8
107.08577	13.0
109.06515	10.4
109.10169	6.0
111.08083	3.7
117.07011	8.9
118.49821	3.0
119.08593	9.1
121.06479	12.9
121.10137	9.4
123.08038	5.9
124.15705	3.0
125.09627	14.4
129.07005	10.8
131.08559	8.4
133.06520	3.6
133.10135	5.5
135.08051	4.4
143.08601	4.8
145.06467	4.1
145.10118	5.9
147.11652	7.6
149.09601	4.2
153.09129	3.9
157.10132	7.0
158.11195	2.8
165.12827	3.1
166.88379	2.9
175.11153	5.4
189.11217	4.4
193.12245	13.8
233.15344	5.4
267.15875	41.2
273.14841	6.7
304.02261	2.8
313.93597	3.0
349.21387	5.8
357.24167	3.0
367.22720	23.1
379.24063	3.4
385.23804	25.3
385.28177	4.4
403.24896	13.6
441.26141	8.7
459.21255	6.0
459.27448	100.0
459.33850	6.1
477.28470	69.6
491.30093	10.6
509.30957	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	593.2762
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
58.50138	0.2
65.63346	0.2
67.05502	0.4
69.33563	0.3
69.33967	1.4
91.05439	0.2
95.13248	0.2
105.07021	0.3
107.08617	0.3
128.57458	0.2
133.20563	0.2
209.10828	0.2
223.12341	0.3
273.19034	0.2
387.16193	0.3
388.16937	0.5
389.17520	1.2
391.19312	0.4
401.17838	0.5
402.18555	0.8
403.19220	2.7
404.20154	1.1
405.20895	1.8
406.21707	0.4
415.19409	0.6
416.15411	0.3
416.20215	0.7
417.16769	0.8
417.21356	3.5
418.22076	1.4
419.22412	3.9
420.23132	0.3
429.21530	0.2
430.17163	1.2
431.18271	8.5
432.18698	2.1
433.24261	6.2
434.24765	1.3
444.19156	0.4
445.19995	9.1
446.20865	4.5
447.21750	5.5
449.23438	0.3
458.21240	0.4
459.21414	3.3
460.22601	12.0
461.23273	10.4
461.29498	0.4
462.24606	0.3
463.21463	0.4
473.23981	2.1
474.24133	0.6
476.25949	0.9
477.22189	0.4
477.27426	0.4
487.25012	0.8
489.26947	0.4
491.24048	0.9
492.25250	1.3
493.25949	0.3
505.22104	6.8
515.24457	0.4
518.23560	0.3
519.23901	1.2
533.25507	26.5
534.25787	1.4
547.27197	0.3
549.21545	0.3
550.25812	0.3
561.24878	0.3
563.22681	0.2
564.23718	0.8
565.28271	0.8
575.26251	0.3
578.25439	0.4
593.27606	100.0
594.27960	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	593.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.6
62.92123	1.3
69.03423	2.1
70.06606	2.2
70.30406	1.9
70.30756	4.0
79.05489	2.0
84.08158	1.6
85.02898	3.3
86.09708	2.5
91.05486	5.2
94.04224	1.9
95.01378	1.6
97.02926	1.7
103.05493	1.9
115.05421	2.1
119.04955	3.1
120.08040	1.8
126.46470	1.4
127.03899	1.4
133.02864	1.5
134.03651	2.2
137.02399	1.6
137.05988	8.1
139.03969	2.1
141.01846	1.6
145.06479	1.6
147.04453	7.8
147.15868	1.2
149.05997	3.1
150.06776	2.7
151.03928	1.6
158.03679	2.5
163.03886	2.0
166.07770	1.3
173.06013	4.0
175.03888	2.9
177.05614	1.4
177.07050	5.5
186.03136	7.7
194.07304	5.5
201.05486	15.6
204.05734	1.6
205.06497	12.6
206.07271	2.0
211.07758	1.8
217.06689	1.7
219.08119	2.3
221.06020	4.8
222.06810	11.2
223.07539	2.1
227.07178	1.9
233.06004	17.6
234.06834	3.4
237.09064	11.4
239.07014	3.3
247.07666	3.8
249.05504	5.2
250.06281	14.1
251.07007	3.2
254.09468	1.6
261.05536	2.2
264.07809	5.6
265.08640	24.8
266.09338	2.5
267.06552	3.4
277.04977	3.3
278.05817	7.0
279.10226	2.6
282.08951	1.7
287.05771	1.7
292.07297	12.8
293.08115	23.9
295.06073	3.2
297.11261	5.4
307.09647	42.3
310.08426	2.8
311.05423	2.0
325.10718	100.0
341.06378	1.9
379.08148	1.7
593.18982	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	593.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77372	0.4
55.05506	0.9
56.30323	0.4
57.07080	0.9
65.19450	0.4
67.05515	1.3
69.07066	0.7
71.28653	0.9
72.41645	0.4
77.35097	0.4
79.05516	0.6
81.07063	1.8
83.08646	0.5
91.05478	0.6
91.15907	0.4
93.07071	1.0
95.08620	1.8
107.08614	0.8
109.10174	1.2
120.74619	0.4
121.10194	0.5
122.53616	0.4
131.08643	0.6
135.11688	0.4
151.91666	0.4
183.09196	0.5
209.10745	0.5
229.14517	0.6
313.27435	0.7
314.27713	0.9
388.16782	0.6
389.17648	1.5
390.18320	0.5
402.18439	1.3
403.19318	3.6
404.19971	1.4
405.20642	2.2
415.19501	0.7
416.20413	0.6
417.16345	1.0
417.21481	3.9
418.21783	2.3
419.22369	3.8
430.17673	1.1
431.18192	9.6
431.23508	0.8
432.19421	1.6
433.24326	7.7
434.24670	1.3
436.98456	0.5
445.19867	9.8
446.20673	4.1
447.21716	6.4
456.38428	0.5
459.21353	4.4
460.22601	14.3
461.23386	12.2
463.21075	0.5
473.23666	3.1
474.24405	1.0
476.25851	1.8
477.22757	0.7
487.24887	1.2
489.26941	0.7
491.24973	0.9
492.24973	0.9
505.21793	5.1
519.23840	0.9
533.25519	46.6
534.25812	2.0
547.25787	0.6
550.26172	0.5
565.28278	1.0
593.27618	100.0
594.27948	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	593.1869
Annotation	5,4'-Dimethoxyflavone 7-xylosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
52.64215	0.1
64.50122	0.1
67.05502	0.2
69.03419	0.2
71.55400	0.2
77.70152	0.1
79.05473	0.2
81.07058	0.3
85.02893	0.3
93.07021	0.2
95.08587	0.3
97.02892	0.2
98.97617	0.2
105.07054	0.2
107.08563	0.2
109.10168	0.2
117.03401	0.1
121.10142	0.2
122.05987	0.1
131.04880	0.1
132.05693	0.4
133.06500	0.2
133.10095	0.1
135.04428	0.4
137.05969	0.5
139.03880	0.3
141.12457	0.1
147.04428	0.1
163.03868	0.2
163.07558	0.2
166.02617	0.3
167.03375	0.4
168.05711	0.4
169.01367	0.3
169.06563	0.2
176.04747	0.1
182.07262	0.4
183.08041	0.8
184.03706	1.8
196.05235	0.4
197.05971	0.6
200.08321	0.3
210.06758	0.4
211.07568	1.3
213.05560	0.4
224.04784	0.2
225.05441	0.4
227.07024	1.2
228.07819	0.8
238.06166	0.2
239.07011	2.5
241.05048	0.7
243.10193	3.4
247.06023	0.2
252.04269	0.2
255.06476	0.7
256.07336	5.3
267.06604	1.0
268.07419	0.2
283.06097	1.3
284.06802	14.7
287.72736	0.1
299.09149	100.0
300.09543	1.2
308.03183	0.2
350.14014	0.1
373.65344	0.1
392.46167	0.1
431.13412	0.2
447.12973	0.3
520.85925	0.2
544.67719	0.1
593.19519	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	591.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76167	1.5
53.03943	2.9
55.01865	1.8
55.05513	16.3
57.03433	12.9
57.07081	41.2
65.03930	2.4
67.05508	48.8
67.42654	1.7
69.07066	16.2
71.08639	23.8
71.54921	2.9
79.05058	3.3
79.05497	41.2
81.07063	60.7
83.04990	2.4
83.08629	12.8
85.06528	3.2
85.10177	12.6
91.05476	21.9
93.07050	49.0
95.04972	2.8
95.08614	49.3
95.09232	2.4
97.06538	3.4
97.10162	4.4
105.07045	16.3
107.08603	28.7
109.10177	17.7
113.11603	1.6
117.07011	6.9
119.08585	13.1
121.10152	23.0
123.11707	8.0
131.08575	13.4
133.10143	8.3
135.11684	16.8
137.13271	4.9
145.10126	9.5
147.11708	5.8
149.13258	11.8
151.14890	2.0
159.11722	8.4
161.13252	5.9
163.14815	8.8
167.14384	1.7
173.13271	6.9
175.14769	1.9
177.16463	3.6
187.14821	5.1
219.17297	2.2
227.91092	1.7
233.22694	5.1
239.23656	6.5
243.21136	18.8
257.24780	2.5
261.22168	53.4
297.24509	2.0
313.27374	100.0
317.24719	12.6
335.25797	66.5
449.76346	2.1
499.45511	3.1
573.48737	18.5
582.26636	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.01860	3.9
55.05504	9.5
55.54036	2.2
57.03430	2.8
67.05507	18.1
69.03430	6.0
69.07059	6.8
69.69857	2.4
71.05000	4.2
71.08679	2.6
79.05482	17.4
81.03410	7.1
81.05814	2.4
81.07052	15.7
82.06564	2.8
83.08624	4.7
87.04464	2.9
91.05479	10.5
93.07053	26.0
94.06581	19.9
95.04963	5.4
95.08612	24.5
96.08161	4.0
97.06535	5.6
97.10165	2.6
98.20655	5.1
100.63461	2.5
105.07048	11.7
107.08590	4.9
109.06506	3.9
109.10152	3.2
110.09677	8.9
111.08096	12.3
121.10167	3.0
122.08969	2.9
122.09689	25.9
123.08080	26.5
128.10716	34.0
128.98627	2.6
131.08609	3.1
132.13155	3.0
136.41455	2.3
140.10709	100.0
141.09100	10.9
145.10106	3.7
158.11775	6.0
165.01906	2.9
189.12726	2.2
233.08101	3.0
272.25842	9.1
382.33258	8.8
394.33157	16.6
402.69907	2.7
412.34277	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	591.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
55.05521	14.5
57.03444	11.8
57.07082	42.2
57.56349	1.3
65.03940	3.5
67.05511	60.3
69.07068	15.4
70.72823	4.1
71.08640	26.5
74.94270	1.5
79.05064	2.7
79.05498	34.4
79.05959	1.8
81.07065	67.6
83.08626	14.1
85.06529	1.8
85.10187	13.4
87.08457	1.2
91.05486	18.3
93.07056	36.7
95.08613	60.2
97.10168	5.4
98.20940	1.6
99.08099	1.6
100.06564	1.6
105.07052	15.8
107.08598	27.0
109.06502	1.4
109.10170	29.0
111.11719	2.0
117.07018	7.6
119.08578	11.0
121.10149	20.7
123.11711	12.9
125.09619	1.9
131.08566	11.8
133.10130	10.4
135.11700	18.2
135.93248	1.5
137.13284	4.1
145.10155	9.1
147.11723	7.6
149.13284	10.7
159.11652	9.0
161.13293	6.4
163.14790	7.0
165.16377	1.6
173.13316	6.7
175.14821	2.9
177.16339	2.3
187.14822	5.3
214.84949	1.4
215.73387	1.6
233.22653	2.6
239.23759	5.3
243.21088	11.7
257.24704	2.1
261.22171	67.0
279.23230	3.3
313.27386	100.0
317.24829	12.5
335.25797	64.5
408.50049	1.6
499.45044	1.9
524.97461	1.4
573.48834	19.9
591.49933	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.7
55.01880	4.2
55.05521	14.4
56.64293	2.6
56.96562	3.4
57.03432	8.4
57.07068	6.9
61.02934	6.8
65.03939	4.3
67.05511	29.6
68.99805	2.9
69.03435	29.4
69.07072	28.6
71.04985	4.9
73.02926	6.8
79.05495	29.6
81.03425	30.3
81.07069	100.0
83.04974	10.6
83.08621	11.3
85.02912	58.1
85.06560	8.7
87.00845	17.6
90.59246	2.6
91.05508	20.4
93.07056	30.9
95.04974	21.5
95.08617	54.6
97.02907	21.5
97.10165	7.5
99.04459	10.5
105.01879	20.0
105.07058	29.7
107.04951	5.0
107.08601	22.9
109.02897	27.9
109.06510	8.0
109.10170	39.9
111.04443	8.0
116.22939	2.6
117.06984	4.2
119.04993	4.0
119.08598	22.1
121.06514	2.9
121.10143	25.7
123.04429	5.7
123.08062	3.6
123.11734	17.1
125.09639	4.6
127.03927	41.6
127.07585	6.0
127.11184	3.5
131.08582	10.1
133.10135	10.6
135.11664	21.1
137.13272	22.7
139.11166	2.6
142.07738	3.0
145.04942	11.0
145.10127	9.7
147.04468	13.9
147.08031	3.2
147.11723	17.8
149.13266	5.3
151.14827	3.0
153.12796	5.1
155.14331	6.9
157.10185	4.1
159.02878	3.8
159.11681	8.1
161.09590	3.5
161.13264	9.0
163.03918	6.7
163.11218	4.3
163.14790	5.8
165.12788	8.6
167.07111	3.7
171.13814	2.8
173.13316	6.7
173.15324	5.2
175.14806	5.2
177.12640	3.4
189.16357	4.7
213.03934	5.0
231.05023	14.8
237.14656	3.4
267.09045	7.3
267.15845	4.2
271.24329	8.3
277.25427	5.5
285.10123	6.1
289.25189	16.1
305.24750	3.2
307.26337	31.6
325.27264	4.3
343.28351	5.9
385.18753	5.4
387.20627	3.2
403.19666	4.6
443.58868	3.0
591.31476	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	591.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.6
55.01878	6.9
55.05513	18.3
56.96564	4.7
57.03436	7.7
57.07075	9.0
61.02932	5.6
65.03931	3.9
67.05517	34.5
69.03433	29.2
69.07069	47.2
71.04987	8.8
71.06390	7.8
73.02917	8.3
79.05495	24.8
81.03440	19.0
81.07064	100.0
83.05005	5.5
83.08620	14.1
84.08157	5.3
85.02915	43.5
85.06551	37.0
87.00844	15.5
91.05493	18.6
93.07053	46.0
95.04980	11.5
95.08616	79.0
97.02901	18.4
97.06516	6.3
97.10163	15.9
98.35744	3.4
98.97643	4.6
99.04451	7.3
99.08091	12.1
99.83058	3.6
102.77291	3.3
103.03938	3.9
105.01860	10.1
105.07030	38.1
107.04979	5.8
107.08599	47.7
109.02878	11.9
109.06493	6.4
109.10168	45.0
111.08107	8.4
111.11732	13.2
113.09630	5.4
117.07005	7.7
119.04964	5.0
119.08568	29.6
120.08128	3.6
121.06537	4.3
121.10155	36.4
123.04453	3.2
123.08095	4.8
123.11700	23.4
125.09626	8.9
127.03916	28.5
127.11201	4.8
131.08595	12.0
133.10135	24.2
135.11699	32.6
137.09586	5.9
137.13254	13.1
139.03900	3.3
139.11180	11.0
145.04965	8.3
145.10135	12.2
147.04414	8.8
147.11659	23.0
149.09540	4.1
149.13254	17.4
151.14909	3.4
153.12749	9.3
155.10608	4.6
158.83894	3.9
159.02905	4.6
159.11734	15.3
161.09604	3.2
161.13234	11.6
162.03131	19.8
163.03873	5.9
163.14853	8.4
165.12766	10.1
167.07031	4.9
171.52553	2.8
173.13275	8.8
175.14793	6.5
177.16364	17.6
187.14845	5.5
189.16327	5.3
195.17487	16.2
213.18474	18.1
215.17949	6.2
231.21132	5.1
241.11163	3.6
259.24384	3.4
271.24246	9.8
276.13467	3.4
277.25330	14.2
289.25272	24.0
295.26254	15.0
307.26254	29.3
311.05573	4.9
325.27478	16.9
325.30655	3.1
328.05780	10.6
343.04285	3.2
343.08121	56.2
343.28519	4.0
591.31226	2.9
611.00476	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	590.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21021	2.8
55.01874	3.3
55.05499	8.0
57.03436	12.3
57.07078	32.2
59.83482	2.2
65.03942	1.7
67.05506	20.0
67.85692	2.1
69.07063	7.4
70.72738	3.9
71.08636	24.3
79.05499	9.9
81.03425	59.1
81.07056	20.6
83.04967	4.0
83.08623	17.3
83.57240	1.9
85.10181	12.1
91.05473	13.9
93.07034	7.8
95.04971	15.3
95.08607	20.9
96.08961	1.9
97.10157	2.6
98.99986	2.1
105.07049	10.1
107.08538	3.1
109.10134	6.6
111.04367	2.1
111.08067	4.5
119.08585	10.5
121.06461	3.0
121.10090	3.8
123.11660	2.9
129.07005	5.8
131.08565	5.5
133.10144	5.3
147.11655	9.4
157.10085	8.5
175.11205	7.7
185.13206	2.4
193.12253	22.5
211.13174	3.6
211.20599	2.1
225.40712	2.2
239.23656	4.2
267.15930	95.0
313.27377	100.0
314.27744	5.6
471.17679	2.2
505.38892	73.1
512.63721	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72374	1.4
56.96562	2.2
60.17675	1.4
66.49237	1.2
66.86718	1.3
71.54675	2.0
98.97588	2.2
118.06554	18.5
123.04482	2.3
132.08101	5.3
139.03922	13.2
142.06622	2.0
143.07292	3.2
144.08087	14.3
146.06015	57.1
147.04404	4.1
159.09196	6.6
160.07634	2.1
170.06097	2.5
179.03400	3.3
188.07077	100.0
205.09723	37.0
237.02887	1.9
287.05484	5.8
292.64038	1.7
381.04968	4.3
390.36832	1.5
407.43802	1.5
425.08725	2.5
450.14865	2.0
453.47040	1.7
515.14069	2.2
555.11761	1.6
591.11066	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	590.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	11.6
57.03425	13.2
65.65300	4.3
67.05508	28.5
69.03413	8.4
69.07048	10.3
71.04982	3.9
71.55418	7.4
71.62109	4.3
79.05488	23.8
81.03418	73.5
81.07059	25.8
81.97598	3.8
83.04982	13.4
83.08607	17.4
85.02934	10.6
85.06555	6.2
91.05486	31.3
93.07044	25.2
95.04969	24.7
95.08601	11.5
97.06551	4.2
97.10172	6.3
105.07023	23.7
107.04962	10.0
107.08589	10.5
109.06567	11.1
109.10162	8.4
111.08073	7.5
119.08575	16.4
121.10155	14.3
125.09673	4.2
129.06992	15.8
131.08551	16.2
133.06546	6.4
133.10094	13.0
140.10742	6.3
145.10135	5.6
147.11673	15.3
157.10121	15.6
163.46973	3.9
168.12747	4.0
175.11174	9.1
189.11208	4.8
193.12234	33.9
211.13403	36.1
211.15175	7.1
227.12756	5.9
247.08417	5.2
267.15955	100.0
273.35986	5.3
285.16956	40.8
293.78760	4.3
349.21692	6.7
367.22672	10.1
383.63684	5.1
385.23810	10.3
459.27515	45.9
477.28561	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65118	0.4
52.73506	0.4
55.05506	0.9
56.05024	1.4
57.03427	0.6
58.06602	1.6
60.08168	16.7
67.05490	0.6
69.03428	1.1
69.07058	1.8
70.06562	0.7
71.07381	5.9
71.39310	0.5
71.39650	0.4
72.26083	0.5
76.04069	0.4
79.05486	0.9
81.03406	0.7
81.07092	0.5
83.08583	0.5
83.29857	0.5
85.02877	0.6
86.09711	49.1
93.07061	0.7
95.08635	0.5
97.02924	0.6
97.06548	0.7
98.98460	3.1
104.10750	100.0
107.08617	0.6
125.00011	27.5
127.03894	0.7
135.11713	1.5
153.12744	0.6
184.07352	93.7
232.57652	0.5
245.17543	1.3
258.11023	1.0
343.54971	0.5
410.23108	2.8
428.24130	42.7
505.93802	0.5
521.66785	0.5
572.28387	4.9
590.29504	23.4
591.20459	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20638	2.9
53.03936	4.3
55.05511	17.1
57.03440	10.4
57.07079	49.2
67.05511	43.4
69.07068	20.8
70.61617	3.1
70.80916	6.8
70.81267	2.9
71.04989	4.1
71.08642	32.6
75.61818	2.6
79.05502	31.4
81.07063	47.4
83.08626	16.7
84.59376	2.5
85.10207	13.2
91.05487	47.7
93.07050	38.9
94.04288	2.7
95.04965	3.6
95.08617	39.0
97.06576	3.4
97.10169	6.4
105.07034	55.5
107.08624	19.6
109.10127	19.0
117.07019	13.9
117.21854	2.6
119.08597	45.3
121.10149	21.3
123.11731	6.1
129.06970	6.6
131.08580	18.1
133.10138	39.2
135.11699	16.4
143.08568	9.3
143.23839	2.8
145.10132	18.8
147.11708	39.8
149.13309	8.9
157.10167	10.1
159.11703	11.7
161.13287	33.9
163.14830	3.3
171.11671	8.7
173.13268	8.3
175.14856	14.4
185.13300	8.8
187.14813	3.9
199.14864	5.3
213.16347	3.3
231.21077	10.0
239.23647	5.9
241.19511	40.0
259.20605	84.7
277.21539	4.6
286.98721	3.0
313.27374	100.0
315.23370	5.4
333.24225	44.2
571.47003	11.2
589.41229	4.1
589.47827	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	589.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.0
55.05513	19.3
57.03447	8.5
57.07085	40.3
67.05178	4.0
67.05515	44.5
69.07077	23.1
69.51991	21.8
71.08634	33.3
79.05511	33.5
81.07072	52.7
83.08626	12.3
85.10184	15.2
85.18891	3.6
85.33075	3.7
91.05488	50.9
93.07065	42.2
95.04997	3.8
95.08620	39.4
97.10172	8.6
99.08113	5.2
99.09176	3.2
100.61640	3.2
102.66586	3.2
105.07043	57.0
107.08615	22.7
109.10155	17.4
109.34892	2.9
117.07032	9.4
119.08598	41.3
121.10172	18.3
123.11730	4.0
129.07037	6.1
131.08546	17.2
133.09279	3.4
133.10173	39.2
135.11703	18.4
142.45813	3.5
143.08566	6.5
145.10158	17.2
147.11731	34.9
149.13266	12.1
157.10164	7.0
159.11691	14.3
161.13280	25.7
163.14969	4.7
171.11751	10.0
173.13274	9.1
175.14896	7.2
179.14357	4.4
185.13235	3.9
199.14836	7.0
213.16441	4.4
223.47940	3.6
231.21074	9.3
239.23628	6.3
241.19556	34.2
259.20621	83.7
277.21652	7.1
313.27420	100.0
317.34421	3.4
329.53867	3.4
333.24228	55.4
335.63147	3.5
402.12982	3.5
431.16351	3.7
571.47266	8.9
589.47815	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	589.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
54.68443	0.6
55.01866	2.3
57.03424	2.8
61.02930	1.3
61.03763	0.7
65.03936	0.6
67.05507	0.8
68.99796	2.0
69.03435	11.0
69.07066	0.7
70.87740	1.5
71.05002	1.0
73.02924	1.7
79.05488	2.0
81.03421	12.6
81.07060	2.3
85.02441	1.0
85.02916	16.9
87.00832	7.0
91.05473	6.0
93.07067	1.7
94.04198	2.9
95.04974	0.8
95.08640	1.2
97.02898	7.4
98.97577	0.6
99.04462	3.5
103.05463	4.6
104.06254	1.1
105.01884	4.8
105.07056	3.8
107.04960	1.2
107.08553	1.0
107.97806	0.7
109.02885	10.2
109.06529	2.3
111.23014	0.6
111.78172	0.6
115.05495	3.5
117.01845	1.5
117.03362	0.9
117.05463	0.6
117.07022	2.4
119.08572	4.0
121.06547	0.6
122.03654	8.5
127.03928	13.8
128.06261	2.6
129.01852	1.4
129.07008	2.5
131.04921	7.2
132.05711	2.4
133.06493	2.9
135.11659	1.1
137.05988	100.0
138.06256	0.8
141.06999	2.4
143.04906	0.9
145.04950	2.7
145.06538	0.8
146.03629	1.5
147.04382	1.8
147.08098	3.9
147.09103	0.7
149.05956	1.2
149.58821	0.7
156.05664	0.9
159.02930	5.0
159.07986	1.5
160.05186	3.1
161.05995	14.9
163.07555	14.9
167.07001	1.0
169.06422	1.3
171.07999	1.1
175.07558	53.0
177.05458	1.0
183.11708	0.8
184.05269	2.3
187.07605	3.8
189.09143	1.4
190.07886	0.8
191.08578	2.9
192.09364	1.1
199.07550	15.7
201.09167	2.1
202.07771	5.9
203.06917	1.3
203.08600	12.2
204.09389	1.0
213.07121	0.9
218.07297	1.0
219.08047	6.0
220.08856	3.9
221.09665	0.8
222.06982	0.8
230.07249	1.5
231.05000	1.2
231.05476	0.8
231.08066	15.5
231.10266	1.2
232.08829	2.7
235.07492	0.7
236.08339	0.7
237.09074	1.2
243.08005	0.7
245.09650	0.9
247.07535	3.6
248.08311	7.8
249.09158	1.3
251.10641	3.8
258.06815	1.5
259.07565	10.0
260.08398	3.2
261.09106	1.2
263.10760	8.0
265.08600	1.1
273.08939	1.0
275.07150	1.8
275.10699	0.7
276.07779	5.8
277.08636	5.8
279.10223	3.5
280.10852	1.3
289.08365	0.7
291.10172	19.7
291.13416	1.1
292.10959	6.2
293.08295	3.6
293.11304	1.2
295.09875	1.5
295.13324	3.1
307.09650	1.3
308.10434	4.0
311.12793	8.6
321.11215	1.1
323.12793	47.0
325.14349	4.9
335.12726	1.3
341.13907	1.7
401.14285	0.9
530.60767	0.7
548.38971	0.7
589.31390	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	589.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63904	2.7
56.96565	17.9
58.99854	3.4
68.98290	2.3
81.03428	4.4
82.99873	3.3
84.96053	7.2
85.02962	2.7
89.00903	4.4
89.03929	7.4
91.05500	6.4
97.01455	2.5
98.97587	16.8
101.00891	28.6
109.02885	7.4
110.97602	6.8
112.99149	2.8
113.00867	7.8
115.02458	6.3
116.98599	3.2
117.03403	7.2
118.80600	2.3
119.01933	38.6
119.04932	14.6
124.99131	5.3
127.02449	5.5
128.98660	4.0
131.00211	3.9
131.01938	14.3
133.03488	5.8
135.01413	2.6
135.04422	10.6
139.02417	9.3
142.01158	3.4
143.00160	8.1
143.01923	38.4
145.01823	4.9
145.02820	12.3
145.03577	10.3
147.01385	3.6
147.04425	68.4
149.01245	2.6
152.14371	2.7
155.01891	12.6
156.02704	6.1
157.03502	30.0
158.99670	4.3
159.01443	5.4
159.05054	2.6
161.01579	4.1
161.02968	25.7
163.03906	54.4
167.01939	10.3
169.03482	6.6
171.01448	3.2
171.05051	4.0
173.01482	4.9
173.02988	18.2
175.02805	3.0
175.04486	5.5
177.05498	18.0
181.03467	4.5
184.02184	8.3
185.03004	22.8
187.04494	6.1
197.02870	3.5
199.04633	12.5
201.00746	2.8
201.02449	3.5
203.02058	6.0
203.04005	11.3
205.03535	6.8
209.03075	3.6
215.04004	3.7
217.05621	10.8
219.01738	5.0
219.05153	2.8
221.02983	60.0
221.04996	4.4
223.04536	7.1
229.03606	4.1
233.03302	3.7
233.97632	2.9
235.04543	4.0
235.06657	43.8
236.31984	2.4
239.02048	5.7
239.04301	12.2
245.02881	5.1
245.05013	12.8
247.04604	23.5
251.04419	21.1
253.05589	4.2
253.07770	41.4
257.05252	12.8
259.04562	10.1
261.06091	5.8
263.04004	11.7
263.06409	4.1
264.04553	2.9
265.03546	2.6
265.05692	28.0
269.05496	36.4
271.06732	2.8
275.02380	2.8
275.06491	3.4
277.07806	86.0
281.05078	6.0
283.06555	3.1
287.03809	3.2
287.06619	5.5
289.07953	6.2
291.05801	10.3
293.03137	4.6
293.05853	3.0
295.09067	46.4
303.09317	15.4
304.63086	2.6
305.05463	2.4
307.06296	7.2
309.06815	5.9
311.06427	4.0
319.06741	3.5
321.06726	10.4
321.10422	3.1
337.08047	5.0
339.07764	9.6
339.96030	2.7
351.06082	2.7
365.07022	3.9
379.04645	5.6
379.08850	24.5
391.06946	7.7
395.07050	5.0
397.09943	100.0
409.08328	48.1
411.11368	4.1
415.11136	39.5
421.06174	4.9
425.06161	15.9
427.08646	10.1
439.07224	10.6
443.07327	16.0
469.08340	9.8
571.11511	23.2
589.12543	9.5
589.20337	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	587.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42960	1.1
51.76451	1.2
55.05521	12.7
57.07081	6.5
67.05506	25.3
67.52427	1.1
69.07070	21.6
69.88463	6.3
71.08633	2.8
79.05503	2.5
81.07063	40.8
83.08624	27.6
85.10193	2.5
87.90562	1.3
91.05501	2.7
93.07036	5.6
95.08608	72.5
97.10174	16.0
97.55047	1.1
105.07037	3.0
107.08595	2.4
109.10158	31.2
111.11752	6.8
115.77564	1.1
119.08564	3.3
123.11706	16.4
125.13246	6.3
133.10146	4.2
135.11754	1.9
137.13248	10.7
139.14818	2.1
142.92998	1.4
147.11737	1.8
151.14825	4.2
165.16364	2.5
193.19510	3.7
211.20573	17.8
221.22618	15.4
236.93025	1.5
239.23706	100.0
241.76642	1.4
245.22702	4.4
256.16827	1.3
263.23737	5.2
275.20267	1.7
281.24799	4.3
299.25827	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	587.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15319	2.6
55.05515	25.1
55.70980	2.6
57.07063	11.1
67.05190	2.4
67.05514	42.6
69.07072	31.2
70.67109	7.9
71.08613	6.5
74.09705	2.4
75.30909	2.7
79.05492	7.7
81.07066	58.2
83.08623	32.8
91.05476	7.7
93.07041	10.8
95.08614	100.0
97.10181	19.9
104.78634	2.6
107.08581	5.3
109.10161	36.7
111.11745	13.2
111.14258	2.4
119.08591	4.6
121.10161	5.3
123.11724	21.9
125.13253	4.8
126.26967	2.4
129.05530	2.7
131.08566	2.9
133.10156	5.7
135.11736	2.9
137.13252	11.8
139.14812	4.2
145.10146	2.6
147.11688	4.6
154.53458	2.5
159.11621	2.4
161.13278	2.6
165.16362	2.4
193.19547	7.1
211.20609	30.7
221.22606	14.9
239.23729	91.0
245.22729	3.2
271.22720	2.9
295.01917	2.7
299.25760	7.6
529.02319	2.5
587.46167	8.5
590.95605	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	589.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	7.1
57.63497	1.0
58.99863	3.4
71.53651	1.4
72.50120	1.1
77.00897	3.9
78.31128	1.0
84.96037	4.5
89.00864	1.4
91.05486	12.2
92.83179	1.0
98.97609	5.8
101.00884	19.0
110.97572	2.5
113.00904	2.5
115.02447	3.5
116.98636	2.6
117.03389	1.5
119.01936	27.4
119.04951	26.6
126.19489	1.1
127.02454	1.5
128.98613	1.6
129.00388	1.5
130.98395	1.2
131.00133	1.4
131.01912	4.3
133.03496	1.6
133.06468	1.1
137.02948	2.3
140.98608	1.3
143.00166	3.0
143.01907	32.5
145.02725	2.1
145.03659	2.3
147.04419	100.0
155.01862	1.4
157.03488	4.5
158.99715	1.5
159.01395	2.1
161.01460	2.0
161.02968	28.6
161.04317	1.5
163.03862	6.2
169.03474	3.1
173.01334	2.1
173.02982	4.1
175.04457	2.0
177.02438	4.8
177.05505	8.7
185.02940	3.0
187.00865	2.1
187.02521	1.5
187.04565	2.6
191.00352	1.9
195.03290	1.4
197.45102	1.4
201.02405	1.5
203.04050	4.7
205.01944	1.9
205.03534	7.7
217.05667	1.5
219.01689	1.9
221.03024	7.3
223.04533	9.9
229.03511	11.0
233.03322	1.7
235.06682	3.8
239.02240	3.0
241.05649	2.9
245.05078	1.4
247.04596	32.3
251.04417	11.3
253.07820	3.6
259.04599	2.7
261.02457	1.8
261.06128	3.5
265.05640	26.8
269.05463	16.4
275.02505	5.1
277.08069	6.9
279.07208	1.9
283.06622	3.8
287.06625	2.5
293.03207	14.0
295.06107	1.7
295.08798	4.0
307.06528	3.1
311.06570	3.5
315.88422	1.3
335.04575	1.4
351.05670	3.1
361.04062	2.8
379.04617	11.9
379.08939	3.5
397.05411	11.1
397.09964	8.1
407.03046	12.5
409.08118	3.9
415.11169	2.2
421.06113	2.5
425.04074	17.3
427.08670	1.5
439.07138	6.3
443.06906	5.4
469.08200	2.3
553.06879	3.9
571.08405	2.1
589.18713	1.9
594.94055	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85414	5.2
55.05513	19.9
57.07073	19.3
67.05514	43.0
69.07078	32.4
69.92798	11.3
69.93208	21.9
71.08632	6.6
76.82383	5.7
77.39221	4.7
79.05493	12.0
81.07064	62.0
83.08630	27.3
91.05495	17.7
93.07044	13.4
95.08619	100.0
97.06528	6.4
97.10217	26.5
98.20963	10.0
98.21497	6.9
105.07063	16.9
107.08611	7.4
109.10180	38.4
111.11738	10.2
119.08544	6.7
121.10169	5.6
123.11718	20.7
137.13300	12.2
151.14783	6.6
193.19412	8.2
211.20563	51.9
221.22673	13.7
239.23721	65.3
273.15366	5.1
275.20148	7.2
278.11401	6.5
330.41800	6.0
373.92746	5.0
460.19022	5.4
489.70990	6.7
500.44434	5.5
587.46466	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	587.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02306	1.0
55.05514	16.8
57.07083	8.8
67.05177	2.2
67.05509	33.8
69.07072	29.5
70.66553	2.3
70.66918	2.2
71.04978	1.0
71.08637	3.0
74.14438	1.1
79.05491	6.1
81.06581	2.4
81.07064	49.9
83.08630	32.0
84.65801	1.0
85.06554	1.3
85.10182	2.1
91.05501	5.2
93.07067	7.3
95.08614	88.4
97.10177	21.6
105.07029	4.6
107.08612	3.0
109.10165	36.0
111.11720	7.9
111.90179	0.9
119.08602	3.2
121.10148	3.6
123.11715	17.1
125.13274	5.0
129.86159	1.1
133.10139	5.0
135.11702	1.4
137.13263	8.7
139.14749	2.9
147.11673	2.3
149.13332	1.4
151.14790	5.2
161.13249	2.1
165.16380	3.2
175.14804	1.6
185.00529	1.2
193.19508	4.3
209.70905	1.0
211.20602	19.2
219.20970	1.9
221.22646	15.4
223.99226	1.1
235.20386	1.4
239.23718	100.0
245.22713	4.4
255.22928	1.2
263.23669	4.1
271.22794	1.7
275.20041	1.6
281.24939	3.0
290.27734	1.5
293.22186	1.3
299.25876	9.7
477.97208	1.1
564.64960	1.1
587.46027	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20848	12.8
56.65687	11.9
69.03423	21.5
70.06595	31.0
70.99525	14.8
70.99837	18.1
75.72986	11.1
81.07033	20.5
83.04998	20.8
85.02898	13.6
86.09705	18.9
93.56308	12.3
95.08614	16.9
99.04469	12.9
119.08579	14.2
121.06537	14.1
135.08107	57.6
147.04419	13.8
172.08914	12.8
187.11018	14.9
199.11166	35.3
203.10689	19.3
215.10657	77.4
227.10689	46.5
233.11786	25.8
237.14407	32.9
237.64597	24.7
245.11748	72.7
246.14937	100.0
246.65015	70.0
263.12839	18.5
371.14847	25.9
389.15839	14.8
410.22034	16.2
411.22589	27.0
587.13257	12.9
587.25824	26.5
597.71338	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	587.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42638	1.9
53.03960	9.4
54.57116	1.8
55.01880	10.6
55.05272	2.1
55.05516	32.0
55.10426	1.8
57.03445	10.5
57.07075	4.3
65.03952	5.7
67.05509	86.2
69.03403	4.3
69.07072	17.3
70.94122	4.2
71.01360	5.0
71.04984	5.9
75.43715	2.1
77.03901	2.4
79.05499	62.9
81.03421	33.8
81.06580	3.9
81.07063	68.1
83.04977	8.2
83.08620	12.7
85.06538	3.0
91.05484	43.8
93.07050	56.4
95.04372	4.0
95.04977	74.0
95.08616	45.1
97.06509	5.1
97.10140	9.4
101.10688	1.7
103.05514	2.9
105.04548	2.8
105.07040	29.1
107.04961	17.8
107.08602	36.2
109.02900	17.2
109.06525	11.5
109.10164	21.1
111.04449	2.9
111.08076	3.9
115.05453	3.3
117.07027	22.1
119.08598	25.1
121.06503	7.8
121.10149	23.0
123.04435	78.0
123.08087	4.1
123.11717	3.1
125.09630	8.5
129.06981	9.3
131.04955	3.9
131.08566	17.2
133.10156	12.2
135.08058	5.5
135.11713	19.7
137.05974	5.2
137.09586	3.1
137.13171	2.0
139.11163	2.2
143.08562	9.9
145.06503	5.6
145.10139	30.1
147.08069	7.6
147.11682	11.3
149.06053	2.7
149.09618	5.4
149.13235	5.7
153.09140	8.5
155.08591	5.0
157.06578	2.4
157.10152	6.0
159.08011	3.1
159.11705	6.3
161.09578	2.4
161.13257	7.1
163.11198	23.0
166.07726	2.3
169.10123	3.1
171.11673	14.2
173.09584	9.4
173.13286	6.8
175.11176	2.1
183.11755	3.2
187.14888	3.7
189.11224	3.4
189.12759	10.6
191.10674	5.3
201.12628	1.8
205.12297	2.0
207.13829	15.0
217.12227	8.9
223.13264	3.1
235.13298	97.5
243.21124	3.6
261.22137	8.6
291.16107	2.9
309.16971	57.0
317.24622	2.1
325.25220	2.5
335.25818	100.0
477.33517	4.4
495.34491	6.2
551.37250	4.6
569.38379	57.8
581.14972	1.8
587.39673	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	587.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55711	2.0
53.03941	7.8
55.01861	9.8
55.05511	31.7
57.03442	15.0
57.07060	2.3
65.03932	7.1
67.05509	84.2
69.03422	3.5
69.07072	19.5
71.01352	7.1
71.04973	3.2
73.02860	2.1
79.05498	65.6
81.03426	31.0
81.07064	68.2
83.04967	6.1
83.08618	9.2
85.06580	3.3
91.05482	41.3
93.07047	64.6
95.04373	3.7
95.04971	68.5
95.08064	3.2
95.08617	48.5
97.06529	5.3
97.10167	7.1
105.04508	3.4
105.07036	31.8
107.04951	18.7
107.08605	36.3
109.02888	15.2
109.06499	8.7
109.09541	2.5
109.10165	20.2
111.04456	2.4
111.08051	4.2
115.05396	2.5
117.07003	17.2
119.08592	23.5
121.06516	6.6
121.10153	23.0
123.04436	68.7
123.08038	3.5
123.11678	3.1
125.09632	9.0
128.06294	2.3
129.07018	10.5
131.04944	4.2
131.08568	16.4
133.06479	5.2
133.10118	13.9
135.08047	7.1
135.11713	18.3
137.05980	4.5
137.09618	3.1
139.03896	5.2
143.08563	8.1
145.06490	5.2
145.10127	24.8
147.08015	6.7
147.11658	10.9
149.05940	4.0
149.09601	3.8
149.13264	5.8
152.03836	2.3
153.09126	5.8
157.10107	5.5
159.08022	3.6
159.11725	4.5
161.13269	4.2
163.11154	20.0
163.14886	2.8
165.12720	3.6
171.10379	2.2
171.11694	9.4
173.09645	13.0
173.13202	4.5
175.14761	3.1
187.14771	3.6
189.12753	14.6
191.10565	6.0
199.11197	3.4
205.12306	3.2
207.12093	2.3
207.13811	13.1
211.14764	2.5
217.12239	11.9
235.13301	93.4
253.14391	6.2
261.22134	8.8
273.14679	3.9
287.20261	3.3
291.15811	3.5
309.16995	52.9
325.25482	2.5
335.25812	100.0
477.33490	6.0
495.34885	5.3
551.37097	3.5
569.38342	54.8
587.40149	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	586.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	3.5
57.07063	1.1
58.25949	1.1
59.04991	1.2
68.18697	1.1
69.07082	1.6
69.21262	5.2
69.21690	5.1
70.02950	1.2
72.04520	4.2
84.96058	1.1
85.02884	1.9
85.06553	2.9
90.05563	38.2
91.05492	5.7
92.05830	1.2
95.04955	1.7
98.02442	5.5
98.97577	3.3
100.56883	1.3
101.00922	1.4
103.07600	2.8
113.06045	1.4
116.03469	4.0
118.06564	4.6
119.01900	3.8
119.04964	7.9
120.02048	1.9
120.05292	1.9
124.07600	4.8
132.08080	1.3
137.06004	1.8
138.93120	1.1
142.08643	2.1
143.01936	2.3
144.08115	1.7
145.02814	2.0
146.06032	16.2
147.04434	30.9
147.06342	3.2
148.04750	7.5
160.09634	1.2
161.02968	1.2
163.03992	1.5
166.08670	1.3
174.11314	1.1
177.02437	1.2
177.05498	3.3
184.09715	9.6
188.07080	23.0
189.07428	5.4
202.10765	11.2
203.07718	1.3
204.07785	1.5
205.09712	8.6
206.03801	1.4
206.10002	2.9
220.11827	100.0
221.01257	1.4
224.04747	1.6
230.03682	3.0
239.02272	2.8
245.08607	1.2
247.04500	2.7
248.04788	4.9
257.03345	1.4
265.05676	2.7
266.05798	4.3
279.01636	1.3
284.06647	1.3
310.03305	1.4
350.10068	1.2
380.05438	2.1
395.02911	3.3
398.06253	3.7
413.03647	1.4
423.00903	1.5
468.05780	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38616	0.3
55.05481	0.8
67.01858	0.6
67.05495	1.2
68.99776	1.3
71.28284	0.4
71.30485	0.2
79.05480	1.4
81.03391	1.0
81.07068	1.4
83.08610	0.4
85.02879	0.5
91.05502	1.3
93.07021	0.8
95.04940	0.8
95.08578	0.9
96.36283	0.2
96.69468	0.2
97.10163	0.2
105.03403	0.3
105.06992	0.8
107.08559	0.8
109.02869	0.7
109.10104	0.4
110.03593	0.3
111.00810	0.5
115.05408	0.4
119.08633	0.3
121.02837	0.8
123.04415	0.3
128.06230	0.3
129.07005	0.4
131.04878	0.4
133.06520	0.4
133.10074	0.4
135.04384	0.7
137.02356	3.3
145.06451	0.7
147.04419	0.3
147.08038	0.4
149.02341	0.3
153.01842	6.3
155.04877	0.7
161.05949	0.8
163.03891	0.5
165.01833	1.1
173.05940	0.7
177.05508	0.4
179.03442	0.4
183.02864	0.4
183.04388	0.6
184.07137	0.3
184.34392	0.3
185.06090	0.3
187.03844	0.6
189.05449	0.7
195.02875	0.3
195.73360	0.3
200.04767	0.6
201.05385	1.5
203.03400	15.3
211.03947	0.3
213.05446	0.5
217.04950	0.5
227.03384	0.8
228.04227	1.6
229.04979	15.6
236.13457	0.3
239.03265	0.4
241.04945	0.7
245.04402	1.1
247.06084	0.3
250.23219	0.3
255.02867	0.5
256.03510	0.3
257.04468	100.0
258.05249	22.3
269.04468	0.8
273.03943	10.9
273.14938	0.4
274.04709	1.8
285.03955	9.2
286.04739	35.8
287.05511	39.6
288.05832	0.5
297.03934	3.5
301.03448	5.1
301.14301	1.1
301.99194	0.4
302.04236	21.4
303.05008	49.3
304.05383	0.4
388.93643	0.3
424.26862	0.4
527.29285	0.3
569.07172	0.7
569.31366	1.3
586.29584	0.5
587.08246	57.2
587.32642	1.4
588.08655	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57597	0.8
55.01867	1.4
55.05494	0.7
57.03428	0.7
60.37123	0.7
67.05495	1.1
69.03424	1.3
70.06572	0.8
72.76360	0.7
76.02248	0.8
79.05516	0.9
81.03420	0.9
81.07039	1.1
82.06577	0.7
84.04471	0.8
85.02911	1.6
86.09705	2.4
90.05563	1.0
90.46266	0.7
91.05478	1.1
93.07042	0.7
94.06571	3.8
95.08601	1.3
97.02899	0.8
106.06548	2.7
108.04440	0.9
109.10120	0.8
116.01678	1.0
116.81845	0.7
118.06600	0.8
119.08598	1.0
120.04482	0.8
120.08102	1.5
122.06043	1.4
124.07590	0.9
131.08646	0.9
134.06059	4.0
136.03911	1.0
136.07610	2.0
137.05946	0.7
146.06015	1.4
148.07611	1.1
150.05556	1.7
152.07089	0.9
158.02751	1.6
162.05534	1.7
164.07111	3.5
166.04955	1.4
166.08629	2.4
176.03413	6.6
180.10196	1.8
183.09181	0.8
184.10010	0.9
185.10670	0.8
188.03473	1.4
189.75031	0.7
191.77365	0.7
193.06454	2.5
197.10780	2.9
199.08698	3.7
199.12297	1.1
201.10289	0.8
202.08791	0.7
203.04826	1.1
206.04550	1.3
206.08145	4.7
211.08757	2.4
212.09422	4.2
213.10257	10.6
215.08243	1.0
225.06618	0.8
225.10226	7.3
226.11009	1.1
227.08176	13.8
227.11833	3.2
238.07347	1.0
239.08081	3.4
239.11784	0.8
240.08945	15.8
241.09727	34.2
242.10472	1.1
243.11227	0.9
253.09758	20.2
254.10468	5.6
255.11279	3.2
256.24115	0.8
257.09262	2.2
267.07773	1.4
267.11337	3.5
269.12857	2.3
271.10840	8.9
272.11594	4.8
279.11456	0.9
281.09235	19.6
282.10010	6.2
283.10715	1.2
285.08829	1.4
285.12418	2.1
287.13992	2.2
295.10788	1.9
297.12366	1.8
299.10284	60.8
300.11050	16.6
301.11829	2.1
313.11844	19.6
323.10532	1.1
327.13504	1.5
341.11389	2.9
345.14496	10.9
347.16043	2.5
355.13086	1.3
359.12433	2.7
373.13977	100.0
374.14423	2.6
401.13693	2.0
428.15970	1.1
446.17062	1.2
460.18735	1.4
464.18460	5.4
467.83755	0.8
474.16718	1.1
488.18710	3.4
490.15390	1.1
492.18179	1.6
496.20822	13.7
500.14734	1.1
506.19366	3.4
518.15527	1.6
522.18744	3.7
524.19977	1.3
532.18109	1.2
536.16925	1.7
550.18365	11.7
568.19232	2.8
586.29095	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.05515	22.6
57.07087	16.0
65.03940	2.4
67.05177	3.2
67.05514	49.8
69.03447	11.8
69.07076	32.2
69.17769	21.1
69.37850	1.8
71.05003	2.7
71.08627	7.7
71.97340	2.0
79.05498	21.5
81.07066	62.9
83.04987	7.8
83.08633	31.9
85.10181	3.9
89.06038	1.9
91.05485	14.1
93.07052	31.6
95.04997	4.4
95.08617	100.0
97.06541	4.5
97.10179	20.9
98.21497	4.6
104.78326	1.8
105.07031	15.6
106.07330	3.3
107.08607	20.4
109.06515	2.9
109.10169	45.0
111.04450	14.1
111.11729	7.2
115.24599	1.8
117.07027	5.0
119.08594	21.0
120.08912	5.3
121.06512	2.1
121.10166	30.1
123.08131	4.2
123.11723	18.4
125.05991	3.2
125.13276	5.3
129.05501	20.1
129.07047	2.6
130.23709	1.8
131.08563	8.4
133.10156	16.8
133.67334	2.0
135.08073	3.0
135.11728	18.4
137.09596	3.8
137.13289	10.3
142.07770	2.9
143.08565	7.3
145.10159	18.4
145.67686	1.9
146.10532	2.7
147.08080	3.3
147.11688	5.2
149.13242	3.4
151.07567	3.5
151.14827	5.5
156.09120	2.4
157.10167	9.9
158.10521	2.3
159.11720	9.5
160.12111	3.6
163.11227	4.7
163.14790	2.4
165.09122	4.4
165.16492	2.8
169.10136	2.8
170.10892	2.0
171.11688	3.7
173.13229	3.9
175.14809	3.8
183.11624	2.4
185.13130	2.3
186.13672	2.1
191.17982	29.7
193.19592	2.8
195.11600	2.3
197.13245	2.8
208.14195	2.2
209.18996	23.7
210.13736	2.8
211.20581	17.7
215.18063	4.5
219.21094	5.5
221.15323	9.9
221.22644	16.6
222.15756	4.9
233.19069	5.4
237.22148	6.9
239.23709	90.4
243.21199	2.1
245.22746	6.3
251.20073	10.6
263.23895	1.9
269.21176	28.9
287.19739	2.4
297.24350	6.2
299.25891	6.1
352.23984	5.8
353.24295	11.7
366.25345	2.4
386.83508	2.3
420.66159	2.4
439.31192	3.4
480.76141	2.4
505.36426	21.0
562.17035	2.2
585.43024	2.3
585.56079	3.2
614.37939	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	585.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
55.01872	2.1
55.05516	23.8
57.06824	3.5
57.07082	33.2
58.25335	2.2
65.00687	1.9
65.03941	2.3
66.16302	1.7
67.05513	52.9
69.03443	12.9
69.06722	2.7
69.07072	33.9
69.96586	9.4
71.05006	3.5
71.08636	26.9
79.05495	28.4
79.05917	3.1
81.07063	73.8
82.81328	1.7
83.04978	11.1
83.08624	29.6
85.06548	5.1
85.10190	13.5
88.69711	1.7
91.05488	12.1
93.07049	41.6
95.04969	4.7
95.08616	96.1
97.06527	10.1
97.10182	19.9
98.21532	1.9
105.07041	15.5
106.07384	2.5
107.08606	24.1
109.06525	3.3
109.10168	48.7
111.04465	15.4
111.11712	10.3
117.07022	6.2
119.08583	21.8
120.08894	2.4
121.06459	2.6
121.10152	44.3
123.08105	4.9
123.11726	22.9
125.13221	2.7
129.05489	18.1
129.07034	3.3
131.08566	8.5
133.10147	8.7
134.10493	3.1
135.08096	5.1
135.11697	25.3
137.09608	2.7
137.13234	8.8
139.07545	2.5
142.07890	2.5
143.08530	6.7
144.08992	2.5
145.10152	15.9
145.90222	1.9
146.10452	2.4
147.08104	1.9
147.11684	7.0
149.09607	5.3
149.13249	5.5
151.14868	4.6
153.09061	2.2
155.08472	2.0
155.14293	3.3
156.09361	3.6
157.10156	9.2
158.10622	3.3
159.08099	2.0
159.11661	6.8
161.13286	3.6
163.11136	3.0
165.09195	5.1
166.09462	3.2
169.15839	10.9
171.11699	4.7
173.13310	4.1
173.63107	2.1
175.14771	4.0
181.12241	2.5
183.11703	3.7
185.13220	2.0
187.14664	2.4
191.17952	18.5
193.10164	1.9
193.19514	10.9
195.11716	2.7
196.12299	2.6
197.13071	2.8
197.19014	5.4
203.14293	2.2
205.19559	3.3
209.19012	30.9
211.20575	47.5
215.17995	2.5
217.19644	4.0
219.21098	21.4
221.13417	2.1
221.15411	5.9
221.22643	3.8
222.15675	5.5
223.20747	2.3
224.15131	2.3
226.16870	2.0
229.21997	2.2
233.19049	2.6
233.22606	2.3
235.20410	2.9
237.22090	19.6
239.23749	20.1
243.20943	3.0
251.20108	11.8
253.21613	2.3
261.22311	2.4
269.21133	100.0
271.22656	7.6
279.23267	9.0
297.24289	50.1
331.74881	2.1
352.24014	5.8
353.24384	7.0
366.25168	2.3
490.34152	2.5
492.35468	2.7
497.87799	2.6
504.36050	4.4
505.36346	18.9
585.42749	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	27.7
57.07066	15.7
64.25142	3.4
66.09867	3.5
67.05181	6.2
67.05511	63.8
69.03446	6.5
69.07069	41.4
70.74261	7.5
71.04996	6.6
71.08630	8.9
79.05498	45.3
81.07066	98.1
83.08628	23.4
85.06540	5.9
85.10162	5.9
89.06019	7.6
91.05512	24.7
93.07054	54.5
95.04949	5.8
95.08620	100.0
97.06501	8.1
97.10185	28.8
99.08003	4.3
105.07059	23.4
107.08612	34.5
108.75702	3.8
109.10165	43.9
111.04469	11.7
111.11703	14.7
115.05461	4.5
117.07018	10.0
119.08586	22.8
121.10159	66.2
123.08053	9.3
123.11716	20.7
129.05498	8.8
131.08643	21.0
133.10150	13.4
135.08081	6.3
135.11714	35.6
137.09612	5.2
137.13246	15.6
139.07585	5.0
143.08565	13.0
145.10115	14.7
146.10440	9.9
147.11694	11.3
149.09601	5.5
149.13257	10.2
151.14841	4.8
153.09132	9.7
157.10196	9.4
158.10353	4.6
159.11690	8.8
161.13263	5.9
163.11154	4.1
163.14835	8.2
165.85089	4.4
171.11636	5.0
173.13278	4.4
177.11130	4.0
181.12309	5.0
183.11821	5.4
187.14738	4.8
193.19528	15.3
195.11893	6.8
211.20609	55.0
217.19557	10.0
219.21100	80.2
233.13181	4.0
233.22679	4.9
237.22133	52.0
239.23827	5.5
243.21117	15.1
251.20184	4.4
261.22192	16.2
271.22687	6.7
277.19330	4.6
279.23242	32.3
286.01056	4.1
297.24258	8.5
352.23880	6.4
353.24466	9.0
505.35922	11.4
585.44342	5.4
585.56024	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	585.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	6.0
53.03943	8.6
54.04137	4.6
55.05521	24.4
57.07065	18.8
59.59937	3.9
60.23394	4.4
67.05505	46.7
69.03445	11.4
69.07072	39.2
69.22456	4.6
69.95470	19.8
71.04978	6.8
71.08630	7.6
79.05498	44.1
81.07065	92.6
82.07399	5.5
83.04984	8.4
83.08615	18.4
85.10200	5.5
89.06036	10.7
91.05485	50.5
93.07053	91.9
95.04999	14.9
95.08616	99.5
97.06549	9.6
97.10155	10.8
98.20847	5.5
105.06397	7.1
105.07043	100.0
105.68629	4.4
106.07301	6.8
107.08611	69.1
108.08946	5.7
109.06521	9.3
109.10171	53.0
111.04441	6.4
111.11715	9.8
117.06998	20.3
118.42532	6.4
119.08591	86.9
120.08901	9.8
121.06513	5.4
121.10142	76.8
123.08067	14.2
123.11723	16.9
128.06183	10.5
129.05505	10.1
129.06987	15.0
130.07797	11.0
131.08603	37.0
133.08603	7.1
133.10144	61.8
134.10530	4.7
135.08031	6.2
135.11722	37.8
137.09605	10.0
137.13295	8.3
139.11076	5.6
141.06987	9.1
142.07814	18.6
143.08588	35.1
144.09232	7.5
145.10143	87.3
146.10501	10.2
146.93045	5.6
147.11700	35.9
149.09593	5.8
149.13261	9.1
151.11157	5.0
155.08533	8.6
156.09296	15.5
156.35933	5.1
157.10156	42.0
158.10837	9.1
159.11717	41.1
160.12115	5.7
161.09500	6.6
161.13255	13.1
163.11160	6.6
167.08510	10.2
167.10666	25.7
169.10153	22.5
170.10876	5.1
171.11681	30.8
173.13191	24.2
175.14853	16.2
179.08588	7.6
180.09380	5.7
181.10146	7.8
181.69263	4.7
182.10902	6.8
183.11624	21.6
184.12482	5.0
185.13193	10.2
187.14738	11.4
189.12680	5.8
191.17934	5.6
193.10117	8.5
194.10867	6.4
195.11650	13.5
197.13240	14.3
199.14734	7.9
201.16335	6.5
207.11752	7.7
209.13281	17.0
209.19077	8.0
211.14856	11.5
211.20551	26.4
213.16429	8.1
219.17531	5.9
219.21104	19.5
221.13226	10.4
221.15303	8.6
223.14857	12.9
237.22124	15.3
239.23671	20.0
265.19376	6.7
269.21109	19.7
279.23087	8.4
281.81308	4.7
283.20621	7.0
297.24573	10.8
364.28104	5.9
391.73380	4.6
446.46820	6.1
543.31482	5.1
567.41345	6.6
585.42859	13.8
585.56335	18.5
594.86414	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.8
55.01872	10.7
55.05264	2.9
55.05515	39.6
57.03431	5.6
67.05510	37.8
69.03436	10.2
69.07082	11.6
69.58285	7.4
69.58704	5.4
71.04984	3.5
79.05499	41.7
80.41135	1.9
80.41598	2.3
81.03426	39.6
81.07068	37.5
83.04983	9.4
83.08625	18.6
85.02913	16.2
85.06522	2.3
91.05489	31.0
93.07050	26.6
95.01358	2.0
95.04973	30.6
95.08621	14.7
97.02894	4.8
97.06551	2.8
97.10183	25.1
98.97542	3.0
103.05466	3.5
105.04497	2.6
105.07047	21.3
107.04958	13.3
107.08613	20.5
109.02888	62.2
109.06540	6.1
109.10175	9.2
111.04419	3.0
111.08079	4.0
112.83922	1.9
115.05483	7.8
115.06194	2.0
117.07043	11.5
117.62958	2.0
119.04977	4.9
119.08606	15.1
121.02885	6.8
121.06524	7.0
121.10174	7.5
123.04447	5.9
123.08074	3.9
125.06004	3.1
125.09622	18.5
128.06242	5.5
129.07001	17.6
131.04936	12.9
131.08586	11.3
133.06502	10.9
133.10158	6.6
135.04449	4.1
135.08072	6.1
135.11708	3.5
137.02367	7.8
137.09639	3.4
141.07021	9.0
142.07787	2.6
143.08603	5.3
144.05771	3.0
145.06473	14.5
145.10170	7.7
147.04411	10.9
147.08075	6.2
147.11703	6.3
149.06007	4.1
149.09642	3.4
151.07584	3.5
153.05463	2.2
153.07045	4.1
153.12766	2.3
155.08565	7.7
157.06493	9.8
157.10164	6.1
158.07198	2.0
158.38184	1.9
159.04460	3.8
159.08058	7.3
161.06009	19.6
161.09673	4.7
163.03923	3.7
163.07622	2.1
163.11232	8.2
166.07799	2.4
167.07231	2.0
167.08600	7.1
169.06537	6.3
169.10216	3.7
171.04524	2.2
171.08095	6.6
171.11678	3.5
173.06050	12.7
173.09637	4.5
174.06670	2.1
175.07547	3.2
175.11226	5.6
177.05496	2.7
179.08571	3.3
181.06503	2.9
181.10051	2.5
183.08098	6.5
183.11769	3.4
185.06116	3.0
185.09616	3.4
187.07611	9.2
189.05461	18.5
189.09496	2.5
189.11279	11.7
191.10681	2.2
193.12292	14.2
195.08115	6.0
197.06140	5.3
197.09647	2.5
197.13239	2.3
199.07564	5.0
200.08334	2.5
201.05515	2.8
207.11853	2.4
209.09647	3.1
211.07596	14.3
211.11594	2.1
211.13289	11.1
213.09186	2.9
215.07059	6.6
221.09760	2.8
225.09140	2.8
227.06975	2.8
227.12840	7.3
237.12869	2.6
239.07257	2.5
255.13872	8.0
257.15610	3.5
267.09143	5.1
267.15952	3.8
269.08054	3.4
273.14853	19.1
283.13110	10.0
285.10071	5.6
285.14868	5.1
289.55179	2.5
295.16919	6.3
297.14999	3.1
299.05490	2.6
301.14368	72.5
303.16141	2.2
311.16571	4.0
313.17865	2.8
319.15482	7.0
323.16510	15.6
339.16031	5.0
341.17618	19.7
343.15631	8.4
353.17352	2.7
357.16928	4.1
375.18195	6.6
379.19257	2.5
397.20493	2.6
447.25385	5.5
457.24203	4.9
465.26559	5.7
475.25040	11.4
493.25925	27.9
511.26950	12.5
529.28241	3.2
539.30139	3.3
549.12518	2.2
549.28424	9.2
555.29883	4.9
567.12939	4.6
567.29541	53.6
585.14600	5.2
585.30841	100.0
599.44159	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1033
Annotation	Philonotisflavone-4'''-methyl ether
Peak:m/z	Relative Intensity
50.25445	1.0
52.20361	1.1
53.03952	1.6
55.01859	1.4
55.05503	3.2
56.96552	1.1
65.03960	1.8
67.01881	1.1
67.05511	4.7
68.99790	2.8
69.03420	2.2
69.07078	1.9
71.55942	1.9
79.05498	4.4
81.03425	4.5
81.07052	4.5
83.04976	1.6
83.08612	1.9
84.08144	2.0
85.02915	1.6
91.05480	5.7
93.07045	3.4
95.04970	3.5
95.08607	3.3
102.91194	0.9
105.07057	3.1
107.04957	1.9
107.08617	3.6
109.02901	6.1
109.10164	2.3
110.03688	1.8
111.08027	1.1
117.07032	1.0
119.05006	1.4
119.08622	3.3
121.10107	1.2
126.02420	0.9
126.39216	1.0
126.80944	1.1
127.03962	2.3
129.06975	1.4
131.05019	1.2
131.08551	1.2
133.06499	1.1
133.10158	1.4
135.11664	1.7
137.02353	12.1
137.03325	1.7
145.10181	1.4
147.04420	3.1
148.26163	1.0
149.05994	1.3
151.03929	13.4
151.05032	1.6
153.01834	18.4
159.08089	1.2
161.05959	2.4
163.03923	1.3
165.60718	1.1
175.04004	1.0
189.05460	1.5
193.12170	1.2
213.05591	1.3
239.03461	2.5
245.15529	1.1
255.02873	1.1
257.04462	2.1
267.02921	3.9
273.14804	2.0
279.03076	1.4
282.05109	1.5
284.03000	5.3
285.03992	2.7
286.04773	2.5
300.06390	2.2
301.07147	1.6
301.14206	5.6
311.01941	2.3
323.05563	2.0
335.01959	2.1
343.15533	1.1
351.04922	1.3
377.02856	1.4
379.06250	1.4
392.05353	2.1
393.06219	2.8
395.03894	1.5
418.06848	4.6
419.04071	11.5
433.09448	7.2
434.06351	1.4
437.04636	1.6
454.91132	1.1
459.07495	2.2
501.07986	1.3
553.07654	3.7
567.29370	4.0
584.40430	2.4
585.10339	100.0
585.29535	12.2
585.38971	1.9
586.10895	1.1
596.37421	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
55.05511	9.2
57.07071	12.6
57.86259	3.1
64.43446	2.9
65.03933	3.2
67.05507	19.2
69.03423	6.8
69.07079	13.8
70.06571	3.4
70.72985	7.3
70.73321	4.2
71.08662	4.0
79.05510	21.7
80.40659	2.8
81.07061	28.2
83.05008	3.9
83.08611	5.2
85.06564	5.5
85.10207	3.2
87.04449	3.7
89.06048	25.2
91.05491	35.2
93.07049	41.6
95.04990	8.6
95.08613	32.0
97.06557	5.6
105.07037	61.0
105.07708	2.4
107.08600	36.4
109.06540	8.6
109.10186	14.2
115.05524	3.6
117.07021	16.0
119.07800	5.6
119.08597	74.6
120.09416	6.4
121.06569	6.5
121.10168	34.1
123.08076	17.2
125.05990	3.9
128.06271	8.6
129.07005	15.1
130.07790	6.8
131.08597	41.5
132.09332	5.5
133.06508	5.4
133.08607	11.4
133.10139	35.7
135.08057	12.9
135.11736	14.6
137.09630	8.4
141.06987	9.1
142.07774	15.4
143.08546	33.8
144.09334	12.3
145.10146	60.3
147.08025	15.3
147.11673	13.0
149.09599	7.1
149.13177	3.8
151.07596	4.1
155.08548	14.9
156.09383	11.0
157.10155	49.5
158.10938	10.4
159.08080	8.6
159.11697	34.3
160.08879	4.8
161.09616	12.4
161.13280	6.9
163.11160	15.5
165.09152	29.1
167.08556	5.4
168.09381	6.6
169.10127	16.3
170.10948	8.2
171.11700	24.9
172.12457	9.7
173.09700	5.7
173.13266	18.6
175.11209	11.0
175.14853	7.6
177.11201	5.0
179.08583	5.2
180.09363	5.6
180.11426	4.8
181.10141	13.0
181.12286	9.4
182.10947	6.2
183.11711	18.9
184.12537	5.5
185.09641	3.3
185.13290	15.2
187.11250	4.2
187.14903	5.1
189.12744	6.6
190.13600	4.9
191.10703	4.7
193.10239	7.3
193.12244	4.7
195.11621	18.5
197.13281	13.7
199.11168	6.0
199.14864	4.4
201.12753	4.5
201.16350	5.1
203.14349	19.2
207.11697	8.5
207.13774	5.3
208.12517	6.3
208.14491	4.1
209.13200	13.9
211.11206	4.3
211.14818	9.9
213.12697	6.4
213.16478	4.5
219.11732	4.5
219.13828	3.4
221.13264	7.1
221.15347	66.5
222.14186	4.0
223.14839	10.2
225.12604	4.8
225.16365	6.9
227.14447	5.0
233.15314	4.8
234.14046	4.3
234.16179	7.9
235.14940	6.0
237.12927	5.4
237.16383	5.5
239.14294	4.2
247.14742	4.4
247.17038	10.9
251.18196	4.6
253.15903	4.8
255.17343	4.4
259.17114	6.1
274.19339	6.2
281.19006	6.6
283.20959	3.2
286.19202	4.7
287.20053	8.3
295.25482	3.3
298.19342	4.4
299.20041	12.7
300.21039	4.9
311.29425	8.8
319.20468	3.6
325.21548	9.6
337.21573	10.7
352.23969	81.5
365.24841	20.8
371.22769	5.5
404.31107	6.3
411.29395	4.1
412.29654	12.0
438.31277	8.5
489.33557	6.7
491.35242	13.3
504.36032	100.0
584.42175	21.4
584.56335	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	584.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
54.32243	2.3
55.05503	7.7
57.07076	12.3
67.05508	13.9
69.03432	7.5
69.07069	10.8
69.87543	12.3
73.79753	2.3
79.05504	16.6
81.07063	25.2
83.05017	2.2
83.08617	4.2
85.06548	5.2
89.06027	5.4
91.05486	32.3
93.07053	32.3
95.04966	7.0
95.08617	22.4
95.93121	2.2
97.06528	4.6
105.07039	52.7
106.07806	2.6
107.08591	26.5
109.06522	9.1
109.10182	11.7
115.05465	4.4
117.07036	13.4
119.08593	65.9
120.09370	3.1
121.06474	3.6
121.10159	20.5
123.08070	11.3
125.06001	3.5
128.06258	7.9
129.07039	15.7
130.07759	4.9
131.08586	36.0
132.09383	3.5
133.06596	2.1
133.10129	30.0
135.08067	10.9
135.11682	15.2
137.09644	8.1
141.06998	5.9
142.07796	14.8
143.08575	24.5
144.09369	11.7
145.10126	46.1
146.10828	2.6
147.08043	17.5
147.11734	12.8
149.09613	9.6
151.07533	6.4
155.08504	11.7
156.09319	14.1
157.10138	42.0
158.10925	7.9
159.08075	4.3
159.11699	24.9
160.12497	3.2
161.09618	7.2
161.13280	4.7
163.11220	10.1
165.07021	3.2
165.09116	26.0
167.08496	4.9
168.09334	4.7
169.10161	13.4
170.10869	10.5
171.11687	27.4
172.12410	6.6
173.09712	2.6
173.13281	18.1
174.10382	2.2
175.11192	11.6
175.14841	6.8
177.12779	3.0
179.08556	4.3
180.09335	4.2
181.10155	10.4
181.12241	8.0
182.10925	5.9
183.11678	16.1
184.12436	4.1
185.13315	16.0
187.11200	3.1
187.14810	6.5
189.12733	6.0
190.13559	6.9
191.14374	2.6
193.10165	7.2
193.12260	5.3
194.10938	5.2
195.11687	11.4
195.13379	2.6
196.12508	3.3
197.13269	16.1
198.13989	3.3
199.11186	4.8
199.14824	6.6
201.12729	4.5
201.16402	4.0
203.14264	13.0
206.10785	2.3
207.11655	7.3
207.13837	6.1
208.12566	5.1
208.14500	4.8
209.09679	2.8
209.13217	11.6
210.14066	2.8
211.11153	3.4
211.14816	12.7
213.12695	2.8
213.16325	3.7
217.15849	2.3
219.11742	3.4
219.13780	4.3
221.13295	7.2
221.15340	50.5
223.14789	10.4
224.15044	2.6
225.12881	3.1
225.16344	5.3
227.14240	2.7
229.15810	3.4
232.12466	2.7
233.13167	3.1
234.16106	9.0
235.14822	6.9
237.12695	5.1
237.16422	5.0
239.14435	2.6
239.17825	3.4
247.16971	12.4
249.16400	4.8
251.14580	2.7
257.15353	2.9
257.18823	2.6
259.17102	2.6
263.17966	2.9
265.19452	2.6
267.17548	2.4
279.17352	2.9
281.18811	3.5
285.18475	2.7
296.21542	2.7
299.20029	8.0
300.21024	2.4
309.22064	2.2
325.21671	10.7
337.21738	10.5
352.23990	65.6
352.28403	3.1
365.24783	14.3
391.26270	3.7
397.27399	3.8
398.28159	6.4
404.30658	7.2
409.27393	2.8
412.29825	18.7
425.30655	2.4
438.31424	13.0
489.33453	5.8
491.35202	13.8
492.35718	2.7
504.36047	100.0
534.49036	2.2
566.41748	2.9
569.39087	2.5
584.42151	21.7
584.56256	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	584.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.1
55.05503	7.0
57.07076	9.6
64.71236	2.1
65.03961	2.2
67.05516	14.1
69.03421	8.0
69.07059	9.8
70.66174	4.7
70.66515	2.4
74.17918	2.2
79.05498	20.2
80.06287	6.3
81.07056	32.0
83.04981	7.3
83.08652	2.9
89.06052	6.3
91.05492	35.2
93.07059	38.9
95.04972	19.3
95.08615	19.2
96.50913	2.0
97.06523	2.7
103.05484	2.9
105.07041	62.4
106.07863	5.0
107.08608	25.2
109.06561	11.0
109.10135	12.4
111.08060	4.0
115.05467	5.0
117.07013	19.8
118.10678	2.2
119.08597	58.2
119.76714	2.4
120.09390	3.9
121.06507	5.5
121.10175	22.5
122.07308	2.5
123.08075	27.7
125.06005	4.9
128.06232	8.5
129.07042	17.1
130.07819	9.3
131.08585	35.9
132.09315	7.8
133.06497	3.8
133.08597	3.6
133.10132	31.0
135.08043	16.9
135.11711	9.7
137.09631	9.4
138.10439	4.4
141.07013	5.1
142.07822	16.7
143.08562	37.0
144.09422	12.4
145.10132	75.3
147.08063	20.9
147.11723	10.2
149.09642	8.9
151.07608	6.9
151.11287	2.5
155.08553	10.9
156.09372	13.2
157.10150	48.0
158.10945	15.2
159.08061	7.6
159.11696	38.7
161.09605	13.7
161.13245	5.1
163.11227	8.7
165.06972	3.9
165.09119	40.5
165.15202	2.2
167.08597	5.3
168.09358	3.5
169.10136	15.5
170.10921	7.9
171.08035	2.5
171.11702	22.5
172.12422	7.0
173.09688	6.2
173.13242	10.9
175.11208	15.3
179.08525	4.3
179.10657	2.3
180.09364	3.6
180.11441	4.3
181.10152	10.1
181.12256	9.6
182.10863	8.1
183.11734	12.5
184.12543	3.9
185.09761	2.9
185.13359	10.6
187.14806	5.7
189.12796	9.4
190.13522	9.5
191.14291	4.1
193.10231	5.0
193.12289	6.5
194.10974	4.8
195.11745	14.5
196.12440	5.2
197.13278	10.8
198.14165	2.2
199.11211	5.5
199.14882	4.4
201.12805	3.9
203.14362	15.5
206.10893	2.9
207.11653	7.0
207.13829	8.6
208.12573	4.1
208.14577	8.2
209.13266	9.7
211.11211	4.1
211.14813	6.7
213.12897	4.0
213.16377	2.7
219.13785	5.0
221.13394	5.3
221.15378	59.1
223.14825	8.2
225.12675	4.3
225.16391	3.8
227.14392	2.9
234.16187	6.6
235.14786	4.0
237.12787	6.4
237.16403	5.6
238.17320	2.8
240.70396	2.6
245.15343	2.9
247.17001	8.3
253.15796	4.0
259.17007	12.3
260.17673	4.0
266.20261	5.9
271.17010	4.8
273.18558	3.9
274.19159	14.8
286.19446	3.3
287.20209	14.5
299.19980	6.6
300.20862	12.1
311.29437	2.5
325.21698	9.9
337.21616	9.8
351.23264	4.0
352.24017	73.6
353.24942	3.1
365.24832	18.9
366.25510	12.3
371.22839	3.5
404.30688	6.0
412.29724	5.3
438.31174	6.1
446.31812	6.2
491.35519	10.9
492.35553	7.7
504.36008	100.0
505.36108	2.9
584.42102	18.5
584.55969	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	584.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.6
54.07355	3.0
55.01865	3.5
55.05522	17.5
57.07085	15.6
65.03931	3.7
67.05512	32.8
69.03439	6.6
69.07072	20.1
71.04962	3.9
71.08656	3.7
74.93528	3.7
78.58271	3.6
79.05499	33.7
81.07065	46.8
83.04967	9.9
83.08616	11.0
85.06521	4.8
87.04463	3.4
89.06045	26.0
91.05488	47.7
93.07050	57.3
94.07382	3.4
95.04971	16.6
95.08613	45.8
97.06544	5.8
98.21515	9.3
103.05452	3.4
105.07040	83.2
107.04973	5.1
107.08601	60.1
109.06493	5.2
109.10157	33.1
115.05460	7.8
116.06271	3.8
117.07034	18.3
119.08595	100.0
121.06543	6.8
121.10143	47.7
123.08060	8.3
123.11708	11.4
125.09613	8.5
128.06218	12.8
129.07007	20.3
130.07759	8.0
131.08574	58.9
132.09154	3.2
133.08598	13.8
133.10141	57.6
135.03499	3.0
135.08044	12.7
135.11670	17.7
137.09625	7.4
141.07014	11.0
142.07761	13.6
143.08562	51.8
144.09294	10.2
145.10135	70.2
147.08051	15.2
147.11722	25.6
149.09616	11.6
149.13231	7.6
153.07045	4.2
155.08563	20.1
156.09308	9.6
157.10133	56.4
158.10832	9.4
159.08113	27.1
159.11710	37.3
161.09612	11.7
161.13245	6.2
163.11139	7.2
165.07001	6.2
165.09151	3.2
167.08556	9.1
167.10677	8.1
168.09294	8.7
169.10121	26.6
170.10860	8.7
171.11702	35.0
172.12312	4.6
173.09627	4.9
173.13263	24.1
175.11232	7.2
175.13481	3.6
175.14757	18.8
177.11287	5.6
177.12811	4.8
179.08569	9.7
180.09247	4.9
181.10155	17.0
182.10974	7.7
183.11728	29.3
184.12425	3.6
185.09653	3.2
185.13254	17.8
187.14841	16.0
189.12816	5.4
191.14279	7.2
192.09325	5.3
193.10081	15.1
194.10925	13.4
195.11670	20.9
196.12462	12.5
197.13263	26.3
198.13901	4.2
199.14871	15.8
201.12747	4.4
201.16313	4.6
203.14323	10.0
205.10010	5.4
206.10980	5.5
207.11761	17.6
208.12485	10.8
209.13283	25.0
211.14754	15.6
212.15491	4.1
213.12698	5.8
213.16290	5.3
215.14359	3.9
217.10136	3.5
217.15776	5.6
218.16702	3.9
219.11720	6.9
220.12398	4.8
221.13275	15.0
221.15370	13.0
222.13818	5.3
222.15715	8.5
223.14841	21.9
225.12790	8.1
225.16389	10.6
227.14375	5.0
233.13232	8.2
233.15393	15.3
234.13803	3.9
235.14783	13.2
237.16373	16.1
238.17035	3.7
239.17839	10.7
241.19659	4.0
245.13261	7.0
247.14720	7.4
248.15620	4.0
249.16309	6.2
251.17992	5.5
253.15846	7.2
255.17438	30.1
257.13525	4.0
257.18979	7.9
259.14844	4.0
263.17963	6.8
265.19281	3.5
268.18262	4.3
269.18927	4.8
270.19775	7.3
271.20682	4.9
281.19077	6.0
283.20474	5.2
294.40607	3.7
297.22086	5.6
298.19659	3.4
300.28961	8.0
311.29312	8.6
319.20456	4.1
360.24619	5.1
367.26422	6.7
371.22687	7.1
491.35971	4.1
492.35516	9.1
566.40985	5.3
584.41870	23.1
584.55951	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	584.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.2
53.67087	2.1
55.05514	10.8
57.07076	8.7
58.00965	2.2
59.01384	1.6
59.04996	2.8
65.03944	5.2
67.05507	25.8
68.05836	1.8
69.03416	4.6
69.07070	17.2
70.06583	2.3
71.05022	2.2
71.32275	5.0
73.63774	1.8
79.05499	28.1
81.03424	2.6
81.07066	33.2
81.95334	1.9
83.04977	5.7
83.08643	6.6
85.06556	5.8
89.06041	3.3
91.05489	52.4
93.07055	58.9
95.05016	13.9
95.08616	33.7
97.06554	5.4
97.10227	2.5
103.05449	5.5
105.07043	81.3
107.04974	4.6
107.08608	48.6
109.06516	5.3
109.10152	24.6
111.08038	4.3
115.05478	4.7
116.06210	2.5
117.07050	22.1
119.04958	2.5
119.06020	2.8
119.08595	100.0
120.09440	3.4
121.06530	8.6
121.10165	40.5
123.08087	10.6
123.11739	8.9
128.06197	12.7
129.07031	19.7
130.07829	9.3
131.08588	47.1
132.09375	4.2
133.06508	3.7
133.08621	3.5
133.10150	49.9
134.84691	2.2
135.08078	12.4
135.11691	17.9
137.09668	7.4
139.11232	3.1
141.07008	8.0
142.07811	18.2
143.08583	43.2
144.09378	10.5
145.06496	2.9
145.10155	65.6
147.08113	8.0
147.11699	21.5
149.09639	11.6
149.13223	3.6
151.07613	2.7
151.11095	3.3
152.29286	2.1
153.07007	4.8
154.07767	4.4
155.08580	20.5
156.09361	17.8
157.10155	55.4
158.10881	8.3
159.08060	19.9
159.11720	38.7
160.08847	2.6
161.09634	13.1
161.13306	7.2
163.11205	5.8
165.07022	5.8
165.09132	6.1
166.07797	5.5
166.09340	3.1
167.08627	10.7
167.10663	6.1
168.09329	6.4
169.10170	27.3
170.10930	11.9
171.11711	29.6
172.12439	4.6
173.09689	5.6
173.13277	28.5
175.11235	7.3
175.14815	18.0
177.12805	3.6
179.08588	16.8
180.09341	6.4
181.10117	16.9
182.10986	9.4
183.11734	32.0
184.12480	5.3
185.09656	4.9
185.13284	19.7
186.13913	3.6
187.11195	5.5
187.14906	15.1
189.12773	7.2
189.16414	2.7
191.08824	2.6
191.14330	4.9
192.09354	6.2
193.10153	14.1
194.10971	9.4
195.11711	24.4
196.12415	9.3
197.09650	2.5
197.13289	30.6
199.11198	6.2
199.14838	15.8
201.12709	5.5
201.16434	7.3
203.14352	8.2
205.10205	2.9
206.10979	6.4
207.11780	16.3
207.13655	3.2
208.12471	8.1
209.13306	25.5
210.13971	3.6
211.11224	3.0
211.14853	18.0
213.12775	8.5
213.16440	5.5
214.13507	2.2
215.14409	5.4
217.10155	2.5
217.15915	4.1
218.11021	2.5
218.16730	3.4
219.11697	6.6
220.12521	3.9
221.13315	12.8
221.15446	7.7
222.13934	4.7
223.14830	14.9
224.15546	3.2
225.12791	6.2
225.16484	6.8
227.14383	6.8
229.15860	3.7
232.12552	4.2
233.13269	7.3
233.15442	15.5
235.15005	10.9
236.15547	2.5
237.12862	2.6
237.16306	10.7
239.14325	2.6
239.17990	8.7
241.15974	3.1
241.19635	3.2
245.13371	4.7
246.14005	4.6
247.14891	5.9
248.15607	4.1
249.16473	8.2
251.14368	3.1
251.17978	6.6
253.16006	4.4
255.17468	28.9
257.13168	2.2
257.19083	4.9
259.14954	4.0
261.16461	6.8
263.17874	4.6
265.16064	1.9
265.19528	4.2
268.18341	2.7
269.18954	7.5
270.19766	4.2
271.20651	4.2
273.16193	3.9
273.18848	2.8
275.17908	4.8
277.19452	2.4
279.17416	4.7
281.19125	5.1
283.20493	4.5
285.22122	4.2
286.16852	3.3
289.19626	2.7
294.19675	2.6
295.20682	5.4
297.22235	5.9
300.29260	2.4
311.29440	3.5
334.22723	2.4
336.24207	3.1
337.25433	4.0
345.22351	3.4
347.23737	2.2
349.25345	4.2
360.24484	4.4
367.26340	4.3
427.55948	2.2
492.36108	5.1
551.38745	2.6
566.40784	6.0
584.42145	34.4
584.56274	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	583.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
54.00344	2.4
55.01876	4.8
55.05519	17.6
57.07074	12.0
59.05011	3.2
62.87836	2.6
65.03968	3.7
67.05510	30.3
69.03445	10.0
69.07076	20.7
69.17774	25.9
71.04988	3.1
79.05505	33.1
81.03440	3.1
81.07063	36.4
83.04993	13.0
83.08628	16.2
84.59618	2.6
85.02921	4.6
85.06588	6.4
91.05488	45.1
91.06004	3.0
93.07059	51.6
93.07630	4.3
95.04990	13.5
95.08621	29.9
96.49043	2.9
97.06551	12.4
97.10209	3.3
105.07037	59.7
105.07682	4.0
107.05005	3.8
107.08602	56.5
107.09279	3.9
109.06558	10.7
109.10175	24.4
111.08152	4.9
113.09707	4.5
115.05522	5.1
117.07032	19.9
119.08588	77.3
121.06550	6.4
121.10157	56.8
123.08079	15.9
123.11758	10.5
125.09673	6.6
128.06281	12.1
129.07002	13.8
130.07835	6.9
131.08580	30.8
133.06538	3.4
133.10144	44.4
135.08099	6.3
135.11700	17.9
137.09673	8.8
139.11247	8.2
141.07014	7.3
142.07806	23.8
143.08589	31.3
144.09358	3.3
145.06491	3.5
145.10143	55.2
147.08119	10.6
147.11652	17.2
149.09705	8.8
151.07652	8.2
154.07918	4.2
155.08569	17.1
155.10757	6.0
156.09372	15.8
157.10152	45.1
158.10938	8.3
159.11693	31.1
161.09691	5.9
161.13326	7.5
163.11259	11.1
165.07022	5.4
165.09158	15.3
167.08665	7.7
167.10799	8.2
168.09398	6.8
169.10150	27.2
170.10939	6.3
171.11693	29.7
171.12946	2.9
173.09758	3.2
173.13290	22.4
175.14932	10.1
179.08650	11.6
179.14381	3.7
180.09412	4.4
181.10196	16.2
181.12225	12.8
182.10985	7.7
183.11734	25.0
184.12520	4.5
185.13335	17.9
187.14888	9.7
191.14398	9.6
193.10187	13.0
194.11020	11.5
195.11685	20.4
196.12619	7.7
197.13293	26.5
199.14944	10.5
201.16559	4.7
203.14430	8.1
205.10275	3.4
205.15849	3.4
206.10992	8.0
207.11838	13.7
207.13913	9.6
208.12502	6.2
209.13287	27.7
209.15184	3.5
211.14815	12.9
212.47379	3.1
213.12877	6.0
213.16478	4.3
215.14374	3.8
217.16035	6.0
219.11777	10.4
220.12679	3.2
221.13338	13.2
221.15511	31.0
223.14804	15.7
224.15601	3.4
225.14661	3.5
225.16580	6.6
227.17975	2.9
231.11812	6.6
232.12509	4.2
233.13382	8.0
233.15518	15.5
234.14049	4.7
235.14952	9.4
237.16376	5.9
239.18181	2.7
245.13321	4.9
247.14970	8.9
248.15561	3.9
249.16704	5.0
251.18144	4.8
257.13138	3.3
257.19135	3.6
258.14117	3.0
259.14905	5.1
260.15775	5.9
261.16580	7.2
263.18106	4.5
265.19644	4.1
267.12021	3.2
271.20782	3.1
273.16129	3.2
275.18024	7.8
277.19800	3.9
283.20755	8.5
285.18585	3.6
287.20282	5.9
289.19598	4.4
295.20544	3.5
297.22220	4.4
317.17917	3.3
323.63168	3.2
329.22940	3.4
330.36029	2.9
331.24341	3.6
335.23972	3.2
337.25500	3.3
345.25925	5.5
349.25375	6.1
363.26965	6.7
375.27249	5.5
397.29050	4.2
403.30185	4.2
415.30258	8.2
473.34875	2.9
491.35263	38.2
502.41644	3.0
545.14679	3.3
565.40375	23.9
583.41626	100.0
590.46655	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.6
55.05519	7.9
57.07084	11.0
59.05008	1.9
65.03941	1.9
65.04288	1.2
65.59502	1.3
67.05510	19.3
67.67721	1.5
69.03433	5.7
69.07066	11.1
69.24599	3.1
69.25002	11.2
71.05001	2.6
71.08633	3.0
79.05499	18.4
79.05910	1.9
81.07063	23.6
83.04983	5.7
83.08628	5.8
85.06551	1.8
85.10186	2.7
91.05485	21.4
93.07050	36.0
95.04985	6.7
95.08610	34.3
97.06552	3.8
97.10188	2.1
98.20784	3.3
103.05485	2.3
105.07037	36.6
107.08587	22.7
109.06551	4.7
109.10167	14.4
111.04427	2.9
111.08147	2.1
115.05523	1.8
117.07051	7.4
118.12354	1.6
119.08587	36.4
121.06528	2.3
121.10151	24.4
123.08089	16.6
123.11810	3.3
125.06033	2.1
125.09695	1.5
128.06261	5.3
129.05534	2.8
129.07016	5.4
130.07806	3.2
131.08586	14.1
133.10139	16.4
135.08099	10.4
135.11722	8.1
137.09570	7.6
139.07454	1.5
139.11272	1.8
141.06990	3.8
142.07814	9.4
143.08577	14.6
144.09357	3.2
145.10139	20.7
147.08037	16.1
147.11682	7.1
149.09657	3.6
149.13261	3.9
151.07549	19.4
151.11133	1.5
153.07024	1.7
155.08588	6.3
156.09344	6.9
157.10158	26.2
157.11353	1.1
158.10913	2.4
159.08138	2.4
159.11717	13.6
161.09673	4.0
161.13290	5.5
163.11226	4.4
165.06984	3.0
165.09120	30.9
166.07816	2.1
167.08582	5.3
167.10683	3.4
168.09344	3.4
169.10138	10.6
170.10901	4.9
171.11710	16.8
173.09645	3.0
173.13312	10.7
173.29579	1.6
175.11267	2.8
175.14880	4.7
179.08615	5.3
180.09396	2.9
181.10106	7.5
181.12311	2.5
182.10991	3.5
183.11702	11.3
184.12489	2.4
185.09633	1.9
185.13326	10.2
187.14905	4.6
189.12814	5.1
191.14311	3.5
193.10204	6.7
194.10909	6.9
195.11720	10.0
196.12531	3.2
197.13287	13.6
199.14856	5.3
201.12743	2.6
201.16415	1.5
203.14346	12.9
205.10167	2.7
206.10983	2.5
207.11760	7.8
207.13881	7.3
208.12567	3.9
209.13249	12.7
209.19006	4.6
210.14095	2.6
211.14790	7.1
213.12753	1.8
213.16481	2.3
215.14258	2.2
217.10191	1.6
217.16092	2.0
219.11772	3.0
219.21201	3.3
220.12543	1.9
221.13284	9.0
221.15343	49.3
222.14130	2.7
223.14857	6.1
225.16461	4.0
231.11714	2.3
231.17403	2.9
232.12517	2.4
233.13249	4.6
233.15373	2.1
234.14061	2.9
235.14929	6.5
237.16428	3.9
237.22147	2.2
239.14334	1.6
241.15942	2.2
245.13324	3.8
246.14093	3.3
247.14838	4.4
247.17087	1.8
248.15543	2.0
249.16412	4.9
251.17915	2.6
253.19531	1.7
257.19000	1.7
260.15387	1.7
261.16510	3.9
263.17990	3.5
265.19617	3.9
269.21259	13.9
271.20761	2.9
273.16397	2.5
275.17914	2.5
277.19461	3.1
281.19330	1.9
283.20648	4.0
293.18936	1.8
295.20593	2.5
297.21829	2.5
297.24661	4.2
347.23730	1.5
349.25348	2.9
357.25723	2.6
365.24728	2.3
375.27023	6.4
385.28918	2.4
403.29950	9.4
491.34818	1.7
495.18753	1.7
503.35367	6.7
509.34225	3.1
547.39240	4.3
565.40503	31.4
583.41534	100.0
584.42328	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02341	2.8
53.03937	6.4
55.01867	2.9
55.05519	19.0
57.01844	2.9
57.07090	15.4
61.04360	2.7
65.03944	4.6
67.05232	2.6
67.05510	30.7
69.03407	9.4
69.07074	18.2
69.25389	25.6
79.05489	31.4
81.07058	51.4
83.04987	6.9
83.08604	13.4
85.06535	7.7
91.05483	60.4
93.07046	51.4
95.04980	13.6
95.08611	43.4
97.06518	7.3
97.10175	2.9
103.05490	4.0
105.04528	3.8
105.07030	80.4
107.04897	2.8
107.08602	50.3
109.06511	9.6
109.10151	26.8
111.04425	3.2
111.08098	3.9
113.09662	3.1
115.05436	6.5
117.07027	19.2
119.08588	100.0
121.06487	6.7
121.10134	50.2
123.08071	15.5
123.11690	10.4
125.05997	4.0
125.09594	3.6
128.06284	14.3
129.05502	4.5
129.07033	16.5
130.07756	9.4
131.08565	37.7
133.10152	45.2
135.08057	7.3
135.11711	17.9
137.06001	2.7
137.09631	9.2
141.06984	8.0
142.07787	27.2
143.08546	40.2
144.09372	8.3
145.10132	56.5
147.08043	18.2
147.11725	18.2
149.09605	12.2
149.13252	4.0
151.07547	11.8
151.11290	3.3
153.07002	3.9
153.09042	4.1
154.07796	4.7
155.08542	16.4
156.09378	20.1
157.10136	56.6
158.10944	10.5
159.08075	3.6
159.11693	26.2
161.09673	6.0
161.13257	8.9
163.11154	7.0
165.06996	9.3
165.09132	21.6
166.07838	3.7
167.08580	12.4
167.10681	11.0
168.09329	11.1
169.10132	35.4
170.10909	8.7
171.08110	2.6
171.11674	32.1
173.09590	3.2
173.13277	24.8
175.11150	3.4
175.14853	8.7
179.08539	17.6
180.09308	9.6
181.10129	20.1
181.12320	6.3
182.10898	7.8
183.11690	31.4
185.09715	3.6
185.13243	18.1
187.11218	5.0
187.14824	11.5
189.12723	5.1
190.22713	2.6
191.08522	3.6
191.14265	8.5
191.17873	3.5
192.09337	7.3
193.10123	15.3
194.10950	12.9
195.11725	26.7
196.12514	8.5
197.13248	23.7
199.11232	4.1
199.13126	2.7
199.14746	14.8
201.12776	3.5
203.14320	11.5
204.09409	3.0
205.10226	6.3
206.10896	7.9
207.11731	21.0
207.13576	4.2
208.12405	6.7
209.13257	24.7
211.14856	10.8
211.20502	3.9
213.12872	3.3
213.16338	3.1
217.16077	5.3
217.19565	3.9
219.11700	14.8
220.12483	6.9
221.13234	20.5
221.15398	51.2
223.14807	17.9
225.12779	3.5
225.16348	6.8
229.10194	4.1
231.11716	6.5
232.12422	4.6
233.13226	8.3
233.15440	6.3
234.14067	4.1
235.14836	10.5
236.15450	3.2
237.16394	8.4
243.11688	3.5
245.13129	7.8
246.13998	4.8
247.14784	9.6
247.17119	5.1
248.15501	4.1
249.16417	11.2
251.14478	2.8
251.17891	6.8
253.19218	3.0
257.13373	3.0
257.19049	11.3
259.14719	10.2
260.15512	4.8
261.16357	7.8
263.17944	4.5
265.19592	5.5
269.18970	4.7
271.14590	3.6
273.16357	5.3
274.17029	3.8
275.17966	8.8
276.18448	3.0
277.19363	6.2
283.20554	19.8
285.18872	3.0
287.17932	3.5
289.19553	5.1
299.20425	3.1
300.20844	3.6
301.19458	4.0
303.21173	3.9
331.24402	6.0
349.25305	9.2
375.26862	6.2
468.01312	2.9
491.35385	6.7
565.40076	17.6
583.41547	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85875	2.6
51.00807	2.3
53.03951	6.2
55.05516	20.7
57.07074	10.7
58.01809	2.3
59.05003	4.7
59.74013	2.2
65.03938	4.6
66.80241	2.5
67.05505	29.6
69.03434	10.0
69.07078	24.5
69.54303	17.7
69.70125	2.4
71.82623	2.3
79.05502	30.8
81.07061	45.0
83.04982	8.1
83.08624	10.4
85.06542	6.6
91.05489	56.0
93.07053	61.8
95.04967	11.9
95.08624	38.2
97.06536	6.3
97.10178	3.0
103.05443	5.3
105.04504	3.2
105.07041	86.4
107.08602	49.8
109.06526	10.8
109.10162	22.6
115.05453	6.9
117.07041	18.3
119.08592	100.0
121.06544	6.7
121.10158	50.0
123.08090	19.7
123.11741	6.5
125.06058	3.0
128.06229	16.6
129.07034	19.8
130.07822	7.7
131.08575	34.3
133.06485	4.1
133.10132	39.5
135.08043	13.0
135.11685	11.2
137.09644	8.6
141.06998	8.9
142.07800	33.2
143.08577	52.4
144.09370	4.9
145.10141	51.2
147.08060	13.9
147.11720	16.4
149.09622	7.4
149.13243	4.5
151.07570	14.6
153.07008	6.2
154.07820	5.6
154.65367	2.7
155.08578	22.4
156.09366	21.4
157.10143	63.1
158.10938	8.8
159.08058	5.5
159.11688	31.3
160.93449	2.8
161.09656	6.3
161.13283	7.3
163.11214	10.2
165.07007	16.4
165.09145	33.1
166.07768	4.2
167.08585	9.6
167.10658	13.3
168.09341	12.1
169.10118	32.3
170.10916	11.4
171.11673	34.2
173.09599	2.9
173.13243	27.1
175.11118	4.8
175.14809	8.8
178.07840	4.1
179.08607	20.8
180.09372	9.2
181.10120	20.1
181.12253	6.8
182.10921	11.1
183.11702	29.4
184.12425	5.1
185.13248	17.6
187.11130	3.9
187.14827	8.9
189.12761	7.4
191.08389	3.4
191.14310	7.8
192.09401	10.0
193.10158	20.7
194.10898	11.9
195.11702	25.5
196.12494	6.2
197.13293	21.6
199.14937	15.7
201.12785	3.9
201.16350	2.7
203.14333	15.8
205.10080	6.9
206.10916	9.0
207.11713	17.1
207.13808	9.2
208.12491	9.1
209.13277	32.3
210.14130	3.5
211.14862	12.5
213.16371	6.0
215.14409	3.8
217.10115	4.6
217.15848	10.3
218.10895	6.1
219.11726	9.7
220.12444	9.8
221.13242	19.8
221.15399	57.6
222.14011	6.2
223.14778	15.5
224.15628	3.5
225.16455	4.6
227.14354	5.5
229.10204	3.6
230.11023	3.7
231.11720	7.9
231.17470	3.7
232.12381	3.9
233.13254	14.7
233.15381	5.3
234.13962	6.4
235.14827	17.2
236.15657	4.3
237.16371	6.7
239.18172	2.9
244.12595	3.7
245.13237	10.3
246.14075	4.8
247.14951	12.5
247.17046	5.7
248.15433	3.8
249.16466	10.7
251.17995	5.0
257.13278	5.9
257.19058	7.4
258.14038	4.0
259.14850	6.4
260.15628	6.8
261.16467	11.9
263.17975	7.1
265.19617	10.4
269.18811	3.7
273.16312	4.5
275.17896	9.5
277.19373	4.2
283.20663	15.3
287.20313	4.3
289.19498	3.9
295.20602	3.3
297.21906	6.2
303.21091	3.8
305.18823	3.4
331.24271	6.2
349.25250	3.2
357.25809	4.3
375.26923	7.3
403.29877	4.5
489.36325	3.2
491.35080	6.3
503.34833	5.2
539.84790	3.0
547.39313	4.7
565.40417	17.1
583.41559	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97647	1.0
53.00286	1.1
53.03948	1.8
53.39442	1.1
54.98833	0.9
55.01879	1.1
55.05511	8.0
57.07085	7.3
59.05007	2.2
63.67363	1.0
65.03931	1.5
67.05508	16.8
67.47765	1.2
69.03431	4.5
69.07078	6.6
69.62785	6.3
78.33549	1.1
79.05495	14.4
81.07058	21.4
83.04995	2.1
83.08611	4.3
85.06560	2.4
91.05489	19.3
93.07050	32.1
95.04967	3.8
95.08619	29.4
97.06535	2.7
97.10188	1.9
103.05489	1.4
105.04524	1.4
105.07039	37.3
107.04967	2.1
107.08606	19.1
109.06528	4.3
109.10162	10.8
111.08139	1.5
115.05523	1.4
117.06994	5.3
119.08587	30.7
121.06560	2.3
121.10149	21.3
123.08076	15.0
123.11704	3.3
128.06238	3.8
129.06992	6.8
130.07755	2.8
131.08571	11.1
133.06552	2.9
133.10135	16.4
135.08073	8.2
135.11711	5.0
137.05986	1.7
137.09639	9.7
139.07642	1.4
139.76118	1.1
141.07005	3.2
142.07796	10.4
143.08578	15.6
144.09360	2.6
145.10127	20.7
145.11145	1.7
147.08041	17.1
147.11667	7.6
149.09624	3.4
151.07562	18.2
154.07745	1.4
155.08575	5.9
156.09355	7.1
157.10136	24.5
158.10928	1.9
159.07979	1.1
159.11705	11.5
161.09663	3.6
161.13261	4.0
163.11189	5.4
165.07001	2.9
165.09123	34.8
167.08600	4.7
167.10689	2.0
168.09332	3.2
169.10136	8.8
170.10916	3.3
171.11700	13.8
173.09621	2.7
173.13286	7.0
175.11208	2.3
175.14853	2.2
177.09198	1.7
179.08534	5.1
180.09390	2.6
181.10133	6.8
181.12270	2.0
182.10945	3.8
183.11716	11.7
184.12488	1.4
185.09702	1.2
185.13258	10.4
187.14874	3.5
189.12744	6.5
191.02708	1.2
191.14352	1.7
192.09331	2.1
193.10114	5.5
194.10931	3.3
195.11731	10.5
196.12497	3.6
197.13290	11.0
198.14095	1.5
199.14856	4.7
203.14323	14.6
205.10162	2.0
206.10858	2.6
207.11746	7.9
207.13863	8.1
208.12523	2.7
209.13313	11.5
210.14050	2.2
211.11263	1.1
211.14854	4.3
212.15424	1.2
213.12700	1.4
213.16437	2.1
215.14537	1.7
217.15982	1.8
219.11795	3.2
219.17291	1.3
219.21111	2.2
220.12492	2.8
221.13295	7.0
221.15350	58.1
222.14026	2.2
223.14830	6.8
225.16399	4.2
231.17538	2.9
232.12622	1.3
233.13290	3.8
233.15312	1.9
234.14026	2.4
235.14877	4.8
236.15717	1.3
237.16440	4.1
237.22206	1.5
239.17996	2.5
244.12552	1.2
245.13348	2.5
246.14102	1.2
247.14821	3.1
247.17056	2.3
249.16449	3.6
251.18027	3.5
253.15979	1.4
253.19598	1.5
257.19077	2.3
258.14075	1.3
259.14886	3.8
261.16348	3.0
262.17181	1.3
263.18082	3.9
265.19620	3.9
269.18936	2.2
271.20413	2.3
273.16245	2.0
275.17981	3.5
277.19403	2.0
279.20999	1.6
283.20670	3.8
287.20245	3.0
289.19485	2.1
291.21216	1.2
294.31381	1.2
295.20651	2.6
297.22147	6.6
309.22253	1.5
315.20975	1.6
329.22827	1.8
331.24207	1.6
333.22192	1.9
349.25452	2.9
351.22891	1.1
352.23965	1.5
357.25906	3.2
365.24777	3.3
375.26889	7.7
385.29193	2.1
385.52164	1.1
403.29971	13.2
453.32422	1.1
456.35123	1.4
491.35098	2.3
503.35330	7.4
509.34509	3.2
547.39551	2.9
565.40466	30.9
583.41541	100.0
584.41504	2.3
606.51965	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39714	1.4
51.02378	2.4
53.03947	6.2
55.05302	1.7
55.05519	15.3
56.96525	1.4
57.07079	13.3
59.05007	4.3
65.03933	3.8
67.05512	24.6
69.03436	10.4
69.07074	18.1
69.20147	16.5
72.60308	1.6
79.05499	27.8
79.05910	2.6
79.17047	1.6
81.07061	38.4
83.04997	8.1
83.08625	10.6
83.99072	1.5
85.06554	9.3
89.21839	1.5
91.04907	1.7
91.05484	57.5
93.07047	63.7
95.04977	13.5
95.08610	42.8
97.06540	7.0
97.10147	1.7
98.21521	3.2
98.97596	1.8
99.09251	3.0
103.05482	5.3
105.04554	2.2
105.07038	82.7
107.04936	1.8
107.07872	2.8
107.08601	51.2
107.09303	3.1
109.06508	12.4
109.10160	26.6
111.08086	3.2
113.09635	2.7
115.05478	5.6
116.06232	2.1
117.07020	20.1
119.08589	77.1
121.06531	7.2
121.10155	54.1
123.08070	21.7
123.11705	7.9
125.05995	4.0
125.09657	2.8
128.06241	16.5
129.07008	20.6
130.07816	6.5
131.08577	39.0
131.13817	1.3
133.06522	3.5
133.10141	43.1
135.08055	14.2
135.11714	13.0
137.09637	14.4
137.13239	1.8
139.11209	2.4
141.06989	11.1
142.07777	28.5
143.08563	47.3
144.09354	8.4
145.10130	59.8
146.10788	2.0
147.08055	23.6
147.11687	18.3
149.09630	9.2
149.13220	3.2
151.07553	22.2
151.11156	3.1
153.06996	6.5
154.07832	4.9
155.08540	21.5
156.09367	18.4
157.10133	64.4
158.10951	9.1
159.08095	5.3
159.11711	30.3
160.08849	2.8
161.09656	6.0
161.13242	12.0
163.11234	8.1
165.07001	6.5
165.09120	47.5
166.07802	5.3
167.08577	12.4
167.10649	11.8
168.09380	10.6
169.10129	32.4
170.10927	7.9
171.11697	36.5
172.12485	2.3
173.09619	4.4
173.13272	26.5
175.11247	5.0
175.14816	9.7
178.07816	3.3
179.08583	15.5
180.09323	7.8
181.10144	16.4
181.12303	6.6
182.10941	11.8
183.11716	30.5
184.12518	7.2
185.13257	19.8
187.11211	3.8
187.14807	7.8
189.12703	9.3
189.16470	2.0
191.08600	2.2
191.14336	8.6
192.09419	6.6
193.10153	20.7
194.10902	12.3
195.11726	26.9
196.12463	8.4
197.13249	26.3
199.11200	2.2
199.14828	16.7
201.12724	2.4
201.16510	3.9
203.08691	2.1
203.14305	19.1
204.09387	3.1
205.10138	6.6
206.10910	9.1
207.11751	20.2
207.13838	10.1
208.12498	8.1
208.83597	1.7
209.13286	35.1
209.15285	3.4
210.14090	4.3
211.14798	12.5
213.12918	4.2
213.16449	4.8
215.14366	3.4
216.09479	2.8
217.10121	2.5
217.15938	7.4
218.10956	4.9
219.11700	9.0
220.12479	7.3
221.13278	18.8
221.15433	76.6
222.14079	5.4
223.14812	21.2
224.15781	2.3
225.16327	8.1
227.14445	2.0
227.17783	1.8
229.10141	3.7
230.11012	2.4
231.11646	7.8
231.17583	5.2
232.12498	5.2
233.13300	12.2
233.15443	4.7
234.14105	5.1
235.14795	15.2
235.16844	1.8
236.15692	2.0
237.16376	8.6
238.17105	2.6
239.18028	5.7
241.19347	1.7
243.11751	3.3
244.12589	3.0
245.13170	8.9
246.14099	5.8
247.14807	13.2
247.16876	1.3
248.15584	4.5
249.16443	9.8
250.17171	2.3
251.14479	2.7
251.17984	7.0
253.19504	2.9
255.17384	2.6
257.13248	3.7
257.18973	5.8
258.14078	3.9
259.14911	6.8
260.15649	6.5
261.16345	11.4
262.17163	2.3
263.18076	8.1
265.19528	8.0
269.13098	2.5
269.19110	4.9
271.20541	2.5
273.16428	6.3
274.17264	3.4
275.17892	12.2
277.19586	5.7
279.21149	3.0
281.19012	2.7
283.14954	1.7
283.20605	16.4
284.15744	2.2
285.16364	2.6
287.17780	3.7
289.19528	4.8
291.21030	3.4
293.18951	2.6
295.20517	4.2
297.22223	6.5
299.20218	3.9
300.21030	2.7
301.19263	3.4
313.19302	1.9
315.21185	2.3
317.22787	2.1
321.22269	2.6
323.18088	2.0
329.22836	1.9
331.24207	6.5
335.23465	1.9
343.24234	2.1
347.23868	2.9
349.25323	9.4
352.24228	3.0
357.25888	2.6
361.25378	2.4
365.24698	2.4
375.26843	9.2
403.30057	7.0
410.09549	2.3
412.99222	1.7
491.35043	3.1
503.35391	5.6
509.34058	3.5
534.50165	1.7
547.39630	6.1
565.40369	25.1
583.41528	100.0
610.14453	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92058	2.0
53.03939	4.3
55.05293	1.6
55.05521	11.6
57.07067	6.6
59.04996	3.7
59.27227	1.6
62.20929	1.8
65.03941	3.4
67.05514	17.9
69.03432	6.1
69.07079	13.0
76.34861	1.8
77.03906	1.8
77.15198	1.7
79.05499	20.3
81.07060	25.9
83.04979	6.3
83.08609	7.3
85.06532	6.6
85.74534	1.6
91.05490	33.9
93.07052	46.3
95.04974	9.0
95.08617	25.5
97.06534	5.5
97.10194	2.9
101.34686	1.8
103.05495	2.5
105.07037	54.0
107.08606	40.6
109.06530	6.5
109.10181	15.3
111.08129	2.7
115.05459	4.3
116.06245	2.9
117.07010	9.7
119.08594	62.4
121.06507	4.5
121.10148	49.8
123.08073	9.8
123.11719	5.3
125.09599	4.2
128.06230	7.8
129.06995	11.6
130.07787	5.3
130.76875	1.9
131.08586	26.5
133.10144	38.1
135.08078	7.4
135.11693	12.1
137.09624	7.8
139.11232	3.2
141.07022	8.4
142.07777	16.2
143.08572	27.9
144.09366	6.2
145.10130	40.3
147.08020	10.1
147.11703	14.2
149.09650	7.3
149.13182	1.8
151.07552	14.8
151.11160	2.2
153.07027	3.6
154.07759	3.1
155.08582	17.7
155.10652	3.2
156.09361	14.2
157.10124	38.1
158.10956	5.4
159.08067	3.8
159.11710	17.3
161.09619	5.5
161.13257	7.7
163.11234	4.2
165.07005	5.1
165.09123	11.3
166.07785	2.6
167.08553	7.8
167.10687	36.2
168.09334	6.1
169.10143	22.6
170.10963	7.0
171.11716	26.2
173.09659	3.9
173.13264	19.5
175.11209	4.0
175.14819	9.5
177.12653	3.2
179.08574	11.9
180.09372	3.9
181.10159	14.4
181.12259	4.3
182.10919	5.2
183.11714	20.1
184.12561	3.9
184.82903	1.8
185.13306	15.8
187.11250	4.3
187.14859	5.9
189.12788	5.2
191.14388	6.2
192.09323	3.7
193.10187	11.8
193.11913	1.8
194.10951	6.5
195.11737	21.6
196.12459	4.6
197.13264	15.0
199.14821	14.1
201.12669	2.0
201.16478	4.9
203.14380	7.4
204.09323	2.2
205.10107	4.5
205.15977	2.0
206.10913	7.0
207.11707	14.9
207.13812	6.8
208.12534	6.7
209.13303	20.9
209.15219	2.6
211.14893	10.9
213.16470	2.7
215.14409	4.3
217.10262	2.8
217.15889	4.5
219.11717	5.0
220.12561	4.3
221.13271	12.0
221.15424	24.7
222.14149	4.0
223.14748	12.3
225.16412	5.1
227.14426	2.4
229.15866	2.1
231.11765	4.4
231.17494	2.5
232.12517	4.3
233.13211	7.5
233.15414	9.8
234.14104	2.5
235.14839	9.8
236.15671	2.5
237.16409	8.4
239.14522	2.4
239.17955	2.7
243.11665	2.5
245.13208	3.9
246.14050	5.0
247.14874	7.8
249.16479	6.2
251.17966	4.4
257.19058	4.8
258.14035	3.8
259.14862	5.0
260.15665	3.2
261.16391	9.8
263.17957	5.6
264.18860	2.1
265.19720	4.6
269.19006	5.5
271.20724	2.6
273.16333	5.0
275.17957	7.6
277.19345	2.2
283.20667	8.9
285.18854	2.3
289.19611	3.0
293.19037	2.7
295.20731	3.5
297.22156	2.7
301.19366	2.4
305.19226	2.1
315.21094	2.0
317.22702	3.2
331.24179	3.4
347.23508	3.6
349.25336	6.1
355.24493	2.1
357.25879	2.4
361.25278	4.2
375.27026	4.0
401.28595	2.2
403.30038	5.6
491.35095	3.5
503.35034	3.1
509.34552	2.3
547.39221	3.7
565.40503	15.8
583.41455	100.0
584.41559	3.0
600.78802	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	583.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30762	2.3
53.03951	7.1
55.01876	3.1
55.05521	23.6
56.70710	2.3
57.07079	8.7
59.04984	2.7
65.03944	5.9
67.05173	3.2
67.05514	37.8
69.03439	9.7
69.07081	25.7
71.04989	4.0
73.62105	2.4
76.07093	2.1
79.05499	39.3
81.07062	45.7
83.04995	9.4
83.08624	15.9
85.06541	8.4
91.05489	52.4
93.07054	78.1
95.04990	13.9
95.08620	46.9
97.06535	11.2
99.30142	2.3
103.05499	4.3
105.07045	89.5
107.08612	55.8
109.06553	11.1
109.10163	32.2
111.08102	3.9
115.05492	6.0
117.07014	20.8
119.08595	100.0
121.06506	3.9
121.10157	75.0
123.08071	13.4
123.11725	9.1
125.06054	2.9
125.09656	5.1
128.06233	18.8
129.07028	23.6
130.07822	5.8
131.08574	44.3
133.06508	3.3
133.10149	49.1
135.08090	12.0
135.11688	24.3
137.09660	9.9
139.11180	5.7
141.07011	9.4
142.07802	28.1
143.08571	48.2
144.09364	7.2
145.10132	71.2
147.08076	11.3
147.11685	17.3
149.09644	10.9
149.13274	4.1
151.07591	10.1
151.11198	2.7
153.07025	5.3
154.07816	4.1
155.08563	20.2
155.10684	4.1
156.09369	23.4
157.10138	62.7
158.10938	9.7
159.08095	7.7
159.11722	35.8
161.09666	9.2
161.13266	6.6
163.11255	7.8
163.14882	2.6
165.07004	7.5
165.09111	15.9
166.07838	4.1
167.08586	11.8
167.10681	54.8
168.09393	10.5
169.10150	32.5
170.10954	9.4
171.11699	39.5
172.62195	2.8
173.09631	3.8
173.13275	31.0
175.11263	7.6
175.14752	12.7
179.08516	16.2
180.09389	8.2
181.10130	20.1
181.12248	8.7
182.10965	10.4
183.11722	29.3
184.12567	5.8
185.09683	3.4
185.13260	17.4
187.11313	4.4
187.14833	12.2
189.12804	5.6
189.16411	2.6
191.14336	9.8
192.09416	7.0
193.10101	19.5
194.10936	14.0
195.11755	22.1
196.12553	7.3
197.13257	27.6
199.14832	26.5
201.12900	2.4
201.16501	5.0
203.14401	9.7
205.10199	6.1
206.10962	10.9
207.11746	19.2
207.13612	4.4
208.12569	7.7
209.13301	37.8
210.14111	3.8
211.14897	15.3
213.16309	6.2
215.14368	7.5
217.10135	4.1
217.15863	20.9
218.10982	3.2
219.11774	7.5
219.17435	3.0
220.12531	6.1
221.13309	23.7
221.15463	31.1
222.14061	5.3
223.14874	16.9
224.15512	3.5
225.16368	7.2
231.11711	7.3
232.12518	6.6
233.13281	8.4
233.15431	17.2
235.14803	13.2
236.15508	3.3
237.16441	8.5
239.18022	5.7
243.11861	2.8
244.12437	2.8
245.13252	8.3
246.14040	4.7
247.14929	8.5
248.15627	3.5
249.16403	7.7
251.18069	7.0
253.19562	3.1
255.17470	3.0
257.13239	2.8
257.19061	6.9
259.14874	8.3
261.16501	9.1
262.17123	3.0
263.17938	5.9
265.19647	7.2
267.17456	3.1
269.18927	4.4
271.14835	5.8
271.20758	2.8
273.16327	6.6
274.17188	3.7
275.18045	10.9
277.19418	3.7
281.19006	4.5
283.20572	14.9
285.18869	3.7
287.20178	2.8
293.19125	5.3
295.20520	3.2
297.21924	3.7
299.20325	5.6
301.19440	3.4
313.19385	2.5
317.22443	3.5
329.22913	3.1
331.24350	4.3
347.23645	3.8
349.25351	7.8
361.25223	4.0
364.24152	3.9
375.26819	4.0
491.35104	4.8
503.35474	2.6
509.34067	2.8
547.39673	4.5
565.40399	20.5
583.41602	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
55.01869	1.6
55.05516	4.5
55.72778	0.6
56.96577	0.7
57.03422	1.0
57.07062	1.8
58.12683	0.5
59.05000	0.8
65.03944	1.1
67.05183	0.6
67.05512	10.3
69.03434	1.5
69.07079	5.1
71.01354	1.6
71.05001	1.7
71.55380	0.7
77.29791	0.6
79.05501	5.9
81.03426	3.5
81.07067	14.1
83.04985	4.8
83.08636	3.8
85.02910	2.8
85.06555	0.9
91.05495	7.0
93.07053	12.1
95.04978	4.7
95.08618	20.9
97.06527	2.2
97.10157	2.0
99.04440	1.6
101.02386	2.3
105.07043	12.6
107.08609	18.2
109.06503	2.8
109.10167	13.8
111.04472	1.2
111.08102	1.4
117.07012	1.3
119.08594	19.2
121.06534	2.8
121.10155	14.8
123.08080	1.3
123.11727	5.2
125.09603	1.7
125.93134	0.5
126.90757	0.6
127.03930	51.1
129.07010	1.0
130.07813	0.5
131.08588	2.6
133.06474	1.0
133.10146	15.9
133.11096	1.1
135.08078	3.6
135.11707	15.7
137.09676	0.8
137.13280	2.9
138.24908	0.5
139.11212	0.9
142.07811	0.7
143.08598	1.5
145.05000	2.6
145.10150	5.2
147.08063	1.5
147.11694	10.8
149.09639	4.7
149.12175	0.6
149.13176	2.8
151.11212	1.2
155.08601	1.0
157.10138	3.7
159.08119	0.5
159.11697	4.4
161.09650	3.2
161.13292	6.3
163.11180	1.9
163.14856	2.1
169.10141	1.4
171.11728	3.3
173.09627	1.1
173.13219	4.4
175.11212	4.2
175.14856	8.8
177.12830	1.0
177.16402	4.6
179.14320	0.7
185.13272	1.8
187.14836	5.7
189.12781	1.7
189.16399	14.6
191.18004	2.3
193.12328	0.8
193.15889	0.8
196.12508	0.7
199.14835	1.4
201.12753	0.8
201.16417	2.4
203.14388	1.7
203.17999	6.0
207.17381	1.0
211.13217	0.9
211.14929	1.4
213.16423	3.9
215.14302	0.8
215.17969	1.3
217.15929	1.8
217.19560	0.6
221.15355	1.1
225.16449	1.3
227.17935	1.9
229.16060	0.9
229.19695	0.8
231.17456	9.7
235.16978	3.1
241.19527	1.2
245.19080	6.5
255.09291	0.7
257.22690	1.1
259.20667	1.4
267.21085	1.6
281.22580	0.9
285.22095	4.5
287.23880	0.9
299.23761	1.0
303.23166	0.9
375.21695	1.1
399.03262	0.6
403.33517	1.4
421.34805	6.3
429.26337	1.9
439.35745	22.5
439.41776	1.3
565.30029	1.6
565.38965	2.5
583.31036	10.5
583.39911	100.0
584.40503	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.361
Annotation	Camangeloyl acid
Peak:m/z	Relative Intensity
53.03931	0.6
55.01880	0.4
55.05513	2.3
57.03442	1.0
57.07066	1.2
62.34020	0.4
67.05508	6.8
67.55222	0.3
69.03431	0.9
69.07063	2.4
70.99021	0.9
79.05495	4.1
81.07060	7.0
83.04969	0.6
83.08626	1.6
87.69827	0.4
87.79624	0.4
90.61108	0.3
91.05482	2.9
92.59249	0.4
93.07048	5.0
95.04952	0.9
95.08612	7.6
97.10193	0.9
103.26519	0.3
105.07029	3.1
106.22429	0.4
107.05002	0.6
107.08620	2.7
109.06535	0.4
109.10169	3.2
111.04439	0.9
117.07030	0.6
119.08562	2.7
121.06442	0.4
121.10129	3.0
123.08099	0.4
123.11667	0.7
129.05469	1.3
129.07047	0.4
131.08578	1.3
133.10129	1.7
135.11664	1.9
143.08492	0.4
145.10115	1.4
147.11748	0.8
149.13284	0.5
157.10091	0.4
159.11699	0.6
163.11121	0.8
165.09175	0.5
169.10126	0.7
173.13376	0.4
180.09259	0.4
183.11632	0.4
191.17947	0.8
195.11618	0.4
197.13287	0.4
209.13327	0.8
209.18910	0.5
211.20595	0.4
217.19521	0.7
219.21103	0.6
221.15453	1.0
237.22214	0.4
249.10997	31.6
267.19684	0.4
305.13565	3.8
335.25854	1.3
357.23831	0.4
357.53363	0.4
538.00635	0.4
583.35999	100.0
584.35986	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	16.4
57.03439	9.2
57.07079	5.4
57.19242	4.5
59.05002	3.8
67.05508	93.9
69.07067	19.8
69.56114	30.3
70.27435	4.1
71.05002	20.5
79.05499	32.8
81.07066	46.3
83.08627	7.9
91.05496	28.0
93.07052	43.2
95.04979	9.8
95.08617	31.3
97.06515	4.6
105.07032	16.1
107.08604	26.8
109.10172	57.5
116.99236	3.6
117.07021	8.8
119.08582	19.6
121.10152	16.3
133.10139	7.6
135.11722	13.0
137.09642	8.9
145.10118	6.8
159.11699	5.1
167.10670	4.7
173.11702	9.5
173.13098	4.6
287.18521	17.5
335.25955	31.2
352.24292	5.8
489.35754	100.0
515.37433	6.3
547.40198	39.5
582.40863	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.5
55.01878	5.1
55.05511	28.8
57.03441	8.7
59.05001	5.1
65.03934	5.0
67.05507	100.0
69.03426	22.2
69.07066	6.9
71.04994	7.7
71.89906	1.7
79.05499	24.3
79.05926	3.0
81.03422	98.1
81.07055	35.9
83.04980	16.6
83.08624	20.9
85.02906	20.8
85.06539	5.0
91.05485	28.8
93.07052	19.8
95.04971	24.7
95.08624	13.8
95.41048	1.5
97.02892	18.7
97.06537	5.1
97.10171	9.9
98.20782	3.4
99.04479	5.3
105.07027	13.2
107.04961	8.9
107.08607	13.1
109.02891	20.0
109.06518	4.5
109.10156	66.4
111.04464	16.0
111.08107	8.7
113.06007	1.8
117.07050	3.2
119.08590	17.2
121.06518	6.1
121.10159	5.9
123.04465	3.8
123.08134	2.1
123.11744	2.4
125.09631	8.6
127.03942	11.6
129.07025	6.0
131.08589	7.7
133.06514	5.5
133.10161	5.0
135.11696	2.5
137.09647	4.9
142.07848	2.4
145.06509	1.9
145.10117	4.6
147.04395	2.2
147.08040	3.5
147.11671	11.7
149.09668	4.7
155.10635	4.3
157.10184	8.0
159.08087	1.9
159.11794	3.1
163.11234	4.0
165.12733	3.0
171.11729	2.4
173.11758	19.4
175.09966	1.7
175.11192	9.1
181.12274	3.3
189.11279	4.5
191.10768	3.3
193.12251	32.7
193.13873	2.7
211.13297	43.4
227.12737	7.8
229.14331	17.6
235.13428	3.2
245.11771	2.0
249.14973	1.8
257.13712	2.5
267.16006	5.5
273.14923	2.6
277.14377	2.2
285.16965	3.3
299.14883	7.4
301.14465	5.8
309.16971	3.9
319.15350	3.0
329.21240	2.8
331.17545	2.8
337.16467	3.6
355.17447	11.2
355.21613	1.9
369.19675	4.3
373.18439	2.2
375.18237	2.5
387.20670	3.1
403.24890	3.5
411.20117	4.5
421.25873	11.6
439.26913	19.4
463.27350	2.1
505.28052	4.9
529.28503	3.0
547.28949	2.3
555.06360	1.9
565.30304	6.5
567.82910	1.9
583.31158	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04896	0.5
69.75298	2.5
80.92823	0.5
81.07078	0.5
88.58724	0.5
95.08607	0.7
98.20805	0.7
122.32140	0.6
152.11185	0.5
283.18921	0.9
293.20956	1.9
311.21970	7.4
339.25107	2.6
521.13409	0.7
581.43909	100.0
582.44586	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.5
65.35391	0.3
67.05508	0.7
69.07073	0.7
71.21253	0.6
79.05510	0.5
81.07056	0.9
83.08625	0.3
91.05506	0.5
91.51060	0.4
93.07076	0.5
95.04990	0.4
95.08624	0.6
105.07024	0.5
109.10180	0.4
117.07098	0.4
119.08602	0.9
121.10145	0.4
121.80218	0.3
133.10225	0.4
135.95786	0.3
145.10155	0.4
157.10219	0.4
247.13194	1.3
293.21103	1.4
303.15930	0.5
311.21936	9.7
339.25314	0.6
519.44379	0.4
560.95416	0.3
581.44226	100.0
582.44995	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07088	1.7
67.05505	2.5
69.07057	2.6
71.55966	1.2
80.23197	1.0
81.07072	2.0
83.04984	1.0
83.08618	1.2
93.07111	1.6
95.08583	1.3
105.07065	1.6
107.08614	1.8
119.08583	1.2
133.10139	1.1
142.91644	1.1
173.46332	1.1
260.56259	1.1
293.20850	2.3
296.18622	1.2
311.21973	6.2
339.25235	2.2
396.19690	1.1
581.43970	100.0
582.44788	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1503
Annotation	Carlinoside
Peak:m/z	Relative Intensity
51.85680	2.7
68.21986	2.5
68.99794	4.2
69.57124	5.3
69.57529	16.0
78.76658	2.6
85.02909	5.8
88.65981	2.7
96.02917	3.1
98.15983	2.5
107.04900	3.2
109.02901	5.3
118.91172	2.6
120.32691	2.7
121.02885	4.4
135.04407	15.8
137.02353	49.6
137.03397	5.0
149.02281	3.3
159.04436	4.8
161.02342	11.0
171.04451	3.3
175.03882	4.3
177.01807	8.6
179.03409	3.7
187.03918	4.7
189.01845	18.0
191.03371	7.3
195.02887	8.4
199.03952	4.3
203.03412	24.3
205.04945	3.9
207.02884	11.2
213.05385	5.4
215.03369	13.3
217.04904	8.4
217.59442	3.1
219.02863	5.5
230.04988	2.9
233.04457	5.0
243.02962	8.0
283.05972	7.1
284.06937	3.9
295.06100	7.7
296.06857	4.5
297.07663	5.6
299.05521	10.3
307.06097	3.1
309.07477	8.2
310.04828	21.1
311.05536	95.3
311.08798	4.1
312.06232	8.6
313.07162	10.6
321.07471	4.1
322.08313	3.9
323.05545	66.4
323.09012	3.8
324.06210	20.8
325.07095	29.0
329.06653	5.4
335.05411	7.4
336.06314	11.1
337.07062	63.4
338.07761	9.0
339.04922	4.5
339.08728	3.7
341.06570	80.5
349.07092	29.1
350.07983	5.5
351.08621	23.2
352.05698	4.1
353.06555	52.9
355.08179	6.2
361.07013	12.6
363.08578	13.7
364.05847	4.1
365.06561	63.8
365.10733	7.1
367.08130	31.9
371.07602	7.2
375.08554	4.8
377.06332	33.9
377.09763	3.7
378.07480	4.6
379.08109	26.0
381.09790	4.1
383.07736	10.0
389.06570	10.9
391.08130	12.2
395.07587	88.1
405.09692	5.9
407.07623	64.5
413.08688	29.8
417.09961	6.3
419.07489	17.5
421.09128	4.3
425.08694	91.4
431.08578	10.3
433.09277	5.3
437.08716	14.2
443.09793	100.0
449.08853	17.8
455.09485	15.8
461.10220	19.9
467.09778	19.5
473.10931	22.0
479.09863	6.9
485.10977	19.2
491.10669	9.9
497.10764	38.8
509.10898	24.8
515.11823	30.6
527.11853	63.2
545.12939	47.4
563.13910	17.3
581.14832	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	581.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.7
69.58945	4.6
69.59357	10.1
85.02930	2.2
103.03954	3.3
107.04990	3.9
109.02871	2.7
115.74544	2.2
135.04427	8.7
137.02339	32.1
137.03337	2.9
159.04405	4.4
161.02341	7.2
163.03862	3.4
171.84813	2.3
177.01765	5.9
179.03392	3.7
181.81027	2.7
189.01871	7.6
191.03455	6.8
195.02904	4.8
199.03716	3.2
203.03418	16.0
207.03036	5.2
208.56932	2.9
215.03363	5.2
217.05057	5.2
219.02931	5.4
221.04393	2.7
227.03322	5.0
229.04861	2.9
245.04436	3.4
255.02956	3.3
273.03925	3.7
284.06915	3.1
295.06046	4.8
297.07507	6.2
299.05307	5.4
307.05859	2.8
308.06763	3.6
309.07513	6.9
310.04688	17.6
311.05518	63.9
312.06174	7.6
313.07098	9.2
321.07690	3.0
322.08521	3.1
323.05502	49.5
324.06274	15.3
325.07114	13.4
329.06656	5.5
333.07520	4.4
335.05368	5.6
336.06168	10.6
337.07120	45.5
338.07947	4.9
339.04984	4.0
339.08560	6.1
341.06573	65.2
345.07343	3.2
349.07080	21.8
350.07880	4.1
351.08615	16.0
352.05801	3.6
353.06589	51.2
355.08200	4.4
361.07187	11.8
363.08612	8.0
365.06555	49.0
367.08090	22.4
371.07492	9.3
375.08548	3.9
377.06598	25.5
379.08206	23.3
383.07474	6.0
389.06555	14.7
391.08176	9.6
395.07654	59.8
403.08215	6.5
407.07617	52.0
413.08640	5.0
419.07550	7.0
421.09158	4.1
425.08704	76.7
431.07684	5.5
437.08826	8.9
443.09778	100.0
449.08731	9.6
455.09460	6.7
461.09619	10.5
467.09750	3.9
473.10803	17.3
479.09720	7.1
485.10922	7.5
491.10233	13.4
497.10904	27.4
509.10907	18.7
515.11713	16.1
527.11853	62.9
545.12988	30.4
563.13684	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	580.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05389	2.2
53.03928	3.6
55.05514	15.9
57.03434	2.2
57.07077	2.4
59.01376	1.8
61.02925	4.1
62.06088	2.2
67.05513	28.4
69.03426	5.4
69.07073	20.1
70.06579	9.8
70.26357	4.1
70.26752	4.5
71.06969	2.0
79.05506	12.8
81.03424	3.8
81.07059	47.1
83.04979	3.4
83.08602	5.8
84.04472	2.4
84.08140	2.3
85.02910	16.3
85.06541	4.4
86.09719	3.4
91.05484	28.6
93.06478	4.0
93.07049	78.0
95.04954	4.3
95.08613	67.5
97.02879	6.1
97.10152	5.6
98.97562	2.4
103.05467	2.4
105.07036	73.6
107.08601	68.6
109.02876	3.8
109.06487	2.6
109.10165	87.1
117.06998	3.3
119.08591	47.8
120.08054	2.4
121.10146	37.0
123.08054	3.1
123.11725	19.3
124.03934	3.5
125.09647	3.5
127.03911	6.4
131.08553	2.0
133.10136	39.0
135.11699	64.1
135.12711	3.3
139.11186	2.5
143.08580	2.3
144.46492	2.3
145.02846	7.1
145.04945	6.7
145.10120	5.5
147.04378	2.8
147.11697	70.2
149.13280	7.5
158.07780	2.0
161.09641	2.3
161.13280	21.6
163.03807	2.8
163.06026	3.0
163.14819	4.7
166.03818	2.3
167.07117	4.2
175.14824	9.3
177.05511	9.5
203.17967	100.0
205.19453	3.0
221.12952	2.7
221.19052	13.3
297.07513	2.3
328.08997	3.5
339.13010	2.2
352.08728	2.5
365.23145	2.6
404.16980	2.6
448.12949	2.8
580.20422	2.3
581.18256	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73921	1.6
53.03942	4.2
54.24776	1.3
55.01888	3.3
55.05516	15.9
57.03453	8.0
57.07070	3.3
60.68746	1.3
65.03912	1.7
67.05511	43.7
69.07076	18.8
69.60899	7.2
71.04992	3.4
74.84304	1.3
79.05067	1.7
79.05499	23.4
81.03418	3.2
81.07063	49.1
82.07388	2.2
83.04977	3.4
83.08618	15.1
83.94692	1.3
91.05492	15.3
92.05791	1.5
93.07050	36.7
94.07353	2.0
95.04955	5.4
95.08614	48.8
97.06525	4.2
97.10172	5.0
98.21507	1.9
99.04475	2.7
99.08080	2.0
105.07037	10.2
107.04955	5.6
107.08608	21.1
109.06551	2.5
109.10175	9.7
111.08079	2.3
117.07022	6.1
119.08607	10.8
121.06503	4.4
121.10164	13.0
123.11707	3.7
131.08572	2.0
133.10129	5.4
135.08032	1.8
135.11696	34.9
137.13216	1.8
145.10149	14.1
147.11713	4.1
159.11668	2.0
161.13249	2.5
163.11198	33.1
163.14926	2.3
181.12225	4.4
222.66521	1.4
227.12804	52.9
263.23630	1.9
283.15402	33.3
285.16888	2.1
335.25793	3.5
337.27393	100.0
338.27618	1.7
354.32819	1.5
372.42960	1.4
398.22372	1.6
409.91031	1.4
530.39032	6.3
545.38428	54.0
545.46808	2.5
548.40356	2.7
548.49268	1.5
580.42920	14.8
581.43341	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1717
Annotation	Eriosemaside C
Peak:m/z	Relative Intensity
54.27388	0.2
57.03434	0.6
67.05499	0.5
69.03436	1.7
69.07066	0.6
71.16090	0.3
71.16414	0.2
79.05496	0.4
81.03423	0.3
81.07067	0.6
85.02911	1.5
87.04463	0.9
91.05483	0.6
93.07043	0.4
95.08620	0.6
97.02897	1.2
98.97565	0.7
105.07021	0.5
107.04957	0.5
107.08562	0.3
115.03934	1.0
118.04178	0.5
119.04972	0.4
119.08575	0.3
121.10087	0.3
123.04432	2.3
124.01552	0.6
127.03940	0.6
133.04964	0.8
133.06465	0.4
133.10153	0.3
134.40804	0.2
139.03979	0.3
147.04417	1.1
149.02354	1.9
152.01057	2.0
153.01831	1.0
158.03661	0.4
158.99754	0.2
161.09666	0.2
163.03969	0.5
167.03365	0.2
167.07010	0.5
167.18024	0.2
168.96361	0.2
170.02136	2.1
179.03458	0.4
187.07471	0.3
201.05588	0.3
213.05472	0.7
228.26489	0.2
229.08640	3.1
241.05063	0.4
242.05798	1.7
252.04214	0.6
253.04987	2.1
269.04510	1.6
270.05252	4.4
274.16193	0.4
285.07599	100.0
286.07864	0.6
297.07709	0.2
327.08594	0.6
355.18817	0.7
417.11951	0.5
447.12885	4.7
543.14594	0.3
579.21191	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.1
57.03468	0.8
60.04527	0.9
65.03934	1.8
67.05486	1.8
69.03416	2.5
69.07056	0.9
71.04999	8.7
71.31708	1.3
79.05486	3.4
81.03405	1.8
81.07041	2.7
85.02899	1.6
91.05486	19.9
93.07038	2.1
95.04996	1.0
95.08588	2.0
97.02895	1.1
99.03841	1.8
99.04460	24.7
99.05106	1.5
100.80062	1.0
103.05476	0.9
103.21468	0.7
105.07035	40.8
106.02950	1.5
107.08571	1.6
109.06540	0.9
109.10151	1.5
114.64990	0.8
119.04101	1.7
119.04949	32.4
119.08572	2.8
121.06507	2.6
123.08022	2.7
123.11720	1.7
127.03945	1.1
128.06194	1.2
131.08569	1.6
133.06485	3.6
133.10139	23.9
135.11678	1.3
137.05954	1.4
143.08545	1.7
143.19975	0.8
145.10118	1.2
146.07256	2.4
147.04419	100.0
147.11623	0.8
148.04774	1.1
151.03893	1.3
151.07550	1.8
151.11203	1.1
153.05482	1.0
161.09628	52.1
163.11188	10.4
167.07149	1.2
179.10677	23.0
180.06519	1.5
189.09126	4.8
198.07683	1.4
207.10146	5.4
269.17645	0.9
315.08878	1.1
404.16876	1.8
437.68939	0.9
497.22540	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16733	0.6
53.03928	1.2
55.05505	0.7
57.03442	4.8
57.07095	0.7
59.04984	0.8
59.74955	0.7
62.74619	0.7
67.05489	1.1
69.03090	1.0
69.03439	14.7
69.07058	1.4
70.06575	1.9
70.74734	2.0
71.05000	1.0
73.02918	1.3
77.14900	0.7
79.05495	1.6
81.03419	2.7
81.07049	2.2
83.04929	0.8
83.08619	0.8
84.08150	4.5
85.02423	1.2
85.02907	12.2
86.09701	1.2
87.04475	6.6
91.05479	2.0
93.07045	2.0
95.04969	0.8
95.08590	2.9
97.02901	8.2
98.97594	1.4
99.04453	0.8
100.69457	0.7
105.07021	3.7
107.04974	2.2
107.08613	1.3
109.02875	2.0
109.10175	1.5
115.03952	4.1
115.89354	0.7
119.04905	1.4
119.08558	0.8
120.08065	0.9
121.02871	1.8
121.06533	0.8
121.10131	1.0
122.80672	0.6
123.04401	1.1
123.08072	0.7
124.79594	0.6
127.03924	2.6
132.05681	1.2
133.04962	2.8
133.06535	1.2
133.10152	1.5
135.04478	3.4
135.11778	0.8
137.05977	2.9
139.03902	1.2
143.08464	0.6
145.04950	0.9
145.06522	1.3
147.04398	2.5
147.11615	1.1
149.02338	1.4
151.07492	0.7
161.09619	2.1
163.03938	2.1
165.01923	1.4
167.03444	2.5
167.07005	4.1
173.02449	1.3
175.07480	0.7
181.06577	0.9
182.07268	0.7
187.03874	1.1
191.03394	1.0
194.02106	1.7
197.09602	1.2
199.05991	0.7
208.03645	1.2
209.08226	0.8
238.06274	1.1
239.79718	0.7
253.08702	4.7
254.05797	1.6
255.23245	1.0
265.08615	1.0
266.05893	1.2
267.06699	0.7
267.10138	1.4
269.04730	0.6
269.08038	1.8
273.83145	0.7
277.08499	0.8
279.10281	0.8
280.07355	1.9
281.08105	10.6
282.05228	3.3
283.05978	2.7
284.06851	2.9
285.07620	5.2
291.06491	0.7
293.04453	0.8
294.05411	1.0
294.08737	0.9
295.05951	1.4
295.09619	5.1
297.07593	78.4
298.08347	5.2
307.06024	1.0
307.09647	0.9
308.06818	2.3
309.07639	13.9
310.07242	0.7
311.05798	1.4
311.09045	1.1
319.09634	2.7
321.07721	3.8
322.08389	1.4
323.05539	2.1
323.09100	22.4
325.07217	1.6
327.08652	100.0
331.07956	0.7
335.09207	1.9
337.07129	1.2
337.10715	7.1
347.09155	2.8
349.07211	1.1
351.08658	46.4
352.09515	0.8
361.15833	0.7
363.08621	10.6
365.10123	1.8
375.08640	11.0
381.09756	21.2
385.32724	0.8
393.04706	1.5
393.09689	21.9
411.10791	17.8
429.11847	28.3
447.12970	13.7
456.26709	0.7
579.23987	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1715
Annotation	Isoswertisin 2''-O-xyloside
Peak:m/z	Relative Intensity
50.47018	0.6
53.03949	0.8
55.01872	1.5
57.03443	4.3
58.19661	0.6
60.04565	0.6
61.02934	0.9
67.05504	1.7
69.03432	9.8
70.06603	1.0
70.56064	1.4
73.02911	1.0
73.51131	0.6
74.25493	0.7
79.01865	3.2
79.05505	1.5
80.24273	0.7
81.03423	2.9
81.07051	2.1
83.08604	0.8
84.08158	3.2
85.02913	8.5
86.09715	1.0
87.04465	3.3
91.05488	1.9
93.07066	1.2
95.04964	1.1
95.08614	1.6
97.02893	5.2
103.05546	0.7
105.03407	0.7
105.07024	2.1
107.04984	1.5
107.08579	0.7
109.02872	2.1
109.06538	0.7
115.03944	3.4
119.04963	1.3
119.08530	1.0
121.02824	1.0
121.06554	1.8
123.04474	1.7
124.04022	1.3
127.03912	1.7
131.04924	1.4
133.04961	1.2
133.06506	1.4
133.10146	0.9
135.04440	1.5
137.06000	3.9
145.06375	0.9
147.04422	2.1
148.05104	1.0
149.02303	0.8
149.05965	0.8
150.98840	0.6
151.03860	0.8
151.07553	0.9
157.84225	0.6
159.04436	1.1
159.07951	0.9
161.05959	1.2
162.73787	0.6
163.03940	1.5
165.01895	1.9
166.02612	0.8
167.03404	0.8
167.07091	4.1
167.08243	0.6
171.07961	0.9
173.02502	1.1
173.06017	0.9
175.07620	0.8
177.01904	1.0
177.05510	1.1
181.04982	2.1
187.03790	1.0
190.02675	0.8
191.03397	1.7
191.07069	2.6
205.04768	0.7
207.06523	0.9
210.06723	0.7
217.04933	0.7
227.07013	1.4
239.07190	1.0
241.08624	2.4
243.02893	1.6
253.08659	1.9
255.06563	1.9
256.07346	0.9
257.08093	2.4
261.03989	1.7
265.05130	1.1
265.08630	0.7
266.05856	0.9
267.06540	7.7
269.08084	2.4
270.08893	3.8
273.07516	2.1
277.08698	0.8
280.07373	1.2
281.08151	1.8
282.05261	0.9
283.06079	4.8
284.06860	1.2
285.07611	6.6
291.06702	0.8
294.08835	1.1
295.06247	1.2
295.09778	1.1
297.07590	60.7
298.08374	11.3
299.09183	1.3
303.08911	0.7
307.06100	1.5
308.06839	2.0
309.07574	13.8
311.09128	6.1
312.06201	0.9
316.05914	0.8
319.09567	1.1
321.07596	2.6
322.08374	2.1
323.09201	4.7
325.06989	3.4
326.17017	0.7
327.08649	100.0
328.09351	1.0
331.08112	1.9
335.09039	1.1
337.07016	2.7
337.10736	12.4
339.08542	2.1
347.09357	1.3
351.08624	27.2
357.09738	2.1
363.08615	2.9
365.10303	6.1
369.09796	1.5
375.08566	1.4
381.09689	13.2
393.09634	8.7
399.32492	0.8
403.15979	1.5
411.10724	17.5
417.11621	1.6
429.11887	33.0
447.12906	84.3
448.13504	0.9
454.08429	0.7
475.09799	0.8
547.19501	2.6
579.15808	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	579.1709
Annotation	Swertisin 2''-O-xyloside
Peak:m/z	Relative Intensity
52.24642	2.1
57.03432	2.6
61.02905	2.1
63.46931	2.2
65.03927	2.4
69.03083	2.8
69.03433	43.7
69.88463	4.4
69.88837	3.4
70.38316	1.9
71.41635	1.8
77.87611	1.9
80.05789	2.0
82.84355	2.2
85.02910	2.9
103.03937	2.9
105.03394	4.0
119.04958	5.5
121.02876	37.7
128.73265	2.2
133.06454	2.3
135.04375	3.2
145.02826	8.8
156.26700	2.4
161.02371	2.5
162.09924	2.1
163.03914	4.4
173.02348	2.3
177.01816	4.9
187.03896	2.4
189.01865	7.5
191.03384	7.5
195.02895	6.5
201.01846	3.9
203.03406	10.6
207.02853	5.9
213.05469	4.0
215.03430	4.1
217.05023	2.6
219.02939	10.1
225.05579	2.8
229.04935	4.8
239.03406	2.4
241.04971	3.2
243.06459	2.6
257.04416	3.8
267.06744	3.7
268.07410	3.1
269.04327	5.4
271.06049	3.2
279.06522	7.6
281.08090	9.0
283.06042	6.7
291.06491	5.7
293.08023	3.2
294.05261	33.7
295.06024	48.5
295.09323	2.4
296.06656	7.0
297.07407	8.3
305.07944	5.0
306.08752	3.6
307.06003	54.3
308.06796	19.1
309.07553	22.9
313.07120	7.3
313.68875	2.4
317.08139	2.4
319.06104	10.6
319.09442	3.0
321.07648	29.1
322.08209	10.3
323.05463	3.2
323.09045	5.3
325.07062	50.4
331.09653	4.5
333.07477	12.0
334.08331	6.6
335.08966	14.0
336.06296	4.1
337.07077	93.3
338.07214	2.4
339.08435	4.0
343.09628	8.6
345.07593	6.0
347.09222	12.8
349.07022	29.6
349.10910	5.1
351.08710	34.2
353.06302	3.3
355.08124	22.2
359.09265	13.7
361.07016	11.2
363.08643	22.7
365.06537	4.7
367.08041	6.2
369.07748	3.5
375.08670	33.8
377.10162	17.2
379.08145	74.0
381.09842	3.5
387.08606	24.1
389.10034	6.7
391.08163	13.5
393.09561	11.8
401.10114	4.5
403.08148	6.9
405.09705	74.8
409.09128	6.1
411.10056	2.6
417.09521	5.4
421.09229	7.6
423.10764	97.7
427.10419	14.9
429.09607	14.4
435.10526	3.7
439.10431	5.7
441.11731	54.4
443.11005	3.5
447.10757	15.0
457.11459	21.7
459.11316	6.8
463.10242	5.3
465.11539	2.7
471.10526	6.5
475.12399	15.6
477.11664	4.6
481.04987	3.5
481.11362	36.6
489.11948	10.8
499.12408	26.4
507.12924	25.5
525.13898	100.0
543.14990	39.3
561.15723	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	579.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91496	2.5
54.12175	2.0
54.26546	2.0
54.26964	2.5
61.02921	2.9
69.03444	15.1
69.23626	23.5
69.23958	3.8
70.50893	2.3
76.16279	2.3
85.02903	4.5
119.04942	8.1
119.35498	2.6
121.02885	33.3
145.02832	3.2
163.03899	3.2
177.01909	3.7
187.72400	2.5
189.01817	10.3
191.03535	4.7
195.02908	4.4
203.03340	12.2
207.02895	7.5
215.03426	2.8
219.02921	5.1
229.04988	4.8
229.98158	2.6
231.71999	2.2
239.03465	2.7
251.06963	2.9
255.02959	3.3
268.07324	3.2
279.06567	4.5
280.07336	3.3
281.08170	3.8
283.06064	5.9
285.03955	3.9
293.08041	2.9
294.05258	26.7
295.06042	61.0
295.09351	3.4
296.06595	9.5
297.07458	11.2
301.19101	2.7
307.06024	47.9
308.06732	20.9
309.04205	3.1
309.07355	17.4
313.07083	5.0
319.05923	6.8
320.06503	4.2
321.07574	31.6
322.08423	14.5
323.05432	3.6
323.08932	5.0
325.07095	100.0
327.07571	3.9
331.09598	4.8
333.07465	8.3
335.05438	6.3
335.09155	9.4
336.06247	5.2
337.07031	62.1
337.10770	2.6
339.08545	2.9
347.05411	2.7
347.09140	10.6
349.06982	35.8
351.08661	24.6
355.08096	17.4
361.07269	11.9
363.08426	6.4
365.10260	14.5
367.08102	5.8
373.07016	4.6
374.08093	3.5
375.08624	27.1
377.10397	4.5
379.08163	53.1
381.09592	2.7
385.07065	3.0
391.07861	13.2
393.09702	36.4
401.10486	3.0
403.08167	27.0
405.09695	11.8
409.09247	28.5
411.10757	43.1
421.09235	32.7
423.10397	7.7
429.11578	9.8
433.08807	3.2
439.10309	32.4
441.11710	21.5
447.10703	11.3
457.11374	51.0
459.12885	24.0
465.11969	30.8
471.10684	7.1
477.11526	4.7
483.12869	32.2
489.11703	7.5
495.13019	25.2
507.12878	25.8
513.13837	14.8
525.13953	30.4
543.14929	29.7
561.16010	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	579.1504
Annotation	Procyanidin B4
Peak:m/z	Relative Intensity
51.02377	1.3
53.03941	1.7
55.01874	2.8
65.03942	2.0
68.99792	7.2
69.81036	1.7
69.81379	4.6
71.44316	0.9
81.03419	2.6
95.04985	2.9
99.04491	1.2
105.03382	1.3
107.04994	5.3
109.02888	3.7
111.00819	3.5
111.04443	3.3
117.03391	2.0
119.04962	2.9
121.02882	1.6
123.04443	68.8
127.03931	100.0
131.04929	1.9
135.03401	1.8
135.04433	29.4
137.02359	7.8
139.03915	68.8
143.04906	1.0
147.04440	11.3
149.02344	5.4
149.05968	1.9
151.03929	15.2
155.04869	1.2
157.06570	1.2
159.04431	3.6
161.05977	4.1
163.03923	39.5
165.05479	8.6
167.03426	10.4
169.06474	2.4
173.05998	3.1
175.03969	5.3
176.04837	1.0
177.05466	5.9
179.03427	3.0
181.04901	1.3
183.04465	1.2
183.54027	0.9
185.06010	2.4
187.03918	6.1
188.33617	0.9
189.05495	3.7
191.03421	15.7
193.04990	7.4
197.06012	3.0
199.07643	1.2
201.05482	8.0
203.03435	13.9
203.06976	2.6
205.04985	3.8
207.06491	1.5
213.05437	2.0
215.03419	2.7
215.06998	2.4
217.05031	2.5
225.05580	2.0
229.05000	11.4
231.06613	3.1
233.04514	9.1
241.05038	2.1
243.06563	4.7
245.04478	10.6
247.06064	26.9
249.07831	1.1
251.05424	1.6
255.06566	2.8
257.04465	16.0
258.05249	1.1
259.06046	15.8
269.04495	3.8
271.06082	18.7
273.07486	1.5
275.05569	25.1
283.05991	9.9
287.05533	31.6
289.07086	10.7
291.08649	10.0
297.07684	1.0
299.05551	6.3
301.07092	20.4
303.08630	4.2
311.05499	1.1
391.08365	1.4
409.09238	32.6
410.09512	1.6
411.10620	2.3
421.09348	2.0
427.10333	7.5
435.10822	1.8
439.10132	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07200	2.7
56.39335	3.2
61.34735	2.9
69.03436	20.0
69.56938	20.2
73.86651	3.0
84.17145	3.2
85.02920	5.9
98.20744	4.2
107.04965	5.3
119.04942	10.3
121.02881	42.9
135.04379	3.3
145.02838	5.5
147.04337	3.3
170.51100	3.5
177.01921	3.6
179.03345	4.5
189.01758	15.8
191.03363	7.8
195.02914	4.0
201.01735	4.0
203.03398	15.2
207.02948	9.2
213.05472	3.7
219.02882	3.4
221.04306	5.2
229.04997	6.2
231.06488	4.8
233.04353	3.7
257.04440	5.3
267.06577	4.0
268.07300	7.7
277.54407	3.9
279.06537	6.0
283.05988	10.0
293.07916	4.8
294.05246	26.8
295.06021	77.9
295.09280	3.3
296.06683	14.0
297.07425	11.0
299.71686	3.5
305.08038	4.5
307.06046	55.0
308.06790	18.2
309.07632	15.5
313.07086	5.2
319.06036	7.4
319.09396	5.3
320.06958	4.4
321.07614	54.2
322.08337	13.7
323.09055	10.3
325.07074	100.0
326.07452	3.6
331.09732	5.0
333.07587	10.6
335.09183	15.4
336.06180	7.0
336.09885	3.7
337.03241	4.4
337.07047	56.8
339.08087	5.4
345.07553	5.0
347.09274	17.5
349.07104	59.3
350.07727	4.8
351.08594	25.5
355.08084	12.6
361.07043	13.7
363.08542	10.4
365.10220	9.8
367.07941	8.6
373.07138	9.2
375.04630	4.0
375.08701	32.1
377.09982	7.3
379.08179	49.5
385.06934	3.8
389.10300	4.5
391.08044	21.2
393.09790	42.2
401.10599	4.3
403.08212	20.3
405.09589	18.7
409.09210	31.2
411.10883	50.2
421.09167	21.3
423.10925	15.5
429.11823	22.3
433.08942	4.4
439.10153	23.1
441.11841	28.1
445.09332	5.0
447.10867	18.2
457.11475	44.3
459.12854	25.2
463.10406	4.7
465.12003	35.5
471.10849	11.1
477.12097	5.6
481.11093	3.6
483.12897	48.0
489.11835	12.1
495.12799	26.6
504.43680	3.3
507.12827	45.7
513.13922	21.3
525.13983	57.5
543.14868	46.3
561.15991	22.3
579.17761	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	579.1504
Annotation	Procyanidin B4
Peak:m/z	Relative Intensity
53.03956	1.6
55.01875	1.6
62.12555	1.0
65.03957	1.7
67.05524	1.0
68.99783	5.2
69.23192	10.8
70.30989	1.0
73.73298	1.0
79.85502	0.9
80.64428	0.9
81.03395	2.5
85.21707	0.8
89.03909	1.3
91.05511	2.2
95.04969	1.7
98.21480	1.8
98.97592	1.4
107.04957	5.0
109.02885	3.6
110.62087	1.0
111.00838	3.1
111.04448	3.3
117.03384	1.3
119.04965	4.3
121.02875	1.9
123.04435	53.2
127.03924	100.0
131.04848	2.2
135.04424	31.2
137.02354	6.9
139.03909	54.2
145.02853	2.1
145.06474	1.2
147.04422	12.4
149.02351	5.5
149.05983	2.5
151.03923	15.3
151.75468	0.9
151.87022	1.0
153.01759	1.0
155.04910	1.6
157.06413	1.4
159.04427	3.5
161.05991	3.4
163.03915	42.5
164.04312	1.2
165.05508	5.6
167.03392	8.9
169.06483	2.3
173.06046	3.4
175.03911	4.6
177.05489	3.6
179.03383	3.9
181.04988	1.3
181.06419	1.4
185.05885	1.9
187.03896	3.7
189.05457	2.6
191.03415	14.7
193.04987	5.0
197.05978	4.8
199.62505	1.2
200.16963	1.3
201.05469	7.7
203.03404	11.7
203.07033	1.6
205.05005	3.6
207.06609	1.4
213.05504	1.6
215.03374	2.6
215.07031	2.4
217.04953	1.7
225.05475	1.2
229.04979	10.2
231.06581	1.1
233.04468	7.7
236.00912	1.1
237.02487	0.9
241.00078	1.1
241.04900	2.4
243.06555	4.7
245.04407	10.0
247.06062	21.8
253.04922	1.7
255.06566	2.8
257.04449	14.4
259.05991	13.6
261.07742	1.3
269.04498	2.0
271.06036	19.9
273.07550	1.8
275.05490	21.5
283.05969	9.5
285.07663	1.3
287.02634	2.2
287.05542	27.5
289.07092	13.1
291.08591	9.5
299.05478	4.9
301.07080	18.5
303.08698	4.0
409.09207	30.9
411.10825	1.6
421.09424	2.0
427.10132	7.3
439.10336	3.0
532.47949	1.1
579.15295	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01867	4.1
55.05512	19.8
57.03431	10.8
57.07076	3.2
67.05182	3.5
67.05514	57.3
69.07075	15.1
71.04999	3.9
73.02908	2.9
79.05499	52.6
81.07064	51.9
82.23116	2.6
83.04980	7.1
83.08614	11.0
91.05486	20.6
93.07058	60.4
95.04967	8.4
95.08616	72.4
97.02920	4.4
97.06509	8.3
99.04475	4.0
105.07055	14.1
107.04964	9.0
107.08607	37.8
109.06548	5.4
109.10139	10.8
117.07014	11.4
119.08620	19.0
121.06544	3.3
121.10168	23.7
123.11655	3.0
125.05931	3.6
131.08578	2.8
131.35789	2.4
133.10139	7.4
135.08072	4.0
135.10696	3.6
135.11697	63.8
139.07564	2.5
143.08580	2.6
145.10130	33.1
147.11674	3.3
155.08601	2.6
163.11194	63.7
171.93462	2.5
173.13293	3.2
181.12274	8.8
198.27039	2.6
218.01071	2.3
227.12796	99.8
261.22125	6.1
268.90091	2.2
272.95844	2.9
280.78427	2.4
283.15399	68.2
290.46768	2.2
335.25830	100.0
358.05438	2.7
458.31827	3.2
543.36884	59.7
574.00739	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	579.1502
Annotation	Procyanidin B5
Peak:m/z	Relative Intensity
55.01869	2.2
67.05531	0.8
68.99818	5.0
70.93883	1.0
70.94211	1.9
79.05491	0.9
81.03423	2.4
89.03933	1.0
95.04979	1.8
99.04452	1.6
105.03389	1.0
107.04958	3.4
109.02885	3.4
111.00787	2.0
111.04451	2.3
113.98566	0.7
117.03414	1.0
119.04967	1.5
121.02882	1.8
123.04444	41.6
127.03931	100.0
128.04286	1.2
131.04927	2.2
135.04436	27.8
137.02344	3.5
139.03915	49.2
147.04404	6.1
149.02383	5.2
149.06001	2.4
151.03920	8.8
155.04955	0.8
159.04436	3.3
161.05995	3.3
163.03931	39.7
165.05499	6.6
167.03410	7.3
169.06488	1.6
173.05997	4.2
175.03937	3.7
177.05470	3.1
179.03456	3.2
181.04942	1.3
185.05980	1.0
187.03856	6.3
187.07466	1.0
189.05457	2.6
191.03424	11.4
193.04985	3.0
197.06001	3.5
201.05510	7.8
203.03418	7.8
203.07053	1.8
205.05017	4.1
213.05609	1.9
215.03407	1.3
215.07114	2.4
217.04929	2.1
225.05453	1.8
229.04996	6.9
231.06610	2.2
233.04538	6.6
241.04893	1.1
243.06665	4.7
245.04457	9.0
247.06046	15.2
255.06517	1.7
257.04480	10.1
259.06079	7.8
269.04523	1.5
271.06021	17.7
273.07535	1.0
275.05508	15.0
283.06110	5.8
287.05536	20.4
289.07108	11.2
291.08694	9.8
299.05591	2.8
301.07138	12.4
303.08701	1.7
304.43045	0.8
391.08167	1.0
399.91281	0.8
409.09189	23.2
411.10736	3.0
421.08850	1.3
427.10397	4.0
435.10971	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.2
55.01871	3.2
55.05515	10.0
57.03447	7.0
58.31885	1.3
65.03935	1.6
67.05175	2.5
67.05510	31.3
69.07066	11.5
69.18960	7.6
69.19389	7.1
71.04984	1.6
79.05501	25.8
81.07063	31.1
83.04975	2.9
83.08624	8.8
86.93017	1.4
91.05486	11.8
93.06477	2.6
93.07056	36.1
95.04980	4.9
95.08614	37.3
97.02888	1.5
97.06541	3.5
98.20784	3.3
105.07041	8.4
107.04967	4.3
107.08607	19.9
109.10192	8.2
117.07027	5.3
119.08604	7.9
121.06527	3.4
121.10131	15.4
123.11707	2.6
131.08569	3.9
133.10146	4.9
135.11697	27.0
145.10149	17.5
147.11636	2.9
149.13255	3.3
159.11731	1.5
161.13286	1.9
163.11205	28.1
181.12296	4.4
225.30373	1.4
227.12808	55.2
261.22153	5.9
283.15414	37.3
335.25827	100.0
338.28354	1.4
543.36835	50.8
544.37103	1.5
582.37762	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01864	1.7
55.05514	0.9
57.03423	2.4
57.07060	1.0
58.99574	1.5
59.69321	0.5
61.02915	1.0
67.05518	1.2
68.99789	0.7
69.03433	39.6
69.07054	2.4
70.03750	0.5
70.16946	2.2
70.64089	0.5
71.04970	1.9
73.02905	1.3
76.02233	3.6
79.05477	2.0
81.03426	5.7
81.07063	3.3
83.04974	2.1
83.08622	0.7
85.02428	0.8
85.02908	11.5
85.06551	1.3
86.61770	0.5
86.99075	0.8
87.00828	4.4
91.05487	2.0
93.07053	3.5
95.04960	0.7
95.08608	5.7
97.02402	0.4
97.02917	4.0
97.06520	2.0
98.20790	0.9
99.04453	1.4
99.75574	0.6
100.02233	0.9
103.03931	0.7
105.00080	0.9
105.01862	3.1
105.07010	3.7
107.04964	1.0
107.08598	9.1
109.02892	5.0
109.06519	3.9
109.10128	1.5
111.08086	2.3
113.21519	0.5
117.01834	0.7
119.04928	2.4
119.08579	2.8
121.02869	10.3
121.06509	1.8
121.10155	9.1
122.02628	8.9
123.08056	1.9
123.11717	5.8
125.09634	13.5
127.03925	6.4
129.01883	0.8
131.08528	4.2
133.10141	3.5
135.08063	8.8
135.11679	4.1
143.08495	0.7
145.04988	2.9
145.10161	2.0
147.11702	2.6
149.09613	6.4
149.13268	2.9
151.11145	0.9
153.09120	3.7
158.10912	2.5
159.02893	2.0
159.04312	0.5
163.03870	0.6
163.11179	2.1
163.14833	4.3
164.03886	0.6
165.12729	1.5
167.10701	1.2
171.04355	0.6
173.13289	16.1
177.01831	0.9
178.02081	0.6
179.03329	0.7
189.01837	1.5
190.02295	1.3
191.03474	1.0
191.14314	64.0
195.02821	1.2
196.03281	0.6
200.04247	0.9
201.05452	1.1
203.03371	3.1
204.03754	2.6
205.04955	0.9
207.02888	1.5
208.03311	0.9
209.15376	100.0
210.15662	1.0
216.03827	0.7
217.04865	0.8
218.05417	0.8
221.04425	0.9
223.11530	2.7
227.03171	0.7
229.04829	1.3
230.05351	0.8
231.05025	2.3
233.04396	0.8
241.12730	2.6
255.02869	0.7
256.03299	0.8
268.07047	1.4
269.07620	0.6
271.06253	0.6
273.03738	0.6
280.06931	1.5
281.04449	0.6
281.07797	1.0
283.06091	1.8
283.93423	0.7
284.06400	1.8
292.07117	0.6
293.08038	0.8
294.05267	0.8
294.08475	1.7
295.06012	14.0
295.09305	1.3
296.06393	20.6
297.07153	2.5
298.08002	1.3
307.06088	6.8
308.06445	12.8
309.07233	6.0
310.04721	0.6
310.07840	2.6
321.07483	5.0
322.04422	0.8
322.08032	12.0
323.05359	0.9
323.08786	5.0
324.05945	1.0
324.09427	1.2
325.07056	10.6
326.07416	21.3
326.11313	1.1
330.08304	0.6
330.17358	4.0
332.06140	0.8
333.07559	1.5
334.07932	3.0
335.09067	1.8
336.06070	1.3
336.09485	5.2
337.06833	3.4
337.10266	0.6
338.07425	7.0
346.07867	1.9
347.08987	1.6
348.09485	4.2
349.07028	3.8
350.07480	11.8
351.08563	3.2
352.09006	10.0
358.07840	0.8
361.07080	2.4
362.07404	5.7
362.11188	1.1
364.08945	2.2
365.10199	1.5
366.10596	2.7
368.08603	0.7
370.08151	0.8
374.07324	2.0
375.08563	1.8
376.05154	0.7
376.09039	4.9
379.08136	5.6
380.08463	21.0
382.10223	0.7
386.07642	1.8
388.08926	1.4
390.10669	1.4
391.08084	1.7
392.08441	8.9
403.08014	2.2
404.08472	8.5
406.10080	1.0
409.09274	3.0
410.09503	11.1
416.08664	1.1
418.10043	1.5
421.09229	1.4
422.09543	7.7
427.10275	3.1
428.10684	13.7
434.09598	1.6
439.10190	1.3
440.10605	8.0
446.10379	2.4
457.11310	4.0
458.11673	22.8
464.10861	3.1
470.09830	0.7
476.10739	0.7
481.11090	1.5
482.11664	15.2
488.10797	1.3
494.11398	2.1
499.12140	0.8
500.12698	8.4
506.11789	3.0
512.12726	9.9
524.05573	0.4
524.12689	11.5
530.13837	2.9
542.13806	11.5
560.14746	10.3
578.15704	4.5
578.23407	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
55.01868	2.4
55.05510	1.7
57.03434	2.7
57.07074	0.8
58.99573	0.9
61.02917	2.6
65.03951	1.5
67.05506	2.6
68.99792	1.5
69.03437	48.6
69.07079	3.8
70.06578	1.1
71.04993	1.8
71.55816	1.9
73.02910	1.7
76.02248	4.1
79.05483	3.3
81.03426	6.8
81.07053	3.7
83.04977	3.1
85.02424	1.3
85.02910	16.8
85.06554	1.6
87.00838	4.6
91.05474	1.4
93.07072	3.7
95.04987	0.9
95.08617	7.3
97.02891	5.5
97.06547	2.6
98.97557	0.9
99.04469	1.9
105.00085	1.2
105.01884	1.6
105.07040	5.9
107.04971	2.5
107.08609	11.1
109.02888	5.0
109.06532	4.5
109.10162	2.0
111.08086	2.5
116.50917	0.8
117.68304	0.7
119.04954	3.5
119.08612	4.0
120.05264	1.1
121.02884	15.4
121.06490	1.9
121.10152	11.2
122.02647	11.3
123.04422	1.9
123.08079	2.7
123.11727	6.8
125.09643	14.4
127.03941	8.6
131.04942	1.2
131.08560	4.3
133.10115	4.6
135.04445	1.3
135.08057	10.5
135.11699	4.8
139.03888	1.0
145.02817	2.0
145.04973	2.2
145.10095	2.7
147.04413	1.8
147.11691	3.5
149.09642	7.7
149.13246	2.8
151.11171	1.7
153.09120	4.4
158.10942	2.7
159.02946	1.9
159.04341	0.7
163.03902	1.3
163.11165	2.3
163.14841	4.6
165.12737	2.4
167.10733	0.8
173.13287	20.9
175.03828	1.0
176.11995	1.1
177.01837	2.2
179.03427	0.8
189.01860	3.4
190.02219	2.0
191.03458	1.2
191.14328	69.5
195.02879	3.0
196.03311	0.9
197.09998	0.9
200.04326	0.8
201.05516	1.2
203.03419	5.7
203.95467	0.9
204.03763	5.1
205.04968	0.9
207.02890	1.9
208.03236	1.3
209.15387	100.0
210.15730	1.1
211.03854	0.9
212.03984	1.2
215.03357	1.6
217.04996	2.0
218.05293	1.6
220.41183	0.8
221.04445	1.6
222.04813	1.0
223.11624	3.7
229.04955	2.9
230.05286	2.1
231.04933	1.6
233.04579	1.6
241.12569	3.0
243.06548	0.8
244.03345	1.1
251.07193	1.0
255.02887	1.4
256.03183	1.2
257.04300	1.1
268.07126	1.7
269.04800	0.8
269.07462	1.2
279.06607	1.2
280.06821	1.6
281.07690	1.3
283.06049	2.9
284.06372	3.0
287.05240	1.0
293.08020	2.4
294.05219	1.4
294.08444	2.7
295.06021	22.1
295.09308	1.4
296.06400	38.4
296.09595	1.4
297.07330	4.6
298.07965	2.8
302.07089	0.8
305.07974	0.9
307.06012	9.5
308.06451	17.1
309.07233	10.5
310.04703	1.1
310.07907	4.5
314.07492	1.0
318.08365	1.9
319.09409	1.2
320.06479	1.2
321.07501	9.7
322.04398	1.5
322.08008	20.2
323.05365	1.6
323.08792	7.9
324.05780	2.0
324.09476	3.4
325.07123	18.2
326.07425	35.4
326.11304	1.8
330.08356	1.1
330.17255	5.4
332.10037	1.3
333.07446	2.2
334.07974	6.6
335.09070	4.0
336.05966	1.3
336.09482	9.7
337.06903	7.3
337.10269	1.0
338.07449	9.3
339.08322	1.0
339.18628	1.0
340.08942	1.0
345.07355	1.2
346.07980	1.7
347.08978	2.4
348.09512	6.0
349.07077	6.5
350.07437	18.5
351.08591	7.7
352.05130	1.0
352.08966	15.8
357.07526	0.9
361.06952	3.0
362.07343	12.8
362.11209	2.6
363.08694	1.3
364.09042	3.7
365.10056	1.0
366.10629	5.4
367.07925	1.1
368.08505	1.5
374.07413	3.3
375.08371	3.0
376.08987	6.8
379.08197	12.2
380.08499	33.4
386.07382	2.6
388.09207	2.0
390.10611	2.7
391.08008	4.1
392.08456	13.0
394.09915	1.0
400.09067	1.3
402.10712	1.8
403.08127	3.4
404.08545	14.5
409.09204	5.6
410.09540	21.7
414.10443	1.2
416.08984	2.8
418.09988	1.6
421.09274	2.4
422.09567	11.7
427.10214	6.6
428.10696	23.8
430.10422	1.1
432.11545	1.3
434.09512	3.0
436.10776	1.0
439.10107	1.9
440.10663	15.5
446.09985	4.3
457.11276	7.7
458.11719	40.1
464.10501	5.7
470.09314	1.0
476.10559	2.3
481.11081	2.2
482.11703	25.0
488.10681	2.7
494.11411	3.4
500.12772	16.0
506.11652	5.3
512.05750	1.4
512.12787	15.9
524.12793	16.7
530.13806	4.1
542.13776	20.2
560.14868	17.1
578.15485	8.3
578.22839	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.01877	5.3
55.05516	33.7
57.03429	9.9
57.07071	3.8
59.05012	3.5
64.84302	3.2
65.03956	3.6
67.05177	5.7
67.05508	82.1
69.07069	21.8
71.04984	11.3
79.05064	4.8
79.05495	64.7
81.03414	24.3
81.07063	100.0
83.04961	8.5
83.08639	24.0
85.06538	6.8
91.05486	50.9
93.07048	57.2
95.04969	17.4
95.08617	65.0
97.06539	11.1
97.10162	20.0
105.07030	59.2
107.04990	3.6
107.08599	39.4
109.06551	4.1
109.10163	34.9
117.07007	20.8
119.08578	43.0
121.06489	4.8
121.10172	26.0
123.08096	5.8
123.11730	11.3
125.09636	15.1
129.07011	10.9
131.08556	37.6
133.10121	27.5
135.08098	5.1
135.11690	17.4
137.09669	4.1
143.08586	15.4
145.10150	25.2
147.08020	4.8
147.11708	18.7
149.09645	7.8
149.13237	11.5
151.11223	3.7
155.08585	6.2
157.10117	18.3
159.11726	23.9
161.09639	3.4
161.13252	10.1
163.11238	3.2
169.10129	9.0
171.11678	10.7
173.11868	3.7
173.13242	15.7
175.11235	6.7
175.14862	8.2
177.12743	4.0
181.10197	3.7
183.11768	9.3
185.13281	8.3
185.66992	3.8
187.14781	4.6
189.11263	8.5
193.12245	10.1
197.13271	6.1
199.14864	7.7
211.14937	6.4
227.12801	11.1
259.20502	4.2
261.14877	3.4
261.22198	11.2
267.15936	23.6
271.20575	4.5
285.22211	7.6
301.25320	11.8
309.22076	3.5
335.25864	23.3
359.25861	3.3
361.27509	4.9
363.25443	7.2
417.31277	4.1
433.47919	3.7
435.32782	18.5
452.14462	3.3
453.33630	13.5
471.34726	10.2
485.37112	4.3
501.35730	3.7
509.36380	3.3
527.37372	53.0
545.38446	41.3
559.39880	12.4
565.39899	4.2
577.41766	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	577.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60846	3.2
53.03944	9.0
53.29318	3.5
53.49149	3.5
54.23591	2.9
55.01864	8.6
55.05508	40.5
57.03431	13.4
57.07061	5.2
59.05000	4.5
65.03936	5.8
67.05510	97.5
68.54169	3.5
69.03413	5.1
69.07069	32.9
71.04990	13.1
79.05497	64.6
80.68228	3.4
81.03414	19.1
81.07059	100.0
83.04977	9.2
83.08616	25.8
85.06538	10.9
91.05489	57.0
93.06470	5.5
93.07050	73.5
95.04962	16.2
95.08608	69.4
97.06528	11.6
97.10184	22.6
98.20730	7.6
105.07041	58.2
106.43311	3.5
107.08602	43.4
109.06535	4.6
109.10168	34.9
111.08103	7.1
115.05438	6.4
117.07035	25.4
119.08595	50.1
121.06458	5.5
121.10146	34.2
123.08053	8.1
123.11710	14.5
125.09627	15.4
128.06290	4.2
129.07013	15.9
131.08565	31.5
133.10133	36.7
135.08099	6.2
135.11723	20.5
137.09613	7.4
137.13232	4.7
142.07848	3.6
143.08580	14.2
145.10126	25.7
147.11711	30.2
149.09630	8.1
149.13274	11.6
155.08530	6.4
157.10103	18.2
159.11697	21.6
161.13261	13.1
165.12741	5.2
169.10135	10.2
171.11681	14.3
173.13242	19.8
175.14885	5.9
181.10161	4.2
183.11716	9.1
185.13281	15.3
187.14876	8.2
189.11238	10.3
189.16321	4.5
193.12277	10.1
197.13289	7.5
201.16513	4.5
211.13080	3.7
211.14865	4.4
213.16379	3.9
215.17886	3.7
227.12791	14.6
229.53900	5.2
239.16391	4.3
247.16891	3.9
259.20447	3.8
261.22141	12.4
267.15933	27.0
269.22574	3.9
289.21695	5.3
301.25262	10.7
315.22763	3.6
317.24734	3.8
330.42386	3.9
335.26056	24.1
363.25363	8.3
435.32687	19.0
453.33536	15.8
471.34500	10.0
509.36560	8.6
527.29968	6.7
527.37347	65.2
545.38391	60.2
555.63733	3.8
559.39642	11.5
574.77521	4.2
577.40527	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	577.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48078	1.9
55.20789	1.5
56.96566	3.9
71.54107	2.3
89.03925	2.5
91.05482	3.1
94.63013	1.5
98.97582	5.1
113.11120	1.7
116.98657	3.6
117.07036	1.9
118.06559	23.9
119.04917	1.7
121.02835	2.3
123.04462	9.1
127.03955	2.9
130.06532	2.2
132.08078	3.8
135.04404	4.5
139.03941	10.0
143.07361	3.0
144.08109	12.9
145.02863	4.9
146.04846	2.2
146.06021	62.7
147.04408	5.5
159.09215	7.1
163.03938	8.4
170.06062	4.5
177.05554	6.2
188.07088	100.0
188.37469	1.5
189.07402	1.8
205.09744	39.2
219.01776	2.2
237.02951	3.9
247.06050	2.0
271.06018	3.0
277.47263	1.6
287.05521	1.9
295.06195	1.8
299.05771	2.1
351.08783	2.1
371.06595	2.3
386.30777	1.8
389.07336	2.8
407.07370	1.7
409.09125	3.9
501.13718	2.0
516.85907	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21958	2.2
53.03931	7.0
55.01878	8.8
55.05274	3.2
55.05517	51.8
57.03420	10.5
57.07069	4.1
58.86923	2.2
59.04997	3.6
65.03942	5.4
65.79716	2.4
67.05511	95.8
69.03412	6.5
69.07070	33.5
70.03012	11.1
71.04997	11.1
71.08608	3.5
74.53806	2.0
79.05077	4.3
79.05501	63.1
81.03398	6.7
81.07066	100.0
83.05000	11.4
83.08627	29.3
85.06539	6.7
88.78975	2.6
91.04903	3.2
91.05484	59.3
93.07050	68.3
95.04985	13.6
95.08617	67.1
97.06524	10.0
97.10178	30.6
98.51589	2.3
99.00843	3.1
99.08078	3.9
103.05507	3.6
105.07045	52.2
107.04940	10.7
107.08598	41.8
109.02880	7.6
109.06535	5.7
109.10174	34.1
111.04427	4.7
111.08083	9.2
116.87032	2.5
116.87871	2.3
117.07041	20.6
119.07822	2.3
119.08597	33.8
121.06515	7.8
121.10157	26.7
123.08102	6.6
123.11735	17.1
125.09648	24.1
129.06982	12.6
131.08580	29.7
133.06554	4.0
133.10158	34.5
135.08043	7.8
135.11708	22.2
137.09628	4.5
137.13246	5.3
139.11162	2.3
141.07021	4.7
142.07776	3.0
143.08578	18.8
145.06473	3.8
145.10141	22.8
145.58871	2.4
147.04379	2.6
147.08087	5.5
147.11679	21.6
149.09601	9.4
149.13264	10.7
151.11176	6.8
153.09010	2.7
155.08559	7.4
157.10126	8.3
159.08130	3.2
159.11716	17.6
161.09650	11.0
161.13271	9.7
163.11162	6.5
163.14819	6.7
169.10146	7.8
171.11693	8.6
173.09622	5.6
173.13309	12.6
175.14822	6.5
177.12791	2.7
179.14355	6.3
181.10150	3.4
181.12227	2.8
183.11720	6.5
185.13257	9.0
187.14796	7.9
189.09225	5.1
189.11220	13.3
189.12738	3.3
189.16357	4.1
191.10707	3.6
197.13287	7.4
199.14848	5.8
201.12730	3.6
201.16502	3.2
211.14896	3.9
213.12834	2.3
225.11215	7.4
225.16385	2.7
227.12782	20.5
232.59755	2.6
241.19510	4.7
243.21062	6.3
244.06638	2.5
245.13837	3.1
259.20590	5.1
261.22168	21.6
275.20068	5.8
277.21573	7.1
279.23206	3.3
287.23831	2.9
297.22235	4.2
299.14966	18.8
299.23328	2.6
301.25241	8.2
315.23236	11.6
317.24786	2.4
328.11108	2.5
333.24228	3.6
335.25851	18.9
343.96365	2.8
421.26062	5.9
421.31137	6.7
435.32663	7.0
439.32181	4.2
449.30524	5.9
453.33377	9.0
457.33133	4.2
467.31741	16.2
471.34851	5.3
485.32623	10.5
501.35812	7.1
503.33380	2.8
513.36090	11.7
515.37244	3.8
519.36920	19.7
527.37421	22.6
531.36700	10.6
541.35303	30.5
545.38403	24.1
559.36011	31.2
577.23376	6.0
577.38953	15.5
577.49725	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	577.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72402	1.9
57.03446	3.3
61.02905	1.9
64.42007	2.0
69.02301	1.9
69.20934	22.0
69.21266	3.5
76.35374	1.9
80.70913	1.8
85.02902	4.9
91.05469	2.1
93.03371	3.3
103.03902	3.5
107.04950	4.5
109.02873	2.6
111.04423	2.3
119.04957	9.8
121.02880	38.4
135.04472	2.3
135.72704	2.2
145.02847	4.9
151.43036	2.2
163.03903	3.0
175.03905	3.3
177.01852	4.6
179.03412	6.0
187.03932	3.0
189.01831	13.3
191.03358	5.6
195.02887	8.0
201.05447	2.4
203.03406	14.4
207.02843	6.7
209.26692	2.0
212.36623	1.7
215.03372	2.8
217.05017	5.5
219.02966	4.5
221.04500	3.9
225.04019	2.9
229.04971	6.1
231.02794	2.4
233.04524	2.4
245.04533	3.1
247.02362	2.1
251.07161	2.3
255.02968	2.8
257.04422	3.4
267.06458	2.8
268.07306	8.5
271.05814	2.5
273.04031	2.3
275.05435	3.3
279.06433	4.9
281.08047	4.4
283.06000	14.9
284.06790	2.9
291.06604	2.9
292.07187	3.3
293.08112	6.1
294.05231	15.2
295.06030	95.6
296.06665	10.9
297.07571	18.7
307.06021	65.8
307.09555	4.1
308.06812	23.1
309.07538	23.8
312.06265	3.8
313.07095	9.0
317.08099	2.3
319.05991	6.8
320.06799	9.7
321.07584	46.4
322.08383	7.3
323.05402	7.2
323.09183	9.7
325.07092	100.0
326.07898	4.0
329.07788	2.3
333.07590	8.3
335.05371	6.6
335.09155	19.9
336.06348	12.4
337.03186	3.7
337.07080	55.1
339.08624	9.3
345.07584	4.4
347.05573	4.3
347.09183	16.4
349.07098	45.6
349.10394	1.8
350.07703	4.7
351.08688	25.0
353.06534	8.8
355.08081	5.0
359.09122	2.2
361.07013	14.6
363.08649	19.4
365.06549	10.1
365.10431	14.1
367.08136	7.3
373.07101	5.8
375.08810	21.9
377.06546	6.8
379.08209	30.9
387.08334	2.4
389.10529	4.2
391.08215	38.6
393.09784	20.2
395.07547	4.9
397.09061	2.9
403.08011	20.7
405.09723	3.6
409.09213	25.4
417.09546	7.7
421.03754	4.1
421.09238	59.7
423.10770	2.5
427.10300	26.5
439.10272	99.2
445.09302	4.0
451.09970	2.7
457.11346	30.2
461.08005	2.4
463.10391	10.6
469.11139	3.9
475.10721	5.7
477.11713	4.3
481.11365	16.7
487.10379	3.9
493.11258	5.8
495.12875	8.0
497.10275	2.9
505.11469	13.1
511.12335	3.9
523.12360	29.9
541.13428	42.3
559.14557	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	577.1556
Annotation	Maysin
Peak:m/z	Relative Intensity
55.01859	2.3
57.03432	3.3
61.52210	1.6
65.03912	1.9
66.48146	1.3
69.39774	10.3
69.40183	2.8
81.03403	2.0
85.02888	5.5
87.04448	1.6
91.05465	1.7
93.03403	2.0
98.20730	3.1
106.95238	1.4
107.04967	1.8
109.02882	3.7
116.71457	1.7
119.04949	11.4
121.02866	33.5
127.47755	1.4
131.04869	1.5
139.03900	2.0
145.02827	4.5
150.73749	1.5
151.03780	1.6
161.02406	1.6
163.03934	3.6
165.01778	2.8
167.73553	1.5
172.31389	1.5
175.03963	2.9
177.01872	8.9
179.03410	4.4
187.03969	3.3
189.01823	15.7
190.02530	1.9
191.03389	6.1
195.02910	8.1
199.03906	5.0
201.01804	3.9
203.03423	17.4
207.02878	11.3
217.01433	2.2
217.04956	10.2
219.02847	5.6
221.04401	2.8
227.03287	2.1
229.05020	3.5
231.02925	4.5
239.03360	2.3
243.02921	4.1
255.02892	5.2
255.06593	1.7
267.06488	6.7
268.07294	6.4
279.06451	5.8
281.08118	4.1
283.06009	19.7
284.06619	1.7
292.07352	2.0
293.08035	6.2
294.05331	11.7
294.08398	2.3
295.06021	100.0
296.06775	8.7
297.07559	27.4
307.06015	78.5
308.06732	15.9
309.04120	2.6
309.07526	20.7
312.06296	3.4
313.07053	4.8
317.08005	3.5
319.06085	8.5
320.06717	5.6
321.03802	2.9
321.07578	40.7
322.04965	2.1
322.08374	6.5
323.05453	8.8
323.09122	4.9
324.06226	3.4
325.07062	74.3
326.07809	7.5
333.07648	9.9
334.04584	2.4
335.05441	7.8
335.09113	28.1
336.06345	7.2
337.07022	43.3
339.08725	2.8
345.07544	5.7
347.05524	2.2
347.09232	9.5
349.07098	32.0
349.10880	1.6
350.07779	5.0
351.08658	12.3
353.06729	11.2
354.07526	1.8
355.08099	2.8
360.06335	3.5
361.07132	18.1
362.07706	2.2
363.08664	18.2
365.06534	6.7
365.10516	2.7
367.08151	4.8
373.07239	8.1
374.07672	2.1
375.08807	7.8
377.06430	10.1
378.07260	4.8
379.08105	19.5
385.07010	4.7
387.08389	1.7
389.10400	2.5
390.07443	2.9
391.08121	51.3
392.08633	2.2
393.09421	5.6
395.07556	2.9
403.07965	14.8
403.12323	1.9
407.07452	4.4
409.09189	59.2
410.09183	2.3
419.07526	4.3
421.09140	22.8
427.04929	2.8
427.10312	30.5
427.16031	1.5
433.09140	2.2
435.10812	2.7
437.08463	3.8
438.09131	2.4
439.10284	38.8
445.09021	2.2
457.11298	39.8
459.10535	2.6
463.10123	17.7
475.10239	10.1
477.11841	2.2
481.11322	63.8
487.10181	8.7
493.11371	21.4
505.11276	24.6
511.12436	24.0
523.12415	32.5
541.13391	43.8
559.14581	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	577.1557
Annotation	Cassiaoccidentalin B
Peak:m/z	Relative Intensity
54.72521	2.5
57.03437	3.2
70.68088	5.3
70.68443	3.9
74.49035	2.5
75.23491	2.7
79.62303	2.7
85.02898	5.5
88.72623	2.7
90.15891	2.9
103.09496	3.2
107.04986	3.1
109.02856	3.3
109.19399	2.5
119.04950	10.3
121.02887	30.5
142.44916	2.6
150.69524	2.6
173.02274	3.1
177.01863	8.1
179.03453	4.7
187.03983	3.5
189.01910	9.2
191.03452	7.1
195.02954	7.8
199.65555	2.8
203.03459	15.0
205.01343	9.8
207.02866	9.5
213.01880	4.4
215.03514	3.8
217.01279	2.9
217.05022	6.8
219.02963	5.6
221.04495	4.8
223.02353	3.1
227.03398	5.6
229.05020	6.1
231.02968	3.1
243.02789	3.8
255.02963	6.4
267.06424	4.0
279.06638	8.2
280.07385	3.9
281.08017	3.3
283.05957	16.5
285.03973	2.9
294.05231	15.0
295.06036	100.0
295.09357	5.2
296.06763	8.6
297.07681	9.5
307.06018	36.3
308.06717	15.1
309.03946	9.7
309.07584	25.7
310.04715	15.1
311.05640	8.0
313.07214	7.1
319.06100	7.8
320.07050	3.7
321.07571	27.0
322.04626	4.9
322.08182	4.6
323.05530	80.6
323.08926	3.9
324.06088	6.4
325.07065	52.7
326.07568	4.0
331.06134	4.9
333.07651	7.3
335.05478	15.5
335.09174	24.9
336.06125	6.9
337.07089	39.0
341.06583	8.4
345.07919	4.4
347.05450	5.2
347.09189	9.1
347.13474	3.1
349.07132	31.7
350.07755	3.4
351.04913	7.4
351.08728	13.1
353.02390	3.6
353.06607	49.5
355.08099	4.4
361.07132	18.7
363.08655	27.5
365.06519	21.4
365.10397	4.9
367.08188	4.7
373.07144	7.9
375.04681	5.1
375.08688	12.4
377.06586	23.8
379.08121	16.1
389.06345	4.2
389.10654	4.0
391.08060	28.9
393.09628	7.4
395.07803	3.4
401.06482	7.8
403.08047	10.6
405.09790	4.4
407.07593	40.3
409.09283	38.9
417.09695	4.6
419.07578	17.8
421.09012	17.4
427.10208	38.0
431.07233	5.6
433.09283	3.9
437.08932	17.4
439.10269	32.1
445.09341	5.2
455.09674	6.0
457.11340	55.0
463.10056	13.3
475.10617	4.9
481.11365	97.7
487.10388	6.0
493.11270	16.5
505.11465	22.2
511.12320	32.7
523.12378	38.2
541.13507	66.2
559.14441	21.8
577.15710	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	577.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56726	1.4
55.01872	2.2
56.81270	1.5
57.03435	3.8
58.07308	1.4
61.02938	1.9
69.03431	1.6
70.06580	2.6
71.54902	1.8
79.05520	1.5
84.04500	4.4
85.02895	4.7
86.09702	2.3
88.03994	7.1
93.03400	2.0
98.02478	2.1
107.04977	3.9
109.02898	2.6
111.04461	1.6
115.98111	1.8
119.04952	8.4
119.08611	2.1
121.02870	34.7
123.04395	2.0
130.06517	5.0
131.04968	2.0
133.06122	6.2
135.04408	2.0
136.63716	1.5
139.03819	1.5
145.02878	5.2
146.58974	1.5
147.04463	1.9
148.07547	1.5
149.89470	1.5
157.07640	10.3
158.06021	1.9
159.04428	2.7
159.09174	2.7
161.02457	1.9
163.03925	1.6
165.01904	2.0
175.04012	3.1
175.08690	4.7
176.01053	1.8
177.01871	6.0
179.03368	4.3
185.07178	2.0
187.04041	3.0
189.01810	10.5
190.02583	1.8
191.03427	7.3
195.02863	8.9
201.01875	3.1
203.03441	18.4
207.02957	9.8
217.04900	10.7
219.02936	4.2
221.04494	4.3
227.03302	3.1
229.04968	3.5
231.02876	2.9
243.02878	3.5
244.09317	3.0
245.04575	2.8
247.02853	1.9
255.02859	4.0
257.04398	3.8
267.06433	3.1
268.07401	3.1
279.06561	6.7
281.08090	2.6
283.06003	17.5
284.06766	2.9
291.06470	2.1
292.07181	2.4
293.08109	4.5
294.05267	12.1
295.06030	100.0
296.06732	8.2
297.07571	13.9
298.08340	1.8
307.06036	66.9
307.09454	2.8
308.06760	18.8
309.04123	3.3
309.07523	19.9
312.06384	2.8
313.07013	3.8
316.16663	13.5
317.07913	3.5
319.06326	8.0
319.09518	2.8
320.06641	5.4
321.07620	38.4
322.05106	2.6
322.08325	9.9
323.05447	5.6
323.09186	6.2
324.06262	2.2
325.07092	58.6
333.07431	7.8
335.05411	9.0
335.09167	24.2
336.06201	8.9
337.07092	42.0
337.11111	2.5
339.08853	3.7
345.07648	5.4
347.05515	4.0
347.09198	9.4
349.07086	34.5
349.10547	2.3
350.07764	4.4
351.08682	15.4
353.06436	10.7
355.07513	2.8
360.06033	3.4
361.07001	20.3
361.10620	2.2
363.08633	15.4
365.06512	5.2
365.10278	4.3
367.08078	5.2
373.07138	13.2
374.07944	3.0
375.08655	11.9
377.06372	8.6
379.08252	24.1
380.08557	2.1
385.07108	5.2
387.08511	5.0
389.10434	2.5
390.06937	2.3
391.08157	41.1
392.08524	3.0
393.09683	6.9
395.07263	3.8
403.07977	14.7
405.09573	2.9
407.07321	4.0
409.09219	66.9
415.10092	3.2
417.09778	3.3
419.07513	4.7
421.09177	22.9
427.10461	16.6
433.09149	2.7
435.10693	5.1
437.08722	2.5
439.10349	37.8
445.09106	5.0
455.09320	2.7
457.11371	39.0
463.10162	20.0
475.10315	5.6
481.11386	54.0
487.10217	10.9
493.11383	27.5
494.11374	1.9
499.12057	2.5
505.11224	23.2
511.12488	11.4
523.05450	2.4
523.12445	31.2
529.13214	2.5
541.13550	30.2
559.14734	19.2
577.16772	5.2
578.98523	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70649	2.5
52.12917	1.9
57.03430	3.6
65.03944	2.4
67.49386	2.2
69.36626	13.2
69.37054	7.5
81.03410	3.2
85.02877	2.7
93.03427	2.5
97.02918	3.3
103.03984	3.2
107.05013	2.8
119.04972	14.0
121.02870	44.5
130.55299	2.7
145.02852	6.3
147.04433	3.1
159.04561	2.6
173.34492	2.7
175.03929	3.8
177.01845	7.0
179.03413	8.0
186.77258	2.2
189.01794	15.0
191.03406	6.3
195.02934	9.3
199.17648	2.2
203.03377	21.7
205.05153	2.2
207.02882	7.5
211.03825	3.1
215.03404	3.7
217.05005	11.4
219.02994	4.5
227.03375	2.8
229.05074	5.2
255.02821	4.7
255.06567	2.8
257.04688	2.6
267.06522	4.3
268.07324	9.6
279.06628	8.0
280.07202	2.6
281.08194	3.9
283.05997	14.9
284.06635	3.2
291.06561	3.2
293.08014	5.2
294.05121	11.4
295.06018	100.0
296.06824	9.5
297.07535	19.0
307.06027	72.0
308.06778	21.2
309.04013	4.1
309.07520	26.0
311.05496	3.7
313.07043	9.0
319.05902	9.5
319.09277	2.6
320.06805	8.9
321.07614	46.1
322.08319	8.1
323.05542	14.8
323.09122	9.2
324.06274	3.9
325.07062	88.4
326.07651	4.6
333.07492	10.4
335.05432	8.4
335.09216	24.2
336.06323	9.7
336.09915	3.3
337.07050	56.6
339.08759	7.9
345.07327	4.8
347.05499	3.0
347.09219	15.1
349.07086	43.1
350.07968	3.2
351.05121	2.8
351.08780	18.3
353.06616	46.6
355.08292	4.9
359.09201	2.7
361.07059	16.2
363.08710	16.4
365.06488	10.1
365.10397	11.8
367.08151	8.9
373.07062	8.9
375.08594	17.9
377.06586	11.4
378.07373	2.7
379.08188	28.6
385.07056	3.7
387.08640	2.6
389.05865	2.9
389.10358	5.8
391.08102	37.1
393.09882	16.1
395.07709	6.3
397.08984	3.2
403.08011	21.0
407.07663	5.0
409.09152	40.2
415.08871	3.2
417.09848	3.3
419.07419	5.1
421.09201	53.6
427.10358	31.8
429.09448	2.9
433.08994	3.3
439.10284	88.8
445.09250	6.0
455.09644	5.1
457.11392	36.4
459.10626	2.5
463.10278	11.3
473.11111	3.1
475.10486	8.5
481.11322	27.7
487.10248	6.7
493.11111	10.3
495.12512	5.7
497.10892	7.0
505.11206	18.5
511.12292	7.8
523.12378	31.3
541.13397	44.0
556.23395	3.0
559.14392	28.3
576.32306	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	576.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.7
56.05045	0.7
57.03471	0.2
58.06626	0.5
60.07879	0.4
60.08171	6.8
67.05518	1.1
69.07084	0.3
69.94975	0.6
69.95378	0.4
71.07383	3.4
72.49093	0.2
79.05502	0.7
81.07082	1.5
82.02091	0.2
86.09716	31.5
91.05476	0.9
93.07030	1.2
95.04998	0.3
95.08630	0.7
98.98476	3.2
104.10748	3.2
105.07056	0.5
107.08591	0.4
109.06521	0.4
119.08573	0.3
121.10207	0.2
123.11732	0.3
125.00021	21.3
133.10190	0.3
135.08083	0.3
135.11723	0.3
145.10112	0.4
147.11707	0.2
149.13383	0.2
149.96635	0.2
153.04962	0.2
153.39879	0.2
165.12817	0.5
184.07361	100.0
185.07651	0.3
210.52527	0.2
212.13330	0.3
276.20078	0.2
288.55313	0.2
296.43460	0.2
392.15378	0.2
469.80319	0.3
472.05432	0.3
472.12100	0.2
518.93054	0.3
526.35992	0.4
544.37354	0.3
558.35303	1.0
576.36530	2.6
577.37427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98205	0.2
53.60299	0.2
53.87579	0.2
54.76485	0.3
57.03437	0.3
59.04055	0.2
67.05524	0.5
68.99809	0.2
69.03444	0.8
69.07085	0.4
70.13054	0.4
70.13436	0.5
75.73097	0.2
79.05520	0.6
80.65135	0.2
81.03439	0.7
81.07078	0.8
83.08659	0.3
85.02914	1.4
85.06552	0.3
87.00828	0.2
91.05505	0.6
93.07053	0.7
95.04991	0.3
95.08624	0.6
97.02915	0.7
98.97601	0.4
105.07047	0.4
109.02897	0.5
119.04974	0.3
119.08585	0.3
121.02890	0.5
121.10232	0.4
127.03943	0.8
131.04941	0.3
140.01103	0.4
145.02887	0.3
145.04977	0.4
146.03648	1.8
147.04465	0.7
157.10110	0.3
163.76976	0.2
168.00557	1.7
175.04066	0.3
186.01619	1.1
187.11604	0.2
199.04050	0.3
200.04692	0.7
215.03490	0.3
228.04218	1.6
240.04172	0.4
256.03687	3.9
268.03641	0.5
269.04422	0.6
271.06088	1.1
281.04578	0.3
283.06049	0.7
284.03192	4.5
285.03998	0.5
286.04773	1.3
295.06088	0.9
296.03052	0.6
297.03961	0.3
299.05569	2.4
307.06082	0.3
309.07516	0.3
313.03476	5.4
314.04227	47.5
315.04639	0.9
321.07523	0.3
325.07019	0.6
329.06573	100.0
330.06921	1.1
337.07031	0.3
349.07184	0.4
379.08261	0.3
409.09128	0.5
427.10150	0.3
439.10233	0.7
457.11026	0.3
481.11386	0.6
510.13370	0.3
511.11603	0.3
523.12317	0.3
541.12817	0.4
577.30090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02860	0.1
57.03439	0.2
67.05491	0.2
68.99820	0.2
69.03424	0.3
69.07085	0.2
71.06432	0.2
79.05524	0.2
81.03418	0.4
81.07075	0.3
84.08150	0.2
85.02911	0.6
91.05460	0.3
93.07058	0.2
95.08627	0.3
97.02923	0.4
97.79345	0.1
97.82446	0.1
98.97604	0.2
105.07005	0.2
107.08575	0.2
109.02902	0.2
109.10159	0.2
119.04920	0.3
121.02892	0.2
121.10175	0.1
123.00774	0.2
123.04429	0.9
123.05190	0.1
127.03923	0.4
137.06013	0.2
138.92628	0.1
139.03911	0.2
147.04407	0.4
149.02322	0.3
151.03943	0.6
153.01855	0.4
161.02351	1.3
161.06004	0.4
162.03137	24.9
162.98953	0.1
163.03711	0.1
165.01836	0.2
165.05496	0.2
167.07068	0.1
170.02089	0.2
172.05234	0.2
175.07709	0.1
179.03410	0.4
186.03146	0.3
189.01831	1.2
189.05591	0.2
200.04695	1.4
203.03426	0.3
211.03896	0.2
212.04675	0.3
213.05429	0.2
215.06944	0.2
216.04297	0.3
228.04185	6.7
229.04799	0.3
230.02098	0.3
231.02910	0.3
239.03397	0.6
240.04192	2.9
240.06612	0.2
241.04955	0.5
243.06558	0.8
244.03662	0.4
255.02777	0.2
256.03693	6.4
257.04388	0.3
268.03668	0.3
268.75476	0.1
269.04425	0.3
271.06027	7.2
273.07596	0.3
283.02457	0.2
284.03195	3.6
285.03873	0.3
286.04529	0.3
295.06052	0.4
296.03244	0.5
297.03958	4.1
298.04520	0.2
299.05530	9.0
301.07065	0.5
313.03506	1.8
314.04224	21.2
315.04623	0.2
325.07153	0.4
329.06564	100.0
330.06937	1.2
337.07040	0.2
343.08185	0.4
355.11823	0.1
363.08530	0.2
381.09891	0.3
397.12820	1.3
409.09155	0.2
415.13934	1.7
421.09375	0.1
427.10425	0.2
434.58295	0.1
457.11798	0.2
491.11746	0.6
577.11908	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27022	2.7
53.03942	5.9
53.57217	2.7
55.05512	29.9
57.07079	16.3
67.05512	46.0
69.03433	26.2
69.07078	35.0
71.04995	7.1
71.08646	9.0
71.32195	7.1
79.05499	48.1
81.07063	56.5
83.04988	20.1
83.08611	19.5
85.06548	9.6
85.10186	8.0
87.04466	4.2
91.05479	10.6
93.06034	2.7
93.07056	47.2
95.08054	6.4
95.08617	70.1
95.09091	2.5
97.06522	7.2
97.10191	16.4
98.20836	3.5
105.04588	3.2
105.07030	5.2
106.70425	2.9
107.04959	4.1
107.08616	32.2
109.02874	3.0
109.10162	46.6
111.04449	55.2
111.11738	6.6
115.03963	2.9
117.07064	3.4
119.08605	4.4
121.06521	3.0
121.10163	56.7
123.11730	18.9
125.06014	6.4
125.09650	4.1
127.07532	4.0
127.11256	5.0
127.85603	3.3
129.05495	100.0
131.08582	6.0
133.10168	6.2
135.08110	6.6
135.11716	42.3
137.13286	6.8
137.15053	3.4
139.07530	4.7
145.10149	4.2
149.09709	5.3
149.13289	12.1
153.09128	4.0
161.06001	3.6
165.01924	3.9
167.10773	3.6
173.13268	5.3
177.01834	3.9
179.51791	3.8
183.17458	5.0
189.16302	7.6
191.17967	73.9
195.02966	10.8
205.19498	4.2
209.19052	65.7
210.39394	3.6
211.20580	9.2
215.17996	6.5
219.21129	20.4
223.79553	3.4
230.64645	3.3
233.18997	15.7
237.22211	23.4
243.21198	3.4
251.20097	44.2
261.22260	3.9
269.21167	60.0
279.23248	14.0
287.22238	3.7
297.24161	15.0
299.12769	7.7
305.23181	9.9
317.14020	3.4
320.01590	3.4
433.20160	6.7
452.66443	3.7
575.40637	12.3
575.49701	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
55.05520	27.3
55.68411	3.7
57.07083	23.3
60.06686	4.1
63.29028	3.8
67.05508	52.3
69.03448	24.8
69.07072	49.3
71.04983	4.4
71.08630	9.2
77.22573	3.6
79.05502	49.4
81.07066	64.6
83.04991	18.8
83.08615	20.3
85.06535	10.0
87.04453	11.3
91.05492	11.3
93.07051	54.5
95.04970	7.3
95.08620	72.9
97.06538	8.8
97.10170	16.6
98.20721	8.2
105.07039	6.1
107.04942	5.8
107.08604	32.6
109.10161	39.3
111.04456	58.4
111.11776	6.6
115.03926	3.9
117.07009	4.8
119.08602	6.9
121.10152	59.7
123.11742	9.8
127.07582	5.2
129.05489	100.0
131.08606	6.9
133.10124	10.7
135.11691	36.5
137.13277	6.2
139.07553	12.0
139.11069	4.2
148.87952	3.8
149.09605	4.1
149.13300	11.1
165.16438	4.0
167.10559	4.8
173.13239	4.2
178.12048	3.7
189.16486	4.2
191.17966	90.3
191.19611	6.7
202.23158	3.4
209.19034	74.4
211.20578	10.7
215.17938	14.5
219.21086	11.0
233.19005	15.4
237.22137	7.1
251.20061	55.1
269.21143	85.9
279.23309	4.7
287.22421	6.0
297.24289	13.6
305.23358	11.9
437.45053	3.7
575.41510	69.0
575.50287	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	575.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32835	1.6
53.03941	3.1
55.01870	4.6
55.05265	2.1
55.05514	24.2
57.02095	1.8
57.07076	14.8
61.02880	1.8
67.05508	47.0
69.03431	28.3
69.07070	33.6
71.04995	4.6
71.08633	5.8
79.05500	44.2
81.03419	2.5
81.07063	58.2
82.22648	2.0
83.04991	21.3
83.08621	19.5
85.06559	9.2
85.10199	5.4
87.04465	6.1
89.45047	1.5
91.05486	12.0
93.07053	49.3
95.04976	2.8
95.08610	60.2
97.06519	7.6
97.10168	11.3
99.08112	1.6
105.07029	7.0
107.04940	2.3
107.08611	36.1
109.06487	2.9
109.10170	41.9
111.04455	52.0
111.08096	3.5
111.11737	7.2
115.03891	2.3
117.07034	3.1
119.08588	5.0
121.06516	4.5
121.10152	69.2
123.08064	2.9
123.11746	11.4
125.05999	5.5
125.09621	4.0
127.07549	3.3
127.11226	4.2
129.05487	100.0
131.08580	5.5
133.10158	6.3
135.08078	4.3
135.11690	37.4
137.09642	2.2
137.13272	2.8
139.07550	6.7
141.09094	2.0
145.10132	4.4
147.11734	3.6
149.09612	4.7
149.13286	10.3
151.14815	5.8
153.09102	4.9
159.11685	4.4
160.06586	1.8
161.13374	2.8
163.11211	6.1
163.14819	3.1
165.16396	2.2
167.10690	2.3
169.15831	2.1
189.16376	5.3
191.10555	2.5
191.17961	93.2
193.19606	2.6
196.70558	1.6
205.19482	4.1
209.19012	79.2
211.20538	8.9
215.17964	14.6
219.21194	3.0
227.12820	3.5
233.19008	20.8
237.22226	2.4
251.20099	47.9
269.21130	87.6
287.22165	9.1
305.23227	18.2
325.27670	1.9
504.45334	2.0
575.31396	2.0
575.40216	12.0
575.50159	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	575.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73950	2.9
51.02396	2.9
52.60675	2.7
53.03940	9.7
55.01875	14.8
55.05272	3.1
55.05518	51.0
55.48269	2.7
57.03428	12.7
57.07077	6.0
61.69209	2.6
62.88323	2.5
63.05154	2.6
65.03918	6.8
65.90963	2.4
67.05514	100.0
68.05819	3.1
69.03433	6.4
69.07072	31.2
71.05003	14.9
71.08626	4.9
79.05069	4.5
79.05500	70.4
79.15392	3.1
79.24830	2.6
81.03429	23.8
81.07069	86.3
83.04999	13.8
83.08627	26.7
85.02935	4.4
85.06550	6.2
91.05487	63.1
93.07056	79.5
95.04990	18.8
95.08614	60.7
97.02879	4.4
97.06505	13.9
97.10174	15.9
98.21517	6.6
99.08102	3.7
101.43809	3.1
103.05485	4.1
105.06395	4.6
105.07043	60.0
105.52153	3.0
107.04974	16.7
107.08604	47.7
109.06520	11.9
109.10166	27.6
111.08075	8.9
111.11683	2.9
115.05450	5.7
115.21117	3.2
117.07029	30.0
119.08583	50.7
121.06504	11.1
121.10148	30.3
123.08037	8.5
123.11732	4.3
125.09661	21.0
128.06189	7.1
129.07011	19.2
131.08597	39.6
131.62256	3.4
133.06516	5.8
133.10146	34.8
135.08052	9.4
135.11729	17.0
137.09610	4.7
137.13301	3.2
139.11157	2.6
141.07036	4.7
142.07785	5.9
143.08586	19.7
145.06505	3.3
145.10135	32.3
147.08060	8.0
147.11703	18.7
149.09598	12.8
149.13251	7.3
151.11203	3.8
155.08585	10.3
157.10165	23.6
159.08073	4.5
159.11694	28.8
161.09592	8.9
161.13269	7.2
163.11214	11.9
166.07735	3.1
167.08546	4.0
168.09486	3.2
169.10133	11.3
171.11673	16.5
173.09634	4.9
173.13278	13.5
175.11203	10.9
175.14771	4.8
177.12733	3.2
179.08516	3.5
181.10123	8.2
183.11693	11.2
185.13231	9.0
187.11128	3.1
187.14857	4.8
189.11198	7.0
189.12781	3.8
193.10257	3.5
193.12131	14.1
195.11659	10.6
195.13531	3.2
197.13313	7.0
199.14876	7.4
207.11607	3.6
209.13228	9.5
211.13275	12.0
223.13197	6.4
225.16655	3.1
227.12756	14.9
229.54735	3.2
252.46768	2.8
253.14226	3.1
267.15860	5.0
273.18466	15.1
275.20105	8.0
283.15408	4.8
285.22107	5.3
287.19992	3.6
289.17999	3.9
291.19525	27.0
297.22116	5.2
299.23694	7.2
347.22235	4.6
365.23331	4.5
375.80783	4.0
390.53751	2.9
415.29813	5.3
421.25845	4.2
433.30951	14.1
451.32230	15.8
469.33328	5.6
489.32993	3.2
507.34628	5.8
517.35388	21.5
525.35931	44.6
543.29382	4.2
543.36871	48.0
557.37744	13.9
575.36438	27.8
575.50275	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	575.2317
Annotation	Iandonoside B
Peak:m/z	Relative Intensity
71.24722	0.7
81.07106	0.6
85.02892	0.7
95.04984	0.6
100.11266	0.6
105.07057	0.6
105.88864	0.6
165.67284	0.5
173.09740	0.7
185.04214	6.1
250.75267	0.5
251.12573	69.6
252.12962	0.6
351.05252	0.7
413.17868	100.0
414.18338	1.9
457.63397	0.7
461.08328	0.7
503.09137	0.7
575.23059	53.2
576.22949	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43887	1.9
53.03951	10.1
55.01875	25.1
55.05264	4.0
55.05515	54.2
57.03445	17.6
57.07064	2.6
59.05016	3.5
63.97101	2.1
65.03944	6.5
67.05511	79.5
69.03436	10.1
69.07074	27.6
69.87031	4.5
69.87431	8.0
70.60034	2.4
71.04989	8.4
77.92904	2.3
79.05499	71.3
79.66245	1.9
81.03425	72.0
81.07063	100.0
83.04992	23.6
83.08620	35.8
85.02917	6.9
85.06542	7.1
91.05492	57.2
91.05956	1.2
91.06070	1.9
93.07053	49.9
95.04971	43.6
95.08618	32.3
97.02894	6.9
97.06543	18.2
97.10176	24.6
98.21421	2.8
99.04456	4.8
99.08073	4.9
102.20493	2.2
105.04531	2.3
105.07046	46.4
107.04955	25.5
107.08601	33.5
109.06527	20.4
109.10162	25.5
111.04449	20.7
111.08096	10.4
113.06023	2.4
114.89048	2.1
115.05455	4.4
117.07023	23.0
117.39835	2.2
119.04958	3.6
119.08597	39.0
121.06529	17.3
121.09311	3.1
121.10135	21.8
123.04383	2.5
123.08070	29.9
123.11715	5.0
125.09630	28.1
128.06232	5.5
129.07024	20.7
131.04945	2.9
131.08571	25.8
131.63652	1.9
133.06497	8.1
133.10130	18.6
135.08095	14.9
135.11685	16.2
137.09624	9.2
137.13374	1.9
139.11267	2.4
141.06982	5.2
141.09096	2.0
142.07785	4.9
143.08543	13.0
145.06506	10.6
145.10143	22.4
147.04497	3.3
147.08046	11.5
147.11700	16.6
149.09615	14.8
153.09143	4.0
153.12756	9.6
155.08530	6.6
157.06516	2.2
157.10173	15.8
159.08040	7.7
159.11774	11.0
161.05968	2.8
161.09641	6.9
161.13281	5.2
163.11183	23.9
165.09164	4.4
167.08572	4.3
169.10162	6.8
171.08055	5.0
171.10339	3.5
171.11652	10.9
173.09610	8.0
173.11858	2.9
173.13251	4.2
175.11240	9.9
177.12842	3.1
181.10149	3.5
181.12234	7.9
183.11743	4.1
185.09657	4.4
185.13193	3.5
187.11191	7.7
187.14796	2.2
189.09467	3.6
189.11226	19.2
189.12753	3.8
191.10677	4.3
193.12254	18.1
195.11781	4.4
197.09613	4.4
197.13347	3.3
199.11191	5.4
199.14977	2.3
203.10764	2.2
203.14407	2.8
205.12215	3.8
207.13707	2.5
209.11627	3.8
211.11316	2.7
211.13194	2.5
213.12776	2.6
219.13786	24.8
223.13295	5.0
225.12752	3.0
227.12755	21.1
229.14317	2.9
231.13933	2.2
239.18060	2.2
243.13889	2.9
245.19063	2.7
249.14874	3.9
252.10757	2.7
255.17532	2.5
257.18835	2.3
267.15894	26.7
271.16833	3.6
273.18585	22.3
275.20169	7.4
283.15356	3.8
291.16400	1.7
291.19547	48.6
295.20432	3.1
309.20609	3.9
311.20215	3.2
313.21646	6.4
315.19650	4.6
323.20215	3.2
327.19437	2.6
329.21191	5.5
341.21069	7.0
345.20679	2.9
347.22162	8.1
359.22192	2.6
365.23395	9.6
367.22443	2.4
385.23877	3.9
403.24512	5.2
415.25143	2.9
433.25891	10.8
447.28683	10.2
459.27246	2.9
465.30023	17.2
467.97519	2.1
483.31168	15.4
501.31906	6.2
539.33490	12.5
557.34741	52.6
575.35846	41.9
575.50391	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	573.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29626	0.9
53.03946	2.8
53.96039	1.2
55.01875	2.9
55.05516	15.4
57.03448	2.6
57.07079	25.2
65.03944	1.8
67.05511	32.1
69.03433	10.5
69.07081	18.3
71.05001	26.9
71.08638	14.1
71.55132	1.3
79.05501	22.2
81.03407	3.0
81.07066	31.3
83.04991	8.8
83.08626	10.9
85.06547	3.4
85.10186	11.4
87.04488	1.7
91.05489	9.1
93.07054	22.3
95.04969	3.9
95.08619	36.7
97.06551	6.0
97.10173	4.0
105.07036	4.9
107.04960	1.9
107.08599	16.2
109.10173	21.3
111.04469	13.2
111.08076	2.1
111.11747	1.8
115.03874	1.1
117.07017	2.9
119.08622	5.6
121.06499	2.1
121.10154	23.0
123.08105	1.8
123.11688	5.2
125.09651	1.6
127.11251	1.3
129.05498	17.7
131.08571	5.0
133.06496	3.7
133.10139	5.6
135.08051	2.3
135.11707	16.5
137.13223	1.3
141.12743	1.8
145.10121	3.3
147.11703	2.4
149.09569	1.6
149.13274	4.7
151.14880	1.7
153.09148	2.0
157.10181	1.9
159.11615	1.7
161.06050	8.1
161.13278	1.6
163.14839	2.5
165.16400	1.1
169.15921	8.4
187.11131	1.3
189.16399	2.0
191.17952	22.8
205.19530	3.1
209.19008	29.3
215.17978	4.2
223.20496	2.5
227.20029	5.4
233.19064	5.0
241.14359	1.2
249.18584	1.5
251.20041	10.8
256.26273	1.6
269.21149	100.0
270.21518	1.4
276.36838	1.3
287.21976	1.5
297.24387	2.3
300.28943	4.3
412.50742	1.2
505.25452	2.0
555.40558	1.3
573.40735	3.9
573.48926	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	573.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01869	1.3
55.05513	2.2
57.07082	1.9
59.37310	0.8
62.84719	0.7
67.05519	7.2
68.99812	4.2
69.03403	0.9
69.07079	13.4
69.95345	0.8
70.59876	2.0
70.60199	0.8
71.08618	1.0
79.05502	11.8
81.03411	1.2
81.07071	10.2
83.01347	2.2
83.04989	1.4
83.08631	2.3
91.05489	8.9
93.07051	13.0
95.01395	0.8
95.04988	3.1
95.08607	6.7
97.06554	3.2
103.05478	4.0
105.07047	10.4
107.04954	2.1
107.08612	9.2
109.02906	1.7
109.06515	2.9
109.10194	5.7
109.10800	0.8
115.05489	1.0
117.07037	4.7
118.04153	3.8
119.05000	0.9
119.08595	5.7
121.02911	0.9
121.06516	10.0
121.10137	7.3
123.08069	1.1
123.11736	2.3
125.06058	1.1
128.06273	1.0
129.07040	3.3
130.07837	0.8
131.08577	4.6
133.06511	32.5
133.10150	10.7
135.04420	1.6
135.08060	7.7
135.11716	11.8
138.96115	0.8
141.07011	1.2
143.08583	2.7
145.06503	2.5
145.10150	5.0
147.08043	3.8
147.11716	3.5
149.06006	2.2
149.09634	1.2
149.13315	1.8
153.01831	1.1
155.07065	1.5
155.08549	1.3
157.06499	2.2
157.10193	2.2
159.08090	1.6
159.11713	3.8
159.22980	0.8
160.05118	0.9
161.06001	100.0
161.13271	2.6
163.07629	1.5
163.11238	1.2
167.08635	0.8
169.01294	2.2
169.10081	1.3
171.08067	1.5
171.11719	3.2
173.05975	1.1
173.09685	1.4
173.13200	1.7
175.07533	1.8
175.14880	1.7
177.01884	3.0
177.16547	1.0
181.01366	11.5
181.06593	0.8
181.10092	1.1
183.08014	1.2
183.11700	1.5
185.06007	2.4
185.09674	0.9
185.13287	1.4
187.04021	1.0
187.07561	1.0
187.11255	1.1
187.14847	1.2
189.05508	1.5
189.12750	2.6
193.05038	1.1
195.02850	2.5
195.08104	0.9
195.11749	1.5
197.09634	1.1
199.02374	9.6
199.11374	1.0
199.14894	1.1
201.05542	1.0
201.12747	2.3
203.07050	21.6
207.02887	2.2
207.06593	1.0
209.13347	1.3
213.05568	1.5
215.07047	0.9
215.10632	1.8
215.14288	1.0
215.17867	0.8
217.12231	5.5
217.19475	1.3
222.86816	0.9
227.06926	1.3
229.12230	1.0
229.19528	0.9
231.06587	2.3
235.06091	1.1
237.07666	1.4
241.04785	1.0
241.12166	0.9
243.17566	4.0
247.06113	2.4
251.17888	1.1
253.12257	1.3
255.10320	0.9
255.13806	1.1
255.17426	1.0
257.18906	1.9
259.13400	0.9
269.11728	1.9
269.18994	1.6
273.07724	1.0
279.17456	1.1
283.13220	1.8
285.07986	1.1
285.11182	4.2
287.12854	0.9
297.11218	2.2
297.14987	2.5
297.18478	1.7
303.12299	8.7
307.24353	2.3
311.12857	1.2
311.16409	1.4
311.20032	0.7
315.08728	2.3
319.17004	1.0
321.18469	1.2
323.12811	1.5
325.18002	1.2
325.25299	2.9
327.12314	1.0
327.26880	2.4
329.13892	1.0
337.14401	1.8
339.19559	3.2
343.18829	1.1
343.26266	1.8
347.16415	1.2
353.17557	2.4
353.24765	1.2
365.17648	2.1
371.18628	2.6
375.23331	2.0
377.24359	1.2
379.15045	0.9
379.19281	1.4
383.18561	1.0
393.24500	1.4
395.25851	7.6
401.17703	1.1
403.22916	5.5
419.18842	5.6
421.23853	14.7
431.18607	1.1
437.19901	1.5
439.24719	6.1
459.25705	0.8
461.40540	0.9
467.18948	0.8
477.26373	2.0
487.24762	2.8
505.25909	2.5
529.32776	1.3
537.29761	2.5
555.31329	6.4
573.31543	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96580	0.3
61.95877	0.3
64.57336	0.3
69.03439	0.4
69.07059	0.3
69.34156	0.3
70.06593	0.6
71.47124	0.6
72.08156	0.5
85.02921	0.9
86.09710	0.6
95.04982	0.8
97.02934	0.5
99.04446	0.4
109.10187	0.3
119.95635	0.3
147.02724	0.3
147.04439	0.7
167.06894	0.4
203.05368	1.5
217.13353	0.4
229.95676	0.3
321.31448	0.3
375.23712	0.4
393.18924	2.1
395.20682	0.4
411.20874	0.7
573.25262	100.0
574.25879	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	573.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70633	0.8
53.03939	2.0
55.01875	1.1
55.05505	2.6
57.07063	2.1
57.26795	0.9
59.25833	0.8
67.05511	6.8
68.99790	4.1
69.07071	13.8
69.17107	3.8
69.17522	5.3
71.08610	1.2
77.03893	1.1
79.05499	12.2
81.03429	1.5
81.07062	10.9
83.01336	3.0
83.04987	1.4
83.08610	2.1
89.03955	0.8
91.05474	8.0
93.07057	13.0
95.04961	3.0
95.08163	0.7
95.08630	8.2
95.50106	0.8
97.06521	3.7
97.10147	1.9
98.21522	1.9
99.08095	1.1
103.05467	2.8
105.07041	10.1
106.51429	0.8
107.04977	2.0
107.08612	9.9
109.02898	2.1
109.06510	3.6
109.10163	5.7
115.05423	1.0
116.74379	0.9
117.07047	5.9
118.04173	4.0
119.04958	1.0
119.08612	5.6
121.02837	1.0
121.06528	10.7
121.10162	7.3
123.08047	0.9
123.11713	2.4
128.06297	0.9
129.07002	4.1
131.08592	4.4
133.06505	30.7
133.10135	11.3
135.04390	1.9
135.08044	5.9
135.11687	10.3
137.06001	1.3
137.13248	1.5
141.07016	1.7
143.08569	2.1
145.06448	2.4
145.10115	3.7
147.08034	2.3
147.11671	3.3
149.09520	1.2
151.07388	1.2
155.08586	1.6
156.09372	1.0
157.06451	1.2
157.10094	1.3
158.07289	1.3
159.08046	1.9
159.11693	3.6
161.05994	100.0
161.13243	2.4
162.95216	0.8
163.07610	1.7
163.11232	1.2
169.01311	1.7
169.10117	1.2
171.08078	0.9
171.11685	3.7
173.09506	1.1
173.13252	2.9
175.07573	1.7
175.11205	1.5
175.14795	1.5
177.01872	1.3
179.03432	1.5
179.07101	1.1
181.01344	11.4
181.10098	1.7
183.08115	1.0
185.05923	2.7
185.09593	1.0
187.14870	1.3
189.05414	1.0
189.12709	2.8
189.16435	1.4
191.06935	1.0
195.02940	2.1
195.11606	1.4
199.02377	10.7
199.07629	1.5
199.11143	1.7
199.14949	1.0
201.12738	1.9
203.07053	19.1
203.17931	1.1
207.02922	2.1
207.06386	1.1
213.05432	1.2
213.12875	1.0
215.07039	1.3
215.10655	1.7
215.17979	1.2
217.12259	4.7
217.19487	1.7
219.06430	1.2
223.11095	0.8
225.12709	1.0
227.07094	1.5
229.12363	0.9
241.15977	1.4
243.06418	1.0
243.17461	4.5
245.18912	1.2
247.06053	3.5
249.07634	1.3
251.17886	1.2
255.13959	1.3
269.11627	1.5
283.13251	2.1
285.07751	1.2
285.11172	3.6
287.12802	1.8
297.11395	1.9
297.14749	1.1
297.18433	1.0
303.12335	7.8
307.24133	2.4
311.20053	2.3
315.08768	4.2
315.12042	0.9
321.18420	1.0
323.12732	1.3
325.17920	2.0
325.25253	2.9
327.26715	1.9
335.16226	1.0
337.14383	1.9
339.19504	2.4
343.19318	1.2
343.26248	2.3
347.16339	1.1
351.15942	0.9
353.17502	2.5
365.17465	2.4
370.17691	0.9
371.18604	2.9
375.23083	1.2
379.19223	0.9
382.93707	0.9
393.24384	1.3
395.25806	10.1
403.22696	3.3
419.18683	5.8
421.23837	14.5
437.19550	2.2
439.24796	7.6
459.25226	1.6
477.26813	1.4
487.24603	1.9
505.25790	3.7
529.32697	1.5
537.30060	2.5
555.30829	6.2
573.32013	1.4
573.40631	1.8
573.48663	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.6
56.21690	0.8
56.96543	1.1
57.03433	1.9
61.02921	1.0
61.86390	0.7
65.03961	0.9
67.05533	1.0
68.99799	1.4
69.03427	1.6
69.99897	3.4
70.06580	3.5
81.03422	3.4
85.02904	3.5
86.09706	1.5
91.05469	2.9
93.07039	0.9
95.06075	1.2
95.08591	0.8
97.02895	1.1
98.20818	1.0
101.02391	5.2
105.07076	0.8
109.02848	2.4
112.08748	0.9
113.75570	0.8
119.04918	3.5
121.02878	17.0
122.06031	1.6
135.04402	0.8
143.25302	0.8
145.02867	1.9
147.04384	2.0
149.06023	0.9
151.03949	0.9
161.02374	1.5
163.03893	1.9
177.01756	0.7
179.03416	1.7
187.03816	0.9
189.01877	5.1
191.03416	2.7
193.01297	1.0
194.11830	1.1
195.02916	3.2
195.10190	1.5
201.01611	1.1
203.03430	4.1
204.67421	0.9
205.01440	0.9
205.05147	0.8
207.02934	3.8
215.03409	1.5
217.01392	1.1
217.05055	1.3
219.02887	2.4
233.00829	1.5
239.07362	1.2
243.02994	2.1
245.04588	1.2
247.02458	1.0
254.05562	1.0
257.04565	1.2
259.02417	1.6
261.03830	1.2
266.05780	1.9
267.06561	2.2
268.07330	2.3
269.08182	1.3
273.03824	1.1
279.06503	3.1
281.08008	1.5
283.05969	8.0
284.06714	1.5
284.13214	2.5
287.01880	1.6
289.03433	1.5
291.06866	1.0
293.04437	2.2
293.08078	2.8
294.05261	7.4
295.06030	33.6
295.09384	1.6
296.06699	5.2
297.07642	13.2
300.87646	0.9
305.08124	1.3
307.06030	25.3
308.06796	8.3
309.04108	1.9
309.07513	9.0
313.07034	2.6
317.08298	1.5
319.05988	3.4
320.06851	2.7
321.04050	1.3
321.07556	11.2
322.04654	2.5
322.08359	2.1
323.05466	5.3
323.08994	1.8
324.06342	3.0
325.07074	24.9
326.07562	1.2
333.07617	3.8
334.08536	1.3
335.05478	4.6
335.09216	3.8
336.06293	2.9
337.03479	1.1
337.07062	21.2
337.11035	1.5
339.04904	1.5
339.08676	2.6
340.05966	0.9
345.06750	1.0
347.05444	1.8
347.09177	1.5
348.06198	0.9
349.03354	6.1
349.07114	10.3
350.07645	2.6
351.04868	1.2
351.08560	4.4
353.06558	6.5
361.03455	1.3
361.07190	8.5
362.07681	1.3
363.08658	3.5
363.18741	0.9
365.06573	3.3
365.10489	1.9
367.08109	4.3
373.06970	3.0
375.04620	1.2
375.08945	4.1
377.06512	6.2
379.04303	1.5
379.08224	8.3
381.06024	1.0
389.06335	5.4
391.08224	8.3
393.10132	1.2
395.07568	1.3
397.05563	1.2
403.08524	5.0
405.05753	2.2
407.07843	5.7
409.09525	1.4
411.06943	1.4
411.22473	5.2
417.09918	1.2
419.07504	2.5
421.09207	3.6
423.07129	32.5
431.07629	3.7
435.07126	8.2
437.08502	1.1
443.07629	1.5
444.21689	1.1
445.09045	2.5
449.08630	1.3
453.08206	29.7
454.08472	1.0
455.07513	1.4
463.10468	1.2
465.07788	1.0
473.08524	2.9
477.08188	24.0
483.09177	2.9
489.08200	7.3
491.09409	2.9
495.09360	1.6
499.17551	0.9
501.08194	8.2
507.09207	10.5
509.10440	1.1
519.09204	18.5
537.10327	50.2
538.10309	1.5
553.59625	0.9
555.11359	100.0
556.11688	2.5
573.12512	9.9
573.28186	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	573.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08521	1.3
53.08347	1.3
57.90755	1.4
58.28564	1.4
58.99865	1.7
69.03410	1.4
69.49982	4.2
69.50401	5.5
70.99857	2.1
71.75580	1.4
71.91797	1.3
77.00902	5.1
81.03415	4.2
82.99860	1.8
89.00881	3.6
91.05478	4.2
98.20763	3.1
99.04452	2.1
100.00112	1.5
101.00896	20.2
103.00600	1.3
108.45662	1.3
109.02882	5.7
113.00875	4.8
115.02443	8.7
119.01161	1.7
119.01940	23.6
119.04956	13.2
127.02443	4.3
127.03908	1.4
128.41016	1.3
129.04002	2.8
131.01921	11.3
133.03513	7.0
135.01372	2.4
137.02928	2.5
139.02374	7.9
139.03896	1.9
142.01070	2.8
143.01915	9.6
143.02870	1.7
145.01711	1.8
145.03511	14.0
147.01366	2.3
147.04422	67.4
147.92378	1.6
148.04736	2.5
155.01869	4.0
156.02699	7.3
157.03485	24.0
159.01363	3.1
159.05057	4.8
160.02188	2.2
161.03008	8.1
163.02689	2.1
166.01120	2.7
167.01955	8.0
168.02701	2.3
169.03516	4.5
171.01477	2.0
171.04994	1.9
173.02989	2.4
175.04552	8.6
175.85352	1.5
177.05411	1.9
179.05515	2.0
181.03429	3.6
183.01430	1.8
183.05078	3.4
183.27612	1.4
184.02206	6.6
185.02992	18.9
187.02831	2.5
187.04506	3.6
197.02966	1.7
197.06639	1.9
199.04547	9.5
203.04025	8.4
205.03468	7.8
211.04713	2.1
217.05640	14.9
221.05136	4.0
223.04555	10.8
227.04008	2.7
229.03412	2.2
235.06651	43.1
237.06151	3.3
241.05595	13.8
243.05075	1.7
245.05121	4.3
246.03770	2.3
247.04567	8.4
253.05142	2.5
253.07724	44.8
261.06152	5.8
263.06155	6.9
265.05557	10.9
271.08771	1.6
272.05222	1.4
273.06091	2.8
275.07779	1.8
276.70612	1.4
277.07733	100.0
279.07123	10.2
281.07220	3.9
283.06677	2.5
289.05182	3.1
289.07776	5.5
291.05350	8.1
293.07547	2.5
295.08783	62.9
303.09528	17.2
305.07764	2.2
309.06662	4.3
317.07129	2.0
318.10495	3.1
319.08798	1.8
321.06659	15.8
321.10379	5.2
329.07281	1.5
335.08224	1.8
339.07791	9.0
352.73880	1.6
363.09088	3.1
367.09283	1.8
381.10358	92.1
382.10532	2.5
391.07114	2.6
395.11841	5.3
399.11447	41.8
399.16632	2.7
409.08368	39.8
413.12860	1.6
422.12741	1.6
427.09189	11.1
427.54138	1.5
449.12830	2.2
463.10327	1.8
555.11932	15.5
573.13129	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	570.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57598	0.7
56.96575	1.3
60.30630	0.7
69.03424	1.2
70.06586	2.6
71.55922	1.1
72.08161	0.8
81.03419	1.1
81.07043	0.8
85.02902	4.5
91.05473	2.2
97.02866	2.2
98.97614	0.9
105.06984	1.0
115.05470	0.9
120.08147	1.4
127.03951	0.9
128.06241	1.3
129.07013	9.3
131.04935	0.9
131.08577	7.3
137.05981	2.4
141.07021	6.2
144.05672	0.7
145.02834	0.7
145.06494	1.2
146.07271	1.0
147.04408	1.6
157.06499	6.9
158.07288	2.9
159.08060	5.7
161.09628	0.9
167.07076	1.5
169.06477	3.0
170.07291	1.2
173.13144	0.8
174.06783	14.5
175.07533	3.1
177.05473	1.4
180.08649	1.2
186.06778	3.8
187.07513	0.6
188.08311	0.9
189.09122	26.9
191.07239	0.7
191.10707	2.2
201.09126	10.0
219.10178	100.0
220.10577	0.8
237.11069	1.0
247.09497	0.8
298.12372	0.7
325.06824	0.9
409.15109	1.2
571.19580	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69355	0.6
55.01880	5.3
60.60112	0.7
65.03951	1.7
67.05512	0.7
69.03434	0.9
71.55602	1.0
73.22351	0.6
81.03413	1.0
81.07069	0.7
83.01334	0.7
83.05000	0.9
85.02906	3.2
86.21117	0.6
88.46240	0.7
91.05484	1.2
93.03384	0.7
95.05040	0.6
97.02900	1.2
101.02385	4.7
105.07024	0.9
107.04977	1.1
109.02862	3.1
111.04490	1.6
117.05204	0.8
119.04939	3.0
121.02877	48.4
121.03918	1.7
141.01807	0.8
145.02844	1.6
147.04431	0.9
149.02351	0.7
151.03986	1.0
151.07558	0.7
161.02455	0.8
163.03990	0.9
165.01845	2.0
173.02327	0.8
173.06073	0.7
175.03920	1.2
177.01842	3.0
179.03444	2.1
187.03935	1.8
189.01828	3.6
191.03424	1.8
195.02899	2.3
203.03410	4.2
205.01486	1.7
205.05003	1.2
207.02916	3.6
215.03474	2.1
217.01343	1.4
217.04900	1.6
219.02904	2.1
221.04459	1.3
229.04918	1.5
233.04491	1.2
239.03635	0.8
243.02928	3.6
245.04527	2.0
247.02486	1.4
253.05025	0.7
255.02852	0.9
257.04446	1.6
259.02444	1.2
259.06049	0.9
261.03983	1.0
265.04950	1.1
267.06570	3.0
268.07324	5.7
269.04514	1.4
271.02448	1.4
271.05890	1.8
273.04004	2.9
279.06625	2.6
280.07324	1.8
281.08044	1.0
282.05463	1.1
283.06006	11.1
284.06741	1.0
285.03918	2.3
287.01907	2.0
287.05594	2.0
289.03491	2.7
291.06448	1.0
293.04703	1.1
293.08121	2.1
294.05392	4.9
294.08466	1.2
295.06021	30.7
295.09393	1.5
296.06805	6.8
297.04202	1.4
297.07602	6.0
299.01883	2.6
299.05423	1.4
301.03488	1.1
301.07144	1.0
305.03073	0.8
305.07986	1.6
307.06046	15.5
308.06845	4.7
309.04129	1.6
309.07614	4.6
310.04742	1.2
311.05420	1.4
313.03473	1.8
313.06876	1.2
315.05023	3.6
317.02988	2.8
317.07950	2.3
318.08966	1.0
319.06067	3.0
319.09491	0.8
320.06699	1.3
321.03952	4.0
321.07614	13.5
322.04648	2.5
322.08426	5.7
323.05493	8.5
323.09180	1.6
324.06488	3.1
325.07056	32.8
325.10947	1.6
327.05145	1.1
329.06854	1.3
333.07590	4.5
334.07971	0.8
335.05487	3.8
335.09235	2.6
336.06277	1.6
336.09915	0.9
337.03326	1.9
337.07092	7.2
339.04880	1.1
339.08655	2.2
341.02817	1.2
345.07635	1.5
347.05441	1.4
347.09146	2.3
348.06296	0.9
349.03418	5.8
349.07162	6.8
350.07977	1.6
351.04880	1.1
351.08600	5.1
353.06641	5.6
355.04416	2.3
357.06241	1.3
361.07077	9.5
362.07803	0.9
363.04779	1.4
363.08746	3.4
365.02878	1.6
365.06540	1.1
365.10275	2.2
367.04416	2.4
367.08173	2.3
373.07260	1.6
375.04831	1.6
375.08768	2.0
377.06555	5.9
378.07437	0.9
379.08090	2.9
381.05981	1.3
383.03735	1.6
385.07031	0.7
389.01868	0.8
389.06500	2.8
390.07251	0.8
391.08234	4.2
392.04904	1.0
393.05435	3.4
393.10330	1.1
395.07904	4.5
403.08212	1.9
405.05945	7.8
407.07462	6.6
407.11761	0.7
411.07178	2.7
417.05719	1.3
419.07852	3.5
421.09198	3.4
423.07132	100.0
424.07526	1.8
431.07700	1.8
433.09384	1.4
435.07059	23.9
445.09146	2.8
447.07397	1.1
449.08865	5.2
453.08203	41.5
454.08539	0.8
455.07431	2.3
461.08899	1.3
463.10291	7.0
473.08691	2.8
477.08228	65.0
478.08740	1.2
483.07336	4.0
489.08322	11.9
491.09933	3.6
501.01047	1.5
501.08231	25.2
501.15515	1.3
502.08176	0.9
507.09280	21.5
511.28983	0.8
519.09314	24.3
537.10315	23.6
555.11383	6.2
573.28943	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	569.2944
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
50.26657	0.5
51.86320	0.5
55.01859	0.5
55.05502	0.8
55.96161	0.4
56.96563	0.7
57.03449	0.9
60.05665	0.5
67.05508	0.8
69.03428	0.9
69.07076	0.9
79.05505	1.5
81.07060	1.7
83.04965	0.6
85.02910	1.1
91.05486	1.1
93.07069	1.1
95.04930	0.7
95.08609	1.6
97.02937	0.7
97.06527	0.7
98.97624	0.7
105.07039	1.0
107.08614	0.5
109.10179	1.0
112.09857	0.5
119.01945	0.7
119.08593	1.3
121.10164	1.0
122.60150	0.5
127.03897	0.9
133.10132	1.0
135.11749	0.6
145.04991	0.6
145.10165	0.6
149.22162	0.6
151.71346	0.6
168.30530	0.5
181.42378	0.5
229.02069	0.7
235.09692	1.0
259.30338	0.6
407.24039	8.3
421.09122	0.6
537.12262	0.6
569.29358	100.0
570.29443	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.7
59.65099	0.5
67.05473	0.6
69.23147	4.3
79.05468	0.7
81.07042	1.0
84.72240	0.5
93.07068	1.1
103.26269	0.7
119.08607	0.8
159.26962	0.6
160.86053	0.6
171.11734	0.6
218.42876	0.5
281.17279	1.0
299.18332	7.9
309.20377	0.9
327.21408	5.7
331.89682	0.6
355.24521	0.8
366.74725	0.6
569.40295	100.0
570.40637	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	569.294
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
53.03954	0.3
55.05508	0.8
57.03435	0.4
57.43657	0.3
66.06096	0.3
67.05524	1.3
69.03434	0.6
69.07043	0.4
69.78513	0.3
71.55460	0.3
79.05488	0.8
81.03415	0.7
81.07059	1.6
83.04974	0.3
83.08623	0.4
91.05491	0.8
93.07048	1.0
95.05006	0.6
95.08608	0.8
96.01813	0.3
105.07032	0.8
107.08634	0.5
109.10156	0.8
119.08603	0.4
126.23989	0.3
127.69910	0.3
129.07071	0.3
133.03581	0.3
135.04459	0.3
145.10222	0.3
147.04370	0.4
159.11595	0.3
161.09595	0.3
184.03357	0.3
185.04288	1.0
196.63206	0.3
201.03871	0.4
203.05333	1.2
211.04620	0.3
243.14508	0.3
259.07892	1.4
301.14368	0.8
331.10062	1.7
333.19489	0.6
351.20331	0.7
387.16370	0.7
407.24188	1.9
441.21164	2.7
443.22647	0.5
488.16150	0.3
499.21664	1.3
569.29401	100.0
570.29565	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.8
55.05531	12.6
57.07068	9.9
67.05508	18.8
69.07083	17.6
70.06577	5.4
71.55486	2.3
79.05510	19.8
80.06277	3.5
81.07069	30.2
82.07348	3.2
83.04975	2.8
83.08623	6.0
85.06545	3.4
85.10146	2.5
87.93548	2.0
88.07626	5.6
91.05492	35.7
93.07055	47.5
93.50720	2.1
94.07825	2.7
95.04977	35.6
95.08620	31.3
97.06502	2.8
103.05493	3.7
105.07047	73.4
105.11954	2.7
106.07783	7.2
107.08608	45.3
109.06538	4.8
109.10178	16.1
115.05473	3.7
117.07028	25.7
118.07832	4.3
119.08593	100.0
120.09365	7.9
121.10149	30.8
123.08098	17.5
123.11782	4.7
125.09632	4.7
128.06219	8.4
129.07027	19.1
130.07774	8.3
131.08591	47.0
132.09412	11.9
133.10143	57.5
134.10899	3.3
135.08046	5.5
135.11674	16.9
137.09644	5.9
138.10367	6.9
141.06998	8.1
142.07829	18.4
143.08586	38.4
144.09323	11.8
145.10143	85.2
146.10825	3.0
147.11696	21.4
149.09602	7.2
151.11194	3.5
154.07790	4.8
155.08580	16.3
156.09346	14.0
157.10152	48.6
158.10934	9.5
159.11716	36.2
160.12445	4.0
161.09674	3.1
161.13254	7.1
163.14713	2.6
165.06973	3.9
166.07767	3.1
167.08563	6.1
168.09354	6.7
169.10130	21.6
170.10959	6.9
171.11711	32.4
172.12482	4.1
173.13275	30.3
174.14136	2.6
175.14838	22.5
177.12773	4.1
179.08588	6.7
180.09354	3.3
181.10103	16.9
182.10909	8.5
183.11717	27.1
183.69818	2.4
184.12471	5.8
185.13274	18.2
186.14059	5.8
186.37148	2.7
187.14824	14.1
189.12723	3.7
191.14291	11.1
193.10141	7.9
194.10970	9.4
195.11723	16.9
196.12469	6.9
197.13322	23.5
198.14041	6.6
199.11287	2.8
199.14909	12.1
200.15588	3.0
201.12762	4.6
201.16380	5.8
206.10861	3.5
207.11684	9.9
208.12430	5.4
209.13269	31.2
210.14021	3.4
211.14853	13.8
213.16426	8.7
217.15900	4.7
219.17476	4.2
221.13231	9.8
222.13982	5.4
223.14842	13.8
224.15631	4.9
225.16406	6.2
231.17081	3.2
232.12505	2.8
233.13205	5.2
235.14751	7.4
237.16437	9.1
239.17955	4.4
247.14853	3.0
249.16302	7.7
253.19513	2.8
261.16458	2.7
263.17990	6.1
265.19522	4.0
270.19843	3.1
283.20535	4.8
284.29633	12.0
285.22229	4.2
295.20618	2.7
305.22659	2.9
311.29492	14.0
312.32697	2.7
323.23618	5.8
338.26062	39.4
430.32458	13.2
476.36298	15.3
568.42841	22.4
568.56580	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88051	1.5
52.06598	1.5
52.56224	1.3
53.03939	5.1
55.05515	12.3
57.07085	7.1
65.03944	2.4
67.05501	15.1
69.07065	12.5
70.78613	2.6
73.02734	1.3
77.03922	1.6
77.81387	1.8
78.04703	2.1
79.05495	18.9
80.06264	3.6
81.07059	32.3
83.04983	2.2
83.08611	4.2
85.06554	1.5
85.55133	1.5
87.89438	1.5
91.05482	41.5
92.06268	2.7
93.07047	52.7
94.07825	2.6
95.04974	39.2
95.08610	27.0
97.06545	2.8
100.10278	1.4
103.05450	3.8
105.04539	3.2
105.07031	76.9
106.07843	2.6
107.08597	44.4
108.09369	2.4
109.06504	4.9
109.10159	20.2
111.08028	1.7
115.05442	4.9
116.06274	2.3
117.07020	29.7
118.07786	2.2
119.08586	100.0
120.09377	8.1
121.06514	2.5
121.10150	31.4
123.08088	15.6
123.11697	6.5
128.06201	11.6
129.07002	17.1
130.07791	10.7
131.08575	45.3
132.09363	10.7
133.10136	52.3
134.10907	7.0
135.08072	5.7
135.11696	14.1
137.09613	5.2
138.10400	6.1
139.11185	2.2
141.06963	7.9
142.07787	19.9
143.08562	40.6
144.09335	17.0
145.06396	2.0
145.10129	85.2
146.10872	4.8
147.08118	1.6
147.11688	22.9
149.09604	5.6
149.13268	3.3
151.11157	1.8
153.07021	3.1
154.07770	4.1
155.08543	18.7
156.09341	15.4
157.10130	51.3
158.10927	11.1
159.08067	2.9
159.11702	40.4
159.87573	1.7
160.12415	5.1
161.09657	4.2
161.13246	6.4
163.11220	2.9
165.07004	4.6
166.07814	2.9
167.08588	6.9
168.09337	6.1
169.10139	27.1
170.10965	7.7
171.11688	33.2
172.12476	6.4
173.13269	27.9
174.14072	1.8
175.14813	22.7
177.12781	6.5
179.08615	9.1
180.09262	3.5
181.10143	15.5
182.10876	7.8
183.11713	27.8
184.12515	5.7
185.13260	25.6
186.14061	8.3
187.11162	2.1
187.14827	14.7
189.12738	5.2
191.14272	9.4
192.09254	2.3
193.10165	10.5
193.15886	1.8
194.10930	10.1
195.11710	16.0
196.12518	8.1
197.13274	24.2
198.14064	6.7
199.14827	14.4
200.15570	2.0
201.12759	3.2
201.16435	9.0
203.14261	1.8
205.10188	2.3
205.15852	3.2
206.10909	3.1
207.11667	8.7
208.12421	4.3
209.13226	23.8
210.13966	4.5
211.14847	22.9
212.15550	2.3
213.16356	6.8
215.14301	1.7
217.15875	7.7
219.11803	4.1
219.17467	3.3
220.12383	2.7
221.13297	9.9
222.14050	3.1
223.14810	10.3
224.15567	5.8
225.16371	8.9
226.17082	2.9
227.17848	2.4
231.11697	1.8
231.17563	2.1
233.13179	3.8
234.14162	2.0
235.14804	7.7
237.14201	1.6
237.16327	9.1
239.17982	5.6
241.19534	3.4
243.17570	1.8
247.14787	3.1
248.15265	2.0
249.16473	3.8
251.17969	3.1
255.17413	2.8
257.18973	2.7
258.19708	1.6
259.20612	3.2
261.16391	2.3
263.17941	2.4
265.19589	5.1
267.21127	2.2
271.20624	3.1
273.16440	2.4
275.17874	2.3
277.19580	4.3
279.20996	1.8
283.20584	3.3
291.60211	1.9
297.22144	3.4
314.08344	1.6
323.23679	7.2
324.24130	2.2
337.25235	2.7
338.26038	42.4
349.25073	2.6
351.26712	2.2
420.29919	1.9
428.95404	1.6
430.32217	13.5
458.35754	2.2
476.36523	15.7
512.36359	1.7
550.21411	1.6
550.41669	1.9
568.42712	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	568.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	1.0
56.66192	0.5
57.05803	0.4
60.04532	2.6
69.07068	9.0
70.06596	11.4
71.13911	0.8
75.05614	1.8
78.33981	0.5
81.04545	0.7
82.05324	0.6
83.06116	4.2
84.04507	0.5
85.02910	0.7
86.09711	100.0
93.04561	2.3
95.06099	3.3
102.05563	0.8
110.07172	67.1
112.03972	10.3
112.49685	0.5
119.04955	0.9
121.02884	2.5
122.03216	1.8
130.06520	2.2
132.04471	0.7
138.06619	0.6
139.05055	1.6
141.06595	0.9
143.11795	8.0
156.07698	77.5
157.07637	2.9
157.09726	2.7
158.06035	1.5
159.09227	0.9
162.14899	0.5
164.03262	0.5
166.06136	1.1
167.07072	3.4
169.06104	3.7
175.08684	4.2
185.07179	1.3
185.09251	1.9
187.07092	1.1
188.70615	0.5
191.03384	0.7
199.71414	0.5
209.08174	2.0
223.15585	0.6
251.15086	2.5
254.15007	2.3
269.16104	17.9
269.18884	1.0
272.16074	7.9
295.05887	1.5
296.06201	2.4
297.06760	1.4
298.07086	1.4
300.15576	21.6
307.06018	0.7
308.06476	1.7
309.07037	0.9
310.07303	1.3
322.07919	1.6
323.08502	1.2
324.08765	1.1
326.07294	2.2
327.07617	1.2
328.07980	1.7
334.07968	0.8
336.09235	0.9
338.07391	0.8
339.07690	0.8
340.07901	1.4
350.07504	1.2
351.07892	0.9
352.08496	1.6
354.09549	0.7
362.07489	0.7
364.08417	1.1
365.09311	0.7
366.14398	3.6
375.16644	0.7
379.08270	0.6
380.08432	2.1
381.08807	1.2
382.09015	3.2
384.15530	0.5
394.09344	1.7
398.09854	1.0
399.09967	0.5
400.10138	1.8
406.09039	1.2
410.09705	1.1
411.09573	0.9
412.10223	2.3
413.23871	3.0
428.10696	1.0
429.10992	0.8
430.11075	2.3
434.09702	0.6
436.10086	0.7
439.26852	1.1
454.11246	1.7
460.11649	1.1
472.12271	1.4
481.21414	0.7
484.12347	1.6
496.12289	1.5
500.12985	0.6
502.13135	1.0
514.13275	3.2
532.14423	2.0
550.15613	0.9
550.30090	1.5
568.30988	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	568.297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.2
55.05506	5.6
57.03439	4.6
59.91382	3.0
60.04528	4.7
61.02918	2.3
67.05499	11.6
69.03426	11.6
69.07058	11.3
70.06599	40.9
70.59080	2.4
71.04973	3.9
71.55479	3.6
73.02910	3.2
79.05499	5.2
81.03406	7.3
81.07048	21.1
83.05003	13.4
83.05413	2.8
83.08589	3.7
84.04499	4.1
85.02912	30.2
85.06519	2.7
91.05485	16.0
93.07049	14.2
95.04981	39.2
95.08609	11.3
97.02899	7.0
97.06522	8.2
98.97623	3.2
99.04456	8.5
99.08113	2.9
101.02387	2.7
105.07036	29.8
107.04966	3.8
107.08599	25.5
107.65551	2.5
109.02874	3.3
109.06533	16.5
109.10165	26.3
111.08093	6.4
115.07555	3.7
116.98660	3.7
119.04939	8.1
119.08605	21.4
121.02877	5.4
121.06518	3.4
121.10155	21.6
123.11711	3.9
125.09647	6.2
127.03893	6.2
128.14571	2.5
130.06540	5.5
131.08600	18.8
132.04396	3.6
133.10143	63.5
135.08047	8.3
135.11679	12.2
139.03946	3.3
145.02692	3.2
145.04976	5.8
145.10133	7.2
145.79869	2.8
147.04399	14.4
147.11687	18.6
149.13275	11.0
151.11195	5.1
153.09131	12.2
157.07632	6.6
157.09744	7.4
158.06015	7.5
159.09157	5.9
167.07085	14.8
167.14325	7.2
173.13278	41.1
175.08696	13.2
175.14827	100.0
177.05502	8.3
185.07207	3.2
185.09167	2.9
191.14325	44.9
193.06482	2.9
193.12291	3.6
193.15915	4.2
209.08127	3.7
209.11856	4.0
209.13498	4.3
209.15402	59.9
220.54222	2.4
227.09216	5.2
227.16376	22.9
267.15869	2.9
279.92969	2.5
283.04941	3.7
285.17065	3.0
295.05838	5.5
295.09546	2.6
296.06161	7.5
298.07578	3.2
300.13483	3.3
301.06058	6.2
302.10300	3.2
308.06387	6.0
309.07175	4.7
321.07373	2.9
322.07849	4.1
323.08459	4.2
325.06586	2.7
326.07266	5.1
327.08093	3.5
338.07260	5.1
340.08456	3.7
350.07379	3.3
356.08298	3.4
366.14362	6.9
368.08591	3.8
380.08490	4.0
382.09174	3.3
392.08499	5.1
410.09473	6.6
412.10242	5.5
427.09000	12.1
428.09979	3.4
429.10876	3.4
430.11243	7.7
481.20673	3.0
484.11932	4.4
514.12701	7.7
544.02649	2.9
550.28802	4.1
568.19916	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	567.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.1
55.05518	10.8
57.07083	8.8
59.05008	1.4
65.03932	2.2
67.05507	23.3
69.03437	5.8
69.07080	11.6
70.46857	1.4
77.03895	1.5
79.05500	22.3
81.07063	30.7
83.04993	1.8
83.08627	3.7
85.06561	2.7
91.05483	28.5
93.07052	48.3
95.04975	7.0
95.08614	34.8
97.06570	3.3
97.10131	1.8
98.20730	3.9
103.05549	3.2
105.04520	2.4
105.07042	58.0
107.08611	36.4
109.06544	4.9
109.10168	25.7
111.04470	1.4
115.05435	1.8
117.07015	12.6
119.08591	65.5
121.06525	3.8
121.10155	36.9
123.08040	12.3
123.11736	12.7
125.06026	3.2
128.06227	6.2
129.07025	8.9
130.07803	4.8
131.08591	24.5
133.06491	2.0
133.10135	32.5
135.08054	8.9
135.11717	15.8
137.09616	10.0
139.07590	2.0
141.06987	3.7
142.07843	9.2
143.08572	15.2
144.09351	4.4
145.10133	43.0
147.08052	18.4
147.11723	13.6
149.09659	3.7
149.13316	3.1
151.07552	10.6
153.06981	2.2
153.09096	1.5
154.07750	2.5
155.08546	8.1
156.09332	7.3
157.10133	28.7
158.10922	2.0
159.11696	24.3
161.09656	4.0
161.13275	10.5
163.11198	6.2
165.06996	3.5
165.09125	43.2
167.08620	3.5
168.09337	3.4
169.10191	12.9
170.10965	4.2
171.11726	16.5
173.13277	13.7
174.10439	1.6
175.11224	2.0
175.14861	12.7
179.08592	2.8
181.10146	5.8
181.12288	6.9
182.10912	4.3
183.11711	13.4
185.13292	10.0
187.14877	6.7
189.12819	4.5
189.16379	3.2
191.18019	2.1
193.10214	3.9
194.10983	3.3
195.11746	11.3
195.13347	1.4
196.12491	3.0
197.13292	10.3
197.14786	1.5
199.11269	1.6
199.14873	5.1
201.16492	2.9
203.14349	15.9
205.10124	2.2
207.11720	4.5
207.13828	6.9
208.12604	2.5
209.13333	12.0
209.15370	3.9
210.13982	2.2
211.14842	9.2
213.16451	3.3
221.13292	5.5
221.15367	100.0
223.14868	5.3
225.16411	4.0
233.13316	2.2
235.14861	4.6
237.16425	7.5
242.88866	1.5
247.17015	2.0
249.16470	1.7
251.17995	3.5
259.14743	1.7
263.17987	3.5
265.19550	2.6
267.21103	2.2
284.29553	7.1
285.18707	2.4
287.20181	2.8
299.20007	2.7
303.21045	1.8
313.21725	2.2
317.22772	1.9
333.25919	1.9
351.23636	1.8
352.23743	2.3
353.24658	2.2
359.27457	8.2
387.30554	3.5
407.30682	1.9
432.40302	1.5
445.31052	2.9
459.94958	1.5
475.35760	12.1
487.35867	6.5
511.35870	2.0
544.13037	1.6
549.41034	3.7
567.42010	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.1
57.03436	1.0
59.05011	0.6
63.06559	0.4
67.05508	4.6
69.03425	0.5
69.07051	0.7
70.21887	0.3
70.66528	0.8
70.66924	0.7
71.04996	0.6
79.05510	2.2
81.03418	3.2
81.07059	3.6
83.04973	0.6
83.08632	1.3
85.02917	1.4
91.05488	2.2
93.07029	2.0
95.04972	0.6
95.08604	1.1
97.02863	0.6
103.56479	0.4
105.07030	1.7
105.61644	0.4
107.08629	0.9
107.77312	0.4
109.02893	0.5
109.10189	1.9
117.07043	0.4
119.08624	1.1
121.10151	1.1
127.04001	0.5
129.07036	0.5
131.08595	1.4
133.10118	0.9
133.76480	0.4
147.11746	0.9
149.09637	0.9
149.13237	0.5
157.10143	0.7
175.11150	0.6
193.12244	0.7
197.85918	0.4
233.11417	0.9
251.12663	1.7
283.15186	11.9
307.15295	1.2
339.17770	5.7
368.14420	0.4
558.73328	0.5
567.31470	100.0
568.31812	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
53.82588	2.1
55.05510	13.5
57.03439	2.2
57.07079	10.9
62.82446	2.3
65.03937	3.2
67.05505	24.7
69.03437	9.7
69.07072	14.8
69.57908	5.8
69.58317	7.8
70.77189	2.4
77.03957	2.2
79.05498	25.9
81.07058	39.2
83.04994	3.8
83.08622	8.8
85.06538	2.9
86.11001	2.1
91.05479	30.8
93.07054	54.8
93.72015	2.0
95.04971	6.8
95.08610	45.2
97.06505	3.5
97.10177	2.8
105.07036	60.4
107.02962	2.5
107.08603	32.1
109.06526	4.3
109.10160	25.0
111.04462	5.0
111.11741	2.5
115.05516	2.4
117.07014	13.0
119.08585	70.2
121.06516	5.2
121.10149	48.5
123.08068	10.7
123.11706	15.4
125.06020	5.7
128.06203	5.3
129.05530	5.6
129.07021	8.6
130.07750	3.2
131.08595	24.4
133.10127	32.8
135.08086	8.1
135.11705	20.0
137.09624	13.8
137.13345	2.3
141.07016	4.8
142.07773	8.6
143.08569	27.1
144.09364	4.1
145.10127	49.4
147.08055	21.7
147.11702	14.1
149.09619	3.9
149.13283	3.6
151.07552	10.8
155.08591	7.1
156.09352	8.8
157.10150	32.4
158.10915	4.0
159.11687	22.7
161.09671	2.8
161.13261	8.6
163.11238	5.3
163.14857	2.8
165.09109	44.0
167.08588	3.8
169.10095	14.6
170.10852	3.0
171.11726	16.2
173.13287	12.0
175.11249	2.2
175.14874	11.4
179.08653	4.2
180.09351	3.0
181.10175	6.5
181.12212	6.0
182.10942	3.3
183.11674	11.7
185.13281	8.8
187.11168	2.2
187.14812	7.6
189.12769	4.1
191.17953	4.2
193.10136	4.5
194.10904	4.2
195.11780	11.2
196.12656	3.3
197.13298	7.0
199.14833	6.2
203.14278	11.1
207.11903	3.2
207.13857	7.4
208.12454	3.6
209.13307	10.4
209.18970	3.5
211.14857	8.0
213.16452	6.5
215.17975	4.0
219.11813	2.9
219.20959	2.2
221.13310	5.4
221.15367	100.0
223.14764	4.4
225.16321	2.5
235.14787	2.8
237.16425	6.9
239.23756	3.2
263.67032	2.4
265.19516	4.8
267.21204	2.3
284.29568	7.7
286.19382	2.4
287.20349	3.7
297.24155	2.2
353.24670	2.7
359.27341	9.3
427.51132	2.9
458.46118	2.7
475.35678	12.0
487.35687	6.4
549.40729	2.6
567.41919	90.2
568.42181	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	565.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.8
53.03935	3.4
55.05516	6.7
57.07098	6.0
59.04991	2.6
65.03949	3.9
67.05175	1.4
67.05510	20.0
69.03442	6.3
69.07070	11.7
71.00102	1.1
71.00417	2.4
71.13055	0.9
79.05500	19.8
81.03439	1.2
81.07063	25.7
83.04977	4.0
83.08627	4.9
83.35863	1.1
85.06548	3.3
91.05482	32.7
93.07053	35.6
94.78109	1.1
95.04958	7.7
95.08611	29.2
97.06522	2.2
97.10201	1.4
103.05485	4.4
105.04517	1.3
105.07036	56.9
107.08601	27.4
109.06508	6.4
109.10162	16.7
111.08121	1.2
115.05476	4.0
115.08732	1.0
117.07055	12.4
119.08592	54.8
121.06527	3.4
121.10152	37.5
123.08060	9.3
123.11716	6.3
125.05986	3.1
128.06195	6.7
129.07011	11.5
130.07803	4.5
131.08577	23.6
131.09528	1.7
133.06575	2.4
133.07683	1.2
133.10133	31.4
135.08066	5.7
135.11705	12.3
137.09665	6.4
141.06961	6.6
142.07790	16.6
143.08563	22.6
144.09364	3.7
145.10132	34.2
146.10898	1.3
147.08070	10.0
147.11716	11.0
149.09622	3.9
149.13322	1.5
151.07556	7.9
153.07024	2.8
154.07771	2.0
155.06099	1.4
155.08575	14.1
156.09375	12.2
157.10143	37.2
158.10922	6.1
159.08078	1.9
159.11707	19.4
161.09630	2.5
161.13275	6.9
163.11177	5.7
165.07022	6.0
165.09113	19.6
166.07840	2.5
167.08591	6.2
167.10655	6.7
168.09401	4.2
169.10138	20.2
170.10962	5.5
171.08141	1.1
171.11696	19.3
172.12480	2.2
173.09729	1.1
173.13264	16.6
175.11182	1.5
175.14853	6.0
178.07771	2.0
179.08569	11.9
180.09387	4.3
180.91528	1.1
181.10138	13.9
181.12163	5.6
182.10869	6.4
183.11707	17.4
184.12537	3.2
185.13269	14.2
187.11227	1.6
187.14784	6.1
189.12747	3.7
191.08553	1.2
191.10646	1.3
191.14304	2.2
192.09319	6.6
193.10152	11.3
194.10930	8.0
195.11693	17.7
196.12450	5.7
197.13277	12.2
199.11214	1.5
199.14806	8.7
201.16454	2.0
203.08600	2.1
203.14352	9.8
205.10152	4.5
206.10939	8.3
207.11749	13.9
207.13782	3.3
208.12465	5.5
209.13286	20.1
209.15233	1.3
210.14148	3.8
211.11299	1.7
211.14824	8.3
213.12857	1.4
213.16417	4.7
217.10173	4.1
217.15794	1.3
218.10948	3.0
219.11705	6.9
220.12430	5.5
221.13298	12.2
221.15431	32.1
222.14076	1.4
223.14861	8.9
225.16492	4.6
227.17999	2.5
229.10240	2.2
230.10893	2.1
231.11659	5.4
232.12482	4.3
233.13326	10.0
233.15384	3.1
234.14153	3.3
235.14790	10.9
236.15674	1.7
237.16364	6.0
239.17999	4.3
243.11842	3.1
244.12415	2.1
245.13237	7.6
246.14149	4.2
247.14792	6.0
247.17029	3.1
248.15695	3.1
249.16490	5.7
251.18025	4.6
253.19464	6.2
256.12411	1.6
257.13315	3.7
258.14124	3.0
259.14899	5.6
260.15720	3.1
261.16306	5.9
262.17313	1.5
263.17938	6.2
265.16364	1.4
265.19623	6.5
267.17908	1.3
267.21036	1.9
269.13162	1.8
271.14813	3.4
272.15668	2.2
273.16495	4.7
275.18011	5.1
276.18781	1.2
277.19519	3.5
279.21082	2.4
281.19000	1.2
283.14868	1.9
283.20593	3.8
285.16449	3.5
287.17978	3.5
289.19614	2.4
291.21259	1.4
295.14865	1.3
297.16425	2.5
299.17853	2.1
301.19525	3.5
303.21036	1.9
305.22577	1.4
313.19449	1.6
315.21002	2.1
317.22720	1.5
323.18073	1.7
327.21362	1.4
329.22635	2.2
331.24255	6.8
333.22287	1.6
335.23550	2.3
343.24292	1.6
357.25684	5.2
373.25638	2.0
383.27808	1.3
385.28937	3.2
407.29471	1.4
425.28375	1.4
473.34140	11.3
485.34259	3.2
491.32996	2.3
509.34171	3.3
547.39398	9.2
565.40466	100.0
566.40704	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84516	0.8
65.03927	1.0
71.55206	1.7
72.16750	0.9
72.81590	0.9
91.05469	2.8
96.96040	0.9
98.97590	2.8
115.05482	1.5
117.05769	1.3
117.06989	1.9
118.06553	20.2
119.04942	2.4
128.98660	1.5
130.06529	1.5
132.08107	4.9
134.98349	1.0
137.24487	0.8
142.06583	2.2
143.07355	1.7
144.08104	10.9
146.06026	59.1
146.99673	1.1
147.04414	5.5
159.08049	1.3
159.09177	6.6
167.07043	0.9
170.06013	3.9
170.99644	1.0
177.05521	1.7
188.07085	100.0
189.07477	1.4
205.09755	34.5
219.01740	2.7
234.19856	0.9
237.02818	3.0
355.06894	2.0
390.70724	1.0
511.01056	1.1
547.09491	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.01865	1.3
55.05517	4.5
55.92264	0.8
57.03434	1.0
57.07079	1.8
65.03934	1.3
67.05508	9.9
69.03435	2.3
69.07072	9.1
70.09756	4.0
71.01334	1.4
71.04984	2.1
74.10400	1.0
79.05497	7.6
79.35128	0.9
81.03426	3.7
81.07065	18.0
83.05000	1.5
83.08628	4.6
85.02888	2.2
86.09706	1.1
91.05494	8.4
93.07048	18.8
95.05000	4.4
95.08610	19.3
97.06572	1.1
97.10190	2.4
99.04451	2.4
101.02408	2.2
105.07037	15.6
107.04957	2.0
107.08607	32.9
109.02869	1.4
109.06551	1.4
109.10170	13.7
110.17470	0.9
111.08083	1.5
112.61736	0.9
117.07026	1.7
119.08587	18.0
121.02900	2.2
121.06504	2.5
121.10162	19.8
121.11021	1.2
123.08067	2.0
123.11725	8.8
125.09687	1.2
127.03930	61.3
129.06982	1.4
131.08569	5.0
133.06499	1.4
133.09232	1.6
133.10146	14.3
135.08073	4.2
135.11703	14.8
137.09697	1.1
137.13237	1.6
139.11171	1.3
143.08598	2.8
145.04973	3.8
145.10158	7.3
147.08112	1.5
147.11693	11.9
149.09633	2.8
149.13284	18.2
156.09436	1.1
157.10181	3.5
159.11688	6.0
161.09572	4.5
161.13252	7.2
163.11183	1.9
163.14893	2.8
166.74083	0.9
169.10197	2.0
171.11749	3.7
173.13229	4.9
175.11244	3.1
175.14847	12.2
177.16435	3.4
183.11687	2.1
185.13345	2.4
187.14812	6.7
189.12732	1.2
189.16408	16.9
191.17995	2.6
197.13332	2.1
199.14871	2.8
201.12843	1.5
201.16422	2.6
203.14392	2.5
203.17935	6.7
205.15895	1.2
209.13374	1.6
211.14841	1.2
213.16466	4.1
213.59196	0.9
215.17943	2.2
217.15977	4.7
219.17551	1.2
227.18021	2.3
229.16086	1.6
229.19551	1.8
231.17429	12.1
241.19521	2.2
245.19109	3.6
253.19614	1.8
255.21111	2.9
267.21057	3.0
271.20575	1.7
281.22543	1.4
285.22086	4.6
294.05127	1.5
294.20856	1.0
295.06052	4.6
297.22318	1.1
299.23856	1.6
301.14273	1.0
307.06049	2.8
309.07675	1.7
321.07645	3.0
325.07278	3.9
325.25186	1.5
337.07114	3.9
338.95450	1.0
349.06952	3.0
351.08890	2.2
363.08588	1.5
379.08188	4.2
391.08249	2.0
397.09180	2.5
403.33704	6.7
409.09174	2.9
415.09863	1.1
421.34689	28.6
427.10391	3.3
429.26230	1.6
433.08896	1.9
445.10965	1.0
457.10861	1.6
469.11780	1.8
481.11337	1.4
499.12573	1.7
511.12476	3.4
529.13660	2.2
547.14856	1.7
547.29755	1.4
547.38031	1.8
565.38922	100.0
566.39270	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.7
53.03942	3.2
54.44215	1.5
55.05520	9.8
56.95512	1.4
57.07076	5.7
65.03943	3.4
67.05515	15.9
69.03437	4.0
69.07072	12.7
69.33755	4.5
69.34171	7.9
70.11652	1.6
72.55064	1.5
74.67000	1.3
79.01528	1.4
79.05501	13.7
81.07059	19.2
83.04988	3.2
83.08643	4.0
85.06553	3.7
91.04966	2.4
91.05486	24.8
93.07053	32.3
95.04980	5.4
95.08616	24.5
97.06541	3.6
103.05489	1.8
105.07044	50.0
105.39931	1.6
106.22118	1.6
107.08601	25.7
108.11659	1.6
109.06542	5.0
109.10162	13.9
115.05457	2.8
117.07021	10.4
119.08592	46.6
121.06483	2.5
121.10159	35.5
123.08057	8.2
123.11718	5.3
128.06209	6.5
129.07002	13.3
130.07799	4.5
131.08575	24.3
133.06473	2.1
133.10146	30.1
135.08080	6.0
135.11693	9.9
137.09645	7.0
139.11093	1.9
141.07039	4.6
142.07787	11.9
143.08577	26.7
144.09358	3.1
145.10133	28.0
147.08047	9.5
147.11728	9.4
149.09604	3.9
151.07565	6.5
153.06958	4.8
154.07762	3.0
155.08563	11.1
156.09317	10.3
157.10144	32.5
157.11456	1.8
158.10925	4.1
159.11728	16.9
161.09645	3.0
161.13342	4.3
163.11237	4.0
165.07005	5.7
165.09125	15.5
167.08569	7.7
167.10696	5.3
168.09355	3.8
169.10162	17.5
169.59691	1.5
170.10991	4.4
171.11697	20.7
172.12517	2.5
173.09641	2.2
173.13268	15.0
175.11195	2.6
175.14896	4.8
179.08606	7.1
180.09421	3.7
181.10164	11.9
181.12123	3.8
182.10965	5.0
183.11697	13.7
184.12560	3.2
185.13272	14.8
187.14890	4.1
189.12723	3.9
191.08662	2.2
191.14401	2.4
192.09413	3.0
193.10158	10.2
194.10913	7.8
195.11716	15.4
196.12511	5.0
197.13283	13.7
199.14862	11.5
201.16510	1.9
203.14311	10.1
205.10075	3.5
206.10977	6.6
207.11761	15.4
207.13632	2.6
208.12576	5.4
209.13266	17.2
210.14009	2.4
211.14827	9.4
212.15430	1.9
213.16432	4.5
217.10176	2.5
217.15829	1.7
218.10768	2.5
219.11794	4.5
220.12517	4.4
221.13283	12.3
221.15436	36.1
222.14034	4.1
222.65350	1.5
223.14807	10.1
225.16463	6.9
231.11751	4.3
232.12483	4.4
233.13272	5.9
233.15411	4.0
234.14146	3.8
235.14857	9.9
237.16487	4.7
239.18001	4.2
243.11809	2.8
244.12639	2.2
245.13373	6.0
246.14177	4.1
247.14859	7.2
247.17110	2.7
249.16403	3.1
250.17317	1.8
251.17996	5.0
253.19560	4.2
257.13217	3.3
259.14981	3.1
260.15643	3.1
261.16342	8.7
263.18042	4.7
265.19662	8.1
271.14758	2.6
273.16299	4.0
274.17300	2.1
275.18124	4.5
277.19476	7.4
279.21243	3.1
283.14996	1.7
283.20743	2.1
285.16382	4.4
287.17792	2.9
289.19580	5.6
291.20889	3.1
298.17041	2.0
299.17993	2.6
301.19479	3.8
303.21039	1.8
317.22662	3.2
325.19516	3.3
329.22513	1.5
331.24347	4.7
352.23773	1.9
357.25775	3.4
373.25388	1.8
385.29059	2.9
473.34329	11.1
485.34866	2.3
509.33960	1.9
547.39227	9.4
565.40479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.4
55.05507	2.7
56.96581	1.0
57.03434	1.8
65.20309	0.9
67.05505	11.3
69.03429	2.7
69.07068	1.8
71.04972	1.2
71.55246	1.6
79.05506	4.9
81.03398	5.1
81.07053	6.4
83.04990	1.2
83.08616	2.1
85.02909	2.8
86.19881	0.9
91.05482	4.6
93.07047	3.5
95.04984	3.1
95.08614	3.1
97.02892	2.4
97.06542	1.2
97.10158	1.1
105.07065	3.2
107.04966	2.0
107.08613	2.4
107.84746	1.0
109.02897	3.3
109.10151	5.1
111.04475	1.1
111.08043	1.0
112.95842	1.0
117.07044	1.2
119.04963	1.9
119.08611	2.3
121.02872	3.3
121.06444	1.3
121.10198	1.2
127.03931	2.9
129.07050	1.4
133.10164	1.4
139.03925	1.0
140.49580	0.9
145.10132	2.2
147.04453	1.4
147.11684	1.0
149.02370	4.4
159.11711	1.0
173.11713	1.4
189.11314	1.0
193.12161	1.0
195.02858	1.6
196.07111	1.0
196.08900	0.9
211.13284	1.3
229.14359	2.3
245.07840	1.9
255.15967	1.5
273.15012	1.6
294.05313	1.9
295.06119	6.8
301.14450	2.6
307.06000	3.6
309.07642	1.4
317.13647	15.7
319.15469	1.2
321.07626	3.7
325.07071	4.1
333.07672	1.4
335.09036	1.3
337.07132	4.1
345.13168	2.9
349.07043	5.3
351.08832	2.9
361.07077	2.5
375.17776	1.2
379.07959	6.2
391.08130	2.0
397.09259	1.9
409.09009	4.9
415.09995	1.2
427.10425	5.3
433.09393	1.5
445.11243	1.2
451.10187	1.6
457.11157	2.0
461.17950	2.2
469.11383	2.8
479.18857	17.7
481.11310	1.7
493.11411	2.3
499.12488	1.9
511.12347	4.6
521.19983	66.6
522.20557	1.7
529.13721	3.8
529.28156	1.6
534.51398	1.0
547.29138	2.1
565.18933	100.0
565.28204	4.4
566.19128	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.4
55.05507	2.7
56.96581	1.0
57.03434	1.8
65.20309	0.9
67.05505	11.3
69.03429	2.7
69.07068	1.8
71.04972	1.2
71.55246	1.6
79.05506	4.9
81.03398	5.1
81.07053	6.4
83.04990	1.2
83.08616	2.1
85.02909	2.8
86.19881	0.9
91.05482	4.6
93.07047	3.5
95.04984	3.1
95.08614	3.1
97.02892	2.4
97.06542	1.2
97.10158	1.1
105.07065	3.2
107.04966	2.0
107.08613	2.4
107.84746	1.0
109.02897	3.3
109.10151	5.1
111.04475	1.1
111.08043	1.0
112.95842	1.0
117.07044	1.2
119.04963	1.9
119.08611	2.3
121.02872	3.3
121.06444	1.3
121.10198	1.2
127.03931	2.9
129.07050	1.4
133.10164	1.4
139.03925	1.0
140.49580	0.9
145.10132	2.2
147.04453	1.4
147.11684	1.0
149.02370	4.4
159.11711	1.0
173.11713	1.4
189.11314	1.0
193.12161	1.0
195.02858	1.6
196.07111	1.0
196.08900	0.9
211.13284	1.3
229.14359	2.3
245.07840	1.9
255.15967	1.5
273.15012	1.6
294.05313	1.9
295.06119	6.8
301.14450	2.6
307.06000	3.6
309.07642	1.4
317.13647	15.7
319.15469	1.2
321.07626	3.7
325.07071	4.1
333.07672	1.4
335.09036	1.3
337.07132	4.1
345.13168	2.9
349.07043	5.3
351.08832	2.9
361.07077	2.5
375.17776	1.2
379.07959	6.2
391.08130	2.0
397.09259	1.9
409.09009	4.9
415.09995	1.2
427.10425	5.3
433.09393	1.5
445.11243	1.2
451.10187	1.6
457.11157	2.0
461.17950	2.2
469.11383	2.8
479.18857	17.7
481.11310	1.7
493.11411	2.3
499.12488	1.9
511.12347	4.6
521.19983	66.6
522.20557	1.7
529.13721	3.8
529.28156	1.6
534.51398	1.0
547.29138	2.1
565.18933	100.0
565.28204	4.4
566.19128	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	9.4
59.52978	2.5
65.03960	2.8
70.65752	7.3
76.10966	2.7
81.03384	3.1
85.02930	2.3
94.94171	2.3
107.04978	4.3
108.68705	2.6
119.04952	11.7
121.02868	47.4
145.02829	5.5
171.04544	2.9
173.02405	4.2
177.01851	4.8
179.03348	2.6
187.03862	3.3
189.01884	12.7
191.03403	7.2
195.02922	7.1
201.05421	3.4
203.03418	16.0
215.03421	11.3
217.05003	4.9
219.02823	6.6
221.04463	4.5
227.29324	2.7
231.02806	2.9
233.04431	4.0
243.03021	3.8
245.04602	3.6
255.02704	3.0
268.07266	5.3
275.35489	2.6
281.08072	5.4
283.06012	7.4
289.08759	2.7
293.08151	3.5
294.05252	22.4
295.06036	71.5
296.06735	6.2
297.07602	7.8
306.08972	3.1
307.06076	48.6
308.06830	15.6
309.07605	14.9
313.07059	4.0
317.08154	5.5
319.06085	3.7
320.06931	5.7
321.07559	38.7
322.08340	9.6
323.09167	8.3
325.07071	55.1
325.10358	2.3
329.08386	3.4
333.07568	20.5
334.08356	6.2
335.09030	19.9
337.07108	58.4
339.08868	4.6
345.07541	16.3
347.09305	5.2
349.07068	40.3
351.08646	18.0
355.08032	8.8
359.09073	3.3
361.06982	23.5
361.10822	3.7
363.08713	22.7
367.08240	6.3
373.07083	11.3
375.08646	8.6
379.08167	55.4
387.08841	4.4
391.08136	59.2
399.08676	4.3
403.08066	5.5
409.09253	91.5
415.08081	4.9
421.08832	4.5
427.10287	100.0
428.10626	5.1
433.09393	13.4
439.10156	3.9
445.09433	8.2
457.10904	10.5
463.10187	7.0
475.10699	10.2
481.11252	24.3
493.11160	16.9
499.12213	11.7
511.12357	61.7
529.13306	23.2
547.14349	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	565.1559
Annotation	apiin
Peak:m/z	Relative Intensity
52.99635	0.2
57.03435	1.2
59.04990	0.3
68.99810	0.3
69.03437	2.3
69.66198	1.5
73.02938	0.4
73.98689	0.2
80.85754	0.3
85.02916	1.5
87.04483	1.5
91.05475	0.8
97.02914	1.5
99.03624	0.2
107.04924	0.3
109.02967	0.3
109.57056	0.3
111.00792	0.3
115.03927	1.3
119.04926	0.7
121.02857	1.7
133.04973	1.2
137.02393	0.3
145.02853	1.2
149.02295	1.5
153.01837	4.4
153.74385	0.3
159.04437	0.7
169.06516	0.8
183.02957	0.3
187.03903	0.3
187.07581	0.3
189.01801	0.3
197.06058	0.8
203.03381	0.3
206.91745	0.3
213.05392	0.4
215.03661	0.3
215.07053	4.6
225.05446	0.4
229.04810	0.3
241.05115	0.3
243.06520	2.7
253.05006	1.3
271.06039	100.0
272.06348	1.7
283.06061	0.8
287.05536	18.5
294.05170	0.4
295.06122	1.4
296.06540	0.3
307.06110	1.6
308.07004	0.3
309.07477	0.6
313.07092	1.2
321.07602	1.1
325.07108	1.3
333.07684	0.5
335.09491	0.4
337.07248	1.5
349.07086	1.2
351.08563	0.5
361.07037	0.4
367.08347	0.4
379.08206	1.3
391.08267	0.8
397.09213	0.7
403.08658	0.3
409.09280	0.9
421.08984	0.4
427.10233	1.0
433.11316	5.6
451.09647	0.4
457.11115	0.5
469.11618	0.6
481.11157	0.4
493.11230	0.5
499.12213	0.5
511.12244	1.2
529.13226	0.6
559.50769	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.0
70.94994	6.5
72.58852	2.2
100.19115	2.3
107.04890	3.3
119.04963	8.6
121.02882	41.9
124.17928	2.3
145.02835	3.6
163.03888	2.9
176.01100	3.2
177.01857	6.9
185.02211	2.1
187.03833	2.8
189.01834	12.0
191.03380	5.6
195.02927	6.3
199.03918	2.3
203.03386	13.6
207.02957	3.1
215.03441	6.9
217.05042	4.4
219.02859	7.6
229.05040	3.9
233.04424	2.1
243.03087	4.2
267.06616	5.0
268.07358	4.8
279.06665	7.1
281.08240	4.5
283.06104	6.3
293.08096	4.4
294.05215	21.4
295.06070	86.2
296.06647	7.1
297.07431	6.1
305.08023	3.5
307.02594	5.2
307.06036	69.0
307.09555	4.2
308.06799	15.0
309.07617	18.9
313.07297	6.8
317.08130	3.1
319.05963	8.8
320.06729	5.5
321.03839	4.0
321.07559	37.8
322.08322	12.8
323.05545	5.0
323.09143	5.7
325.07101	95.2
333.07669	19.5
335.05560	4.2
335.09155	14.8
336.06274	4.7
337.07101	62.8
337.11145	4.3
345.07687	6.2
347.09137	13.0
349.07089	49.3
350.07483	4.2
351.08664	30.7
355.08023	12.0
357.07669	4.6
360.06702	2.6
361.07156	21.9
363.08517	13.6
365.10281	8.0
367.08194	11.1
373.07013	5.5
375.08630	12.5
377.10486	4.1
379.08197	100.0
385.07013	4.9
387.08716	6.8
389.10309	4.5
391.08163	34.6
393.09631	3.8
397.09235	56.4
401.10181	4.6
403.08279	29.1
405.09619	8.0
409.09271	32.4
415.10498	15.3
417.09662	3.2
419.11362	5.5
421.09323	22.6
427.10483	25.8
429.09821	4.1
433.09280	20.6
439.10434	19.2
445.11292	25.8
451.10428	25.9
457.11362	36.1
463.10205	3.9
469.11368	35.8
475.10373	9.3
481.11310	24.7
493.11185	22.4
499.12299	17.2
511.12534	29.0
529.13544	35.2
547.14471	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	565.1555
Annotation	Corymboside
Peak:m/z	Relative Intensity
55.01876	5.6
55.21371	3.3
69.22055	36.0
75.78188	3.1
85.02899	7.0
89.17049	3.8
98.21513	6.9
107.04978	6.8
119.04953	17.1
121.02872	45.2
122.00830	3.7
163.03850	4.0
175.03940	4.6
177.01903	5.3
179.03490	4.6
189.01866	16.8
191.03476	5.1
195.02817	6.2
199.03885	4.2
203.03395	25.2
204.15970	3.8
207.02890	12.9
208.36813	3.3
213.05452	3.9
215.03397	8.8
217.05081	8.7
231.02841	5.0
245.04445	4.3
255.03014	6.1
268.07309	6.7
279.06592	8.2
281.04684	4.3
281.08078	6.3
283.06006	9.2
293.07990	6.5
294.05374	28.1
295.06042	100.0
295.09341	6.3
296.06808	7.9
297.07547	10.3
307.06015	62.4
308.06598	15.0
309.07715	18.6
313.06995	6.9
317.08035	5.0
319.05960	8.4
320.06772	11.2
321.07544	45.3
322.08313	12.2
323.09064	11.7
325.07083	79.2
333.07544	25.1
335.09039	19.3
336.06348	5.7
337.07068	64.2
345.07654	5.8
347.08896	17.0
349.07034	57.9
351.08600	26.6
355.08057	9.5
355.69034	4.1
361.06995	28.0
361.10870	4.9
363.08578	18.0
365.10110	7.4
367.08145	11.8
373.06848	9.7
375.08737	17.1
379.08145	95.2
385.07016	4.1
387.08505	7.0
389.10367	6.3
391.08008	36.8
397.09265	66.1
401.10254	5.2
403.08307	19.8
405.09335	4.1
409.09229	50.7
415.10077	20.8
417.09909	4.0
421.09344	21.1
427.10269	30.3
433.09262	23.6
439.10275	23.2
445.11359	39.6
451.10300	35.2
457.11279	33.0
463.10416	9.6
469.11346	44.4
475.10364	20.5
481.11444	41.4
493.11246	35.6
499.12427	26.7
511.12344	48.8
529.13556	44.4
547.14783	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	565.1193
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03954	2.2
55.01862	1.9
57.03437	1.0
59.83311	0.4
61.02930	1.4
65.03932	0.6
67.05516	0.4
68.99796	1.0
69.03442	7.6
70.76120	1.2
71.04995	1.0
73.02917	1.7
81.03429	9.1
81.07036	0.6
83.01367	0.4
84.04516	0.5
85.02914	11.3
87.00844	4.7
91.03978	0.5
91.05492	0.7
92.02647	1.4
93.03397	1.1
97.02900	4.1
99.04462	2.1
105.01868	2.1
109.02896	6.1
117.01854	1.4
119.04967	0.9
121.02882	2.4
127.03926	8.5
129.01807	0.9
131.04977	0.6
137.06035	0.5
139.03928	1.3
139.84203	0.4
145.02838	0.5
145.04953	1.8
151.03902	1.6
153.01831	6.7
159.02919	3.5
165.01822	0.8
189.01888	0.6
201.05560	0.6
203.03453	1.2
205.04897	0.5
215.03307	0.6
217.04907	0.6
228.04156	1.0
229.04921	2.6
231.02831	0.7
231.04976	0.8
236.09642	0.4
244.93393	0.5
245.04503	1.2
245.42877	0.4
246.05275	1.6
257.04526	2.0
257.63086	0.5
271.06152	1.4
273.03989	1.5
274.04794	3.9
284.03452	0.9
285.03897	3.9
287.05536	0.7
295.06042	2.0
302.04245	11.3
307.05957	2.1
317.06592	100.0
318.06995	1.3
321.07623	1.7
325.07101	2.5
326.99893	0.5
333.07504	0.6
335.09021	0.5
337.07074	1.9
347.09103	0.5
349.06995	1.8
351.08829	1.2
355.08044	0.5
361.07053	1.0
363.08603	0.9
373.07040	0.7
375.08804	0.6
379.08163	2.9
387.08792	0.6
391.08139	1.0
397.09186	1.5
409.09064	2.1
421.09421	0.4
427.10513	2.0
433.09341	0.7
439.10394	0.6
451.10263	0.9
457.10645	0.6
469.11392	1.1
481.11182	0.9
511.12369	2.2
529.13440	1.5
546.41663	0.5
565.19836	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
55.01858	4.2
55.05507	11.1
57.03447	5.1
60.72596	2.7
61.02926	5.8
62.30467	2.6
62.52768	2.4
67.05512	24.7
69.03432	5.4
69.07080	19.4
69.52399	21.2
71.04984	4.1
79.05502	29.6
81.03450	8.4
81.07065	72.3
83.05003	5.5
83.08619	10.2
85.02900	6.6
86.78867	2.7
91.05483	21.3
93.06556	2.7
93.07034	16.0
95.04962	6.6
95.08620	19.0
97.06554	5.9
101.44793	2.5
105.07040	22.8
107.04955	8.0
107.08587	14.4
109.06541	22.3
109.10194	6.8
117.07042	3.8
118.46283	2.8
119.08578	16.3
119.81659	3.0
120.08073	2.9
121.10146	9.0
123.08057	5.7
123.11723	2.7
127.25051	3.0
131.08574	9.8
133.10147	12.2
135.11749	6.6
137.09622	4.2
145.10156	11.2
147.11696	13.9
149.09654	5.3
149.13284	7.3
159.11726	11.3
161.09601	3.0
163.11205	5.3
165.12851	3.1
177.12836	3.2
209.11719	2.9
227.12723	2.8
229.14270	3.0
257.18982	3.1
269.17520	7.6
275.20068	38.6
281.23825	2.8
293.20923	6.7
316.16257	3.6
349.23749	75.5
367.24808	100.0
499.12411	3.5
546.30341	9.9
564.31714	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	563.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.8
55.01861	3.0
55.05510	17.8
57.03441	11.9
57.07067	4.0
65.03943	2.6
67.05511	69.7
69.03438	2.2
69.07076	20.0
69.57369	7.0
69.57808	6.5
71.05001	4.4
79.05072	2.3
79.05500	36.1
81.07061	100.0
82.66762	2.1
83.04987	4.7
83.08619	11.7
83.18405	1.7
85.06541	5.0
91.05488	35.0
93.07055	40.9
95.04962	5.0
95.08609	44.4
97.06516	6.9
97.10158	3.8
99.08112	2.4
105.07036	37.3
105.07701	3.9
105.55792	2.0
107.08598	26.2
109.06490	2.3
109.10165	19.8
114.35220	1.9
115.39832	2.0
116.48991	2.0
117.07006	3.8
119.08580	25.1
121.10141	30.2
123.08104	3.6
123.11719	24.4
127.07536	1.9
131.08588	11.2
133.10138	9.2
135.11702	13.4
137.13298	4.8
137.66508	1.9
145.10149	7.6
147.11700	55.8
149.13255	6.2
157.10072	3.2
159.11714	6.9
161.13231	3.2
163.14842	3.3
165.12729	21.5
173.13295	6.2
175.14796	3.5
177.12726	2.2
183.13783	2.6
187.14821	3.4
193.12306	3.2
229.14330	3.6
243.21022	7.0
261.22168	34.2
267.15936	32.6
279.23212	5.0
285.16971	38.3
317.24725	5.2
335.25793	37.2
353.27161	3.6
435.32321	3.2
453.33652	4.4
471.34619	3.7
527.37091	6.2
530.77002	2.2
545.38495	21.4
563.39807	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	563.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01872	2.5
55.05519	19.3
55.86159	1.3
57.03445	8.0
57.07071	3.0
67.05511	62.4
68.24558	1.2
69.03444	1.4
69.07078	18.9
70.99297	3.5
71.05000	3.4
79.05502	44.5
81.03439	1.8
81.07066	100.0
82.51059	1.6
83.04988	4.3
83.08634	11.0
85.06541	4.2
91.05492	29.4
93.07055	38.8
95.04971	6.4
95.08616	45.7
97.06535	5.6
97.10175	3.5
99.08099	2.8
105.07041	39.0
105.86156	1.5
107.08604	28.2
109.06512	3.2
109.10166	19.6
110.08538	1.5
117.07021	7.2
119.08586	28.8
119.91255	1.4
121.10152	30.0
123.08088	4.4
123.11727	25.1
131.08585	9.2
133.10144	10.2
135.11720	11.7
137.13260	3.9
145.10135	9.0
147.11707	46.6
149.09569	1.5
149.13306	8.8
157.10091	2.6
159.11700	6.3
161.13229	3.2
163.14871	4.5
165.12779	20.6
173.13289	6.6
175.11208	3.1
177.16425	2.4
183.13828	2.8
187.14848	3.1
193.12245	2.6
200.04382	1.7
201.16516	1.8
204.29858	1.7
229.14430	7.6
233.22729	2.0
243.21127	7.0
261.22168	33.6
267.15952	36.0
270.28415	1.8
279.23190	6.2
285.16983	34.3
317.24866	9.5
335.25845	48.2
353.26938	2.6
453.33868	2.2
471.35095	2.3
506.09491	1.5
527.37128	5.8
545.38342	19.8
563.39130	6.3
578.08282	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.0
53.76413	1.5
54.21223	1.4
55.01859	1.8
55.04210	1.3
55.05517	17.9
56.25208	1.4
57.03429	6.2
57.07089	2.2
58.79281	1.6
59.40413	1.5
63.69881	1.6
67.05509	58.6
69.07068	17.7
69.54134	10.6
71.04999	3.2
79.05494	35.7
81.03414	3.2
81.07062	100.0
83.04967	5.5
83.08622	10.2
85.06553	5.7
89.10596	1.6
91.04977	2.2
91.05489	29.2
93.07050	33.2
95.04971	6.3
95.08614	42.8
97.06523	6.3
97.10184	3.3
99.08092	3.5
103.05488	1.7
105.07037	36.2
107.08596	24.0
109.06528	5.0
109.10160	17.4
117.07001	4.1
119.08584	28.1
121.10154	25.5
123.08074	5.1
123.11713	25.7
129.07043	2.2
131.08589	8.6
133.10135	10.8
135.11723	12.0
137.09612	2.0
137.13226	3.9
143.08577	2.8
145.10124	9.0
145.91879	1.8
147.11696	47.5
149.13281	8.5
157.10130	2.1
159.11722	5.9
161.13303	4.5
163.14804	4.5
165.12775	27.5
171.11795	2.1
173.13283	4.1
175.11119	2.2
175.14914	1.9
183.13766	3.7
187.14833	1.9
190.84607	1.8
201.16388	1.8
229.14343	5.0
243.21062	6.7
261.22195	30.0
267.15930	31.1
279.23239	5.2
285.16980	37.9
287.20151	1.7
305.20676	1.6
317.24823	7.9
335.25876	40.0
353.26962	3.7
365.20145	1.6
453.33557	3.9
459.94870	1.7
471.35168	1.8
527.36975	3.9
545.38507	17.8
562.25488	1.7
563.39160	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	563.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.3
55.01876	4.3
55.05518	38.4
57.03443	11.9
57.07077	7.8
65.03942	7.6
67.05171	7.1
67.05511	93.4
69.03437	7.0
69.07081	25.7
69.86725	3.5
71.05006	10.8
71.55020	4.8
71.55376	5.2
79.05500	58.0
79.45323	3.4
81.03424	17.3
81.07066	100.0
83.04985	18.5
83.08621	23.6
85.02915	5.0
91.05488	56.3
93.07059	68.2
94.07375	4.5
95.04980	17.5
95.08620	62.8
97.06554	14.2
97.10186	11.9
99.08100	5.3
105.07049	50.8
107.04970	6.9
107.08599	37.3
109.06541	5.9
109.10170	33.5
111.04443	7.4
111.08121	6.7
117.07041	13.1
119.08621	28.2
121.06522	5.4
121.10163	26.1
123.08091	6.3
123.11715	15.8
123.49754	3.9
125.09673	11.3
129.07008	13.3
131.08577	28.5
133.10132	25.3
135.08083	6.8
135.11751	23.3
137.09634	7.4
138.03069	3.8
143.08615	8.8
145.10194	19.0
147.08046	5.3
147.11694	23.9
149.09663	11.7
149.13211	9.4
151.11317	4.6
153.12788	4.8
157.10144	14.1
159.11720	15.0
161.13268	8.4
163.11200	11.8
171.11714	9.3
173.09616	6.8
173.13210	8.7
175.11252	8.8
175.14891	4.6
179.14326	4.1
181.12213	6.6
183.11650	6.5
185.13225	6.9
187.14835	7.8
189.11226	7.1
193.12248	15.1
195.11652	3.8
197.13292	3.9
209.11786	5.7
211.13272	19.7
227.12843	12.0
229.14259	5.1
261.22272	15.1
267.15918	8.9
269.11029	3.7
277.21619	6.6
279.23288	4.8
285.17014	14.2
299.23560	4.0
301.25308	6.5
303.23343	6.2
317.24683	5.8
335.25803	16.8
435.32346	5.9
453.33624	11.3
527.37360	26.7
545.38348	59.2
563.39642	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	563.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.3
55.01874	3.6
55.05512	0.8
56.96572	0.4
57.03439	3.0
61.02924	2.9
67.05504	1.0
68.99770	2.1
69.03433	14.4
69.07078	8.8
69.47440	0.4
69.74944	1.9
69.75363	1.0
71.01359	0.9
71.04984	1.9
73.02920	2.7
79.05485	1.8
81.03424	14.0
81.07045	1.1
83.04947	0.6
83.08622	0.8
84.08139	2.4
85.02913	38.6
87.00306	0.7
87.00835	12.9
87.04465	0.7
91.03928	1.3
91.05481	1.3
93.07033	1.5
95.04945	1.4
95.08604	1.0
97.02902	10.5
97.10193	0.8
98.21477	0.6
99.04462	6.3
103.03909	0.5
105.01198	0.7
105.01872	8.1
105.07063	0.7
107.04961	59.6
107.08595	2.5
109.02888	11.9
109.06516	0.9
111.04418	1.3
117.01842	1.9
117.64916	0.5
119.08541	0.7
121.02823	0.5
121.06494	1.0
123.04453	2.4
125.06036	0.8
125.09618	1.4
127.03928	24.4
127.47572	0.5
129.01845	1.3
131.04915	0.8
131.08525	1.1
135.04451	2.5
135.11754	0.6
139.03915	4.7
140.04916	0.6
141.05463	2.6
145.04962	8.8
145.06265	0.6
145.06485	0.5
145.10138	0.7
147.02887	1.0
149.06042	2.4
149.09686	2.6
151.07544	3.9
153.05476	16.2
157.10149	0.6
159.02904	8.3
159.08157	0.5
163.11174	1.0
165.05490	0.8
167.07001	0.7
167.10703	5.6
173.06047	0.5
173.09610	4.1
177.09213	0.8
189.03995	0.7
191.10689	12.3
191.12350	1.0
203.10649	0.6
209.11743	48.0
211.41293	0.5
213.04041	0.5
214.80437	0.5
215.07307	0.4
221.11755	3.2
231.04984	3.9
241.08374	0.5
242.58827	0.5
251.34532	0.4
259.09845	0.6
285.10205	0.6
297.14917	2.0
315.15915	100.0
316.16336	1.3
339.15454	1.0
355.15640	0.8
357.16937	1.7
363.16086	0.6
383.32724	0.8
423.18304	0.6
460.27267	0.6
563.30798	0.6
570.01056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.8
55.01862	3.2
55.05513	18.3
57.03436	8.5
57.07082	4.5
65.03941	2.8
67.05510	67.4
69.03449	2.0
69.07078	23.4
70.99516	4.5
71.04984	4.5
71.08612	3.0
74.68237	1.9
79.05500	41.8
81.03432	4.3
81.07064	100.0
83.04987	6.1
83.08624	11.7
85.06545	4.6
91.05487	31.7
93.07047	44.2
95.04963	7.4
95.08056	3.3
95.08611	44.3
97.06530	6.5
97.10177	6.9
99.08113	4.0
105.07036	34.0
107.04997	2.4
107.08604	31.9
109.06509	3.9
109.10159	23.6
111.08103	2.0
116.70966	1.7
117.07018	6.7
119.08598	28.9
121.10148	28.0
123.08086	5.2
123.11713	21.1
125.09640	2.9
127.07529	1.8
129.07037	3.8
131.08588	12.2
133.10149	13.6
135.11685	19.0
137.13304	4.0
145.10107	9.3
147.11700	38.8
149.09618	2.7
149.13263	7.5
151.11067	2.2
157.10124	2.6
159.11676	6.5
161.13281	4.2
163.14772	2.4
165.12756	19.1
173.13274	8.3
175.11153	2.6
183.13847	4.1
187.14851	3.2
193.12228	3.5
209.11728	3.9
229.14369	4.1
243.21175	6.3
261.22153	24.9
267.15945	30.2
277.21539	2.4
279.23193	3.5
285.17001	24.2
311.25943	3.1
317.24838	6.9
335.25797	36.3
471.34540	4.5
527.37305	8.1
545.38361	21.6
563.39679	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	563.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62694	0.2
52.81494	0.2
53.03965	0.2
55.01869	0.2
56.05053	0.2
57.03429	0.2
66.26150	0.2
68.99818	0.6
69.03436	0.6
69.07108	0.2
70.14813	0.2
70.80954	0.2
71.55609	0.2
79.05500	0.2
81.03436	0.6
81.07079	0.6
85.02444	0.2
85.02892	1.1
87.00859	0.3
91.05484	0.2
93.07060	0.3
93.49203	0.2
94.44280	0.2
95.08627	0.3
97.02923	0.5
99.04505	0.2
105.03393	0.2
107.04965	0.2
107.08594	0.3
109.02903	0.6
126.05499	0.2
127.03918	1.0
131.01323	0.5
137.02399	0.5
145.04947	0.3
147.04463	0.3
149.02406	0.2
151.03900	0.2
153.01826	2.0
155.05025	0.2
159.02850	0.3
171.02937	0.2
178.10861	0.2
199.03979	0.4
200.04845	0.2
203.07161	0.2
207.02910	0.3
213.05637	0.3
215.03346	0.3
216.04210	0.6
217.04926	0.3
227.03452	0.5
228.04245	0.3
229.04970	2.1
239.03304	0.2
243.02962	0.2
244.03700	7.4
254.02370	0.2
255.02904	3.3
256.03372	0.4
257.04443	2.0
259.06021	2.2
271.02362	1.1
272.03165	2.6
283.02399	30.2
284.02982	0.8
285.01105	0.2
285.03809	0.9
286.04700	0.2
287.05527	5.8
300.02664	9.9
313.07016	0.4
314.07465	0.3
315.04999	100.0
316.05389	1.2
395.11151	0.2
477.10468	1.5
500.01917	0.2
536.41290	0.2
562.32898	0.2
563.10358	2.2
563.33057	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58583	0.2
55.01865	0.2
59.09032	0.2
67.05513	0.2
68.99783	0.5
69.03420	0.5
69.41451	1.5
73.02921	0.2
73.35606	0.1
79.05495	0.2
81.03398	0.7
81.07046	0.3
84.08153	1.4
85.02891	0.8
91.05478	0.3
91.21310	0.2
95.08605	0.2
97.02866	0.2
99.04451	0.2
103.05450	0.3
105.07010	0.2
106.96895	0.2
106.97943	0.2
107.04923	0.2
107.08611	0.2
109.02869	0.4
115.98721	0.2
127.03904	0.8
128.54689	0.2
132.05721	1.6
133.06473	0.6
135.04410	0.3
140.00993	0.4
142.69742	0.2
153.01816	0.2
159.02852	0.3
168.00534	2.3
171.62749	0.2
186.01654	1.8
187.01454	0.2
198.06862	0.2
210.01666	0.2
226.06310	0.3
229.04982	0.8
231.05026	0.2
254.05721	0.5
255.06412	0.2
257.04498	2.1
269.04538	0.8
269.08020	0.4
270.05231	0.5
271.06012	1.0
272.06790	1.2
282.05188	0.6
283.06027	0.3
285.03961	7.3
297.07547	0.4
299.05527	7.7
300.06302	57.2
301.06735	1.1
302.04254	0.5
315.08636	100.0
316.08997	1.2
316.33780	0.2
317.06488	1.0
383.32516	0.3
464.58466	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1767
Annotation	Glycyroside
Peak:m/z	Relative Intensity
51.97659	0.1
69.03461	0.1
69.93526	0.3
69.93924	0.3
79.05501	0.2
81.59963	0.1
85.02920	0.3
91.05484	0.2
97.06561	0.1
98.20854	0.1
107.04955	1.3
108.02080	0.2
118.03369	0.2
118.04168	2.2
119.04992	0.2
128.25067	0.1
133.02898	0.2
133.06461	0.3
133.10138	0.1
136.01559	0.5
137.02342	0.9
147.04398	0.5
154.02615	0.7
156.05704	0.2
163.03909	0.3
170.07263	0.2
181.06508	0.6
182.07257	0.4
185.09583	0.1
195.07959	0.2
197.05951	1.3
198.06726	0.7
213.09125	4.9
225.05499	0.6
226.06268	2.7
237.05482	4.0
241.08580	0.2
253.02934	0.1
253.04964	3.8
254.05751	5.3
269.08093	100.0
270.08447	1.5
297.04132	0.3
299.05612	0.2
309.03851	0.1
341.46332	0.1
395.11401	0.3
425.12488	0.3
431.13406	0.9
435.14597	0.2
449.12704	0.2
479.13248	0.2
500.16547	0.1
538.85687	0.2
563.16864	0.2
563.31647	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.2
53.03943	6.9
55.01880	5.2
55.05518	21.9
57.03437	3.9
57.07082	3.0
57.12369	1.2
64.90823	1.2
65.03957	4.0
67.05511	84.8
69.03442	3.3
69.07077	17.8
71.05002	43.4
72.45291	1.2
73.02901	1.6
77.03930	1.3
79.05502	62.4
81.03441	3.8
81.07066	100.0
82.07394	1.3
83.04982	12.0
83.08631	13.1
85.06539	5.8
85.07698	1.1
91.05491	60.8
93.07053	59.2
95.04981	8.1
95.08615	38.4
95.09234	1.4
97.06553	8.4
97.10197	4.1
99.08111	2.4
102.03158	1.1
105.04567	3.0
105.07038	36.7
107.04996	3.0
107.08612	29.2
107.09307	2.1
109.06566	4.6
109.10160	17.7
111.04528	2.2
111.08110	4.2
115.05480	1.2
117.07021	11.4
119.08579	15.1
121.06526	1.5
121.10163	24.1
123.11710	16.8
125.09650	3.1
128.06262	1.6
129.05464	2.2
129.07050	3.3
131.08583	17.6
133.10146	31.3
133.11072	2.3
135.08084	3.2
135.11725	14.4
137.09741	1.3
139.11246	2.1
143.08594	3.7
145.10141	9.5
147.11710	7.8
149.09781	1.4
149.13281	11.4
151.11169	9.9
157.10173	2.0
159.11717	12.9
161.13319	3.7
169.10202	2.0
169.12325	1.5
171.11766	1.5
173.13269	5.6
175.11287	1.2
175.14801	1.9
177.12856	5.2
183.12004	2.0
183.13834	17.7
183.15326	1.4
185.13361	1.9
187.13335	2.4
187.14915	2.1
191.10675	1.3
195.13919	5.3
201.16460	1.2
209.19064	1.3
210.23672	1.1
223.15077	1.4
227.12967	2.4
227.16403	2.1
261.22266	4.7
267.16010	1.9
269.17752	2.5
277.21820	2.1
283.19226	2.9
285.17136	3.7
293.21310	1.6
315.23526	1.4
317.25125	1.8
327.23300	1.6
335.26144	3.5
361.27487	2.3
363.25491	3.5
382.28156	1.3
469.33459	1.6
508.48178	1.3
517.39026	22.2
525.35980	1.4
529.38953	9.1
543.36816	7.1
561.41357	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.4
55.05513	16.3
57.03430	15.2
60.28767	4.3
64.17445	4.7
65.59225	4.6
67.05505	31.6
69.03439	5.0
69.07056	9.0
70.66123	4.5
79.05501	28.7
81.03429	100.0
81.07057	37.1
83.04962	13.8
83.08630	24.9
85.02904	12.6
91.05493	29.8
93.07040	21.7
95.04974	30.7
95.08592	8.5
97.06526	5.3
97.10172	7.1
105.07035	19.1
107.04967	11.6
107.08558	6.4
109.06519	8.2
109.10122	6.0
111.08081	9.1
119.08579	15.5
121.10190	12.7
125.09660	5.2
129.07013	14.0
131.08595	18.5
145.06503	6.4
147.07999	7.0
147.11708	16.7
149.09709	7.0
153.03401	4.8
157.10144	14.6
175.11171	13.5
179.91060	6.2
193.12236	34.7
211.13379	25.3
229.58437	5.0
267.15927	93.5
267.68454	5.1
285.17001	22.8
287.49527	5.7
367.22705	11.6
385.23724	10.9
403.24988	7.6
433.25873	7.2
459.27429	51.0
477.28647	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	561.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.7
53.03954	8.3
55.01867	3.4
55.05515	25.6
57.03422	3.7
57.07074	3.7
59.04993	1.5
60.65606	1.2
65.03947	4.9
67.05508	89.4
69.03431	5.0
69.07072	20.4
69.69142	5.8
71.04999	48.7
71.08634	1.3
77.03959	1.5
79.05499	65.4
81.03423	3.4
81.07061	100.0
83.04980	11.9
83.08635	15.6
85.06536	6.1
87.04501	1.5
91.05487	60.5
93.07049	66.2
95.04989	9.5
95.08613	43.3
97.06515	9.7
97.10168	6.9
99.08087	3.1
105.04539	2.0
105.07040	37.2
107.04982	6.9
107.08601	36.6
109.06532	3.0
109.10164	20.8
109.10849	2.4
111.04436	3.3
111.08092	5.2
111.41628	1.1
115.05474	1.4
117.07023	13.3
119.08582	17.1
121.06497	2.0
121.10151	28.8
123.08090	1.4
123.11713	16.4
125.09646	4.8
129.05487	2.8
129.07040	3.5
131.08585	20.1
133.10138	33.2
133.74066	1.2
135.08058	2.7
135.11688	18.1
143.08566	4.8
145.06461	1.8
145.10114	11.1
147.08046	1.9
147.11711	8.1
149.09644	2.7
149.13271	12.2
151.11230	11.0
153.12772	1.4
157.10147	3.0
159.11682	10.9
161.13271	5.4
163.11197	3.6
163.14807	1.4
167.08672	1.5
169.10149	2.5
171.11745	3.2
173.13298	4.0
175.11337	1.3
177.12770	2.8
183.11993	1.7
183.13809	16.8
185.13263	2.5
187.13324	1.5
187.14841	2.9
195.13824	4.6
199.14923	2.3
227.12788	4.0
227.16367	1.6
243.21170	1.8
253.17928	1.4
259.20581	2.4
261.22211	4.4
267.15918	2.2
269.17462	3.4
271.20712	1.4
275.20102	1.7
277.21710	1.8
283.15646	2.3
283.19012	2.8
285.17029	3.3
315.23306	3.5
317.24750	1.3
327.22754	1.5
335.25809	4.8
351.25299	1.3
363.25360	1.7
437.33578	1.9
451.32333	2.6
469.33167	1.5
501.39444	1.5
517.31720	1.8
517.38977	21.4
525.35492	2.8
529.38702	8.5
543.36615	9.4
561.41296	66.1
562.41858	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.1
51.60947	0.8
53.03946	4.9
55.01875	3.0
55.05514	24.9
57.03440	4.1
57.07081	2.4
59.05006	2.1
60.76221	0.9
61.02934	1.5
65.03944	4.1
67.05509	92.0
69.03431	3.4
69.07068	20.2
69.07410	1.3
71.04997	55.2
71.08646	1.6
73.02924	0.9
79.05498	65.2
81.03439	3.4
81.07063	100.0
83.04984	12.2
83.08628	10.9
85.06542	6.7
87.04503	1.2
91.05486	66.4
93.07050	67.6
95.04971	7.5
95.08611	39.1
95.09241	1.1
97.06540	9.4
97.10194	3.4
99.04465	0.9
99.08101	1.7
103.05476	1.2
105.04546	2.1
105.07037	34.1
107.04980	1.6
107.08602	30.1
109.06549	4.0
109.10159	18.5
111.08103	4.6
115.05405	1.2
116.93331	1.1
117.07014	9.8
119.08591	15.9
119.09363	1.4
121.06548	1.0
121.10151	24.7
123.08107	3.0
123.11723	18.3
125.09633	1.8
129.07056	1.8
131.08574	14.1
133.10138	33.1
135.08066	1.4
135.11697	17.0
137.09683	1.7
137.13312	1.2
139.12721	1.1
143.08582	2.0
145.10129	6.3
147.11708	7.6
149.09659	1.7
149.13286	9.8
151.11172	14.0
152.90627	0.9
153.12808	1.8
157.10167	1.9
159.11699	12.4
161.13321	4.5
163.11127	1.5
163.14896	2.1
165.01826	4.8
165.12778	1.2
171.11728	1.6
173.13315	3.9
175.14914	2.7
177.12730	6.8
183.02983	2.1
183.13832	17.1
185.13306	1.3
187.13290	2.4
187.14835	1.8
189.16522	1.2
191.14334	1.1
193.12334	1.0
195.13823	6.0
202.89087	1.1
202.91238	1.1
203.18155	1.1
209.11449	1.0
212.11984	1.1
227.12799	1.1
227.16420	1.4
231.06496	1.2
236.85788	1.0
243.21271	1.0
253.17955	1.2
257.17654	1.4
261.22168	4.9
269.17657	2.9
283.19257	3.2
285.07742	2.9
285.17108	4.9
289.21970	1.0
293.21240	4.3
317.24680	1.8
335.25885	2.0
361.27567	3.3
363.25439	2.5
505.92572	1.0
512.55890	1.2
517.38910	29.7
529.38904	10.6
529.46387	1.5
530.80725	1.0
543.36969	1.9
561.41663	71.8
562.42303	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60570	2.3
53.03958	5.4
55.01860	3.6
55.05508	19.8
57.03426	8.0
57.07082	3.0
67.05508	67.7
69.03413	2.9
69.07068	18.0
71.04992	8.5
71.08634	2.9
79.05495	63.7
81.03429	7.2
81.07060	80.8
83.04977	8.0
83.08610	16.7
88.03781	2.0
91.05492	31.5
92.84937	2.8
93.07053	81.7
95.04946	10.8
95.08611	74.5
97.02882	3.1
97.06510	7.4
97.10180	6.0
99.04432	3.4
99.08082	3.2
103.05495	2.5
105.04520	2.7
105.07036	22.0
107.04987	12.1
107.08598	54.0
109.06523	3.8
109.10178	22.3
117.07035	16.7
119.08589	25.1
121.06506	6.6
121.10155	37.0
123.11724	10.4
125.05988	4.4
129.07063	2.9
131.08548	8.9
133.10127	11.1
135.11697	56.8
136.00491	2.3
137.09625	3.5
137.13191	2.7
145.10130	37.0
147.11670	8.4
149.13239	9.2
157.10077	2.5
159.11662	6.9
161.13295	4.1
163.11185	58.2
163.14844	6.1
173.13234	6.0
181.12253	8.6
183.13803	2.2
185.13255	2.2
187.14836	3.1
209.11726	3.8
213.22882	2.3
227.12784	100.0
243.21130	7.8
261.22189	34.0
271.97064	2.4
277.21637	4.8
283.15387	32.4
317.24799	12.4
332.21875	2.2
335.25818	68.0
351.37173	2.5
385.26587	2.4
450.64563	2.6
488.93793	2.5
543.36798	45.2
561.39600	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.01870	4.3
55.05516	16.6
57.03450	8.0
57.07072	2.6
60.34589	1.4
63.27508	1.4
65.03933	1.9
67.05175	2.4
67.05510	39.7
69.07087	14.5
69.07428	3.0
70.61898	1.8
71.04996	3.0
74.06308	1.7
74.12840	1.5
79.05502	37.8
81.03419	2.4
81.07067	44.4
83.04985	3.5
83.08628	10.1
85.06544	2.5
91.05491	19.3
91.83660	1.6
93.07050	55.8
93.37627	1.5
95.04964	7.7
95.08611	54.7
97.02885	3.3
97.06512	5.2
99.04461	2.5
99.46956	1.4
104.16286	1.8
105.07044	16.4
107.04949	6.7
107.08604	37.6
107.65688	1.6
109.10164	12.9
111.04423	1.9
117.07030	10.3
119.08589	14.4
121.06475	5.1
121.10153	23.0
122.50657	1.6
123.11708	6.2
129.06960	2.5
131.08588	8.5
133.10123	8.0
135.08035	2.1
135.10690	3.1
135.11707	45.5
137.09592	1.8
143.08618	2.5
145.10141	26.6
147.11659	4.0
149.09537	1.9
149.13261	7.1
151.11212	1.9
153.12840	1.9
159.11681	5.3
161.13283	3.0
163.11209	43.0
163.14784	3.0
173.13237	4.7
175.14845	2.4
181.12242	12.1
187.14790	3.7
191.00475	1.9
209.11778	3.5
227.12799	100.0
243.20987	4.9
261.22171	23.2
283.15433	36.7
302.42758	1.9
317.24759	9.7
335.25818	55.0
543.36975	29.9
561.38141	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	561.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50768	2.2
59.13385	2.4
70.78046	7.2
75.80686	2.3
85.57043	2.2
91.05479	3.1
96.73602	2.3
98.38464	2.3
98.97603	4.4
118.06561	19.7
126.65514	2.5
128.37564	2.2
132.08142	6.1
142.06528	2.7
144.08133	11.7
146.06020	59.2
146.07108	4.8
147.04439	8.2
147.06367	2.5
159.09227	7.0
170.06044	5.4
177.05551	3.4
188.07083	100.0
205.09738	37.5
237.02939	3.8
431.08344	3.2
485.12930	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	560.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46590	0.4
51.63716	0.4
55.01860	0.8
55.05518	2.5
56.96950	0.4
57.07061	2.0
61.02924	0.7
65.03935	0.8
67.05501	1.1
69.03420	0.8
71.55187	0.7
79.05486	1.0
81.03410	1.4
81.07056	0.9
83.08659	0.5
85.02900	2.0
87.00824	1.0
91.05428	0.6
91.73067	0.5
93.07042	0.6
95.04926	0.6
95.08563	0.7
97.02895	1.3
105.01900	0.5
105.07023	0.9
107.04908	0.4
109.02906	0.7
109.10194	0.7
121.02852	2.3
121.06495	0.4
121.10073	0.6
127.03940	1.3
133.10094	0.6
149.02345	100.0
150.02635	0.8
167.03389	1.5
178.36853	0.5
203.07004	0.5
205.08601	19.5
221.08194	1.0
267.16107	0.5
277.14377	9.0
295.15424	0.7
349.71777	0.5
560.26306	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
55.05523	2.0
57.03446	0.5
57.07076	2.2
61.02928	0.4
65.03925	0.7
67.05517	0.7
69.03433	1.3
69.07072	0.5
69.23280	0.4
69.23676	3.2
71.04986	0.3
73.06534	0.5
79.05503	1.0
81.03429	2.1
81.07047	1.3
85.02910	2.6
87.00826	0.9
91.05486	1.2
93.07035	0.6
95.04984	0.4
95.08595	0.6
97.02881	0.5
105.07057	0.9
107.04959	0.5
107.08625	0.4
109.02889	0.6
109.06547	0.4
109.10138	0.4
117.07016	0.3
119.08607	0.8
121.02888	2.2
121.03769	0.3
121.10178	0.5
127.03989	0.7
129.98257	0.3
133.10168	0.4
143.36609	0.4
145.31061	0.3
147.11703	0.5
149.02354	100.0
150.02641	0.7
167.03415	1.0
190.05013	0.5
205.08623	18.4
221.08049	1.2
256.77039	0.4
258.64050	0.4
276.20526	0.3
277.14407	8.6
295.15314	0.8
307.98148	0.4
365.41495	0.4
376.89673	0.4
384.40747	0.4
463.06714	0.4
560.37354	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45313	1.8
55.01444	2.0
55.01866	8.2
57.03443	3.2
65.03937	2.7
69.03426	4.5
69.99721	5.1
70.00125	3.0
70.06573	2.3
73.02933	2.3
76.89571	1.5
79.05494	4.4
81.03416	7.7
84.08142	1.7
85.02915	11.9
91.05489	5.3
93.03421	3.6
95.01373	1.9
95.04971	5.4
97.02890	14.5
98.20807	2.3
98.97607	1.8
103.03940	2.3
103.05491	3.3
105.03407	3.0
105.07016	3.3
107.04959	33.4
109.02875	14.5
111.04488	2.0
115.05495	2.1
117.07020	3.2
119.04937	12.1
121.02879	31.1
121.06503	12.2
123.04430	11.7
127.03945	3.3
129.07039	3.8
129.41718	1.9
131.04953	10.8
133.02832	4.6
133.06490	8.2
135.00763	2.3
135.04425	29.0
137.02341	2.9
137.80151	1.8
139.03983	1.9
141.06998	2.6
145.02803	2.6
145.06485	6.8
147.04411	28.9
147.05498	2.0
147.08072	3.4
149.02315	4.8
149.06001	3.9
151.03944	6.8
153.01840	4.0
157.06509	4.6
159.04449	11.9
161.02319	3.6
161.05998	14.0
163.03928	4.6
165.01811	14.1
165.05518	3.0
167.07085	3.3
169.06543	2.8
171.04382	2.9
173.05977	19.0
175.03860	7.9
175.07500	4.3
177.01822	28.3
177.05444	11.6
183.02937	5.1
183.61328	1.5
185.05981	5.0
187.03905	11.8
187.07558	4.6
189.01863	29.3
189.05505	6.9
191.03410	14.3
191.14343	1.7
193.01376	2.9
193.04944	2.6
195.02919	30.6
197.06012	4.3
199.03946	4.1
201.01845	7.0
201.05455	28.7
203.03387	25.9
203.07120	3.2
204.00600	2.3
205.01364	6.8
205.04991	4.8
207.02879	13.2
211.04033	1.8
213.05507	5.7
215.03394	26.1
215.06921	2.6
217.01411	4.2
217.04980	7.3
219.02905	28.1
221.00827	5.1
221.04419	8.3
223.02437	4.2
225.05502	4.5
227.03467	10.6
227.06999	2.5
229.01427	2.3
229.04964	35.8
231.02896	88.4
231.06586	6.1
232.03322	2.0
233.04462	5.6
237.03821	1.8
239.03442	3.9
241.01347	3.7
241.04854	7.5
243.02905	55.9
243.06508	12.8
245.04430	8.3
247.02426	2.2
247.05942	3.1
249.03961	25.1
253.04977	7.8
255.02930	16.9
257.04465	35.0
259.02438	7.3
259.06006	4.3
261.03967	26.1
267.02957	5.3
269.04434	15.1
271.02579	3.9
271.06003	13.0
273.03940	44.8
275.05502	3.1
279.04904	3.0
281.04462	8.8
281.07266	2.0
283.02435	3.3
283.06067	4.6
285.03952	100.0
287.05457	2.2
289.03375	3.6
291.04959	21.3
293.04514	2.8
295.06006	2.6
297.03955	31.3
297.07565	21.5
299.05505	19.9
301.03265	1.9
301.06970	2.5
303.05008	5.8
307.04636	2.8
309.03497	15.3
309.07385	7.8
311.05435	5.5
313.07043	4.1
315.04947	17.1
317.06735	2.2
321.07568	2.6
323.05566	4.7
327.04996	76.2
339.04984	19.2
339.08673	3.0
341.06927	1.9
345.06134	24.8
351.04840	3.0
351.08643	37.3
357.06067	21.4
363.07114	83.9
364.07703	2.0
369.05927	12.2
375.06961	10.9
381.09686	18.0
387.07159	16.8
391.08151	2.6
393.08893	24.1
405.08414	63.3
409.09143	3.3
411.10818	16.9
417.09659	13.4
423.09265	28.2
427.10168	7.1
429.11899	61.0
435.10965	2.1
441.10358	42.7
447.10757	38.2
459.10596	8.6
465.11920	16.0
477.11844	16.2
483.12952	26.6
489.11765	5.4
495.12854	32.8
507.13065	17.3
513.13702	1.8
525.13861	21.5
543.15021	27.2
561.16022	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	560.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	1.0
57.03399	2.4
61.02886	1.9
64.36386	0.5
67.05478	1.1
68.04976	0.7
69.03429	4.7
70.06568	1.1
70.08729	2.7
71.01321	0.7
71.04975	0.5
73.02885	1.6
76.84206	0.6
81.03397	1.6
82.06561	0.8
84.08112	1.5
85.02914	8.0
86.09668	1.0
91.05448	0.7
97.02914	3.4
98.21515	0.7
109.02827	0.7
119.04955	1.5
121.02890	5.1
121.03670	1.0
122.03231	1.2
127.03899	1.8
129.20314	0.5
134.04628	5.3
152.05681	1.7
165.02330	5.4
167.02589	0.9
175.09842	0.8
181.05469	1.3
182.04982	100.0
183.05212	1.1
183.06761	0.7
189.01854	1.6
190.03136	0.8
191.03383	0.6
193.67000	0.5
194.04985	3.5
195.02951	1.6
200.09219	1.4
201.10095	0.7
203.03426	2.7
204.03806	0.7
205.05396	4.3
207.02953	1.5
216.04704	1.7
219.07077	1.3
221.04503	0.7
224.06075	1.1
231.07019	10.6
248.09685	28.6
266.10733	53.0
267.11053	0.9
279.06653	0.8
283.06094	1.6
284.06445	1.2
292.07147	0.8
293.08218	1.4
295.06042	10.0
295.09341	0.7
296.06412	7.7
297.07745	1.0
298.08075	0.7
303.09866	0.7
307.05988	8.1
308.06451	5.6
309.04269	0.9
309.07434	3.8
310.08087	2.1
320.06647	1.3
321.07587	5.6
322.08002	4.2
323.05615	1.1
323.09027	0.9
325.07074	5.1
326.07495	4.0
333.07855	1.8
334.07858	1.2
335.05646	1.2
335.09305	2.0
336.06009	1.2
336.09595	2.1
337.07135	2.3
337.10831	0.9
338.07626	2.2
347.09372	1.2
348.12430	2.2
349.07001	2.7
349.10898	0.9
350.07330	4.1
351.08810	1.9
352.09320	1.8
355.12128	0.8
360.12750	0.8
361.07108	1.5
361.10904	4.0
362.07535	1.8
363.08600	1.5
364.09180	2.0
373.06952	0.7
374.07605	1.1
375.08377	1.1
378.13492	1.4
379.08151	2.1
379.12241	0.7
380.08707	3.3
380.13736	1.1
391.08270	2.3
392.08505	3.9
394.10049	1.3
396.14413	0.8
398.14896	9.1
398.19211	0.9
403.12085	2.0
404.08398	1.3
409.09457	2.0
410.09552	4.4
420.14542	1.4
421.09421	1.1
422.09366	3.3
427.10822	1.3
428.10666	3.4
428.15997	42.9
429.16229	1.4
434.09702	0.7
440.10001	3.8
444.14554	1.2
462.15848	1.7
463.14673	1.1
464.10538	2.8
476.10507	0.8
480.16724	3.1
481.15460	1.2
482.00900	0.7
482.11667	4.0
488.10690	1.2
492.18051	0.7
494.12323	1.9
498.17609	8.8
506.11874	3.7
524.12585	3.4
525.14160	0.9
542.15149	8.7
560.20599	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	559.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	12.8
57.07062	4.3
59.34808	1.3
67.05183	1.6
67.05513	26.8
69.06721	1.8
69.07076	24.5
69.19244	12.1
71.08642	2.0
79.05495	3.1
81.06588	1.9
81.07063	35.6
82.93657	1.1
83.08632	13.0
85.06536	1.8
88.07613	1.4
91.05466	2.8
93.07031	3.4
95.08614	72.5
97.10177	18.9
105.07047	3.0
106.73071	1.3
107.08591	1.7
109.10162	32.2
109.63784	1.2
111.11724	12.2
119.08585	3.1
121.10137	2.5
123.11721	14.4
123.57923	1.3
133.10156	3.4
135.11684	1.6
137.13263	13.7
147.11674	2.6
151.14905	1.5
161.13243	1.6
175.00304	1.2
193.19562	18.6
211.20589	100.0
217.19492	5.5
229.05438	1.2
235.20505	3.1
239.23697	5.5
253.21617	3.8
271.22690	12.6
289.23862	1.6
355.10492	1.3
446.59131	1.4
495.35770	1.3
512.79224	1.3
559.36023	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
54.05499	1.0
54.30747	0.9
55.05510	8.2
57.07069	3.9
67.05179	1.7
67.05509	25.5
69.06723	1.5
69.07070	18.7
71.08628	2.5
71.28024	2.3
79.05485	3.4
81.06587	1.7
81.07061	35.5
83.08626	13.1
91.05463	3.8
93.07044	3.2
95.08612	66.4
97.10173	15.9
105.07034	1.7
107.08599	1.7
109.10160	25.3
110.81084	0.9
111.11726	12.9
119.08576	2.9
121.10117	3.1
123.11723	18.3
125.17154	1.0
133.10107	2.1
135.11685	1.7
137.13255	11.5
147.11708	2.2
151.14824	2.3
153.67114	1.0
161.13263	1.5
179.14317	1.1
183.17383	2.3
193.19524	18.7
211.20576	100.0
217.19446	6.4
219.27547	1.2
235.20610	3.9
247.34618	1.0
253.21695	5.0
271.22711	12.2
456.53769	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.5
56.05033	4.0
57.03436	4.0
57.25533	2.1
59.68362	1.9
61.02927	3.8
61.68908	1.8
65.03918	3.8
67.05505	3.9
69.03418	6.0
70.06598	3.3
71.55733	3.6
75.22361	2.1
81.03423	4.7
82.06561	3.6
84.08143	8.4
85.02907	13.5
86.09702	3.5
87.04454	2.0
89.32616	1.8
91.05476	2.2
97.02876	4.4
107.04971	5.5
109.02888	3.6
119.04966	13.2
121.02877	38.8
122.03225	5.0
127.03914	2.3
133.06519	3.2
134.04616	4.7
145.02855	6.6
147.04431	5.6
158.63698	1.9
165.02290	6.5
175.03960	2.0
177.01794	6.1
179.03436	3.9
182.04979	100.0
184.13318	1.8
189.01859	15.5
189.05516	2.5
191.03427	6.6
193.04953	2.1
194.05042	3.8
195.02863	6.6
197.06090	2.4
199.03986	3.7
201.05397	3.2
203.03380	13.8
204.03682	4.4
205.05211	5.7
207.02885	11.3
215.03458	4.2
217.04977	5.7
219.02928	5.0
221.04343	3.7
226.64563	2.3
227.03285	2.2
229.04865	4.8
230.08173	5.6
231.06966	13.6
233.04359	3.0
245.04594	2.0
248.09644	26.4
255.02824	2.4
266.10727	59.2
267.06442	3.4
268.07129	4.9
269.07639	2.8
279.06497	6.1
280.07074	3.8
281.08063	5.8
283.06082	16.9
284.06476	7.0
293.08090	4.4
294.05124	4.7
294.08511	3.3
295.06030	85.0
296.06436	38.6
297.07562	9.6
298.08356	2.6
302.08566	2.2
305.08456	4.3
306.08170	4.0
307.06015	74.0
307.09470	5.2
308.06403	34.7
309.07449	32.5
310.07947	8.7
313.07111	4.2
314.07504	3.0
318.08221	5.9
319.05963	8.3
319.09418	3.7
320.06592	8.6
321.07663	40.8
321.11087	3.1
322.08124	20.6
323.05441	2.3
323.09000	7.2
324.05920	3.5
324.09396	3.0
325.07068	45.4
326.07443	28.9
330.11282	15.1
331.09167	4.5
331.12399	4.0
333.07547	15.1
334.07971	6.8
335.05557	3.3
335.09033	18.6
336.05832	4.4
336.09464	9.5
337.06989	14.6
337.10788	8.6
338.07394	13.6
339.08652	4.0
342.11438	3.2
343.09698	7.1
347.09091	7.2
348.12576	31.0
349.06998	26.0
349.10852	12.8
350.07376	21.4
351.08575	17.0
352.08963	5.9
354.13339	4.9
355.12100	7.8
359.09219	3.1
360.12518	14.9
361.06903	5.3
361.10757	53.3
362.07455	7.2
363.08609	9.4
364.08896	11.2
365.10358	2.8
366.06653	4.1
366.14099	9.4
367.11987	4.1
373.07068	5.5
374.07544	5.6
375.08676	6.1
376.08694	6.4
377.10208	3.5
378.06799	3.8
378.13434	22.2
379.07953	8.7
379.12292	11.1
380.08527	14.9
386.07715	4.0
391.07932	13.6
391.19824	2.1
392.08459	20.4
394.09641	3.1
396.14429	10.3
397.12939	3.0
398.15018	10.3
402.13385	5.7
403.07312	2.3
403.11865	23.0
404.08572	7.9
405.09732	5.3
409.09128	8.1
410.09485	23.4
414.13330	4.5
415.11755	3.0
420.14490	23.5
421.08524	4.5
422.09393	20.2
426.13297	6.4
427.10693	8.6
428.10498	18.8
428.16010	43.3
433.12872	6.4
435.10547	3.8
439.10223	4.8
440.10773	20.9
444.14313	12.7
445.13019	10.3
446.09558	3.3
448.10724	3.4
450.15573	4.7
458.11603	3.0
462.08841	3.4
462.15359	25.3
463.14215	11.9
463.63522	2.4
464.10175	12.3
476.10730	5.7
480.16602	36.4
481.15741	10.1
482.11542	18.8
488.10483	4.6
494.11343	4.1
498.17673	94.2
506.11841	14.5
512.12555	4.1
514.13910	2.9
516.18439	3.2
524.12531	20.4
542.16614	90.0
550.62299	2.5
560.17981	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	559.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.2
55.01862	5.4
55.05518	35.9
57.03429	6.7
57.07060	4.6
58.90468	3.7
61.77232	3.3
65.03950	7.5
67.05179	6.6
67.05511	100.0
69.07068	30.4
71.04994	10.2
75.03618	3.9
79.05068	6.0
79.05502	96.9
81.03398	10.4
81.07067	90.9
83.04979	16.6
83.08617	14.0
85.06518	6.7
91.05491	79.4
92.91262	3.9
93.07053	100.0
95.04993	21.9
95.08620	62.5
97.06550	9.4
97.10186	8.1
105.06402	5.2
105.07043	62.7
107.05003	6.1
107.08614	40.1
109.06536	5.1
109.10171	23.9
117.07021	18.7
119.08585	36.8
121.10117	21.0
123.08070	11.9
123.11687	4.8
128.06180	5.0
129.06985	15.5
129.55658	4.2
131.08580	28.3
133.10167	19.5
135.11703	9.9
142.07755	6.8
143.08571	18.2
145.10112	19.5
147.08002	5.2
147.11696	39.1
149.13301	6.0
155.08606	4.1
157.10124	8.0
159.11694	15.5
161.09579	4.7
161.13269	17.3
163.14774	4.4
165.01849	7.8
169.10098	4.2
169.27658	3.3
171.11703	28.6
173.13326	11.8
175.11319	4.1
183.02809	6.4
189.12741	10.7
199.14893	4.8
203.58931	3.8
207.13820	23.0
261.22272	10.4
279.16196	4.8
281.17520	38.4
291.19736	4.4
335.25946	42.6
341.24698	4.9
403.47375	4.1
449.33902	4.6
477.32834	3.9
525.56152	4.7
527.37402	22.3
541.39105	57.1
559.40887	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05294	1.8
55.05515	15.9
57.07079	4.4
61.19567	2.0
67.05513	32.8
69.07075	25.5
69.85352	7.8
71.08614	3.5
79.05491	6.9
81.07062	48.8
83.08614	15.3
91.05480	5.7
93.07044	6.2
95.08612	84.2
97.10176	21.8
105.07023	5.7
107.08620	3.6
109.10160	38.0
111.11755	15.9
111.77625	1.6
119.08580	2.6
121.10163	3.1
123.11718	21.6
133.10097	2.8
137.13245	14.8
161.39754	1.9
193.19527	23.8
211.20581	100.0
217.19568	3.9
217.85770	1.8
220.70145	2.2
235.20520	2.6
237.22260	2.0
253.21664	4.6
271.22821	9.0
437.96866	2.2
559.34882	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	559.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	12.1
57.07060	4.9
60.28334	1.3
67.05188	2.4
67.05513	33.5
69.07069	25.4
71.08634	2.5
71.28041	2.1
76.80107	1.2
77.32249	1.1
79.05502	7.2
81.07065	48.6
83.04967	1.4
83.08636	17.0
91.05471	4.3
93.07053	7.9
95.08617	89.8
96.08886	1.3
96.99634	1.1
97.10194	19.8
101.03922	1.2
105.07027	4.6
107.08566	3.6
109.10166	33.7
111.11732	13.2
119.08583	3.9
121.10142	3.6
123.11723	17.8
129.05464	2.2
133.10129	5.3
134.96835	1.1
135.11703	2.5
137.13243	11.0
147.11711	2.2
151.14819	2.9
155.28975	1.2
161.13216	1.9
181.15906	1.9
193.19543	17.7
201.31841	1.4
211.20590	100.0
217.19492	5.1
223.89735	1.2
235.20540	3.5
237.43434	1.2
252.63477	1.3
253.21591	5.0
271.22586	9.2
319.76489	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.0
55.01867	4.5
55.05307	2.9
55.05515	31.6
57.03436	11.6
57.07065	5.6
65.03950	6.5
67.05511	96.6
69.03410	3.4
69.07066	23.3
69.58033	16.2
71.04994	5.7
71.08642	3.5
79.05496	98.2
79.05965	4.6
80.05843	3.0
81.03411	9.4
81.06584	4.9
81.07062	92.6
83.04969	14.1
83.08625	13.7
85.06547	3.2
91.04972	5.5
91.05489	63.7
93.07050	100.0
95.04984	18.6
95.08615	69.5
97.06528	7.9
97.10171	6.2
98.21528	3.1
103.05437	3.4
105.07043	50.4
107.04951	8.6
107.08603	38.9
109.06495	9.0
109.10181	22.5
114.72222	3.0
117.06998	15.4
119.08582	38.0
121.06512	2.8
121.10132	23.8
123.08068	7.0
123.11712	10.7
128.06221	3.3
129.05476	3.0
129.07024	18.3
130.07858	3.2
131.08588	16.1
132.67815	2.6
133.10118	19.1
135.11682	14.5
143.08571	11.7
145.10139	19.2
147.11681	37.3
149.13249	8.7
159.11707	10.7
161.09647	4.0
161.13272	16.1
163.32741	2.8
169.10054	5.4
171.11694	32.6
173.13248	5.5
189.12764	10.6
197.13336	3.9
207.13858	29.9
212.20923	6.2
223.36017	2.8
225.14706	3.1
261.22134	13.5
279.15970	3.8
281.17508	42.8
317.24661	3.6
335.25815	70.0
449.34354	5.3
467.35101	3.8
541.38928	80.2
559.39954	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	559.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.9
55.01877	22.0
55.05514	50.1
57.03430	10.4
59.04988	2.8
65.03951	5.4
67.05508	82.5
68.09292	2.2
69.03417	6.3
69.07073	35.4
71.04993	7.0
71.55091	2.3
71.55469	3.1
79.05503	76.8
81.02937	2.7
81.03423	62.0
81.07064	100.0
83.04971	17.3
83.08626	33.2
85.02905	7.5
85.06555	4.7
91.05490	76.6
93.07047	57.7
94.07389	2.7
95.04982	36.9
95.05562	4.6
95.08613	42.3
97.02896	6.1
97.06554	15.6
97.10175	26.4
99.08054	2.7
99.21343	2.6
103.05459	3.1
105.07043	69.3
107.04964	20.5
107.08607	48.3
109.06548	14.7
109.10168	24.2
111.08089	7.3
115.05463	4.4
117.07018	28.5
119.08596	51.0
121.06549	15.2
121.10166	25.5
123.08060	8.9
123.11725	13.3
125.09612	17.1
128.06274	6.6
129.07016	28.2
131.04926	4.4
131.08574	40.1
133.06485	11.2
133.10139	36.0
135.08069	13.3
135.11682	8.6
137.09618	6.7
141.06992	5.3
142.07790	6.4
143.08568	16.4
143.65453	2.9
145.06532	7.8
145.10136	34.4
147.08026	9.0
147.11703	31.0
149.09625	20.7
149.13210	2.8
151.11223	5.3
153.09167	2.9
155.08591	9.9
157.06436	3.3
157.10132	16.0
159.08110	3.8
159.11699	17.2
161.09628	7.3
161.13268	6.7
163.11215	10.6
165.12752	6.4
167.08545	3.9
169.10104	10.9
171.08043	4.5
171.11681	11.4
173.09593	7.4
173.11867	4.0
173.13274	11.9
175.11238	8.0
175.14761	2.9
177.12679	3.7
181.10135	4.3
183.11766	5.9
185.09613	3.4
185.13339	5.6
187.11209	5.7
189.11275	14.3
189.12700	3.8
193.12218	23.4
195.11694	4.9
197.13312	6.6
201.12746	3.3
203.14394	5.9
205.12219	4.0
207.13887	2.9
211.13234	5.7
213.12737	3.8
227.12683	16.2
229.19577	2.7
239.17914	4.2
249.14865	4.5
257.18964	8.5
263.17517	2.6
267.15878	25.7
273.18689	4.3
275.20081	49.8
293.21127	6.7
297.22247	4.6
299.20132	12.8
313.21658	6.0
315.23270	8.0
317.21240	5.2
329.21365	3.2
349.23724	18.5
355.22665	2.8
373.23901	7.9
421.31198	3.1
431.28979	3.7
435.27448	2.7
447.27463	5.0
449.30716	12.1
459.27380	2.8
467.31708	21.3
485.32614	11.2
523.34100	5.8
541.35297	61.1
542.36255	3.2
559.36426	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	559.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60524	0.3
55.05514	0.4
66.28114	0.3
67.05521	0.3
69.07056	0.6
69.39297	1.6
69.39703	0.7
73.06563	0.4
79.05496	0.4
81.03432	0.5
81.07076	0.7
83.08625	0.4
85.02896	0.6
86.09723	0.3
91.05502	0.5
93.07023	0.5
95.08624	0.5
97.02911	0.4
98.21479	0.4
98.97598	0.8
105.07009	0.5
107.08635	0.4
121.10175	0.3
127.03958	0.4
135.08144	0.3
137.05968	0.5
145.10225	0.3
149.02402	0.6
238.65535	0.3
283.05853	0.3
331.21014	1.5
340.88931	0.3
347.13950	0.3
349.22095	1.6
379.24030	1.3
397.25604	7.6
449.03040	0.6
497.30750	2.7
511.28979	1.0
541.29803	1.1
559.30927	100.0
560.31232	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.0
53.03943	10.2
55.01878	18.3
55.05263	3.3
55.05516	44.4
57.03448	10.5
57.07063	3.3
59.04988	2.1
65.03951	5.1
65.61820	1.9
67.05513	73.7
69.03441	4.0
69.07078	35.4
69.64978	4.5
69.65386	9.6
71.04996	5.8
75.24182	2.4
79.05506	59.6
81.03428	74.8
81.06583	4.9
81.07067	100.0
83.04982	8.9
83.05449	2.6
83.08627	28.2
85.02916	3.6
85.06542	4.3
91.05491	69.6
93.07059	50.9
94.07375	2.6
95.04980	36.2
95.08621	45.9
96.08977	2.2
97.02902	2.7
97.06564	17.7
97.10178	18.9
98.20844	4.6
99.08097	2.6
103.05510	2.9
105.07043	63.0
107.04970	24.0
107.08603	37.3
109.06522	14.0
109.10163	19.0
111.04552	2.2
111.08100	8.5
115.05471	4.1
117.07030	19.2
119.04979	3.9
119.08601	48.5
121.06538	9.3
121.10162	23.2
123.08077	12.1
123.11734	12.5
125.09678	11.4
128.06250	3.5
129.07001	21.8
131.04941	2.9
131.08572	30.6
133.06488	9.2
133.10162	30.8
135.08087	7.8
135.11722	6.5
137.09576	5.4
141.07014	3.8
142.07808	6.1
143.08595	11.8
145.06477	4.7
145.10138	21.5
147.08087	6.1
147.11734	34.4
149.09641	15.2
149.13290	5.8
151.11198	2.9
153.09142	2.6
155.08575	6.4
157.10165	15.4
159.08063	5.3
159.11708	15.7
161.09619	4.0
161.13275	6.0
163.11275	10.6
165.12814	8.8
169.10179	7.2
171.07980	2.5
171.11746	8.1
173.09663	4.3
173.13319	8.0
175.11215	11.4
175.14815	2.5
177.12773	4.5
179.14384	3.5
181.10217	4.5
183.11787	5.2
185.13319	4.3
187.11302	3.1
187.14786	3.8
189.11252	7.2
189.12772	2.9
193.12204	18.3
197.13252	4.8
199.11313	2.4
199.14851	3.1
201.12755	3.2
211.13120	2.9
213.12875	2.6
217.15877	2.9
227.12822	8.7
229.12379	2.3
247.20625	3.8
249.14812	3.2
257.19052	7.9
267.15952	26.3
273.18619	3.1
275.20108	54.7
281.18677	2.4
287.23615	2.7
293.21182	9.0
297.22223	4.0
299.20160	6.2
305.32910	2.3
313.21744	4.1
315.23193	7.0
341.21036	2.7
349.23749	16.3
439.32193	2.5
449.30588	10.0
449.36966	2.4
467.31555	15.5
475.84775	2.6
485.32629	12.5
523.33972	2.6
541.35309	48.0
559.36334	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.6
57.07084	4.0
60.49451	1.9
61.03547	2.0
61.22492	2.0
62.40371	2.9
69.57111	3.7
69.57439	14.2
73.02917	2.1
85.02917	7.1
86.09702	2.4
92.34180	1.8
98.20727	2.9
103.03991	2.4
109.02872	2.8
109.50270	2.1
119.04993	2.6
121.02911	3.9
147.04417	4.3
164.46652	2.1
191.03398	2.4
195.03091	1.7
201.05536	2.7
203.07193	2.1
217.05078	2.2
229.05040	5.2
230.05829	5.1
230.09464	2.2
232.10991	4.1
241.05084	4.4
242.05811	8.2
243.06584	4.2
244.07341	3.4
245.11592	4.1
247.09682	5.0
254.05887	5.5
255.06601	5.4
256.07431	10.0
257.08200	2.7
257.11691	2.7
258.08871	23.0
259.09686	79.5
260.06967	3.7
260.10449	9.2
261.11270	8.7
267.06497	2.7
268.07275	2.8
270.08868	2.6
271.06512	3.9
271.09653	50.7
272.07019	3.9
272.10410	11.8
273.11206	11.6
277.10895	6.0
281.08160	3.8
282.08829	2.9
283.09702	8.0
284.10452	2.9
285.08072	3.9
285.11179	28.6
286.08542	4.9
286.11993	6.2
287.09277	3.4
287.12817	4.1
289.10718	100.0
293.11969	2.7
295.06113	11.1
295.09433	3.7
296.06903	3.0
297.11136	10.3
299.09500	3.3
299.12820	16.0
300.09854	2.6
301.10736	69.2
307.05911	5.1
309.07394	2.8
311.12650	10.8
313.10666	36.0
315.12247	24.4
319.11893	15.8
321.07635	3.5
321.11292	2.4
325.07169	4.3
325.10791	23.3
325.14151	2.4
327.12344	7.7
329.13962	8.1
331.11871	6.0
337.07248	3.1
337.10818	8.3
339.12286	14.8
343.11798	58.5
349.07047	3.5
349.10916	6.9
353.14038	2.6
355.11807	31.5
363.08441	2.9
367.11816	23.3
373.12863	37.5
379.11804	5.5
381.13660	3.2
385.12805	28.7
391.13977	38.0
397.13669	3.4
403.13864	23.2
409.13245	4.5
421.14984	84.3
422.15207	2.6
427.14209	6.1
439.16083	17.6
445.15051	31.4
451.13495	2.8
457.15295	6.0
463.16071	14.5
469.15195	7.6
475.15933	24.6
481.11484	5.1
487.16019	21.5
493.17264	7.5
505.17102	19.8
523.18188	18.7
541.12799	4.4
541.19830	4.3
559.14099	3.6
559.27307	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	559.273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08750	0.5
55.01860	0.5
55.05465	0.6
57.03400	0.7
61.02901	1.1
69.03375	1.6
69.07025	0.5
69.40148	0.5
69.52955	0.5
70.06554	1.2
71.55615	0.8
72.08122	0.7
74.89409	0.5
79.05450	0.6
81.03384	0.6
81.07011	0.9
84.08115	0.8
85.02911	3.6
86.09669	1.2
91.05437	1.0
93.06993	1.4
95.08569	1.5
97.02843	1.3
105.07032	0.6
105.66994	0.5
107.04925	1.1
107.08539	1.9
109.02844	1.7
119.04899	2.2
121.02882	7.6
121.06522	0.5
121.10155	3.1
127.03835	0.7
134.42557	0.4
135.11627	1.1
145.02795	0.7
147.04369	0.6
161.05977	0.8
177.01785	1.3
177.16354	1.6
187.03958	0.7
189.01802	1.3
191.03340	0.9
195.02922	2.6
199.03969	0.6
203.03358	4.4
203.05234	15.4
205.01270	2.9
205.04697	0.5
205.74210	0.6
206.03670	0.5
207.02849	0.9
215.03458	0.7
217.01367	0.6
217.04950	2.3
219.02885	1.1
221.04359	1.0
227.03381	1.5
229.05003	1.0
231.02797	1.0
233.04469	0.7
243.02815	0.7
247.02432	0.5
255.02844	1.2
266.05936	0.6
268.07483	0.5
279.06531	0.7
281.08011	0.7
283.02570	0.6
283.05936	2.2
292.07458	0.6
293.03473	0.5
293.08081	1.1
294.05170	0.9
295.06018	18.9
295.09451	0.9
296.06458	0.7
297.07687	0.7
307.06033	4.7
308.06656	2.4
309.03976	1.4
309.07559	5.6
311.05423	1.5
313.06992	0.7
317.08243	1.5
319.06131	1.2
320.06702	1.5
321.07559	10.0
322.04605	1.3
322.08328	1.8
323.01660	1.1
323.05515	22.8
323.08899	1.1
325.07098	5.2
333.07535	2.4
335.05426	2.7
335.09213	5.4
336.06262	0.8
337.07050	6.0
345.07532	1.7
346.08246	0.8
347.05334	0.8
347.09164	2.1
348.06232	0.6
349.07111	9.6
349.10825	0.5
350.07828	0.9
351.08618	2.4
353.06598	2.1
361.07062	3.5
361.10812	0.8
362.07541	0.7
363.08633	6.7
365.06363	2.5
365.09970	0.9
367.08160	0.6
373.07013	2.2
375.05032	1.7
375.08841	1.5
377.06537	6.1
377.10587	0.6
379.08224	2.8
379.20926	70.6
380.21329	1.5
387.08856	0.8
389.06540	1.8
389.10687	0.9
391.08148	6.4
393.09903	0.7
401.06720	2.6
403.08286	1.9
407.07568	11.9
408.07791	0.7
409.09128	6.7
415.09073	0.7
417.10007	1.0
419.07645	5.2
421.09305	2.5
427.10205	8.7
431.07544	0.5
435.11206	0.7
437.08701	3.5
439.10516	4.8
455.09735	1.2
463.10220	3.9
475.10361	1.4
481.11319	22.9
482.11493	1.2
487.10077	1.5
493.11447	2.6
495.12772	0.6
497.10388	0.6
497.67590	0.5
505.11292	3.7
511.12344	6.0
523.12488	8.7
541.13470	13.4
559.15192	5.4
559.27295	100.0
560.27313	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.1
55.01863	2.1
57.03431	2.8
58.64771	1.2
61.02925	2.4
65.03919	1.4
68.99799	1.3
69.03419	4.0
71.55255	1.1
73.02921	2.2
81.03418	2.3
85.02917	14.2
86.09675	1.0
87.04472	1.7
91.05491	2.1
93.03415	2.1
97.02878	3.0
99.04473	1.1
103.03937	2.8
105.07024	1.1
107.04940	3.8
109.02872	3.6
111.04454	1.2
119.04951	11.8
120.40874	1.0
121.02875	35.7
121.06483	1.1
123.04485	1.6
127.03909	2.8
131.04924	1.7
133.06438	1.4
133.37903	1.0
135.04416	1.8
145.02856	4.2
145.04945	1.5
147.04410	3.7
151.03961	1.0
157.06523	1.1
159.04378	2.2
160.05220	1.0
161.02307	2.1
161.05995	1.3
163.03934	2.1
165.01810	3.1
171.04306	1.1
173.02391	1.3
173.05968	1.8
174.03233	1.1
175.03914	2.9
176.01111	1.2
177.01855	6.1
177.05486	1.3
179.03372	3.5
187.03879	2.4
189.01854	9.8
190.02618	1.2
191.03436	5.4
192.99461	1.3
195.02930	9.8
199.03961	1.6
201.01904	2.3
201.05473	1.8
202.02592	1.3
203.03398	19.0
205.04974	3.7
206.05739	3.0
207.02859	6.6
207.10129	2.0
212.07449	2.0
213.05511	1.9
215.03299	3.1
215.07065	1.1
217.01476	2.1
217.04964	11.4
218.05652	2.3
219.03015	5.5
219.06499	3.6
220.07256	6.5
221.04408	5.6
227.03366	4.4
229.04918	5.3
230.05623	2.0
231.02869	3.0
231.06479	2.0
231.10208	1.8
232.07231	1.2
233.04433	2.9
234.08893	1.8
235.05991	1.6
235.09650	21.8
241.04962	2.1
243.02950	3.7
243.06519	1.6
245.04466	2.7
246.14925	1.9
247.02510	1.8
247.05894	3.1
247.09685	31.4
248.06905	5.3
248.10516	4.7
253.08459	1.2
255.02859	3.3
257.04514	2.9
257.08115	1.2
259.05960	1.9
259.09665	12.4
261.11310	4.9
267.02774	1.5
267.06555	3.1
268.07260	3.8
269.04300	1.1
271.06049	1.4
272.06842	1.8
273.03879	1.9
273.11172	3.0
275.09058	2.1
277.10736	69.6
279.06543	6.4
280.07272	2.5
281.08112	2.9
282.05191	1.3
283.06046	15.1
284.06726	2.5
285.03970	1.2
287.09933	1.0
287.12711	5.3
291.06906	1.1
292.07211	3.2
293.04688	1.3
293.08072	5.7
294.05252	8.3
295.06036	100.0
296.06686	7.1
297.07556	8.0
299.05566	1.6
301.10791	14.4
305.07993	1.3
307.06033	65.6
308.06717	13.4
309.04135	1.5
309.07553	23.1
310.07980	1.3
311.05371	1.0
312.06277	2.1
313.07150	6.8
313.10406	1.7
315.12335	2.1
317.08118	4.4
319.05988	9.3
319.09244	1.7
320.06833	8.0
321.07596	49.0
322.04807	2.2
322.08258	9.3
323.05469	10.6
323.09119	7.4
324.06137	2.2
325.07086	62.9
326.07275	1.5
329.08145	1.4
331.06076	1.2
331.11853	5.5
332.06769	1.8
333.07614	13.3
334.08224	1.5
335.05441	9.4
335.09134	24.9
336.06357	6.6
336.09711	1.9
337.07071	33.3
338.07327	2.0
339.08667	3.9
343.11664	3.9
345.07669	5.7
346.08331	2.7
347.05383	4.0
347.09134	13.8
349.07068	43.9
349.10709	2.0
350.07632	4.4
351.04816	1.8
351.08658	15.5
353.06427	4.3
357.07526	2.6
359.09149	2.8
360.06244	3.2
361.07077	15.2
361.13165	9.8
362.07666	1.4
363.08734	17.0
365.06375	6.8
365.10455	6.1
367.08066	3.5
373.06943	9.2
374.07721	2.8
375.08658	14.6
377.06229	9.4
377.10669	2.2
378.07220	2.7
379.08099	28.5
379.13757	13.1
381.09726	1.9
385.07028	2.9
387.08725	2.7
389.06213	3.0
389.10165	3.5
391.08133	49.5
392.08600	2.7
393.09738	7.2
395.07236	2.3
397.09885	1.8
397.14948	54.5
401.06006	2.0
401.10950	1.4
402.07205	1.4
403.08130	15.6
403.12866	2.0
405.09695	4.1
407.07578	4.4
409.09213	59.8
410.09396	1.5
411.10764	1.1
415.08527	3.1
417.09576	4.8
419.07559	4.5
421.09198	36.9
421.14850	1.9
423.10608	1.1
427.10355	30.4
429.09644	1.5
431.06973	1.5
433.09061	3.2
435.10779	2.8
437.08655	2.9
438.09702	1.3
439.10284	53.8
439.15927	3.7
440.10812	1.2
445.09390	6.4
447.10834	1.7
451.10379	3.0
455.09637	2.7
457.10864	5.7
459.10663	3.5
463.10190	21.0
475.10406	9.1
477.11838	2.9
481.11353	43.8
482.11523	1.7
487.10199	9.5
493.11307	16.7
495.12576	5.4
497.10904	1.6
505.11365	26.1
511.12479	8.5
513.14020	2.2
523.04468	2.1
523.12408	43.8
524.12158	1.8
541.13452	55.4
542.13232	1.4
559.14215	30.0
559.21509	2.2
560.14484	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.8
65.03923	1.7
69.03449	5.7
69.70464	3.3
69.70870	4.1
81.03429	1.5
85.02894	4.5
95.81683	1.2
97.02913	1.3
98.21483	2.2
107.04919	1.9
109.02914	1.6
119.04946	8.0
121.02877	43.0
123.00838	1.4
127.24944	1.2
132.95827	1.5
135.04449	1.3
145.02837	3.4
147.04428	2.2
158.97284	1.3
161.02402	1.9
165.01837	3.6
175.03946	2.5
177.01816	5.0
179.03363	1.6
189.01776	3.8
189.05472	1.6
190.99850	2.3
191.03442	1.7
193.01328	3.6
193.04959	1.4
195.02966	6.7
199.03923	1.3
203.03445	4.1
205.01326	6.6
207.02895	2.4
209.00803	3.9
215.03400	2.3
217.01314	2.6
217.04939	4.2
219.02922	5.7
221.00935	1.4
221.04568	1.4
223.02356	3.9
227.03635	1.2
231.02805	4.2
233.04501	3.4
234.99046	2.2
235.02373	1.7
241.05038	1.3
243.02794	2.9
255.02867	2.7
259.06058	2.9
261.00217	2.4
267.06448	2.5
268.07263	1.6
271.02444	3.0
271.05859	1.2
273.03702	2.0
275.02237	1.7
279.01407	1.6
279.06476	3.4
281.07877	1.7
282.05200	2.0
283.06067	12.1
284.06778	3.2
285.04047	2.3
294.05234	2.7
295.06042	62.4
296.06799	3.4
297.04276	1.5
297.07513	2.7
299.05481	1.7
301.07022	2.2
303.01682	1.6
303.05148	2.9
307.05978	11.9
308.06757	4.2
309.03925	42.8
309.07538	8.5
311.05505	18.3
313.07062	3.4
319.01031	2.5
319.05890	1.7
321.04160	2.5
321.07553	11.8
323.05545	24.5
323.09180	1.9
325.03461	2.0
325.07053	12.9
327.05029	5.0
333.07513	3.9
335.05414	9.1
335.09152	9.9
336.06161	2.3
337.07114	13.7
339.05005	13.7
339.08670	2.8
341.06534	4.2
345.02957	1.4
347.05472	1.5
349.03287	2.1
349.07025	12.9
351.04849	3.7
351.08722	5.5
353.06595	4.1
361.07031	8.3
361.10785	1.4
363.04684	2.3
363.08572	4.5
365.06485	5.5
365.10431	1.9
373.07080	3.6
375.04922	2.4
377.06467	4.1
378.07220	1.7
379.08130	6.7
381.05597	1.9
381.09787	3.3
389.06525	5.5
391.07983	7.1
393.05701	2.7
397.09137	3.7
407.07419	2.6
409.09229	100.0
410.09802	1.9
417.06052	1.7
421.09229	18.2
439.10300	50.1
449.12265	3.9
459.10599	1.7
463.10324	69.2
475.10260	5.5
477.11780	3.2
481.11511	2.7
487.10400	15.1
493.11340	28.4
505.11285	32.2
523.12439	35.7
541.13458	14.2
559.14178	1.5
559.31061	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	559.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
53.16475	1.3
55.01880	2.8
57.03442	2.7
61.02934	2.6
67.05500	1.7
69.03430	18.9
69.61948	7.5
69.62359	2.2
70.06572	2.1
71.04991	3.2
73.02920	1.5
81.03428	5.1
81.07052	2.1
85.02898	8.1
86.09705	1.8
91.05473	3.6
95.04900	1.6
97.02916	3.0
98.20758	3.5
98.97575	2.8
99.04485	3.1
103.05596	1.5
105.07024	2.6
109.02893	5.2
119.04946	8.7
121.02875	27.7
123.00747	1.7
127.03887	2.3
135.04361	2.3
135.69470	1.6
136.06204	13.0
137.02313	1.9
137.05850	3.3
145.02885	3.2
147.04529	2.4
147.53154	1.5
161.05981	1.6
163.03964	2.2
165.01859	2.2
175.03961	2.0
177.01939	3.7
179.03429	2.6
187.03821	1.6
189.01840	6.0
193.01357	2.7
195.02927	6.9
197.00549	1.6
201.05368	1.5
203.03403	6.7
205.01399	3.2
207.02896	4.4
209.00830	5.6
211.02365	2.0
217.01352	1.8
217.04970	5.4
219.03011	2.9
221.00851	3.6
221.04440	2.9
223.02397	5.8
229.05046	2.1
235.02408	2.5
239.01917	2.2
242.07420	2.6
245.04517	2.5
267.06488	3.5
268.07269	2.6
269.04318	1.6
279.06555	4.6
281.07932	1.6
283.06009	15.6
284.06882	7.0
285.04095	2.9
293.08038	3.1
294.05298	7.0
295.06039	69.8
295.09424	3.7
296.06744	4.8
297.04190	3.6
297.07596	5.7
298.64529	1.6
299.05426	2.9
307.06033	29.4
308.06784	4.2
309.04044	54.8
309.07556	10.2
311.05475	28.3
312.06317	2.0
313.07025	11.3
320.06839	1.7
321.03830	7.3
321.07599	14.2
322.04822	3.7
322.08307	3.2
323.05588	23.1
323.09048	4.0
324.06091	2.1
325.07080	51.3
327.04947	4.7
333.07651	3.8
335.05933	11.7
335.09189	10.5
336.06155	2.1
337.07104	12.2
339.05054	36.4
339.08722	5.2
341.06628	26.5
347.05322	2.6
347.09225	5.3
348.06610	2.8
349.03491	3.1
349.07111	22.5
351.04916	14.4
351.08701	10.4
353.06470	11.8
357.06107	1.9
361.07208	8.1
363.04938	4.8
363.08755	6.4
365.06369	6.6
365.10239	10.7
367.08212	3.7
369.06018	11.6
373.07178	1.9
375.04489	3.7
375.08719	4.5
377.06369	9.7
377.10550	1.7
379.08078	4.6
381.09698	1.9
383.07465	2.1
389.06274	3.1
389.10715	2.1
391.08109	13.1
393.05457	1.8
393.09894	11.9
397.05194	2.4
397.25766	9.4
405.05951	3.8
407.07565	5.3
409.09216	18.8
411.10699	6.7
417.09824	2.1
419.07364	2.4
421.09186	18.7
423.07126	5.7
425.08923	2.0
427.10281	3.8
437.08713	3.5
439.10281	100.0
441.08072	3.3
447.10687	2.4
453.08206	2.8
455.09567	3.8
463.10501	11.6
467.13599	2.4
469.11026	2.3
475.10129	5.3
477.12051	2.9
487.10504	4.3
493.11392	6.4
495.12885	13.8
505.11511	10.1
511.12256	2.0
513.14215	12.5
523.12396	29.8
541.13409	98.3
542.13702	2.7
559.14728	23.1
559.31189	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34896	0.8
58.99871	2.1
62.78748	1.0
69.48576	6.3
77.00912	1.9
82.99829	1.1
86.65531	0.9
89.03926	1.1
91.05486	6.2
98.21539	1.7
101.00892	14.2
104.85160	0.8
113.00863	3.1
115.02415	2.0
118.30296	0.8
119.01933	17.8
119.04949	14.6
121.01675	1.3
123.04448	0.8
126.11887	0.8
127.02451	1.7
128.85970	0.8
129.00330	3.8
131.01906	8.5
133.03477	1.4
133.06496	2.2
137.02965	1.4
139.02391	1.6
139.03853	2.3
143.00845	1.8
143.01912	27.4
145.01662	2.2
145.03464	3.4
147.01392	5.9
147.04416	100.0
148.04733	1.2
151.03929	0.9
155.01913	8.7
157.03488	2.2
161.02975	21.7
161.05904	1.0
163.03853	4.6
167.01962	1.1
169.03496	2.2
171.01442	1.5
171.03099	1.1
173.02974	10.8
175.00848	0.9
177.05476	1.1
179.05577	1.3
181.03455	1.6
185.02957	3.5
187.00887	1.9
187.02643	2.6
187.04688	1.2
189.02385	1.0
197.06610	1.1
203.03987	5.4
205.01813	1.5
205.03468	8.5
207.05014	1.0
219.05110	2.9
221.04993	2.4
223.04529	13.7
229.03470	10.6
235.06656	1.2
237.06143	3.4
239.06149	3.3
241.03455	2.1
241.05609	13.7
243.05031	2.1
245.05035	2.8
246.05696	0.9
247.04575	40.8
249.04552	1.0
259.04562	3.1
261.06091	7.5
263.03751	1.3
263.06210	5.2
265.05624	59.5
266.05923	1.7
273.06131	3.5
275.02344	4.4
277.04129	1.8
279.07150	4.1
283.06769	8.7
287.03781	1.9
288.07236	1.8
289.05420	1.8
291.03900	1.4
291.06955	4.6
293.03506	12.5
295.06583	6.2
305.03391	5.6
307.06760	7.3
315.03650	1.1
321.10394	1.1
321.13974	1.0
323.04523	6.4
335.04581	2.1
337.07745	1.6
341.23340	1.0
351.05658	4.5
361.04245	2.6
365.09460	1.5
367.08807	14.7
377.05692	1.3
379.05237	9.6
385.09805	0.9
395.06888	10.9
397.06219	25.9
413.07764	2.0
415.07217	5.0
421.06262	12.1
433.06360	5.8
439.07297	35.8
451.07336	7.7
469.07993	3.2
541.10339	3.8
559.11694	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.05516	16.6
57.03436	1.2
57.05830	1.1
57.07080	27.4
57.07349	1.0
63.05823	1.2
67.05507	36.8
69.03432	11.7
69.06726	1.6
69.07072	19.6
69.18427	9.7
69.18843	3.1
71.04981	4.1
71.08634	15.0
72.86317	1.3
79.05499	20.1
81.06579	2.6
81.07060	41.1
83.04980	7.3
83.08629	13.1
85.06556	1.9
85.10201	10.9
89.06066	1.8
91.05476	5.7
93.07047	22.6
95.04958	1.5
95.08610	60.4
97.06533	5.1
97.10187	8.6
104.83360	1.3
105.07019	4.3
107.08595	15.2
109.10155	26.7
111.04446	15.0
111.11724	4.0
113.09673	1.6
117.07015	2.0
119.08572	2.7
121.10143	22.5
123.11686	6.1
125.48614	1.2
127.11187	2.3
129.05486	19.8
131.08607	2.5
133.10104	3.0
135.08037	1.7
135.11703	15.1
137.13261	5.5
139.07602	1.7
145.10126	1.6
149.13274	4.4
151.14815	2.8
151.96942	1.2
161.05988	2.2
165.16368	1.8
169.15887	10.0
176.16365	1.2
183.17520	2.6
189.16441	1.6
191.17944	18.8
193.19528	5.4
205.19545	1.9
209.19014	32.5
211.20563	21.9
215.17981	2.7
219.21364	1.4
223.20512	2.6
227.20018	2.4
233.19048	4.1
235.43289	1.2
239.23676	2.1
241.17979	1.6
251.20067	8.3
253.21826	1.6
269.21133	100.0
270.21207	1.9
277.92529	1.1
297.24243	6.1
332.90875	1.2
353.13794	1.7
428.57364	1.2
557.52802	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	557.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93476	1.8
53.03940	2.7
55.05516	27.3
57.07076	21.7
65.03956	2.0
67.05508	57.9
69.03429	14.5
69.07076	33.3
70.17959	7.8
71.04990	3.2
71.08635	11.1
79.05495	32.0
81.07062	67.4
83.04984	8.0
83.08631	21.2
85.06554	2.4
85.10181	8.9
89.06041	2.8
91.05476	8.6
93.07056	35.2
95.08615	100.0
97.06523	4.7
97.09746	1.7
97.10197	18.8
105.07016	6.2
107.08614	16.1
107.47779	1.7
109.06551	2.1
109.09459	3.7
109.10169	47.8
111.04432	15.4
111.11730	14.2
117.07008	3.3
119.08578	5.9
121.10148	30.0
121.10934	3.3
123.11707	19.0
125.09633	1.8
125.13263	1.8
127.11217	3.7
129.05478	16.6
131.08543	3.4
133.10153	8.4
135.08095	2.6
135.11690	16.4
137.13252	10.7
139.07584	2.8
145.10143	3.0
147.11681	3.6
149.13290	5.4
151.14810	3.7
161.13268	2.9
169.15854	4.2
173.13205	1.8
183.17438	4.9
189.16455	4.0
191.17984	25.5
193.19540	17.2
205.19498	3.9
205.25375	2.2
209.19019	32.1
211.20587	84.2
215.18042	3.9
217.19463	5.1
219.21216	2.0
233.19073	3.4
235.20552	4.5
241.18065	3.1
251.20082	15.4
253.21648	4.7
269.21146	58.6
271.22763	8.7
285.25793	2.0
287.70889	1.9
288.11667	2.0
291.51279	2.0
389.35684	1.9
414.64362	2.2
517.44757	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	558.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	21.0
57.07061	27.5
67.05513	30.8
69.07072	10.7
70.99915	11.6
71.08624	22.0
74.65456	6.5
79.05482	14.4
81.03431	55.9
81.07055	31.1
83.04972	17.2
83.08606	24.8
85.02895	17.9
85.10163	17.7
91.05484	16.8
93.07028	16.5
95.04942	22.3
95.08615	31.9
105.07014	16.4
107.08576	10.1
109.10153	9.8
119.08585	9.9
121.10143	11.8
129.07010	7.3
131.08572	8.6
140.35881	6.8
147.11693	13.7
175.11151	12.6
193.12199	41.1
211.13284	65.4
256.26300	7.1
267.15851	8.5
284.26715	9.1
285.16913	51.0
313.27371	69.8
523.39996	100.0
558.53442	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	557.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.4
55.01868	7.0
55.05516	31.4
56.89765	1.6
57.03436	7.9
57.07077	3.4
65.03939	3.5
67.05510	54.2
69.07069	23.9
69.25378	17.1
71.04993	5.6
72.82822	1.6
76.79212	1.6
79.05497	54.3
81.03415	7.7
81.07060	64.6
83.04970	8.8
83.08619	15.2
85.06529	2.9
91.05488	54.5
93.07053	51.0
95.01373	2.9
95.04970	10.6
95.08610	48.0
97.06553	10.2
97.10157	7.3
99.08119	1.9
103.05450	2.4
105.04558	2.5
105.07039	49.2
107.04990	10.3
107.08597	30.3
109.06519	5.9
109.10161	15.0
111.08097	4.3
115.05461	3.5
117.06238	2.2
117.07040	27.3
119.08591	41.8
121.06504	5.4
121.10143	18.3
123.08074	5.9
123.11716	3.7
125.09615	3.3
128.06224	6.9
129.07014	18.7
131.08572	38.6
133.06474	2.6
133.10141	28.8
134.16441	1.7
135.08055	6.0
135.11711	19.5
137.09639	2.4
141.07005	7.2
142.07809	2.6
143.08568	28.6
145.06467	2.2
145.10136	37.4
147.08047	3.1
147.11696	19.3
149.09598	4.3
149.13246	5.8
153.06981	3.8
155.08580	21.5
156.09354	2.1
156.47838	1.9
157.10141	26.1
159.08063	2.8
159.11697	20.3
161.09639	3.1
161.13274	15.3
163.11205	12.6
165.06912	2.6
167.08626	9.4
168.09329	3.8
169.10139	29.4
171.11685	26.0
173.09692	2.3
173.13237	10.6
175.14856	4.7
177.12727	4.3
179.08521	2.8
179.14354	3.1
181.10100	11.9
183.11687	17.9
185.09627	3.0
185.13252	15.3
187.11180	5.0
187.14833	6.2
189.12730	3.9
193.10124	3.7
195.11765	10.5
197.13293	13.4
199.14891	10.9
201.16504	2.8
205.15817	2.2
207.11815	3.6
207.13768	4.7
209.13272	10.4
211.14799	8.8
213.16370	9.1
221.13310	3.1
223.14822	6.6
225.16415	3.7
227.12677	10.7
228.69641	1.7
229.19638	2.1
231.17383	2.1
231.21223	2.4
235.14793	4.1
237.16423	3.5
239.14273	2.4
239.18002	3.1
240.18694	1.9
241.19531	7.5
247.17079	2.7
257.19073	5.5
259.20584	15.2
275.20068	16.2
279.16083	4.0
281.17432	9.8
287.20120	2.8
297.18542	2.3
297.21890	3.0
299.20383	2.0
313.21512	3.7
315.23276	2.5
321.21915	2.9
323.23770	3.4
333.24277	6.8
341.24860	1.9
349.25192	2.8
353.24606	4.1
354.25836	2.1
367.26413	2.2
419.33362	3.9
429.31229	8.0
437.34232	11.3
447.32700	27.0
448.32220	1.8
465.33786	29.7
483.34955	15.2
501.36194	2.6
503.35229	2.0
521.36249	12.2
527.37036	2.2
528.74573	1.9
529.38837	6.8
539.37457	100.0
557.38831	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	557.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.4
55.01872	4.7
55.05518	36.7
57.03425	9.6
57.07070	11.9
58.43140	2.4
62.51506	2.6
62.55203	2.6
65.03954	6.4
67.05512	81.5
69.03413	2.8
69.06789	2.2
69.07078	28.1
71.04984	6.8
71.08633	6.3
72.08139	9.7
74.09739	3.0
79.05505	61.6
81.03417	6.5
81.06585	4.4
81.07066	81.7
83.04976	9.5
83.08626	18.2
85.06557	3.8
85.10195	3.5
89.06044	4.7
89.24009	2.5
90.34020	2.6
91.05491	63.2
93.07052	68.0
95.04985	12.8
95.08059	4.1
95.08619	55.0
97.06535	9.6
97.10171	11.6
103.05466	2.4
105.07034	44.5
107.04979	15.9
107.08608	36.1
109.06513	7.6
109.10162	28.0
111.04438	4.9
111.08105	4.2
111.11798	2.8
115.05447	4.0
117.07024	32.4
119.05003	3.1
119.08588	34.4
120.92796	2.7
121.06535	4.2
121.10154	27.2
123.08071	7.7
123.09676	2.6
123.11712	6.5
125.06010	4.1
125.09689	6.2
128.06242	10.2
129.05508	4.2
129.07018	28.0
131.08574	38.6
132.09221	2.9
133.08569	3.7
133.10152	34.0
135.08134	3.0
135.11711	15.7
136.74731	2.7
137.13260	3.0
141.07011	8.0
142.07785	5.4
143.08580	28.6
145.06479	4.7
145.10132	35.1
147.11719	21.5
149.09634	6.1
149.13261	6.8
153.07010	2.6
155.08582	24.4
156.09419	3.5
157.10153	26.2
159.11694	24.9
161.09627	3.2
161.13298	17.3
163.11128	5.0
165.06950	2.6
165.12729	3.4
167.08548	13.2
169.10120	27.7
171.08041	2.8
171.11670	23.3
173.09641	3.1
173.13272	15.0
175.11111	3.1
175.14841	5.0
177.12750	6.2
179.08536	3.2
181.10075	13.4
182.10971	3.5
183.11754	25.0
185.13289	16.3
187.11191	6.8
187.14832	8.5
189.16360	3.8
191.17969	7.6
193.10165	7.1
195.11726	18.1
197.13295	17.0
197.14777	2.8
199.14798	9.5
201.16341	4.4
207.11736	4.9
207.13826	2.9
209.13266	10.1
209.19046	5.2
211.14856	11.2
211.20537	3.8
213.16434	12.2
221.13377	3.8
223.13229	7.4
223.15028	5.5
225.16408	7.0
233.18892	4.7
235.14877	4.1
237.16428	3.4
239.06999	9.2
239.17850	4.0
241.19553	8.9
243.98067	2.7
247.16983	4.1
249.16400	3.2
251.20197	5.1
257.19009	2.9
259.20612	10.3
261.22058	3.0
269.21124	16.7
279.15903	7.7
281.17529	8.2
295.13312	8.1
295.20673	4.0
315.23129	4.1
323.23657	5.5
333.24423	4.4
335.23645	3.6
339.23337	4.1
353.24594	5.7
419.33102	4.2
429.31433	8.1
437.34375	13.5
447.32452	24.8
465.33737	30.7
467.37112	2.7
483.34705	26.3
503.34717	3.1
521.36426	10.4
529.38696	10.0
539.37341	100.0
540.37219	2.9
547.48315	2.8
557.38660	78.7
557.52124	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	557.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.7
55.01873	3.2
55.05514	19.1
57.03433	5.5
57.07075	2.1
60.51743	1.5
65.03954	1.9
67.05505	45.6
67.20560	1.8
69.03407	2.1
69.07066	13.4
70.79433	2.5
70.79765	2.8
71.04977	3.8
73.59432	1.4
79.05495	40.4
81.03436	2.0
81.07057	42.3
83.04988	2.9
83.08612	9.0
85.06555	3.2
91.05482	42.4
93.07047	37.4
95.04990	8.6
95.08612	30.8
97.06545	5.9
97.10181	3.1
100.46275	1.6
103.05479	2.1
105.07037	40.7
107.04964	4.7
107.08592	23.5
109.06551	2.8
109.10166	10.4
111.08099	2.8
115.05515	2.4
117.07020	16.8
119.08575	29.4
119.09356	3.0
121.06535	2.3
121.10144	12.4
123.08099	5.4
123.11709	1.9
125.09605	2.2
128.06210	3.5
128.70877	1.8
129.06996	23.1
131.08571	31.1
132.16652	1.7
133.10150	22.0
135.11740	6.9
141.06975	8.8
142.07838	4.9
143.08572	26.1
145.06462	2.4
145.10112	25.6
147.08084	3.0
147.11693	19.7
149.09651	3.1
149.13318	3.9
151.11241	3.0
154.07797	1.9
155.08545	18.9
156.09361	2.6
157.06538	1.7
157.10133	23.0
159.11690	18.6
161.09663	3.0
161.13251	12.3
162.84116	1.6
163.11249	3.0
163.14819	1.8
166.07779	2.6
167.08601	8.0
168.09323	2.5
169.10126	22.6
171.11710	25.2
173.13278	11.1
175.11246	2.2
175.14851	5.9
179.08615	3.6
180.09288	1.8
181.10123	14.2
182.10907	2.4
183.11703	19.8
185.13283	11.3
187.11258	4.0
187.14865	4.6
189.12737	2.0
193.10156	4.1
195.11708	12.7
197.13237	14.2
199.11328	2.0
199.14861	7.7
201.16379	3.7
205.12245	1.9
207.11903	2.6
207.13835	5.6
209.13293	8.4
211.14899	7.3
213.16414	11.2
219.11766	2.7
219.17554	1.7
221.13321	5.8
223.14917	5.2
225.16551	4.0
235.14767	3.2
239.17973	2.7
241.19609	5.2
245.25827	1.7
247.17036	3.5
249.16356	2.1
251.18164	2.6
257.19138	2.2
259.20599	18.6
261.22147	2.0
267.42682	1.7
271.17267	2.1
275.20230	2.1
279.16013	6.1
281.17407	10.3
287.20160	2.3
291.20929	2.2
293.22836	1.9
307.20538	2.0
309.22345	3.2
313.21655	2.9
315.23331	2.7
323.23721	2.6
327.23206	2.2
333.24338	8.5
335.23715	3.5
339.23190	2.9
341.24896	2.8
349.25653	2.0
353.24643	2.1
355.26343	2.2
367.26227	1.8
419.33209	4.1
429.31259	4.5
437.34189	12.3
447.32675	28.1
455.35236	2.1
465.33685	32.2
483.34808	16.6
501.35794	3.6
503.35092	2.5
521.36334	11.2
529.39014	7.0
539.37347	100.0
540.37744	2.6
557.38477	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	557.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61882	1.7
53.03948	15.6
55.01867	6.5
55.05514	26.0
57.03430	5.4
57.07076	10.6
65.03941	4.4
67.05511	94.2
69.03426	6.0
69.07072	26.9
71.04996	6.4
71.08636	5.3
71.25672	3.5
74.00269	1.5
77.03944	1.9
79.05500	77.8
81.03433	24.7
81.07063	100.0
83.04984	12.3
83.08630	12.9
85.02890	1.9
85.06561	5.0
85.10232	2.1
89.06010	3.7
89.59750	1.3
91.05488	49.8
91.52174	1.8
93.07055	75.6
95.04987	18.2
95.08617	65.4
95.09241	2.0
97.06522	7.9
97.10188	8.5
99.08045	1.4
103.05507	2.3
105.04522	3.1
105.07038	34.7
107.04963	26.2
107.07876	2.4
107.08604	46.5
109.06522	5.8
109.09452	2.9
109.10159	26.6
111.04452	5.2
111.08097	5.8
111.11710	2.3
113.32990	1.4
115.05513	2.8
117.07027	23.9
119.08583	20.7
121.06522	7.3
121.10140	30.7
123.04485	2.8
123.08083	13.9
123.11687	7.8
125.09637	4.3
128.06256	2.5
129.05493	5.2
129.06992	10.3
130.07774	1.8
131.04916	2.5
131.08580	31.0
133.06538	3.0
133.08646	1.6
133.10124	20.0
135.08084	5.6
135.11713	30.5
137.09641	3.7
137.13246	2.3
141.06999	10.0
142.07782	2.3
143.08600	8.4
145.06502	12.8
145.10136	19.2
147.11725	9.0
149.09613	2.8
149.13266	15.8
154.07767	2.5
155.08630	3.8
157.10152	5.4
159.08105	4.5
159.11713	24.4
159.40147	1.5
161.06122	3.3
161.09621	2.3
161.13310	4.7
163.11197	3.7
163.14899	2.8
169.10123	9.7
171.11740	6.6
173.09625	2.1
173.13220	10.2
175.14861	2.3
177.01848	2.7
177.12735	10.6
181.10165	2.0
183.11821	3.6
185.13333	3.2
187.11218	14.7
187.14877	3.7
191.18025	11.0
193.19556	2.7
195.02922	5.1
195.12035	2.8
195.13885	9.3
197.13315	4.9
199.14763	2.0
201.12561	1.9
205.12280	6.0
209.19026	8.9
211.20593	6.2
215.18031	2.7
223.13260	18.1
227.17877	1.8
241.14349	17.9
243.21135	4.2
251.20134	4.3
261.19565	1.9
261.22183	14.7
269.21194	19.6
279.15945	72.8
297.16928	7.7
297.24622	2.5
299.23749	1.5
313.25467	2.3
317.14063	1.9
317.24933	3.5
329.24695	2.7
433.20108	6.6
447.32431	2.4
465.33817	6.7
483.35007	5.7
488.18054	8.5
529.38885	2.1
539.37274	19.6
540.37555	2.4
557.38464	83.3
557.52332	3.4
558.38702	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96448	1.2
52.91933	1.3
53.03933	6.2
53.26807	1.2
55.01873	11.1
55.05274	2.1
55.05520	29.9
57.03434	4.8
59.26093	1.2
67.05511	38.7
69.03435	8.0
69.07076	23.4
70.11065	5.2
71.04972	2.4
73.87115	1.3
79.05500	35.9
81.03428	49.7
81.07066	29.1
83.05005	6.7
83.08633	15.9
91.05489	33.7
93.07066	21.5
95.04973	23.7
95.08617	13.8
97.02901	8.6
97.06540	7.1
97.10189	18.6
103.05466	1.6
105.04552	1.9
105.07041	22.7
107.04965	16.4
107.08595	19.7
109.06553	7.8
109.10165	12.2
111.04427	1.5
111.08076	4.5
115.05502	3.7
117.07024	11.3
119.04958	2.0
119.08592	18.3
121.06503	9.3
121.10158	9.7
121.74394	1.2
123.08082	4.3
125.09644	13.1
129.07008	11.5
131.04962	1.9
131.08582	14.7
133.06503	5.4
133.10155	8.9
135.08073	6.7
135.11717	3.2
137.09644	3.6
141.07066	1.4
141.56033	1.4
142.07813	2.4
143.08585	5.7
145.06500	4.6
145.10164	10.0
147.08063	7.3
147.11711	7.7
149.09653	5.2
149.13266	1.9
151.11200	1.4
153.09157	2.4
155.08502	3.0
157.10109	7.1
159.08116	2.9
159.11752	3.7
161.09633	3.7
161.13254	1.6
163.11258	4.8
169.10106	3.3
171.08092	3.9
171.11699	3.2
173.09644	2.9
173.13377	2.3
175.11188	7.4
177.12846	1.8
181.10190	1.5
183.11726	2.6
185.09685	2.6
187.11241	2.8
189.11264	8.0
193.12221	13.2
197.09540	1.6
199.11201	1.7
201.12848	2.0
203.14281	1.7
205.12311	3.1
213.12822	2.4
219.13818	8.9
223.13309	13.9
227.12791	10.6
227.14575	1.2
249.15036	3.3
253.14442	2.1
267.15967	2.0
273.18518	13.3
275.20135	2.7
291.19577	59.9
295.20663	1.5
297.18576	2.0
297.22052	1.7
313.21661	10.6
315.19659	2.4
347.22577	1.5
435.54187	1.4
445.26013	4.2
447.28830	2.4
459.27762	1.6
461.25113	1.3
465.29968	8.2
483.31207	6.1
539.33722	16.3
557.34808	100.0
558.35352	3.8
573.11981	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.1
55.01876	23.9
55.05515	33.7
57.03442	10.1
57.07067	1.6
59.05013	1.6
63.10780	1.6
65.03953	3.7
67.05508	47.5
67.27964	1.4
69.03425	5.3
69.07069	18.3
71.04994	5.4
71.55022	1.5
74.28552	1.4
79.05060	3.2
79.05501	45.0
81.03424	27.7
81.07061	56.4
83.04984	11.0
83.08625	18.6
85.02916	3.2
85.06554	2.9
91.05487	40.0
93.07051	34.6
95.04966	24.9
95.08611	21.3
97.02878	2.2
97.06536	14.2
97.10174	20.3
99.04498	1.4
99.08128	3.0
102.45528	1.4
103.05499	2.1
105.04501	1.5
105.07043	26.4
107.04961	20.6
107.05618	1.7
107.08595	27.2
109.06521	24.4
109.10155	13.1
111.04465	4.0
111.08131	5.1
113.06066	2.6
115.05460	3.5
117.07033	17.4
119.08585	21.3
121.06518	15.1
121.10136	13.7
123.04477	1.6
123.08105	8.4
123.11696	2.0
125.09632	15.5
128.06259	3.6
129.07037	14.2
129.71791	1.9
131.04961	4.9
131.08583	21.7
133.06528	6.1
133.10135	11.1
135.08054	19.0
135.11728	5.0
137.06064	1.7
137.09612	7.6
141.07030	4.9
142.07825	5.6
143.08586	12.9
144.09448	1.4
145.06485	10.7
145.10121	17.4
147.08055	8.4
147.11705	6.8
149.09625	10.8
151.11212	2.1
153.09090	3.1
154.07835	1.7
155.08621	6.7
156.27502	1.5
157.06487	3.6
157.10107	9.8
159.08044	7.2
159.11755	7.2
161.06055	2.6
161.09601	8.1
161.13286	1.8
163.11227	9.0
165.09149	3.0
167.08670	4.1
169.10187	5.3
171.08118	6.0
171.10390	2.2
171.11755	6.7
173.06090	2.7
173.09674	4.9
175.11226	7.4
177.12822	3.0
179.08546	1.7
181.10173	3.5
181.12413	2.0
183.08061	3.9
183.11790	5.5
185.09573	7.3
185.13300	4.9
187.11203	8.0
189.09381	1.7
189.11290	8.8
189.12732	3.3
191.14363	2.7
193.12271	6.9
195.11757	2.4
197.09688	3.5
197.13403	3.3
199.11264	5.2
199.14900	2.6
201.12837	4.8
203.14447	2.1
205.12260	2.5
207.11786	1.8
211.11276	3.5
211.14864	1.8
217.15942	3.0
219.12027	1.7
219.13832	8.1
223.11279	1.8
225.12755	2.6
227.10750	2.1
227.12587	7.2
229.14377	2.0
239.14348	2.4
243.13876	2.8
245.15472	5.1
245.19170	3.0
247.17058	3.1
249.14859	1.8
255.17419	2.2
257.15607	2.5
267.16086	5.6
273.15237	3.5
273.18613	17.5
273.20728	1.7
275.20197	5.2
289.14401	2.0
291.19604	14.2
297.18512	2.9
299.20123	2.0
311.20160	3.4
313.21576	16.8
315.19666	4.1
319.19199	2.1
321.20831	2.0
327.19528	1.5
329.21255	3.2
331.23044	2.4
341.21075	7.0
347.22284	3.7
351.23331	2.2
353.21198	3.2
355.22589	1.4
367.22800	2.9
369.24341	3.4
377.23798	1.7
379.26569	1.7
385.24011	1.7
387.25333	2.5
415.24908	3.0
429.28021	2.1
433.25684	9.2
437.30859	2.2
447.29184	11.4
459.28073	2.6
465.30133	20.4
483.31097	10.4
487.27188	1.8
501.32272	3.2
521.32300	3.0
523.94202	1.9
529.35504	2.7
539.33765	24.0
557.34839	100.0
558.35468	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	557.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.05508	4.3
57.03419	1.1
57.07081	6.1
63.77790	0.8
67.05508	17.5
69.07079	7.5
70.27526	3.3
70.27862	1.0
71.08652	1.7
77.60382	0.9
79.05493	12.4
81.03429	5.4
81.07064	20.7
83.05005	2.3
83.08633	2.1
85.43138	1.0
85.54314	1.1
91.05480	3.8
93.07046	8.3
95.04987	2.4
95.08612	11.8
97.10167	2.3
103.05474	3.1
105.04515	1.0
105.07040	5.1
106.95352	1.0
107.04983	1.4
107.08595	5.0
109.02889	13.2
109.10169	9.8
111.04456	1.8
117.07034	1.1
118.04149	3.7
119.08577	2.7
121.06525	5.6
121.10151	6.1
123.11717	26.9
129.05507	2.4
129.06963	1.8
131.08635	1.6
133.06506	30.2
133.10138	2.7
135.08080	10.9
135.11687	9.4
137.13234	1.1
139.88185	1.1
159.11685	1.5
161.05992	100.0
163.14816	2.1
165.01849	4.3
173.13255	1.2
177.01846	24.3
177.03310	1.7
179.03391	1.1
183.02930	1.6
191.03442	2.5
191.17955	3.6
193.45230	0.9
195.02898	61.0
196.03195	0.9
203.03389	4.1
209.04404	1.5
209.18997	2.3
211.20564	3.4
223.20631	1.0
230.22282	0.9
231.06541	3.5
233.08032	5.1
239.23788	2.0
243.06566	6.3
251.20024	2.9
256.26419	1.3
261.07584	2.1
269.08008	1.7
269.21213	6.5
281.11700	1.7
283.26096	1.5
284.29446	1.4
285.14810	1.9
299.09396	1.8
299.12772	18.5
311.09171	12.4
317.13849	11.2
325.14227	1.6
341.21140	3.9
353.17505	1.9
355.19138	4.5
367.15308	4.9
375.81226	0.9
379.15527	1.5
400.78326	1.0
433.20132	47.9
487.24551	1.5
488.17996	4.5
489.26196	5.0
501.26105	3.6
557.20776	1.0
557.41577	1.2
557.53497	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	557.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.6
55.05509	6.5
57.07079	6.1
67.05508	22.9
69.07076	14.5
69.57309	5.0
69.57718	2.6
71.04994	1.6
71.08629	4.6
79.05490	14.9
81.03419	5.4
81.07061	24.5
83.04971	1.4
83.08620	3.6
85.06567	1.6
85.10166	2.8
89.06032	2.8
91.05476	6.7
93.07034	14.8
95.04948	4.5
95.08617	22.0
97.06530	1.8
97.10173	3.1
98.20782	2.5
103.05475	2.7
105.07023	7.2
107.04964	2.1
107.08611	9.3
109.02882	12.7
109.10168	13.3
111.04446	2.0
117.06990	1.8
118.04206	3.0
119.08581	4.0
121.06506	6.8
121.10139	8.5
123.11718	29.4
129.05492	4.4
133.06502	33.3
133.08580	1.6
133.10123	2.8
135.08067	13.8
135.11691	11.2
147.08069	1.3
147.11670	2.4
149.13232	1.3
149.94362	1.3
155.14362	1.7
161.05989	100.0
164.45392	1.2
165.01862	4.9
177.01855	27.1
179.14337	3.1
182.30302	1.2
183.02919	2.4
185.13206	1.2
191.03445	2.6
191.17928	5.1
195.02899	64.6
203.03381	3.6
209.18977	4.6
211.20610	3.6
219.10226	2.2
223.20538	1.5
231.06534	3.0
233.08058	6.0
234.49565	1.3
239.68552	1.4
243.06531	5.0
245.08272	1.3
251.09201	1.2
251.20114	4.8
256.03519	2.5
261.07654	1.4
269.21130	17.0
275.34573	1.7
285.14798	2.3
299.09610	1.5
299.12778	20.7
300.29019	1.6
311.09174	13.3
317.13876	10.5
341.21109	4.3
353.17566	3.3
354.10681	2.7
355.19107	7.3
367.15256	5.9
421.19766	3.1
433.20120	50.3
445.20187	1.5
487.24915	2.5
488.18106	11.0
489.26416	8.8
501.26517	3.4
556.52393	1.5
557.38763	4.3
557.53357	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.3
57.03455	2.7
69.03429	1.1
70.06561	0.9
70.15640	0.6
71.01360	3.0
71.55363	0.6
72.08137	0.9
73.02923	5.4
74.33351	0.7
79.05479	1.2
81.03431	0.8
81.07035	0.9
83.01333	0.8
83.67711	0.7
84.04488	0.6
85.02917	7.5
86.09745	0.6
91.05526	0.6
95.01342	2.1
97.02916	0.9
98.06042	2.1
99.00809	1.0
101.02381	1.5
103.03954	1.0
107.08611	0.7
108.04504	3.7
113.02368	2.6
116.50170	0.6
117.03344	0.6
117.05518	0.9
121.02861	0.8
122.06028	1.0
123.04446	0.8
125.32104	0.5
129.05453	3.3
131.03384	0.9
135.08064	2.1
138.05479	1.0
140.07066	2.4
141.01820	2.8
142.82828	0.6
145.71594	0.6
146.04778	0.5
147.47221	0.5
148.07570	0.5
150.05515	0.9
150.09154	0.7
152.07158	0.8
160.07596	2.1
161.06029	0.8
163.03929	0.6
163.08679	1.7
167.06998	1.3
168.06622	1.9
172.07649	0.6
174.09117	1.4
176.10634	0.7
177.10252	2.1
178.08649	19.7
182.08076	0.6
188.07098	1.7
191.08148	0.8
191.11961	0.7
201.10335	1.2
202.08611	4.8
203.03535	0.6
205.09712	7.9
206.08141	4.0
216.06644	0.7
216.10275	0.7
219.07838	0.9
219.11314	5.9
224.09264	3.4
229.09755	2.4
229.76001	0.6
230.08185	2.3
242.10236	1.4
243.11121	0.9
244.09752	1.1
247.10799	19.3
265.11893	2.1
272.09171	0.9
289.11755	3.7
295.06198	0.8
307.12903	2.0
311.05447	0.9
321.07471	0.7
323.05576	0.8
339.15549	36.1
351.05048	1.7
363.15460	1.0
365.06549	0.8
381.16592	100.0
390.09607	0.9
395.07648	5.2
515.18707	0.7
522.14209	0.8
527.11163	0.9
539.17279	2.7
557.19763	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	557.2942
Annotation	ciguatoxin IJKLM cyclic acetal
Peak:m/z	Relative Intensity
55.05513	0.7
56.96568	0.9
63.69209	0.4
67.05513	0.9
69.03432	0.6
69.07076	0.7
70.06607	0.7
79.05506	0.5
81.03432	0.6
81.07073	1.3
84.04508	0.6
84.08150	3.1
85.02916	1.5
91.05511	1.0
93.07062	1.1
95.04986	0.6
95.08627	0.8
97.02897	0.9
98.97582	0.8
105.07060	0.8
107.08628	0.5
109.10191	0.5
119.04976	0.5
121.10191	0.5
123.11685	0.5
127.03944	0.6
133.10146	0.8
137.05983	0.6
141.87816	0.4
145.10187	0.5
147.04420	1.1
173.09665	0.5
173.13255	0.5
221.79866	0.5
327.14743	0.7
336.52814	0.5
347.20673	0.9
359.20816	1.0
365.22086	1.9
377.21793	1.8
395.24194	11.5
395.29205	1.8
495.29645	1.3
527.28082	2.9
557.29364	100.0
558.29565	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
71.36187	1.1
71.54526	1.3
82.99873	3.6
97.02884	2.3
98.21181	1.0
101.00893	24.0
108.07272	1.0
109.01407	1.2
109.02876	1.4
113.00869	5.5
115.02448	1.5
119.01929	37.2
127.02455	6.0
127.03918	1.4
131.01929	12.3
133.03458	2.2
137.02969	3.3
139.02423	2.3
141.04060	1.1
143.01912	65.5
145.03487	29.0
146.01097	1.1
147.01427	2.0
148.56912	1.4
149.02977	1.2
155.01907	24.2
157.03470	8.0
158.17210	1.0
159.05060	4.9
161.02969	57.7
163.03766	5.4
167.01938	12.6
169.03487	17.2
171.01436	2.7
171.05035	4.7
173.02969	28.2
175.04533	3.2
177.02303	1.3
179.01913	5.9
181.03459	3.6
183.05067	1.4
184.04485	1.4
185.02982	50.7
187.00955	1.9
187.02942	2.0
187.04543	27.0
189.02417	5.8
191.04068	2.5
197.02963	19.1
199.04504	6.7
203.04010	20.5
205.01970	4.4
208.04636	1.6
209.02968	1.9
211.04616	5.8
213.02448	5.6
213.06024	2.0
215.04048	10.2
221.02925	5.4
221.05103	5.1
225.02390	1.4
227.04036	12.0
229.05539	2.4
231.03542	7.1
239.03929	2.0
245.05107	100.0
246.05225	1.7
247.02910	2.1
257.01437	2.7
257.05045	7.7
263.03802	2.2
263.06329	11.3
265.04126	1.4
271.06677	3.9
273.04596	1.3
275.02496	24.2
275.06085	11.3
281.05096	1.5
287.02527	7.1
293.03577	18.2
293.07062	3.1
305.03564	9.5
305.07193	6.6
317.06970	1.3
323.04614	4.1
335.04605	16.8
335.08191	3.1
337.73483	1.1
359.04703	5.6
363.07718	2.4
365.09479	6.7
377.05725	27.2
381.08331	1.9
395.06815	56.4
413.07568	3.7
455.06534	2.6
539.10938	2.3
557.12122	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	556.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23098	2.3
55.05506	9.6
57.03435	9.3
57.07077	31.8
67.05521	13.1
69.07060	10.9
70.06599	14.4
71.08647	26.0
71.55724	3.4
77.71223	2.3
79.05508	14.1
79.47599	2.9
81.07061	19.3
83.08637	12.1
85.10200	13.6
88.07614	5.1
89.06033	19.8
90.97653	2.9
91.05499	4.6
91.25996	2.4
93.07057	25.9
95.04964	4.3
95.08621	30.7
97.02890	2.3
97.10185	4.7
99.04470	3.3
102.09201	4.3
105.07056	3.2
105.29094	2.3
107.04971	4.5
107.08559	13.1
109.10159	4.1
117.07024	4.2
119.08587	6.9
121.06524	5.1
121.10148	10.3
121.81246	2.2
123.11713	2.1
132.10240	3.2
133.08618	14.5
133.10107	2.3
135.08096	2.5
135.11699	31.2
135.13777	2.1
138.52194	2.4
145.10167	16.7
146.11774	6.5
160.44507	2.5
163.11198	31.4
181.12285	7.2
227.12796	61.3
227.14912	4.0
239.23837	2.5
256.26300	12.2
283.15436	52.1
283.26367	41.7
300.28979	24.2
311.29501	4.7
313.27380	94.2
371.22943	5.9
521.38489	56.0
556.52972	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27800	1.5
56.87985	1.6
58.99873	1.9
60.04496	1.8
68.78322	1.5
69.65787	9.5
70.05645	1.6
82.99837	3.2
85.02896	2.9
91.05463	1.9
97.02847	2.6
98.20816	3.0
98.97575	1.6
99.66017	1.7
101.00887	26.9
103.02422	1.9
109.01376	1.7
110.21048	1.5
113.00869	6.7
115.02397	3.3
117.04053	1.9
119.01923	52.3
119.04915	3.8
127.02399	10.1
129.03912	1.8
131.01926	24.5
133.03444	4.0
137.02945	4.8
137.10611	1.6
139.02431	2.6
141.03989	4.4
143.01903	47.5
145.03497	54.8
147.01253	1.9
147.04346	12.8
149.02917	3.9
155.01897	31.8
157.03461	12.7
159.05045	18.0
161.02966	53.2
163.04646	11.0
167.01903	11.6
169.03473	43.2
171.01381	5.0
171.05031	12.6
173.02969	40.3
175.04572	3.5
177.05554	6.5
179.01868	4.9
181.03397	5.9
183.05003	3.5
185.02965	55.7
187.04530	69.4
189.02457	12.6
189.06056	2.8
191.03940	3.5
193.03453	1.8
195.01396	1.8
197.02943	20.7
197.06517	2.1
199.04501	14.6
201.06070	3.8
203.04045	16.8
207.03522	3.5
209.02991	2.3
210.06091	1.6
211.04529	14.4
213.02431	14.0
213.05974	3.2
215.00311	2.9
215.04051	15.7
219.01625	2.4
221.03084	4.0
221.05095	6.5
223.04623	3.8
225.02432	5.6
227.04001	14.0
229.05522	6.9
231.03487	26.2
239.04048	1.8
243.03557	5.3
245.05092	100.0
246.05334	1.9
257.01382	6.8
257.05121	4.5
263.06262	12.9
271.06577	17.5
273.04584	3.6
275.02463	61.6
275.06033	13.2
287.02475	22.6
289.07620	3.9
293.03531	17.6
293.07086	5.2
297.04575	1.8
305.03525	18.9
305.07181	16.4
315.05481	5.6
333.06601	3.5
335.04556	22.5
335.08109	3.2
341.03555	6.3
359.04651	21.7
365.09207	6.1
377.05673	54.0
395.06711	75.4
539.10620	5.2
557.12042	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	556.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42878	0.3
52.41848	0.3
53.03962	0.4
56.96557	0.4
59.70505	0.3
61.01915	0.3
65.69141	0.3
65.73025	0.3
70.00021	0.8
71.48231	0.3
79.05501	0.9
91.05472	0.6
93.07079	1.4
102.32577	0.3
103.05479	6.8
107.04978	1.7
116.98689	0.4
120.08118	100.0
121.06546	0.5
121.08479	0.9
126.58549	0.3
131.04929	2.3
135.96239	0.3
147.04417	1.4
149.05983	2.9
160.66467	0.3
166.08656	48.4
167.07082	2.7
167.08940	0.3
171.08138	0.3
181.08640	1.7
211.09665	3.3
221.12956	0.3
268.79782	0.4
338.12668	0.3
506.48761	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.9
55.05517	9.0
57.03421	4.9
57.07061	8.3
61.02916	7.6
67.05490	8.4
69.03101	2.3
69.03425	15.5
69.07064	9.9
70.06594	2.2
71.13168	2.6
71.13506	3.1
79.05524	2.3
81.03413	5.2
81.07061	34.0
83.08640	11.1
85.02911	100.0
87.04449	1.8
91.03947	4.4
95.08611	42.7
97.02898	22.3
97.10189	14.2
99.04438	2.8
99.08054	2.3
99.35967	1.7
109.02867	8.2
109.10160	56.2
115.11179	2.1
121.10161	2.8
123.10823	3.2
123.11720	64.7
127.03923	25.9
129.78331	2.0
137.13260	24.0
145.04968	57.8
163.06038	32.9
164.56456	2.0
177.16396	2.2
179.17973	63.1
191.10477	2.2
197.19037	69.5
355.03137	2.1
359.24146	5.9
425.02359	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	555.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.6
55.01875	26.0
55.05269	1.8
55.05518	27.9
57.03452	7.8
57.03667	1.5
57.06824	1.7
57.07082	17.5
59.05021	2.2
62.40684	1.3
65.03939	6.1
67.05511	80.7
69.03422	2.4
69.07072	45.7
71.04990	5.4
71.08641	11.8
71.55437	1.8
73.06562	2.9
77.21451	1.4
79.05496	76.0
81.03423	15.0
81.07062	85.4
83.04990	17.0
83.08631	14.5
85.06555	3.1
85.10190	7.4
91.05488	86.4
93.07047	67.4
95.01361	11.3
95.04978	28.8
95.08613	57.5
97.02888	2.0
97.06538	58.4
97.07153	3.1
97.10167	7.0
98.98472	45.6
99.04481	1.4
99.08104	2.2
103.05509	3.0
105.04524	4.0
105.07034	88.9
107.04965	27.4
107.08604	28.2
109.02872	2.5
109.06546	7.5
109.10170	17.8
111.04410	3.5
111.08109	4.9
113.09676	1.8
113.29846	1.5
115.05468	2.4
117.07030	19.4
119.08591	45.0
121.06499	7.0
121.10145	13.9
123.04484	4.0
123.08075	8.2
123.11709	4.0
125.09655	3.0
128.06209	3.6
129.07001	15.6
130.07794	1.6
131.08574	27.2
133.06483	3.2
133.10143	41.1
135.08098	3.9
135.11714	9.3
137.02394	1.3
137.09639	2.5
137.13223	1.4
139.07556	3.7
141.07016	2.1
142.07870	1.7
143.08589	10.9
145.06516	4.8
145.10130	23.3
147.08066	3.9
147.11700	33.5
147.16722	1.3
149.09616	10.8
149.13310	4.1
151.11179	2.7
155.01051	54.0
155.08592	4.0
157.10199	3.6
159.08086	1.7
159.11679	13.3
161.09683	3.4
161.13269	15.4
162.62318	1.3
163.11224	6.4
163.14960	1.4
164.09303	1.7
165.09167	2.9
166.09166	1.3
169.10176	4.7
171.11707	16.3
173.13300	4.1
175.14848	1.8
177.12766	4.7
177.75691	1.4
179.14322	22.0
183.11777	3.0
185.13269	2.5
185.92859	1.6
187.11198	4.7
187.14847	2.5
189.12744	8.3
197.13341	2.7
207.13837	8.6
211.14957	1.8
229.19565	3.3
239.17972	2.0
239.23781	4.9
241.14328	1.5
247.20610	3.6
257.18958	8.1
263.16412	1.8
269.21237	3.5
275.20084	100.0
279.15894	9.1
281.17526	2.8
291.19540	2.0
291.79001	1.9
292.19888	3.2
293.21078	11.2
304.67783	1.5
313.27380	37.8
317.06363	4.0
331.22824	1.5
349.23837	4.7
389.87808	1.7
393.24216	3.3
401.29007	3.1
464.73080	1.6
478.11395	1.7
488.15079	1.4
520.33612	2.1
537.35992	2.2
555.23199	2.5
555.37048	51.9
569.12848	1.6
573.15283	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.9
55.05513	5.4
57.07075	4.3
64.17762	1.2
65.03932	1.9
67.05506	11.6
68.99792	2.5
69.07087	11.1
69.23015	5.8
69.23449	5.6
71.08611	1.5
77.03908	1.6
79.05069	1.9
79.05500	21.9
81.07063	10.1
83.04989	2.4
83.08630	3.5
83.37306	1.3
91.05481	13.0
93.07054	29.5
95.04964	3.1
95.08630	11.5
97.06573	2.8
97.10184	1.6
103.05466	2.8
105.07038	23.2
107.04971	2.5
107.08607	24.3
109.06538	1.6
109.10162	9.1
115.05473	1.3
117.07060	6.3
118.04144	3.5
119.04920	1.7
119.08592	13.2
120.05716	1.4
121.02851	3.1
121.06517	21.0
121.10155	18.5
123.11710	5.5
129.07010	8.2
131.08589	7.9
133.06512	30.6
133.10150	27.6
135.04420	2.3
135.08072	13.9
135.11711	33.5
137.13243	3.1
141.06958	2.5
142.07799	2.0
143.08589	4.2
145.06499	3.4
145.10081	6.6
146.38356	1.3
147.08060	3.8
147.11700	10.5
149.13283	11.6
155.08583	3.0
156.09407	2.3
157.06502	3.7
157.10159	5.4
159.08092	2.6
159.11739	4.6
161.05994	100.0
161.09662	3.9
161.13281	5.3
163.11206	5.6
165.07100	1.7
167.08534	2.3
169.01363	4.3
169.10135	2.7
171.08116	2.7
171.11684	11.8
173.09612	2.7
173.13297	3.5
175.11153	2.1
175.14786	2.3
179.08600	2.0
180.09415	1.3
181.10149	3.5
183.11684	2.8
185.09679	2.1
185.13289	4.4
187.07491	2.4
187.11180	1.8
187.14893	3.1
189.12805	4.7
193.10153	2.2
195.11699	4.6
197.05922	1.4
197.13300	1.5
199.11263	4.2
199.14839	1.8
201.12787	2.9
203.07050	4.3
203.12666	1.3
203.14378	5.3
207.11705	1.7
209.09819	1.5
209.13246	2.8
211.07462	1.4
211.11119	2.3
213.12724	3.6
215.07161	1.7
217.12277	8.4
221.13240	2.1
223.11238	2.6
223.14844	3.2
225.05441	1.8
227.07043	2.6
227.10622	2.0
227.17958	1.7
229.05034	1.6
231.06667	2.9
231.10083	1.9
235.11163	1.8
237.12805	1.4
241.08694	1.4
243.06595	2.1
247.06081	5.5
247.14793	1.4
249.12862	2.2
251.17958	3.8
253.08813	1.8
253.15755	1.4
255.10258	1.6
257.11783	1.5
265.19495	5.5
267.10077	2.1
269.18924	3.1
279.17325	1.7
281.11649	2.3
283.13058	1.7
285.07648	5.4
285.11249	19.2
291.13959	1.5
293.18997	1.6
299.13013	1.6
303.12329	10.5
307.24246	17.5
323.23642	1.6
325.25302	17.9
333.18604	1.7
335.23700	8.3
337.14505	2.0
347.16391	2.4
353.24524	1.7
357.22086	1.5
361.17935	3.1
365.17432	3.4
365.24631	2.1
371.18710	2.2
375.22934	8.5
379.19000	5.7
385.21793	2.4
393.24448	6.4
397.20465	1.9
403.17844	1.7
403.22726	26.0
403.27548	2.5
405.53748	1.6
415.19217	3.8
419.18503	15.1
421.23810	39.0
433.19830	2.9
439.24881	26.8
495.25269	1.6
509.30524	2.4
527.31500	3.9
537.29987	16.6
555.31342	22.8
555.39813	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	555.311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53905	1.6
53.03936	3.6
55.01868	2.1
55.05525	4.2
57.07074	3.7
67.05517	11.3
68.99776	3.0
69.07084	9.4
71.47297	1.9
73.04755	7.7
73.22420	1.6
79.05502	22.9
81.07065	10.4
82.78184	2.0
83.04989	2.5
83.08617	4.3
91.05434	8.0
91.05828	9.2
92.05776	2.3
93.07050	30.3
95.04976	2.1
95.08611	8.0
97.06540	2.3
97.10195	2.3
103.05470	2.9
105.07043	22.0
107.08614	26.2
109.06560	1.7
109.10178	8.1
114.07378	3.2
115.05520	2.6
117.07034	6.7
118.04166	4.2
119.08601	14.1
121.02882	2.9
121.06519	18.9
121.10147	18.5
123.11713	3.6
129.07010	5.9
131.08562	6.6
133.06519	27.1
133.10144	24.7
135.04407	1.6
135.08095	10.8
135.11707	32.7
137.13286	2.0
141.06973	2.5
142.07803	2.3
143.08563	5.5
145.10106	4.9
147.08060	4.4
147.11685	10.1
149.09555	1.9
149.13306	9.5
155.08542	3.4
157.06458	2.5
157.10130	4.0
158.10907	2.0
159.08029	3.6
159.11697	3.9
161.06003	100.0
161.09633	4.5
161.13258	4.6
163.11198	4.5
165.07033	2.8
167.08601	2.9
169.01353	5.5
169.10129	2.9
170.10902	2.0
171.08022	3.2
171.11714	9.3
171.64136	2.0
173.13310	3.6
175.11249	1.8
181.10141	2.5
183.08086	2.2
183.11823	2.2
185.09605	3.3
185.13220	4.5
187.11218	2.3
187.14847	4.1
189.12794	3.2
195.08023	2.0
195.11674	2.3
197.09586	1.9
197.13283	2.6
199.11159	5.5
199.14604	2.4
201.12756	3.4
203.07074	3.8
203.14362	8.5
205.69887	1.8
209.09612	3.2
209.13272	3.4
213.12798	2.4
215.03305	2.1
215.10773	2.2
217.12265	9.1
221.13184	2.1
223.06375	6.3
223.14948	2.8
224.06412	3.9
225.04155	9.9
225.16508	2.4
226.04401	7.1
227.02057	2.6
237.12672	2.6
241.05028	2.1
243.06555	4.1
247.06006	4.7
251.18025	2.8
265.16913	1.8
265.19522	6.4
269.18991	5.5
275.17664	1.9
281.11761	3.0
285.00940	4.2
285.07590	7.4
285.11224	19.8
286.01013	4.9
293.18814	3.3
299.06140	4.1
300.06079	4.2
303.12335	10.4
307.24225	14.1
325.25269	14.0
335.23761	9.4
355.06888	5.1
356.07062	12.1
361.17883	3.0
365.17468	2.9
371.09836	2.4
372.10236	2.6
375.23416	9.1
379.18961	4.7
383.18530	2.9
393.24252	7.1
403.22806	22.5
415.19070	3.6
419.18686	13.6
421.23785	32.1
433.19870	3.0
439.24838	26.9
527.31744	3.6
537.29999	16.6
555.31305	26.8
555.40094	3.4
576.16010	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
53.84158	1.8
54.21091	2.0
55.01882	2.4
55.05499	6.0
57.07075	4.2
61.02919	2.7
67.05489	8.0
67.15849	1.9
69.03433	10.1
69.07076	12.6
70.06570	3.6
71.04996	3.9
71.55119	3.4
71.55518	2.3
77.28131	1.8
79.05502	7.0
81.03413	3.3
81.07066	26.3
83.08601	8.3
85.02914	29.3
85.06533	6.8
91.05482	5.2
93.07068	13.9
94.39688	2.3
95.08613	38.4
97.02895	7.3
97.06536	2.0
99.08089	8.4
105.07010	4.4
107.07973	2.5
107.08617	33.2
109.02869	4.3
109.10146	13.3
119.08570	4.6
121.10150	43.6
123.04436	2.0
123.11717	5.3
125.09642	36.5
127.03952	9.9
133.10135	4.1
135.11659	10.0
136.07532	2.1
137.13277	15.4
145.04977	9.7
147.04366	3.3
148.04759	2.1
149.13249	5.7
152.06906	1.9
163.06073	5.0
175.14850	4.7
177.16393	100.0
179.17905	5.8
181.04956	2.0
182.08162	4.4
195.17455	53.9
213.18481	35.7
238.13644	2.3
244.11470	2.3
288.08377	2.1
384.83002	2.6
452.70227	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	555.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.5
57.07075	7.4
60.71819	3.8
67.05505	13.8
68.99785	4.1
69.07061	12.7
71.08597	3.8
71.55748	3.3
71.56180	4.6
79.05508	22.3
81.07063	17.4
91.05479	16.4
93.07051	34.7
95.04945	7.1
95.08614	12.2
103.05454	3.5
105.07055	21.4
107.08582	23.4
109.10174	7.3
115.32919	3.4
117.07033	8.8
119.08594	11.3
121.06512	18.4
121.10146	24.9
123.11726	5.7
129.07016	5.7
130.29922	3.3
131.08586	8.8
133.06541	23.1
133.10144	27.7
135.08041	10.3
135.11713	30.2
137.13335	4.6
142.07680	4.1
143.08508	4.5
143.62848	3.9
145.10158	8.5
147.08127	5.8
147.11691	5.7
149.13258	8.9
157.10141	4.9
159.11696	5.0
161.06000	100.0
161.07275	7.5
161.09700	4.3
161.13297	9.6
163.11198	6.8
171.11662	5.5
173.13367	5.2
185.13312	5.0
195.11742	5.8
199.11177	5.9
209.13306	4.4
213.12721	4.0
217.12259	3.5
226.32501	4.3
231.06599	4.2
247.06004	4.7
251.17908	3.8
285.07806	7.7
285.11163	20.2
303.12234	7.6
307.24222	18.5
325.25168	13.2
353.44925	4.5
365.17624	4.8
375.23038	9.5
379.18973	5.2
393.24341	6.8
403.22937	20.6
415.19043	5.4
419.18518	15.1
421.23904	31.8
439.24783	18.5
470.27725	4.5
481.22183	4.7
537.29785	15.0
555.30804	16.0
579.79523	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	553.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
71.46540	1.0
74.53143	0.5
75.36139	0.5
91.44543	0.5
117.06014	0.5
134.43024	0.4
148.83926	0.5
260.19910	0.5
276.04453	0.5
283.18787	10.0
293.20856	1.1
311.21863	3.0
553.40796	100.0
554.41217	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01859	0.4
55.05310	0.4
55.05515	4.1
57.07071	0.7
67.05516	3.1
69.03445	1.1
69.07072	6.5
70.06586	0.7
71.04985	1.7
78.76613	0.4
79.05503	3.7
81.03436	0.8
81.07065	10.8
83.08626	4.8
84.83251	0.4
85.02899	3.9
91.03941	0.5
91.05488	2.3
93.06478	0.7
93.07047	9.2
95.04966	0.9
95.08612	24.3
97.02892	1.1
97.10180	3.0
99.08093	3.5
103.05499	0.5
105.07039	1.9
106.04205	0.6
107.08604	22.1
109.06416	0.6
109.10152	4.6
113.09654	2.6
119.08578	1.8
121.06566	0.6
121.10152	31.2
123.08092	0.5
123.11699	1.1
125.05943	0.5
125.09643	0.9
127.03919	0.7
133.10062	0.6
135.10805	0.7
135.11699	6.1
137.13255	2.7
138.05475	0.8
145.04997	1.4
149.05934	1.0
149.13252	2.8
157.10081	0.6
159.06441	0.4
161.13274	0.6
163.06055	0.6
175.14857	0.6
177.16396	100.0
178.16766	0.7
181.08592	1.1
195.17456	10.8
209.08063	2.2
223.05969	0.7
243.17671	0.6
243.53622	0.5
282.02451	0.5
301.56180	0.6
306.80145	0.5
330.11987	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
54.04021	0.9
55.05501	3.5
57.03433	1.5
60.78120	0.9
61.02927	1.6
66.45117	0.9
67.05499	2.1
69.03417	3.3
69.07074	6.9
69.93082	0.8
70.06583	4.2
70.83019	2.2
71.04998	1.2
79.05496	2.8
81.03417	1.4
81.06649	1.0
81.07077	10.2
83.08627	5.2
84.08147	1.5
85.02436	1.3
85.02915	18.3
85.06541	1.5
86.09697	1.8
91.03900	0.9
91.05496	2.8
93.07059	7.8
95.08614	18.6
97.02882	4.1
97.10197	2.4
98.97601	1.2
99.08104	12.2
105.07037	2.6
107.08604	22.2
109.02859	1.8
109.10181	5.2
111.08064	4.2
111.11772	1.0
120.08042	1.5
121.10156	37.6
123.11688	1.3
125.09612	2.6
127.03906	3.4
129.10248	1.8
130.39005	0.9
133.10143	1.5
135.11714	8.1
137.13225	4.6
139.03934	1.1
145.04961	11.0
147.04434	1.4
149.13252	3.7
163.03905	1.2
163.05980	3.0
177.16400	100.0
178.16785	1.2
190.36118	1.0
195.17473	20.4
197.92087	1.2
213.18517	46.2
248.71811	0.9
314.12192	1.8
351.08743	1.1
374.14557	1.3
392.15408	1.2
429.04507	1.4
501.59097	1.1
554.18774	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	553.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.9
55.05513	15.2
57.03462	2.5
61.02905	2.8
67.05515	14.5
69.03427	3.3
69.07071	8.7
69.39634	18.5
70.06595	2.6
71.04989	2.7
79.05490	5.9
81.03426	2.8
81.07066	41.5
83.04967	5.7
83.08624	9.7
85.02906	23.9
85.06501	2.6
91.05470	10.0
93.07034	5.7
95.08611	8.9
97.02859	4.5
99.04507	2.7
99.08120	3.2
100.11260	29.8
101.11604	4.1
105.07043	21.8
107.08611	6.6
109.06554	4.4
111.04443	4.6
119.08581	16.3
121.10140	16.4
123.08044	3.4
123.11726	22.8
126.09097	2.3
126.61231	2.2
127.03909	7.6
127.07576	3.4
128.06999	2.5
133.10132	4.3
137.05974	4.5
137.13260	3.0
145.04956	4.6
147.11707	58.0
165.12775	32.5
182.15376	14.6
183.13846	14.8
183.15327	2.2
193.12303	5.4
209.16478	4.6
210.14955	8.2
210.16805	3.0
211.13324	7.9
229.12086	4.9
229.14374	100.0
230.14665	3.0
272.85297	2.4
552.44928	17.4
553.45374	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	553.2781
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
52.36073	2.4
53.42566	2.6
54.48802	2.3
55.05514	3.8
55.60175	2.7
55.90286	2.4
56.96560	11.5
67.05501	8.9
69.07068	4.0
71.55933	3.1
79.05515	6.8
81.07047	6.9
82.03347	2.5
83.08578	3.5
83.39838	2.4
95.08626	4.1
98.97591	24.4
109.10188	5.7
112.99149	10.9
116.98647	7.5
119.08586	4.8
131.00197	10.4
143.00256	3.9
149.01241	7.9
158.99661	7.9
161.01210	4.0
177.00708	10.7
199.02718	3.5
200.02281	3.0
275.04388	3.8
293.05389	14.9
317.17871	34.5
335.19012	7.3
553.27679	100.0
553.35498	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2991
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
55.05507	0.9
60.96450	0.6
67.05508	1.2
71.55637	1.0
79.05500	1.2
81.03453	0.6
81.07054	0.7
83.01095	1.0
91.05493	1.5
92.83427	0.6
93.07065	0.7
95.01130	0.6
133.03490	0.9
134.22318	0.5
143.01924	1.0
185.04262	1.3
193.40938	0.5
201.03764	1.0
203.05319	1.6
259.08026	2.0
299.18661	0.7
313.56012	0.6
317.19727	1.8
331.10104	2.1
335.20758	1.3
373.14798	0.9
377.21674	0.7
391.24707	0.7
415.19315	0.8
452.20508	0.7
455.12604	0.7
455.22546	0.7
483.22296	1.7
535.27777	0.7
553.29907	100.0
554.30219	2.0
561.50793	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.408
Annotation	Unknow
Peak:m/z	Relative Intensity
62.95805	0.3
66.06008	0.3
70.19883	0.8
70.20287	0.8
81.07062	0.5
90.27200	0.3
93.51508	0.4
106.63236	0.3
111.47707	0.4
127.16489	0.4
147.11667	0.5
161.15073	0.3
163.48447	0.3
254.07994	0.4
265.17773	1.4
283.18802	2.7
286.78030	0.4
293.20898	0.5
311.21970	6.8
360.27563	0.5
360.86581	0.4
360.91650	0.4
471.11011	0.4
491.41159	0.6
553.40802	100.0
554.41241	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
59.98833	0.6
69.20044	3.1
69.20463	4.4
72.25949	0.7
79.05518	0.7
81.07030	1.3
90.76675	0.8
95.08605	1.6
121.10140	0.8
123.32043	0.7
139.40549	0.9
172.45801	0.7
250.62102	0.7
265.17825	2.3
283.18842	2.4
293.20862	1.3
311.21899	7.2
370.00131	0.7
553.40778	100.0
554.41016	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.5
55.05511	13.2
57.07077	12.1
67.05518	28.0
69.07061	24.7
71.08639	6.6
71.55620	7.4
78.49692	4.7
79.05501	25.1
81.07055	40.2
83.08623	12.9
91.05481	36.8
93.07042	46.4
95.08620	50.2
97.10132	5.6
103.57247	5.2
104.97572	5.3
105.07040	59.4
105.40447	4.5
107.08613	57.7
109.10175	40.9
117.07033	12.9
119.08594	100.0
121.10155	50.9
123.11699	16.8
129.07005	10.0
130.07777	9.9
131.08559	32.5
133.10146	56.4
135.11691	42.7
142.07838	12.2
143.08577	15.8
145.10121	67.1
147.11676	22.9
152.85100	5.5
153.06956	5.3
156.09303	6.9
157.10181	25.5
158.10797	5.6
159.11700	31.1
161.13261	9.4
169.10097	12.6
171.11710	24.3
173.13283	29.0
175.14850	38.9
179.08731	8.1
183.11705	20.3
185.13251	16.8
187.14772	7.9
193.10083	10.3
195.11685	11.0
197.13319	15.1
199.14865	6.6
201.16386	8.2
205.15884	5.6
208.12552	6.7
209.13252	16.2
211.14853	15.2
213.16325	7.4
223.19666	6.0
225.16429	6.9
267.21136	8.7
327.07846	12.1
416.87390	5.2
431.95081	5.7
451.77768	6.2
495.26364	9.4
499.01453	6.0
551.42426	31.1
554.13989	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	552.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	6.6
56.13660	2.1
67.05512	5.9
69.03443	4.9
69.07073	10.8
70.06588	9.1
71.04988	7.3
71.54977	4.4
72.08161	2.5
79.05476	6.1
81.07054	11.2
83.08615	4.4
84.08131	2.6
85.02897	11.6
86.09709	4.8
91.05506	15.2
93.07031	8.2
95.04984	2.3
95.08617	9.5
97.02883	3.7
100.11272	2.5
105.07039	26.5
107.08608	16.1
109.10175	4.1
117.07027	6.9
119.01638	3.4
119.08589	88.1
120.08133	2.4
121.10143	3.8
122.02734	3.2
124.03966	2.9
133.10123	22.5
135.11652	3.1
136.07590	3.0
138.05540	5.2
143.08562	2.7
145.04962	5.5
145.10094	3.5
147.11710	7.3
161.05989	5.1
163.03957	2.6
175.14836	100.0
215.09169	5.0
220.39291	2.2
235.09605	3.2
340.72711	2.8
358.12827	3.0
376.67087	2.5
389.63715	2.4
390.19763	3.7
552.17505	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	551.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06200	0.6
62.60469	0.6
71.55032	0.9
77.79141	0.6
91.05486	2.3
98.97624	0.7
115.05454	0.9
117.05743	0.9
117.07040	1.1
118.06554	18.9
128.06160	0.7
130.06525	1.0
132.08099	5.5
142.06502	1.9
142.56169	0.6
143.07254	1.8
144.08098	12.2
146.06020	59.7
147.04416	3.1
147.06348	0.9
159.09167	6.0
160.07597	0.8
170.06032	5.2
177.05470	0.8
188.07074	100.0
189.07434	1.0
205.09727	35.5
249.35831	0.6
473.49435	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.5
53.03942	4.7
53.30315	1.2
55.05514	14.2
57.07078	7.4
59.71225	1.3
63.06940	1.1
65.03944	3.1
67.05506	26.6
68.59129	1.2
69.07072	20.1
71.08611	1.5
71.32790	2.4
74.15273	1.1
77.03918	1.3
79.05496	21.1
80.88742	1.0
81.07062	41.5
83.04990	1.4
83.08616	8.4
85.06557	2.2
85.10244	1.3
91.05486	38.1
93.07050	52.7
93.07636	2.6
95.04973	4.0
95.08613	40.3
97.10159	2.4
103.05489	4.0
105.07036	68.8
107.08599	53.8
109.06522	2.0
109.10163	39.2
115.05459	3.4
116.06248	2.4
117.07027	14.0
119.08587	100.0
121.10149	49.7
121.11036	2.2
123.08086	2.5
123.11694	11.9
128.06219	5.3
129.07007	10.0
130.07808	9.9
131.08571	30.2
133.10135	58.5
135.11696	37.3
135.86459	1.2
137.09615	2.3
139.11197	1.4
141.07022	3.2
142.07776	10.3
143.08559	21.6
144.09334	5.8
145.10130	62.2
147.11687	20.7
149.09619	2.2
149.13246	7.8
153.06967	2.4
154.07819	2.0
155.08554	9.9
156.09346	10.6
157.10129	35.7
158.10950	6.0
159.11700	35.6
159.56747	1.2
161.09555	1.5
161.13272	11.5
163.11185	2.4
163.14850	3.3
165.06947	2.1
167.08597	5.3
168.09363	3.1
169.10164	14.2
170.10899	2.7
171.11703	18.9
172.12451	3.0
173.13271	23.5
175.14828	36.0
179.08597	5.3
180.09303	1.7
181.10127	9.8
182.10942	5.1
183.11694	14.2
184.12430	2.6
185.13242	15.3
187.14828	14.2
189.16406	2.8
193.10156	7.0
193.54187	1.2
194.10852	4.3
195.11656	10.3
196.12418	4.3
197.13269	18.6
199.14835	8.1
201.16411	13.5
203.14354	1.3
205.15831	1.9
206.10941	2.9
207.11725	8.9
208.12437	4.6
209.13295	13.1
210.13890	3.2
211.14845	9.7
213.16418	5.2
219.11806	1.8
219.17433	3.1
220.12517	2.5
221.13278	4.8
222.14003	2.1
223.14745	13.0
224.15781	1.6
225.16360	5.5
227.18010	1.9
231.11676	2.3
233.13277	1.6
234.14154	1.6
235.14830	5.1
236.15672	2.1
237.16359	4.4
238.17142	1.6
239.18047	2.6
241.19585	3.1
245.13295	1.6
247.14899	3.3
248.15790	1.6
249.16364	4.6
251.17932	3.1
253.19531	3.0
259.20483	1.5
261.16464	2.6
263.17914	2.5
265.19589	1.8
267.21078	3.3
271.20419	1.7
275.17780	3.2
277.19467	2.5
279.21088	2.6
283.20490	2.8
285.22226	2.6
289.19525	2.7
291.21103	1.4
317.22601	1.7
319.24081	1.9
331.24362	1.5
333.25800	1.7
345.25681	3.9
347.23532	1.5
413.31894	1.4
429.31830	1.8
495.36215	2.5
533.41284	2.9
551.42487	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	549.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.6
55.01876	8.8
55.05513	26.3
57.03446	9.9
57.07074	8.7
57.26377	2.6
60.89492	2.9
65.03932	3.6
67.05511	87.7
69.03448	5.0
69.07074	27.8
71.04995	11.1
71.08639	3.4
74.31504	3.0
79.05505	47.0
81.03414	5.5
81.07066	100.0
83.05008	8.2
83.08607	9.5
85.06557	7.1
91.05489	59.1
93.07047	53.1
95.04987	9.2
95.08614	50.6
97.06506	3.7
97.10164	5.9
99.04477	6.2
99.08105	3.2
105.07040	56.6
107.08594	57.2
109.06553	6.1
109.10165	82.3
111.08095	3.0
113.06045	4.0
117.07056	6.7
119.08570	16.1
121.10148	20.2
123.08097	4.1
123.11731	17.6
127.07504	3.9
131.08551	9.2
133.10147	92.4
135.11678	14.7
137.13248	4.2
143.08569	3.3
145.10143	9.5
147.11722	10.9
149.13295	6.8
151.11186	46.3
159.11728	6.8
161.09598	3.1
161.13319	5.9
163.14848	8.0
169.12280	9.1
173.13246	6.6
175.14836	3.5
193.12355	6.6
211.13315	4.5
215.12904	3.8
243.21109	6.3
253.14378	99.0
261.22150	30.1
271.15445	39.4
279.23331	5.7
317.24847	7.0
335.25861	29.7
411.32922	3.9
439.32016	8.3
457.33090	7.3
513.35553	11.6
531.36682	23.4
549.41541	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	549.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.6
55.01876	8.8
55.05513	26.3
57.03446	9.9
57.07074	8.7
57.26377	2.6
60.89492	2.9
65.03932	3.6
67.05511	87.7
69.03448	5.0
69.07074	27.8
71.04995	11.1
71.08639	3.4
74.31504	3.0
79.05505	47.0
81.03414	5.5
81.07066	100.0
83.05008	8.2
83.08607	9.5
85.06557	7.1
91.05489	59.1
93.07047	53.1
95.04987	9.2
95.08614	50.6
97.06506	3.7
97.10164	5.9
99.04477	6.2
99.08105	3.2
105.07040	56.6
107.08594	57.2
109.06553	6.1
109.10165	82.3
111.08095	3.0
113.06045	4.0
117.07056	6.7
119.08570	16.1
121.10148	20.2
123.08097	4.1
123.11731	17.6
127.07504	3.9
131.08551	9.2
133.10147	92.4
135.11678	14.7
137.13248	4.2
143.08569	3.3
145.10143	9.5
147.11722	10.9
149.13295	6.8
151.11186	46.3
159.11728	6.8
161.09598	3.1
161.13319	5.9
163.14848	8.0
169.12280	9.1
173.13246	6.6
175.14836	3.5
193.12355	6.6
211.13315	4.5
215.12904	3.8
243.21109	6.3
253.14378	99.0
261.22150	30.1
271.15445	39.4
279.23331	5.7
317.24847	7.0
335.25861	29.7
411.32922	3.9
439.32016	8.3
457.33090	7.3
513.35553	11.6
531.36682	23.4
549.41541	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	550.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.3
61.01146	0.3
63.02365	0.3
69.03445	0.7
70.06615	1.6
71.01385	1.5
73.02914	1.9
78.03471	0.6
78.04700	0.3
79.05476	0.4
83.01369	0.4
84.04506	0.5
85.02914	3.3
85.40543	0.4
86.09713	0.7
89.03925	6.0
91.05484	0.8
93.07061	0.5
95.01342	0.6
96.04493	0.4
97.02882	0.6
98.20699	0.7
98.97632	0.4
101.02398	0.8
105.07050	0.3
106.02935	1.9
106.04150	0.4
113.02372	1.6
117.03388	16.7
118.06894	0.6
124.03963	4.9
131.03419	0.6
134.03625	1.1
135.04420	1.3
137.06013	0.4
141.01811	0.6
145.02858	46.7
146.03125	0.3
149.05991	5.9
163.03957	0.5
175.08609	0.3
177.05484	100.0
178.05812	1.1
180.06548	1.8
185.84850	0.3
186.05518	0.6
187.10966	0.4
198.07602	0.7
251.09174	6.8
286.04736	0.4
301.06992	0.5
302.07257	1.0
303.78589	0.3
356.09540	0.4
371.11752	0.3
374.12399	4.1
389.13626	1.8
427.12506	3.1
550.14795	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01870	6.6
55.05503	4.8
56.05025	1.3
57.03424	1.1
58.99590	8.3
67.05503	3.7
67.16853	0.9
67.83572	0.9
69.03442	2.3
69.07053	2.0
70.06586	1.9
71.55254	1.1
72.04516	4.0
72.08158	1.4
72.77122	1.0
74.00671	1.2
76.02228	36.6
79.05485	3.4
80.15435	0.9
81.03423	16.6
81.07075	6.3
83.04984	3.7
83.08613	5.0
84.04498	12.0
85.02910	1.6
86.99083	1.9
88.02207	1.8
88.16159	0.9
90.05557	22.9
91.05492	5.3
92.01665	1.5
93.07055	1.8
95.04971	5.8
95.08618	1.5
97.02921	1.9
97.10175	1.1
104.01703	4.6
105.07043	2.7
107.04955	1.5
107.08600	1.8
111.08062	1.9
116.01683	14.3
119.04969	1.3
119.08601	3.0
120.08062	1.9
121.10114	1.8
123.08049	1.0
126.05542	2.4
127.05007	5.0
129.07043	1.2
130.03268	1.6
130.05002	8.4
131.08569	2.8
133.10100	2.1
141.04849	1.1
141.06569	0.9
142.03259	4.6
144.06537	1.8
145.06122	2.0
147.08076	1.0
147.11710	1.7
157.10129	2.4
158.02708	50.0
159.07639	1.5
161.05881	1.2
170.02687	1.8
175.05379	7.7
175.11166	2.9
176.03769	18.5
185.03802	1.4
187.05371	2.0
191.04857	10.9
193.06432	100.0
193.12250	10.1
211.13293	19.5
215.04865	3.0
231.04436	1.3
233.05862	10.7
241.06459	2.3
259.07397	1.1
268.13800	1.4
294.16788	1.2
295.06018	1.1
296.06195	1.3
302.08044	1.1
304.09583	3.0
305.08188	1.3
320.09088	1.1
322.10684	47.2
466.08804	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1243
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
70.61551	0.3
73.65447	0.1
81.03410	0.1
85.02899	0.4
95.08586	0.1
103.05482	0.1
109.02892	0.1
127.03972	0.2
137.05986	0.6
149.06007	0.1
151.03891	0.1
152.74144	0.1
153.01796	0.7
167.06998	0.3
188.59544	0.1
203.39589	0.1
229.04962	0.4
241.04912	0.3
257.04596	0.2
258.05249	14.7
259.05508	0.2
265.38156	0.1
269.04391	0.3
285.03775	0.1
286.04727	36.1
287.05118	0.4
301.07068	100.0
302.07394	1.2
357.13400	0.2
362.67624	0.1
363.18491	0.4
463.12268	1.5
505.13269	0.2
531.11755	0.1
549.12433	2.4
549.19812	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1248
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
55.01873	0.2
57.03466	0.1
67.05529	0.1
68.99812	0.3
69.03444	0.4
70.06585	0.1
70.88084	0.3
79.05497	0.1
81.03432	0.5
81.07071	0.1
85.02922	0.6
87.00871	0.2
89.03949	0.2
91.05491	0.2
97.02885	0.2
97.86109	0.1
98.97608	0.1
99.04473	0.2
105.01875	0.2
107.04987	0.1
109.02888	0.3
111.00893	0.1
115.05466	0.1
117.03402	0.1
117.06982	0.1
119.04962	0.2
121.02943	0.1
121.06518	0.1
122.03663	0.1
123.00835	0.4
123.04410	0.2
124.01591	0.3
127.03941	0.3
129.06998	0.2
131.04955	0.3
133.02792	0.1
133.10132	0.1
134.03642	2.4
137.05981	1.5
139.05396	0.2
143.04919	0.1
145.04945	0.2
145.06577	0.2
147.46378	0.1
149.02354	1.0
149.05995	0.1
151.03958	0.2
152.01054	0.7
153.01846	7.3
153.05421	0.2
157.06522	0.2
159.02954	0.2
161.02373	0.2
163.03859	0.2
167.07089	0.4
170.02148	0.6
171.04457	0.2
173.06018	0.1
175.03952	0.3
181.04994	0.2
184.05209	0.1
185.06006	0.5
187.03899	0.3
189.05502	0.1
191.07166	0.1
197.06013	0.2
199.03944	0.5
201.05568	0.2
202.06245	0.5
203.07085	0.1
212.04680	0.3
213.05486	2.7
229.04973	4.1
230.05742	2.6
231.13979	0.1
235.62981	0.1
240.04143	0.3
241.04977	9.6
242.05608	0.2
245.08153	1.1
254.05727	0.1
257.04501	0.3
258.05334	0.8
268.03766	0.2
269.04471	12.6
270.04892	0.2
273.07590	0.3
285.03961	1.1
286.04739	15.4
287.05157	0.2
301.07083	100.0
302.07452	1.4
336.71451	0.1
357.13516	0.3
364.83789	0.1
387.14569	0.2
416.90616	0.1
463.12271	0.3
548.35144	1.2
549.12146	0.8
549.19873	0.6
549.35107	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	26.3
57.03429	20.3
61.02933	8.1
67.05515	55.4
68.67802	6.7
69.07059	18.4
71.54951	11.0
79.05505	61.8
81.07069	58.0
83.08623	11.4
88.62790	8.8
91.05476	53.7
93.07048	68.6
95.04988	8.9
95.08617	51.9
97.02888	10.2
97.06538	6.2
97.10133	7.0
105.07045	54.7
107.08581	46.5
109.10154	21.3
111.08104	8.1
112.50901	6.9
117.07040	12.8
119.08588	30.6
120.94697	6.7
121.10131	34.6
123.36392	6.8
125.09646	6.4
131.08568	28.0
133.10104	33.6
135.11707	28.2
145.10123	24.4
147.11676	28.0
149.13245	14.1
157.10155	14.8
159.11697	25.4
161.13339	13.9
164.39189	7.2
171.11670	9.0
173.13300	13.3
175.14825	9.7
177.12775	7.6
187.14827	14.1
241.19481	14.3
249.04109	6.7
259.20544	46.6
265.30789	6.4
269.17572	9.1
277.21664	30.5
295.22922	7.1
351.25369	100.0
395.11594	7.0
551.55914	6.6
567.00055	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	549.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83606	0.3
57.29908	0.3
69.03407	0.7
71.55283	0.4
72.08158	0.3
79.05470	0.3
81.03391	0.5
85.02888	0.7
86.09681	0.5
91.05457	0.7
91.61401	0.3
97.02883	0.3
104.32317	0.3
105.07003	0.4
109.02891	0.5
110.03650	0.5
118.04165	1.0
119.04911	0.6
121.02840	0.4
127.03922	0.5
131.04951	0.4
137.05978	0.9
140.01059	0.7
147.04367	0.7
153.05473	0.7
159.02847	0.4
167.07048	1.1
168.00555	3.8
169.01366	0.4
177.05447	0.5
184.05154	0.5
186.01611	2.1
212.04654	0.8
229.05026	0.4
240.04211	0.8
241.05063	0.5
255.06540	0.4
257.04465	0.4
258.05161	1.8
265.19327	0.3
268.03671	0.8
269.04410	0.6
285.03952	6.8
286.04730	58.4
287.05170	0.9
301.07077	100.0
302.07413	1.1
339.12228	0.5
360.29910	0.4
360.34741	0.3
506.91464	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.4
55.01883	4.6
55.05263	1.9
55.05515	22.4
57.03437	6.3
57.07082	14.8
58.00909	1.4
61.30585	1.0
61.87614	1.1
65.03958	3.1
67.05508	62.7
69.03442	2.7
69.07076	16.5
71.01363	1.1
71.04997	5.1
71.08629	12.4
79.05498	38.2
81.03007	0.7
81.03423	33.0
81.07062	70.2
82.07428	1.3
83.04989	6.8
83.08636	19.1
83.75172	1.1
85.02911	11.6
85.06545	3.1
85.10197	4.6
91.05489	29.7
93.07047	30.0
94.05583	1.1
94.07378	1.4
95.04971	26.2
95.08615	45.0
97.06558	5.1
97.10172	5.9
98.05223	1.1
99.08145	2.1
104.10724	1.2
105.07036	24.6
107.04964	7.7
107.08602	16.4
108.05772	1.3
109.02896	2.3
109.06554	3.3
109.10162	19.6
111.04410	1.9
111.08079	6.8
115.05536	1.4
117.07047	4.1
118.33990	1.4
119.08584	18.3
121.06522	2.8
121.10143	13.1
123.04424	14.3
123.08091	1.6
123.11708	8.8
125.09665	2.2
129.07014	5.4
131.08582	10.1
133.06482	1.8
133.10147	12.8
135.08083	3.3
135.11691	10.0
137.09669	2.1
137.13313	4.1
141.07042	1.6
143.08655	3.1
145.10133	8.8
147.08125	4.3
147.11703	9.7
149.09666	4.7
149.13313	2.8
151.11238	1.6
155.08603	1.4
157.10135	7.1
159.11812	1.9
161.13327	2.8
163.11194	6.8
165.12799	2.8
171.11710	2.7
173.09641	2.4
173.13377	1.6
173.83862	1.2
175.11201	5.8
175.14870	2.0
189.12804	2.6
189.16536	1.5
191.10933	1.1
193.12253	24.8
202.40109	1.1
207.13853	2.7
211.13275	26.3
217.12268	2.6
229.51303	1.3
235.13286	20.0
239.23792	2.6
245.22781	2.2
263.23904	4.2
267.16135	4.9
268.16302	1.4
303.26923	1.4
337.27249	2.6
361.27496	1.3
455.35498	3.5
473.36676	2.4
515.37415	4.7
529.38708	10.3
547.40100	100.0
548.40533	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	547.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.5
55.05509	24.3
57.03423	12.6
57.07075	5.0
58.36236	3.2
59.39994	3.8
65.03940	5.2
67.05507	86.3
69.07075	30.0
71.04991	6.0
71.26582	5.7
76.21606	3.4
76.86624	3.8
79.05127	3.7
79.05500	39.3
79.93414	4.3
80.52991	3.4
81.07059	100.0
83.04960	5.7
83.08612	16.3
85.06535	7.8
85.12624	3.6
91.05494	32.9
93.07056	55.1
95.04967	9.5
95.08607	65.6
97.06544	6.0
97.10175	8.3
105.07033	38.9
107.08591	43.8
109.06523	5.4
109.10149	26.5
117.07008	18.4
119.08594	29.7
121.06498	4.9
121.10130	27.6
123.11683	10.8
129.07016	9.0
131.08591	27.3
133.10120	22.8
135.11700	19.5
143.08568	5.8
145.10123	22.4
147.11679	16.8
149.13231	15.4
155.08493	3.9
157.10139	7.8
159.11703	14.9
161.13254	7.0
163.11188	10.9
163.14893	4.8
169.10110	5.6
171.11661	8.7
173.13205	10.6
175.14839	8.0
183.11557	4.8
185.13255	7.2
187.14799	6.4
195.13785	5.7
197.13228	4.2
199.39061	4.3
227.12849	10.9
229.14426	6.5
261.22104	13.7
269.17480	15.5
279.22818	4.3
301.25281	4.3
317.24866	5.2
335.25931	9.4
366.88885	4.1
367.62888	3.9
419.32858	6.1
437.34018	15.3
455.35114	20.5
473.36060	15.4
529.38757	72.0
547.40259	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37473	1.1
52.67585	1.2
53.03934	5.4
55.01867	8.0
55.05511	49.1
57.03438	16.8
57.07072	10.7
65.03934	4.8
67.05506	100.0
69.03418	4.6
69.07071	43.1
69.07456	1.4
69.22524	11.3
71.04993	6.8
71.08625	4.2
72.04524	20.3
73.04849	1.4
77.03883	1.2
79.05495	51.3
81.03421	57.6
81.07060	96.4
83.04989	6.1
83.08625	39.0
85.06541	5.1
85.10190	1.6
91.04907	1.5
91.05482	42.2
93.07047	54.1
95.04969	43.8
95.08607	67.5
97.06536	11.5
97.10172	24.4
99.08096	3.2
101.06052	1.3
101.09615	1.2
105.04518	1.6
105.07032	38.8
107.04946	13.7
107.08598	33.1
107.09299	2.2
109.06526	8.6
109.10155	37.0
111.08088	7.9
111.11734	3.8
115.05488	2.6
117.07005	11.4
119.04981	1.4
119.08584	32.4
121.06532	12.2
121.10156	25.8
123.04464	1.6
123.08074	4.8
123.11717	10.4
125.09599	11.9
128.06210	2.5
129.07002	12.8
131.08575	23.8
133.06468	3.0
133.10129	18.7
135.08087	5.6
135.11702	16.7
137.09644	3.7
137.13245	3.8
141.12769	1.5
142.07764	3.0
143.08588	5.6
145.06514	2.6
145.10156	15.6
147.08058	4.9
147.11684	14.1
149.09639	6.5
149.13284	7.3
151.11111	1.4
151.14853	1.4
153.09129	1.7
153.12752	2.8
155.08551	1.7
157.10139	13.9
159.08076	1.9
159.10567	1.3
159.11671	7.1
161.09608	1.4
161.13249	6.7
163.11174	8.8
163.14836	5.2
164.11549	2.4
165.12798	4.5
169.10182	3.9
171.11757	2.7
173.11783	1.8
173.13274	5.5
175.11186	8.0
175.14810	5.9
177.12769	4.9
177.16331	3.1
181.10211	1.7
183.11812	2.8
185.13284	4.6
187.11143	1.5
187.14876	2.4
189.11244	9.1
189.12712	1.4
189.16386	4.6
191.14330	2.0
193.12236	23.5
197.18791	1.2
197.20767	1.5
199.14775	3.0
201.12668	1.4
201.16426	2.5
203.18015	1.7
205.12241	3.4
207.17450	1.8
209.13351	1.8
211.13316	3.8
211.15038	1.5
211.66986	1.7
220.13327	1.7
223.13208	2.5
227.10736	2.3
227.12659	11.1
228.11043	1.9
228.13100	2.6
233.15428	1.4
234.14954	1.8
235.15186	1.8
241.17976	3.4
245.22696	8.2
249.14832	6.1
253.27568	1.4
255.19551	1.6
261.22171	1.3
263.23685	9.8
267.15909	57.5
275.20126	3.4
285.13129	1.9
287.23819	2.0
289.21692	5.5
301.25235	2.1
303.23425	2.3
303.26727	15.9
305.24893	2.3
329.21378	1.5
337.27371	48.6
341.19519	2.6
343.26300	1.7
361.27594	3.2
363.25287	2.6
396.25562	1.7
397.25787	4.1
407.24451	1.3
419.33087	2.5
421.25909	1.9
427.36084	3.3
435.27258	2.5
437.34122	10.6
455.35208	28.2
473.36304	17.0
491.37415	2.2
493.36386	1.8
503.37341	3.0
511.37921	3.5
526.15625	1.5
529.38910	83.4
530.39130	1.4
547.39978	90.0
548.39972	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	547.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.2
55.01881	4.7
55.05515	41.3
57.03452	8.0
57.07077	6.2
59.05019	2.0
59.95315	1.4
65.03953	4.5
67.05511	100.0
69.03442	3.7
69.07079	27.9
69.30983	10.0
69.31386	3.9
71.05003	38.0
79.05501	55.0
81.03426	29.9
81.07065	76.1
83.05000	9.1
83.08630	26.1
85.06573	4.7
85.10244	2.0
91.04906	2.6
91.05486	45.7
93.07055	67.4
93.07631	3.4
95.04989	27.4
95.08614	51.1
97.06538	8.1
97.10165	17.6
105.07033	32.8
107.05001	7.7
107.08607	35.5
109.06565	5.4
109.10165	48.2
111.08086	8.1
111.11707	1.8
115.05444	2.2
117.07056	10.8
119.08588	28.9
121.06544	6.8
121.10156	25.4
123.08112	3.3
123.11736	6.5
125.09658	10.1
129.07019	3.9
131.08578	17.4
133.10143	15.6
135.08131	2.5
135.11694	21.1
137.09650	14.0
137.13283	2.8
141.07050	1.5
143.08609	5.5
145.10149	14.3
147.08087	4.0
147.11696	10.5
149.13298	7.0
155.10765	2.7
157.10115	8.8
159.11746	7.8
161.13321	6.8
163.11217	9.1
163.14859	3.1
169.12311	4.0
171.11752	4.1
173.11774	2.0
173.13254	4.0
175.11230	3.5
175.14906	4.8
179.14478	1.6
181.12291	4.0
185.13379	3.3
187.14899	2.1
189.11287	5.8
189.16426	2.0
193.12283	11.1
197.13492	2.1
211.13228	2.0
227.12746	11.6
241.18175	1.9
243.16000	2.5
245.22710	2.7
249.15070	2.5
261.22226	2.0
263.23901	6.4
267.15976	26.5
275.20187	1.9
285.26031	2.2
289.21738	3.0
301.25497	2.6
303.23700	2.4
303.26654	8.3
317.24936	1.9
323.25259	1.7
335.25790	2.3
337.27435	22.9
354.42203	1.6
361.27588	2.7
363.25549	2.7
421.26108	2.3
427.35669	2.2
437.34457	4.5
455.35291	15.4
473.36316	12.5
503.37256	11.3
515.37518	4.9
529.38971	46.3
530.39160	2.7
547.40179	88.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	0.4
67.05504	0.4
69.03432	0.6
69.07061	0.4
70.89067	0.7
79.05499	0.5
81.03461	0.3
81.07060	0.8
85.02911	0.5
91.05481	0.5
93.07058	0.2
95.08629	0.3
95.29093	0.2
97.02908	0.3
98.97587	3.9
99.04468	0.2
101.00914	0.3
105.07065	0.4
107.04974	0.5
107.08621	0.4
116.98637	0.9
119.04950	0.8
119.08578	0.3
121.02864	0.2
121.57989	0.3
123.04433	0.3
124.99116	0.5
134.99707	0.3
137.06000	0.7
140.98616	0.3
143.00191	1.1
144.92094	0.3
147.04393	1.3
154.55125	0.2
154.76057	0.2
158.99615	0.4
161.01225	0.4
167.07077	1.0
170.99712	0.8
182.99728	1.0
189.00760	0.8
191.02126	0.2
201.00716	1.3
201.05493	0.9
204.80002	0.3
219.01845	1.1
231.01846	0.4
231.06712	0.4
237.02904	0.6
249.02846	2.1
267.03903	0.6
277.08774	0.3
287.05563	0.5
291.03879	3.4
295.05994	0.5
299.05521	0.8
299.08850	0.4
307.09647	0.3
309.04993	0.3
335.09210	0.3
337.10672	0.3
337.26102	0.5
349.07220	0.3
351.06036	0.6
355.11588	0.5
367.12054	0.3
379.08035	0.4
385.28766	0.7
385.50690	0.3
397.09158	0.4
409.09100	0.3
487.18448	5.4
487.24887	0.4
499.32159	0.3
511.12146	0.4
529.33643	0.4
547.34576	100.0
548.34961	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	547.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	2.2
57.03420	1.4
61.02901	2.3
63.87557	0.6
65.03925	1.1
68.99797	0.7
69.03414	1.2
69.65522	2.4
69.65931	1.1
70.06584	1.0
73.02908	0.6
76.87865	0.6
81.03415	1.2
85.02913	4.2
91.05463	1.9
93.03401	1.7
97.02873	1.6
103.05421	1.0
105.07039	0.8
107.04958	2.8
109.02870	2.4
111.04452	1.2
115.05450	1.0
118.04164	0.6
119.04954	11.1
121.02871	38.5
121.06447	0.9
131.04929	1.2
133.06512	0.9
135.04404	2.0
143.04941	0.6
145.02837	4.9
147.04411	1.7
149.02341	0.9
159.04443	1.4
161.02342	1.1
161.06033	0.7
163.03879	2.4
165.01842	1.4
165.07071	0.9
171.04353	0.9
173.05971	0.8
175.03889	2.3
177.01837	6.3
177.05496	1.1
179.03380	2.5
185.05969	1.4
187.03876	3.3
189.01848	9.8
189.05386	1.2
190.02570	1.6
191.03400	3.7
192.98062	0.7
195.02925	7.5
197.05969	0.7
199.03931	1.8
201.01865	0.8
201.05469	2.0
203.03404	20.1
204.04044	1.2
205.04956	2.5
207.02902	6.2
211.03908	1.2
213.05489	1.8
215.03424	7.6
217.01469	0.9
217.04985	5.9
219.02895	1.9
219.06441	0.8
221.04456	4.2
225.05595	1.2
227.03416	3.0
229.04988	5.3
231.02895	2.4
231.06422	0.9
233.04503	3.7
236.97183	0.6
237.05495	0.8
239.03308	1.6
239.06995	0.9
241.04988	2.6
243.02803	3.4
243.06458	1.2
245.04317	1.4
247.06029	0.9
251.07103	0.8
253.05009	1.2
253.08456	0.8
254.98120	0.9
255.02872	3.5
255.06468	1.4
256.07333	0.6
257.04422	2.8
261.03979	1.2
263.07050	0.8
265.08762	0.8
266.05743	0.8
267.03012	0.8
267.06528	2.7
268.07300	3.5
269.04477	2.5
271.06012	0.8
273.03934	2.0
276.07846	0.6
277.08572	0.8
279.06564	5.8
280.07364	1.8
281.04846	1.3
281.08170	2.8
282.05280	1.0
283.06039	7.9
284.06781	1.2
285.04065	3.0
289.08618	0.7
291.06622	1.5
292.07281	1.8
293.04745	0.9
293.08044	6.8
294.05316	7.8
294.08646	1.5
295.06027	91.1
296.06796	6.7
297.04178	1.2
297.07510	7.6
299.05670	0.6
301.08563	0.9
304.07373	0.9
305.08115	2.6
307.06027	51.1
307.09348	2.1
308.06799	19.2
308.10309	1.2
309.04163	1.4
309.07547	16.4
310.07993	0.9
313.07129	3.5
317.08078	4.6
318.08783	1.4
319.06024	2.6
319.09836	1.6
320.06723	5.5
321.07587	50.6
322.04648	0.7
322.08319	15.6
323.05508	2.6
323.09177	8.9
325.07074	73.2
326.07501	0.9
329.08060	1.8
331.06201	1.3
331.09708	2.0
333.07565	22.0
334.08286	2.5
335.05496	2.9
335.09119	16.3
336.06277	3.2
336.09872	1.2
337.07108	28.9
337.10748	1.8
339.05075	0.9
339.08664	2.2
342.32013	0.6
343.09845	0.8
345.07538	4.2
346.08395	2.5
347.06076	0.7
347.09186	16.6
348.06232	1.1
349.07056	47.7
349.10361	2.9
350.07678	3.3
351.04431	1.6
351.08649	33.7
353.06601	0.9
355.08249	1.3
357.07681	3.2
359.09082	4.3
360.06052	1.2
361.02493	2.4
361.07013	23.7
361.10468	1.2
362.07892	1.1
363.08636	10.5
364.09192	0.6
365.06308	0.9
365.10287	9.1
367.08057	6.3
369.99863	0.8
373.02347	1.8
373.07114	8.1
373.11041	1.1
374.07642	2.9
375.04514	0.9
375.08682	15.1
377.06436	1.7
377.10425	5.4
379.08136	100.0
380.08572	1.9
381.09824	1.7
383.08981	1.0
385.02264	1.5
385.07224	4.8
387.08652	8.7
389.01788	2.1
389.10358	4.2
391.03040	1.2
391.08066	20.8
391.12869	1.1
393.09656	2.8
397.09198	66.9
398.09421	1.2
399.08670	2.1
401.10510	3.6
403.03305	10.2
403.08221	27.1
405.09711	10.5
407.02905	0.8
409.09198	29.3
410.08939	0.7
415.10266	16.3
417.09506	2.2
419.11264	4.6
421.04346	1.8
421.09201	19.2
423.10767	1.1
427.09488	6.3
429.09851	3.7
431.07516	0.9
433.04263	1.2
433.09222	24.0
437.12405	0.8
439.10284	20.0
445.04843	0.7
445.09302	12.7
447.10684	1.3
451.10281	45.9
452.10712	0.7
457.11328	42.4
463.10416	6.1
465.11896	1.4
469.11331	57.6
470.11682	0.9
475.10318	12.5
481.11349	32.1
487.05576	3.4
487.11722	0.7
488.05661	0.6
493.11334	34.2
494.11569	1.0
499.04932	0.9
499.12387	21.4
505.06473	6.6
511.12421	43.3
512.12305	0.7
529.13428	45.0
530.14392	0.9
547.14502	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	547.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71203	2.3
55.01870	7.1
57.03423	2.2
57.91556	2.2
65.03933	2.4
67.05508	2.9
69.03423	2.9
71.44195	3.5
72.40811	2.1
85.02891	5.2
86.09702	4.1
87.04470	5.5
91.05479	7.7
95.04948	2.5
99.01778	2.5
107.04935	7.9
119.04935	17.8
121.02877	47.3
129.10359	2.6
130.56923	2.6
131.04948	3.6
133.10060	2.3
137.05978	7.0
139.03896	2.5
145.02861	6.0
147.04430	12.3
163.03934	3.2
167.07062	5.2
175.03905	4.2
177.01915	3.9
177.05446	2.8
179.03331	5.0
187.03911	5.1
189.01810	13.7
191.03398	9.1
195.02910	10.6
199.03888	3.0
201.05556	10.9
203.03413	19.8
205.04990	4.6
207.02928	8.8
215.03427	17.3
217.04890	5.3
221.04453	4.6
227.03488	3.7
229.04973	4.1
231.02855	2.9
233.04378	3.7
241.05119	3.3
243.02875	5.2
245.04562	3.1
247.72105	2.5
255.06340	2.7
267.06519	4.0
268.07471	5.6
273.03943	2.9
279.06531	7.1
281.07990	4.4
283.06073	23.7
293.08047	7.7
294.05267	14.7
295.06030	97.8
295.09399	5.5
296.06747	9.1
297.07510	16.0
299.05597	4.6
305.08255	5.5
307.06030	74.5
307.09433	3.2
308.06738	20.6
309.07547	35.6
312.06232	5.3
313.06830	4.3
317.08099	6.1
319.05997	11.1
320.06793	9.8
321.07571	56.9
322.04919	3.9
322.08469	9.4
323.05487	6.5
323.09186	9.8
325.07086	66.3
326.07532	4.9
329.07932	5.3
333.07574	49.6
334.08310	6.6
335.05478	7.6
335.09195	18.4
336.06339	7.5
337.07037	54.5
339.08563	5.2
345.07669	15.7
347.05289	2.8
347.09137	7.0
349.07037	42.9
349.10873	4.5
350.07797	4.6
351.08618	24.2
353.06470	9.9
357.07791	3.7
360.06143	3.2
361.02533	3.4
361.06989	48.2
361.11102	3.6
362.07736	2.7
363.08551	26.0
365.06396	6.2
367.08057	8.0
373.06778	12.2
375.08615	12.5
377.06250	10.9
378.07263	5.0
379.08115	52.3
379.12744	3.5
381.09619	2.9
387.08575	2.4
390.07401	6.4
391.08112	78.5
393.09607	7.0
395.07468	4.8
401.10242	7.3
403.08170	5.4
407.07593	10.3
408.08340	4.7
409.09183	67.6
415.09363	3.4
419.07327	4.0
421.09055	14.2
427.10214	34.3
429.09866	5.1
431.07510	3.7
433.09274	5.7
435.10077	3.1
439.10178	22.6
447.10651	8.9
457.11423	17.8
463.10333	15.9
475.10269	29.5
481.11325	63.0
493.11331	79.3
511.12402	100.0
529.13190	21.3
546.32990	5.5
547.15479	2.4
547.34705	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	547.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
56.96555	0.6
61.02930	0.9
66.10835	0.4
68.99796	0.8
69.03434	1.1
69.37496	3.5
79.05502	1.8
81.03426	0.8
81.07048	0.4
85.02908	2.5
86.09746	0.4
87.00842	0.6
91.05465	0.4
93.83381	0.6
95.04960	1.7
97.02908	0.5
103.03960	1.4
107.04964	100.0
108.05274	0.9
109.02882	0.5
109.45154	0.5
111.79785	0.4
127.03950	0.6
129.01868	0.7
130.10219	0.4
131.04904	0.5
131.47823	0.5
137.05984	0.7
138.60852	0.5
139.03893	0.8
147.04378	0.7
163.03979	0.5
165.01825	1.3
165.05518	0.7
167.07079	0.7
183.02853	0.6
189.05533	0.5
193.04982	1.6
201.05510	1.7
205.04994	13.8
206.05751	4.4
217.04994	5.6
219.06549	1.6
230.05992	0.5
231.06607	1.0
233.04483	0.6
235.06033	18.2
235.08418	0.9
241.04955	0.6
243.02902	0.5
245.04430	0.7
245.08203	1.4
247.06006	0.8
255.06522	0.7
259.06110	2.0
265.07190	0.5
267.69189	0.6
273.07721	0.7
283.06094	0.9
283.83368	0.4
295.06073	1.2
299.09140	1.3
301.06970	2.1
307.05975	0.9
311.09161	9.2
321.07782	0.8
323.09177	14.2
325.07211	1.0
325.10730	0.7
333.07904	0.6
335.09250	0.8
337.06885	0.6
337.10794	0.7
339.08582	0.6
341.10233	30.6
349.07114	0.9
351.08603	0.7
353.10236	1.1
361.10898	0.6
365.10226	9.7
371.11304	0.9
379.07932	1.1
379.12198	0.7
389.10294	2.2
395.11606	0.6
403.08548	0.5
407.11386	3.2
421.09158	0.6
425.12634	2.6
443.13293	1.2
461.14850	1.1
467.13458	2.8
485.14441	1.8
487.20618	0.7
493.11316	1.4
503.15338	0.6
511.12418	6.1
529.13434	8.1
547.14581	7.2
547.22418	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.147
Annotation	Afrormosin 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
55.05518	0.2
67.05497	0.4
69.03426	0.3
69.07050	0.3
69.55583	0.8
69.55997	0.4
79.05511	0.3
81.07040	0.5
85.02909	0.4
91.05444	0.2
93.07025	0.2
95.08588	0.3
97.02887	0.2
98.97591	0.5
105.07043	0.4
107.04914	0.2
107.08560	0.4
109.10191	0.4
119.04926	0.3
123.00733	0.2
123.82725	0.1
128.06133	0.2
131.08524	0.2
131.61797	0.1
132.05685	0.9
133.06494	0.3
135.04393	0.3
137.05975	0.6
139.03941	0.2
147.04358	0.3
151.03990	0.2
153.53030	0.2
158.99542	0.2
163.03925	0.4
166.02599	0.3
167.03358	0.3
167.07057	0.4
168.05739	0.4
169.01347	0.2
171.04387	0.3
175.04051	0.2
176.04579	0.1
182.07286	0.7
183.08051	1.1
184.03687	1.6
196.05237	0.5
197.06004	0.4
200.08421	0.2
201.05533	0.6
208.05254	0.2
210.06795	0.5
211.07570	1.5
213.05545	0.8
219.01924	0.2
224.04727	0.2
227.07047	1.0
228.07813	0.6
237.02713	0.3
239.07016	2.6
241.04935	0.6
241.12479	0.2
243.10144	3.2
252.04288	0.3
253.05078	0.2
255.06555	0.6
256.07312	6.0
267.06528	0.9
268.06879	0.3
269.04294	0.2
271.09821	0.3
283.06073	1.8
284.03534	0.2
284.06796	14.9
299.09140	100.0
300.09479	1.3
313.06924	0.3
347.14075	0.3
355.11935	0.2
367.11700	0.7
385.12677	0.5
461.16956	0.7
511.12909	0.2
546.33289	4.3
547.18732	0.3
547.34302	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	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.0
55.01868	6.8
55.05271	2.9
55.05516	38.5
57.03436	7.3
57.07069	3.0
59.05005	2.1
67.05509	64.4
69.03438	2.6
69.07064	15.9
69.30857	11.1
69.31268	5.3
71.04992	3.7
79.05498	42.3
81.03421	25.5
81.07063	63.5
83.04971	5.9
83.08622	22.1
85.06547	4.3
91.05489	40.4
93.07050	45.3
95.04970	20.4
95.08134	1.5
95.08611	39.9
97.06539	5.3
97.10177	20.3
105.07041	37.4
107.04950	6.6
107.08607	27.5
109.06544	5.3
109.10155	30.0
111.08083	6.3
117.07008	15.5
118.98453	1.9
119.08584	24.1
121.06513	9.5
121.10146	19.3
121.15543	2.0
121.52967	1.9
121.81773	1.7
123.08090	5.9
123.11674	9.0
125.09629	17.4
129.07007	11.6
131.08566	26.7
133.10123	21.0
135.08081	6.6
135.11734	12.6
137.09605	3.6
137.13283	2.8
138.12674	2.0
143.08617	10.5
145.06534	2.0
145.10104	16.2
147.08049	5.4
147.11665	13.4
149.09647	4.2
149.13260	6.5
151.11185	2.0
155.08578	3.0
157.10136	12.3
159.11676	11.1
161.13251	8.4
163.11282	3.8
169.10185	4.4
171.10260	3.6
171.11693	7.6
173.09625	2.7
173.11891	2.4
173.13235	9.6
175.11246	3.8
175.14865	4.3
177.12897	2.5
177.16371	2.0
181.10124	2.5
183.11685	5.0
185.13316	5.5
187.11288	2.6
187.14835	4.1
189.11243	8.7
193.12271	9.4
197.13283	2.6
199.14880	4.6
213.12781	2.4
213.16406	3.6
227.12845	13.4
233.15494	2.1
235.16956	2.2
243.21202	2.0
247.17082	3.9
249.14844	2.9
251.16368	2.1
261.22153	15.5
267.15921	27.6
275.20065	2.2
285.22089	3.8
301.22162	3.4
301.25293	24.5
303.23209	3.6
317.24606	2.7
329.20905	2.8
335.25858	18.7
359.25861	4.0
390.22690	2.2
417.26263	2.8
417.31418	3.5
421.25912	4.6
435.27237	4.3
435.32611	8.2
453.33670	17.1
454.34152	1.9
471.34680	14.7
509.36441	4.9
527.37415	56.4
528.36694	2.0
545.38391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
55.01876	6.3
55.05515	33.4
57.03439	10.7
58.34896	1.7
58.45256	1.5
59.04996	2.0
60.52148	1.6
65.03938	4.8
67.05508	68.8
69.03432	4.5
69.07076	16.6
69.53919	11.8
71.04996	5.4
77.43764	1.9
78.01913	1.6
79.05061	3.3
79.05501	43.5
81.03427	20.2
81.07063	63.3
83.04994	5.1
83.08625	21.6
85.02937	3.0
85.06555	3.4
91.05483	39.6
93.07047	41.3
94.31319	1.6
95.04978	15.6
95.08611	44.1
97.06538	5.8
97.10170	23.3
98.20708	3.1
105.07037	30.6
107.04965	5.5
107.08602	26.9
109.06527	7.3
109.10165	25.9
111.08107	3.8
117.07030	15.1
119.08576	26.5
121.06513	8.3
121.10156	18.1
123.08064	4.0
123.11671	9.6
125.09630	16.0
129.07002	9.2
131.08578	23.2
131.58820	1.9
133.06512	3.6
133.10138	21.7
135.08084	6.2
135.11713	10.7
137.09633	4.9
141.06970	2.2
143.08601	7.2
145.10118	16.2
147.08119	2.7
147.11690	16.5
149.09636	4.9
149.12041	1.6
149.13287	6.3
157.10109	9.5
159.11685	14.0
160.48987	1.9
161.09673	2.1
161.13298	5.9
163.11246	4.9
169.10172	2.2
171.10318	2.4
171.11737	6.3
173.09679	3.5
173.13264	9.4
175.11229	7.1
175.14850	5.8
177.12651	2.4
177.16562	1.8
183.11734	3.7
185.13301	7.6
187.11189	3.3
187.14882	5.2
189.11255	8.9
189.16197	1.7
193.12263	11.7
197.13232	2.6
199.14827	1.8
201.16324	3.4
209.13312	3.4
211.13243	4.3
211.14986	2.4
213.16415	2.3
223.14912	2.6
227.12762	14.7
243.21085	3.4
247.16951	2.2
261.22171	10.3
267.15952	21.7
275.20142	2.3
279.23367	2.6
285.22052	4.4
287.20135	2.0
301.25235	21.4
317.24713	2.1
335.25824	19.2
359.25873	3.2
417.31781	2.0
421.25638	3.4
435.27405	2.7
435.32318	9.1
453.33658	15.0
471.35095	10.4
509.35962	4.1
527.29889	1.7
527.37274	53.1
545.38458	100.0
546.38910	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24187	1.6
53.03947	3.7
55.01868	5.8
55.05262	2.8
55.05513	36.4
55.90527	2.1
57.03432	8.8
57.07066	2.0
59.04957	2.1
65.03941	3.5
67.05508	77.6
69.03422	5.3
69.07075	23.0
69.83026	8.9
71.04989	6.0
75.11179	2.2
79.05497	46.7
81.03431	24.4
81.07063	75.7
82.83323	1.9
83.04984	7.6
83.08617	22.6
84.50558	1.9
85.06548	4.2
91.05489	42.4
93.07046	48.7
95.04978	27.4
95.08608	48.5
97.06511	5.8
97.10182	21.3
105.07031	41.7
107.04979	8.3
107.08595	33.8
109.06516	6.4
109.10165	33.3
111.08091	6.5
117.07036	20.7
119.08596	33.3
121.06503	12.8
121.10168	20.7
123.08095	7.4
123.11741	11.3
125.09635	21.1
128.06203	2.1
129.07001	12.8
131.08575	28.3
133.06477	4.8
133.10124	23.4
135.08084	8.1
135.11708	14.0
137.09608	5.7
137.13303	3.9
140.43694	2.2
141.07022	4.4
142.07762	4.9
143.08563	11.0
145.06535	2.6
145.10101	26.9
147.08046	5.8
147.11676	18.2
149.02342	2.9
149.09686	5.6
149.13260	8.5
151.11133	2.9
155.08533	4.0
157.10110	11.1
159.08066	3.4
159.11696	13.6
161.09601	3.6
161.13242	11.5
163.11174	4.0
163.14842	3.1
167.08586	3.4
169.10179	5.1
171.10298	3.2
171.11743	8.1
173.13274	12.2
175.11253	5.9
175.14854	5.0
177.12817	2.6
181.10130	3.7
183.11702	4.7
185.13257	6.8
187.11151	2.3
187.13307	2.2
187.14847	7.3
189.09689	2.7
189.11249	15.1
189.12708	2.5
193.12308	7.9
195.11766	2.4
197.13275	5.1
199.11270	2.3
199.14919	3.6
209.13405	3.0
227.10672	3.6
227.12782	17.8
233.15399	4.5
239.18040	3.0
243.21063	3.1
247.17062	4.2
249.14890	2.3
261.18811	2.3
261.22220	16.7
267.15921	25.5
283.24121	2.5
285.22226	5.5
287.20181	2.9
301.25201	21.4
303.23428	2.4
335.25833	18.1
353.05841	2.1
359.26022	2.6
363.25549	2.4
421.25998	3.7
422.66550	2.4
435.32724	8.3
449.28418	2.5
453.33649	18.4
471.34732	15.1
473.88254	2.7
509.36346	2.7
527.29980	1.9
527.37323	75.8
545.38416	100.0
546.39014	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.5
55.01881	3.7
55.05517	25.8
57.03431	7.6
57.07074	3.1
65.03938	3.6
67.05514	61.6
69.03445	2.6
69.07079	16.3
71.04993	5.5
71.08653	1.9
72.62284	1.6
79.05502	58.5
81.03426	40.2
81.07069	56.2
83.04994	10.1
83.08630	25.7
85.02905	21.0
85.06573	3.1
91.05488	51.1
93.07056	62.1
95.04975	24.3
95.08618	38.9
97.02879	1.9
97.06554	4.7
97.10186	6.6
98.21513	5.6
99.08105	1.7
105.04511	2.5
105.06392	2.7
105.07040	33.0
107.04984	4.4
107.08604	29.5
109.06535	5.8
109.10170	15.6
111.04415	1.8
111.08108	10.1
117.07030	6.7
119.08595	26.2
121.06541	3.6
121.10165	26.3
123.08099	2.8
123.11720	4.1
125.09646	3.1
128.06145	2.4
129.07042	8.8
131.08571	17.8
133.10136	15.8
135.11728	11.8
137.09680	2.1
142.07755	2.1
143.08553	4.5
145.10146	8.6
147.08012	2.0
147.11694	18.5
149.09596	3.9
149.13268	6.7
157.10147	12.1
159.11731	9.7
161.13271	6.3
163.14781	1.7
165.12813	3.0
169.10147	2.7
171.11754	3.3
173.13310	4.7
175.11177	8.5
175.14980	2.6
185.13345	2.6
187.14818	3.3
193.12270	39.7
199.14905	2.1
201.16515	2.1
211.13316	41.3
211.15245	2.8
227.12810	4.2
261.22180	8.4
267.15967	7.9
301.25342	3.9
317.24817	2.0
335.26086	5.2
348.82736	2.1
396.87097	1.7
414.34860	1.9
435.32724	5.1
453.33563	7.3
471.34735	2.9
474.74033	1.9
507.86554	1.9
509.36606	2.6
527.37445	21.2
545.38409	100.0
546.38489	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	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.2
55.01872	4.7
55.05259	3.0
55.05513	31.0
55.77346	1.8
57.03431	7.6
57.07073	1.8
58.85546	1.8
64.87575	1.8
65.03936	3.7
66.90740	2.3
67.05511	65.2
69.03439	4.2
69.07079	18.5
69.31432	1.7
69.84528	1.9
71.04983	5.3
71.08630	2.1
79.05502	54.2
81.03423	37.1
81.07067	63.2
83.04978	7.2
83.08617	21.5
84.52669	2.1
85.02888	9.6
91.05490	42.1
93.07059	47.3
95.04989	21.2
95.08064	2.8
95.08620	45.2
97.06542	7.8
97.10177	17.0
105.04500	2.4
105.07032	38.7
107.04974	4.4
107.08604	34.1
109.06523	5.2
109.10165	24.8
111.08080	7.8
113.06033	2.4
117.07011	12.6
119.08595	33.2
121.06510	6.1
121.10159	24.3
122.69077	1.9
123.08074	3.5
123.11724	6.3
125.09637	12.0
129.07004	12.3
131.08578	25.7
133.06500	2.5
133.10155	24.0
135.08072	4.0
135.11716	14.3
137.09665	2.2
141.06975	2.7
143.08629	5.3
145.10130	17.7
147.11699	18.7
149.09642	3.6
149.13306	7.8
151.11227	2.7
155.08556	2.9
157.10127	11.0
159.08174	2.3
159.11736	12.0
161.13277	8.5
163.11160	3.7
163.14830	3.0
169.10130	2.2
171.10294	2.2
171.11725	4.5
173.09685	2.2
173.13365	9.4
175.11208	5.6
175.14848	5.8
181.10085	2.8
183.11729	3.5
185.13274	3.9
187.14896	5.3
189.11237	6.5
193.12250	26.1
197.13260	2.2
199.14848	3.6
203.17981	7.6
205.36716	2.1
211.13263	19.1
211.14920	2.6
227.12776	9.4
243.21307	2.7
249.14940	2.3
261.22198	9.3
267.15936	16.0
279.23517	2.6
285.22141	3.4
287.20074	2.7
301.25262	12.6
323.23413	2.4
325.14551	2.3
327.23303	2.4
335.25790	11.3
435.32666	7.8
453.33609	12.6
471.34732	10.8
509.36325	2.8
527.37347	44.7
545.38403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.33
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87147	0.3
67.05505	0.3
69.07078	0.3
69.47625	1.9
81.07037	0.3
98.20693	0.5
116.46600	0.2
121.10188	0.3
145.10123	0.3
273.01746	0.3
296.53226	0.3
383.10861	0.3
383.27774	0.8
497.30722	0.4
502.05453	0.3
545.33008	100.0
546.33337	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	545.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31133	0.2
55.01875	0.3
56.96571	0.5
57.03429	0.3
67.05502	0.9
69.03436	0.3
69.07078	0.3
71.24801	0.3
78.73219	0.2
79.05481	0.6
79.32607	0.3
81.03416	0.7
81.07072	0.7
83.08642	0.3
85.02903	0.7
91.05466	1.4
93.07069	0.3
95.04989	0.3
95.08623	0.5
96.99577	0.3
97.02910	0.5
99.04465	0.3
105.07048	0.8
109.10154	0.5
119.04955	0.9
121.02881	0.7
133.10156	0.6
137.06009	0.3
147.04413	2.7
157.10196	0.3
161.09673	0.7
163.11252	0.3
181.01376	0.4
185.04181	0.3
254.12305	0.2
255.12498	0.4
257.04675	0.3
271.05850	0.3
281.48529	0.3
286.04959	0.8
299.05634	2.4
300.06445	1.2
311.05823	0.3
315.05060	0.3
317.08524	1.8
327.04816	0.4
328.05862	0.5
329.06702	0.5
341.07431	0.2
365.26169	0.5
371.11588	0.5
383.11340	1.2
383.27536	1.1
389.12924	0.3
395.11716	0.3
425.12564	0.7
425.28842	0.3
448.10260	0.4
449.11963	0.3
515.32001	3.0
545.16345	18.7
545.33020	100.0
546.16644	0.9
546.33380	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.8
55.01867	4.9
55.05273	1.7
55.05517	28.7
57.03442	10.4
57.07068	2.5
65.03939	3.4
67.05508	73.0
69.03425	5.0
69.07069	21.2
69.84696	1.6
71.04510	3.0
71.04974	7.6
73.22239	1.4
73.34488	1.3
79.05499	72.2
81.03420	47.2
81.07062	67.1
83.04988	12.2
83.08626	25.0
85.02911	28.3
85.06541	3.9
91.05487	62.6
93.07049	69.0
95.04969	30.5
95.08611	39.2
97.02854	1.5
97.06538	5.7
97.10182	8.4
99.08147	1.6
105.04494	2.2
105.07033	45.3
107.04967	5.0
107.08597	34.9
109.06522	5.1
109.10175	18.2
111.08089	9.8
115.05466	2.1
117.07008	9.1
119.08588	31.4
121.06551	3.6
121.10145	32.7
123.08104	3.9
123.11715	7.4
125.09647	4.5
128.06247	2.7
129.07019	11.4
131.08572	24.3
133.06538	2.9
133.10143	20.3
135.08101	1.7
135.11687	15.1
137.09645	2.4
141.07068	1.5
142.07806	3.0
143.08554	4.1
145.10114	11.8
147.08034	2.4
147.11674	17.9
149.09625	5.5
149.13289	7.9
151.11174	1.7
155.08571	1.7
157.10165	12.1
159.11743	7.1
161.13271	7.1
163.11189	2.5
163.14761	1.6
165.12764	5.1
169.10173	3.2
171.11642	3.4
173.13268	6.0
175.11174	13.4
175.14757	3.1
181.10249	2.0
185.13176	1.8
187.14874	3.7
189.11293	3.6
191.14362	1.5
193.12248	45.6
197.13237	1.7
199.14885	2.0
201.16536	2.4
211.13292	48.3
227.12785	3.9
243.21008	1.6
261.22198	6.0
267.16006	6.8
301.25418	5.9
315.23712	1.6
335.25885	5.8
350.84161	1.6
367.39499	1.5
417.31470	2.3
435.32648	5.3
453.33682	6.5
471.34473	2.7
527.37415	18.0
530.19360	1.5
545.38416	100.0
546.38629	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	545.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96578	0.4
69.03437	0.5
69.37917	0.9
69.38321	2.4
69.79337	0.3
81.03455	0.5
81.07067	0.4
105.07033	0.4
119.04894	0.6
121.02869	0.9
147.04446	1.6
154.56422	0.4
157.50024	0.4
160.04913	0.4
182.02104	0.6
286.77643	0.4
297.04050	1.4
298.04749	2.3
299.05438	2.4
300.06262	2.9
311.05490	0.7
323.05502	1.0
324.06409	0.9
327.05081	0.8
335.05649	0.4
351.05478	0.5
352.05811	1.1
377.10196	0.6
383.27502	0.5
395.11276	1.9
414.68716	0.4
425.12537	2.2
449.12115	2.1
458.77219	0.4
473.12683	0.6
479.13797	0.9
491.13000	0.7
509.14758	1.5
515.32166	1.2
519.38715	0.4
545.33008	100.0
546.33466	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	545.2001
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
54.90910	0.5
62.02586	0.4
69.03416	1.0
71.55323	0.9
81.07047	0.6
85.02911	0.7
86.09737	0.7
97.02894	0.6
99.80527	0.5
107.04968	8.8
121.02834	0.7
185.04140	0.8
201.31276	0.5
212.07405	1.9
229.08157	0.5
246.14861	1.0
247.06010	0.6
259.06058	0.9
309.09372	1.6
311.05304	0.5
313.07043	0.7
419.11151	0.7
479.13083	0.7
497.14258	0.7
527.24725	2.7
545.19690	100.0
546.20044	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.1
55.05512	1.9
67.05511	5.4
68.99816	2.0
69.03452	1.3
69.07074	9.7
69.28907	10.6
76.02493	1.1
79.01890	1.9
79.05509	2.7
81.03425	4.0
81.07076	10.4
83.08660	1.3
91.05495	3.1
93.07057	3.5
95.04980	1.8
95.08627	6.9
97.02935	1.2
98.21512	2.6
99.00853	1.1
105.07078	2.2
107.04991	2.0
107.08613	3.2
109.10170	2.9
117.07080	1.7
119.08601	2.0
121.10110	2.0
131.08568	1.7
133.10176	2.2
135.04485	1.3
135.11722	1.3
137.02371	1.9
137.13303	1.8
141.01831	3.0
145.10100	2.3
153.01888	5.0
163.11261	1.3
165.01852	100.0
167.03448	6.0
177.01840	1.8
177.05481	1.6
179.03432	11.7
183.02911	43.6
191.03455	5.1
193.05029	4.4
199.11234	1.7
201.12840	3.1
205.05037	3.6
207.06551	3.6
219.06532	2.0
221.58173	1.2
233.08121	9.4
257.18915	5.5
283.16708	1.3
287.12833	4.5
289.14374	91.0
291.47000	1.2
314.08185	1.1
335.13004	1.4
347.12778	1.7
365.14023	8.3
421.20117	5.7
448.67996	1.2
449.49359	1.2
489.26364	1.5
503.31625	1.8
527.37579	1.2
543.21082	1.3
545.32684	39.8
545.40155	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	545.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60472	0.5
56.96537	0.6
70.06593	1.1
71.55319	0.6
74.97889	0.5
86.09690	1.0
90.62432	0.5
97.02873	0.5
98.97601	1.1
104.13132	0.5
121.02835	1.1
135.55768	0.5
185.04236	1.2
224.59488	0.5
235.39864	0.5
287.15189	0.7
303.31046	0.5
328.67566	0.5
368.21307	0.5
383.16559	0.9
411.03470	0.6
545.19952	100.0
546.19952	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1644
Annotation	Premithramycin A1
Peak:m/z	Relative Intensity
55.05527	0.8
67.05501	1.7
69.03425	2.4
69.07059	1.0
69.51836	4.0
70.06618	0.8
79.05484	1.2
81.03416	1.0
81.07052	3.1
83.04984	0.6
85.02903	3.0
87.04485	0.8
88.71855	0.7
90.78021	0.7
91.05506	4.2
93.07050	1.4
95.04978	1.2
95.08602	1.3
97.02904	1.9
97.10201	1.2
105.07032	2.1
107.04972	1.6
107.08636	0.9
109.06528	0.8
109.10108	0.8
119.04993	4.0
119.08569	1.2
121.10201	0.9
131.08618	0.8
133.10167	2.2
135.08145	0.7
135.11732	1.0
137.05975	1.0
145.10110	1.0
147.04424	11.9
147.11681	0.8
161.02959	1.0
161.09671	1.2
173.13324	0.8
197.19351	0.7
251.06889	1.1
273.18423	0.8
297.03867	0.9
317.08511	8.7
365.23730	0.9
383.24850	0.8
395.11087	0.9
425.12366	1.8
527.14978	1.3
544.31805	1.0
545.16376	100.0
545.33276	17.0
546.17065	1.5
559.82465	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
55.01869	2.7
55.05521	18.0
55.68589	0.7
57.03448	4.5
57.03675	0.8
57.07077	1.4
63.59915	0.7
64.27732	0.8
67.05510	30.3
69.03445	2.2
69.07075	10.3
69.32550	1.9
69.32960	6.7
71.04997	2.2
79.05502	22.5
81.03439	7.9
81.07065	25.7
81.07530	1.8
83.04993	3.2
83.08630	10.0
85.06551	2.1
91.05491	19.3
93.07052	18.7
93.07629	1.2
95.04970	6.0
95.08617	16.9
97.06536	3.2
97.10175	9.1
99.08059	1.0
105.07040	19.8
107.04977	2.6
107.08600	12.6
109.06540	1.6
109.10171	11.7
111.08121	2.1
115.05445	1.3
117.07042	11.0
119.08588	14.1
121.06536	2.4
121.10135	5.5
123.08088	1.9
123.11719	1.7
125.09634	7.2
128.06221	2.9
129.07004	8.8
130.07784	0.9
131.08578	16.2
133.06528	1.3
133.10150	9.0
135.08072	2.3
135.11726	2.7
141.07042	4.0
142.07782	2.8
143.08591	10.2
144.09302	0.9
145.06491	3.3
145.10141	14.7
147.08060	2.5
147.11716	6.0
149.09660	2.6
149.13295	2.2
151.11137	1.0
153.07033	0.9
154.07829	1.2
155.08575	7.3
156.09421	1.3
157.06505	1.1
157.10158	8.6
159.08112	3.6
159.11705	9.2
161.09656	0.9
161.13300	3.6
163.11235	1.7
167.08614	2.4
168.09357	1.2
169.10144	7.1
171.11658	8.2
173.09651	2.3
173.13257	7.0
175.11211	2.0
175.14893	1.3
179.08585	0.9
181.10191	3.4
183.11626	6.5
185.09642	0.9
185.13290	7.3
187.11208	2.1
187.14908	3.3
189.11263	3.0
193.10240	1.3
193.12206	2.1
195.11778	4.2
197.13243	4.4
199.11157	1.2
199.14915	2.4
201.12854	1.2
201.16498	2.5
207.11725	2.4
209.13263	4.2
211.11211	1.0
211.14941	2.5
213.12863	1.5
213.16531	1.8
215.14682	0.9
221.13295	1.9
223.14909	2.7
227.12677	4.2
237.16370	2.1
239.14384	1.1
241.19717	1.5
257.18988	1.1
259.20676	3.2
260.63739	0.9
267.16016	3.1
275.20099	2.6
283.17429	1.0
283.20670	2.1
297.22305	1.8
299.23743	5.4
301.21643	2.3
309.22113	1.1
315.23108	1.2
321.22086	1.2
325.21793	1.6
333.24265	1.9
335.23297	1.3
339.23395	1.5
357.24152	1.4
360.05396	1.3
371.25870	1.4
405.31735	1.2
412.18176	1.0
415.30099	2.4
423.32492	2.3
433.31165	6.2
451.32013	10.5
469.33160	6.3
507.34833	2.5
515.37384	2.0
525.35822	23.2
528.26324	1.1
543.36890	100.0
544.37097	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	543.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01864	4.9
55.05516	16.9
57.03435	3.3
57.07080	3.0
59.04985	1.2
65.03947	2.9
67.05510	41.8
67.30122	1.0
69.03419	2.6
69.07076	14.4
69.84629	5.4
71.04993	2.6
73.02910	1.1
79.05498	51.5
80.45536	1.0
81.03436	2.3
81.07063	38.5
83.04993	4.3
83.08627	9.9
85.06535	2.4
89.99696	1.0
91.04908	1.1
91.05489	26.5
93.07052	61.9
95.04984	9.1
95.08612	46.1
97.02889	2.8
97.06519	5.2
97.10177	3.0
99.04469	3.9
103.05465	1.8
105.04482	2.4
105.07040	18.9
107.04961	7.1
107.08604	36.7
109.06531	4.0
109.10172	7.7
111.04437	1.8
111.08082	2.1
117.07033	16.1
119.08598	20.1
121.06540	3.9
121.10153	22.4
123.08104	1.6
123.11702	2.1
125.06017	2.3
125.09657	1.1
129.07022	3.0
130.07777	2.1
131.08592	10.4
133.10126	7.8
135.08107	3.2
135.11703	47.2
139.07545	1.9
143.08598	3.0
145.10144	30.7
147.11728	4.3
149.09650	2.0
149.13277	3.9
151.73529	1.0
155.08507	1.5
157.10152	1.9
159.11703	6.5
161.13257	3.2
163.11194	50.4
163.14845	1.3
169.10158	2.0
171.08064	1.5
171.11754	2.5
173.13232	2.5
175.11377	1.3
181.12251	13.6
183.11760	1.6
185.13284	1.9
187.14853	1.5
189.11125	1.2
193.44122	1.2
209.11827	2.9
209.82115	1.0
227.12799	100.0
228.13069	1.9
243.21126	1.8
257.19193	1.1
261.22308	6.2
275.20175	3.6
317.24878	2.2
332.10867	1.2
433.30737	1.4
451.31921	1.8
469.33163	2.4
525.35718	4.9
543.36853	62.9
544.37335	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
53.03947	3.5
55.01878	3.6
55.05514	14.0
57.03413	1.8
57.07056	1.5
62.26316	0.5
65.03926	2.1
67.05509	35.8
69.03410	1.4
69.07072	10.9
71.04990	3.0
71.16003	0.9
71.16359	1.0
73.02905	0.8
77.03909	1.1
79.05499	45.7
81.03402	2.2
81.07062	34.3
83.04990	3.4
83.08617	8.9
85.06535	1.0
91.04897	0.7
91.05482	21.0
93.07050	56.3
95.04977	9.2
95.08612	44.1
97.02882	3.5
97.06535	3.3
97.10174	1.4
99.04449	2.6
99.08083	0.8
103.05465	1.5
105.04502	1.5
105.07034	15.2
107.04970	5.7
107.08601	33.0
109.06495	2.3
109.10163	7.5
111.04435	0.9
111.08044	0.9
115.05427	0.9
117.07012	11.3
119.07798	1.0
119.08596	14.1
121.06518	4.7
121.10151	20.7
123.08060	0.7
123.11694	1.7
125.06010	2.6
129.07024	1.3
130.07755	2.1
131.08583	6.0
133.10156	7.0
135.08049	1.7
135.11708	44.5
139.07526	1.5
139.11208	0.6
143.08559	2.0
145.10133	26.4
147.11668	3.4
149.13295	3.5
159.11667	2.6
161.13263	1.7
163.11189	48.1
163.14850	1.2
171.11708	0.6
173.13263	2.4
175.14719	0.7
176.33640	0.7
181.12238	13.3
187.14809	1.1
201.16377	0.7
209.11784	1.8
209.89915	0.5
227.12793	100.0
243.21162	1.6
261.22131	5.7
268.74606	0.6
317.24765	2.4
335.86172	0.7
383.72653	0.5
495.09320	0.7
542.54309	1.5
543.36841	44.7
544.37006	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30521	1.1
53.03940	4.3
55.01863	4.9
55.05268	2.0
55.05515	25.2
55.38574	1.2
57.03424	4.5
57.07072	2.0
64.02197	1.0
65.03944	3.5
67.05510	48.8
69.03437	3.2
69.07073	16.7
69.49356	8.1
71.04990	4.2
77.03884	1.6
77.63277	1.0
79.05500	53.8
81.03417	5.2
81.07065	48.1
83.04966	4.7
83.08633	10.8
85.06538	2.4
91.05489	34.3
93.07053	61.1
95.04979	11.4
95.08614	51.3
97.02889	4.6
97.06526	4.7
97.10167	4.5
99.04453	2.6
99.08076	1.6
103.05473	1.5
105.07039	24.1
107.04970	7.6
107.08604	43.8
109.06538	3.8
109.10158	9.9
111.04462	1.3
111.08068	2.2
115.05441	1.4
117.07027	15.3
119.07790	2.2
119.08595	26.1
121.06554	5.6
121.10153	25.7
121.78197	1.0
123.08066	1.7
123.11733	2.5
125.06036	2.8
125.09628	3.0
128.06236	1.4
129.07028	6.5
130.07800	1.9
131.08586	13.5
133.06552	1.2
133.10144	11.2
135.08080	2.6
135.11702	47.2
141.07028	1.4
142.07793	1.4
143.08572	4.8
145.10127	35.6
147.08076	1.9
147.11707	7.1
149.09688	1.8
149.13280	4.9
153.12784	2.0
155.08551	1.8
157.10167	4.5
159.11713	7.0
161.09575	1.3
161.13304	4.4
163.11194	53.9
163.14841	2.5
167.03435	1.4
167.08592	2.1
169.10104	2.9
171.08081	1.5
171.11700	2.9
173.09651	1.5
173.11935	1.4
173.13165	5.7
175.14853	1.3
181.12250	13.4
181.88408	1.0
183.11761	1.4
185.13289	2.6
187.14795	2.6
189.11252	2.3
197.13297	1.3
199.14919	1.7
201.16446	1.5
209.11699	2.8
211.14861	1.5
227.12798	100.0
243.21231	2.6
259.20563	2.3
261.22180	8.7
274.43384	1.1
275.20093	4.0
277.21872	1.5
283.15570	1.4
299.23730	2.5
317.24921	2.0
327.22668	1.2
333.24643	1.4
423.32773	1.6
433.30875	2.9
451.32019	3.8
463.02023	1.2
466.61295	1.2
469.33252	2.0
507.35098	1.6
525.35919	6.5
526.11780	1.2
543.36877	91.0
544.37134	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
55.05515	0.9
56.96553	0.6
57.03433	0.8
61.02917	0.5
67.05518	2.5
69.03453	1.2
69.07067	0.9
69.52399	2.6
69.52807	1.0
70.06602	0.6
70.96650	0.4
73.02937	0.7
79.05499	1.8
81.03416	0.7
81.07056	2.7
83.08627	0.5
85.02918	2.2
86.09718	0.5
87.14453	0.4
91.05490	2.0
91.56316	0.4
93.07039	2.2
95.04960	0.6
95.08617	2.0
97.02886	1.2
97.06525	0.9
98.20763	0.9
98.97588	1.0
105.07043	2.5
107.04935	0.7
107.08605	1.4
109.06527	0.9
109.10169	0.6
109.67706	0.4
110.41925	0.4
117.07071	0.6
119.08581	1.3
121.06501	0.5
121.10143	1.0
125.09692	0.4
131.08562	1.1
133.10149	1.3
135.11731	0.7
137.05997	0.6
145.10156	0.6
147.04408	0.9
147.11722	1.0
155.56735	0.5
161.09695	0.7
163.03883	0.6
163.11250	1.0
207.46684	0.5
275.20126	3.0
293.21225	0.7
343.17328	1.2
349.23856	1.9
363.24957	1.3
381.26358	1.1
483.15100	0.8
513.30334	3.6
543.31445	100.0
544.31567	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01883	0.8
55.05511	1.6
57.03449	0.5
58.06606	14.5
59.06129	100.0
60.05658	0.7
65.03949	0.4
67.05508	4.8
67.05772	0.4
67.83464	0.4
69.07077	2.1
69.37582	3.7
71.08640	0.5
79.05493	4.0
81.07068	5.5
83.05003	1.0
83.08652	0.9
84.65148	0.3
85.06576	0.6
86.62790	0.4
91.05488	4.1
93.07049	4.1
95.04983	1.4
95.08611	3.8
97.06531	0.7
97.10200	0.7
98.21463	0.8
105.07039	3.4
107.04969	0.8
107.08598	3.3
109.10189	1.3
117.07061	1.5
119.08587	2.3
121.10192	1.7
129.07021	0.8
131.08653	1.7
133.10153	2.8
135.08089	0.5
135.11736	1.8
143.08597	1.3
145.10207	1.9
147.04434	1.0
147.08040	0.5
147.11714	1.0
149.02408	0.8
149.09677	0.6
149.13327	0.8
155.08575	0.7
157.10133	0.7
159.11745	1.2
161.13280	0.5
163.11176	0.8
167.03453	0.8
169.10181	0.8
171.11781	0.7
199.14917	0.6
227.12703	0.6
272.67081	0.5
275.20239	1.4
316.56934	0.6
321.11359	0.5
341.10474	0.4
356.13470	0.5
409.16571	2.0
423.32178	0.5
427.17346	2.5
451.32092	0.6
469.33115	0.7
471.25565	0.7
525.22827	0.9
525.35986	1.9
542.54272	0.9
543.23627	1.0
543.37329	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	543.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35945	0.3
55.05513	0.7
56.96570	0.5
57.03436	0.6
67.05495	1.1
69.03439	0.5
69.07070	0.9
69.44055	2.6
79.05491	1.0
81.03404	0.7
81.07069	1.4
83.04997	0.4
85.02913	1.2
85.06567	0.4
87.04469	0.6
89.95671	0.4
91.05495	0.7
93.07051	1.1
95.08623	0.9
97.02941	0.4
97.06530	0.5
97.10162	0.4
98.97583	0.8
105.07065	1.0
107.08565	0.9
109.02880	0.4
109.10154	0.5
119.08588	0.8
121.10141	0.9
123.11727	0.7
128.55254	0.3
131.08571	0.5
133.10152	0.6
135.11707	0.5
139.57468	0.3
145.10098	0.5
149.09590	0.4
151.03979	0.3
153.05519	0.6
161.09695	0.4
167.07210	0.4
195.10028	1.0
203.05197	0.4
219.06624	0.4
237.03017	0.4
240.10570	0.3
275.20001	0.5
282.15903	0.6
307.18713	0.4
352.12704	0.4
363.25119	0.8
371.20374	1.7
381.26096	1.5
426.03015	0.4
499.24997	0.4
513.30487	3.1
543.31482	100.0
544.32001	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	543.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.8
55.05503	11.3
57.07048	5.9
57.69542	1.9
65.03923	4.9
66.57507	2.0
67.05507	22.9
69.07052	8.6
70.06595	2.2
77.53241	1.8
79.05502	21.9
81.03402	4.6
81.06655	2.3
81.07062	26.2
83.04949	4.2
83.08594	6.1
91.05484	20.8
93.07053	28.6
95.04964	4.1
95.08067	2.8
95.08611	28.8
97.06470	2.7
97.10107	2.4
105.07048	17.5
107.08604	20.0
109.10159	11.8
117.06969	5.4
119.04906	7.9
119.08584	15.8
121.10167	13.4
123.08018	2.4
123.11691	3.9
131.01221	2.6
131.08540	7.8
133.06523	2.9
133.10182	10.4
135.11673	15.3
137.13222	1.9
145.10182	10.8
147.04407	27.5
147.08029	2.3
147.11685	11.4
149.02347	52.3
155.08501	2.4
157.10030	2.7
159.11728	4.6
161.02315	6.4
161.13206	4.7
163.03859	7.1
163.05161	2.1
163.11116	6.8
167.03410	72.4
167.60233	1.9
171.11661	2.4
173.05922	2.3
173.13271	2.7
175.03871	4.4
177.05457	4.3
181.12169	2.2
185.13173	2.5
187.03870	5.1
189.05486	3.4
191.07002	5.3
201.05479	18.5
203.06990	4.4
203.17903	12.2
215.06824	2.1
219.06529	13.2
227.07013	3.4
227.12828	12.7
229.08534	3.0
241.08641	2.9
257.26547	3.8
268.10788	2.1
269.08118	22.9
269.11136	3.0
269.20944	4.2
275.19968	3.5
281.08096	15.5
281.11032	3.2
297.11154	3.8
307.09506	2.9
312.29633	3.1
321.11148	8.7
339.12177	6.0
351.19656	13.4
389.17584	2.7
471.25397	28.6
525.29590	6.7
542.54181	14.1
543.30634	100.0
543.37018	10.9
543.54120	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
71.17924	1.6
76.23167	0.8
95.24854	1.0
102.85736	0.9
222.82927	1.0
363.06830	2.4
381.08032	13.2
424.17389	1.0
543.13281	100.0
544.13855	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	543.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.0
59.06086	0.7
60.31802	0.7
69.60022	3.0
69.60429	1.1
70.06600	1.5
72.72033	0.7
79.05493	0.9
80.02859	0.6
82.04907	0.6
85.02909	2.2
86.09700	1.0
91.05476	0.8
98.97582	0.9
107.08566	0.9
121.79066	0.7
125.37850	0.6
137.05942	2.2
158.99652	0.8
161.05798	0.8
175.07582	0.9
185.04265	1.8
203.05582	0.9
275.19769	0.7
277.10617	1.1
289.05276	1.8
295.05878	1.0
296.06403	0.9
297.06531	1.0
307.06003	0.7
333.10965	0.9
367.24442	0.8
458.84680	0.7
499.25037	2.0
525.13104	1.2
543.18353	100.0
544.18549	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.8
55.05511	1.2
56.96564	3.7
59.27648	0.5
65.76178	0.5
67.05505	2.4
69.03448	0.9
69.07066	2.3
70.06601	1.0
71.05058	0.5
71.55882	0.7
72.04525	0.9
73.02900	0.5
74.00648	1.3
79.05483	1.8
79.17085	0.6
80.05013	0.6
81.03403	0.6
81.07069	4.2
83.08595	0.5
83.93169	0.5
84.04514	4.0
84.96033	0.5
85.02908	1.8
85.04013	0.8
86.06079	3.2
87.04475	15.7
90.05553	2.4
91.05489	2.3
92.01707	1.1
93.07041	1.7
95.08625	0.6
97.10204	0.6
98.97599	3.5
99.05582	0.7
105.07025	1.7
106.06555	0.5
107.08647	2.6
107.09236	0.5
109.10153	1.2
110.97607	1.2
112.02197	14.8
113.00513	0.5
115.00582	0.6
115.05820	4.8
116.98595	0.8
117.07012	1.4
119.07347	0.9
119.08588	1.1
121.06548	0.5
121.10153	0.7
123.11663	0.6
123.79265	0.6
126.03756	0.5
126.05523	2.3
127.05051	5.3
128.98643	0.8
130.05019	1.4
133.10110	1.1
135.02646	0.5
135.08090	0.7
135.11694	0.8
136.07556	1.1
136.11285	0.5
138.03728	1.6
141.02003	0.7
141.07455	0.7
143.03818	0.6
144.06541	1.6
145.06084	1.7
145.10109	1.0
147.04419	0.6
147.11700	0.9
148.07632	0.9
149.60460	0.5
151.05756	1.7
151.11058	0.6
152.05298	5.7
153.06552	0.7
156.19576	0.6
158.99619	0.7
159.03418	0.7
161.04903	1.2
166.08669	1.0
167.03877	0.6
168.04800	5.7
168.08432	2.2
169.06841	0.8
177.00717	0.8
180.04797	10.2
180.06233	1.0
181.06201	0.7
185.03667	2.8
185.11946	0.7
191.04875	9.6
192.10153	1.4
192.13853	1.4
194.10025	1.6
198.05859	52.2
206.11700	0.9
208.11516	1.8
215.09590	0.6
219.01756	1.0
220.13182	0.7
222.09502	0.9
222.14903	9.2
224.16483	1.9
226.12601	3.5
229.22008	0.6
229.91573	0.6
231.04382	6.7
236.11086	4.8
237.02846	0.7
238.12784	0.5
254.12123	100.0
255.12325	0.6
256.13727	1.2
275.12985	0.7
275.20078	3.3
277.14804	12.6
280.13687	5.0
281.15021	1.1
290.12076	1.7
293.17331	1.0
294.17569	1.2
295.15710	6.7
295.18549	0.7
297.16312	4.0
302.08090	2.0
307.14850	2.4
308.13184	10.1
313.16861	0.8
319.15692	2.9
325.15900	3.4
329.18457	0.7
337.16769	1.5
349.23627	1.3
355.17947	0.7
363.17300	1.5
363.25244	1.1
396.19650	0.6
414.20648	17.9
439.20029	3.1
454.20206	0.9
457.21112	12.6
466.47333	0.7
483.15561	0.6
499.22266	7.6
500.22006	0.6
525.23846	0.6
543.22284	13.4
543.31317	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	542.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68673	0.8
57.03421	2.0
61.02938	1.2
64.99628	1.0
68.58023	0.9
69.03423	4.0
71.56046	1.2
79.05503	1.9
79.90142	1.1
81.03425	1.1
85.02924	4.9
85.06551	0.9
91.05468	3.9
93.07032	1.3
94.04179	1.8
97.02918	1.2
98.97576	1.3
103.05472	5.9
105.07040	6.6
106.04163	1.0
107.04949	2.2
107.93574	0.8
109.06497	1.1
117.06994	1.0
119.04949	1.9
121.02871	3.8
121.06500	4.7
122.03666	5.7
122.06072	0.9
127.03973	1.7
131.04945	8.3
131.08545	0.8
133.06503	16.9
135.08047	6.7
137.05991	100.0
138.06314	0.9
143.04909	0.9
143.08586	1.5
145.06509	5.2
147.08041	1.9
149.05977	3.6
151.03944	1.0
151.07538	8.1
153.09140	1.2
157.06461	1.1
163.07565	31.1
165.09131	1.2
167.07019	1.3
171.08076	2.2
174.06741	2.0
175.07491	1.9
177.05592	1.1
179.06958	0.9
187.07565	1.1
188.08160	1.1
189.01849	1.1
189.09120	3.2
193.08664	3.4
202.01866	0.9
203.03397	1.5
203.10670	4.7
204.03850	0.9
208.53566	1.0
209.08147	4.9
211.09737	6.3
214.02376	1.0
219.10115	2.4
221.10686	1.3
263.10828	1.9
283.06085	1.3
284.06583	1.0
294.05109	1.1
295.06055	4.4
295.13309	11.1
296.06421	4.7
307.06003	2.9
308.06378	3.8
309.07388	1.6
319.06046	1.0
320.06366	1.5
321.07288	2.0
322.07782	2.8
323.09021	1.2
326.07553	0.9
327.15921	20.8
335.09109	1.6
336.09570	1.9
337.06851	1.8
349.06918	2.8
350.07281	1.7
364.09058	1.0
375.08621	1.0
376.09024	1.7
380.08267	1.5
387.08615	1.4
391.08005	1.8
392.08350	3.6
404.08490	1.0
405.09515	2.2
410.09390	2.4
420.07996	0.9
421.09149	1.1
422.09552	4.4
423.10504	2.5
428.10355	2.3
446.09161	1.3
447.09732	1.2
476.10828	1.2
506.11539	2.8
524.12872	4.6
525.13812	3.7
542.13873	7.0
542.21295	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	8.7
57.07077	30.1
67.05509	14.7
69.07078	8.7
71.08640	25.8
71.55836	3.1
73.06553	7.2
79.05511	13.0
81.03429	4.6
81.07067	14.7
83.08606	3.2
84.00823	2.2
85.10181	21.4
87.04468	7.0
89.05483	5.4
89.06036	100.0
91.05515	11.4
93.07063	11.0
95.04980	4.3
95.08612	9.2
96.42007	2.3
97.02921	2.3
97.10191	5.9
99.11727	3.5
105.07032	9.3
107.07077	2.9
107.08589	5.9
117.07034	5.1
117.09142	5.3
119.08581	6.8
121.10126	4.7
125.09620	3.2
126.50999	2.4
131.08549	4.9
133.06459	3.5
133.08612	56.0
133.10132	4.5
135.11746	4.2
143.08537	4.1
145.10155	4.6
147.11679	3.2
155.17958	6.5
159.11632	2.8
163.11266	2.7
169.10110	2.7
171.11647	3.0
177.11261	22.4
185.13281	3.8
199.14767	2.9
210.70059	2.1
221.13765	4.2
243.23204	10.5
251.06653	2.3
287.25870	3.7
315.23264	2.8
327.20193	2.5
347.98093	2.3
356.41626	2.4
371.22916	11.7
373.12613	3.3
402.31845	2.5
441.98950	2.3
524.34344	2.9
525.40479	4.5
542.35272	16.8
543.36981	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	542.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	1.1
58.40514	0.4
62.57180	0.4
69.03421	0.4
70.06599	0.5
71.54546	0.4
71.54939	0.5
79.05484	1.1
85.02891	0.8
91.05481	1.7
93.07027	1.1
97.02892	0.5
98.97585	1.4
103.05468	7.9
107.04923	1.9
110.97556	0.4
116.98625	0.7
117.90807	0.4
119.04946	1.4
120.08113	100.0
121.08453	0.9
127.03880	0.5
131.04913	2.1
135.04465	1.0
136.06201	4.2
137.06000	0.7
140.07036	0.8
147.04390	3.7
148.04686	0.5
149.06010	2.4
149.07146	0.4
161.02899	0.4
163.00673	0.5
163.03957	1.0
166.08649	47.0
167.07047	0.9
167.09032	0.8
177.05658	0.4
179.07013	1.9
219.01785	0.6
234.13501	0.4
237.02774	0.5
368.73505	0.4
418.86484	0.4
428.03888	0.9
496.38358	0.5
524.10315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80882	1.2
53.03928	1.9
55.05516	3.7
57.03425	1.8
61.02913	1.2
67.03450	1.1
67.05498	4.6
69.07059	4.6
69.26260	12.1
70.06587	2.3
71.04974	1.2
73.35629	1.1
79.05488	4.8
81.03431	3.0
81.07066	6.5
82.06601	1.5
83.08624	1.6
85.02902	5.0
85.06538	3.6
86.09673	2.0
91.05489	15.0
93.07051	11.9
94.06564	8.5
95.04961	5.2
95.08614	4.2
95.22652	1.1
96.04501	1.3
98.97618	2.1
101.99638	1.1
103.77077	1.1
105.07020	4.3
106.06586	1.8
107.08614	3.1
108.08149	2.4
109.06523	1.4
109.10178	2.7
110.06044	1.5
111.08084	6.4
115.05471	1.9
117.07018	2.0
119.04970	1.6
119.08599	1.3
120.04425	1.3
120.08112	3.0
121.02888	2.4
121.06499	3.2
121.10153	2.0
122.06042	6.9
123.11731	7.0
124.07608	2.1
125.09598	2.3
131.42365	1.2
132.08055	2.1
133.10201	1.5
134.05931	1.8
134.09642	7.0
135.08089	4.4
136.07581	10.0
137.06027	2.2
138.05504	2.7
138.09125	3.2
138.24571	1.2
140.03459	2.5
143.07306	1.2
144.08121	2.2
145.06548	1.2
147.06812	1.5
147.11699	2.9
148.07578	2.8
150.09137	1.8
152.10707	5.9
154.05028	3.0
154.08702	1.5
162.05589	2.5
162.09154	49.2
163.07536	1.7
164.07068	1.6
165.12848	4.1
166.05045	1.4
166.08664	4.3
171.13803	2.9
172.07571	1.3
180.10214	37.1
182.08244	1.5
183.09193	1.8
183.13840	4.6
184.07593	2.1
186.09125	3.5
187.08694	2.1
190.08598	9.3
197.10890	1.5
199.08754	2.2
200.97302	1.3
201.14845	1.3
204.03882	1.2
208.09702	100.0
209.10391	1.3
210.09322	2.1
211.08719	2.6
212.07112	2.0
213.06770	1.9
213.10265	3.4
214.08797	1.6
215.08240	6.7
223.08694	1.6
223.99171	1.3
225.10223	2.7
227.08247	3.1
229.09743	3.7
230.08038	2.4
237.10211	4.4
238.08717	2.2
239.08200	5.7
241.09645	5.6
242.08099	4.1
243.07643	5.0
247.09662	2.1
249.10255	2.1
251.08128	3.0
252.08728	1.2
253.09685	3.6
255.07672	1.8
255.11340	3.0
257.09302	7.5
259.10907	1.9
261.08759	1.9
264.09085	1.4
265.09720	4.3
267.07687	6.2
267.11368	4.1
269.09149	3.2
271.52258	1.5
275.10162	2.3
281.09286	5.1
281.12347	1.1
283.10748	5.4
285.08646	6.8
285.12125	1.1
287.05612	1.6
293.09204	7.4
295.06140	2.9
295.10818	1.6
296.06458	6.5
299.10339	3.9
301.08194	2.9
301.11618	2.4
303.09766	37.6
307.05939	1.7
308.06357	3.8
308.26575	1.6
309.08459	3.7
310.07840	1.8
311.10220	8.6
313.11856	2.9
320.06299	1.3
321.07068	1.5
322.08093	2.4
325.11728	7.0
326.07388	1.8
327.09851	7.2
327.13168	1.6
329.11362	4.4
333.11044	1.3
335.08710	2.0
335.12402	22.3
336.05951	2.2
336.09521	2.9
337.08130	2.5
350.07376	4.5
353.11371	1.9
355.09332	3.6
361.13541	2.6
362.07370	2.7
371.12506	3.4
386.14920	1.6
387.12122	1.7
392.08438	4.0
397.15024	2.9
404.08508	2.8
410.09412	2.9
414.14063	1.5
428.10547	2.6
428.16122	1.7
431.15515	1.9
441.67035	1.4
446.17123	3.8
465.16510	1.4
466.19351	1.3
474.16385	6.2
476.10605	1.5
478.19937	6.4
482.19302	1.5
488.10541	1.8
492.17621	17.9
494.11261	2.1
506.11487	4.1
506.19193	11.0
510.18713	50.2
511.18997	2.1
524.12482	5.6
524.20203	8.7
542.13507	10.3
542.21344	25.5
543.22314	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44719	0.7
53.03942	1.3
55.01862	1.6
57.03445	1.0
62.56191	0.6
65.03948	1.1
66.04720	0.7
69.72501	3.8
70.06598	0.8
72.76028	0.6
75.04458	1.2
78.04708	0.7
79.05496	5.9
81.03395	0.7
81.07077	0.8
83.04980	0.6
85.02908	1.8
86.09690	0.8
89.03926	0.8
91.05484	7.6
93.03380	1.8
93.07001	0.9
95.04977	1.6
97.06515	0.9
100.62800	0.7
103.05464	6.6
105.04474	0.9
105.07036	18.8
106.04162	5.0
107.04956	3.7
108.05703	1.4
109.06503	1.8
115.05447	2.0
118.04175	6.1
119.04964	3.5
120.05719	0.9
120.08194	0.6
121.02876	1.9
121.06538	6.3
122.07265	2.0
123.04329	0.6
123.08048	1.8
124.05215	1.5
125.05997	1.6
126.31315	0.6
131.04938	2.3
132.05688	1.3
133.06496	21.7
134.03635	1.2
134.07277	1.2
135.04437	2.4
135.08037	4.9
137.05991	6.3
146.03592	1.4
147.04420	1.9
148.05193	2.1
149.05988	11.1
150.06784	12.6
151.07523	5.1
153.09102	1.9
161.05963	3.1
162.01341	0.7
163.03922	1.8
163.07523	0.9
165.09132	12.7
167.07051	9.9
177.02249	1.5
177.05486	6.9
178.06270	1.6
179.07033	1.8
181.08598	5.2
190.00859	0.7
191.07072	0.8
192.21895	0.7
193.08611	57.4
195.03319	1.0
197.75081	0.6
209.08099	33.5
210.08736	0.8
211.09662	100.0
212.09871	0.8
223.04254	8.9
284.06586	0.8
295.06030	2.3
296.06445	3.6
307.06125	1.1
308.06396	2.4
312.09003	1.5
320.06509	0.8
322.07956	1.6
325.07379	0.7
336.05710	1.0
349.07114	0.9
350.07349	2.5
362.07422	1.2
371.14908	1.5
374.07248	0.9
376.09058	1.2
380.08331	0.8
391.07941	1.3
392.08411	2.9
404.08774	1.6
409.09250	1.0
410.09760	3.1
422.09567	1.3
428.10669	2.5
446.09262	0.9
464.10760	0.8
496.13565	1.0
506.11581	2.6
524.12555	4.0
542.13684	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	541.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	0.9
51.02364	1.5
53.03947	11.1
55.01871	3.7
55.05267	1.5
55.05515	24.1
55.88922	1.0
57.03432	3.2
57.07080	5.6
58.93961	0.8
65.03947	6.7
67.05510	79.0
69.03428	2.0
69.07074	18.4
70.06589	1.6
70.99516	2.1
71.04984	3.0
71.08627	2.8
73.06554	2.0
77.03938	2.5
79.05498	100.0
81.03422	9.1
81.07062	64.8
81.07437	0.7
81.70771	0.9
82.45860	0.8
83.04984	10.9
83.08627	11.3
85.06553	2.5
85.10200	1.2
88.07642	3.5
91.05486	72.0
93.07050	85.3
94.45921	0.9
95.04978	22.0
95.08614	46.2
97.02887	1.2
97.06540	6.6
97.10177	4.0
99.08101	1.5
102.09174	2.5
103.05457	1.4
105.04518	2.9
105.07039	46.5
107.04974	7.0
107.07868	1.7
107.08601	33.0
109.06521	6.6
109.10170	12.2
111.08092	2.2
115.05463	2.0
117.07024	15.4
119.06126	1.2
119.08588	29.1
120.34369	0.9
121.06532	3.5
121.10154	23.7
123.08083	4.9
123.11707	2.0
125.09627	1.2
128.06235	3.7
129.07011	15.2
130.07840	1.2
131.08571	12.3
133.06496	1.6
133.10136	13.3
135.08118	1.1
135.11699	10.6
141.06999	1.0
141.09178	1.1
142.07799	1.2
143.08583	11.2
143.75035	0.9
145.10141	17.5
147.04504	1.1
147.08051	2.8
147.11694	34.2
149.13266	5.1
155.08592	2.4
157.10152	2.9
159.11711	4.6
160.21347	0.9
161.09679	4.9
161.13255	15.5
163.14804	1.2
169.10158	4.1
171.11708	26.7
173.13240	4.3
175.14893	1.4
177.12788	1.0
181.10130	1.5
183.11740	1.8
185.13304	2.5
187.14763	1.8
188.16150	1.1
189.12735	9.1
197.13330	2.1
199.14835	2.4
200.90007	0.9
207.13818	30.1
223.14893	0.9
225.14903	2.5
243.21107	1.4
256.26385	5.8
257.26761	2.6
261.22110	4.4
281.17535	1.9
284.26654	1.1
284.29468	1.3
285.29953	1.0
311.29517	5.4
312.29871	3.1
317.24951	1.6
384.78500	1.0
449.34140	2.8
467.35449	1.1
485.36627	1.6
523.38013	2.0
540.53687	5.7
541.39001	89.5
541.52905	15.9
542.39575	2.0
554.74371	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66700	0.3
55.05523	0.4
57.07069	0.3
67.05521	0.4
70.70757	0.3
71.08573	0.3
71.55519	0.4
79.05521	0.4
81.07072	0.3
86.47870	0.3
88.04973	0.3
91.05526	0.4
93.07040	0.4
105.07024	0.4
113.09180	0.3
119.08623	0.5
129.06972	0.4
145.10097	0.5
202.27585	0.4
372.16278	0.3
467.32581	0.5
541.37177	100.0
542.37537	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01612	1.0
51.02385	2.0
53.03958	8.5
55.01867	3.6
55.05519	25.3
57.03435	3.3
57.07084	8.8
65.03939	5.6
67.05511	79.1
69.03429	3.1
69.07071	17.7
70.06598	5.3
71.04995	4.3
71.08637	3.3
73.02924	0.9
73.06548	2.2
77.03907	1.6
79.05499	100.0
81.03432	7.1
81.07065	67.8
83.04988	11.7
83.08625	10.2
83.39263	0.8
85.06552	3.0
85.10201	1.8
88.07638	6.8
91.05489	68.1
93.07053	88.4
95.04984	18.3
95.08614	44.4
96.08945	0.8
96.87270	0.7
97.06552	4.5
97.10183	5.0
98.21552	1.4
99.08097	0.9
102.09184	6.6
103.05497	2.3
103.09548	1.2
105.04556	4.3
105.07040	45.1
107.04980	5.7
107.08607	32.9
109.06514	6.0
109.10172	10.7
111.08082	2.0
115.05459	2.5
117.07024	13.3
119.08592	28.0
121.06538	2.9
121.10155	17.5
123.08107	4.5
123.11727	2.3
125.09631	1.2
127.07595	1.6
128.06238	3.0
129.07010	15.2
131.08592	12.5
133.06537	1.1
133.10149	13.8
133.11086	1.0
135.08110	1.7
135.11700	11.3
137.09663	1.3
141.07021	1.4
143.08582	9.9
145.10129	16.7
146.89288	0.8
147.08099	1.7
147.11705	31.5
149.13269	3.6
153.61317	0.8
156.09387	1.4
157.10184	2.9
159.11696	6.3
161.09645	3.0
161.13277	13.6
163.11185	1.3
163.14848	1.3
167.08627	1.0
169.10187	2.5
171.11708	25.1
173.13260	3.7
175.14862	1.7
177.12744	0.8
179.14279	1.4
181.10178	1.2
183.11726	2.0
187.14845	1.9
189.12732	7.5
197.13324	1.2
199.14934	0.8
201.16466	1.0
207.13811	26.3
209.98589	0.7
225.14908	2.2
256.26355	9.1
257.26648	5.6
261.22083	4.1
274.27573	0.9
275.27945	1.1
277.98059	0.8
281.17529	1.3
283.26422	2.2
284.26627	2.1
284.29626	2.4
285.29901	1.8
306.45468	0.7
311.29495	7.8
312.29697	6.3
317.24896	1.8
323.24045	0.8
353.24747	0.9
449.34247	2.7
467.35153	1.3
523.37750	2.0
540.53467	8.7
541.38989	72.9
541.53619	32.7
542.39117	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	540.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86677	0.4
61.02929	0.8
61.14743	0.5
61.60283	0.4
69.44141	1.6
69.44562	2.0
69.47887	0.4
69.97076	0.4
70.06593	0.9
81.03423	0.6
85.02911	4.8
91.05482	1.7
97.02920	1.2
103.05457	0.7
103.76470	0.4
115.05430	1.5
116.06303	0.6
117.06977	0.6
119.04987	0.6
127.03894	0.9
128.06195	1.0
129.07030	8.0
131.04926	1.3
131.08569	7.1
137.06000	2.6
141.06990	5.8
143.04956	0.8
143.08569	0.6
144.05704	0.7
145.05080	0.5
146.07246	0.6
147.04407	1.9
148.04921	0.5
157.06496	5.6
158.07263	2.7
159.08080	6.0
160.05191	0.6
161.09628	1.0
163.07590	0.7
169.06488	3.2
169.07678	0.5
170.07225	0.9
173.06006	0.5
174.06789	13.5
175.07568	2.9
186.06741	3.9
187.07515	0.8
188.08365	1.0
189.09122	25.2
191.10699	2.2
201.09105	9.3
207.10202	0.9
219.10181	100.0
220.10530	0.8
243.42542	0.5
255.62053	0.5
295.06015	0.9
307.05972	0.9
321.07593	0.7
335.09149	0.6
337.07095	0.7
349.07187	0.5
391.08032	0.7
421.09244	1.1
475.11069	0.6
523.12860	0.6
540.30627	0.8
541.13324	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	1.0
56.96530	0.9
57.03404	0.7
67.05482	1.0
69.03405	1.3
69.07021	1.2
70.06558	0.6
71.04943	0.6
71.56154	0.7
79.05460	0.7
81.03413	0.6
81.07004	2.5
83.04906	0.7
85.02855	1.7
91.05439	1.4
93.07008	1.4
95.08563	2.1
97.02848	1.2
97.06471	0.6
97.71621	0.6
98.97550	1.6
105.07014	1.3
107.08579	1.4
109.06476	0.7
109.10129	1.1
109.23287	0.5
119.08549	1.4
121.10107	1.2
127.03923	0.8
131.08502	0.9
135.11681	0.9
137.05923	0.9
139.11140	0.6
145.10100	0.9
147.58463	0.7
158.99742	0.6
161.04813	0.6
161.06482	0.7
167.07062	0.7
174.13191	0.5
194.29579	0.8
234.07414	0.8
237.02779	0.8
249.17096	1.2
271.04248	1.6
275.16135	1.2
289.05093	0.8
293.17255	100.0
294.17484	1.3
308.07181	0.6
309.28183	0.6
311.17142	3.8
330.39554	0.6
344.35446	0.6
353.56180	0.6
361.23505	0.9
379.24664	3.7
455.22223	1.8
497.23666	22.0
498.24377	0.7
521.65167	0.8
541.22522	81.5
541.30072	13.6
542.22913	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.9
61.02911	0.8
62.12168	0.5
65.60622	0.4
69.03417	2.1
70.06599	0.8
70.16830	0.5
71.55547	0.9
73.02911	0.8
81.03407	0.7
85.02911	4.8
86.09695	0.6
87.04466	0.5
91.05479	1.4
97.02876	2.1
106.87922	0.5
107.08598	1.1
109.02851	0.8
115.05491	1.2
124.04001	0.6
126.05592	0.5
127.03873	1.0
128.06235	1.1
129.07008	6.2
131.04897	1.6
131.08565	6.9
135.08060	0.7
137.05940	1.7
141.07027	4.2
143.08525	0.7
144.05656	0.7
145.04964	1.3
146.07242	0.5
151.03925	0.5
157.06512	4.7
158.07248	2.5
159.08072	5.3
160.05190	1.0
161.09613	0.9
163.07558	2.1
169.06523	2.7
170.07274	1.2
174.06776	12.4
175.07578	2.8
180.08704	1.3
181.08578	1.6
186.06772	2.2
188.08258	0.8
189.09114	24.5
191.10721	2.2
201.09113	9.7
207.10146	1.2
215.69160	0.4
219.10172	100.0
220.10497	1.5
234.32745	0.5
237.11195	0.8
291.05130	0.5
306.06894	0.4
349.06989	0.6
540.23419	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53495	1.3
56.96585	1.7
69.03474	1.4
70.06610	2.9
70.30032	3.2
70.30425	3.1
79.05502	1.9
85.02901	7.3
86.09756	1.6
89.03963	2.2
91.05494	9.0
93.03411	6.8
93.07050	3.9
97.06567	2.1
98.97606	1.7
103.05490	2.8
105.06999	1.6
106.04161	13.2
107.04971	2.9
113.38321	1.3
114.35329	1.3
117.07071	1.4
119.04926	3.4
120.45109	1.4
121.02876	7.2
121.06504	14.4
125.05998	4.3
129.06982	7.4
131.04944	2.3
131.08585	6.4
134.03664	1.9
137.06003	4.5
141.07007	6.3
143.04886	1.4
145.02821	2.1
145.06439	1.5
149.05992	23.8
153.09125	6.0
157.06487	7.3
158.07249	2.1
159.08084	6.0
163.07530	2.4
169.06482	3.9
169.42201	1.7
170.07233	2.4
174.06757	11.8
175.07608	3.5
177.05487	11.9
181.08601	9.3
186.06764	3.2
189.01836	2.0
189.09113	24.9
191.07008	1.7
195.02979	2.1
201.02061	1.7
201.09140	11.0
203.03447	4.2
207.10188	1.8
209.06100	2.5
209.08098	48.4
217.01308	1.4
217.04918	3.4
219.02910	1.7
219.10175	100.0
220.10449	1.5
223.04279	3.0
227.03438	2.5
229.04947	1.7
279.06271	1.4
283.06079	3.8
294.05328	1.6
295.06033	19.9
307.06009	15.1
308.06494	1.8
309.07626	3.8
319.06110	3.1
320.06711	2.1
321.07611	5.6
322.08597	1.7
325.07153	5.9
333.07596	2.2
335.09247	6.2
337.07269	2.9
345.07501	2.4
347.09225	4.4
349.07016	8.6
361.07068	6.0
363.08609	6.1
373.07013	3.3
375.08557	2.5
379.08060	2.8
381.15350	1.6
391.08221	11.9
403.08121	4.9
409.09259	9.4
421.08862	6.4
427.10242	3.6
437.08875	1.6
439.10394	2.2
459.10870	2.1
475.10181	3.2
481.11029	2.1
487.10251	2.7
493.11337	3.5
505.11511	8.9
523.12439	10.9
524.95160	1.4
541.13373	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	540.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96543	0.6
67.05482	0.8
68.02273	0.5
69.07054	1.4
69.65035	4.0
81.07050	1.1
85.02874	2.0
85.06495	0.6
93.07030	1.0
93.08364	0.6
95.08556	0.9
97.02847	0.8
98.97547	1.0
107.08527	0.9
109.06476	0.6
110.06065	0.7
120.04490	0.9
122.06017	0.8
129.05463	0.6
131.04889	0.6
135.40674	0.6
136.07596	0.8
137.05959	1.7
140.07028	0.7
147.11664	0.6
152.07040	2.0
156.10179	1.7
172.03845	0.7
175.07571	1.0
176.07872	0.8
176.10706	1.2
194.08109	1.6
196.57924	0.6
205.08591	0.7
209.10762	1.1
219.01680	0.6
223.12265	2.2
224.09349	0.7
225.10263	2.8
234.11435	0.7
235.08633	3.5
236.09425	4.0
237.02716	1.4
237.10205	9.9
238.11043	2.0
239.11833	0.9
240.12526	0.8
248.09338	0.6
249.10291	8.9
250.11037	4.8
251.08301	1.9
251.11815	16.6
252.08855	0.9
252.12495	2.5
253.09741	14.7
253.13329	1.5
254.10411	0.7
261.10211	1.0
262.11127	0.9
263.08206	1.3
263.11829	2.4
264.08929	0.8
265.09738	19.5
265.12790	1.0
266.10437	1.2
266.14087	0.6
267.11337	4.1
267.13889	0.6
269.13037	0.5
269.84299	0.6
277.09775	4.3
278.07269	0.7
278.10461	6.6
279.07742	4.8
279.11292	24.9
280.12076	4.9
281.09985	0.6
281.12762	2.7
282.10165	0.6
282.94794	0.6
283.10699	0.7
289.09567	1.0
291.11240	1.1
293.09195	6.5
293.12854	5.1
294.09946	3.1
294.13284	0.9
295.05917	1.0
295.10788	3.5
295.14407	3.4
296.11606	1.8
297.12335	5.6
299.14026	0.9
306.09958	1.1
307.05966	0.6
307.10767	3.5
308.11530	1.7
309.09073	1.1
309.12323	5.5
311.10284	3.6
311.13904	3.6
312.11041	11.3
321.07782	0.7
323.13931	1.5
324.11008	4.0
325.11862	12.6
326.12247	1.2
327.13416	45.1
334.09305	0.6
335.10376	4.7
336.11002	1.5
337.11853	4.5
339.13416	100.0
340.13934	3.5
341.14938	0.9
352.10629	2.1
353.11304	8.8
357.14319	0.9
367.12921	84.2
368.13629	7.2
369.14465	0.7
384.13113	1.0
385.10303	0.4
385.13968	15.3
399.15558	17.3
446.32318	0.6
476.17993	4.9
480.21442	2.4
503.17624	0.6
508.20847	86.4
509.21518	2.5
526.21985	1.4
540.23486	14.8
541.12823	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
54.70444	0.9
55.01871	1.9
59.63127	0.8
64.81277	0.8
65.03938	2.7
67.05516	1.2
70.06617	0.9
71.55166	0.8
75.04478	3.3
77.03951	1.0
77.93553	0.9
78.04707	2.3
79.05066	0.9
79.05494	2.7
85.02908	4.3
89.03915	1.9
91.05490	11.7
93.03418	10.3
93.07080	6.0
95.04973	4.4
97.06521	2.4
98.97578	1.3
103.05452	5.4
105.04550	1.0
106.04176	25.4
107.04988	2.1
109.06511	1.1
115.05476	0.9
117.03471	1.3
118.04123	1.3
119.04959	2.3
121.02892	3.7
121.06509	28.1
123.04417	1.0
124.05288	1.3
125.05975	7.2
129.07008	3.5
131.04915	2.3
131.08589	1.9
133.06490	1.0
134.03647	4.7
137.05991	4.9
139.07498	2.3
141.07007	2.5
145.02852	1.4
147.04434	1.5
148.05215	2.7
149.05995	39.5
151.07568	3.2
153.09109	11.5
157.06543	2.1
158.07257	1.7
159.08012	2.2
163.04010	1.8
163.07608	1.5
167.07082	2.4
169.06519	2.0
174.06781	5.5
175.07567	1.0
177.05473	22.4
181.08595	22.1
189.09102	8.4
191.07033	2.8
201.09189	2.7
203.03442	1.9
209.08102	100.0
219.10178	33.8
223.04259	6.4
255.03075	1.0
295.06046	8.0
297.07556	0.9
307.06018	4.1
308.06793	0.9
309.07397	1.1
312.64532	1.0
320.06747	1.4
321.07611	3.9
333.07568	1.5
335.09149	1.6
337.07047	2.8
347.09076	2.0
349.07141	4.8
363.08713	1.8
373.06744	1.2
379.08051	2.2
391.08203	2.9
403.08221	1.8
409.09219	1.7
421.09109	3.7
427.10181	3.4
445.08856	1.4
475.10477	1.5
495.12946	1.1
505.11136	2.7
523.12134	4.2
541.13342	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	540.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.8
53.03946	4.4
55.01869	2.1
55.05500	4.1
56.96575	1.8
57.03443	11.7
58.52240	1.2
65.03938	2.2
67.05495	5.1
69.03432	10.2
69.07087	1.6
70.06600	2.6
70.75798	2.5
70.76166	2.6
71.01365	6.7
71.04967	1.2
73.02927	7.5
75.04486	1.3
78.03450	3.9
79.05499	25.2
80.05016	4.2
80.05821	1.3
81.03429	2.4
81.07056	8.7
83.04992	1.4
83.08642	1.3
84.54967	1.3
85.02912	20.1
85.06544	3.3
86.09675	2.2
91.05486	21.2
93.07051	91.8
95.01350	4.1
95.04976	5.3
95.08598	5.0
96.04512	2.5
97.02904	4.0
98.97579	1.6
99.00867	2.0
101.02397	3.2
103.03956	4.7
103.05457	1.7
105.04505	1.9
105.07051	14.1
106.02924	20.3
107.08608	23.7
109.06503	1.6
109.10146	3.8
113.02357	9.8
116.06239	1.6
116.07062	2.0
119.08598	3.8
120.08134	2.9
121.06517	4.2
121.10150	75.5
122.10524	1.4
123.08100	2.6
124.03963	100.0
131.03400	2.5
131.08589	10.9
133.10144	1.5
137.06009	2.8
141.01828	4.9
143.06970	1.6
149.09627	37.8
167.10638	2.2
180.06575	32.2
183.89882	1.2
198.07623	16.9
213.91599	1.5
222.07465	1.5
223.13298	41.7
230.73376	1.3
236.17159	1.3
243.50391	1.2
257.85834	1.3
263.12048	1.3
306.25027	2.0
321.14096	1.3
324.26633	1.4
346.16510	60.6
347.17114	1.3
356.09723	7.9
374.10812	3.6
399.16541	12.5
417.17584	2.7
470.73593	1.4
522.19806	36.1
540.19501	2.4
540.27295	4.6
541.22107	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.9
55.01862	5.2
55.05505	26.6
57.03434	7.1
57.07081	31.4
63.11278	3.1
65.03950	5.0
67.05514	45.6
69.07076	26.6
69.24161	27.5
71.08626	21.7
79.05493	49.4
81.07063	54.2
83.04992	5.2
83.08636	20.0
85.10175	13.7
91.05489	35.8
91.48331	4.2
93.07046	38.1
95.04950	8.8
95.08620	50.6
97.06536	8.7
97.10153	11.6
97.23483	3.7
99.04487	3.3
105.07039	27.5
107.04929	9.1
107.08582	26.6
109.10166	21.3
117.07008	17.6
119.08580	25.2
121.10134	9.2
123.08104	5.2
123.11731	4.9
125.09612	6.9
128.06236	4.2
129.06984	14.2
131.08528	16.1
133.10098	12.5
135.11716	20.4
135.76463	4.4
137.13246	3.7
139.20509	3.3
141.06998	6.2
143.08533	10.2
145.10138	27.2
147.11688	9.1
153.71715	3.4
155.08569	13.4
157.10114	14.1
159.11713	9.6
163.11185	29.1
163.48976	3.2
165.04756	3.4
167.08519	9.3
169.10138	15.6
171.11679	10.0
173.13245	8.4
177.12718	4.4
181.10089	9.5
181.12175	7.2
183.11719	15.0
185.13190	6.8
193.10089	3.3
195.11696	13.3
197.13258	10.2
199.13144	4.1
199.14854	6.3
207.11783	4.3
209.11749	9.5
209.13429	3.6
211.14871	4.7
213.16483	3.9
221.13365	8.0
223.14822	4.4
227.12804	50.5
239.23648	5.3
283.15372	28.4
311.29706	4.6
313.27399	48.1
359.42230	3.4
387.47528	3.2
447.32727	17.6
465.33597	10.2
521.38257	34.5
539.37567	100.0
540.53534	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	540.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17005	1.3
56.96575	10.1
58.85562	0.9
71.54700	1.2
84.96059	1.5
89.03912	2.7
96.30456	1.0
98.97592	7.1
112.07614	2.2
116.98637	2.3
117.03400	2.0
119.04901	1.1
127.03941	1.3
128.98619	1.8
130.08698	1.3
135.04407	5.2
138.79356	1.0
145.02867	3.6
147.04459	2.6
156.03339	42.9
158.99690	2.3
163.03926	17.2
164.04236	3.2
168.03346	20.2
174.04408	50.6
177.00789	1.5
180.98206	0.9
182.67410	1.2
186.04405	100.0
189.00685	1.1
192.05458	8.3
202.03934	1.7
204.05472	79.0
209.05882	1.9
219.01718	1.4
222.06534	2.3
227.07050	1.8
228.05475	21.4
237.00697	3.5
237.02913	3.0
240.05464	3.3
246.06529	10.1
254.07100	8.0
255.01807	3.3
260.04456	1.5
262.06079	1.5
269.08072	1.0
272.04465	1.5
273.02786	1.6
281.07111	1.4
288.07837	1.1
330.06497	1.2
332.06589	2.8
333.69104	1.1
348.07700	10.7
360.06070	29.5
366.08655	10.6
378.07120	9.8
401.09052	1.1
522.09344	2.9
538.00574	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58932	1.7
53.03934	2.1
55.01884	2.6
55.05503	5.4
57.03432	2.4
57.07083	14.0
59.04979	2.2
67.05182	2.1
67.05510	27.3
69.03422	7.1
69.07079	15.7
70.06583	5.5
71.04985	3.6
78.49694	1.5
79.05502	17.4
81.07063	33.4
83.04967	2.8
83.08613	3.4
84.08106	2.1
85.02895	8.7
85.06548	100.0
91.05486	16.8
93.07050	34.1
95.04950	4.1
95.08607	29.9
97.02884	2.4
97.06506	4.4
97.10146	2.5
99.08081	7.3
103.05450	2.8
105.07034	20.7
107.08589	23.0
109.06500	2.4
109.10160	21.8
111.08071	3.2
119.08598	22.5
119.12840	2.0
121.06459	3.9
121.10153	16.1
123.11684	7.8
125.09621	6.8
127.03967	2.5
129.10237	3.4
131.08539	6.3
133.10138	17.0
134.59589	1.6
135.11700	13.5
136.07571	2.0
137.05951	2.6
137.09579	4.9
139.11185	5.0
142.07768	2.1
143.08540	3.5
145.10098	10.2
147.04358	3.5
147.11684	10.6
149.13210	8.2
153.12772	2.8
157.10126	2.1
157.12233	4.1
159.11736	8.6
161.13245	5.4
163.11166	3.6
163.14792	4.2
173.13278	4.6
175.14827	5.1
175.18269	2.0
177.12749	1.8
177.16402	2.9
180.06667	2.2
181.12242	5.6
187.14796	4.5
189.16364	6.7
190.64888	1.8
193.15826	3.0
203.17879	2.2
209.08096	4.2
211.16916	6.5
213.16309	5.0
229.19658	2.2
237.70467	2.2
269.22659	4.3
275.23627	2.4
287.23737	7.5
293.24722	3.9
296.00488	1.8
305.24713	11.7
311.25702	2.9
323.25824	13.4
339.62018	2.0
341.26822	16.7
359.27847	8.3
539.17523	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	539.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.05495	1.0
56.96546	0.6
66.87143	0.4
67.05489	1.8
67.37719	0.4
69.03416	1.5
69.07056	1.1
71.04971	0.6
71.55090	0.7
73.02908	0.4
75.70868	0.4
79.05476	1.6
81.03405	1.3
81.07053	2.9
81.66015	0.4
83.04962	0.7
83.08611	0.6
85.02911	2.0
91.05461	1.6
92.89692	0.5
93.07058	2.1
95.04951	1.3
95.08611	2.5
97.02873	0.8
97.10143	0.6
99.04424	0.5
105.07002	1.4
105.91610	0.5
107.04956	1.0
107.08604	1.3
109.02869	0.6
109.10143	1.2
117.06963	0.6
119.08555	1.1
121.10107	1.2
123.11674	0.5
127.03882	1.4
133.10117	0.9
135.11696	0.5
137.05977	0.8
145.10129	0.7
147.11559	0.7
151.07251	0.5
159.11642	0.8
181.05243	0.5
181.09798	0.4
209.11557	0.8
313.03336	0.4
318.07156	0.5
377.23001	100.0
378.23297	2.2
539.28259	52.3
540.28650	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.2
55.01883	1.2
55.05271	1.2
55.05513	19.2
56.96553	2.9
57.03451	6.0
57.07066	3.7
65.03923	1.2
67.05513	18.7
69.03421	3.1
69.07074	30.3
69.96072	3.8
70.06591	1.3
70.10410	1.0
71.04997	1.8
73.02907	1.3
75.04435	1.2
79.05492	10.5
81.03420	1.5
81.07062	33.2
83.04962	1.9
83.08630	17.9
85.02914	5.0
85.06532	2.6
91.05466	7.0
93.05497	2.2
93.07060	11.4
93.50053	1.1
94.04221	1.5
95.01341	1.9
95.04963	1.5
95.08057	1.9
95.08612	26.1
97.02885	2.1
97.06509	4.1
97.10178	14.3
99.04461	1.2
99.08073	1.4
103.05398	1.4
105.07018	7.0
106.97782	1.0
107.05029	1.2
107.08608	9.0
109.02868	1.4
109.06502	1.9
109.10165	15.6
111.08058	2.3
111.11729	7.4
117.03441	1.0
117.07057	1.5
119.04967	3.0
119.08609	8.9
120.08884	1.1
121.10151	10.4
122.03644	4.9
123.08071	2.6
123.11715	4.9
125.09644	2.6
125.13282	1.4
127.03868	1.9
131.04971	1.1
131.08557	1.0
132.70346	1.0
133.10141	8.4
135.11719	10.8
137.05989	47.0
137.09610	2.5
137.13255	3.7
139.11212	2.1
141.01830	2.5
145.10132	1.4
147.04405	4.9
147.11676	6.7
149.05975	1.1
149.13240	2.8
151.07518	1.3
151.11194	2.7
151.14821	1.4
153.12743	1.8
157.10205	1.0
157.12233	1.1
161.05849	1.4
161.13261	5.7
165.12747	3.3
175.07571	1.6
175.14792	1.2
177.05412	1.2
179.14284	1.9
191.17902	1.0
217.19516	9.2
235.20605	11.0
237.18340	1.2
243.73399	1.2
253.21617	8.2
309.24277	4.8
327.25308	100.0
345.26352	5.4
353.31635	1.0
362.06042	1.2
367.15472	3.7
384.21442	1.1
392.22876	1.1
485.27475	3.1
503.27884	1.6
521.29376	1.8
539.14001	2.0
539.28101	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	537.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	10.5
55.05507	24.7
57.03424	13.2
57.07078	56.5
59.61178	5.1
67.05505	74.3
69.07077	28.4
71.04060	12.5
71.08633	35.2
73.06548	5.3
79.05495	73.5
81.03416	12.2
81.07065	59.0
83.04970	15.6
83.08617	24.2
85.10175	14.6
91.05489	62.1
93.07049	79.2
95.04975	21.2
95.08611	57.1
97.10177	8.4
105.07018	48.3
107.04953	7.8
107.08582	17.2
109.06512	7.6
109.10143	16.5
117.07017	7.3
119.08582	25.4
121.06486	5.4
121.10132	11.7
123.08090	8.2
129.07024	14.2
133.10153	10.3
143.08546	10.3
145.10088	10.2
145.81198	3.9
147.11697	40.5
151.34793	3.8
161.09668	5.8
161.13319	10.5
171.11734	27.1
189.12743	10.6
207.13797	32.9
239.23595	7.6
262.57498	4.5
268.93118	4.2
281.17493	73.4
313.27359	88.0
519.40491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1401
Annotation	6-Hydroxymyricetin 6,3',5'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
55.01881	0.6
57.03431	0.5
61.02924	1.2
64.37893	0.5
67.05497	0.6
69.03435	2.9
69.07063	0.6
70.67033	1.1
73.06280	0.5
79.05495	0.7
81.03402	1.8
81.07074	1.3
85.02914	7.6
85.06574	0.5
95.04993	0.7
95.08624	1.0
97.02889	2.8
107.08576	0.6
109.02879	0.8
119.08680	0.6
123.04460	0.6
127.03937	1.4
145.05040	1.3
151.03929	0.6
169.01306	1.0
176.04707	1.0
177.11403	0.5
179.03253	0.6
183.02959	1.3
210.74399	0.5
217.79199	0.6
245.04514	1.4
270.05225	1.7
273.03983	1.8
276.02551	0.7
287.01990	0.9
289.03464	0.7
289.07263	0.7
291.05005	3.1
298.04755	1.6
301.03403	1.5
304.02081	1.7
315.01477	1.0
316.02295	9.2
316.05862	1.9
317.02924	2.3
317.06387	0.7
318.03738	1.5
319.04562	3.8
329.03064	0.9
332.01755	0.8
333.02692	1.3
333.06122	1.6
344.05389	2.4
345.06198	1.6
346.03162	2.7
347.03995	15.4
361.05563	10.1
362.02844	0.3
362.06317	20.9
377.08716	100.0
378.08997	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01857	0.5
55.05505	1.8
57.03425	1.7
60.04532	1.2
61.02920	2.3
67.05489	2.0
69.03439	4.4
69.07054	2.0
70.06593	0.9
71.05006	1.1
71.55679	0.6
73.02917	0.6
79.05486	1.2
81.03416	1.3
81.06735	0.4
81.07068	4.9
83.04973	1.0
83.08624	0.7
84.08176	0.6
85.02912	8.9
85.06551	1.9
86.09695	1.4
91.03992	0.6
91.05479	1.4
93.07034	2.4
94.04218	0.5
95.04984	1.0
95.08616	2.8
97.02887	4.0
98.06057	0.5
100.11254	2.2
105.07021	1.5
107.08611	2.8
109.02883	1.8
109.06546	0.7
109.10163	2.5
111.04425	0.8
118.04128	0.6
119.08587	1.5
120.08105	0.5
121.10130	1.3
123.11730	1.1
125.09617	0.6
127.03919	2.0
127.11141	0.6
131.08571	0.7
133.10158	1.0
135.11725	1.3
137.05986	5.3
137.13309	0.6
139.03894	0.9
145.04982	0.9
145.10141	0.6
147.04417	1.8
147.11749	0.8
149.13319	0.8
151.07545	0.7
151.93794	0.5
153.05542	1.2
159.11673	0.7
161.13364	0.6
164.04700	1.8
165.05417	0.6
167.07074	0.8
168.13857	0.7
169.01337	4.7
169.04997	1.5
169.06451	0.6
171.13802	0.7
174.03058	0.5
176.90434	0.4
177.05470	0.8
181.05049	0.9
183.02946	1.3
192.04245	1.0
193.05046	0.8
195.02846	1.1
210.14915	1.8
227.07237	0.9
231.02681	0.6
245.04475	1.6
270.05295	1.1
273.03903	1.9
274.04776	0.7
287.01883	0.9
291.05093	1.5
295.20160	0.6
298.04788	1.0
299.05618	0.6
301.03537	1.4
302.04315	3.1
303.05096	0.9
304.02136	1.0
305.24649	0.6
314.04608	0.5
316.02213	4.5
316.05826	1.3
317.03082	0.8
317.06467	1.2
318.03751	0.7
319.04547	3.8
329.03003	0.6
331.04547	2.9
333.02487	0.6
333.06021	1.6
344.05341	1.7
345.06134	1.1
347.04108	3.4
361.05582	4.6
362.06360	32.5
377.08710	100.0
378.08890	1.1
435.17996	1.6
453.19000	0.8
538.39624	1.4
539.20416	0.7
539.40393	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2884
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
55.05512	1.0
57.03431	0.8
57.19108	0.3
67.05509	1.8
69.07064	0.5
71.55491	0.3
79.05489	1.1
81.03426	1.4
81.07056	2.1
83.04984	0.3
83.08620	0.7
84.08156	0.9
85.02922	1.3
87.79629	0.3
91.05470	1.8
93.07053	1.0
93.71239	0.3
95.04969	0.8
95.08605	0.9
105.07050	0.9
107.04970	0.4
107.08616	0.8
109.10178	0.4
119.08602	0.9
121.10151	0.7
129.07071	0.6
131.08600	0.8
133.10149	0.9
147.11659	0.7
149.09645	0.4
157.10152	0.4
175.11174	0.6
193.12277	0.8
209.34995	0.3
211.13300	0.3
251.12585	8.6
261.52957	0.3
262.83313	0.4
269.12540	0.5
285.16922	1.0
300.36160	0.3
307.11737	0.7
307.15182	7.2
442.38617	0.3
535.28839	100.0
536.29169	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	535.2886
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
55.05507	0.9
55.92847	0.6
56.96561	1.9
57.03429	1.0
67.05514	3.6
69.07062	1.7
69.29764	5.2
79.05493	1.7
81.07066	6.0
82.63139	0.6
82.65411	0.6
83.04990	0.7
83.08631	0.6
91.05485	2.2
91.98595	0.5
93.07032	1.2
95.08616	1.2
96.36570	0.6
97.02962	0.7
105.07022	2.9
107.08619	0.9
107.95374	0.5
109.06522	0.8
109.10163	0.7
119.08614	1.9
121.10130	0.9
123.11710	1.5
133.10272	0.7
139.82817	0.5
147.11703	4.4
165.12804	1.1
179.05594	0.6
184.57152	0.6
190.91603	0.6
212.19188	0.6
251.12701	7.4
267.16022	1.2
269.12494	2.7
285.17068	1.5
307.15231	8.0
325.15112	2.3
406.17868	1.4
491.29773	2.6
535.28815	100.0
536.29181	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2026
Annotation	Syringin-4-O-beta-glucoside
Peak:m/z	Relative Intensity
55.01867	9.8
57.03423	24.8
57.07083	42.2
67.05483	7.7
69.32867	70.2
69.57942	7.5
78.90982	9.8
81.03442	9.5
81.07039	8.8
85.02911	32.4
85.06529	13.2
98.21584	12.5
107.04984	9.9
112.26611	8.0
123.04343	7.9
129.06989	9.6
135.04494	11.8
137.05949	11.2
143.08504	9.6
145.06425	8.5
162.58612	8.9
167.08502	9.5
171.08038	10.0
177.05464	11.3
183.08073	9.6
185.05963	10.5
187.03951	10.6
187.07564	10.2
189.09053	8.2
191.07037	8.6
199.07498	17.1
201.05487	14.2
201.09105	19.9
203.03383	10.8
205.08496	13.0
211.07559	9.8
213.09090	29.7
215.07010	23.3
215.10675	8.4
217.05026	17.5
217.08607	55.4
223.09715	12.0
227.06955	13.5
227.10553	17.2
229.04965	15.7
229.08620	58.9
231.10103	9.8
235.09691	37.8
241.04927	12.3
241.08595	31.9
243.06589	11.9
243.10188	19.0
245.08043	18.0
247.09644	39.8
253.08519	9.7
253.10785	13.5
255.06792	9.7
255.10223	27.1
259.09723	44.6
261.07635	9.7
265.10669	52.8
267.10248	14.6
271.09567	47.4
277.10831	44.7
281.08093	11.8
283.09576	43.6
285.11081	9.9
287.05496	30.6
289.10687	71.5
295.09494	15.2
297.11349	12.0
301.10693	79.1
313.10721	53.5
319.11816	50.8
321.11285	12.7
325.10779	38.2
331.11786	96.5
337.10641	24.6
339.12323	9.6
343.11826	95.8
349.12692	27.2
355.11600	66.0
361.13095	39.1
365.12363	11.4
367.14252	100.0
369.14429	10.0
379.13782	37.5
385.12854	63.4
397.13739	33.6
403.14026	51.6
415.13681	44.7
421.14926	35.7
427.13800	23.3
433.15002	62.4
445.15033	34.5
463.15857	44.4
481.16760	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24995	1.9
52.78521	1.9
53.03951	3.3
55.01871	5.6
55.05519	9.5
57.03442	23.3
61.02923	2.6
67.05510	32.9
69.03432	10.1
69.07067	19.2
69.35777	16.3
71.01363	18.4
73.02927	26.6
75.04465	3.5
79.05503	23.5
81.03421	5.2
81.07067	100.0
83.01378	3.7
83.04989	7.7
83.08623	7.8
85.02913	47.3
85.06531	7.8
91.05491	44.2
92.13187	2.0
93.07050	15.4
93.95831	2.2
95.01347	18.5
95.01905	3.2
95.04982	5.9
95.08617	25.2
97.02900	6.0
97.06558	9.9
98.97555	2.2
99.00831	6.1
99.04462	3.0
99.08105	7.2
101.02367	10.2
101.06023	2.5
103.03970	6.3
105.07041	49.6
107.04972	7.9
107.08617	16.7
109.06538	6.3
109.10184	5.1
111.08077	2.7
113.02374	19.1
113.06005	4.0
115.05476	2.2
117.07008	3.7
119.04950	5.6
119.08582	37.3
121.06517	2.3
121.10161	20.7
123.08077	4.0
123.11716	26.6
127.07626	3.7
129.07021	2.7
131.03427	4.8
131.08562	4.0
133.10121	5.9
135.04431	6.2
135.07982	2.1
137.06004	8.6
137.13268	4.3
141.01839	30.7
145.02841	12.1
145.10139	3.3
147.04434	11.4
147.11707	91.2
149.06313	1.8
149.07422	13.1
149.09549	2.4
151.03934	5.4
153.84453	2.1
157.10168	4.7
159.02922	4.1
161.05981	2.7
163.03917	11.3
165.12764	55.4
167.07086	2.7
175.11189	7.6
177.05461	23.7
179.07231	1.8
183.13826	12.5
189.08992	2.3
193.12239	10.9
211.13202	4.7
215.05450	5.0
229.14343	31.3
239.57478	2.1
253.10429	1.9
257.08124	9.6
261.12671	2.8
261.99530	2.3
267.15936	90.8
285.16989	70.6
286.62021	2.1
287.05643	13.9
289.76633	2.2
313.11804	2.2
341.19659	13.8
359.20718	35.6
378.31876	2.2
383.20529	2.5
407.16809	2.7
431.18915	15.1
443.19241	2.4
505.96814	1.9
535.23700	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	9.0
57.03439	12.5
57.07079	40.5
67.05499	7.4
69.03423	12.4
69.40046	44.2
77.19045	4.8
81.03468	14.5
85.02923	28.6
85.06547	10.0
88.14835	4.8
91.05498	9.8
95.05013	6.1
97.02897	14.8
103.03956	6.8
107.04919	6.9
121.02909	7.1
125.85364	5.0
135.04404	6.0
135.08076	9.7
143.08649	6.1
145.02875	10.0
147.04498	6.4
147.08037	7.3
157.10149	6.7
161.06041	8.1
163.03835	7.9
163.07657	8.0
164.79407	4.9
169.06503	8.5
171.07997	8.0
173.02353	6.1
173.05968	8.3
175.03880	10.3
177.05502	12.2
185.06036	9.5
185.09633	10.1
187.03972	13.5
189.05569	12.1
189.09172	12.2
195.08130	6.2
198.06873	6.7
199.07558	15.2
201.05476	21.1
201.09175	17.5
203.03448	7.1
203.07030	9.9
205.08763	7.1
211.07585	11.4
213.05478	11.4
213.09084	17.2
214.06375	5.4
215.03462	9.5
215.07050	16.6
215.10596	10.6
216.07849	7.4
217.05122	5.9
217.08586	41.3
223.07523	10.6
223.09698	15.8
227.07091	15.5
227.10645	12.9
229.05008	13.6
229.08612	41.8
235.09651	33.5
237.09135	9.7
241.04990	10.0
241.08647	25.2
243.06567	19.4
243.10176	15.3
245.08151	13.1
247.09743	35.4
253.08539	12.9
255.06508	6.9
255.10181	20.8
257.07996	12.9
259.09726	31.5
261.07452	10.1
263.09232	15.0
265.10690	36.6
267.10126	15.4
269.08414	10.4
269.11801	11.1
271.09662	48.1
277.10892	31.4
283.09576	40.6
289.10754	45.2
295.09631	17.5
297.11298	19.1
301.10770	71.0
307.09619	13.3
309.11203	13.2
313.10718	56.3
315.12183	7.4
319.11816	57.9
321.11179	8.5
325.10703	28.5
329.10251	10.8
331.11740	64.3
337.10443	8.7
343.11758	74.0
346.66028	6.0
349.13431	28.5
355.11511	48.5
358.75595	5.9
361.12790	21.4
365.12347	11.2
367.14255	100.0
373.13257	5.7
379.14297	28.5
385.12787	52.7
391.11932	7.2
397.13245	24.9
403.13913	46.0
409.12750	15.3
415.13870	37.7
421.15021	34.2
427.13931	24.5
433.14951	59.7
445.14905	33.8
463.15982	23.2
481.17117	24.3
535.21472	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.4
57.03435	2.3
58.10945	1.3
61.02929	3.2
68.99778	1.9
69.03452	2.1
71.56181	2.8
79.01865	2.2
81.03424	2.4
85.02888	6.1
85.85688	1.3
87.00839	1.4
91.05473	1.6
93.03416	2.1
97.02921	3.2
107.04971	1.6
109.02895	2.3
113.00994	1.3
119.04937	4.5
121.02877	22.7
123.00936	1.8
135.04425	4.6
137.02344	12.5
137.05927	1.5
139.93340	1.3
145.02873	4.2
161.02365	3.5
163.03900	1.7
165.01828	10.4
167.03362	2.3
173.02220	1.9
175.03888	2.0
177.01791	4.7
179.03366	4.0
183.02914	4.0
187.03928	2.0
189.01811	6.3
189.03874	1.3
191.03404	4.0
195.02910	6.6
199.03976	2.0
201.05461	2.0
203.03445	7.9
205.04993	2.7
207.02827	2.9
215.03397	4.8
217.04994	3.1
219.02904	2.5
221.04292	1.6
229.04944	3.5
231.02922	1.6
233.04478	2.4
243.02873	2.5
243.06430	1.7
245.04533	2.8
259.06030	3.2
261.03787	1.7
268.07217	2.2
271.05981	5.1
272.06778	5.1
279.06461	2.4
283.06085	4.8
284.06696	2.1
286.04959	2.1
287.05457	7.7
293.07971	3.6
294.05322	7.2
295.06018	26.1
295.09048	2.8
296.06671	2.9
297.07492	4.1
299.05496	58.3
300.06290	27.0
305.08005	2.2
307.06067	25.5
307.09433	3.1
308.06808	8.7
309.04309	2.5
309.07513	12.2
311.05539	32.7
313.07034	17.0
313.11673	2.2
319.06165	3.1
320.06631	3.6
321.07596	21.8
322.04883	1.6
322.08356	2.4
323.05612	3.3
323.09137	3.6
324.06223	2.0
325.07077	33.3
327.04935	3.5
329.06561	100.0
330.07098	1.5
333.07632	13.1
334.08286	5.0
335.09018	7.8
336.06165	3.5
337.07117	27.0
339.05011	2.8
339.08484	10.1
341.06549	4.7
345.07684	10.6
347.09113	4.4
349.07114	22.4
349.10971	2.7
350.07632	1.6
351.08688	9.4
353.06549	19.7
355.08127	4.1
359.07895	2.9
361.07117	12.6
363.08609	12.1
367.08173	8.2
373.07028	5.7
373.13882	5.2
375.08560	5.1
377.06653	5.0
379.08154	37.5
387.08582	2.4
389.10318	2.1
391.08133	26.8
393.09674	3.0
395.07571	11.4
397.09241	21.7
399.08929	1.9
403.08331	6.3
405.09561	4.8
409.09146	30.6
413.08392	3.9
415.09000	3.6
417.09836	3.7
421.09116	2.7
427.10339	21.9
431.09430	2.0
433.09296	11.1
439.10330	2.2
445.09518	10.1
449.10635	1.6
451.10245	13.3
455.09601	9.7
463.10269	12.6
469.11411	15.3
473.11075	6.8
481.11371	42.6
491.12088	1.7
499.12897	30.1
510.45572	1.5
517.10199	8.7
535.10669	23.2
535.17896	2.3
535.30310	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	535.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	9.8
57.07072	4.6
61.02924	4.2
67.05502	7.8
68.99796	3.4
69.03439	7.9
69.39657	25.3
70.06592	4.0
81.03409	7.3
81.07065	6.2
85.02913	15.3
85.06548	21.9
86.09714	3.3
91.05534	2.8
95.08626	5.2
97.02893	9.9
99.14096	3.4
101.69321	3.3
102.88335	3.2
107.08662	3.9
109.06528	9.7
119.04966	8.4
121.02892	36.3
123.04444	9.6
123.08073	3.3
127.03912	6.7
127.07601	7.1
135.04456	4.7
135.51991	2.9
137.06042	4.9
143.39030	3.1
145.02905	8.6
163.03888	5.9
165.09149	6.9
171.04501	3.8
175.07550	4.4
177.05455	7.2
179.03426	3.4
189.01872	8.6
189.05609	3.7
189.09210	4.9
191.03474	3.6
193.08632	40.0
195.02924	4.2
199.03957	4.0
203.03418	14.4
207.02937	6.4
209.78780	3.8
211.03970	3.2
211.07843	6.5
211.09698	100.0
215.03398	7.6
215.06755	3.1
217.04994	9.2
217.08641	3.3
219.03018	3.5
221.04442	4.2
231.02969	3.1
233.04568	4.2
235.09755	9.0
243.03017	4.7
253.10837	8.4
267.25284	3.1
277.10812	8.9
280.07651	3.1
281.04114	3.9
281.07770	2.9
283.06088	7.4
287.05527	32.0
292.07138	3.4
294.05225	12.8
295.06055	48.8
296.06772	5.4
297.07510	5.4
305.08273	4.7
306.08847	3.3
306.22464	4.1
307.06009	33.2
308.06897	13.3
309.07785	18.0
313.11865	3.2
320.06796	5.2
321.07581	34.3
322.08521	3.7
323.08960	5.4
325.07077	43.3
333.07516	24.7
334.08319	5.2
335.09167	11.6
337.07071	29.5
337.13062	5.3
345.07617	12.0
347.09442	5.1
348.06281	4.1
349.07022	32.2
351.08649	23.7
355.08640	5.0
359.09018	4.8
361.07205	22.8
362.07770	4.9
363.08719	18.6
367.08087	10.7
373.07065	14.9
373.14087	10.1
375.08527	12.2
379.08215	51.7
387.08630	7.8
391.08191	46.9
397.09164	36.9
399.08469	4.6
403.08093	10.6
405.10110	4.7
409.09222	48.9
415.08261	7.7
417.09647	8.5
421.08963	5.3
427.10306	30.4
433.09344	25.4
445.09973	15.6
451.10349	27.2
463.10696	15.7
469.11362	49.8
481.11411	70.4
499.12381	50.7
500.12888	4.6
517.13342	13.0
535.14728	10.9
535.30847	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	535.1452
Annotation	LLP3
Peak:m/z	Relative Intensity
55.01876	9.5
60.25095	1.5
61.02935	2.3
65.03931	2.1
69.03426	2.8
69.07053	2.0
70.06586	4.2
71.06605	3.2
71.06949	2.3
81.03403	3.0
84.08131	2.6
85.02885	5.4
86.09702	3.4
90.30267	1.6
91.05462	2.9
93.03399	1.5
93.06984	1.6
97.02883	2.7
105.07057	3.4
107.04948	4.3
109.02872	1.9
111.04453	1.5
115.09372	1.5
119.04947	9.1
119.08603	3.5
120.04486	1.7
121.02878	42.6
127.03856	2.0
131.04953	2.0
133.02748	2.3
133.10146	2.6
135.04501	3.3
137.05992	5.6
145.02831	6.8
147.04410	2.3
151.03908	2.2
159.04396	2.4
161.05814	1.9
163.03931	2.2
171.04414	3.4
175.03891	2.1
175.14861	7.9
177.01855	5.1
177.05473	4.6
179.03328	2.6
180.78523	1.8
187.03963	4.8
187.18933	1.5
189.01863	8.2
191.03403	5.0
195.02899	7.0
197.06017	2.6
199.03963	2.5
201.01863	2.1
201.05528	2.6
202.02533	2.0
203.03409	14.7
205.04988	2.8
207.02921	7.6
211.13127	1.9
213.05508	2.6
215.03389	10.6
215.08069	1.9
217.04967	5.8
219.03064	3.7
221.04504	5.2
225.10220	2.6
227.03398	4.2
229.04953	2.6
231.02998	3.1
233.04449	3.8
239.11899	2.9
241.04982	2.8
243.02962	4.4
245.04443	2.7
250.08185	1.8
253.04980	2.1
257.04385	2.3
259.06171	2.3
261.04111	1.9
267.06467	2.1
267.11276	2.5
268.07297	4.5
271.05957	2.2
273.03873	2.2
277.08337	2.1
279.06476	4.2
281.04251	2.5
283.06049	6.7
284.13065	3.5
287.05478	4.6
291.06516	2.2
292.07172	3.5
293.08084	3.3
294.05225	18.4
295.06049	62.1
296.06641	5.0
297.07626	7.5
299.05634	11.3
300.06210	2.0
305.08118	3.3
306.08951	3.0
307.02603	3.2
307.06003	48.4
307.09494	3.4
308.06833	15.4
309.07547	17.8
311.05630	2.9
313.07166	5.0
313.11792	14.9
317.08026	4.7
319.05960	5.8
320.06805	10.6
321.07596	46.6
322.04794	2.8
322.08243	4.2
323.05652	2.9
323.09171	9.3
325.07074	44.1
326.07541	1.9
329.06415	9.7
331.06018	2.8
331.09744	2.2
333.07599	30.9
334.08411	6.1
335.05588	2.8
335.09140	16.8
336.06226	5.1
337.07086	40.3
337.10956	1.6
338.07108	2.0
339.08548	6.1
345.07663	13.5
347.09122	9.2
348.06186	2.8
349.03101	2.9
349.07111	47.3
351.08658	19.5
353.06549	3.9
355.08194	4.2
359.08969	5.6
361.07089	27.6
361.11188	3.4
363.08685	29.4
365.06290	2.8
367.08157	11.6
373.07101	15.3
373.13992	35.4
375.08765	13.0
377.10574	3.6
379.08160	70.6
380.08984	2.1
383.07751	2.3
385.09125	2.4
387.08670	8.3
389.10135	5.6
391.08127	47.9
393.09790	5.5
397.09186	39.1
399.08582	4.8
403.08093	8.7
405.09863	8.8
409.09204	49.9
413.08707	2.7
415.08133	12.0
417.09799	9.2
421.09109	6.3
427.10361	33.4
433.09280	29.6
435.20361	1.7
445.09662	23.8
451.10229	25.6
463.10330	27.2
469.11270	34.8
481.11334	100.0
482.11676	2.8
499.12415	72.7
500.13266	2.4
503.20981	4.0
517.13617	24.1
535.10950	4.1
535.24292	10.0
535.30450	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	534.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47040	4.1
55.05507	20.2
57.07076	13.0
67.05513	76.2
69.03438	5.7
69.07081	23.5
71.08633	10.4
71.55136	8.3
73.19746	5.0
79.05493	20.7
81.07056	100.0
83.08627	21.3
91.05485	14.8
93.07058	26.2
95.04971	5.0
95.08612	66.1
97.06561	6.0
97.10184	15.8
99.08071	5.9
104.10733	9.2
105.07051	11.8
107.08599	16.8
109.10155	36.8
119.08621	13.3
121.10163	18.4
122.15346	4.6
123.11719	19.8
130.60065	5.9
133.10141	11.9
135.11702	11.8
137.13222	7.8
147.11711	13.6
149.02365	9.8
149.13277	9.7
161.13243	12.4
163.14806	11.3
165.12732	6.6
165.16434	12.9
167.03432	8.7
175.14827	14.2
179.18053	8.6
184.07394	6.0
185.41646	4.6
189.16360	6.5
245.22713	62.5
263.23709	77.7
265.02530	4.6
314.09167	4.9
319.26239	8.3
337.27423	48.3
339.44049	5.6
375.28766	5.7
393.29929	19.4
472.57092	5.3
496.92743	4.6
561.21338	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	534.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
53.43370	0.5
55.05268	0.6
55.05519	8.6
56.05042	5.7
57.07084	4.7
60.04535	4.0
64.47032	0.5
65.03938	1.2
65.91421	0.6
67.05512	16.2
68.05017	1.7
69.06728	0.8
69.07076	9.3
70.06572	2.1
71.08623	1.7
71.55012	0.9
74.71653	0.5
79.05071	0.9
79.05500	13.2
80.05022	3.7
81.05778	1.4
81.07065	13.8
82.06596	7.3
83.08627	5.7
85.10154	0.7
91.05495	10.8
93.05791	0.8
93.07054	11.0
94.06577	20.2
95.04953	1.8
95.07362	10.9
95.08608	9.9
96.07631	0.6
96.08155	5.6
97.06505	1.2
97.10171	3.0
105.04478	0.8
105.07032	6.5
107.08594	6.0
107.52328	0.6
108.08157	3.3
109.10163	3.8
109.83562	0.6
111.11703	0.7
119.08587	6.4
119.40551	0.7
121.10155	7.3
122.09673	2.8
123.11691	1.9
133.10133	3.0
134.09618	0.7
135.10614	0.6
135.11687	2.8
136.11237	1.1
137.13292	0.8
147.11678	2.0
149.13242	1.2
149.86185	0.6
151.14897	1.1
161.13303	1.2
163.14819	0.8
193.19476	0.7
219.21204	0.8
233.22690	4.7
245.22630	3.9
250.25331	10.5
254.24957	0.8
262.25323	100.0
263.23541	0.9
272.25867	4.6
280.26392	11.6
338.30640	0.9
504.47729	2.7
516.47650	9.4
534.42480	0.7
534.49023	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	535.1088
Annotation	Kaempferol 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
56.59608	0.1
67.01862	0.5
67.51746	0.1
68.99795	0.4
69.03417	0.1
69.07050	0.2
70.06591	0.2
71.56007	0.2
74.90086	0.1
76.71428	0.1
81.03439	0.1
85.02881	0.3
86.09724	0.3
89.03933	0.2
97.02843	0.1
107.04974	0.2
109.02943	0.1
117.03371	0.2
119.04945	0.1
129.01906	0.2
135.04431	1.7
136.01187	0.1
137.02333	0.4
137.05991	0.2
140.04369	0.1
145.02879	0.2
147.04410	0.2
153.01843	4.6
161.02377	0.5
171.02927	0.5
174.01260	0.1
177.05528	0.2
179.03386	0.3
201.05629	0.1
241.04994	0.6
263.05444	0.1
269.04456	0.4
287.05521	100.0
288.05798	1.1
296.06400	0.1
297.06656	0.1
343.77765	0.1
358.32486	0.1
385.08096	0.1
439.09451	0.1
449.10806	1.2
457.20236	0.1
517.10303	0.2
535.10962	2.1
535.19452	0.2
535.28333	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	534.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.9
55.21442	0.9
57.03442	8.0
57.07079	2.6
61.66801	1.0
63.54490	1.0
66.78897	0.9
67.05508	14.7
69.07079	11.3
70.02105	1.1
71.08637	8.5
79.05495	5.5
81.07066	22.8
83.08638	5.3
85.06552	1.2
91.05486	3.2
93.07048	10.2
95.04990	4.0
95.08619	15.9
97.06552	2.9
97.10148	2.2
98.21480	2.9
98.98450	2.1
99.08097	5.7
104.10757	1.6
105.07048	6.0
107.08611	8.8
109.06530	18.6
109.10162	8.2
111.08081	1.2
117.07069	1.0
119.08598	5.8
121.10178	5.3
123.08079	3.0
123.11717	2.9
131.08577	1.6
133.10159	3.5
135.11687	3.8
135.49854	1.2
137.09659	1.1
137.13271	1.3
145.10120	2.3
147.11679	2.6
149.05338	1.2
149.13190	2.5
153.12714	1.3
161.13252	2.3
163.14838	1.6
165.12761	30.3
167.14365	1.0
175.89580	1.0
179.14311	1.6
184.07326	1.1
187.01189	1.1
187.14769	1.3
221.19019	3.9
239.80968	1.0
245.22615	3.0
259.20258	1.2
263.20129	4.7
263.23682	4.8
293.21146	3.1
319.26324	21.6
337.27414	11.4
349.27457	11.1
356.79321	1.2
357.27884	3.6
362.30316	1.3
375.28940	14.0
393.30029	100.0
394.30292	2.3
408.03101	1.1
484.53046	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	16.1
57.07074	10.5
60.08136	4.4
63.76163	4.7
67.05512	88.3
67.05869	6.0
69.07073	31.7
70.22853	8.5
70.23248	10.1
71.08633	5.7
79.05505	27.9
81.07068	91.7
83.08615	26.5
85.02898	5.9
86.09721	8.9
91.05489	17.9
93.07038	24.8
95.08613	100.0
97.06554	9.4
97.10184	10.3
104.10732	34.4
105.07040	11.6
107.08585	18.6
109.10177	37.8
111.11735	5.1
119.08611	16.7
121.10175	16.9
123.11714	19.0
133.10095	20.5
135.11743	9.5
137.13257	8.0
147.11723	13.0
147.43538	4.8
149.13228	8.7
151.14812	5.8
155.14349	7.9
161.13271	17.6
163.14822	10.4
165.16415	9.0
165.91537	4.5
175.14886	6.6
184.07349	19.1
192.66345	4.5
211.86496	4.4
245.22670	61.8
263.23715	77.3
337.27374	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	533.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17560	0.8
53.03935	3.1
55.01863	2.7
55.05497	1.9
57.03438	6.7
59.04979	1.1
61.02930	7.0
63.42183	0.9
65.03912	1.2
67.05499	2.2
69.03432	26.1
69.07076	6.6
69.94106	1.2
69.94450	3.4
70.53130	0.8
71.01339	1.3
71.04981	3.6
72.38424	0.8
73.02906	3.1
79.05492	4.1
80.92154	0.9
81.03419	10.8
81.07059	3.9
83.04979	1.8
83.08611	2.0
85.02909	100.0
87.04448	3.1
91.03960	4.0
91.05469	3.9
93.07058	4.1
95.04982	10.7
95.08625	4.7
95.36131	0.8
97.02897	29.1
97.03519	1.7
97.06540	4.0
99.04475	5.4
99.32489	0.8
103.03922	1.1
105.07027	3.8
107.04935	1.9
107.08599	5.3
109.02887	10.8
109.06522	5.7
109.10169	1.4
111.08069	1.1
115.03921	1.2
119.04903	2.1
119.08585	4.2
121.06504	2.9
121.10130	3.2
122.07284	4.0
123.04418	3.6
123.08073	17.0
123.11726	2.2
127.03920	23.6
129.06671	0.8
131.08517	1.7
133.10138	6.3
135.08063	27.3
135.11678	4.2
137.05986	1.8
137.09634	1.8
139.03947	1.0
145.04965	31.8
145.10219	1.0
147.04407	3.5
147.11720	4.1
149.09654	2.0
149.13225	0.9
151.03929	4.5
161.05963	1.1
161.09627	1.2
163.03922	1.1
163.06024	5.1
163.14838	1.8
165.05525	1.3
165.12759	30.3
167.07086	1.0
175.04010	0.9
175.14890	5.1
176.11925	2.5
189.07629	1.6
191.14316	71.5
193.06580	0.8
193.14230	1.2
193.15904	18.2
193.17641	1.2
207.13818	2.2
209.15369	18.3
231.06566	0.9
277.39810	0.9
285.07556	2.0
307.14874	0.8
309.16867	1.6
335.18890	1.0
353.19803	1.7
371.20609	3.1
475.30182	0.9
533.25867	31.8
534.26373	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1298
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
69.32342	1.5
74.49780	0.1
85.02901	0.3
91.05517	0.2
93.44608	0.1
119.23479	0.2
131.08655	0.2
134.03650	2.6
137.02356	5.6
141.07025	0.5
154.02551	0.2
167.07057	0.2
167.48076	0.2
168.05775	0.2
169.06540	0.5
175.03906	0.3
181.06566	0.2
186.06734	0.8
197.05997	2.2
213.05473	3.3
214.06242	2.9
224.04567	0.2
225.05492	6.9
229.08685	1.1
241.05162	0.2
242.05736	1.4
253.04974	11.9
254.05334	0.2
257.08215	0.3
267.06534	0.2
269.04431	1.6
270.05255	18.8
271.05481	0.2
285.07599	100.0
286.07922	1.7
533.13660	0.5
541.99835	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31785	0.6
53.03944	0.8
55.01864	0.7
57.03457	1.3
61.02930	3.6
63.41810	0.6
65.03918	0.8
67.05476	0.7
68.99787	3.1
69.03415	1.6
69.59312	3.1
69.59718	1.3
73.02919	1.0
79.05493	1.1
81.03423	1.8
81.07072	1.4
85.02912	8.9
87.00831	3.7
90.04698	0.8
90.72963	0.6
91.05490	1.4
92.99796	0.9
93.07009	0.9
95.05000	0.9
95.08615	0.8
97.02906	0.8
98.21481	1.1
98.97575	0.8
103.03946	2.1
105.01833	0.9
105.03383	1.3
107.08593	0.7
109.02861	1.2
109.10163	0.8
110.46639	0.6
111.03580	0.6
119.04971	0.9
121.02882	0.7
121.06512	0.6
126.68104	0.6
127.03902	0.8
129.01817	3.4
131.04967	1.0
132.05705	2.2
133.06522	1.7
135.04398	2.9
137.06047	0.7
147.04393	1.4
149.02353	1.3
149.06053	1.1
149.07175	0.7
153.01883	0.7
161.07150	1.6
163.03949	1.3
165.01765	3.1
165.07022	0.8
166.02599	1.2
167.03383	2.0
173.02287	1.1
175.03889	0.8
176.01108	1.2
177.05397	0.8
182.07269	0.6
183.02950	0.7
184.03752	1.1
185.06108	0.6
187.03926	1.3
189.03923	1.1
194.02119	0.9
197.09689	1.6
208.03687	0.7
210.06772	1.0
221.05914	0.8
224.08366	0.7
225.09128	1.6
237.05515	1.6
238.06306	1.3
240.25771	0.6
243.06516	2.0
251.07246	0.8
253.08557	5.6
254.05740	2.9
255.06615	1.2
265.04993	0.6
266.05762	2.5
267.06360	1.0
267.10336	1.4
269.04590	1.1
269.08087	1.5
273.63483	0.8
277.08640	0.8
279.06494	1.9
280.07397	1.8
281.08118	12.9
281.11325	1.0
282.05206	3.3
283.06128	3.5
284.06842	4.4
285.07581	6.1
287.05612	0.8
291.06577	0.7
291.10175	1.6
293.04761	1.3
293.08051	1.7
294.05206	1.1
294.08768	1.0
295.06421	1.0
295.09683	5.7
297.07581	50.4
298.08282	6.1
299.09027	0.7
304.07397	1.2
305.08231	0.9
306.05252	0.8
307.06149	2.0
308.06747	2.2
309.07645	21.6
309.11163	3.2
310.07800	0.7
311.05435	1.9
311.09265	1.9
312.06244	1.2
319.09656	7.4
321.07660	5.2
322.08319	3.2
323.05817	0.9
323.09119	23.3
323.12958	1.4
325.07239	1.6
327.08643	100.0
328.08981	2.4
332.06616	1.3
333.07443	1.5
335.09195	0.8
337.10730	12.9
347.09171	11.4
349.06964	1.3
351.08655	42.5
352.08954	0.9
363.08658	1.0
365.10159	3.0
375.08646	16.4
381.09863	0.8
393.09680	58.1
394.09882	2.2
411.10834	3.1
429.11829	2.0
461.08463	0.9
479.09546	1.8
497.10782	10.8
515.12128	3.7
521.52643	0.6
533.26514	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1299
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
56.96563	0.3
65.29035	0.2
67.05495	0.3
68.12876	0.2
68.99796	0.3
69.03434	0.4
69.07043	0.2
70.07111	0.8
79.05484	0.3
79.33653	0.2
81.03416	0.5
81.07047	0.4
85.02912	0.6
87.15137	0.2
91.05487	0.8
93.07066	0.3
95.04948	0.2
95.08612	0.4
96.21512	0.2
97.02894	0.3
98.97500	0.2
105.07021	0.5
107.04967	0.3
109.02883	0.4
109.10130	0.2
111.08138	0.2
118.04188	1.1
119.04877	0.3
121.02913	0.3
123.04443	2.1
124.01547	0.7
127.03886	0.4
131.08455	0.2
133.06487	0.5
135.04381	0.2
137.02408	0.2
139.03899	0.3
147.04471	0.4
148.47551	0.2
149.02361	2.7
152.01051	2.8
153.01852	1.7
158.03619	0.6
159.02808	0.3
163.03978	0.3
164.38191	0.2
170.02129	2.8
173.05962	0.2
179.03404	0.9
183.08075	0.2
186.06679	0.2
197.06012	0.7
201.05647	0.2
213.05518	1.3
214.06264	0.4
220.72290	0.2
226.06270	0.2
229.08614	4.0
241.04982	0.6
242.05740	3.2
252.04176	0.5
253.04980	2.7
257.08176	0.3
269.04486	2.9
269.10672	0.2
270.05255	6.0
285.07599	100.0
286.07895	1.6
287.05536	6.6
532.39594	0.2
533.13171	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.5
55.01858	0.9
57.03427	0.9
61.02913	1.4
62.40539	0.3
67.05501	0.6
68.99780	1.7
69.03402	1.3
69.07061	0.5
70.00672	1.6
71.04973	0.5
73.02911	0.6
77.88312	0.4
79.01854	3.6
79.05481	0.5
81.03420	1.9
81.07072	0.7
85.02507	0.4
85.02909	4.3
87.00805	1.6
91.05468	0.6
93.03387	0.4
95.04990	0.4
97.02877	0.9
98.97562	0.4
103.03937	3.3
103.05447	0.4
105.01841	0.9
105.06997	0.7
106.81345	0.4
107.04961	0.6
107.08583	0.5
109.02863	1.5
118.04175	0.5
121.02882	0.4
121.06494	0.9
123.04446	0.5
123.07958	0.3
127.03876	0.7
129.01851	1.4
132.05739	0.8
133.06499	2.1
135.04417	1.9
141.01811	0.6
145.02829	0.5
145.04915	0.5
147.02887	1.0
147.04402	1.0
149.02330	0.5
149.06036	0.5
153.01805	0.5
159.04436	0.5
161.05969	0.7
162.03050	0.4
163.03889	1.0
165.01840	4.5
165.05453	0.4
166.02625	0.4
167.03386	0.5
171.02983	0.5
173.02310	1.2
176.01012	0.8
177.05461	0.4
183.02895	1.6
187.03876	0.9
189.01901	0.8
189.03914	0.9
190.02621	0.5
191.03374	0.4
191.14311	0.6
194.02136	0.6
195.02913	0.5
197.09529	0.4
199.07492	0.6
201.05489	0.8
211.07494	0.6
222.01567	0.4
225.09186	0.7
226.06183	0.5
227.07076	1.1
237.05406	0.6
238.06268	0.7
239.07030	1.0
241.08546	2.0
243.02916	0.7
251.07094	0.7
252.07727	0.4
253.08557	2.2
254.05638	2.0
255.06482	2.9
256.07050	0.9
257.08139	2.8
261.03955	0.6
265.04987	0.9
266.05807	1.2
267.06516	7.6
267.09470	0.6
268.07178	0.5
269.04333	0.6
269.08096	1.8
270.08887	3.5
271.09653	1.1
273.07504	1.2
279.06616	0.7
280.07343	0.7
281.07999	2.1
282.05157	2.7
283.06006	5.0
284.06818	2.6
285.07626	5.6
291.06461	0.7
293.07990	0.6
294.05280	1.1
295.05991	0.6
295.09375	0.6
296.06976	0.6
297.07590	52.9
298.08359	10.4
299.09076	0.7
305.07941	0.6
307.05991	1.1
308.06729	0.7
309.07574	35.5
310.08032	0.9
311.05551	0.9
311.09097	7.3
312.06216	0.8
313.06995	0.7
319.09689	1.1
321.07623	2.9
322.08371	2.0
323.05533	0.8
323.09000	4.4
325.06995	2.1
327.08633	100.0
328.08972	1.7
333.07590	0.5
335.08981	0.6
337.07034	1.2
337.10727	5.6
339.08755	3.2
340.33640	0.4
341.09991	0.8
347.09067	2.8
349.06900	0.6
351.08636	19.8
357.09625	1.3
365.10281	2.0
369.09631	0.5
370.92944	0.5
375.08646	4.2
377.10199	0.7
381.09680	1.5
393.09695	9.1
411.10812	3.5
429.11777	1.5
447.12869	1.3
453.11826	3.7
471.12772	1.7
479.09705	0.8
489.13971	0.5
497.10797	6.7
515.05054	0.4
515.11975	7.1
533.13062	6.2
533.25842	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31404	0.7
56.96575	1.3
67.05511	1.0
69.03441	3.8
70.06580	3.7
71.15792	1.5
72.08161	1.0
78.44080	0.6
81.03410	1.8
82.22246	0.7
84.04514	3.2
84.08143	1.9
85.02912	9.9
86.09701	2.1
91.03963	0.7
91.05495	4.2
93.07050	4.7
95.01336	5.5
95.04979	1.5
97.02897	3.2
98.97612	1.1
99.04487	0.7
107.04944	1.1
109.02904	1.9
109.06503	0.9
110.06051	1.3
111.08101	4.0
111.96333	0.7
112.03976	23.3
112.07615	1.4
117.07059	0.7
120.08124	1.2
121.06499	2.2
122.06049	1.7
123.04406	0.7
124.07648	0.9
127.03936	1.6
134.05954	0.6
134.09654	3.8
135.08052	2.5
136.07593	5.9
137.05972	3.2
138.05510	1.1
140.07071	3.8
143.41945	0.7
145.04941	1.2
147.04388	1.9
148.07503	0.9
150.09088	0.9
152.10719	2.6
154.08629	2.1
160.07590	1.0
162.05504	2.8
162.09151	22.7
163.07611	1.0
164.07014	0.7
166.05008	2.0
178.08661	1.1
180.06635	0.9
180.10211	19.4
181.06030	1.3
189.10338	1.0
190.06924	0.9
190.08650	17.9
191.09436	1.6
207.07703	0.9
207.11308	4.1
208.09709	100.0
209.10164	2.2
247.10680	1.1
273.12372	2.4
275.13904	1.3
277.11893	0.8
291.13504	2.1
295.12952	9.4
301.11835	10.5
302.10004	0.8
309.02985	0.8
319.12912	66.0
320.13290	0.8
337.13940	10.2
351.15482	5.7
365.05630	0.9
369.16574	25.8
441.54816	0.8
445.15848	0.8
463.17108	1.3
481.18109	3.8
499.18970	2.4
531.23279	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	531.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	3.8
66.39376	0.6
70.06589	1.8
71.10314	1.6
86.09692	2.7
89.09190	0.8
109.59330	0.6
132.92325	0.7
137.06038	0.8
147.04343	0.7
160.27332	0.6
167.22966	0.7
193.06439	2.1
197.01215	0.8
206.99646	1.1
213.00661	1.1
217.83066	0.6
218.96091	0.7
221.01384	0.8
225.00601	1.6
232.97726	0.7
236.97095	1.8
237.00710	1.1
254.98193	4.8
255.01825	1.1
272.99213	1.8
289.03864	0.9
301.03857	1.1
309.00452	1.7
311.02289	0.8
313.03787	1.7
317.03351	0.8
321.00720	1.1
326.00986	3.0
327.01730	6.4
329.03317	2.6
337.00452	1.9
339.01743	2.3
339.16357	0.8
341.03412	2.1
343.04843	0.8
344.01901	3.2
345.02847	23.2
351.01642	9.5
351.05295	0.9
354.00528	6.3
355.01184	3.2
355.05014	1.5
357.02802	14.9
358.03537	1.4
359.04514	3.3
363.03842	4.1
369.02829	26.8
371.04556	2.5
372.01508	5.4
372.97638	1.6
373.02328	32.1
375.03894	3.9
376.04309	0.9
381.02875	2.6
385.02332	5.6
387.03906	100.0
388.04230	2.3
391.03381	16.1
392.04352	1.6
395.04385	0.9
396.04184	0.7
397.02213	1.3
399.03790	6.0
401.05655	0.7
403.03452	1.6
405.05014	27.8
406.05554	0.8
410.05475	5.0
411.03940	9.8
417.04926	11.0
422.05273	0.8
423.03757	2.0
428.06616	0.8
428.99719	0.5
429.04996	14.5
435.06335	3.3
441.04822	1.4
452.06894	1.8
453.05051	2.3
459.00024	0.8
459.05942	3.8
471.06021	33.7
489.07092	60.9
490.07385	2.0
507.08224	3.0
512.08704	4.8
531.07971	2.2
531.20630	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
55.05505	0.4
56.96561	0.4
57.03430	0.2
67.05495	0.7
67.05833	0.2
68.99754	0.2
69.03420	0.6
69.07066	0.5
71.55362	0.3
72.08129	0.3
73.61968	0.2
79.05508	0.3
81.03410	0.6
81.07063	1.3
85.02887	0.8
87.04455	0.2
89.03957	0.4
91.05462	0.6
93.07048	0.5
95.04990	0.4
95.08642	0.5
97.02902	0.4
98.97598	0.5
99.04441	0.3
103.05482	0.3
105.07026	0.9
107.08595	0.7
109.02905	0.5
109.10172	0.4
113.24826	0.2
115.03919	0.2
115.05408	0.4
116.98622	0.3
117.07060	0.2
119.04937	0.3
119.08595	0.7
121.06528	0.2
121.10127	0.3
121.22688	0.2
122.06010	0.2
127.03937	0.4
129.06999	0.6
131.08574	0.3
133.02864	0.2
133.10149	0.4
135.11688	0.2
137.02287	0.2
137.05969	0.4
141.07024	1.6
147.04410	0.3
147.11679	0.3
155.04935	0.3
157.06508	0.4
158.45338	0.2
159.11742	0.2
161.09694	0.3
163.03911	0.2
163.11224	0.2
169.06487	2.1
177.05476	0.3
181.06451	0.8
183.04434	1.7
197.06017	4.0
224.04800	0.4
225.05484	20.9
226.05795	0.2
227.07063	1.3
253.04968	18.8
255.06479	0.4
283.06027	100.0
284.06369	1.8
285.07602	0.2
289.14258	0.4
339.12006	0.3
340.12213	0.7
407.42221	0.2
531.11255	0.4
531.24347	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04356	1.5
52.24273	1.4
53.03942	5.0
55.01867	2.7
55.05516	19.9
57.03447	15.9
59.05006	1.6
59.45052	1.3
65.03931	2.1
67.05177	1.8
67.05512	29.0
69.03414	5.9
69.07083	8.2
70.59526	4.0
71.04974	5.4
77.00296	1.6
79.05077	1.6
79.05505	30.4
79.05959	1.7
81.03428	71.0
81.03920	3.4
81.07065	33.6
83.04985	17.2
83.08630	26.1
85.02434	2.6
85.02911	31.3
85.06528	1.9
90.19318	1.4
91.05491	42.8
93.07047	19.1
95.04977	29.7
95.08611	12.7
97.02879	5.2
97.06517	3.8
97.10153	5.2
105.07037	27.1
107.04975	7.5
107.08598	9.2
109.06529	3.8
109.10166	2.8
111.04484	1.5
111.08079	13.4
111.63753	1.3
113.06001	2.2
115.05441	1.7
117.06990	3.0
119.08595	25.0
121.10178	9.8
123.08014	2.3
123.11713	2.1
125.09641	1.5
129.07027	14.4
131.08592	14.9
133.06516	3.5
133.10158	14.0
137.09612	2.9
142.07835	2.7
147.08049	4.1
147.11691	16.6
149.02367	2.9
149.09621	7.1
157.10146	18.5
159.11595	1.4
165.12782	3.2
167.03380	4.2
175.11198	15.0
191.97514	1.6
193.12257	67.5
211.13318	100.0
267.15948	27.3
285.17001	81.8
332.28091	1.9
414.18207	1.5
459.27448	8.1
477.28568	11.9
495.29593	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	530.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	14.7
57.03431	11.8
59.33103	2.9
63.78325	3.1
67.05511	36.2
67.33207	3.0
69.07084	17.6
70.84169	8.0
71.05022	3.9
79.05501	20.6
81.07065	85.0
83.04993	6.4
83.08616	10.4
85.06541	5.4
91.05487	31.7
93.07032	12.7
95.04991	6.4
95.08609	24.5
97.06510	7.6
99.08141	4.2
101.06020	3.9
105.07053	34.5
107.08611	15.9
109.06553	6.2
119.08582	32.0
121.10146	25.0
123.08109	5.4
123.11720	27.7
125.09639	3.2
131.08551	3.1
147.11713	64.2
147.12830	6.7
165.12787	35.1
175.11221	4.8
183.13982	3.4
220.61426	3.6
229.14371	12.2
267.15924	79.9
267.18634	6.4
285.16995	100.0
310.28424	3.2
366.23178	5.0
379.10324	3.0
458.40665	3.7
462.30417	4.2
477.28369	16.1
495.29547	46.3
530.28156	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	530.333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.9
55.01862	6.0
55.05517	37.7
57.03438	13.5
57.07053	2.1
59.05009	3.7
65.03956	2.1
67.05512	100.0
67.05873	5.3
68.05838	2.9
69.03416	3.9
69.07081	22.9
70.71392	2.3
70.71728	4.8
71.04989	4.8
73.02921	6.6
79.05501	59.3
80.05817	3.1
81.03416	13.8
81.07066	78.7
82.07413	2.3
83.04985	9.3
83.08618	23.1
85.02914	11.7
85.06565	4.8
87.04473	6.8
91.05482	31.6
93.07050	47.1
94.07365	2.5
95.04976	8.8
95.08623	26.2
96.08959	3.1
97.06522	9.5
97.10195	15.7
105.07036	19.2
107.08602	32.4
107.43707	2.3
109.10165	44.5
111.08098	8.1
117.07024	11.7
119.08591	16.0
119.76811	2.1
121.06505	2.5
121.10161	17.1
123.08073	2.3
123.11736	4.3
125.09649	18.4
125.60106	2.0
129.05486	4.0
131.08600	13.3
132.08963	2.6
133.10150	22.1
134.10558	2.9
135.11679	12.6
143.08514	3.6
143.10767	3.4
145.10132	10.7
147.07991	2.2
147.11723	4.8
149.13268	14.6
151.11137	3.0
153.12787	3.2
155.10645	2.4
159.11740	8.9
163.11179	9.2
167.03362	3.4
173.11786	11.9
173.13083	2.6
177.12746	5.1
195.13788	21.7
199.13322	10.6
209.11726	5.0
212.15205	2.1
227.12746	7.4
229.14384	40.4
267.15823	2.5
269.17508	41.5
301.16504	12.0
411.27289	2.6
412.78384	2.9
423.27512	13.5
471.51746	2.3
495.29764	11.6
513.30444	11.4
530.24139	2.4
530.39319	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	530.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14001	1.3
55.77462	1.2
57.57222	1.4
57.88267	1.3
65.03944	1.6
66.35027	1.6
69.07053	2.6
70.06582	1.6
70.67882	1.4
71.55086	1.8
72.08160	1.7
72.76241	1.2
77.65446	1.1
85.02893	2.4
86.09702	4.1
91.05515	1.6
91.36698	1.3
93.03416	1.3
107.05005	1.3
110.07153	1.4
111.08017	1.4
119.04935	2.5
120.08118	2.5
121.02886	11.1
122.03182	3.8
122.06036	1.6
137.06007	1.8
138.05486	6.5
146.06006	11.3
161.16248	1.4
166.05043	6.4
174.05469	5.4
175.08592	1.9
177.01935	1.5
195.02965	1.5
201.05354	1.4
204.03839	2.5
206.08110	2.7
208.60986	1.3
211.08730	2.2
220.07776	1.9
221.04393	1.8
223.08701	2.3
224.09322	1.4
225.05220	1.2
225.10315	1.5
235.08679	1.9
236.09293	1.6
237.08034	2.6
237.10245	30.5
238.08763	1.5
239.08144	3.3
239.11731	3.0
241.09721	1.7
248.09341	1.7
249.10237	2.6
250.08577	4.5
251.08173	5.6
253.09789	3.6
255.11356	1.6
265.09726	46.6
266.10580	2.8
267.08105	1.9
267.11218	9.4
277.20853	1.5
281.09167	3.9
283.10715	1.8
293.09244	32.9
294.10037	3.3
295.06100	9.5
295.10760	7.6
296.06339	16.8
299.10361	4.0
307.06003	4.7
308.06418	12.7
309.07242	4.2
310.07867	4.0
311.10300	39.6
312.11130	3.2
313.11804	9.0
318.08392	1.5
320.06668	1.8
321.08670	18.4
322.07986	9.4
323.08603	3.1
325.06998	3.4
326.07446	8.1
327.13403	1.7
333.07144	2.4
334.07962	5.5
335.09164	2.7
336.09470	5.0
337.06693	2.0
338.07349	3.9
339.09763	76.1
340.08118	1.4
340.10657	2.1
346.08005	2.5
347.08936	1.7
348.09259	4.8
349.07077	3.5
350.07416	9.2
353.11386	13.2
361.06851	1.5
362.07224	8.6
364.08954	2.5
368.08215	2.3
371.12415	100.0
372.11105	1.9
374.07327	3.6
376.09070	3.8
379.08194	4.1
380.08438	15.0
388.08563	1.6
390.10669	1.8
391.07986	2.6
392.08441	8.2
397.09427	2.6
398.09555	16.0
403.08850	1.7
404.08386	7.8
410.09573	2.9
416.09177	1.5
418.10321	1.7
422.09415	4.3
428.09924	2.7
434.09711	3.5
440.10513	5.2
446.09732	7.0
452.10693	6.1
452.17786	6.8
458.09457	3.6
464.10547	4.5
470.11874	1.9
476.10443	7.3
480.17682	40.2
482.11853	6.3
494.11652	16.2
512.12451	19.7
512.20178	6.8
530.13678	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.4
53.03944	5.9
55.01878	3.1
55.05515	22.6
57.03426	5.4
57.07063	4.4
59.82532	1.2
65.03938	5.5
67.05508	62.8
69.03442	1.5
69.07066	23.6
69.84742	5.5
71.04998	3.1
73.60540	1.4
79.05498	53.1
81.03421	2.6
81.07061	72.9
82.22498	1.4
83.04987	3.7
83.08617	11.9
85.06534	3.1
87.04476	15.0
90.42467	1.4
91.05486	37.1
92.05827	1.4
93.07047	55.1
95.04977	6.1
95.08612	39.1
97.06536	5.9
97.10167	4.1
99.08096	2.0
105.07040	21.9
105.07694	2.1
107.08598	30.3
109.06520	2.3
109.10161	13.6
111.08119	2.9
117.07017	13.5
119.08588	20.8
121.10155	20.9
123.11677	6.5
125.09688	2.2
128.06281	1.4
129.07019	5.0
131.01295	1.2
131.08585	20.7
132.27361	1.5
133.10132	16.9
135.11696	13.2
139.11172	1.7
140.35825	1.2
141.07024	2.5
142.07764	1.7
143.08618	6.1
145.10149	16.4
147.11690	9.7
149.02357	13.3
149.09668	1.9
149.13268	17.8
150.57555	1.3
151.03960	2.9
155.08583	2.5
157.10144	5.8
159.11734	14.5
161.13268	6.2
167.03378	9.9
167.64679	1.5
169.10197	2.8
171.11751	5.2
173.13315	7.7
177.12712	3.3
181.10245	1.3
183.11749	2.7
183.17532	2.5
185.13326	3.7
187.14813	3.7
195.13852	6.5
197.09584	1.7
197.13274	2.0
199.14992	1.9
201.16545	1.9
203.07092	2.6
211.14713	1.6
219.17261	1.8
227.18300	1.4
256.26352	1.5
261.22260	2.5
297.22168	1.7
317.24774	1.7
325.25165	2.0
349.14465	5.1
356.81918	1.3
394.41061	1.5
405.20743	5.6
405.69949	1.4
419.33221	2.0
437.34140	10.9
455.35431	3.6
473.36777	1.5
498.82294	1.7
511.38007	5.8
529.38989	100.0
530.39331	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.6
67.05505	2.6
68.05020	1.5
69.07086	1.4
70.06590	8.1
71.20705	1.7
71.21037	1.6
80.05029	3.5
81.07030	1.3
82.02955	1.5
84.04492	2.3
85.02906	1.7
86.09710	4.9
91.05466	7.8
92.05019	1.7
93.07045	7.7
94.06567	6.5
95.04957	2.1
97.06529	1.3
97.10602	1.7
98.06065	3.1
98.97586	1.3
100.30167	1.2
106.02905	1.4
106.06536	1.3
108.04481	17.9
108.08091	1.9
110.06037	1.3
111.08087	6.2
111.70789	1.3
117.07033	1.3
118.78158	1.2
119.04964	1.5
119.08669	1.9
120.04472	5.1
120.08140	1.6
121.06554	2.5
122.02412	1.8
122.06049	10.4
123.03185	5.1
124.03963	16.3
124.07642	1.4
134.06110	2.0
134.09714	6.9
135.08069	2.7
136.07603	5.9
137.06004	2.4
138.09146	3.3
139.07533	1.7
140.03447	5.0
140.07060	8.0
148.03940	8.1
148.07657	1.5
150.05522	6.4
150.09131	1.8
152.07109	3.8
152.10744	5.7
154.04997	6.4
154.08673	3.1
156.06624	3.1
162.09149	45.2
163.07542	2.4
164.07138	4.8
166.05011	1.9
168.06575	14.7
170.08139	3.0
174.05632	1.3
176.03459	4.8
180.06647	1.5
180.10208	41.8
190.08620	11.1
192.06534	2.2
208.09705	100.0
209.10521	1.3
211.08759	1.7
212.49207	1.4
213.10274	1.6
237.10379	3.3
245.09178	1.9
251.08234	3.6
253.09721	2.4
258.11423	1.7
263.10419	2.7
265.09912	2.5
267.11349	12.7
268.09814	2.2
269.09399	1.3
273.08917	1.6
280.08694	1.5
283.10776	5.6
284.11786	1.9
285.12305	4.2
289.08270	1.7
289.11673	1.3
291.09790	17.4
293.09244	5.8
294.09985	2.5
295.05865	3.5
295.10818	7.3
296.06384	4.1
301.58331	1.4
311.10257	4.9
312.11182	4.9
313.11896	7.4
315.09665	2.8
317.11450	1.6
323.12427	17.4
326.07388	2.3
327.13617	2.2
330.12119	4.7
331.13028	9.1
343.09198	2.2
343.12988	2.1
344.11551	2.0
345.14590	2.2
359.12643	2.9
361.14026	3.3
363.15570	2.9
410.09540	2.3
422.88251	1.7
428.10651	3.9
462.16519	5.4
480.17548	12.5
494.19360	2.7
498.18732	84.7
512.20172	3.9
530.21356	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	529.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	4.1
55.01872	1.6
55.05262	1.4
55.05515	17.3
57.03428	3.1
57.07069	2.4
65.03951	2.9
67.05509	54.0
68.72818	0.6
69.07074	17.7
69.16495	5.4
69.16917	2.9
71.04987	2.5
71.08645	1.2
71.10886	0.7
71.52058	0.7
79.05495	39.8
81.03419	3.3
81.07063	56.5
83.04972	4.1
83.08628	10.5
85.06528	1.7
91.04910	0.8
91.05484	32.1
93.07050	49.2
95.04980	5.5
95.08609	31.8
97.06532	4.9
97.10168	2.3
97.23385	0.8
98.21513	1.8
99.08099	1.4
105.04529	1.8
105.07037	21.5
107.08598	23.6
109.06554	2.0
109.10162	11.9
111.08145	3.5
117.07019	11.1
119.08590	14.5
121.10147	16.2
121.11030	0.9
123.08054	1.3
123.11722	3.2
125.09668	0.9
129.07019	6.2
130.07806	0.9
131.08575	17.0
131.09534	1.7
133.10130	13.5
135.08101	1.1
135.11700	11.3
137.13269	1.1
141.06996	1.8
143.08557	5.3
144.09334	1.1
145.10126	12.9
147.11681	6.0
149.13263	14.8
149.14384	1.3
151.11201	1.6
155.08589	2.7
157.10139	6.5
159.11710	11.9
161.13258	3.9
163.14838	1.5
167.14308	1.0
169.10168	2.6
171.11763	4.2
173.13266	5.6
175.14896	1.3
177.12785	2.3
181.10211	1.6
183.11731	2.2
185.13225	4.5
187.14922	3.7
195.11867	1.4
195.13818	5.5
197.13298	1.3
199.14824	1.6
201.16374	1.1
209.13208	0.8
211.14848	1.5
213.16570	1.0
225.16388	1.0
243.21011	0.9
253.46881	0.8
261.22238	3.8
311.23959	1.0
317.24802	1.1
327.26663	0.9
329.24417	0.9
375.14633	0.9
419.33258	2.3
437.34412	8.7
455.35263	3.4
473.36301	2.4
507.15274	0.9
511.37598	4.7
529.38971	100.0
530.39514	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.7
55.01868	2.8
55.05272	1.6
55.05519	24.5
57.03437	7.4
57.07082	7.8
58.50089	1.0
65.03952	2.8
67.05512	65.8
69.06731	2.0
69.07076	28.0
69.39154	7.9
71.04983	3.8
71.08648	5.2
73.95276	0.9
75.04482	1.4
78.05286	1.1
79.05504	53.2
81.03435	2.2
81.07068	79.7
83.05002	5.5
83.08633	18.5
85.06551	3.4
85.10181	2.3
91.05495	36.9
93.07057	64.5
95.04995	7.2
95.08623	37.9
97.06529	8.1
97.10180	6.2
99.08099	2.6
105.04532	2.4
105.07041	21.1
105.90333	1.3
107.04935	1.6
107.08605	33.4
109.06541	1.4
109.10170	16.5
109.10860	2.0
111.08081	5.1
111.11728	2.2
113.63256	1.1
115.05482	1.5
115.07583	1.0
117.07028	15.4
119.08588	15.3
121.06511	1.1
121.10155	26.9
123.08115	1.9
123.11758	5.5
125.09644	2.5
129.07011	4.5
131.08578	17.5
133.10138	13.1
135.08151	1.0
135.11708	17.4
137.13289	1.6
139.11171	1.9
142.07816	1.3
143.08591	4.7
145.10139	10.7
147.11711	5.8
149.13278	24.7
151.11208	1.2
155.08598	3.3
157.10109	3.8
159.11732	13.5
161.13272	4.8
163.14832	2.2
167.14343	1.7
169.10165	3.3
171.11723	4.2
173.13301	6.6
175.14836	2.0
177.12770	4.1
181.10120	1.2
185.13306	2.5
187.14883	2.2
195.12141	1.2
195.13805	6.4
197.13290	1.2
199.14896	2.2
201.16360	2.8
243.21043	1.2
261.22232	3.4
289.21490	1.3
317.24835	1.2
345.31476	1.4
363.32605	4.1
369.28088	1.3
399.34671	6.0
419.33160	1.9
437.34482	6.6
455.37167	6.6
473.36182	1.3
511.38681	3.9
529.38983	100.0
530.39258	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02403	1.0
51.12447	0.8
53.03949	4.4
55.01872	1.1
55.05264	1.6
55.05515	17.7
56.07661	0.9
57.03449	4.7
57.07083	2.9
65.03931	3.5
66.60559	0.7
67.05511	60.2
69.03407	1.4
69.06729	1.3
69.07079	21.5
70.99540	1.9
71.04988	4.0
77.03951	1.2
79.05500	50.2
80.05855	0.9
81.03427	2.4
81.07066	64.5
83.04984	3.9
83.08630	11.9
84.38831	0.8
85.06558	1.9
91.04912	1.4
91.05488	31.9
93.07054	55.6
95.04983	6.3
95.08613	32.9
97.06547	7.7
97.10189	3.2
99.08131	2.3
105.04554	1.5
105.07046	16.7
107.04949	1.1
107.08608	28.5
109.06505	2.1
109.10166	10.4
111.08083	4.1
117.07034	13.4
119.08591	13.2
121.06510	1.3
121.10155	25.0
123.08044	1.1
123.11722	2.6
125.09658	1.1
129.07030	3.1
131.08582	15.9
131.09515	1.1
133.10141	11.1
135.11710	11.5
139.11206	1.0
141.06924	1.0
142.07863	0.9
143.08578	3.7
145.10141	12.2
147.11697	6.8
149.09555	0.8
149.13271	21.8
150.52315	0.8
155.08540	1.5
157.10133	4.5
159.11697	16.3
161.13242	4.8
163.14876	1.9
167.08702	1.0
169.10139	1.1
171.11705	3.9
172.92293	1.0
173.13269	4.8
175.14891	2.2
177.12772	3.9
181.10178	1.4
183.11784	1.2
185.13283	3.2
187.14900	2.3
189.16521	1.0
191.33627	0.8
195.11780	1.1
195.13855	5.2
197.13257	2.1
199.14809	2.1
201.16388	1.0
225.16521	1.4
243.21254	1.1
259.20740	1.2
261.22241	5.7
299.23596	1.0
311.23630	1.1
317.24875	1.9
348.49219	0.9
419.32727	1.3
437.34299	5.9
455.35324	3.2
511.37735	1.9
529.38953	100.0
530.39380	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	1.6
53.03945	7.0
55.01863	1.8
55.05511	20.4
57.03434	5.2
57.07074	4.0
65.03944	3.6
67.05505	72.9
69.03418	1.9
69.07067	24.5
69.16519	5.7
69.16959	6.5
71.04993	4.2
71.08634	1.5
77.03943	1.2
79.05496	55.8
81.03423	5.0
81.07059	77.0
83.04985	5.1
83.08624	15.0
85.06546	4.7
87.04472	3.5
91.05481	40.4
93.07049	63.8
95.04954	7.6
95.08606	46.3
97.06539	7.9
97.10177	5.3
98.21512	2.7
99.08089	2.4
105.04507	2.4
105.07037	26.6
107.08593	32.1
109.06509	2.1
109.10152	15.4
111.04459	2.4
111.08102	5.0
115.05460	3.1
117.07022	13.0
119.08588	21.9
119.09363	1.9
121.06527	1.5
121.10140	26.5
123.08095	2.1
123.11712	5.7
125.09645	1.3
128.06294	1.2
129.05533	1.9
129.06995	4.0
130.07793	1.4
131.08580	24.2
133.10130	17.7
133.17084	1.1
135.08095	2.0
135.11691	15.3
139.11194	1.2
141.06998	2.3
142.07845	1.4
143.08601	6.1
143.09584	1.2
144.05424	1.2
145.10117	14.3
147.11699	7.6
149.09639	2.2
149.13263	21.2
155.08498	2.0
157.10153	6.1
159.11685	16.0
161.13235	6.5
163.14859	5.2
167.03482	1.5
169.10165	4.4
171.11774	5.5
173.11992	1.1
173.13232	6.8
175.14851	1.5
177.12782	2.7
181.10168	1.9
181.15897	1.9
181.56993	1.1
183.11725	3.1
185.13319	3.4
187.14879	4.6
192.50566	1.2
195.11903	1.4
195.13744	5.6
197.13341	2.1
199.14816	2.3
201.16322	1.6
205.15886	1.7
211.20592	5.5
217.19966	1.3
239.18091	1.2
241.18001	3.2
256.26465	3.4
257.19034	1.5
259.20602	1.6
261.22174	3.4
275.20047	1.7
370.02197	1.6
419.33356	1.9
437.34152	8.8
455.35297	4.1
463.27078	1.3
473.36328	2.2
511.37997	5.5
514.48071	1.1
529.38910	100.0
530.39404	3.5
535.18488	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.6
56.96568	1.0
67.05499	1.7
69.03426	0.6
69.07058	1.5
70.06590	0.4
70.19932	1.4
70.20303	0.7
76.69911	0.4
79.05472	0.8
81.03393	0.6
81.07050	1.3
81.12731	0.4
82.08646	0.4
83.08623	0.5
85.02908	0.8
91.05482	0.8
93.07053	0.9
95.08611	1.2
97.06528	0.4
98.97584	1.0
105.07040	1.0
107.08623	0.9
109.10158	1.0
111.04483	0.5
111.11723	1.1
112.12179	0.5
119.04955	0.8
119.08566	0.8
121.10108	0.6
122.35001	0.4
127.03893	0.6
131.08575	0.4
133.10117	0.7
145.73396	0.5
147.04459	1.4
163.11243	0.5
177.00668	0.4
203.05304	8.3
263.13242	0.7
281.14420	1.2
306.41788	0.4
349.27194	4.2
409.28604	0.6
443.19778	1.2
485.21204	0.6
499.32687	0.6
505.21765	0.5
529.33539	100.0
530.33630	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	529.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.05518	7.3
57.03410	2.6
57.54370	1.1
65.03916	1.7
67.05512	19.4
67.82195	1.1
69.07073	5.8
71.55844	1.4
79.05511	11.8
81.03436	6.9
81.07069	19.7
83.04962	1.4
83.08582	4.2
91.05489	10.7
93.07054	14.2
95.04929	3.9
95.08620	12.9
97.06509	1.3
98.42902	1.2
105.07045	7.7
107.08582	7.1
109.10101	4.7
117.06998	2.9
119.08531	3.8
121.10168	5.7
123.11658	1.6
129.06946	2.1
131.08525	3.2
133.10049	4.2
135.11627	3.1
143.08545	1.8
145.10068	3.3
147.11636	2.9
149.02316	1.8
149.13167	3.2
159.11609	3.2
161.13141	1.7
166.94327	1.1
167.03371	1.1
171.11559	1.4
173.13281	2.2
185.13284	1.2
193.12279	2.6
194.20969	1.1
195.09944	10.5
195.13669	1.6
205.08537	2.1
223.63531	1.4
230.23361	1.2
251.12300	1.7
257.94687	1.3
263.23645	1.6
283.26270	1.6
313.07681	1.1
335.25775	2.2
338.20584	1.3
407.72806	1.2
496.68427	1.3
528.49371	2.5
529.34503	100.0
529.50336	3.3
530.34991	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3319
Annotation	Ferruginin C
Peak:m/z	Relative Intensity
53.03951	6.5
55.05512	23.8
55.45583	1.6
56.79921	1.6
57.03431	4.0
57.07082	9.5
65.03957	4.3
67.05509	83.3
69.03447	3.1
69.07077	28.7
71.04977	4.4
71.08611	1.5
74.33144	1.6
79.05497	47.2
81.03419	19.0
81.07065	96.4
83.04988	3.5
83.08620	17.3
85.06566	3.4
91.05484	38.0
93.07051	64.7
95.04968	8.3
95.08614	100.0
97.06532	5.4
97.10178	5.3
98.21619	3.9
105.07040	24.6
107.05001	2.6
107.08608	42.6
109.06528	2.4
109.10163	74.6
111.08092	3.8
115.05484	2.0
116.54958	1.5
117.07037	12.0
119.08585	17.2
121.06516	1.5
121.10158	29.1
123.04451	1.9
123.11716	24.4
129.07037	5.6
131.08589	13.1
133.10138	29.1
135.11702	39.5
135.12708	2.4
137.02328	8.8
137.13338	3.3
142.07899	2.1
143.08624	7.4
145.10152	12.3
147.11731	7.9
149.02411	3.1
149.09622	2.5
149.13271	53.8
153.09312	1.8
155.08595	2.5
157.10155	7.7
159.11713	11.1
161.13327	5.8
163.14830	9.0
167.03442	5.3
167.08696	1.9
169.10185	4.2
171.10289	2.0
171.11754	6.4
173.13335	5.0
175.14838	2.2
175.22777	1.8
181.10081	2.7
185.13191	2.1
187.14944	5.5
193.12277	8.7
195.11940	1.9
195.13808	3.1
201.16435	1.9
202.89017	1.8
205.19537	16.8
237.16573	2.1
251.07149	2.1
256.26349	2.1
261.22247	2.7
269.08188	3.5
325.14297	15.0
325.25620	2.4
437.34363	8.7
455.35428	2.3
473.36554	2.1
482.84653	1.9
511.38342	3.5
529.39020	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.01863	0.5
55.05498	1.3
55.05731	0.3
56.09524	0.3
56.96563	0.4
57.03437	0.4
67.05505	2.9
69.07062	0.9
69.36398	0.5
69.36802	1.8
70.10970	0.3
70.64725	0.3
70.65107	0.3
71.05000	0.5
75.60949	0.3
76.43979	0.3
79.05517	1.6
81.03397	0.7
81.07055	1.8
83.04977	0.7
85.02917	0.9
88.68201	0.3
91.05502	1.4
93.07042	1.5
95.04977	0.6
95.08610	1.0
97.02939	0.4
97.10190	0.4
98.21456	0.6
102.15332	0.3
105.07042	1.2
106.88496	0.3
107.04948	0.5
107.08626	0.7
109.02902	0.5
109.10175	1.4
109.76999	0.4
117.07037	0.3
119.08588	0.7
121.06440	0.3
121.10162	0.8
123.11742	0.6
125.09647	0.4
127.03937	0.5
129.06952	0.3
131.08617	0.5
133.06500	0.3
133.10136	0.5
135.11742	0.5
137.06076	0.5
142.07742	0.3
147.04422	0.3
147.11723	0.4
149.09645	0.5
157.10190	0.5
173.11746	0.4
173.13231	0.3
193.12169	0.4
211.13390	0.4
229.07449	0.4
267.09097	0.4
273.15018	0.4
285.09998	0.4
301.14520	0.5
367.27823	0.5
439.27176	0.3
494.21094	0.3
499.32388	1.6
529.33569	100.0
530.33923	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01884	15.6
55.05508	3.9
57.03399	1.7
61.02918	3.3
65.03934	2.5
67.05514	10.7
67.81087	1.6
69.03439	2.1
69.07085	3.7
71.54523	1.5
71.54957	2.8
79.01845	2.6
79.05486	6.8
81.03423	3.1
81.07065	9.1
83.04984	2.5
85.02913	22.7
91.05467	6.8
93.07063	8.6
95.01399	1.8
95.04942	2.7
95.08606	2.7
97.06516	2.7
101.38954	1.7
105.07029	5.8
107.01301	3.2
107.04934	9.9
107.08601	5.6
109.02874	5.7
111.00780	3.5
119.04910	2.4
121.06532	3.3
123.00798	11.8
125.09681	1.8
129.06989	1.8
131.08577	3.2
133.02869	2.8
135.00784	2.4
135.04408	10.1
135.08052	4.7
135.11699	2.5
137.02339	7.8
141.01912	2.2
143.08588	1.7
145.10101	4.5
147.04480	2.5
147.11710	2.5
161.05977	3.7
163.03867	3.4
165.01863	4.1
175.00247	2.9
177.01768	4.3
189.01820	4.3
190.99702	8.4
191.03409	6.2
193.01367	5.2
195.02954	3.1
203.03409	5.0
204.96219	1.8
205.01286	13.0
209.00824	62.0
217.01346	3.5
219.02847	2.2
221.00824	13.4
223.02368	7.0
227.01875	17.4
229.01251	2.1
230.99252	5.3
231.02930	7.1
233.00832	4.5
235.02403	3.3
239.01788	2.4
241.38116	1.8
247.02397	12.2
249.00299	15.2
249.03983	2.8
251.01840	2.1
257.19113	2.5
259.02313	12.5
261.00458	2.4
265.03546	1.9
265.06888	3.5
267.01413	8.9
275.01877	29.9
275.20081	4.7
277.03424	3.5
293.02951	24.1
303.01514	2.0
311.03918	11.8
321.02441	22.2
339.03476	29.9
357.04532	38.7
357.08646	3.3
377.08734	2.0
399.14108	3.9
409.09073	2.4
427.10208	11.7
455.09860	11.9
473.10828	100.0
474.11298	2.0
529.17175	5.2
529.35236	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	529.24
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	1.4
68.24025	1.3
71.53984	2.3
74.50628	1.3
91.05453	1.6
92.98035	1.5
98.97600	2.2
109.21051	1.6
115.05518	1.7
116.98627	1.5
118.06561	21.7
119.04960	2.5
130.06517	2.2
132.08121	5.1
143.07381	3.0
144.08119	12.4
146.06033	62.8
147.04422	5.9
155.41467	1.9
159.09172	5.4
160.07550	1.4
170.05994	3.4
177.05606	2.2
188.07091	100.0
189.07454	3.5
197.03098	1.8
205.09756	41.5
219.01776	2.3
223.31554	1.5
237.02864	1.9
329.10736	1.9
540.66998	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.8
53.03944	7.6
55.01875	10.0
55.05309	1.8
55.05518	20.2
57.03434	16.3
57.07079	2.6
61.02647	2.9
61.02930	43.2
65.03922	2.3
67.05177	3.6
67.05511	52.6
67.62958	1.7
69.03431	23.3
69.07076	29.5
69.82060	12.6
71.01350	2.4
71.04995	5.1
73.02927	22.2
77.03959	2.5
77.38820	2.2
79.05062	3.7
79.05495	47.2
81.03424	21.0
81.07061	100.0
83.04974	7.0
83.08606	10.6
85.02914	47.1
85.06554	5.2
87.04488	2.7
91.03960	21.7
91.05486	32.9
93.07050	32.8
95.04980	13.4
95.08611	35.5
97.02900	32.0
97.06537	16.2
97.10173	3.3
99.04451	7.2
99.08076	3.1
101.02390	9.9
103.03951	5.1
105.07038	36.1
107.04957	10.2
107.08595	27.4
109.02875	8.5
109.06519	21.7
109.10163	17.7
111.08041	5.9
117.07032	10.3
119.08583	33.2
121.06492	7.8
121.10136	19.4
123.04407	2.4
123.08111	9.6
123.11671	9.8
124.43841	2.0
125.09663	4.2
127.03924	19.5
129.05495	3.0
129.07089	3.0
131.08574	14.1
133.10144	21.0
135.08061	5.0
135.11687	12.2
137.09627	6.6
141.06963	2.9
143.08560	5.8
145.04987	4.9
145.06371	1.7
145.10161	11.2
147.04385	1.9
147.08046	4.5
147.11702	26.6
149.09636	12.5
149.13272	7.2
151.11203	5.6
157.10147	7.1
159.11700	15.2
161.13268	5.9
163.11201	8.9
163.14850	2.9
165.12772	10.8
171.11800	3.6
173.13272	6.2
175.11163	5.9
177.12708	4.6
179.14273	2.5
183.06575	5.0
183.11661	3.6
191.14365	2.0
193.12213	5.1
201.07581	4.0
201.12752	2.5
211.14954	2.7
219.13780	2.8
225.52867	2.0
229.14407	2.8
229.19467	3.8
237.14825	2.3
239.02667	1.9
239.18021	6.0
247.20535	5.5
252.99236	2.2
257.18961	9.9
261.22128	2.8
275.20056	78.7
293.21173	21.4
313.86102	2.4
349.23721	18.9
367.24841	53.2
508.71085	2.2
511.28723	3.5
529.28790	5.8
529.35059	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	529.133
Annotation	Justalakonin
Peak:m/z	Relative Intensity
51.67992	0.5
52.22475	0.5
53.03920	1.3
55.01880	5.8
57.03447	3.2
60.04495	1.3
61.02891	2.0
62.44253	0.5
65.03915	2.1
68.99770	0.9
69.03397	1.7
70.06561	1.1
71.55511	0.6
72.08134	0.5
73.02889	0.5
79.05505	0.7
81.03414	3.5
83.01320	0.5
83.04942	0.6
84.08134	0.7
85.02912	8.4
86.09686	0.9
87.29428	0.4
91.05476	2.4
93.03378	1.4
95.04955	1.1
95.36864	0.5
97.02901	2.6
97.82851	0.6
103.05431	1.3
105.03367	1.1
105.06962	0.7
107.04971	4.4
109.02892	3.5
111.04407	1.5
115.05445	0.8
117.07034	0.5
118.32948	0.4
119.04124	0.8
119.04945	14.6
119.08616	0.6
121.02871	48.2
121.03819	1.5
121.06477	1.4
123.04375	0.6
127.03869	1.2
129.06940	0.6
131.04892	2.1
133.06459	1.1
135.04395	2.3
137.02280	0.6
141.06970	0.9
143.04893	0.8
145.02846	7.0
145.06454	0.7
147.04384	2.6
147.24953	0.5
149.02336	0.7
149.05927	1.0
151.03853	0.8
155.04851	1.2
157.06416	0.8
159.04439	2.8
161.02310	1.6
161.05952	1.1
163.03893	2.0
165.01796	1.3
169.06445	1.3
171.04401	1.9
173.02330	0.7
173.05998	1.5
175.03918	4.4
176.01051	1.1
177.01840	6.3
177.05461	1.2
178.72948	0.4
179.03363	1.7
181.04893	0.6
181.06427	0.8
183.04414	1.2
185.05943	1.6
187.03917	4.4
187.07472	0.5
189.01826	10.4
189.05429	1.8
190.02524	1.0
191.03362	5.2
193.04886	1.0
195.02887	10.7
195.08148	0.5
197.05977	1.8
199.03912	2.9
200.04628	0.6
201.01898	2.4
201.05429	2.5
202.02654	0.6
203.03400	25.9
204.04166	1.3
205.01474	0.7
205.04948	2.4
207.02887	8.2
209.04382	0.7
211.03917	2.0
213.01859	0.5
213.05446	2.0
215.01453	0.8
215.03392	10.3
216.04166	0.7
217.01463	1.0
217.04965	10.7
218.02469	0.6
219.02866	1.8
219.06439	1.1
221.04416	7.0
221.06297	0.9
223.05736	0.6
225.05452	1.9
227.03409	4.8
228.04099	1.3
229.04988	7.9
231.02867	2.4
231.06416	1.1
233.04474	3.9
235.05965	1.5
237.05566	1.2
239.03442	2.7
239.06979	0.9
241.04955	3.8
243.02905	5.9
243.06560	1.3
245.04456	2.6
247.05998	1.4
251.07068	1.0
253.04961	2.9
254.05695	0.6
255.02843	4.5
255.06508	1.6
257.04453	3.2
259.05972	0.8
261.04028	1.7
263.07153	0.6
263.16461	0.9
265.04968	1.3
266.05734	1.4
267.02972	1.4
267.06537	3.2
268.07294	3.4
269.04434	2.6
269.08072	0.5
270.05124	1.0
271.06021	1.6
273.04013	2.5
277.08627	1.0
278.05792	0.9
279.06607	4.2
280.07297	1.3
281.04510	2.0
281.08102	1.8
282.05194	1.0
283.06015	9.3
284.06738	1.0
285.03922	1.8
285.07098	0.4
287.05371	0.6
289.08633	1.1
291.06500	2.1
291.09671	0.6
292.07239	3.2
293.04532	1.8
293.08090	4.8
294.05331	6.7
294.08646	1.3
295.06015	100.0
296.06665	5.1
297.04239	0.9
297.07556	5.7
301.08185	1.1
303.06113	0.6
304.07318	1.5
305.07996	3.6
306.08841	1.4
307.06021	54.6
308.06738	9.7
309.03922	3.4
309.07501	21.8
310.07932	0.8
311.05530	1.3
313.07162	1.7
317.08093	6.8
318.08911	2.0
319.06003	4.8
319.09644	2.4
320.06747	7.4
321.07581	58.1
322.04678	2.0
322.08325	9.1
323.05438	3.4
323.09201	7.2
324.06204	0.8
325.07077	36.8
326.07455	1.1
327.05334	0.6
329.08142	4.5
330.08951	0.7
331.05914	1.6
331.09665	1.9
332.06741	1.3
333.07568	28.0
334.08289	3.6
335.05460	3.2
335.09109	21.6
336.06238	2.9
336.09848	1.9
337.07074	21.4
337.10657	1.1
339.05011	1.1
339.08804	2.2
342.09048	0.9
343.09625	1.5
344.06833	1.1
345.07593	9.9
345.11450	1.1
346.08401	2.9
347.05399	1.5
347.09134	20.9
348.06125	1.5
348.09851	1.1
349.07062	74.9
349.10526	3.8
350.07544	2.6
351.08670	13.0
353.06573	1.4
355.09082	1.6
357.07532	4.8
358.08191	1.4
359.05371	0.6
359.09183	5.5
360.06030	0.6
360.10059	1.1
361.07025	36.9
361.10611	2.4
362.07721	2.1
363.04379	0.8
363.08640	13.0
363.13043	0.8
365.06430	1.5
365.10245	7.0
366.28549	0.6
367.08142	7.8
371.09149	2.2
373.06970	11.7
373.10922	1.6
374.07883	4.0
375.04019	0.9
375.08618	17.5
377.06400	1.9
377.10532	5.2
378.07141	0.7
379.08130	68.1
380.08435	1.6
381.09842	1.0
383.09079	1.8
385.06891	6.3
386.07861	1.0
387.08655	7.8
389.06516	1.2
389.10416	10.3
391.08087	37.0
392.08408	0.7
393.05344	0.6
393.09805	4.8
395.07779	1.9
397.09204	71.6
398.09659	2.2
399.08636	5.1
401.10532	6.0
403.08127	23.2
404.08649	0.9
405.09882	7.2
407.07520	1.4
409.09195	19.0
411.08655	1.6
415.08896	10.4
416.08765	0.7
417.09808	8.9
419.11426	9.1
421.09225	17.1
423.11249	0.9
425.08936	0.7
427.09457	13.2
429.09702	6.5
433.04523	0.4
433.09189	17.3
437.12537	2.6
439.10297	17.9
445.09210	30.9
446.09833	0.7
447.10709	5.7
451.10281	22.7
457.09207	15.1
458.09549	0.7
463.05322	0.4
463.10236	17.3
465.11896	4.0
469.11349	8.4
475.10281	28.1
481.11322	30.4
493.11301	54.2
494.11694	1.9
499.12497	4.1
500.12421	0.5
511.12387	78.5
512.12799	2.0
529.13434	68.5
530.13770	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39280	0.6
51.02352	0.6
52.65703	0.6
53.03940	5.7
55.01864	3.4
55.05511	23.3
57.03433	2.4
57.07066	2.0
59.04974	0.8
61.71619	0.6
65.03921	2.1
67.05507	44.8
69.03426	2.6
69.07072	10.5
71.04988	2.1
76.36760	0.7
77.03917	0.8
79.05495	36.9
81.03419	41.3
81.07056	34.1
83.04980	4.4
83.08146	1.2
83.08617	15.9
85.06534	1.6
89.06023	0.9
91.05480	28.2
93.07043	32.0
95.04975	14.2
95.08605	23.9
97.02872	0.8
97.06538	2.5
97.10177	10.7
98.20709	1.7
99.08107	0.7
103.05499	1.2
105.04551	0.7
105.07035	25.2
107.04962	3.7
107.07873	1.1
107.08595	19.3
109.06519	1.7
109.10148	14.3
111.04441	1.1
111.08067	4.5
115.05470	1.6
116.06240	1.1
117.07016	11.1
119.04979	0.7
119.08577	19.8
121.06480	2.1
121.10150	14.3
123.08054	1.6
123.11720	2.6
125.09637	7.2
128.06250	2.9
129.07007	11.4
129.90617	0.7
130.07751	1.0
131.08571	18.5
131.09532	1.2
133.06476	2.0
133.10129	10.6
135.08051	2.5
135.11693	9.3
137.09636	2.2
141.06987	2.7
142.07776	3.4
143.08548	8.1
145.10135	11.9
147.08095	1.7
147.11694	9.8
149.09612	2.3
149.13309	4.2
153.07021	1.2
153.09157	1.4
154.07747	1.0
155.08582	5.1
157.10117	12.3
159.08070	0.8
159.11705	9.4
161.13283	4.1
163.11165	0.9
163.14842	1.6
165.12758	0.8
167.08591	1.9
167.78383	0.8
168.09306	0.7
169.10106	5.8
171.10248	1.1
171.11661	6.2
173.09755	0.8
173.11761	1.9
173.13295	6.3
175.11197	4.6
175.14850	2.0
181.10161	2.6
183.11685	4.8
185.13220	5.5
187.14822	3.0
189.11206	5.0
189.12767	1.6
193.10460	1.0
193.12250	20.4
195.11652	2.9
197.13327	3.6
199.14822	2.9
201.16374	1.8
207.11682	0.8
208.12463	0.9
209.13329	1.5
211.14873	3.0
213.12831	0.6
213.16473	2.2
221.13243	1.0
223.14926	1.4
225.16437	1.7
237.16412	1.5
239.17834	0.8
243.21016	1.9
249.14662	3.5
261.22162	6.9
267.15875	1.5
271.89111	0.7
276.86896	0.8
285.22086	1.1
287.20163	0.8
299.23749	2.2
301.25269	3.0
311.23697	0.9
315.23398	0.9
317.24765	2.1
323.23764	1.1
325.21701	0.8
331.22797	0.8
341.24756	1.0
417.31561	2.8
435.32562	10.3
453.33649	10.4
471.34927	6.8
491.35245	1.0
509.36456	3.8
527.37323	100.0
528.37628	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	527.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01874	0.7
55.05499	1.8
61.02932	0.8
65.03944	0.7
67.05514	4.7
69.03436	1.0
69.07078	1.2
70.04316	1.2
70.04717	2.2
71.04996	0.9
79.05492	2.3
81.03412	2.6
81.07062	3.3
83.04998	1.2
83.08614	1.5
85.02900	1.6
85.06577	0.6
91.05501	3.0
93.07047	2.0
95.04975	0.7
95.08602	2.1
97.02913	1.4
97.06570	0.7
98.20902	0.9
98.97604	1.6
105.07048	1.7
107.04994	0.7
107.08598	1.3
109.10174	2.5
117.07011	0.7
119.08586	2.7
121.02901	0.6
121.10145	1.3
123.11742	1.1
127.03955	1.1
129.06998	0.7
131.08627	0.9
133.10204	0.8
137.05974	0.9
145.10190	0.9
147.04454	0.8
147.08070	0.6
147.11757	0.7
151.11272	0.8
163.11296	0.8
164.42191	0.6
173.11891	0.6
185.14682	0.6
203.05287	5.7
209.11824	0.8
257.04483	0.8
271.05692	0.6
283.15674	0.8
287.05618	0.8
347.21906	1.2
347.25662	10.5
365.26749	0.8
391.61487	0.7
483.25610	0.6
497.30707	0.8
499.67279	0.7
509.27725	0.7
527.10724	4.7
527.32007	100.0
528.32428	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.8
53.03946	3.7
55.01876	4.0
55.05515	21.3
57.03436	1.9
57.07067	1.7
58.45478	0.7
61.76487	0.5
65.03928	2.1
67.05508	48.3
69.03416	2.0
69.07076	12.2
70.23891	2.3
71.05000	3.3
77.03944	0.7
79.05500	38.0
80.39908	0.8
81.03423	40.9
81.07062	37.8
82.07393	1.0
83.04990	5.3
83.08624	15.1
85.06559	0.9
91.05488	31.3
93.07053	31.7
95.04976	14.3
95.08615	25.2
95.72253	0.8
97.02878	1.5
97.06521	2.2
97.10175	11.5
103.05510	1.0
105.04497	1.1
105.07038	23.2
107.04953	4.8
107.08601	18.6
109.06514	2.6
109.10168	14.9
111.08083	4.9
115.05451	2.5
117.07030	10.7
119.04960	0.8
119.08586	18.8
121.06503	2.1
121.10147	14.4
123.04440	1.0
123.08073	1.4
123.11719	2.0
125.09633	8.3
128.06224	1.9
129.07014	12.7
131.08582	20.9
133.06506	2.0
133.10143	13.6
135.08087	1.7
135.11684	10.0
137.09619	2.0
141.07011	2.8
142.07832	3.3
143.08565	8.9
145.10129	14.3
147.08099	2.0
147.11699	10.8
149.09648	2.7
149.13283	5.8
153.09070	1.6
155.08572	5.7
157.10133	12.9
159.08118	0.8
159.11697	10.2
161.13245	4.2
163.14832	2.0
165.12738	1.4
167.08641	1.7
169.10138	6.4
171.11687	7.5
173.11829	1.0
173.13237	7.8
175.11198	5.1
175.14845	2.8
181.10130	3.4
183.11696	6.6
185.13231	5.5
187.07518	0.7
187.14830	3.3
189.11263	4.0
189.12743	0.8
193.12257	21.4
195.11755	2.3
196.12531	0.9
197.13275	4.2
198.97466	1.4
199.14903	2.6
200.47989	0.8
201.16376	1.0
207.11665	1.7
209.13242	2.0
211.14848	2.7
213.16393	1.9
221.13327	1.6
223.14861	1.6
225.16379	1.3
227.17964	0.8
231.13759	0.9
237.16498	1.1
243.21188	1.8
249.14888	2.4
251.17943	1.1
259.20721	1.1
261.22150	7.9
265.19666	1.2
267.15930	1.2
275.20026	0.9
299.23846	2.0
299.53796	0.9
301.25278	3.3
309.22131	1.3
311.23611	1.0
317.24847	1.7
339.23126	0.8
341.24878	1.1
387.25616	0.8
417.31561	2.7
435.32571	10.9
453.17767	0.9
453.33768	11.5
471.34781	8.4
509.36276	4.0
527.37372	100.0
528.37921	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	527.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.6
55.05511	15.4
57.03453	6.9
59.98745	3.3
61.73147	3.3
67.05511	46.5
69.03432	5.0
69.07063	13.6
71.01363	6.0
71.04984	2.9
71.55591	5.0
73.02915	10.8
79.05502	50.4
81.03416	6.7
81.07065	45.6
83.04975	4.3
83.08633	7.1
85.02906	23.9
91.05486	46.5
93.07054	68.4
95.01315	8.8
95.04971	6.1
95.08601	22.7
97.06518	5.2
97.10155	5.0
105.07044	47.8
107.05003	5.1
107.08614	39.3
109.10158	22.3
111.81745	3.5
113.02373	10.3
117.07011	9.3
119.08593	36.7
121.10176	26.3
128.06149	3.7
129.07002	8.4
131.03378	4.0
131.08588	19.9
133.10138	37.6
135.11728	27.9
141.01830	13.6
143.08583	10.4
145.10143	17.4
147.04388	3.8
147.11702	32.4
149.09692	5.2
149.13307	19.1
153.37930	3.1
157.10120	9.8
159.11703	18.4
161.13257	26.5
163.14787	5.2
171.11690	10.1
173.13295	9.8
175.14824	13.1
177.12706	4.1
181.81653	3.4
185.13255	8.1
189.12718	4.1
190.65520	3.7
199.14912	4.4
213.16354	3.4
229.14262	3.6
231.21161	5.6
241.19537	33.0
257.18805	3.6
259.20575	69.3
277.21597	8.4
278.25549	3.5
333.24261	13.4
351.25323	100.0
355.92569	3.3
402.64041	3.8
435.24332	4.5
509.27982	5.5
527.29327	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	527.247
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56666	0.3
67.05500	0.7
69.03449	0.5
69.07074	0.6
70.93849	0.8
79.05481	0.7
81.03399	0.5
81.07056	2.4
83.08617	0.4
85.02918	0.7
91.05489	1.1
93.07045	1.4
95.08598	0.7
105.07076	0.8
107.08604	0.8
109.10208	0.4
119.04942	0.5
119.08598	0.7
121.10158	0.5
131.08554	0.5
133.10185	0.5
135.11737	0.9
147.04514	0.8
149.13231	0.4
167.88147	0.4
185.04173	0.4
203.05376	0.9
229.03143	0.3
245.06369	3.6
261.18661	1.6
279.19366	4.0
287.04025	0.3
289.05350	6.0
298.04678	0.7
321.19220	0.7
395.11508	0.3
423.23166	1.2
441.24622	7.6
443.67883	0.4
449.12402	0.9
464.17029	0.4
465.24683	1.5
483.25677	39.9
484.25809	1.5
509.23517	1.1
527.24670	100.0
528.25006	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	527.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.0
57.03436	0.5
67.05502	1.9
69.03429	1.4
69.07090	1.0
71.55591	0.7
79.05492	1.6
80.29539	0.4
81.03410	1.0
81.07064	3.1
83.04990	0.8
85.02909	1.3
85.06609	0.5
91.05486	1.6
93.07060	2.3
95.04977	0.7
95.08627	1.5
97.02908	1.2
98.97594	0.7
105.07037	1.4
107.04977	0.5
107.08602	1.4
109.06529	0.9
109.10188	1.1
111.08020	0.5
117.07017	0.9
119.01929	0.7
119.08585	1.2
121.10166	1.1
123.08097	0.6
123.11675	0.5
126.73949	0.4
131.08566	0.7
133.10124	1.2
135.11722	1.1
137.09659	0.6
143.01855	0.6
144.96216	0.5
145.10136	1.1
147.08215	0.5
147.11749	0.9
149.09569	0.7
161.06587	0.5
162.09148	0.7
167.07191	0.6
191.10683	0.6
208.09714	0.6
209.10088	0.7
227.05252	0.5
227.12834	0.6
227.14879	0.7
251.14919	1.2
261.18307	1.0
271.04352	0.7
273.18658	0.5
279.19446	4.2
287.10315	1.2
288.10632	1.2
289.05362	0.8
291.19540	0.7
321.19098	3.3
333.19043	0.5
354.11444	0.5
365.23276	0.6
401.76685	0.5
401.83667	0.5
423.23575	2.2
441.24689	5.4
450.79956	0.4
465.24728	7.4
483.25644	23.9
495.19864	0.5
509.23599	25.4
510.24332	0.6
527.24677	100.0
528.24890	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2651
Annotation	Applanoxidic acid C
Peak:m/z	Relative Intensity
54.66848	5.4
55.01866	15.6
55.05492	20.5
65.03928	8.2
65.90047	6.5
67.05513	48.3
69.03423	7.8
69.07077	47.4
71.04982	22.6
71.55385	7.0
79.05510	34.5
81.03400	19.6
81.07047	50.5
83.01340	13.9
83.08610	8.2
91.05486	33.2
93.07049	35.6
95.04942	16.1
95.08615	27.2
97.06528	18.2
99.04408	6.1
103.05457	16.0
105.07066	39.2
105.07651	7.9
105.37760	5.9
107.04957	9.5
107.08576	21.9
109.02870	21.2
109.06509	10.8
109.10164	13.8
113.06010	69.6
117.07013	19.7
118.74444	5.5
119.08587	16.2
121.06510	11.3
121.10132	13.0
124.28233	6.4
129.07021	12.8
131.04909	27.3
131.08568	18.4
133.06505	81.2
133.10158	12.8
135.08069	12.7
135.11661	11.4
137.05984	10.4
139.03867	5.6
141.29308	5.9
143.08562	10.8
145.06487	10.0
145.10138	18.2
147.04385	10.5
147.07901	6.0
147.11679	8.7
149.02322	14.8
149.13274	9.3
151.07532	43.8
155.08553	10.1
157.10207	9.5
159.04378	42.3
161.05954	18.9
165.01807	8.1
167.03371	19.7
169.01337	18.5
169.10020	9.3
171.11742	11.0
173.05988	17.5
175.11250	8.3
177.01846	41.5
177.05501	33.3
179.07024	6.6
179.08516	12.4
181.01312	22.9
183.11737	8.6
185.13347	8.3
189.01852	22.2
189.05508	12.1
189.12709	19.1
193.01268	6.9
195.02911	59.2
199.02354	15.6
205.04919	35.6
207.02907	16.9
209.00844	9.5
215.10701	58.8
219.06525	10.2
223.06065	14.0
229.04970	22.6
231.06573	54.5
233.08104	79.5
235.05980	17.8
237.07628	16.6
247.06061	60.4
249.07594	23.1
251.09137	32.0
253.07117	14.8
261.11188	16.2
265.07120	88.9
267.06519	7.1
279.06644	10.2
283.08188	21.0
285.11194	14.4
302.26044	5.8
303.12302	68.1
303.50568	6.0
307.02530	6.0
321.13287	72.8
339.14456	26.0
417.17279	6.8
421.20062	22.7
423.17590	8.7
435.18091	12.3
435.32727	10.5
453.19119	100.0
491.24176	16.5
509.25470	46.9
527.29724	8.3
527.37402	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	526.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
61.35946	1.1
65.69537	0.9
67.05490	1.2
69.03431	1.5
69.07054	3.3
70.06586	1.1
71.55589	1.4
81.07059	1.8
83.61760	0.9
85.02906	1.6
91.05501	2.2
94.06588	7.7
98.97614	1.7
116.98661	1.1
120.04484	1.3
121.10100	1.0
122.06044	9.3
134.06017	1.2
137.06001	1.5
138.05444	1.7
140.07060	12.6
143.59534	0.9
145.10135	1.1
146.05998	4.5
147.04424	2.7
172.03918	7.1
173.04703	1.3
174.05406	5.0
190.05019	4.1
204.06525	6.0
206.08157	2.2
208.10002	1.0
209.10764	2.2
211.12354	1.4
212.09433	2.0
221.10764	1.2
222.07838	2.0
223.12321	2.0
224.09430	1.2
225.10225	6.5
226.11095	1.0
235.08615	5.0
236.09328	7.5
237.08035	1.6
237.10233	19.5
238.08727	2.0
238.10991	1.8
239.11832	2.5
249.10175	2.8
250.07245	1.0
250.10997	4.6
251.08043	1.9
251.11784	21.4
252.08943	5.0
252.12518	1.9
253.09772	6.6
253.13544	1.2
255.11314	4.5
261.12350	2.2
262.11285	1.3
263.11783	1.4
264.09189	1.1
265.09738	28.0
266.10510	5.0
267.11304	14.7
277.09784	1.3
278.06601	3.9
278.10611	1.9
279.11282	24.7
280.12033	3.4
281.12982	2.0
283.10739	3.6
284.11575	1.5
285.12457	3.1
293.09253	22.2
294.10071	4.5
295.10803	17.2
297.12479	6.9
307.10706	8.3
309.12323	6.1
311.10233	1.8
312.10974	2.1
313.11838	21.0
317.08032	1.8
324.10983	1.3
325.11850	33.2
326.12350	2.3
331.12875	2.0
335.10278	19.2
337.12012	1.6
345.14441	3.6
353.11337	100.0
353.81290	1.1
354.11728	2.9
355.12881	4.3
371.12439	1.6
385.13989	13.9
450.20279	1.5
452.18436	2.1
466.19846	2.6
494.19272	64.2
495.19327	2.3
498.21631	1.2
526.23199	6.1
527.17346	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	526.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41711	3.3
55.05519	15.6
57.03432	9.6
57.07057	2.9
57.98198	2.7
58.01600	2.1
58.28809	2.4
63.18317	2.5
67.05512	100.0
69.07082	14.6
71.08627	2.5
71.55459	2.4
71.55910	3.7
73.20406	2.4
77.62057	2.5
79.05499	9.7
81.07068	45.2
83.04969	2.5
83.08633	15.2
84.12350	2.6
85.06544	3.9
87.04480	3.4
89.06041	51.4
91.05486	8.1
93.07046	12.7
95.08611	29.7
97.10174	6.2
105.07023	5.7
107.08598	7.1
109.10168	69.6
109.36755	2.4
111.08121	4.7
111.80882	2.3
117.40718	2.4
119.08571	11.6
121.10113	6.2
123.11742	3.3
131.51494	2.4
133.08612	37.4
133.10132	5.1
150.79489	2.2
155.10716	4.3
173.11798	22.0
177.11259	13.0
181.93231	2.8
219.14728	2.8
221.14050	2.7
229.14381	78.4
239.14955	3.5
254.47685	2.4
263.23743	5.7
283.17462	3.4
287.60739	2.5
327.20123	24.3
337.27423	83.7
438.80707	2.7
491.37393	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.0
57.03436	0.5
67.05502	1.9
69.03429	1.4
69.07090	1.0
71.55591	0.7
79.05492	1.6
80.29539	0.4
81.03410	1.0
81.07064	3.1
83.04990	0.8
85.02909	1.3
85.06609	0.5
91.05486	1.6
93.07060	2.3
95.04977	0.7
95.08627	1.5
97.02908	1.2
98.97594	0.7
105.07037	1.4
107.04977	0.5
107.08602	1.4
109.06529	0.9
109.10188	1.1
111.08020	0.5
117.07017	0.9
119.01929	0.7
119.08585	1.2
121.10166	1.1
123.08097	0.6
123.11675	0.5
126.73949	0.4
131.08566	0.7
133.10124	1.2
135.11722	1.1
137.09659	0.6
143.01855	0.6
144.96216	0.5
145.10136	1.1
147.08215	0.5
147.11749	0.9
149.09569	0.7
161.06587	0.5
162.09148	0.7
167.07191	0.6
191.10683	0.6
208.09714	0.6
209.10088	0.7
227.05252	0.5
227.12834	0.6
227.14879	0.7
251.14919	1.2
261.18307	1.0
271.04352	0.7
273.18658	0.5
279.19446	4.2
287.10315	1.2
288.10632	1.2
289.05362	0.8
291.19540	0.7
321.19098	3.3
333.19043	0.5
354.11444	0.5
365.23276	0.6
401.76685	0.5
401.83667	0.5
423.23575	2.2
441.24689	5.4
450.79956	0.4
465.24728	7.4
483.25644	23.9
495.19864	0.5
509.23599	25.4
510.24332	0.6
527.24677	100.0
528.24890	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	526.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09568	0.7
61.11278	0.7
65.03947	1.1
69.03437	1.0
69.07065	4.0
69.78705	3.4
70.06586	0.7
72.08165	0.9
79.05483	1.4
81.07072	1.3
85.02897	1.5
86.81635	0.8
86.82176	0.8
91.05467	1.3
93.07050	0.9
94.06579	8.0
95.72432	0.8
98.21485	1.4
107.04951	1.0
107.08589	1.6
110.06084	1.6
110.07141	0.8
116.04987	0.9
120.04498	2.2
122.06023	9.4
136.07562	1.4
138.05537	1.8
140.07082	14.2
144.04503	2.1
146.06042	4.0
147.06801	1.1
150.05537	1.0
152.07045	1.0
160.07571	0.7
162.09120	1.4
172.03947	7.8
173.04810	1.0
174.05505	4.9
181.83292	0.7
190.05000	4.1
197.10715	1.7
204.06583	7.3
206.08188	2.8
208.09834	1.9
209.10722	2.1
210.09068	1.2
211.12386	1.3
212.09442	3.2
222.07892	0.9
223.12358	2.0
224.09366	1.6
225.10234	7.5
226.11052	1.2
234.09227	1.1
235.08673	4.3
236.09415	6.0
237.08022	1.6
237.10263	18.7
238.11009	3.1
239.11838	3.0
241.09763	1.2
243.11497	1.3
249.10194	4.5
250.11063	3.7
251.08023	1.6
251.11815	23.1
252.08907	4.9
252.12578	2.0
253.09729	7.9
253.13351	2.7
255.11252	3.9
261.12448	3.0
263.11652	1.2
264.09076	2.4
265.09729	27.1
266.10483	4.0
267.11307	14.8
278.06641	3.9
278.10370	1.7
279.11304	27.7
280.08691	0.9
280.12061	2.9
281.09396	0.8
281.12848	3.1
283.10880	3.4
284.11594	1.3
285.12354	3.3
287.10272	2.3
287.13324	0.9
291.11343	0.9
293.09235	20.8
294.10049	3.7
295.10788	17.1
297.12381	8.8
307.10843	8.3
308.11557	1.0
309.12360	7.8
310.12943	0.9
311.10336	2.6
312.11035	3.3
313.11813	20.4
324.11108	1.6
325.07950	1.7
325.11841	35.8
326.12579	1.4
327.13309	1.0
331.12936	2.3
335.10272	18.9
336.10809	1.1
337.12024	0.9
345.14542	4.5
353.11349	100.0
354.11981	4.6
355.12891	3.9
367.12726	1.6
371.12390	1.0
385.13968	13.8
387.15387	1.4
448.18793	0.8
450.20456	1.9
452.18253	1.6
466.19727	3.2
476.18228	2.1
494.19287	58.4
495.19806	1.8
526.21948	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	526.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.3
56.96568	1.0
57.03421	1.6
67.05514	5.5
69.03419	2.6
69.07068	7.7
71.16541	1.8
79.05489	3.1
81.03423	1.5
81.07066	12.1
82.07390	2.6
85.02898	3.9
85.06545	1.7
91.05471	2.6
93.07045	4.0
94.06567	7.8
94.07176	1.4
94.07265	1.2
95.04974	1.6
95.08613	7.6
97.02894	1.3
97.06497	1.0
98.97573	1.4
99.08095	3.0
105.07024	3.8
106.07349	1.0
107.08595	2.6
109.10145	3.8
110.06048	1.1
111.08029	1.3
112.07591	1.0
119.08603	1.9
120.04496	2.3
121.10152	1.3
122.06020	9.3
123.04435	1.2
123.11737	2.3
127.03896	1.7
129.11276	1.0
131.08563	0.9
133.10117	2.0
135.11653	1.2
136.07535	2.1
137.05954	1.6
137.13242	1.8
140.07065	14.1
141.01915	1.0
144.04436	1.7
145.10092	1.5
146.06020	5.6
147.11687	1.2
149.13290	2.2
150.05475	1.7
158.99565	0.9
159.11710	1.2
164.10735	1.6
172.03951	10.2
173.04704	1.3
174.05513	5.3
180.06544	1.4
190.04961	4.1
192.10194	3.7
197.10962	1.1
204.06551	8.9
206.08087	3.1
209.10733	2.5
211.08789	1.2
212.09421	3.5
216.10152	1.3
222.07890	2.2
223.12347	2.3
225.10239	9.9
226.10927	1.8
234.09026	1.2
235.08690	4.2
236.09387	7.6
237.10236	23.0
238.10872	2.3
239.07962	1.3
239.11758	3.9
249.10176	5.2
250.11020	3.8
251.07968	2.1
251.11810	24.4
252.08893	3.5
252.12433	3.1
253.09752	7.1
253.13249	2.0
255.11385	3.6
261.12491	2.0
262.18588	1.3
263.11874	1.1
264.08939	2.7
265.09720	25.4
266.10416	3.3
267.11273	17.3
277.09863	1.1
277.17960	1.1
278.06619	5.6
278.18195	2.1
279.11282	28.3
280.12021	3.3
281.09451	1.3
281.12762	3.2
283.10745	4.2
284.11429	1.5
285.12430	3.4
286.13223	1.0
289.05356	4.4
290.05667	2.5
292.08170	1.7
293.09229	21.2
294.03284	1.1
294.09940	3.9
295.10776	20.0
297.12427	7.7
303.09778	1.1
307.10754	9.0
309.12311	5.0
310.28082	1.1
311.10352	2.6
312.11084	2.8
313.11880	20.3
324.10968	1.2
325.11874	33.4
326.12411	1.7
331.12863	2.5
335.10208	21.1
337.11911	1.4
340.06244	1.1
345.14606	5.0
350.24039	2.6
353.11340	100.0
354.12146	5.4
355.12949	2.7
357.14539	1.2
371.12378	1.3
385.14026	15.9
387.15582	1.1
450.20511	1.8
452.18063	1.8
466.19781	3.1
476.18008	3.7
482.24515	4.7
488.47867	1.1
494.19269	68.9
495.19534	1.3
508.20856	1.8
526.23242	29.0
527.23303	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	8.8
55.05502	18.0
57.07079	11.9
66.97874	5.3
67.05505	39.4
69.07072	36.8
69.51100	16.6
69.51528	20.6
73.02917	5.9
79.05486	16.8
81.03413	13.5
81.07064	100.0
83.08618	16.0
85.02894	15.6
85.06561	81.3
91.05492	12.1
92.22209	7.4
93.07053	43.9
95.08619	74.7
97.02896	5.7
97.06496	10.0
97.10199	10.3
97.69514	5.1
99.08092	14.3
105.07011	18.5
107.08588	37.0
109.02914	10.3
109.10164	44.7
111.08052	10.6
111.11749	8.3
119.08611	18.9
121.10133	31.6
123.11725	34.2
124.07594	14.0
125.07967	7.9
125.09664	7.0
131.08556	9.4
133.10057	9.7
135.11690	17.8
137.13243	15.4
140.90265	6.5
141.01819	9.0
145.10188	11.5
147.11716	13.2
149.09734	5.5
149.13274	27.4
151.14827	7.8
159.11662	10.2
163.14818	10.5
177.16351	10.3
191.17982	12.6
227.19896	6.4
257.19089	10.3
279.26944	8.4
289.05405	12.1
291.26892	28.3
297.27853	17.2
309.28003	27.8
327.28867	7.8
345.29932	7.7
347.22498	6.1
349.23727	18.7
397.18210	6.9
441.17285	12.6
463.23062	6.0
481.24304	30.5
493.17990	15.3
507.22217	29.7
525.22925	98.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38957	6.4
55.05513	13.9
56.96580	9.7
57.03435	7.0
57.07062	6.4
58.37514	5.6
60.45100	6.3
63.21756	6.9
64.44673	7.1
67.05495	31.8
68.47340	6.3
69.03426	12.6
69.07081	47.8
69.27719	12.9
69.28127	59.0
74.20982	7.0
79.05476	24.9
81.07076	72.2
83.08637	10.4
85.02904	17.6
85.06550	15.4
91.05493	10.3
92.68090	6.5
93.07055	34.2
95.08636	45.9
98.97574	9.5
103.16870	7.4
105.07036	17.1
107.08608	31.8
109.10162	23.8
111.11736	8.6
113.61368	7.1
119.08601	16.6
121.10154	16.2
122.83624	6.8
123.11691	29.4
133.10085	11.4
135.11693	17.4
137.13257	18.6
137.44800	7.3
139.11168	13.1
149.13292	17.3
245.06081	7.7
289.05371	12.4
290.96591	7.8
291.26828	25.7
309.27908	29.1
349.12750	7.7
349.23920	16.4
364.28354	8.1
481.24124	14.5
507.21680	15.9
525.21191	100.0
540.95673	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	525.364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	16.5
57.07065	5.2
57.58176	5.7
65.16193	5.3
67.05501	30.3
69.03419	12.2
69.07069	28.6
69.34418	18.5
69.34841	28.6
71.04991	6.5
79.05477	22.3
81.07060	88.4
83.08605	19.8
85.02907	13.7
85.06525	22.7
91.05476	23.9
93.07035	52.7
95.08613	66.2
97.02872	6.8
97.06477	5.8
97.10148	5.5
98.20748	8.0
99.08106	18.6
100.11263	10.0
100.51352	5.6
105.07031	25.9
107.08572	35.6
109.02902	6.4
109.06496	8.0
109.10154	47.1
111.08101	9.8
119.08570	20.1
119.31385	6.0
121.10163	29.0
123.11694	24.2
125.09586	8.0
127.03904	7.9
131.08563	9.8
133.10107	15.5
135.11699	22.7
137.05974	19.2
137.13242	8.6
145.10094	8.7
149.13335	27.9
161.13341	6.1
163.14848	15.7
175.14793	5.8
177.16438	6.7
213.18373	5.4
239.08989	4.9
239.18140	6.7
250.10736	6.8
261.93253	5.9
279.26804	10.0
289.05353	15.2
291.26895	35.3
297.12042	5.4
297.27951	7.6
309.27798	25.7
314.06625	5.6
327.28897	17.3
349.24191	6.1
375.08698	10.4
377.24734	5.9
384.58530	5.8
525.21600	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.6
55.01872	14.3
55.05516	39.4
56.96559	4.6
57.03428	12.2
59.04998	14.2
61.02960	5.0
67.05511	85.1
69.03435	10.0
69.07066	23.1
71.05000	31.2
79.05068	5.8
79.05502	95.5
81.03426	69.8
81.07066	81.8
81.69670	4.0
83.04986	27.0
83.08625	33.5
85.02897	9.4
85.06535	11.9
87.04461	6.9
91.05486	93.2
93.07052	60.3
95.04985	42.1
95.08607	36.3
97.02945	5.1
97.06560	19.6
97.10174	23.6
103.05483	3.9
105.07047	56.9
107.04969	21.4
107.08606	51.1
109.06521	13.6
109.10146	25.7
111.04428	13.6
111.08078	24.4
115.05474	6.3
117.07031	17.3
119.08588	41.0
121.06516	8.1
121.10156	46.4
123.04432	5.1
123.08056	8.8
123.11760	5.3
125.05988	5.7
125.09658	21.7
129.07028	26.7
131.04984	3.8
131.08595	32.9
133.06506	9.8
133.10156	35.8
135.04405	11.9
135.08070	11.5
135.11682	11.3
137.05965	8.1
141.06877	4.9
142.07762	5.6
143.08536	7.8
145.10144	20.2
147.08095	10.2
147.11697	36.2
149.08569	4.3
149.09634	46.0
153.09129	11.3
153.12715	9.3
155.08528	4.6
157.10133	30.1
159.08067	5.0
161.05960	9.3
161.09578	5.3
163.11194	16.2
165.12759	8.1
167.10677	5.9
169.10141	3.9
171.11726	3.9
173.09598	4.9
173.97398	4.2
175.11247	29.8
181.12247	9.3
182.15439	3.5
185.13356	8.5
189.11234	17.8
189.12683	5.6
191.10638	5.4
193.12254	77.6
197.15341	9.5
199.13286	9.8
203.14389	5.4
209.11754	14.1
211.11333	7.9
211.13303	100.0
213.12709	4.0
216.04178	5.8
223.13274	3.8
225.14801	19.2
227.12779	20.8
231.13794	6.6
235.13121	5.2
249.14885	26.9
265.14035	4.9
267.15906	11.9
283.15338	12.8
287.05490	9.2
315.05060	4.5
337.21826	9.0
355.22803	14.9
365.21045	12.9
373.23544	7.8
383.22171	37.5
401.23260	34.2
415.24594	6.7
419.24399	7.6
421.25809	6.5
433.25986	20.0
451.26776	4.8
457.25812	5.0
475.10370	5.1
475.26801	27.3
489.28787	7.9
493.28033	25.7
507.29587	71.0
521.30042	4.6
525.22772	7.1
525.30670	92.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	14.0
55.01861	15.2
55.05264	4.8
55.05515	53.2
57.03428	14.8
59.04988	15.8
65.03934	4.3
67.05177	5.7
67.05511	86.6
69.03421	11.0
69.07071	26.7
70.19980	6.1
71.05003	39.7
77.30020	4.0
77.59728	3.7
79.05498	92.6
81.02991	5.5
81.03429	82.8
81.07062	72.6
83.04993	30.8
83.08629	38.4
85.02904	13.7
85.06533	9.4
87.04462	5.8
91.05487	91.0
93.07051	72.0
95.04976	46.2
95.08622	29.7
97.02896	9.4
97.06522	25.0
97.10192	19.9
98.15561	3.9
98.20911	4.1
98.97574	5.3
99.08152	6.1
105.07038	53.3
107.04957	21.9
107.08599	48.6
109.02883	4.4
109.06523	12.4
109.10160	29.4
111.04438	16.6
111.08128	20.9
117.03347	6.5
117.07028	12.1
119.08597	48.9
121.06497	15.2
121.10147	46.8
123.04465	8.0
123.08068	13.4
123.11762	6.3
125.09621	26.8
128.06270	5.5
129.07004	27.3
131.04945	8.0
131.08585	47.2
132.05681	4.0
133.06508	10.9
133.10153	45.3
135.04425	9.5
135.08067	9.5
135.11737	8.0
137.05986	9.1
137.09605	9.2
141.06966	5.5
143.08546	8.7
145.06500	5.8
145.10138	18.2
147.04568	4.4
147.08112	6.5
147.11705	41.8
149.05956	4.3
149.09637	49.3
151.11137	4.2
153.05502	4.7
153.09108	13.3
153.12773	12.3
155.08559	7.8
157.06546	4.7
157.10141	32.8
159.11681	4.9
161.05989	13.3
161.09607	6.7
161.13222	6.3
163.03893	4.9
163.11206	17.1
165.12755	9.1
167.07072	4.7
167.10695	6.4
171.11772	5.7
173.09645	4.7
175.11200	34.9
177.05377	4.3
181.12245	12.3
181.94379	3.9
185.13275	4.5
189.11179	16.0
189.12695	6.5
191.07109	4.2
191.10678	4.4
192.07806	5.1
193.12239	85.8
193.13876	7.2
199.11555	3.6
199.13341	13.8
203.14337	5.0
209.11713	13.3
211.13289	100.0
215.10818	4.8
221.15318	5.0
225.14902	23.3
227.12773	14.3
231.13907	12.1
235.13243	7.2
244.03703	8.1
249.14885	27.1
253.14398	4.9
259.05975	6.2
260.58566	3.6
267.15930	12.5
272.02969	6.2
276.64175	3.5
283.15436	11.7
287.05478	27.9
315.05090	26.0
337.21826	3.8
341.06485	7.7
347.19833	5.1
353.06598	4.3
355.22739	12.9
365.21027	13.1
371.07614	6.5
373.23657	10.0
383.22223	39.1
401.23312	36.3
415.24573	7.6
421.26175	4.7
429.26819	4.5
433.26010	26.2
438.35712	4.0
457.25775	10.6
475.10336	6.7
475.26910	34.0
489.28665	5.2
493.28082	33.7
507.12723	9.2
507.29581	72.6
525.14197	20.7
525.30750	90.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2314
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
53.03941	1.0
54.63065	0.7
55.01893	0.9
55.05507	2.0
55.90364	0.5
56.96558	1.4
57.03437	1.3
57.07068	0.7
61.02911	0.8
63.15394	0.6
67.05504	3.7
69.03436	3.2
69.07069	1.5
69.17048	6.4
71.04998	1.0
73.02921	0.9
79.05497	2.0
81.03419	2.7
81.07072	5.0
83.04977	1.2
83.08609	1.0
84.04488	0.8
85.02909	3.2
85.06542	4.7
87.00813	0.5
91.05468	2.9
93.07040	2.7
95.04952	1.1
95.08615	1.8
97.02911	1.8
97.06535	0.6
98.97600	1.1
99.04453	1.1
99.08116	4.2
105.07021	3.3
107.03746	0.6
107.08614	1.8
109.02899	2.2
109.06538	1.6
109.10184	2.0
117.06961	0.7
119.08582	3.3
121.10154	3.0
121.75383	0.5
123.04478	0.7
123.11718	0.7
123.13260	0.6
125.09637	1.2
127.03939	1.9
131.08609	1.1
133.10107	2.9
133.30756	0.7
135.08087	1.1
135.11719	0.6
137.05951	1.2
143.00150	0.7
145.10214	1.7
147.04428	1.0
147.11691	3.1
149.09641	0.7
149.13219	0.7
157.10196	1.0
158.56355	0.6
159.03053	0.7
159.07872	0.7
159.11713	1.2
161.09656	0.9
163.03848	0.7
163.11247	0.7
165.12746	1.3
169.04720	1.0
171.11682	0.8
175.11215	1.0
175.14926	0.8
181.33627	0.6
189.12662	1.0
199.14813	0.8
227.05220	0.6
245.06819	0.6
255.08943	0.7
259.20563	4.2
267.09100	0.9
273.09991	0.7
277.17862	3.5
283.15729	0.7
287.05389	0.6
305.17273	1.9
421.22052	3.5
439.23044	12.2
463.23135	5.6
481.24188	33.7
482.24673	0.8
507.15115	0.8
507.22131	14.5
507.29642	1.0
525.23169	100.0
525.30371	12.5
526.23254	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01884	1.3
55.05517	2.2
56.96579	2.3
57.03438	1.4
61.02938	1.1
65.78133	1.0
67.05513	4.7
69.03434	2.8
69.07076	2.1
69.20504	7.9
71.04966	1.0
73.02943	1.5
79.05503	2.6
79.65115	0.9
81.03445	2.2
81.07064	5.4
83.08614	1.8
85.02908	2.1
91.05488	4.4
93.07063	2.5
95.04984	3.3
95.08629	2.8
97.02930	2.2
98.97609	3.2
99.04442	1.1
105.07049	2.9
107.05003	0.9
107.08624	3.0
109.06535	1.0
115.05602	1.0
116.98603	1.4
119.08613	2.2
119.73804	1.2
121.10169	2.8
122.06077	1.1
123.11713	1.4
125.09708	1.1
127.03876	1.2
133.06480	1.3
133.10141	2.0
137.06050	1.2
145.10204	1.3
147.08037	1.6
147.11684	1.1
149.09659	1.7
157.10210	1.4
158.99683	1.9
193.12360	1.1
209.11792	1.3
211.13240	1.1
227.05473	1.1
228.97958	1.2
245.06422	3.0
252.97937	1.1
277.17932	3.5
285.10345	1.3
289.05353	5.7
295.15988	1.1
320.61172	1.0
329.61774	1.7
339.17789	2.8
359.16867	1.0
381.18839	6.6
381.50650	1.0
403.46741	1.3
416.66440	1.0
425.17981	7.6
439.20511	3.0
439.23203	3.8
442.29123	1.1
481.24277	38.8
507.29572	1.4
525.23199	100.0
525.30310	10.2
526.23798	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	525.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.6
55.01865	21.3
55.05520	42.0
56.96568	6.2
57.03428	19.5
59.04996	8.4
61.02893	5.9
65.03937	5.9
67.05510	80.4
69.03443	9.4
69.07066	28.5
71.04982	25.5
71.55022	7.5
79.05499	76.2
81.03422	71.5
81.07060	75.0
83.04984	20.7
83.08640	30.9
85.02921	25.3
85.06528	11.5
87.04478	5.7
91.05485	82.7
93.07055	69.6
95.04979	40.3
95.08627	39.3
97.02922	7.0
97.06538	16.1
97.10167	19.9
98.21555	4.7
98.97594	15.2
99.08115	6.8
105.07029	55.5
107.04971	29.8
107.08610	42.4
107.89339	4.7
109.02865	8.4
109.06488	14.9
109.10137	33.2
111.04438	16.9
111.08086	13.6
116.98638	8.9
117.07021	16.9
119.08578	43.5
121.06493	17.3
121.10160	46.2
123.04404	7.8
123.08076	8.8
125.09635	16.0
129.06999	19.2
131.04959	5.8
131.08578	38.8
133.06467	8.1
133.10153	41.0
135.04437	9.7
135.08035	6.5
135.11697	12.8
137.05972	12.2
137.09599	7.4
139.11223	6.7
141.07034	6.6
143.08542	8.4
145.06462	5.8
145.10143	13.0
147.04419	5.6
147.08038	10.9
147.11679	32.9
149.09613	41.0
150.19212	5.1
151.07570	9.5
151.11237	5.2
153.09119	6.1
153.12767	9.7
155.08458	6.2
157.02908	7.5
157.10123	23.8
159.11693	13.1
161.06007	7.3
161.09579	5.8
161.13205	8.8
163.11192	17.6
167.07076	29.8
173.09607	6.9
175.07486	5.2
175.11185	21.2
177.05363	7.4
183.11728	5.3
185.13249	5.8
189.11230	13.0
191.07065	8.4
191.10742	10.0
193.12227	67.3
199.03906	8.5
199.13254	7.3
209.11729	14.3
211.13307	90.7
225.14836	20.6
227.12775	21.8
235.13322	9.2
249.14841	20.4
267.15851	9.7
277.17603	6.0
281.04443	20.5
283.02158	6.7
283.15289	8.4
287.05457	16.4
287.43042	5.2
289.05530	7.2
309.03986	39.5
315.05072	12.0
329.06644	7.2
341.06610	89.5
353.06677	6.6
355.22733	11.6
365.21152	10.1
383.22314	30.5
401.23187	22.1
433.25937	13.2
443.07608	15.7
475.10013	11.7
475.27078	23.0
481.23798	16.0
489.28494	7.4
493.27914	26.2
495.12946	25.9
507.12921	9.7
507.29611	46.0
525.22540	53.4
525.30353	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
53.98691	0.5
55.01875	0.8
55.05519	2.4
56.96581	1.2
57.03437	1.3
57.07081	0.6
57.66298	0.5
61.02938	1.5
61.41551	0.4
67.05505	5.0
69.03445	1.7
69.07075	3.4
69.76003	2.7
71.05006	1.9
73.02930	0.9
79.05495	3.0
81.03438	1.8
81.07062	7.5
83.05002	0.8
83.08644	1.3
84.88988	0.5
85.02919	3.1
85.06558	0.9
85.41669	0.5
91.03959	0.7
91.05488	3.2
93.07054	3.8
95.01378	0.5
95.04991	1.2
95.08618	4.9
97.02936	1.7
97.06590	0.7
97.10225	0.8
98.97621	1.5
99.08126	1.1
105.07059	3.2
107.05017	0.8
107.08595	3.0
109.06576	0.6
109.10167	3.7
111.04468	0.7
111.08143	0.5
111.11728	0.8
116.98651	0.5
117.07060	1.1
117.28931	0.5
119.01949	0.6
119.08606	2.4
121.10160	2.7
123.11757	1.6
125.09718	0.8
127.00140	0.6
127.03987	0.7
131.08611	2.3
133.10161	3.2
135.11761	1.6
137.06102	0.6
137.13271	1.4
138.09180	0.5
141.01903	0.6
145.04990	0.6
145.06508	0.6
145.10184	1.9
147.04520	0.5
147.11757	1.4
149.09683	1.0
149.13264	1.2
151.07602	0.6
153.05457	1.0
157.10226	0.5
159.02960	0.8
159.07935	0.6
159.11751	1.6
161.03023	0.7
161.06091	0.6
161.13239	1.1
163.03967	0.7
163.11235	0.9
163.14975	0.7
168.09367	0.6
169.04808	1.8
171.11758	0.8
175.11331	0.6
183.11839	0.6
191.04800	0.9
191.10660	0.7
193.12311	1.1
193.24348	0.5
209.12007	0.5
211.13300	0.6
245.06277	3.7
251.11584	0.7
255.09004	0.7
257.19165	1.2
259.16711	3.4
277.17783	7.3
283.08679	0.7
289.05316	3.8
291.26938	0.7
308.73233	0.7
327.25403	0.7
349.23862	2.1
360.05487	1.0
369.19083	1.6
370.15524	0.6
411.20001	2.8
421.22299	1.8
439.23129	8.7
455.19043	0.9
463.22986	3.2
481.24133	31.2
482.24457	0.9
507.22141	6.9
507.29028	0.7
525.23230	100.0
525.30652	14.8
526.23688	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	525.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01867	1.5
55.05525	3.4
56.96584	1.5
58.62933	0.7
58.88220	0.7
59.04318	0.7
60.71608	0.7
61.02924	1.4
65.39819	0.8
67.05496	5.2
69.03445	1.8
69.07084	5.0
69.35821	0.8
71.05010	1.5
71.35556	1.1
73.02914	1.8
79.05500	4.0
81.03438	2.3
81.07066	10.7
83.05045	1.1
83.08647	2.1
85.02910	4.5
85.06565	1.7
91.05484	4.8
93.07040	5.1
95.01330	0.9
95.04987	1.7
95.08617	6.7
97.02906	1.5
97.10192	1.1
98.97617	2.3
99.08129	3.5
105.07035	5.2
107.05013	0.7
107.08642	3.2
109.02930	1.0
109.10146	5.6
111.04498	1.0
111.08148	0.8
111.11758	1.1
117.07021	1.8
119.08627	3.1
121.10180	3.0
122.06068	0.9
123.08044	1.1
123.11718	1.9
124.70381	0.8
125.09621	1.0
127.03936	1.0
131.08617	3.1
133.10190	2.8
135.04483	1.0
135.11708	1.4
137.06039	0.9
137.13297	1.6
139.11261	1.0
141.01862	1.3
143.08614	1.1
145.10211	2.5
147.11708	1.8
149.09639	1.1
149.13303	1.8
151.11263	1.0
157.10191	1.2
159.03033	1.0
159.11745	2.0
160.05803	0.7
173.13333	1.4
175.11247	1.1
193.12247	1.0
203.05547	0.9
211.24388	0.7
223.20651	1.6
226.11089	0.9
237.02635	1.0
241.21745	1.1
243.04942	1.0
245.06511	2.9
251.11459	0.9
257.19138	2.6
259.16885	3.6
264.12320	1.2
277.17795	11.2
277.20355	0.9
289.05215	4.4
349.23550	3.7
356.65674	0.9
360.06122	1.0
370.15350	1.0
393.75168	0.8
421.22354	2.2
439.23123	15.2
463.23285	1.5
481.24118	48.6
507.22186	2.5
525.23169	100.0
525.30670	15.1
526.23438	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02419	1.6
53.03953	3.2
55.05518	12.8
57.03445	12.7
57.07074	3.7
59.04993	4.0
62.97702	1.4
65.03949	3.2
67.05513	100.0
69.07085	11.0
70.94370	3.0
70.94728	2.3
71.04996	3.9
79.05501	25.4
81.07071	40.1
83.08615	9.0
85.06538	4.2
91.05505	16.8
93.07059	26.0
95.04982	1.6
95.08058	2.2
95.08622	27.5
97.06561	1.6
105.07054	7.4
107.08603	10.6
109.10173	69.8
117.07022	3.3
119.08601	10.0
121.10166	10.6
123.11701	4.0
131.08586	5.4
133.10149	5.2
135.11748	8.2
137.09586	3.6
145.10164	2.2
147.11699	3.1
149.13264	4.6
155.10619	7.6
159.11772	2.6
161.13319	1.8
163.14911	2.4
165.12791	1.8
173.11792	21.3
173.13283	3.9
187.14873	2.0
193.25200	1.7
227.12770	2.4
229.14372	75.5
243.21049	3.9
261.22165	12.7
317.24915	2.7
335.25833	77.2
336.26208	2.0
489.35794	44.9
524.40894	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	5.9
64.27959	0.6
71.53445	1.3
71.95265	1.7
86.07302	0.6
98.97592	98.7
116.98627	50.1
116.99844	0.8
131.00285	0.6
134.99675	15.1
153.00714	0.8
174.97571	0.7
183.19220	0.7
183.80911	0.7
214.95721	0.7
216.98871	2.4
219.02165	1.1
232.96808	1.1
234.96359	1.0
234.99930	4.3
240.98715	9.3
241.00674	0.8
256.96713	2.6
258.99826	100.0
260.00076	3.0
261.00348	1.2
261.02939	3.5
264.98953	1.0
274.97714	7.5
275.97989	2.1
277.00870	89.0
278.01074	2.1
279.01144	0.9
282.01373	2.3
283.00021	22.8
284.00153	2.6
285.00162	1.0
292.98752	2.0
298.61417	0.9
298.97824	6.8
299.97906	1.6
300.02380	1.6
300.97818	1.0
301.01062	20.3
302.01215	2.8
303.00885	0.9
316.98892	7.8
317.99002	2.3
318.98611	1.4
319.02185	0.7
322.97711	0.7
324.02829	0.8
340.99164	2.0
359.00098	10.0
360.00290	0.9
364.99258	1.4
382.99933	30.6
384.00220	2.1
401.01059	97.3
402.00998	4.6
403.01212	1.1
415.02930	0.7
416.98810	1.6
419.02380	9.1
424.02573	3.6
425.01440	2.9
440.98901	2.8
441.99017	1.7
443.02280	5.4
444.02286	0.9
458.99799	3.0
460.00336	1.7
483.05621	1.2
500.97995	1.2
507.00180	6.0
525.01282	49.9
526.01288	2.8
542.98615	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	523.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.0
55.01878	2.4
55.05524	14.2
57.03441	19.9
57.07081	51.6
58.70333	1.8
62.48895	1.7
65.03951	2.2
65.69787	1.9
67.05510	30.8
69.03436	2.6
69.07074	15.0
69.20013	8.2
69.20445	9.4
71.05010	3.1
71.08640	32.6
78.25669	1.7
79.05495	15.3
81.03426	97.6
81.07067	32.6
82.25182	1.8
83.04971	6.0
83.08622	30.3
85.02908	8.1
85.06590	2.7
85.10188	19.3
91.05485	21.9
93.07044	12.1
95.04982	28.6
95.08612	36.2
97.02925	2.3
97.10169	7.9
98.98576	1.8
105.07040	15.9
107.04949	4.3
107.08614	4.8
109.06542	3.8
109.10165	13.3
111.08087	8.0
111.11710	2.0
115.05428	2.6
117.07020	2.0
119.08600	15.4
121.10150	5.6
123.08092	2.2
123.11712	5.7
129.07014	8.4
131.08565	11.1
133.06522	4.0
133.10159	4.9
142.07753	2.3
143.09081	1.7
145.10074	2.1
147.08057	3.9
147.11717	9.3
149.09616	4.7
157.10117	13.7
159.11719	2.1
165.12813	3.7
175.11192	13.3
193.12257	62.8
211.13313	23.1
234.23312	2.0
239.23767	8.8
249.14798	3.8
267.15933	100.0
298.62674	1.8
313.27377	94.5
368.26675	1.9
427.08112	1.7
505.38986	49.2
523.39978	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	524.3717
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05510	0.6
56.05027	1.3
57.07084	2.7
58.06583	1.6
59.07391	0.4
60.08169	18.0
67.05496	0.8
69.07065	0.9
69.19923	3.1
71.07380	7.3
71.08640	1.8
81.07052	1.0
83.08620	0.4
83.36040	0.3
85.10181	1.0
86.09712	51.5
95.08598	1.2
97.10209	0.4
98.98470	3.8
104.10752	100.0
105.11060	0.4
109.10162	0.7
125.00017	30.0
127.11428	0.3
141.63417	0.3
143.01085	0.3
163.01567	0.5
181.02696	0.4
184.07352	94.9
193.12117	0.4
224.81973	0.4
226.02454	0.3
258.11093	0.8
341.30487	1.4
506.36105	9.4
524.37170	30.4
525.37384	0.7
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
53.03967	2.9
55.01881	3.4
55.05516	20.5
57.03455	8.7
57.07085	48.6
62.40317	1.3
63.10625	1.5
65.46513	1.5
67.05511	37.3
69.03434	4.1
69.07082	17.5
69.77013	1.4
71.05006	5.1
71.08638	33.5
72.33075	1.4
79.05505	19.9
81.03427	47.7
81.07069	43.0
81.07523	3.0
83.04984	7.5
83.08629	32.2
85.02918	27.7
85.06583	1.5
85.10197	19.3
91.05489	23.6
91.06006	1.7
93.07056	12.8
95.04985	18.6
95.08617	37.1
97.02957	1.8
97.10181	8.0
105.07037	16.0
107.04983	5.9
107.08645	6.8
109.06503	3.1
109.10174	13.4
111.04455	3.4
111.08079	8.7
119.08601	14.8
121.06527	3.0
121.10162	7.6
123.11767	6.4
129.07057	5.9
131.08569	9.8
133.06531	3.2
133.10165	6.6
136.93105	2.4
137.13338	2.9
145.10197	2.0
147.08136	1.7
147.11697	10.5
149.09694	4.3
154.94211	4.7
157.10194	10.4
165.12856	2.7
172.95277	6.0
175.11185	14.3
181.01460	4.4
193.12253	57.4
199.02472	3.9
210.97794	2.6
211.13312	48.2
211.15251	2.8
223.06142	6.5
239.23787	8.9
249.07455	1.4
267.08673	4.0
267.15921	12.0
313.20465	1.6
313.27350	10.9
326.77814	1.7
411.18118	2.7
455.20810	3.4
467.20602	1.7
493.87701	1.5
505.39264	6.3
513.88275	1.7
523.23895	4.4
523.40192	100.0
524.40851	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	523.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	6.8
55.05505	19.0
57.03439	18.5
57.07084	55.5
64.35754	5.3
67.05511	37.9
69.07088	12.8
69.90330	32.9
71.08643	33.1
73.99254	5.2
75.61990	5.6
79.05495	18.4
81.03423	100.0
81.07044	44.6
83.04981	7.6
83.08627	30.9
85.02912	7.8
85.10198	21.8
91.05499	32.8
93.07051	17.8
95.04971	29.8
95.08620	39.4
97.10168	17.0
98.20792	6.3
104.26122	6.6
105.07045	19.5
107.08562	8.5
109.10162	13.2
111.08103	10.5
119.08606	23.1
128.44754	6.5
131.08580	16.6
147.08080	8.6
147.11703	15.6
149.09637	11.9
157.10159	13.0
175.11217	10.3
184.07416	17.6
193.12218	70.9
211.13255	15.2
239.23784	8.4
267.15906	79.4
283.59705	5.8
313.27441	88.4
505.39133	42.1
523.25470	85.7
523.39368	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	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.05517	15.9
57.07079	51.6
59.07367	1.4
66.35887	1.4
67.05510	44.5
69.07072	25.3
69.42074	3.1
69.42472	11.0
71.04997	3.3
71.08637	35.2
79.05495	14.8
81.03426	3.5
81.07063	100.0
82.21206	1.4
83.04979	5.4
83.08624	24.0
85.06542	5.5
85.10186	24.2
91.05488	20.6
93.07053	12.5
95.04952	4.0
95.08612	48.0
97.06545	5.4
97.10194	7.8
99.08089	3.6
105.07034	32.8
107.08600	12.8
109.06511	1.8
109.10168	15.3
119.08584	24.9
121.10164	22.1
123.08104	3.6
123.11727	34.7
127.07563	2.2
137.13225	3.6
141.09087	2.0
147.11700	71.5
165.12779	35.3
175.11292	1.8
183.13844	5.7
193.12265	3.0
211.13206	1.9
229.14343	9.6
239.23685	7.5
267.15921	47.9
275.29248	1.6
313.27341	3.4
350.17007	1.4
366.79385	1.6
394.60959	1.5
523.40002	96.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26715	5.5
55.05498	19.3
57.03429	24.0
57.07080	59.0
60.08157	17.2
61.06247	5.6
67.05515	40.0
69.07064	17.5
70.85258	5.3
71.08640	32.9
77.09019	5.7
79.05488	16.4
80.53738	5.8
81.03430	100.0
81.07059	32.7
83.04980	11.0
83.08618	34.6
85.10181	20.8
86.09710	43.4
86.76215	6.1
91.05474	24.1
93.07037	15.8
95.04977	35.4
95.08595	29.8
97.10194	11.3
98.21556	12.1
104.10756	85.4
105.07026	18.1
105.18432	5.5
109.10159	19.7
111.08085	11.9
119.08566	15.4
121.10176	11.5
123.11662	9.2
125.00014	31.6
129.07001	12.0
131.08607	7.5
133.10068	7.9
145.91077	6.0
147.11665	8.7
152.98030	6.3
157.10086	7.2
175.11217	7.2
184.07353	72.1
193.12260	68.4
211.13281	13.7
229.27011	8.2
259.46970	6.4
267.15921	95.6
273.48697	5.8
313.27386	85.0
500.46548	6.4
505.38959	49.0
506.35941	6.9
523.39337	22.0
524.36908	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	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67765	1.0
53.03939	2.7
53.08056	1.1
55.01861	3.0
55.05265	1.4
55.05513	17.5
57.03448	8.0
57.07080	46.2
65.03933	1.5
67.05508	32.3
68.59129	1.1
69.03419	4.0
69.06773	1.2
69.07072	12.8
71.04989	5.2
71.08633	32.6
79.05495	22.2
81.03420	43.9
81.06583	2.5
81.07058	43.7
83.04990	10.2
83.08146	2.6
83.08619	29.5
85.02905	25.5
85.06520	1.7
85.10181	16.7
85.24841	1.1
91.05487	24.0
93.07055	13.8
95.04971	17.9
95.08611	38.4
97.02918	1.8
97.06535	2.9
97.10168	9.2
98.20776	4.6
99.08086	2.3
105.07037	17.2
107.04958	3.6
107.08592	6.4
108.07135	1.1
109.06494	3.3
109.10166	19.0
111.04445	1.7
111.08076	6.9
111.11730	1.8
113.06001	1.9
115.24247	1.1
117.07056	1.6
119.08595	14.8
121.06540	1.7
121.10137	9.0
123.08055	2.4
123.11716	8.8
129.07008	8.3
131.08554	7.3
133.06512	2.7
133.10115	7.2
135.11723	2.0
137.13185	1.2
142.07784	2.5
143.08553	1.4
145.10158	2.0
147.08086	1.9
147.11691	10.1
147.56209	1.1
149.09610	6.3
155.08606	1.7
157.10139	9.7
165.12837	2.0
167.35893	1.1
175.11214	11.1
193.12254	43.7
200.82838	1.3
211.13290	48.5
211.15279	2.6
220.52150	1.4
239.23663	5.6
255.33630	1.3
267.15955	9.9
313.27393	7.9
332.34912	1.3
505.38925	3.7
523.39972	100.0
524.40283	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.05518	16.3
57.03433	5.2
57.07078	43.1
58.72143	1.2
65.03935	2.0
67.05508	33.2
69.03433	2.8
69.07065	12.9
71.04993	3.7
71.08639	30.9
79.05500	19.3
81.03423	43.7
81.07061	36.0
83.04990	6.6
83.08622	28.4
85.02911	20.9
85.06531	2.8
85.10191	18.6
91.05493	23.3
93.07053	12.9
95.04977	16.5
95.08616	31.4
97.02887	1.5
97.06523	2.5
97.10160	7.8
105.07036	16.8
107.04990	4.0
107.08607	4.3
109.06543	5.1
109.10160	17.0
111.04440	2.5
111.08067	6.5
115.05511	1.5
119.08589	14.7
121.06492	1.8
121.10159	7.9
123.08109	1.8
123.11701	8.3
125.13293	1.4
129.06990	5.8
131.08566	8.0
133.10114	6.1
137.13272	1.4
145.10123	1.7
147.07953	1.3
147.11684	10.7
149.09666	3.5
157.10129	8.7
165.12740	2.9
175.11179	12.1
193.12253	49.8
211.13306	47.8
211.15277	2.7
221.22568	1.7
239.23660	6.5
267.15857	8.2
276.31812	1.2
313.27374	10.3
453.57904	1.4
505.38904	5.1
523.40045	100.0
524.40076	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	523.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.3
55.01872	8.8
55.05511	78.8
57.03431	12.6
57.07084	18.5
59.04993	4.3
65.03945	3.6
67.05511	95.4
69.03425	9.1
69.07080	27.0
71.08631	10.2
79.05498	66.5
81.03428	16.8
81.06583	6.2
81.07060	100.0
83.04989	8.8
83.08626	50.1
85.06533	5.5
85.10210	4.7
89.81020	3.2
91.05486	36.5
93.07053	59.2
95.04961	8.6
95.08611	62.3
97.06525	6.4
97.10174	93.3
105.07044	28.2
105.07642	4.9
107.08598	58.7
108.03371	3.6
109.10167	26.3
111.08070	7.6
117.07018	12.3
119.08601	17.4
121.06488	8.8
121.10141	27.5
123.11691	12.8
125.09637	72.5
129.06949	4.6
131.08575	19.8
131.51503	3.5
133.10141	17.4
135.08046	13.0
135.11681	17.8
137.13303	4.0
145.10135	9.2
147.11667	12.8
149.02411	4.7
149.13293	15.8
151.89908	3.2
153.09102	6.6
157.10117	3.7
159.11697	8.8
161.13255	9.5
163.14845	6.1
167.03372	4.1
171.10201	8.7
172.32507	3.7
173.13289	8.9
175.11171	4.4
175.14868	5.9
177.01872	4.0
189.11249	62.1
189.12886	2.6
193.12228	12.4
196.18628	3.4
211.13295	4.6
217.05014	5.0
227.12819	73.3
239.23648	3.7
243.21033	14.3
245.13867	79.4
261.22180	59.1
267.15878	12.3
279.23065	4.7
313.27368	12.4
317.24683	16.7
335.25842	59.3
413.30322	6.6
431.31854	4.7
449.19308	8.8
487.34195	10.3
505.34219	20.2
523.35889	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.7
55.05508	17.6
57.07073	6.9
67.05505	35.5
69.07079	31.3
69.64408	17.5
69.64823	12.6
71.04971	5.5
79.05478	22.4
81.07063	100.0
83.04961	7.1
83.08614	11.5
85.02908	10.9
85.06551	19.6
91.05478	17.0
93.07051	46.6
95.04997	7.1
95.08614	77.0
97.06557	5.1
97.10181	9.3
99.08091	19.1
105.07027	40.2
107.04987	4.9
107.08607	44.7
107.56109	5.1
109.06503	5.4
109.10175	46.7
111.11671	7.5
117.07003	5.5
119.08588	24.5
121.10162	36.6
123.11698	21.8
125.09610	5.0
131.08524	8.3
133.10130	20.1
135.11679	25.7
137.05997	36.0
137.13274	8.4
139.11209	6.3
145.10132	14.3
147.11674	20.8
149.09517	5.2
149.13243	16.9
159.11696	9.3
161.13257	11.9
163.14801	9.8
165.12704	7.9
173.13295	8.0
175.14815	7.2
177.16382	14.1
189.16460	10.3
195.17432	8.0
212.76320	4.1
213.18533	14.5
271.24234	8.1
277.25363	5.5
289.25381	23.9
295.26318	11.1
307.26297	33.9
325.27466	9.5
450.15274	5.4
523.20972	13.4
524.20007	7.8
525.86914	5.2
533.28149	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	523.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23372	3.2
53.03944	8.2
55.01872	9.2
55.05515	86.5
57.03438	18.2
57.07078	18.3
57.89720	3.2
61.16862	3.7
64.23034	2.7
67.05508	99.0
69.03422	10.1
69.07069	25.9
69.82439	6.0
69.82833	7.9
71.08623	10.6
79.05067	5.5
79.05498	69.0
81.03422	19.2
81.07065	91.9
83.04977	8.6
83.08621	50.8
85.06538	6.0
85.10172	3.0
89.06010	3.2
91.05492	36.4
93.07053	72.8
95.04981	11.9
95.08615	62.6
97.06541	7.4
97.10178	100.0
101.07105	3.1
105.07043	22.3
107.04968	6.0
107.08609	61.0
109.06544	3.1
109.10164	38.6
111.08055	8.4
117.07012	12.7
118.11037	2.8
119.08572	21.8
121.06514	5.5
121.10135	27.2
122.54678	3.1
123.08102	3.3
123.11732	15.3
125.09644	78.7
129.07024	4.9
131.08565	13.2
133.10158	14.4
135.08066	11.4
135.11723	23.2
137.13275	5.5
143.10666	3.3
145.10126	11.9
147.11693	11.6
149.02325	4.3
149.09605	4.2
149.13246	10.6
151.11136	4.1
153.09105	4.1
153.12787	3.8
157.10155	5.0
159.11678	6.3
161.13258	9.1
161.54086	2.9
163.14832	10.1
167.03391	5.9
171.10214	4.7
173.13293	7.7
175.14854	3.5
187.14883	7.0
188.31685	3.0
189.11220	69.0
189.12888	4.1
193.12256	8.8
211.13254	3.8
217.04878	4.9
227.12802	67.4
230.63118	3.1
233.22697	5.1
243.21091	9.6
245.13879	89.5
250.28032	3.4
261.22165	71.7
267.15869	14.1
269.08069	3.1
279.23288	5.7
313.27298	12.3
317.24860	9.8
335.25870	52.2
365.09811	3.8
387.22290	2.8
431.31442	7.3
449.19196	7.6
467.20413	4.0
487.33987	9.0
505.26141	5.1
505.35236	21.9
523.35229	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	523.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	16.0
56.96569	9.6
67.05515	37.1
69.03445	9.3
69.07079	45.3
70.57113	8.1
71.04966	8.5
71.15912	12.4
79.05500	18.0
81.07065	100.0
83.08620	15.2
85.02927	14.0
85.06557	41.3
91.05476	27.8
93.07053	37.3
95.08627	79.7
97.10184	9.5
98.97606	53.2
105.07051	23.7
107.08588	23.5
109.06538	7.5
109.10162	61.3
110.97547	10.1
111.11738	18.8
116.98640	13.0
119.08603	16.5
121.10161	30.2
123.11720	27.3
124.11261	7.0
131.08543	8.8
133.10146	10.7
135.11691	23.5
137.06003	23.5
137.13226	10.4
145.10112	9.3
147.11716	9.3
149.13252	22.3
158.99678	11.6
159.11722	11.4
168.03404	10.0
179.07054	9.9
189.00719	11.5
199.06538	8.5
201.00847	11.0
203.18057	10.1
217.89557	7.2
219.01886	8.0
229.07510	46.5
247.08569	25.3
249.02876	17.5
271.24323	11.0
277.25375	10.1
289.25296	18.7
291.03821	22.8
295.26312	23.8
307.26468	39.6
361.08984	19.5
403.12802	46.5
455.33514	8.0
523.21393	21.5
523.28363	14.5
524.20459	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	523.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.0
55.05515	15.4
67.05499	18.7
67.62386	5.5
69.03400	8.7
69.07071	33.4
69.37019	6.4
70.23463	13.2
70.23846	16.0
71.04995	11.5
77.78123	6.6
79.05484	19.6
81.03366	8.2
81.07067	100.0
83.04974	15.1
83.08613	12.8
85.02896	18.5
85.06526	11.3
91.05481	18.1
92.37515	6.6
93.07037	34.7
95.04974	14.4
95.08630	51.9
97.06526	7.3
97.10143	5.8
105.07021	21.4
107.08569	29.5
109.10168	40.3
119.08573	16.8
121.10131	25.7
123.11703	22.5
126.59878	5.9
127.11243	7.2
128.67679	6.2
135.11673	27.6
136.86772	6.8
137.06023	9.6
137.13255	19.1
145.10120	8.8
147.11705	13.8
149.13292	13.6
164.15395	6.3
165.12807	6.4
165.36012	6.6
181.12219	7.3
184.52252	6.2
251.19987	7.0
257.18930	8.2
277.25229	7.6
289.25275	9.1
307.26270	19.1
325.11600	6.4
325.27386	9.1
327.13297	9.7
339.13235	11.0
340.94940	7.8
367.12964	14.5
492.20786	13.1
523.17480	8.5
523.20837	7.9
523.32062	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	523.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	11.2
55.05509	9.0
57.07082	25.8
67.05513	31.5
68.81165	3.3
68.99796	11.1
69.03428	3.7
69.06725	5.1
69.07078	69.2
71.08639	15.1
71.55759	5.0
73.06585	7.7
79.05502	19.0
81.07059	63.9
83.04969	6.5
83.08611	13.0
83.56963	3.2
85.10190	9.1
91.05476	23.1
93.07055	24.7
95.04964	6.3
95.08616	45.9
97.10175	6.7
99.70762	3.3
103.05489	19.0
105.07034	28.3
105.07645	4.4
107.04961	15.1
107.07152	3.7
107.08594	13.9
109.06529	11.9
109.10161	14.2
111.61184	3.1
113.93935	3.5
115.05455	5.7
117.07015	9.9
119.04945	5.5
119.08577	19.5
121.06519	52.7
121.10153	12.4
123.08067	24.0
123.11729	16.9
125.93417	4.0
129.06956	4.1
131.04929	37.9
131.08598	6.0
133.06528	31.4
133.10152	6.4
135.08072	6.8
137.06046	5.1
139.74541	3.5
145.06500	13.7
147.04422	19.3
147.08069	3.4
147.11705	28.5
149.05995	35.0
149.13222	3.6
151.00304	5.9
151.07605	7.3
151.14880	6.2
155.06990	3.5
157.06509	12.4
159.04420	63.2
159.08023	4.6
161.06046	4.7
161.13309	12.1
165.01888	5.8
165.12793	17.4
169.01341	23.0
171.04428	14.4
173.05989	20.4
175.03897	4.9
175.07487	3.6
175.11191	5.7
177.05493	37.7
177.12807	3.7
179.07060	11.5
179.08578	12.6
181.01305	3.7
182.07216	5.3
182.73288	3.9
183.02870	8.9
187.07539	7.0
187.11205	4.6
189.05399	17.0
189.12741	27.2
191.07057	7.3
193.01419	4.6
193.04924	5.6
193.08556	3.9
197.09627	10.0
201.05467	8.1
203.01767	4.0
205.04964	15.2
207.06485	19.5
215.10683	100.0
217.04945	31.4
217.12015	3.4
219.06564	20.0
223.05986	7.2
225.07597	6.5
229.05049	3.8
233.04459	15.5
235.06030	79.7
235.13361	6.9
237.07607	10.6
239.09100	10.3
239.23836	4.1
247.06018	10.8
249.07564	27.4
249.14883	11.9
251.09210	5.6
257.11682	18.6
261.08011	3.4
265.04807	5.2
265.07288	7.2
267.08588	29.4
267.16046	19.3
275.12726	8.7
277.14423	4.4
279.08719	4.3
283.05658	4.5
283.08298	6.0
285.11240	5.2
291.16019	21.3
293.13943	3.9
297.09793	10.8
303.12296	13.8
307.15289	5.8
310.36301	3.3
313.27359	6.7
335.14886	12.2
339.12326	11.9
353.15994	21.6
395.18646	31.9
405.16949	15.0
437.19766	11.8
463.24722	8.9
523.25409	11.4
523.40179	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	522.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.1
56.05024	1.8
57.07070	1.2
57.51597	0.5
58.06585	1.2
60.07882	1.0
60.08166	17.3
62.17473	0.5
63.91898	0.5
67.05497	2.0
69.07069	2.0
69.28960	0.5
70.98920	1.1
71.07368	6.8
79.05494	1.1
81.07047	2.2
83.08616	1.5
86.09709	51.2
95.08594	1.4
98.98476	4.2
104.10748	98.4
107.08602	0.7
109.10170	1.2
121.10194	0.7
125.00013	31.0
125.88750	0.5
162.01698	0.5
163.01567	0.6
184.07347	100.0
247.05814	0.7
252.05350	0.5
272.02231	0.5
308.39575	0.6
339.28995	1.6
504.34473	9.0
508.23199	0.5
522.35516	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	523.2698
Annotation	Netzahualcoyol
Peak:m/z	Relative Intensity
54.69559	1.9
55.01884	13.3
67.05505	5.3
69.07075	73.8
71.95042	2.0
74.13776	2.3
79.05470	3.3
81.03394	1.9
81.07057	9.3
91.05456	5.7
93.07029	2.4
98.21585	4.4
103.04889	2.4
103.05486	24.0
105.07027	3.5
109.06528	4.6
115.05477	2.9
117.07025	3.1
119.04925	3.8
119.08603	2.6
121.06497	4.1
129.06958	4.7
131.04959	40.6
133.06493	6.7
135.04456	2.4
135.08047	2.5
137.05991	7.0
141.06969	3.0
145.06487	9.3
147.04414	15.3
147.08093	2.4
149.06013	5.1
151.00314	2.9
155.04935	2.5
155.07068	2.4
155.08542	2.2
157.06499	22.4
157.10101	2.5
159.04427	56.3
159.08060	2.8
161.06085	4.2
169.01317	5.1
169.06480	5.0
171.08060	4.1
173.06007	16.1
173.09619	6.7
175.11197	4.6
177.04033	3.9
177.05479	40.0
179.08513	13.6
181.01314	2.6
181.06522	7.8
182.07283	3.1
183.04466	3.4
185.09581	2.9
187.11206	5.4
189.05455	2.6
189.09212	2.7
197.05942	4.6
197.09673	19.1
201.05513	5.7
203.06964	2.6
207.06529	4.8
209.06024	8.7
211.03944	5.1
213.05492	4.8
215.10706	100.0
217.05089	4.4
219.06557	5.0
221.08005	4.6
225.05530	4.7
225.07553	3.1
235.05937	4.8
237.05487	19.3
238.06148	3.9
239.03473	5.3
239.09059	3.5
241.15872	2.4
247.05835	2.6
253.04927	4.0
257.11722	4.5
257.61691	2.3
263.07187	3.2
265.04971	16.6
266.05948	2.5
267.06140	2.4
267.08551	2.9
267.10416	5.3
281.04443	5.1
289.14636	2.4
291.06442	2.6
293.04553	20.4
293.11700	3.8
295.09723	4.7
307.09583	3.7
307.15329	2.5
309.16806	2.7
315.16006	3.0
321.11209	32.4
323.16547	2.7
325.07175	2.8
339.12170	5.5
349.10626	9.8
361.18130	2.4
377.17508	7.2
381.13358	20.4
383.41364	2.1
389.17380	4.3
395.18494	4.2
399.14474	5.9
405.17004	17.1
407.18591	6.3
417.16736	3.8
429.24026	2.1
437.19760	9.7
445.23398	2.3
455.20694	18.4
463.14584	2.4
467.20532	3.1
473.23068	4.5
477.26297	16.7
523.27039	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	522.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.3
56.05036	0.5
57.03444	0.3
57.07085	0.3
57.41515	0.2
58.06617	0.4
60.08167	6.2
67.05503	0.5
69.07067	0.6
70.94183	0.4
71.07376	2.9
71.89145	0.2
73.58123	0.2
79.05527	0.2
81.07088	0.5
83.08650	0.3
86.09711	31.6
95.08614	0.5
97.10169	0.3
98.98464	2.9
104.10747	3.2
109.10152	0.3
115.69070	0.2
125.00014	22.2
139.50314	0.2
150.66534	0.2
177.36411	0.2
184.07349	100.0
185.07658	0.6
220.60835	0.3
433.35367	0.2
504.34433	1.1
522.35388	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	522.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.9
55.05520	2.1
57.03445	6.8
59.05010	1.0
59.86518	0.9
61.02925	1.8
64.96246	0.7
67.05495	3.3
69.03436	15.9
69.07063	3.0
69.50631	3.0
69.51054	2.8
70.06597	3.0
71.01361	1.0
71.04995	3.1
73.02921	6.7
79.05490	3.0
81.03426	1.5
81.07066	9.3
82.07406	1.4
83.08617	1.0
85.02915	14.0
85.06560	0.9
87.04491	8.8
91.05489	6.3
93.07059	11.3
95.04979	2.0
95.08607	7.8
97.02906	18.3
98.20650	1.0
99.08070	1.2
105.07047	7.4
107.08615	15.7
109.02849	0.8
109.10178	2.9
115.03947	21.9
117.07068	1.2
119.08600	24.6
119.09464	1.2
120.08133	0.8
120.20097	0.8
121.10148	2.7
123.08058	0.8
123.11739	5.0
127.03917	2.8
131.08536	1.3
133.04997	19.2
133.10149	52.4
135.11714	52.0
137.06000	2.2
137.09644	2.7
141.65385	0.9
141.70671	0.7
145.04976	3.2
147.11688	3.9
150.07620	1.4
151.11104	1.0
173.13203	0.9
175.14847	100.0
176.15038	1.4
193.15909	69.8
194.16193	1.4
211.16957	61.5
212.17165	1.0
215.95753	1.0
221.15234	1.0
223.05928	1.0
229.15431	1.3
241.07082	1.5
244.30617	0.8
257.17471	1.2
259.08017	1.4
295.10291	2.2
359.76630	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91060	13.2
55.01854	16.5
55.05494	31.7
56.96567	27.1
61.02913	11.6
67.05493	31.8
69.03419	47.2
69.07065	33.6
69.81908	43.1
69.82321	30.3
71.04990	22.2
79.05479	32.3
79.34326	12.3
81.03413	37.4
81.07042	100.0
83.08648	13.9
85.02907	72.3
87.04460	18.3
91.05489	37.5
93.07037	51.9
95.05012	20.6
95.08600	51.2
97.02884	33.9
98.97562	26.0
105.01836	21.0
105.07029	56.5
107.08596	52.7
109.02885	29.0
109.10125	47.5
111.04456	14.8
117.16785	12.7
119.08582	56.5
121.10136	31.1
123.11662	20.9
125.09674	15.9
127.03921	34.5
127.11235	14.1
131.04948	17.2
133.10127	47.1
135.11722	66.9
137.05981	49.5
145.04953	20.9
147.11737	21.0
149.09616	12.8
149.13303	21.2
161.05983	12.8
161.13271	18.2
167.07024	13.7
203.18013	51.1
221.19025	45.3
230.12662	12.7
264.64972	12.9
273.15244	13.3
391.85147	14.8
511.35260	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	522.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67112	0.7
55.05505	2.9
55.53291	0.7
56.35499	0.7
57.03449	6.8
57.07071	1.0
59.04980	1.5
61.02924	1.7
61.18954	0.7
61.75302	0.7
65.03950	1.0
67.05489	3.2
69.03078	1.2
69.03435	16.3
69.07069	4.2
70.66096	1.1
70.66434	1.3
71.05013	3.5
73.02921	6.8
78.48354	0.8
79.05500	5.1
81.03407	1.5
81.07066	7.3
83.04987	1.0
83.08614	1.9
85.02907	15.6
85.06576	1.9
87.04475	9.4
91.05496	6.0
93.07053	11.8
95.04949	0.8
95.08622	9.7
97.02898	19.2
97.06534	1.2
99.04468	1.0
99.08080	1.3
104.07102	1.8
105.07037	10.7
107.05009	0.9
107.08606	20.4
109.02902	1.2
109.06523	1.9
109.10157	4.6
115.03941	19.0
119.08593	29.5
121.10149	3.7
122.02751	1.3
123.08099	1.5
123.11737	4.8
127.03938	3.5
131.08531	1.6
133.04984	14.0
133.10143	54.7
134.10416	0.9
135.11702	58.9
137.05980	2.2
137.09602	3.4
145.04968	3.8
145.10164	0.8
147.11697	6.0
149.09671	1.0
149.13280	1.0
150.07629	1.9
151.11154	1.1
163.06154	1.0
163.11162	1.1
165.12691	0.9
175.14839	100.0
176.15154	1.3
185.13243	1.6
193.15895	68.2
203.14293	1.1
203.17982	1.2
211.16949	64.5
221.15402	4.9
239.16472	2.4
257.17419	4.0
342.20978	0.9
523.21490	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.5
55.01858	2.6
55.05513	13.6
56.96548	2.6
57.03431	4.2
57.07078	3.6
58.17644	1.9
59.05009	9.1
60.00754	1.8
60.89720	1.9
65.03928	2.8
67.04920	1.9
67.05503	16.4
69.03437	11.6
69.06729	2.6
69.07073	41.2
69.41785	13.6
71.04972	5.8
73.02915	3.5
79.05502	21.7
81.03417	4.7
81.07063	100.0
83.08640	9.0
83.11025	2.0
85.02923	14.0
85.03351	2.2
85.06565	2.5
87.00822	2.1
87.04453	4.1
91.05489	12.7
93.07059	29.8
95.04944	3.4
95.08611	37.5
97.02879	8.3
97.06519	5.2
97.10168	3.4
98.97585	2.7
99.04468	2.0
103.05399	2.2
105.01861	4.1
105.07042	30.7
107.08602	34.7
109.06509	6.1
109.10165	33.8
111.08099	3.7
111.11701	4.7
112.36799	1.8
115.03941	5.6
119.08592	33.2
121.09328	2.2
121.10163	26.5
123.08051	2.8
123.11723	24.3
123.13082	2.4
125.09611	6.5
127.03912	6.4
131.08640	2.2
131.43571	2.3
133.04955	8.0
133.10146	22.1
135.11719	12.7
137.05975	6.0
137.09618	4.0
139.11185	2.4
145.04932	4.9
145.10109	3.6
147.11696	28.6
149.13257	20.3
153.12744	6.9
161.13248	7.9
163.14806	9.5
165.12730	12.7
175.14812	7.0
199.52158	1.7
199.53951	2.1
203.17947	35.4
221.19032	42.6
221.21083	3.8
239.20036	3.6
257.30630	2.4
258.00180	3.7
297.10760	2.2
360.06995	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	522.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.3
54.16705	2.8
55.01860	3.4
55.05503	12.0
56.96561	4.8
59.54974	3.0
67.05508	14.2
69.03436	10.4
69.07056	14.0
71.04997	16.4
71.55615	3.5
79.05496	25.0
81.03434	7.0
81.07068	89.4
83.08614	7.3
85.02905	23.8
85.06602	4.5
87.00838	10.5
91.05496	17.2
93.07065	47.5
95.08614	34.9
97.00027	3.6
97.02880	7.4
97.10139	4.6
98.97587	5.9
99.04436	4.0
99.08122	4.7
101.61392	3.4
105.01876	16.4
105.07041	43.6
107.08610	54.1
109.02923	4.8
109.10159	34.0
119.08604	57.2
121.10153	12.9
123.11736	22.0
123.43787	3.2
127.03930	10.7
127.11208	16.9
131.08521	4.8
133.10150	45.4
135.11710	100.0
137.13341	4.3
143.10693	10.6
145.04921	6.2
147.04373	3.1
147.11699	24.8
149.13272	4.6
153.12715	9.8
161.13286	13.6
163.14850	4.1
171.11858	3.8
203.17976	65.1
221.19022	42.5
228.04770	6.0
249.06145	6.6
276.90176	3.6
365.48941	3.5
421.92941	3.9
461.86703	4.2
463.18890	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	522.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47023	0.5
69.87272	1.8
69.87689	1.8
79.05517	0.6
81.25712	0.6
91.05495	1.0
93.07050	1.2
94.23868	0.6
98.20802	0.9
103.05473	7.6
107.04974	1.9
120.08117	100.0
131.04932	2.0
138.87572	0.6
147.04434	0.8
149.06053	1.4
166.08653	46.3
204.51723	0.7
213.45201	0.7
263.90720	0.7
311.20438	0.6
337.18845	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2542
Annotation	180083-23-2
Peak:m/z	Relative Intensity
50.61937	2.1
53.03938	3.4
55.01866	4.6
55.05514	14.0
57.03431	5.4
57.07091	11.4
65.03952	3.9
67.05505	20.1
67.52517	2.3
68.00777	2.0
68.99795	2.9
69.03424	6.4
69.06721	3.6
69.07075	47.9
71.04974	4.6
71.08623	6.7
71.55141	2.8
72.78745	2.1
77.03928	2.5
79.05507	16.8
81.03410	7.9
81.07056	24.1
83.04971	7.5
83.08609	8.9
85.10183	3.4
86.11671	2.3
89.03899	2.4
91.05483	25.6
93.07056	23.5
95.04984	10.2
95.08615	21.2
97.06524	8.3
97.10204	2.5
98.19492	2.0
99.04447	2.4
103.05482	17.0
105.07037	24.4
107.04947	13.4
107.08603	20.4
109.02884	2.1
109.06540	3.9
109.10197	5.2
111.04440	2.3
115.05439	4.9
117.07011	11.2
117.79975	2.2
119.04906	5.9
119.08588	19.2
121.06487	10.8
121.10151	11.8
123.08081	14.0
125.05997	2.8
128.06187	4.7
129.07007	9.0
131.04939	31.1
131.08571	41.0
133.06480	20.1
133.10152	13.2
135.04434	4.6
135.08069	22.4
135.11694	8.8
136.93141	6.7
137.05981	3.1
141.07051	5.3
142.07774	5.8
143.08540	6.7
143.43727	2.2
145.02870	8.0
145.06491	14.2
145.10114	19.1
147.04393	14.9
147.08046	13.2
147.11690	9.8
147.19069	2.3
149.05981	7.9
149.09596	6.8
149.13248	4.9
151.07509	7.5
154.94168	11.2
155.08537	8.2
156.09358	2.3
157.06487	12.7
157.10150	23.1
158.07364	2.3
158.10957	5.3
159.04430	49.3
159.08067	27.2
159.11662	5.8
161.05991	4.7
161.09657	5.7
161.13280	18.3
163.07564	24.0
163.11150	9.2
163.14767	5.5
166.27786	2.3
167.07014	2.2
169.06464	2.7
171.08066	4.2
171.11681	5.0
172.08804	6.0
172.95250	11.6
173.06012	14.9
173.09665	14.3
173.13275	32.6
175.07570	2.9
175.11191	23.9
177.05475	25.8
177.11136	2.3
177.12764	5.9
178.07765	2.5
179.07054	2.5
179.08536	8.4
182.07350	4.0
183.11679	5.3
185.05978	3.0
185.09581	3.5
187.07535	16.7
187.11259	3.2
189.05392	3.1
189.12756	26.8
191.07034	7.5
191.10660	2.5
191.14355	19.8
197.09680	11.2
201.05431	4.0
201.09108	3.4
201.12766	49.5
203.10696	8.2
205.04965	3.8
205.08546	20.3
205.12251	6.9
207.03056	2.1
209.11629	6.1
210.96866	2.9
211.11160	7.7
213.09311	2.8
213.12807	2.6
215.07281	3.9
215.10710	67.7
217.04970	4.5
217.08549	2.4
219.06453	3.7
219.13809	39.2
221.15324	2.5
221.97231	2.4
227.12738	13.0
228.97868	6.6
229.08667	3.1
229.12227	30.3
231.06525	6.4
233.08228	3.1
235.05978	2.7
239.23657	2.2
241.12279	4.3
245.08087	4.6
245.11829	3.3
246.99049	4.2
247.06084	15.3
247.13275	36.2
249.07576	4.2
255.06567	9.0
257.11780	3.3
259.06018	20.6
259.13205	2.1
261.07336	2.9
262.75806	2.2
263.08994	2.3
265.07071	6.2
265.14389	16.9
267.16229	2.2
269.11868	10.3
271.09775	3.7
271.13364	3.4
273.07544	19.9
277.07083	7.4
287.12732	9.1
289.10812	10.7
293.21185	4.6
297.11218	36.9
305.13931	7.1
315.12277	100.0
323.12704	3.6
333.13358	68.0
341.14066	3.4
349.23407	2.2
429.16946	3.0
435.17972	3.7
447.18048	18.5
461.23416	4.3
465.19260	6.0
485.23178	13.1
503.24405	29.5
521.22119	8.1
521.38715	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	521.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40868	1.5
55.01871	1.9
55.05506	6.1
55.13604	1.6
56.96568	1.9
57.03429	1.6
57.07060	3.1
59.04996	1.8
65.03948	1.5
67.05512	10.7
69.07072	34.4
71.04976	1.8
71.08624	3.2
71.54846	2.1
73.52459	1.6
79.05494	8.0
81.03381	1.6
81.07060	12.0
83.04985	4.2
83.08620	2.2
85.06543	1.9
91.05476	8.6
93.07043	12.2
95.04971	4.4
95.08615	11.9
97.06547	2.8
103.05476	12.3
105.07028	12.0
107.04929	5.5
107.08616	9.1
109.06512	2.7
109.10139	4.4
115.05459	4.6
117.07042	8.3
119.04953	3.2
119.08584	8.6
121.06524	12.5
121.10139	6.7
123.08064	5.8
123.11717	1.6
129.07043	4.3
131.04015	2.8
131.04935	31.6
131.08577	11.6
133.06522	9.4
133.10144	3.7
135.04425	3.0
135.08055	6.4
135.11748	7.7
137.05957	2.8
141.07086	2.3
142.07747	2.5
143.08566	2.3
145.06494	6.5
145.10135	7.4
147.04428	10.0
147.08054	3.9
147.11710	8.7
149.02344	3.1
149.05978	4.3
151.07518	2.6
154.94139	1.9
155.08572	2.9
157.06497	13.0
157.10117	7.8
159.04445	40.9
159.08060	6.6
159.11653	4.8
161.05962	2.4
161.09604	5.2
161.13254	2.8
163.07523	5.5
163.11206	2.8
167.03421	4.0
171.11798	2.1
172.95116	1.7
173.06000	15.6
173.09612	6.0
173.13197	9.3
175.04004	1.6
175.11203	20.8
177.05478	25.2
179.08604	9.6
185.09564	2.8
187.07526	2.3
189.12758	6.2
190.96286	1.8
191.03493	2.3
191.07056	5.4
191.14294	7.5
193.25610	1.7
197.09653	13.3
201.12691	8.1
203.10641	10.5
205.12253	4.5
209.11649	2.8
209.65378	1.8
215.10686	100.0
219.06586	1.9
219.13791	20.1
221.11737	5.7
221.15309	3.9
229.12308	4.5
231.06668	2.6
245.11801	2.3
247.05893	3.1
247.13268	9.3
249.07648	3.3
253.08565	2.4
257.11746	7.2
259.05963	4.2
265.07190	2.2
265.14294	9.0
267.15866	3.2
269.11664	2.2
271.09634	12.5
273.07675	2.5
277.07071	4.4
285.07532	1.7
287.12836	2.3
289.10657	12.2
297.11127	5.0
301.10684	6.9
305.13895	2.6
307.11630	2.4
315.12280	16.6
333.13351	16.1
381.19604	2.4
405.17139	1.8
433.23846	2.7
447.17981	6.5
459.21512	5.6
477.22754	5.9
503.24255	4.8
521.21484	2.2
521.38696	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	520.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.2
56.05030	0.5
57.03443	0.2
58.06629	0.4
60.08165	6.6
61.16872	0.2
67.05505	0.5
67.87129	0.1
69.07077	0.5
71.07373	3.5
79.05482	0.2
81.07063	0.5
86.09708	32.6
87.10059	0.2
91.05454	0.1
92.08913	0.1
93.07069	0.2
95.08609	0.5
98.21539	0.2
98.86826	0.1
98.98469	3.8
104.10751	2.6
114.39317	0.1
122.04346	0.1
125.00007	22.3
184.07343	100.0
185.07712	0.2
247.64941	0.1
337.27246	0.2
502.32849	0.9
520.33936	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03079	0.6
53.03958	0.6
55.01854	0.7
57.03440	1.4
61.02934	1.4
63.99708	0.7
67.05495	1.0
68.99803	0.7
69.07056	1.6
70.06560	1.0
71.04995	0.7
71.55544	1.1
79.05457	0.7
85.02917	2.1
88.91785	0.7
91.05465	1.4
94.06565	1.9
95.01337	3.2
95.04952	0.8
96.56319	0.6
98.97604	1.1
103.05473	1.7
107.04948	1.1
122.06052	3.7
131.04990	1.7
137.05997	3.2
140.07057	9.7
142.08611	1.4
143.03331	1.1
144.04507	1.0
146.06004	19.0
149.05942	0.9
151.03906	0.8
154.08591	1.0
158.06026	3.9
160.03996	1.1
162.05548	1.2
170.06036	1.4
172.03922	4.1
173.04732	2.6
174.05540	5.1
177.05446	1.0
179.03415	1.3
184.07744	1.0
186.05533	7.3
188.07022	3.4
190.04933	1.2
191.05792	1.4
198.05540	1.9
200.07098	0.8
202.04889	1.5
204.06554	7.9
206.08133	4.1
210.05444	1.6
212.03407	3.2
212.07138	3.5
214.05005	49.1
215.05386	1.6
216.06499	1.2
226.05072	1.5
227.05620	0.8
228.06578	2.2
230.04521	11.3
238.04930	1.2
240.02893	0.8
240.06528	4.0
242.04405	5.9
244.06084	2.3
254.04567	3.5
256.02502	0.8
256.06061	4.1
258.04160	1.1
258.07278	0.9
260.05469	1.2
262.06863	0.7
266.04425	1.7
268.06091	4.4
270.03998	30.6
272.05542	12.9
282.04071	1.0
284.05661	2.9
286.07126	3.1
288.05157	1.1
294.03931	1.1
302.06750	1.4
304.08038	1.1
310.09927	1.7
312.05066	14.9
313.11810	12.2
330.06091	86.2
331.06308	1.6
331.12930	2.6
345.14456	6.5
348.07147	16.9
362.08722	100.0
363.09085	2.1
368.09641	1.2
370.92822	0.8
380.09793	15.7
429.17984	0.8
431.19293	1.2
489.08289	1.3
489.15057	16.2
521.17645	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	520.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.8
55.05495	7.8
56.96556	3.0
57.03444	4.2
59.04988	3.5
67.05489	11.8
69.03417	11.1
69.07059	8.5
70.78734	7.6
71.05000	24.5
73.06525	2.6
79.05484	18.6
81.03425	6.7
81.06647	4.1
81.07066	44.2
83.04976	3.3
83.08620	4.7
85.02919	19.0
85.06541	5.4
86.09715	3.1
87.00842	5.3
91.05472	20.8
93.07053	36.2
95.04945	4.4
95.08614	29.8
97.02897	6.9
97.06519	8.5
99.04432	3.8
99.08080	8.9
105.01865	7.3
105.07037	62.3
107.08609	27.5
109.06528	6.8
109.10156	23.1
111.08083	4.2
115.76313	2.7
117.07030	4.8
119.08604	25.6
119.36804	2.5
121.06502	4.7
121.10154	23.3
123.08082	3.2
123.11709	5.8
125.09629	40.7
127.03909	5.0
127.07574	6.2
127.11192	5.1
131.08583	9.7
133.10143	100.0
135.11678	5.9
137.05957	8.1
137.09630	3.7
139.11194	3.8
143.10675	54.9
145.04944	3.2
145.10117	25.3
147.11693	24.1
149.13261	17.0
151.11183	5.9
157.10156	4.0
159.11681	14.5
161.06053	3.7
161.13231	11.0
167.05692	3.4
167.14322	34.2
169.12291	4.9
173.13226	7.5
189.16296	2.9
191.14244	7.6
191.17648	3.1
201.16386	24.7
211.31886	3.1
219.17465	56.1
237.18451	11.7
291.14258	3.0
413.14566	2.8
520.33167	5.2
520.71045	3.1
548.18762	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	520.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
55.05502	2.1
56.96561	1.5
57.03419	1.4
67.05520	6.8
69.03438	2.0
69.07072	3.6
79.05476	4.4
81.03437	2.1
81.07073	5.6
83.04980	1.7
85.02888	1.4
85.06512	1.2
90.94415	1.2
91.03989	1.7
91.05466	2.8
93.07074	2.6
95.04951	2.3
95.08600	4.9
97.02917	1.9
98.20795	3.1
98.97597	1.7
101.78025	1.3
102.90932	1.1
105.07049	3.5
107.04987	1.3
107.08629	1.5
109.02946	1.1
109.06429	1.2
109.10201	2.5
117.06982	1.5
119.08597	2.3
123.08108	2.4
131.08594	1.7
136.84509	1.1
137.02377	1.7
137.09552	1.2
141.01886	1.4
145.06505	1.2
149.02350	1.4
153.01859	2.4
165.01857	76.1
167.03410	2.1
177.01820	1.5
179.03442	3.2
183.02913	32.3
183.04538	2.5
191.03386	7.4
233.08112	100.0
234.08371	1.5
275.19937	1.8
331.16025	2.8
349.16711	3.9
365.13675	1.5
365.18646	1.3
367.17853	2.8
421.20224	1.4
433.20013	1.6
449.70261	1.4
489.26425	9.9
520.29242	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50364	0.3
54.39151	0.3
55.05516	1.7
55.90290	0.3
56.05041	1.8
57.03440	0.6
58.06610	1.2
59.07388	0.4
60.08167	18.6
67.05510	3.0
69.07084	1.4
69.60228	0.8
69.60651	1.1
70.09099	0.3
71.07377	7.0
72.01311	0.3
78.61092	0.3
79.05515	0.7
81.07064	3.1
83.03602	0.3
83.08624	0.3
86.09712	49.6
91.05468	0.6
93.07047	0.5
95.08617	2.0
98.98469	4.7
104.10750	99.7
105.06934	0.4
106.61704	0.3
107.08585	0.4
109.10141	0.5
109.88599	0.3
114.77364	0.3
121.10066	0.3
122.91109	0.3
122.92029	0.3
123.11761	0.4
125.00013	29.2
147.11674	0.3
153.02231	0.4
163.01575	0.5
184.07350	100.0
185.07764	0.4
209.42984	0.3
258.11102	0.8
317.24045	0.3
337.27307	0.9
443.25861	0.5
502.32928	8.2
520.34027	22.6
521.34125	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	21.8
57.07060	4.7
67.05508	18.2
69.03434	9.4
69.07063	17.1
69.40234	33.7
70.76883	4.1
71.05003	27.4
71.87518	4.4
79.05489	21.1
81.03417	7.3
81.07063	57.0
82.36079	3.8
83.04996	7.0
83.08627	8.9
85.02914	18.8
85.04811	4.2
85.06570	6.4
87.00806	4.6
91.05479	26.3
93.07053	41.2
95.04977	6.4
95.08612	39.7
97.02885	10.9
97.06538	9.4
97.10198	8.5
98.21629	4.2
99.08107	16.1
101.01595	4.0
103.33536	4.5
105.01853	7.6
105.07047	66.2
107.08598	37.2
109.02882	5.5
109.06490	6.5
109.10172	27.2
111.11739	5.4
117.07027	6.8
119.08595	27.2
121.10149	48.1
123.08071	5.7
123.11710	13.9
125.09645	38.2
127.03920	11.2
127.07565	14.4
127.11224	5.4
131.08588	12.6
133.10133	100.0
135.11699	12.0
137.06007	5.1
137.09605	6.1
139.11256	5.6
141.69382	4.1
143.10663	50.0
145.04953	6.6
145.10162	26.4
147.11703	21.0
149.13268	31.0
151.11235	7.5
159.11713	17.4
161.13275	13.2
167.14336	64.1
167.43063	4.6
170.93887	4.1
173.13126	5.8
191.14423	4.5
201.16397	19.1
219.17461	68.3
237.18497	13.3
265.95523	4.7
520.18750	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	519.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.7
55.05514	0.9
67.05517	0.7
69.03427	1.2
69.07075	1.2
70.46841	0.5
70.52606	1.0
70.52959	1.4
71.05006	0.6
73.50473	0.5
79.05497	1.4
81.03438	0.7
81.07066	1.5
83.05000	1.9
85.02916	2.1
91.05486	1.6
93.07067	2.3
95.05000	1.1
95.08612	0.8
97.02873	0.8
97.06545	2.2
99.04506	0.6
105.07051	3.0
107.04976	0.7
107.08583	1.3
109.02853	0.6
117.07054	0.7
119.04998	1.5
119.08619	1.8
121.02879	1.9
121.06535	1.1
121.10123	0.9
125.06023	2.7
131.08597	1.2
133.10126	0.7
135.11748	1.0
137.06007	2.6
143.07057	1.4
145.02869	0.9
145.10127	3.3
147.11734	0.8
159.11787	1.4
161.05905	0.6
163.03879	1.1
163.11200	1.7
165.01863	2.7
167.03439	0.7
173.09674	1.7
177.05533	0.8
177.12825	0.8
183.11775	0.6
187.11227	2.6
191.10727	1.2
203.05336	1.1
205.12318	2.0
215.10689	3.2
229.05203	0.6
233.11743	2.9
251.12914	1.1
259.07971	1.1
267.06573	2.0
267.09238	0.6
269.13919	0.8
270.05249	0.7
271.06073	2.3
281.08237	1.6
283.06061	10.4
283.15079	0.6
284.06866	2.2
295.06131	3.7
295.09250	0.9
297.07703	1.4
305.08151	1.0
307.06082	0.7
308.07043	0.9
309.07599	4.6
313.07095	16.5
323.09186	3.6
325.16629	0.8
333.07727	1.4
337.07025	7.2
351.08707	1.1
352.14215	0.6
357.19171	2.8
358.42960	0.6
361.07196	1.1
379.08145	7.3
397.09225	1.0
451.42603	0.5
483.09256	4.4
487.21561	0.8
501.10239	1.4
519.24249	100.0
520.24310	3.2
543.97168	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1867
Annotation	Simplexoside
Peak:m/z	Relative Intensity
53.03946	0.7
55.01849	0.3
56.96543	0.4
57.03443	0.6
58.17764	0.3
61.02922	0.7
69.03438	1.9
69.52265	2.0
70.06583	0.6
73.02930	0.4
79.05487	0.4
81.03416	0.9
81.64270	0.3
85.02917	2.9
86.09682	0.6
87.04498	0.3
94.04204	2.2
95.08543	0.3
97.02900	1.4
98.97565	0.4
107.04945	0.6
108.02087	0.5
115.05446	1.1
117.07018	1.0
119.04932	0.4
119.08603	0.4
121.02864	0.8
122.02853	0.5
122.03658	5.2
127.03924	0.6
131.04930	0.5
133.10112	0.3
135.04428	0.3
137.05986	100.0
138.06331	1.2
139.03835	0.5
141.05400	0.4
143.03790	0.5
143.04929	7.9
147.04417	0.6
151.03918	16.5
151.05006	1.2
167.05580	0.6
175.07542	2.3
186.90532	0.3
203.06990	2.0
205.08620	4.1
214.00961	0.3
219.08362	0.3
219.10107	1.7
295.06113	1.1
299.06113	0.9
321.07443	0.4
327.12289	16.0
329.06570	0.4
337.06839	0.7
346.69107	0.3
351.55219	0.4
357.13364	8.0
369.05878	0.7
379.07730	0.4
391.07782	0.4
399.07080	0.8
423.06894	0.5
446.07175	0.3
489.17456	0.7
519.18597	27.5
520.18854	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55198	4.7
73.04756	5.9
83.59646	3.1
85.02917	3.8
91.05840	4.1
117.03376	4.1
118.06573	18.8
130.06548	3.5
132.08118	3.8
142.06493	3.9
144.08075	14.5
146.06020	64.3
147.04359	8.5
157.23853	3.1
159.09273	7.7
167.05620	7.7
170.05939	4.7
177.05457	4.7
188.07083	100.0
205.09760	36.5
299.06165	8.6
314.85333	3.1
344.97668	4.3
460.30338	3.0
485.57117	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	519.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	21.7
56.96561	15.6
67.05505	23.5
69.03413	27.6
69.07049	25.4
70.06581	18.9
71.04993	18.9
71.55962	11.7
79.05496	36.9
81.07030	51.3
83.04969	68.8
84.08147	18.3
85.02906	45.9
85.06558	22.1
87.66159	11.6
91.05467	43.8
93.07030	34.0
95.04967	47.5
97.06516	57.5
98.97540	15.3
99.04459	19.5
99.08088	17.1
105.07053	71.2
107.04949	21.1
107.08575	28.1
109.06491	22.0
119.04952	17.9
119.08588	31.8
120.23678	14.3
121.06501	55.7
123.04453	14.3
125.06013	79.2
127.07505	13.4
130.07712	12.4
131.08600	24.2
133.06447	16.2
133.10155	14.5
137.06000	95.6
141.01805	30.7
143.07059	50.2
145.10107	99.3
147.04424	13.6
153.06970	10.8
159.08040	19.3
159.11690	53.4
163.11156	63.7
167.05473	12.4
167.07027	16.4
169.10095	14.0
173.09598	60.4
177.12798	17.4
179.01125	11.6
187.11159	94.5
191.10713	26.6
197.09543	12.6
205.12244	75.3
209.11739	36.2
215.10666	100.0
233.11848	66.6
246.14893	30.1
251.12828	59.0
269.13852	13.9
299.05878	17.5
325.16559	15.9
343.17429	27.5
362.14221	19.8
519.19324	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	519.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01849	0.3
56.96543	0.4
57.03443	0.6
58.17764	0.3
61.02922	0.7
69.03438	1.9
69.52265	2.0
70.06583	0.6
73.02930	0.4
79.05487	0.4
81.03416	0.9
81.64270	0.3
85.02917	2.9
86.09682	0.6
87.04498	0.3
94.04204	2.2
95.08543	0.3
97.02900	1.4
98.97565	0.4
107.04945	0.6
108.02087	0.5
115.05446	1.1
117.07018	1.0
119.04932	0.4
119.08603	0.4
121.02864	0.8
122.02853	0.5
122.03658	5.2
127.03924	0.6
131.04930	0.5
133.10112	0.3
135.04428	0.3
137.05986	100.0
138.06331	1.2
139.03835	0.5
141.05400	0.4
143.03790	0.5
143.04929	7.9
147.04417	0.6
151.03918	16.5
151.05006	1.2
167.05580	0.6
175.07542	2.3
186.90532	0.3
203.06990	2.0
205.08620	4.1
214.00961	0.3
219.08362	0.3
219.10107	1.7
295.06113	1.1
299.06113	0.9
321.07443	0.4
327.12289	16.0
329.06570	0.4
337.06839	0.7
346.69107	0.3
351.55219	0.4
357.13364	8.0
369.05878	0.7
379.07730	0.4
391.07782	0.4
399.07080	0.8
423.06894	0.5
446.07175	0.3
489.17456	0.7
519.18597	27.5
520.18854	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1141
Annotation	Genistein 8-C-glucoside 6''-O-malonate
Peak:m/z	Relative Intensity
55.01869	1.5
55.48280	1.1
56.22286	1.2
56.59573	0.9
57.03435	1.1
58.30739	1.1
68.99796	1.8
69.03437	2.6
70.06572	1.3
70.49039	2.4
70.49433	2.3
71.04988	2.2
73.02917	1.0
75.78903	1.3
79.01832	1.4
81.03418	2.0
81.07067	1.9
81.95404	1.0
85.02908	8.2
87.00901	1.0
87.53246	1.1
91.05477	2.0
93.07050	1.5
95.08611	1.8
97.02875	1.4
103.03948	2.0
105.07046	2.1
109.06537	1.0
109.10097	1.2
113.35178	1.4
119.04949	4.1
119.08600	3.2
121.02888	15.1
121.10188	1.7
123.11613	1.2
133.10126	3.5
137.05984	4.0
141.01747	1.6
145.02840	2.0
149.02362	1.8
165.01857	9.4
167.03421	1.8
171.02921	1.2
175.14883	6.2
177.01810	1.6
183.02930	3.8
191.03406	1.4
195.02905	1.7
211.07535	1.4
213.05437	2.5
214.06122	1.2
217.04999	1.1
224.34186	1.0
227.06888	1.2
239.07167	1.5
243.02879	1.8
243.06618	2.0
255.06566	4.7
256.07428	6.9
267.06570	2.7
270.05243	1.6
271.06064	8.0
283.06042	63.2
284.06799	32.0
285.07440	2.1
295.06036	34.6
297.07584	15.4
299.06012	1.3
305.08023	1.7
307.06204	2.1
308.06635	2.5
309.07745	4.4
311.05576	2.2
313.07095	100.0
314.07431	1.5
323.05551	2.1
323.09158	7.5
325.07104	4.4
333.07733	1.3
337.07086	19.9
343.08282	5.5
351.08606	4.3
355.08322	1.5
361.07138	5.6
367.08328	1.6
379.08093	12.7
397.09085	6.4
415.10202	4.3
433.11392	3.0
439.10364	11.0
457.11511	6.7
475.12222	3.6
483.09476	7.3
501.10434	16.0
519.11328	25.7
519.17993	1.1
519.23883	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	518.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.9
56.05049	1.4
57.03441	0.5
58.06577	1.8
59.07383	0.6
60.08170	18.4
67.05510	3.1
69.07073	0.8
70.06581	0.3
71.07381	7.3
79.05499	2.1
81.07064	1.6
83.22002	0.2
86.09715	53.8
87.10049	0.3
91.05498	1.1
93.07042	2.7
95.04986	0.3
95.08611	1.4
98.98470	4.8
104.10754	100.0
105.07040	0.6
105.11092	0.3
107.08614	0.8
109.10175	0.5
119.08612	0.3
121.10175	0.3
125.00018	31.7
128.12442	0.3
133.10139	0.4
163.01616	0.6
166.06204	0.3
184.07358	94.3
185.07707	0.4
239.83572	0.3
258.11172	1.4
335.25830	1.0
354.25143	0.3
441.23923	0.5
500.31454	7.2
518.32495	20.8
519.33057	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99250	0.1
55.05510	0.2
56.05042	0.7
58.06632	0.5
59.07389	0.1
60.08168	6.8
60.18546	0.1
61.42848	0.1
67.05510	0.6
69.07067	0.2
69.85638	0.1
70.06589	0.2
70.72168	0.3
71.07380	3.7
79.05512	0.3
81.07066	0.5
83.08648	0.1
86.09711	32.5
87.10041	0.1
91.05442	0.2
93.07047	0.3
95.08607	0.4
98.98474	3.7
104.10065	0.2
104.10751	3.3
111.58325	0.1
121.10090	0.1
125.00014	22.9
184.07352	100.0
185.07658	0.6
265.53046	0.1
270.07529	0.1
335.25784	0.2
343.68051	0.1
351.86044	0.1
460.99872	0.1
500.31458	0.8
518.32263	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1139
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
55.01855	0.1
61.02946	0.1
62.14500	0.1
67.01867	0.4
67.91788	0.1
68.99820	0.4
69.03413	0.3
69.07045	0.1
70.78847	0.3
70.79194	0.1
73.90258	0.1
77.17473	0.1
79.05499	0.1
81.03436	0.2
81.07065	0.3
83.04967	0.1
85.02892	0.3
87.00813	0.1
91.04984	0.1
91.05453	0.6
95.04949	0.1
95.08613	0.3
97.02889	0.2
105.07025	0.1
109.02833	0.1
119.04953	1.7
119.08587	0.1
121.02832	0.6
121.10084	0.1
125.06003	0.2
125.09563	0.2
127.03891	0.2
128.10587	0.1
131.08609	0.1
133.10149	0.1
135.04417	0.1
137.05966	1.0
143.10579	0.1
145.02841	0.7
145.06500	0.2
153.01834	4.7
159.11682	0.1
161.05989	0.1
163.03932	0.4
163.11185	0.1
166.58389	0.1
171.02914	0.3
187.03902	0.2
203.06987	0.3
204.12990	0.1
225.05489	0.4
229.05020	0.3
243.06581	0.2
247.06281	0.1
253.05022	0.2
254.05894	0.1
261.45920	0.2
271.06015	100.0
272.06332	1.7
313.06989	0.2
433.11307	1.0
487.18027	0.1
501.19147	0.1
519.11493	1.4
519.18860	0.2
519.31555	0.4
531.46356	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	519.1143
Annotation	Apigenin 5-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
55.01865	0.2
57.03441	0.3
68.99788	0.4
69.03436	0.4
69.32441	1.5
69.33197	0.2
79.05466	0.4
81.03431	0.3
85.02895	0.5
91.05460	1.5
93.07024	0.3
97.02924	0.2
98.97603	0.3
105.07024	0.5
107.04977	0.4
109.10196	0.2
111.00768	0.2
119.04931	1.0
119.08542	0.2
121.02904	0.5
122.03630	0.3
127.03922	0.7
131.04918	0.4
131.08615	0.2
133.02797	0.3
137.06006	3.0
141.07053	0.3
145.02849	1.1
145.06532	0.5
147.04430	0.8
149.02350	2.6
153.00591	0.3
153.01834	5.6
159.04451	0.8
161.06038	0.4
165.01834	0.7
167.05592	0.3
167.07062	0.2
169.06572	1.0
175.07568	0.4
183.02988	0.2
187.07570	0.7
191.06996	0.3
197.06007	1.0
201.05475	0.5
203.42641	0.2
211.07671	0.3
215.05063	0.4
215.07066	5.6
217.01611	0.2
219.01917	0.2
225.05533	0.6
228.20206	0.2
243.06569	3.3
253.04947	1.5
265.08640	0.3
271.06036	100.0
272.06332	1.9
299.06137	0.5
303.10544	0.2
307.09595	0.4
307.12943	0.3
311.05298	0.2
313.07104	0.3
344.98114	0.3
347.12857	0.4
365.13837	0.5
370.29031	0.2
433.10855	0.3
448.15176	0.9
449.16287	0.3
517.89740	0.2
519.11261	0.7
519.19604	0.5
519.31329	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1139
Annotation	Genistein 8-C-glucoside 6''-O-malonate
Peak:m/z	Relative Intensity
68.99790	1.1
69.03442	1.1
70.67397	1.7
70.67764	1.9
78.24299	0.7
79.01852	1.4
81.03418	1.4
81.41013	0.8
85.02914	4.7
88.57590	0.9
91.05529	1.1
93.03396	1.0
103.03951	1.6
119.04960	3.1
119.25931	0.8
120.05719	0.8
121.02875	12.2
125.02431	1.0
138.03145	1.1
145.02902	1.8
163.03905	1.3
165.01871	8.5
177.01830	1.2
183.02869	1.7
187.03975	1.8
195.02888	1.7
199.07562	0.9
213.05489	3.3
217.04953	0.9
227.07062	1.3
241.04951	1.1
243.03046	1.4
243.06592	2.4
255.06535	5.3
256.07263	5.7
259.06158	1.7
264.77536	0.9
267.06631	2.4
268.07050	0.9
271.06046	6.5
281.08026	1.0
283.06033	60.4
284.06815	29.9
284.10010	1.2
285.07520	2.8
295.06036	35.9
297.07593	14.7
305.08212	1.0
307.06079	2.0
308.06839	3.0
309.07529	6.9
311.05698	4.4
313.07080	100.0
314.07535	2.1
323.05768	1.5
323.09229	7.6
325.07068	4.5
327.08762	1.9
333.07648	1.6
337.07059	20.2
343.08221	4.4
351.08618	3.5
361.07135	4.1
367.08261	1.2
379.08160	9.8
397.09204	6.4
415.10358	2.1
433.11395	2.5
439.10300	8.5
457.11292	7.0
465.08353	2.0
475.12518	3.2
483.09232	8.5
501.10312	14.6
519.11389	30.5
524.09058	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
68.01401	1.0
69.88630	3.7
70.76250	0.7
79.55406	0.6
85.02900	1.0
91.05492	0.9
94.06596	0.9
106.06567	3.3
107.07396	0.8
108.08121	1.2
110.02374	0.9
113.37778	0.7
122.06051	2.4
132.08090	1.4
136.07591	3.7
137.05986	1.2
140.07115	1.3
144.08119	1.2
146.09660	2.0
148.07564	2.7
150.09158	1.2
158.09576	1.0
160.07593	10.0
164.07072	4.2
164.14198	0.7
166.08644	40.7
170.09708	0.9
171.09126	2.0
172.07538	1.4
173.10793	0.7
174.09155	6.4
176.10741	0.7
178.08638	2.8
184.07570	1.3
185.07112	1.3
187.06218	0.8
192.10155	1.5
195.09259	1.1
195.85558	0.7
196.07616	1.1
196.09943	1.4
198.09132	2.4
199.08655	6.0
200.07086	1.8
200.09428	1.5
201.05490	1.5
201.10280	2.2
202.05948	1.2
202.08673	2.4
204.06541	1.2
212.10825	1.5
213.10254	7.1
214.08794	0.8
214.10927	0.8
215.08153	1.9
215.11833	3.2
218.08127	1.1
219.08859	0.8
220.09703	26.3
223.08725	1.5
224.09315	1.0
225.10176	1.5
226.08612	2.5
227.08162	5.8
227.11731	1.3
228.06578	2.7
231.11333	1.0
237.10245	2.7
240.10262	1.6
241.09717	10.7
242.10542	2.7
243.11316	7.6
244.09731	1.3
245.09285	2.7
246.07631	17.0
251.08281	4.4
252.09077	0.8
255.11282	5.0
257.09171	0.8
257.12872	0.8
259.10770	9.1
261.12415	1.0
264.08688	2.1
265.09787	3.9
267.11261	2.5
268.09714	2.2
269.09213	17.8
270.07556	1.7
273.12350	3.6
283.10782	10.9
285.12344	8.2
286.10751	2.0
287.10294	14.1
287.13834	3.7
293.09460	0.8
301.11853	28.6
303.13400	36.1
305.11285	0.8
305.14935	1.9
311.07019	1.3
311.10275	14.2
313.06894	0.8
319.12650	1.5
323.16135	2.0
329.11334	100.0
330.11737	1.2
347.12421	18.1
356.12173	1.3
361.13943	64.4
442.20331	0.9
450.16565	1.0
468.17456	3.5
481.94705	0.8
486.18735	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00517	0.8
55.01858	1.5
61.11798	0.9
69.03411	1.3
70.06586	2.0
71.55646	0.8
71.56059	1.2
79.05474	1.6
81.03375	0.9
81.07069	1.6
84.04501	2.6
84.08145	1.4
85.02911	2.9
86.09689	1.3
91.05463	1.1
94.06580	1.0
95.03988	0.8
96.04475	1.1
98.97603	1.5
106.06538	3.2
108.08131	1.3
108.86250	0.8
114.05547	1.4
119.04915	1.0
121.02857	2.9
122.02328	1.1
122.06034	1.8
122.54288	0.9
125.54524	0.8
127.03916	0.9
132.08101	3.4
136.07608	4.3
136.30144	0.8
137.05989	1.2
140.07074	1.8
144.08089	1.0
146.09628	3.1
148.07584	2.3
150.09142	1.8
152.07071	1.0
158.02705	1.6
160.07605	10.0
164.07089	5.0
165.01833	1.5
166.08652	36.8
171.09196	1.7
173.10901	0.9
174.09200	6.5
176.10774	0.9
178.08621	3.0
184.07582	0.8
184.09689	3.0
186.05460	1.0
192.10254	1.7
195.09189	1.5
196.06065	0.9
199.08704	6.2
200.07103	2.8
200.09300	0.9
201.10277	2.4
202.08644	2.7
204.06615	1.2
205.01385	0.9
213.10225	9.1
214.08673	1.3
214.10858	1.5
215.08191	1.8
215.11839	1.9
218.08220	1.3
220.09717	24.4
223.08696	1.6
224.09242	1.5
226.08690	1.3
227.08203	8.9
227.11729	1.3
228.06526	2.6
237.08066	0.9
237.10258	3.3
240.10158	1.3
241.09755	13.4
242.08237	1.3
242.10561	2.7
243.11328	7.1
245.09250	3.1
246.07645	14.6
251.08118	3.7
255.06696	1.1
255.11336	6.2
256.07278	1.4
256.09662	1.9
259.10815	9.3
261.12317	1.4
264.08643	3.3
265.09848	4.4
267.11258	2.1
268.09955	2.0
269.09241	19.0
270.07571	1.3
273.12656	6.3
283.06039	13.3
283.10733	11.3
284.06769	4.5
285.12421	6.5
286.10507	1.8
287.10284	10.9
287.13882	2.5
295.06036	3.6
297.07266	1.1
301.11865	27.9
303.13397	34.5
305.15115	2.1
311.10275	14.9
313.07126	12.9
323.09088	2.5
323.15930	2.8
325.06946	1.4
329.11346	100.0
330.11533	1.9
347.12372	18.4
356.12085	1.4
361.13971	75.0
362.14108	1.7
367.07953	1.6
379.08032	1.9
397.09103	2.4
468.17502	5.5
474.22641	2.2
486.18716	3.2
501.10147	2.5
518.23627	5.2
518.30310	1.9
519.11511	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	517.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	1.0
53.03942	2.1
55.01868	1.6
55.05516	14.1
57.03443	6.4
57.07095	2.0
60.90268	1.1
65.03934	1.3
67.05509	30.3
69.07079	14.4
70.71698	1.0
70.99097	1.5
70.99433	1.6
71.04999	1.0
71.78810	1.0
77.03910	1.0
79.05500	25.7
81.06583	1.9
81.07063	38.0
83.04974	1.9
83.08628	9.7
85.06567	1.8
91.05486	21.3
93.06473	2.1
93.07053	30.8
95.04975	3.1
95.08618	29.5
95.09240	1.2
97.06546	3.0
97.10189	3.6
99.08076	1.5
105.07046	26.6
107.07884	1.2
107.08598	21.8
109.06541	1.6
109.10161	13.6
111.08120	2.6
115.05445	1.4
117.07025	8.5
119.08592	25.7
121.10162	15.5
123.08108	1.9
123.11720	4.0
125.09660	2.1
129.07008	4.2
131.08582	18.7
133.10143	23.4
133.11104	1.9
135.11710	10.0
142.07791	1.2
143.08565	6.5
145.10141	16.0
147.11694	12.7
149.09651	2.0
149.13275	5.9
151.11194	1.0
155.08578	2.3
157.10181	6.4
159.11723	11.9
161.13307	5.8
163.11153	1.2
163.14835	3.9
169.10201	2.1
171.10451	1.1
171.11679	6.1
173.13255	9.6
175.14871	3.4
177.16472	1.0
183.11766	3.3
185.13280	6.4
187.14824	5.8
189.16408	2.1
197.13286	3.1
199.14883	3.3
199.87907	1.1
201.16394	2.0
203.18114	1.7
211.14824	1.4
213.16429	2.9
215.18091	2.2
227.17999	2.2
231.17493	1.2
241.18082	3.8
245.19044	1.6
245.22752	1.0
259.20706	3.2
271.20493	1.2
273.22119	2.2
277.21872	1.1
285.22113	1.2
287.23700	1.8
299.23770	2.2
305.24698	1.1
311.23813	1.2
313.25095	2.3
315.23190	1.6
327.26962	1.6
333.24139	1.3
377.27432	1.2
391.28525	1.3
405.30225	2.2
407.33228	4.0
419.31839	1.2
425.34213	13.6
443.35373	7.6
461.36694	2.0
481.36737	1.0
499.37946	16.9
511.28644	1.1
517.38910	100.0
518.39166	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.389
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03943	1.6
55.01867	1.3
55.05264	1.1
55.05511	15.8
57.03445	4.7
57.07067	2.6
61.71561	0.8
65.03937	2.3
67.05506	37.9
67.87632	0.8
69.06727	1.4
69.07073	18.5
71.04988	2.1
71.08621	0.9
71.55032	1.3
74.64002	0.7
77.03907	1.1
79.05492	26.4
81.03445	0.8
81.07057	40.1
83.04976	2.1
83.08623	12.2
85.06523	1.9
91.05484	26.3
93.07043	33.8
93.54051	0.8
95.04966	2.4
95.08613	33.2
97.06551	4.5
97.10176	3.2
99.08080	1.2
105.04505	1.3
105.07032	27.6
107.07866	1.4
107.08596	22.2
109.06505	1.5
109.10151	13.7
111.08092	2.0
115.05463	1.0
117.07017	8.4
119.08582	25.2
121.06522	0.7
121.10156	17.1
123.08070	1.2
123.11739	4.0
125.09686	1.3
128.06206	0.8
129.06996	5.8
131.08571	17.9
133.10143	19.7
135.11685	9.9
137.09602	0.9
137.13208	1.3
139.11165	1.3
141.06975	1.3
143.08551	6.9
145.09042	1.6
145.10121	18.1
147.11690	14.2
149.09586	1.9
149.13240	8.7
150.58263	0.8
155.08569	3.0
157.10144	7.6
158.10994	0.9
159.11705	13.4
161.13272	8.1
163.11171	0.9
163.14833	2.6
167.14345	0.9
169.10120	4.6
171.11685	5.9
173.13292	12.2
175.13553	0.9
175.14786	4.9
177.12715	1.1
177.16479	1.1
181.10291	0.8
183.11691	3.5
185.13194	5.6
185.44487	0.9
187.14836	5.1
189.12718	1.1
189.16380	1.5
191.14275	0.9
197.13306	1.7
199.14879	4.2
201.16475	3.1
211.14854	1.4
213.16426	2.8
215.18015	1.3
219.17477	1.4
223.17101	1.0
225.16272	1.4
227.18169	1.0
231.17474	1.4
241.18007	2.9
243.17677	1.0
245.19092	1.2
259.20627	4.0
273.22025	1.0
285.22104	1.2
287.23816	1.8
289.21683	1.2
299.23743	1.9
301.25342	2.2
305.24591	1.0
307.22629	1.1
311.24036	0.9
313.25122	1.7
315.26773	1.7
317.25046	1.1
327.27029	1.4
333.24191	1.5
343.26315	1.5
391.28421	1.3
405.30679	1.2
407.28345	0.9
407.33035	5.0
419.31906	1.0
425.34186	15.9
426.34253	1.1
443.35318	6.6
461.36481	1.3
481.36649	1.1
499.37900	21.3
517.38892	100.0
518.39111	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	517.3895
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03947	2.2
55.01876	2.0
55.05512	13.7
57.03434	3.9
57.07073	2.4
65.03936	1.9
67.05511	38.9
69.07072	16.3
71.04991	2.5
79.05067	1.5
79.05502	24.1
81.07063	39.5
83.04989	1.3
83.08622	9.5
85.06532	2.1
87.77030	1.0
91.05485	21.0
93.07048	30.4
95.05020	1.8
95.08614	30.4
97.06541	3.8
97.10175	4.0
99.08082	1.7
103.05434	1.3
105.07039	26.1
107.08599	21.6
107.09298	1.4
109.10165	12.9
111.08092	2.0
111.11732	1.1
115.05471	1.6
117.07008	7.4
119.08583	28.7
121.10142	17.7
123.08085	2.1
123.11705	4.9
125.09648	1.6
129.07018	4.0
131.08578	18.6
133.10149	19.4
135.11691	10.8
137.13214	2.2
141.06958	1.5
143.08557	4.8
145.10124	16.2
147.11696	13.7
147.12802	1.4
149.09669	1.5
149.13277	6.7
153.07014	0.9
155.08588	2.8
157.10103	7.0
159.11708	12.3
161.13280	7.1
163.11186	1.4
163.14871	3.2
165.12723	1.0
169.10201	2.9
171.11700	6.8
173.13275	9.8
175.14865	4.8
177.12943	0.9
178.70245	0.9
183.11768	2.7
185.11897	1.1
185.13278	4.8
187.14824	5.5
189.16368	1.9
191.14371	1.2
197.13266	1.7
199.14854	3.7
201.16435	2.8
211.14758	2.0
213.16455	2.4
219.17587	0.8
225.16429	1.7
241.17723	1.5
241.19818	2.0
243.17627	1.0
259.20657	4.1
261.22244	1.3
277.21921	1.0
285.22025	1.4
287.23712	2.4
299.23764	2.7
301.25458	2.1
313.25085	1.8
315.26874	1.3
317.24814	1.5
327.26886	1.1
333.24442	2.1
342.28366	0.9
370.98444	1.0
391.28787	1.2
405.30392	1.1
407.28317	1.2
407.32983	4.7
419.31635	1.1
425.34140	13.9
443.35269	7.8
459.35132	0.9
461.36945	1.6
499.37872	18.8
517.38898	100.0
518.39093	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.171
Annotation	Epimedoside C
Peak:m/z	Relative Intensity
53.03947	1.4
55.05534	1.8
67.05511	2.6
69.03072	2.5
69.03431	27.9
69.48846	9.3
69.49258	2.1
70.06554	1.3
77.08242	1.2
79.05503	2.9
79.41817	1.1
80.02673	1.2
81.03391	2.5
81.07045	5.0
85.02939	6.1
87.04491	2.4
91.05476	5.5
92.03915	1.2
93.07053	2.6
94.04171	1.4
95.04985	2.8
95.08584	4.1
97.02912	4.6
97.06508	1.3
98.97615	1.8
103.05478	3.0
105.03325	1.7
105.07023	5.1
107.04948	1.4
107.08572	1.9
109.02891	3.7
109.06516	2.9
109.10154	2.0
115.05448	2.7
119.04938	5.3
119.08543	2.0
121.06519	1.5
121.10207	1.4
122.03636	4.9
123.04462	2.1
127.03935	10.5
130.04126	3.4
131.04958	1.7
133.02896	1.7
133.06462	2.3
133.10132	1.8
135.11682	1.4
137.05986	94.3
146.03574	2.1
147.04454	7.4
149.06039	2.0
151.03957	3.5
158.03683	2.8
161.06009	11.5
162.06750	10.2
173.06018	5.0
175.03929	4.4
176.00851	1.3
177.05458	4.6
177.06888	1.7
181.29044	1.3
185.05977	1.6
186.03181	3.3
187.07547	1.6
189.05444	2.3
189.07048	5.9
191.07027	1.7
201.05467	44.7
205.06506	8.0
206.07303	5.8
213.05510	7.6
215.03535	1.4
217.06523	4.4
218.07257	2.9
219.08206	2.9
221.05988	1.7
221.09615	1.7
222.06750	4.1
223.07506	2.6
231.06520	4.5
233.06004	7.4
234.06744	20.7
235.07533	8.0
237.09071	3.9
239.06935	1.4
245.05972	7.7
246.06723	3.5
247.07562	3.1
248.08292	2.6
249.05499	2.5
249.09146	12.0
250.06248	5.1
251.07103	6.0
259.07559	1.8
261.05493	3.3
262.06277	22.5
263.06992	4.8
264.07928	2.4
265.08603	11.0
266.09399	1.9
269.08087	1.9
273.05362	6.5
274.06186	3.1
275.07138	1.9
276.07965	4.1
277.08630	29.8
278.05850	2.7
278.09106	2.0
279.06516	3.1
283.09622	1.3
290.05762	24.7
291.06348	2.9
291.10138	1.9
292.07330	5.9
293.08041	12.8
294.08884	4.4
295.09503	3.1
297.11185	3.8
304.07513	1.8
305.08078	45.1
307.06387	2.0
307.09677	13.0
309.11130	3.7
319.09619	4.6
322.08395	5.3
323.09143	1.7
325.10718	42.9
325.14383	3.0
337.10724	100.0
343.11819	3.0
349.10568	2.6
355.11792	21.7
457.21136	1.9
462.92502	1.7
469.15042	3.4
481.14767	5.0
485.16843	1.4
499.16016	2.0
517.16748	7.2
517.29449	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1345
Annotation	Formononetin 7-O-glucoside-6''-malonate
Peak:m/z	Relative Intensity
55.05487	0.3
56.96560	1.1
57.03421	0.2
67.05487	0.4
69.03447	1.2
71.05008	0.3
71.55899	0.4
79.05476	0.4
81.03417	0.6
81.07043	0.5
85.02914	0.5
86.09654	0.2
91.05488	1.0
93.07043	0.3
95.04936	0.3
97.02896	0.7
98.97626	0.3
103.05433	0.2
105.07052	0.3
107.04981	1.6
107.08643	0.3
107.20041	0.2
108.02076	0.2
109.10181	0.4
109.10957	0.2
115.00692	0.2
118.04180	2.7
119.04948	0.4
119.08561	0.2
122.03663	0.3
123.04356	0.3
127.03904	0.5
131.00198	0.3
131.04965	0.2
131.38358	0.2
133.02855	0.5
133.06490	0.6
136.01563	0.6
137.02357	0.6
137.05992	3.0
147.04402	0.7
151.03990	0.2
151.07516	0.3
154.02612	0.9
158.07260	0.3
161.05969	0.4
162.06764	0.3
163.03883	0.3
167.07115	0.5
175.03986	0.3
177.05502	0.4
181.06522	0.7
182.07310	0.3
183.06883	0.3
185.09708	0.2
186.03108	0.2
195.08128	0.3
197.05998	1.6
198.06766	0.6
201.05467	1.6
213.09157	5.1
225.05563	0.5
226.06274	3.3
233.05952	0.3
234.06725	0.5
235.07356	0.3
237.05513	4.8
249.09018	0.4
253.04987	4.1
254.05777	5.4
262.06287	1.0
263.06985	0.4
269.08109	100.0
270.08478	1.4
273.05353	0.3
277.08548	1.2
285.10205	0.5
290.05719	0.9
293.08142	0.6
295.15915	1.0
303.11124	0.3
305.08206	1.8
307.09595	0.6
309.11154	0.3
324.96118	0.2
325.10553	1.4
337.10724	3.1
337.16696	1.1
347.14005	0.2
350.69824	0.3
355.11743	1.0
383.14096	0.3
457.21262	1.2
499.15765	0.3
517.16534	0.7
517.29596	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.1
55.05267	3.5
55.05519	54.2
55.45102	2.3
57.03446	35.5
57.07080	56.4
65.03905	2.4
67.05511	75.8
69.07074	94.9
71.04983	6.9
71.08639	41.1
71.55801	2.2
75.04496	15.5
79.05496	38.3
81.06584	5.3
81.07063	100.0
83.04971	8.8
83.08622	68.2
85.06547	3.6
85.10189	23.5
91.05486	12.0
93.07051	45.7
95.04974	2.7
95.08611	96.4
97.06529	16.1
97.10181	49.0
99.11729	4.9
105.07046	8.0
107.08614	33.4
109.10163	48.8
111.08092	15.5
111.11727	17.5
113.06020	3.3
115.07571	4.2
117.07038	5.0
119.08589	7.2
121.10144	38.9
123.11709	21.9
125.08656	2.4
125.09618	10.9
125.13313	4.6
129.07022	2.8
129.09129	3.0
131.07121	5.8
131.08562	5.3
133.10132	4.7
135.11711	39.2
137.13249	7.3
139.11208	10.6
143.10635	4.1
149.13272	22.6
151.14810	3.1
153.12790	7.4
159.11736	3.1
163.14824	8.6
167.14334	5.9
171.13800	4.3
177.16402	5.5
181.15868	7.2
185.15347	2.6
191.17850	3.1
199.16966	3.5
209.19048	4.4
221.57280	2.8
223.20657	3.6
251.23880	2.5
263.97464	3.1
281.66876	2.7
303.30600	11.9
321.31592	16.0
331.29959	18.2
349.31021	43.6
363.87622	2.5
385.33167	80.2
386.33322	2.9
423.34781	51.4
441.35831	72.2
497.38397	26.8
515.39264	55.6
518.31403	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	516.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32677	1.1
56.96583	1.2
68.58524	1.1
70.60136	3.9
74.61923	1.2
79.05504	1.3
85.02887	1.2
86.09692	1.4
94.06575	2.3
97.02888	1.3
98.97585	1.5
106.06565	3.3
107.08572	1.4
111.18458	1.2
122.02399	37.6
122.06030	1.6
134.06032	2.9
138.05515	1.5
148.07681	1.4
152.06021	1.2
152.07104	4.4
160.07613	1.5
162.54205	1.3
164.03499	1.5
170.09706	1.5
182.04512	25.7
187.12424	2.8
196.06075	17.1
198.09262	2.1
199.08707	6.0
200.09404	2.4
201.10255	4.8
213.10252	6.7
214.11038	4.8
215.11798	15.0
222.70367	1.2
225.10281	1.7
227.08247	1.6
227.11836	3.1
228.12579	2.2
229.09702	1.9
229.13274	1.4
230.11745	1.6
231.11365	1.6
241.09695	2.7
243.07655	2.0
243.11313	49.2
255.07628	1.8
256.12109	3.0
257.12894	3.8
259.10867	3.0
267.11108	1.6
269.09061	1.8
273.12469	5.8
274.13138	10.3
281.15881	1.2
285.12369	100.0
291.11337	1.3
302.12762	4.0
303.13425	78.2
304.14450	1.2
304.50644	1.2
306.12338	2.1
318.12488	2.4
336.13440	2.1
346.11884	4.0
347.12885	1.5
359.13156	1.4
360.13599	2.7
361.11874	1.7
364.13092	2.1
375.12396	2.7
378.14734	2.1
380.16061	2.7
392.16177	1.8
402.14523	1.8
403.13303	1.6
405.13998	5.1
406.14063	3.3
420.15488	2.1
422.17017	6.1
424.14990	1.3
448.15085	26.3
449.13605	3.6
466.16177	44.7
480.17801	1.3
484.16940	4.2
498.18491	3.9
516.22791	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
55.01870	3.0
55.05518	17.1
57.03447	7.2
57.07070	3.6
65.03933	2.8
67.05510	55.9
69.03439	1.4
69.07076	16.5
69.83120	2.9
69.83534	4.0
70.93341	1.2
71.01361	2.0
71.04987	3.5
77.03870	2.1
79.05502	53.1
79.05965	3.0
81.03424	3.3
81.07064	40.9
83.04994	9.4
83.08619	7.4
85.06550	2.9
86.06071	1.4
90.04142	1.3
91.05489	30.1
91.28394	1.1
93.07053	58.8
95.04955	6.5
95.08619	32.2
97.06538	8.0
97.10177	8.8
98.21500	1.6
99.08092	3.0
105.07040	18.6
107.08604	33.1
109.06532	1.9
109.10160	14.1
111.08074	3.5
111.85710	1.4
113.06021	1.3
117.07024	11.8
119.08592	15.8
121.10146	16.5
123.11714	4.0
125.09621	3.1
129.07008	5.2
131.08577	14.4
133.10133	15.2
135.11703	39.1
137.09612	3.2
143.08574	6.4
145.10133	16.9
147.11694	6.7
149.13298	4.3
153.12749	1.6
155.08545	3.8
157.10152	5.4
159.11702	9.3
161.13266	5.7
163.11234	5.1
165.09111	3.2
169.10127	2.8
171.11732	5.5
173.13274	6.3
175.14828	2.8
181.10161	2.5
181.12257	5.6
183.11731	3.4
185.13335	2.7
187.14850	4.4
199.14915	2.8
201.16408	1.3
211.14925	1.7
223.14929	1.7
261.22104	6.5
287.08829	1.3
311.23972	1.4
317.24820	1.4
345.13184	1.5
389.27344	1.5
405.31479	2.1
423.32520	9.1
441.33627	4.3
446.16766	1.4
497.36334	4.0
515.37378	100.0
516.37653	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	515.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03038	1.9
53.03944	6.1
55.01856	1.6
55.05310	2.0
55.05517	19.5
57.03435	3.8
57.07064	3.2
65.03939	3.0
65.23494	1.4
67.05510	52.2
69.03414	1.9
69.07063	17.5
71.04995	5.0
71.54804	2.2
79.05498	47.4
81.03415	4.5
81.07066	40.5
83.04984	5.0
83.08618	6.8
83.57392	1.3
85.06536	2.1
91.04908	1.8
91.05486	31.9
93.07050	51.1
95.04976	6.1
95.08613	28.9
96.73251	1.3
97.06536	8.5
97.10158	4.6
99.08121	2.3
102.32639	1.5
105.04559	2.2
105.07039	17.5
107.08605	30.4
109.10166	9.1
117.07012	12.4
119.08592	18.2
121.10169	16.1
123.11693	2.8
125.09605	2.5
129.07001	3.6
131.08569	16.0
133.10146	12.1
135.08002	1.9
135.11703	36.1
143.08583	5.1
145.10132	16.8
147.11754	5.0
149.13251	2.9
153.12740	1.6
157.10141	6.1
159.11728	8.9
161.13260	4.2
163.11157	4.7
169.10139	1.9
171.11729	4.4
173.13300	8.5
181.12231	3.9
183.11729	3.2
185.13243	3.4
187.14867	3.3
195.11838	1.8
197.13397	1.9
199.14915	2.1
204.88089	1.8
211.14932	2.3
223.14786	1.7
261.22226	3.9
283.82886	1.7
315.23251	2.1
405.31326	2.1
423.32666	7.3
441.33704	3.7
497.36313	3.3
515.37384	100.0
516.37457	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	515.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.4
54.41031	3.5
55.05520	22.1
57.03445	7.8
57.07069	5.2
61.02934	4.9
65.03935	3.5
67.05505	95.7
69.03419	9.9
69.07069	22.6
69.79750	7.1
69.80161	16.9
70.09933	4.1
71.04975	6.0
73.02938	4.1
79.05496	73.0
79.48566	4.3
81.03411	8.2
81.07059	100.0
82.03792	4.4
83.08613	9.2
85.02885	9.0
91.05498	47.5
93.07047	77.4
95.04972	12.4
95.08603	73.7
97.02890	5.8
97.06522	6.8
97.10175	7.3
98.15347	3.9
98.21538	4.5
99.08071	4.5
103.03915	5.6
105.07042	33.7
107.08596	47.6
109.06506	12.4
109.10170	37.1
117.07031	19.0
119.08604	25.6
119.09320	4.4
121.10140	37.2
123.08064	5.2
123.11716	16.9
129.06969	8.1
131.08575	26.4
133.10168	20.8
135.07968	4.2
135.11719	36.4
143.08577	5.9
145.10117	27.9
147.11699	16.1
149.13261	23.0
151.11197	4.8
155.08510	4.6
157.10149	8.9
159.11696	19.2
161.09535	5.6
161.13245	15.5
163.11206	3.6
163.14847	14.0
171.11609	4.9
173.13277	17.8
175.14755	4.0
177.16293	3.8
187.14781	13.8
214.77477	3.7
243.21115	26.5
261.22122	79.2
306.27509	5.4
311.56250	4.0
335.25909	7.9
345.24298	6.0
353.26913	16.9
398.38989	3.9
515.37274	20.8
536.27924	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	515.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	14.5
55.05516	22.0
56.02685	7.1
56.96561	9.4
65.44922	6.1
67.05513	82.2
69.03437	21.6
69.07078	20.6
69.45156	52.5
70.93457	7.3
71.04978	7.2
75.68885	7.1
79.05499	54.9
81.03411	21.4
81.07068	100.0
83.08651	11.6
86.10368	8.1
91.05488	56.3
93.07061	74.6
95.04982	15.3
95.08613	66.2
97.02892	10.1
99.08139	6.9
105.07040	52.4
107.08566	40.0
109.06544	8.2
109.10156	30.5
117.07018	16.8
119.08591	29.8
121.10150	50.3
123.11688	15.3
131.08571	30.7
133.10109	29.7
135.11696	29.0
136.56288	6.3
145.10043	16.0
147.11726	23.5
149.13292	13.8
155.08582	13.5
157.10097	10.2
159.08063	8.1
159.11674	22.5
161.13266	11.5
163.14809	13.7
167.08505	7.6
171.11717	11.7
173.13243	26.0
185.13426	9.7
187.14868	15.3
194.26332	7.3
243.21138	16.0
261.22168	53.1
272.52325	8.2
301.21295	8.6
303.23282	9.9
335.25882	11.2
345.24344	12.3
353.26828	21.9
358.16412	20.3
497.31284	9.9
515.24103	15.7
515.37415	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	515.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62011	0.3
54.05563	0.4
67.05494	0.3
69.61449	1.3
69.61851	0.7
91.05490	0.4
93.07064	0.6
95.08593	0.3
98.20753	0.6
107.08646	0.4
109.58173	0.3
145.10217	0.3
185.04094	0.3
203.05286	1.0
210.38451	0.3
259.07935	0.4
285.86331	0.3
348.22714	0.3
446.16870	0.3
463.60568	0.4
515.31940	100.0
516.32178	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	515.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94516	4.9
52.49867	4.9
53.03966	5.1
55.05508	21.2
57.03437	16.7
57.07078	6.3
60.04333	5.0
61.02923	9.4
67.05170	8.0
67.05511	93.3
69.03432	16.6
69.07069	21.0
69.52789	11.8
69.53204	26.0
71.01385	5.8
71.05000	5.1
79.05504	57.6
81.03431	12.3
81.07075	100.0
83.05009	10.1
83.08627	12.3
84.03155	5.7
85.02913	15.2
91.05491	52.6
93.07066	67.2
95.04945	6.6
95.08625	76.8
97.02892	5.5
105.07032	33.6
107.08608	41.2
109.10155	32.4
109.66496	5.6
111.04494	5.4
117.07030	16.6
119.08590	23.7
121.10138	30.3
123.11746	15.1
129.07034	10.9
131.08575	24.2
133.10118	29.1
135.11729	28.5
145.10124	16.6
147.11740	12.4
149.13235	18.2
159.11694	14.3
161.09679	6.3
161.13280	10.7
161.50002	5.5
173.13277	19.8
187.14825	9.9
223.47260	6.7
243.21140	11.7
261.22226	50.9
303.23270	6.4
315.23615	5.1
335.25797	23.0
353.26929	9.8
358.16312	7.1
363.26233	5.9
369.24377	13.8
419.27798	12.2
461.28766	6.5
515.26312	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	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.8
54.35361	2.1
55.01865	2.7
55.05515	23.5
57.03426	9.1
57.07059	6.5
61.02919	5.2
65.03929	3.1
67.05507	98.4
68.97617	2.2
69.03419	8.3
69.07066	21.5
71.04985	3.2
73.02896	2.8
79.05072	3.3
79.05497	57.3
81.03401	3.9
81.06593	5.1
81.07063	100.0
83.04982	3.5
83.08614	7.9
85.02889	8.2
90.38252	2.5
91.03952	4.1
91.05484	40.8
93.06490	3.9
93.07049	68.2
95.04959	3.6
95.08611	79.9
97.02887	6.1
97.06511	5.3
97.10149	3.7
99.04443	2.7
99.08071	4.6
103.03917	2.5
105.07040	31.3
107.04934	4.3
107.08598	44.2
109.06499	5.2
109.10167	40.5
109.10896	1.7
111.08089	4.3
117.07003	15.1
119.08576	26.7
119.75350	3.3
121.10154	44.2
123.08081	2.4
123.11703	18.1
127.03934	2.6
129.07011	6.2
131.08588	27.6
133.10143	23.0
135.10699	3.3
135.11696	30.0
137.09622	4.0
137.13245	6.5
139.11148	4.1
143.08546	5.5
145.10130	20.1
147.11702	17.0
149.13257	18.6
151.11195	3.1
155.08511	3.2
157.10083	4.0
159.11723	15.9
161.13243	15.4
163.14812	12.6
171.11752	3.8
173.13249	15.1
175.11223	2.3
175.14807	3.5
177.16368	5.1
179.14259	3.6
187.14845	14.7
243.21074	24.3
261.22141	71.0
279.23267	3.9
317.24750	4.6
335.25806	26.1
345.23911	3.2
351.23465	2.4
353.26932	15.3
419.28201	2.9
497.31073	8.1
515.37720	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	514.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05524	3.1
68.67006	2.2
69.07084	5.6
70.06589	4.6
70.67223	5.0
70.67551	2.2
80.05019	2.3
85.15208	2.2
93.73318	2.2
94.06572	12.4
95.04979	2.7
98.06071	3.2
98.97590	7.5
105.25587	2.2
108.04485	28.8
112.07593	3.4
118.06557	2.4
122.06040	49.7
123.04467	3.7
124.03983	3.3
137.85857	2.7
140.07074	100.0
146.06026	45.3
148.07555	2.3
150.05455	4.3
168.06532	23.0
172.03929	17.1
173.04759	14.5
174.05527	67.5
191.05809	7.7
192.06566	3.6
204.06578	22.0
206.08159	15.4
239.11971	3.1
267.11230	4.9
281.09290	5.3
285.12283	12.3
295.10849	3.9
297.12372	3.5
298.10352	2.7
299.10172	10.4
313.11807	66.4
323.10352	3.7
324.11185	4.6
331.12952	4.7
341.11353	39.7
373.13953	21.2
412.53937	2.6
440.18051	5.6
464.18210	4.0
482.19312	99.6
496.20743	8.5
500.19724	3.0
514.20129	15.6
515.18909	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	514.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85161	3.8
53.03933	5.7
55.01892	3.7
55.05517	6.1
56.96564	5.2
57.03442	6.3
67.05508	12.9
69.03429	5.1
69.07069	6.0
70.06594	16.0
71.55186	3.7
79.05499	12.1
81.03426	100.0
81.07069	9.1
83.04995	7.1
83.08624	23.0
85.02900	6.1
86.09702	23.3
91.05475	15.4
93.07047	7.3
95.04972	35.0
95.08616	5.9
97.02887	6.1
97.06544	3.3
98.97585	11.9
105.07036	9.2
107.04961	7.0
107.08595	4.1
109.06580	3.5
111.08082	12.5
114.09141	4.5
116.98653	5.2
119.08573	9.1
120.08087	2.8
121.10154	6.1
129.07042	6.5
131.08614	7.9
133.10161	8.2
140.07060	3.9
146.06003	3.3
147.08116	5.3
147.11720	10.6
149.09647	6.4
157.10204	7.9
164.07230	3.4
164.10770	3.6
168.06514	4.0
175.11259	15.9
176.03650	5.9
192.10252	4.5
193.10567	3.0
193.12274	81.7
211.13272	7.4
235.13422	3.7
239.11946	5.6
241.25436	3.4
267.11374	4.8
267.15948	59.9
285.17010	78.6
294.33728	3.3
295.10834	3.8
297.12396	3.7
302.13086	3.3
309.16833	8.5
313.11914	17.7
341.11328	7.6
373.14020	44.1
478.16217	4.3
496.17368	4.9
514.18634	6.6
515.21118	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	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83836	3.4
53.03941	14.5
55.01889	4.0
55.05519	33.5
56.02865	3.5
56.96574	4.1
57.03441	44.6
61.02936	30.5
65.03956	4.1
67.05175	6.0
67.05510	95.7
69.03433	39.4
69.07066	24.5
71.01366	5.7
71.04989	23.2
71.55479	5.1
71.55859	5.0
73.02916	13.6
79.05500	79.2
81.03430	32.1
81.07065	100.0
83.04980	13.8
83.08622	16.5
85.02918	43.1
85.06543	5.7
91.03949	13.0
91.05483	72.6
92.08542	3.7
93.07050	93.1
95.04997	7.9
95.08047	8.0
95.08611	71.1
97.02905	30.0
97.06540	6.6
97.10143	8.0
99.04453	14.6
99.08132	6.2
101.02400	13.4
103.03954	6.8
105.07043	54.0
107.04974	5.5
107.08608	60.2
109.02901	10.9
109.06522	11.0
109.10172	31.2
111.04468	6.6
111.08086	9.3
117.07013	22.9
119.08606	44.9
121.06520	4.0
121.10156	44.2
123.08093	5.7
123.11723	6.1
125.09605	5.9
127.03938	22.0
129.05455	18.2
129.07010	9.5
131.08594	27.2
133.10149	41.4
133.37550	3.9
135.08023	5.1
135.11035	3.1
135.11734	36.1
143.08553	9.0
145.05083	5.7
145.10139	27.4
147.11696	32.2
149.06021	5.6
149.09636	5.1
149.13255	16.9
156.20576	4.3
157.10127	11.7
159.11714	25.5
161.13274	16.5
163.11209	5.3
163.14830	5.0
167.59044	4.8
171.06479	4.4
171.11714	11.1
173.13269	13.3
175.14838	9.6
185.13319	13.6
187.14838	16.4
199.14769	9.4
200.20119	7.1
201.07607	4.8
203.14268	4.6
222.99443	4.1
229.14352	5.9
241.19554	11.8
259.20593	33.7
277.21652	39.5
333.24258	12.5
341.10309	6.4
351.25278	61.4
423.27573	4.9
425.75247	4.7
513.30377	8.8
514.27997	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	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.8
55.05507	22.1
56.96561	8.4
57.03436	14.7
61.02919	17.2
67.05513	57.7
69.03445	8.2
69.07065	14.4
71.37700	13.2
73.02897	8.9
75.08170	4.7
79.05499	44.2
81.03408	13.7
81.07067	54.6
83.04967	9.8
83.08627	10.4
85.02915	14.2
91.03974	7.1
91.05496	42.6
92.05838	6.9
93.07064	57.6
95.04953	9.5
95.08603	30.0
97.02885	13.1
97.06513	6.5
97.10149	8.5
105.07053	37.8
107.08604	23.9
109.10174	14.3
117.06996	13.0
117.75179	6.3
119.08606	27.2
121.10111	28.3
125.09645	10.2
129.05444	6.3
129.06999	12.6
131.08575	19.2
133.10149	37.2
135.11717	21.6
143.08597	10.9
145.10130	23.4
147.11679	26.3
149.13303	11.3
157.10204	13.8
159.11700	19.2
161.13280	26.5
175.14848	9.9
198.05374	6.9
217.15863	6.0
241.19501	16.8
256.50705	6.4
259.20575	37.7
351.25342	100.0
423.27313	10.2
459.27661	5.9
495.29315	11.2
513.30273	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	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16792	3.4
55.05516	15.8
56.96561	6.1
57.03441	9.7
60.05572	3.3
60.73709	3.7
61.02943	8.5
67.05515	47.0
69.07070	19.5
71.05004	5.6
73.02914	5.1
79.05507	37.4
81.03419	8.1
81.07063	100.0
82.75494	3.6
83.04987	6.4
83.08634	13.3
85.02913	9.5
85.06538	10.7
85.82001	3.5
88.92884	3.9
91.03922	4.3
91.05501	37.1
91.33305	3.8
93.07056	34.8
95.04970	6.1
95.08607	24.1
97.06547	12.8
97.10211	4.5
105.07051	43.4
107.08611	26.3
109.06516	7.5
109.10188	11.3
117.07066	8.8
119.08588	38.9
121.10170	20.5
123.08053	6.0
123.11720	21.7
127.03892	3.9
128.51233	4.1
129.07059	5.1
131.08604	11.2
133.03151	3.7
133.10146	14.6
135.11700	15.7
145.10156	12.1
147.11708	54.9
149.13252	8.7
157.10191	8.6
159.11655	5.7
161.13307	9.3
165.12788	23.4
171.11731	3.8
172.66475	3.9
173.13341	4.4
175.14804	4.7
183.13776	4.0
193.12268	5.4
229.14455	7.3
241.19563	10.0
255.49834	4.4
259.20786	19.7
267.15942	52.3
285.16977	53.9
351.25299	48.2
477.28531	7.6
495.29767	19.7
513.20679	9.2
513.26892	17.3
532.50616	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
55.05491	3.7
56.96547	1.4
67.05491	5.2
67.47334	1.1
69.03423	2.4
69.07061	3.2
71.04988	1.7
73.91178	1.2
79.05484	3.6
81.03411	2.5
81.07057	8.7
83.08585	2.5
85.02892	3.0
85.06551	2.3
85.54944	1.2
91.05467	4.6
91.07834	1.1
93.07024	5.3
95.04950	1.8
95.08614	5.9
97.02895	2.0
97.10142	2.8
98.21514	3.9
99.04428	2.0
105.07056	6.1
107.04916	2.0
107.08570	5.1
109.02875	1.6
109.10118	3.6
116.98552	1.4
117.07012	1.3
119.08558	3.8
121.06541	1.2
121.10123	1.8
125.05953	1.2
131.08528	2.3
133.10112	2.4
135.11644	1.9
145.10231	2.0
149.02318	1.7
149.09558	1.2
157.10114	1.5
161.05960	2.3
161.09587	1.9
163.11130	1.3
163.14716	1.3
167.03307	1.2
169.10205	1.5
243.13927	1.6
247.16765	1.9
265.17789	18.9
269.07880	2.1
289.05191	1.3
289.14337	1.3
409.21423	1.6
421.23730	1.7
427.23029	14.7
439.24875	2.5
469.24124	37.5
495.28857	1.6
513.22913	100.0
513.28510	6.4
514.23572	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	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.5
55.05507	12.5
56.96577	3.0
57.03429	8.5
61.02922	17.5
67.05508	45.1
69.03438	9.5
69.07072	10.3
70.72052	7.9
70.72388	2.9
70.76201	3.0
71.05000	3.5
73.02916	3.9
79.05505	34.4
79.54478	3.0
81.03410	7.1
81.07063	41.5
83.08629	6.6
85.02920	11.6
85.06602	4.3
91.03968	7.8
91.05478	29.2
93.07059	56.4
95.08606	26.2
97.02894	9.0
98.97560	3.1
99.04501	4.3
103.03981	4.5
105.07038	32.4
107.08599	31.8
109.06462	3.6
109.10180	13.5
117.07029	10.4
119.08592	35.3
121.06537	2.9
121.10159	23.3
129.07036	7.1
131.08606	14.7
133.10139	32.2
135.11673	24.4
143.08578	7.6
145.10081	14.9
147.11700	33.6
149.13283	21.0
157.10164	9.5
159.11668	18.0
161.13281	19.9
163.11218	4.0
163.14766	5.4
171.11684	15.0
173.11919	3.3
173.13292	9.6
175.14854	11.8
177.12715	4.0
185.13318	7.3
187.14833	3.5
190.06581	3.0
197.13342	3.9
209.13223	3.5
213.09410	3.9
213.16498	4.4
241.19437	18.6
245.12978	3.1
259.20572	47.1
277.21664	11.2
310.63391	3.4
333.24060	4.7
333.95978	3.4
349.24054	4.2
351.25311	100.0
441.26294	8.5
459.27136	4.2
495.29636	8.7
513.28638	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	512.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01872	1.8
55.05512	4.8
56.05033	3.7
56.96561	1.5
57.03439	3.4
57.07076	1.5
60.04535	100.0
61.02924	2.6
65.88859	1.2
67.05511	12.8
67.60492	1.0
69.03440	7.8
69.07079	6.8
70.06599	3.3
71.05000	1.9
72.04515	4.6
73.02917	1.2
74.06064	5.7
79.05507	7.1
80.05036	2.3
81.03436	4.3
81.07063	18.0
82.06587	2.0
83.05007	1.9
83.08632	3.1
84.04532	1.3
85.02917	29.4
86.06085	2.8
87.04501	1.2
90.05579	1.5
91.05502	5.9
93.07059	8.6
95.04987	2.8
95.08622	13.9
96.08147	2.1
97.02895	7.4
97.10191	2.3
98.06061	1.5
98.97585	1.1
99.04470	1.3
102.05543	3.8
104.07093	2.3
105.07040	4.2
107.08604	4.1
109.02899	2.3
109.10173	5.8
111.08078	1.4
112.07616	1.3
116.07092	2.7
116.98650	1.3
117.06960	1.4
119.04952	1.0
119.08599	2.6
120.08154	1.8
121.02909	2.2
121.06491	1.3
121.10163	8.4
122.09719	1.2
123.11710	3.2
127.03938	3.7
131.08614	1.6
133.10120	3.2
135.11723	3.9
137.06003	1.5
137.13176	1.5
138.61472	1.1
145.04984	2.7
146.06042	1.6
147.11711	1.5
149.13268	2.0
153.12733	1.1
159.10628	1.1
188.09030	1.3
195.02919	1.2
205.19579	1.4
206.08141	1.7
206.10310	2.4
219.21068	1.9
224.11351	3.3
248.23947	1.6
260.23819	1.7
267.10052	1.1
278.24786	7.7
295.06110	4.2
296.06503	9.5
296.25949	10.8
307.05865	1.9
308.06378	3.7
309.07373	1.6
310.08023	2.7
314.26917	18.5
325.07285	2.3
326.07541	6.9
332.27991	44.4
336.09659	1.6
338.07468	2.0
350.29047	90.6
364.09131	2.2
366.06854	3.0
371.12216	1.8
392.08411	3.6
392.29974	2.1
409.09204	2.7
410.09512	13.8
428.10458	3.8
433.09393	1.2
440.29922	1.5
458.31213	2.2
476.32642	1.6
494.33304	7.7
512.34375	62.4
513.13226	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.1
55.05515	13.3
57.03435	6.7
60.50199	2.9
61.02935	19.0
66.00616	2.1
67.05212	3.0
67.05512	29.0
69.03436	7.6
69.07074	16.7
71.04995	3.8
71.55544	4.1
73.02913	7.7
76.64029	2.6
79.05499	19.6
79.17996	3.0
81.03430	19.1
81.07067	40.1
83.04974	7.4
83.08600	7.7
85.02905	11.5
91.03946	8.5
91.05482	28.4
93.07066	20.3
95.01350	2.7
95.04977	7.3
95.08635	16.8
97.02896	13.8
97.06542	15.1
97.10149	2.6
99.04455	4.5
101.02402	4.0
105.07049	39.7
107.04960	7.2
107.08578	13.4
109.02840	2.7
109.06465	3.6
109.10188	12.5
117.07030	7.0
119.08608	17.1
121.06528	2.6
121.10177	8.6
121.86508	2.4
125.09521	2.6
127.03936	6.2
129.05408	2.8
129.06955	4.0
131.08600	12.8
133.10127	23.9
135.11664	4.6
137.09705	3.0
142.47911	2.5
143.08572	6.1
145.10127	13.1
145.17003	2.5
147.11684	10.8
149.09622	4.9
150.60309	3.3
151.11171	3.2
157.10138	6.0
159.11639	6.0
172.00574	2.4
173.11667	2.9
173.13301	2.7
179.14333	9.5
193.12315	4.6
242.22395	2.7
257.19180	2.8
275.20099	39.7
283.15225	8.3
339.17905	6.5
349.23627	16.7
457.25513	3.4
493.27530	6.1
510.88248	2.9
511.28763	100.0
512.29614	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	512.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07058	6.5
60.56245	3.6
61.82168	3.8
64.08695	3.7
67.05507	5.9
69.07072	8.6
69.37414	7.5
69.37817	23.2
79.05492	7.8
81.07072	7.4
88.07629	4.1
91.05491	8.7
93.07037	11.7
95.08620	9.3
98.20776	8.7
102.09192	4.8
105.07035	10.8
107.05032	3.6
107.08575	3.9
118.04161	5.7
119.08573	7.9
121.06515	18.9
121.10137	4.0
123.08064	5.3
129.07069	5.0
131.08603	17.2
131.93269	3.6
133.06499	30.3
133.10172	6.8
135.08073	14.9
136.11292	4.1
145.06474	6.6
145.10229	4.1
147.08015	6.4
157.10147	8.5
159.08093	8.3
161.06004	100.0
161.13213	8.2
173.09586	5.0
173.13277	11.9
184.80159	3.8
187.07530	9.4
191.14339	7.0
194.00478	3.4
201.12807	22.6
203.07071	5.1
205.08615	12.8
219.13814	15.9
229.12216	15.4
247.05984	5.1
247.13368	13.1
251.47397	3.6
255.06517	7.5
256.26382	17.9
265.14441	8.6
269.11395	3.3
273.07562	11.2
283.26376	19.8
289.10617	7.0
297.11279	21.8
315.12299	70.4
333.13354	43.5
381.13297	4.4
431.18555	12.3
449.19724	49.1
512.50452	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	511.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
53.20526	0.7
54.31283	0.7
55.01868	1.6
55.05513	5.3
56.96561	1.1
57.03434	2.5
67.05505	11.9
69.03426	2.5
69.07063	5.2
69.31030	4.1
69.31438	1.9
70.06569	0.9
71.01375	0.8
71.04987	1.9
73.02907	1.0
73.06889	0.7
79.05489	7.9
81.03417	9.0
81.07059	10.6
83.04980	3.0
83.08631	3.8
85.02890	3.5
85.06539	1.5
86.09763	0.8
91.05487	8.5
93.07043	11.1
95.04981	6.9
95.08609	6.3
97.02895	2.8
97.06543	2.7
97.10181	1.6
98.21557	1.4
98.97590	1.9
99.04478	0.7
105.07020	6.4
107.04945	2.4
107.08597	6.1
109.06518	1.5
109.10168	4.2
111.04446	2.0
111.08086	1.5
113.05991	0.7
117.07029	2.1
119.08575	5.6
121.06503	1.4
121.10160	5.2
123.04430	2.6
123.11735	1.8
125.09659	2.5
127.03921	1.2
128.06229	0.8
129.07004	2.5
131.08569	3.7
133.06407	0.8
133.10156	2.9
135.11713	3.2
137.05983	1.8
138.78130	0.8
139.11183	1.6
143.08615	0.9
145.04990	0.8
145.06503	0.7
145.10124	2.5
147.11711	2.3
149.06006	0.9
149.09653	1.7
157.10138	1.8
159.11749	0.9
161.13290	0.7
163.11179	2.9
165.12785	0.9
167.07011	1.0
171.11763	1.4
173.09734	0.8
175.11218	1.4
181.12280	0.8
182.66798	0.6
189.12755	1.0
191.10722	0.9
193.12267	4.9
205.08783	0.8
209.11723	3.7
211.13252	6.6
217.12253	0.9
219.13757	1.2
227.12823	1.6
229.14424	1.2
235.13347	2.6
237.09966	0.8
245.15306	3.7
249.10042	1.0
250.10800	1.4
251.11859	0.8
252.12178	1.0
259.06174	0.7
259.15411	1.4
263.11920	1.4
263.16211	18.6
264.12183	1.3
265.10129	0.8
265.14163	3.0
266.13788	2.0
267.16043	1.3
279.11285	3.0
280.11624	3.3
283.15402	2.4
291.15820	1.8
305.17249	1.8
309.12357	2.4
309.17050	1.5
310.12662	4.5
311.13419	2.0
313.07892	0.8
320.10980	0.9
337.11899	2.4
338.12177	8.9
339.13159	2.5
349.20087	1.9
369.14539	1.7
370.14917	6.2
371.15701	4.1
373.23230	1.0
383.22305	0.9
401.23196	2.0
405.14359	0.8
407.20288	1.0
425.21451	13.3
467.22525	44.9
468.22946	0.9
479.19958	1.0
491.70566	0.7
493.27875	4.0
511.21625	100.0
511.28836	8.7
512.21912	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	510.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
54.35887	0.7
55.01869	1.0
55.05502	2.6
56.05029	3.0
56.96576	1.1
57.03423	2.4
57.07072	1.5
58.06618	1.0
60.04532	100.0
60.34512	0.9
61.02932	1.5
67.05506	13.1
69.03447	8.7
69.07058	3.6
70.06586	1.4
71.04974	1.6
71.23982	0.8
72.04514	8.1
73.02924	1.3
74.06076	3.4
76.19312	0.8
79.05496	8.2
80.05006	1.6
81.03420	4.9
81.07059	11.8
82.06576	2.3
83.04987	1.7
83.08601	2.2
84.04500	1.7
84.08148	1.1
85.02444	1.0
85.02914	18.9
85.06536	2.4
86.06062	2.3
87.04472	1.6
90.05548	1.0
91.05489	9.3
93.07031	9.0
94.06571	1.8
95.04987	2.1
95.08632	7.7
96.04465	1.1
96.08152	1.0
97.02912	7.1
97.06529	1.4
98.06027	1.0
98.97631	1.0
99.04435	1.7
102.05563	2.5
103.75992	1.0
104.07098	3.3
105.07043	6.2
106.04182	1.1
106.06557	0.9
107.04945	1.7
107.08597	4.0
108.08136	1.4
109.02872	3.7
109.06467	1.0
109.10160	3.2
110.06048	1.2
111.04483	0.9
111.08057	1.4
116.98605	1.1
117.07029	2.7
119.04891	0.9
119.08575	4.5
120.52034	0.9
121.02863	0.9
121.06510	1.4
121.10143	4.6
123.11681	1.7
124.07615	2.0
127.03930	3.5
129.07019	2.4
131.08571	3.7
133.10162	4.5
135.08057	1.1
135.11681	3.4
136.07591	1.2
137.05957	1.6
138.05484	3.1
143.08603	0.9
145.04921	2.1
145.10126	1.2
147.11679	2.1
147.97617	0.8
149.13274	1.5
153.12798	1.1
157.10103	1.6
159.11635	1.6
161.13277	1.4
173.13170	1.8
174.06860	0.9
184.86725	1.0
189.09077	1.6
206.10233	1.8
219.10118	3.4
224.11328	6.1
237.09795	1.2
259.20523	2.0
265.09750	1.1
276.23254	3.9
279.11133	1.1
294.24274	5.7
295.06073	5.8
307.05984	2.9
309.12442	1.8
312.25336	16.3
325.07147	1.4
330.26416	81.0
331.26651	1.0
337.11743	2.4
348.27469	2.5
354.25806	1.1
372.27325	3.1
389.08679	1.1
391.08099	2.1
403.12219	1.5
409.09109	4.1
427.10297	1.2
438.28281	1.3
456.29739	1.8
467.18533	1.2
474.30502	3.8
492.31744	61.9
493.31631	1.8
510.32718	2.8
511.18018	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	510.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.1
55.08444	0.1
55.87671	0.1
59.38325	0.2
60.04524	0.4
67.05500	0.3
69.03410	0.2
69.07056	0.7
69.70393	0.7
79.05477	0.2
85.02905	0.2
91.05475	0.3
93.05791	0.2
94.06544	0.6
95.08581	0.2
97.02914	0.2
98.20779	0.2
98.97577	0.2
110.06008	0.2
120.04460	0.6
122.06017	0.8
130.06544	0.2
136.07593	2.8
138.05511	0.2
140.07079	2.0
144.08076	0.2
146.06017	0.5
146.09633	1.7
151.03767	0.1
154.04976	0.7
162.05502	0.7
164.07085	3.1
166.08614	0.2
182.09625	0.2
194.09628	0.3
200.74295	0.1
206.08281	0.4
207.09242	0.4
209.10645	0.4
211.08777	0.4
211.12393	0.2
219.09248	0.3
220.09859	1.3
221.10713	2.2
222.09372	0.3
222.11485	2.3
223.12331	1.8
224.13078	0.5
225.10335	0.3
231.54564	0.2
232.09917	0.3
233.10602	0.3
234.11539	0.4
235.08647	3.3
235.12294	2.8
236.09377	1.2
236.12990	1.0
237.10236	8.5
237.13826	2.8
238.10983	1.0
238.14622	0.3
239.11711	0.9
246.11467	0.4
247.08751	0.7
247.12343	1.0
248.09444	6.7
248.13188	0.3
249.10234	9.6
250.11009	7.1
251.11813	9.6
252.12463	0.6
253.09744	0.2
253.13368	0.7
254.10646	0.2
255.11346	0.7
261.10254	0.5
262.11017	1.0
263.11810	22.4
264.09061	0.7
264.12555	4.1
265.09790	8.0
265.13370	30.4
266.10583	0.3
266.14038	1.6
267.11172	0.9
268.12048	0.6
269.12823	0.4
275.11899	0.4
276.08994	0.3
277.09744	6.3
278.10446	1.4
279.11288	17.9
280.12024	0.7
281.12723	1.0
282.13715	1.2
283.11328	0.2
283.14432	0.6
291.11295	7.0
292.12103	2.2
293.12854	5.0
294.10229	0.3
294.13605	1.5
295.10800	5.6
295.14221	0.5
296.11707	1.0
297.12350	4.5
298.12817	0.2
304.08514	0.2
309.12347	48.2
310.13123	16.5
310.16910	0.2
311.13882	2.7
312.25867	0.2
319.10767	9.1
320.11520	0.5
323.10284	0.3
325.11884	0.3
330.26590	0.2
337.11826	100.0
338.12601	32.5
339.13318	1.8
351.13461	0.2
352.14059	0.3
355.12897	0.3
369.14468	27.6
370.15237	9.1
370.20087	0.3
371.15851	0.6
434.20517	0.5
450.20206	1.9
450.56210	0.1
460.18747	0.4
472.09879	0.2
478.19766	12.3
487.41299	0.2
492.31097	0.2
496.21176	0.2
506.32263	0.2
510.22397	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.3
55.05493	0.6
67.05512	0.7
69.07069	1.1
69.47605	0.6
69.48029	0.6
79.05476	0.6
80.51060	0.1
81.03397	0.6
81.07081	0.8
83.08617	0.2
84.61179	0.2
85.02869	0.3
91.05476	0.9
93.05775	0.2
93.07022	0.5
94.06545	0.9
95.04948	0.3
95.08569	0.4
97.02885	0.2
97.06542	0.2
105.07038	0.2
107.04969	0.2
107.08566	0.3
108.08090	0.4
109.10149	0.2
118.06534	0.2
119.08565	0.3
120.04462	0.5
120.08062	0.2
121.10097	0.3
122.06055	1.3
122.06834	0.3
133.10101	0.2
134.05942	0.2
134.10446	0.2
136.07581	2.9
140.07077	2.5
144.08022	0.4
146.05975	0.4
146.09659	1.6
147.08112	0.1
152.07054	0.3
154.04985	0.6
162.05499	0.8
164.07092	3.3
166.08589	0.6
167.07092	0.2
174.05530	0.2
178.06487	0.2
180.08145	0.2
181.08800	0.2
193.12227	0.3
194.09668	0.4
194.12497	0.2
205.09003	0.2
206.08295	0.5
207.09221	0.4
208.09958	0.2
209.10725	0.4
210.11551	0.5
211.08723	0.3
219.09268	0.5
220.09862	1.0
220.82399	0.2
221.10744	2.0
222.09337	0.2
222.11458	2.3
223.12248	1.5
224.09428	0.2
224.13068	0.4
225.13890	0.2
232.10013	0.4
233.08539	0.2
233.10683	0.3
234.07863	0.2
234.11514	0.5
235.08684	3.2
235.12288	3.0
236.09364	1.1
236.13011	1.2
237.10242	8.5
237.13824	2.8
238.10959	1.1
238.14641	0.3
239.11732	1.5
244.06001	0.3
245.10701	0.3
246.11465	0.3
247.08633	0.6
247.12331	0.8
248.09448	6.0
248.13164	0.4
249.10231	8.7
250.11014	6.4
251.11803	9.6
252.12447	0.6
253.09709	0.3
253.13377	0.9
254.10667	0.2
255.11232	0.4
261.10254	0.3
262.11057	1.3
263.11810	23.5
264.09030	0.6
264.12552	4.5
265.09775	7.6
265.13358	31.0
266.10379	0.2
266.14072	1.7
267.11343	1.3
267.13882	0.2
268.12134	0.6
269.12827	0.4
275.11798	0.4
276.08890	0.3
277.09738	6.3
277.12845	0.3
278.10507	1.9
279.11288	19.2
280.12003	0.8
281.12842	1.2
282.13794	1.0
283.14450	0.6
291.11285	8.2
292.12042	2.1
293.12891	4.4
294.10034	0.4
294.13617	1.7
295.10791	6.7
295.14093	0.4
296.11636	1.0
297.12354	5.2
298.12817	0.2
304.08350	0.2
309.12347	51.0
310.13113	17.3
311.13846	2.8
319.10809	8.4
320.11499	0.9
325.12012	0.3
337.11826	100.0
338.12598	33.0
338.16873	0.5
339.13351	2.2
352.14127	0.3
355.13168	0.2
369.14468	29.0
370.15210	9.9
370.19998	0.3
371.16019	1.9
434.20599	0.5
436.19205	0.2
450.20267	1.6
460.18973	0.3
478.19769	13.0
479.19849	0.4
492.26657	0.2
496.20776	0.3
510.22244	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01859	2.2
59.25538	0.7
60.04535	3.8
61.02911	0.7
65.03943	3.5
67.05492	1.8
69.03426	1.7
69.07085	0.6
69.77039	4.3
73.96114	0.6
75.04472	3.0
77.03931	0.8
78.04702	3.1
79.05481	2.4
81.03410	1.0
81.07030	1.0
83.55650	0.7
85.02905	4.9
85.06561	0.7
89.03924	0.9
91.05486	21.1
93.03403	11.0
93.07056	7.0
95.04974	4.6
95.08615	0.8
97.06554	3.4
98.21511	0.7
99.04433	1.6
103.05481	4.9
105.04524	0.9
105.07046	2.2
106.04182	28.3
107.04967	1.4
107.08601	1.6
109.06509	1.5
109.10162	1.4
117.03381	1.3
118.04182	0.9
119.04928	4.9
121.02865	1.7
121.06512	27.4
121.10110	1.3
122.07325	0.9
123.04435	1.0
123.08096	1.0
124.05216	0.8
125.05994	6.7
131.04926	1.4
133.10207	0.9
134.03650	4.6
135.08072	1.3
137.05966	6.4
137.09595	1.1
138.06693	0.8
139.07565	2.5
145.02866	1.6
147.04427	4.5
148.05182	2.4
149.05994	41.8
151.07552	2.0
153.05490	1.5
153.09113	11.3
159.07648	1.0
161.09641	0.9
163.07581	1.6
165.09131	1.8
166.06259	1.0
168.99513	1.7
177.05475	23.6
179.07039	1.3
181.08604	22.0
191.07079	1.4
193.03218	7.3
193.06612	0.9
195.02870	0.8
207.10196	1.4
209.08105	100.0
210.08432	1.6
227.16516	2.1
270.57947	0.8
281.37897	0.7
283.06049	2.3
295.05988	9.4
307.05978	5.8
309.07529	1.2
323.05521	1.0
325.07043	3.0
330.26431	2.6
335.09149	0.9
348.18533	1.8
348.27539	1.3
363.08487	1.3
391.08136	3.2
409.09216	8.6
421.09103	0.7
427.10294	1.5
475.10165	0.7
492.31686	0.9
510.32880	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95407	1.2
56.96566	2.1
60.04534	1.5
60.05645	4.0
64.40742	1.3
65.65309	1.3
70.06587	6.7
71.18284	1.2
71.55350	1.7
83.06111	13.8
85.02913	2.3
86.03544	3.8
86.06046	1.2
91.05476	3.3
97.07651	8.0
105.03399	2.2
115.08665	3.7
119.04963	2.2
120.04489	9.5
120.08118	1.3
121.02895	1.2
132.04488	1.9
134.05986	3.7
139.03995	1.2
141.06580	4.9
147.04424	6.8
158.06006	2.8
179.03362	1.4
187.08617	1.5
206.12924	1.8
211.02034	1.7
216.11349	100.0
217.11716	2.5
218.70303	1.2
219.01927	1.5
232.10738	2.8
233.13963	1.6
234.12395	28.7
260.10309	11.4
278.11221	1.7
317.16046	2.9
319.17719	3.7
363.16675	72.9
389.14395	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	510.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.0
55.01875	1.1
55.05504	2.4
56.96571	0.9
57.03434	2.2
61.02926	1.7
65.03945	2.6
67.05509	2.6
69.03429	4.4
69.07077	0.7
71.05005	1.5
73.02902	1.0
79.05492	1.7
81.03424	4.7
81.07066	2.8
83.08630	1.8
84.30518	0.8
84.97585	0.6
85.02910	11.7
85.06574	0.9
87.00843	5.1
91.05492	100.0
93.07050	1.5
95.04974	0.8
95.08642	1.2
97.02904	8.7
99.04446	2.9
100.11267	5.8
105.01890	4.1
105.07044	1.4
107.08599	1.4
108.71745	0.7
109.02907	5.9
109.06575	1.0
109.10193	1.5
118.59249	0.6
119.05000	0.8
119.08590	1.0
121.10201	0.8
127.03935	12.5
129.01787	0.6
133.10162	0.7
137.06007	1.2
139.43584	0.5
145.04967	6.1
147.04419	0.8
147.11795	0.6
159.02919	3.8
167.03448	2.8
182.15434	2.2
184.16985	1.1
210.14929	0.9
227.07079	1.7
228.15865	0.9
231.05077	1.5
245.08177	1.7
257.04501	1.5
258.04892	1.5
259.05701	0.6
309.21899	0.9
311.23541	1.0
333.39346	0.8
408.20419	0.6
464.18927	0.7
465.52545	0.8
509.40735	4.5
510.11154	5.1
510.41129	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01869	6.9
59.86024	2.1
65.03946	4.7
66.59792	1.9
67.76374	1.8
68.33113	1.9
69.59740	9.4
69.60148	4.1
70.06577	3.5
79.05486	6.0
81.03412	2.2
85.02904	5.3
85.22009	1.7
86.09731	3.0
91.04972	3.4
91.05492	46.9
93.03397	9.6
93.07029	6.8
95.04964	4.3
97.06543	2.7
102.78334	1.8
103.05463	14.7
105.03386	6.2
105.07018	7.4
106.04194	20.7
107.04980	10.6
109.06517	9.0
110.07178	2.2
115.05455	3.9
118.04190	2.2
119.04950	49.0
121.02872	14.2
121.06522	22.0
123.04458	3.5
123.08040	2.8
125.05982	6.0
129.07005	2.2
131.04985	9.9
131.05951	2.0
132.05717	6.2
133.06508	9.3
134.03674	5.3
134.11998	1.9
135.04448	2.1
135.08006	2.8
136.05203	3.5
137.06018	5.7
139.07596	2.1
145.02884	5.2
147.04390	13.2
147.08049	2.2
148.05174	3.4
149.05992	38.5
150.06702	2.0
151.07549	22.5
153.05547	2.0
153.09096	8.9
159.08029	6.5
160.05215	2.2
161.06001	30.6
162.06778	4.5
162.63644	2.2
163.07497	6.7
165.05473	4.5
167.07047	51.0
175.03802	1.8
175.07553	15.6
177.05484	25.1
179.07042	22.0
180.07802	7.7
181.08632	19.3
187.07559	15.4
189.01816	3.5
190.06137	3.5
191.07072	20.9
192.07800	9.1
193.06593	2.3
193.08620	2.4
203.03406	6.4
205.06783	4.0
205.08621	42.9
209.08104	100.0
210.08553	2.7
217.04935	2.8
217.08394	2.4
221.04524	2.1
223.04195	10.4
235.09608	13.0
255.02850	4.2
279.06494	2.6
283.06042	5.0
294.05389	3.5
295.06046	21.8
295.09396	3.2
307.06082	13.7
309.03366	1.9
309.07727	4.9
309.10959	3.6
321.07758	13.9
322.08282	2.2
325.07343	2.7
333.07513	8.0
335.09232	7.7
337.07156	3.7
339.12195	3.9
341.13959	5.0
345.07639	5.9
347.09015	3.1
349.07147	21.7
351.08600	3.0
359.15054	3.5
360.06140	2.6
361.07162	7.0
363.08624	3.3
371.14874	6.0
373.07001	4.8
374.07541	3.6
375.08429	4.0
379.07941	12.3
385.06592	4.0
387.08484	4.1
389.10397	4.8
391.08124	12.2
397.09280	10.3
403.08185	10.0
405.09961	2.3
409.09067	2.8
415.08023	3.2
417.09747	2.9
421.09113	9.0
427.09564	4.7
433.08737	3.1
445.09177	7.9
447.10550	3.1
457.09128	12.6
463.10229	5.2
475.10226	16.0
493.11328	31.3
511.12418	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	509.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.01863	3.0
55.05501	11.5
56.96563	5.0
57.03411	3.3
58.05369	2.7
65.80164	2.3
67.05514	26.4
69.03430	5.2
69.07060	9.8
69.23287	2.5
71.04990	4.3
71.55618	3.5
79.05489	16.1
81.03427	16.9
81.07059	23.8
83.04963	4.9
83.08627	9.3
85.02919	6.4
87.04465	2.7
91.05480	20.1
93.07044	14.7
95.04957	11.8
95.08615	16.3
97.02914	5.4
97.10180	5.6
98.97617	4.1
105.07040	13.4
107.04942	7.3
107.08582	11.9
109.02902	3.8
109.10168	16.9
111.04429	5.1
111.11695	3.5
114.21589	2.8
117.07011	4.8
119.01912	3.8
119.04898	4.1
119.08588	7.7
121.06477	3.9
121.10129	6.0
123.04411	3.4
123.11710	7.5
127.03979	3.3
129.07033	3.5
131.08575	6.8
133.10107	12.0
135.11676	5.2
137.05930	5.0
143.08517	4.2
145.10127	3.8
147.04430	7.1
147.11678	6.7
149.09657	3.8
151.11169	6.0
155.08458	3.0
161.02948	3.7
161.09647	4.5
163.11192	6.5
168.20630	2.8
193.12253	7.5
209.11816	8.3
211.13321	4.1
214.06407	2.7
227.12834	6.1
245.06308	9.5
261.11124	4.6
287.03693	10.9
289.02039	5.2
289.05304	91.2
373.23587	3.1
417.23029	3.0
465.24496	7.8
479.70615	3.5
491.22003	17.9
509.23508	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.6
55.01874	3.8
55.05516	9.4
56.96553	1.5
57.03424	3.4
57.07069	1.0
65.03939	0.9
67.05177	1.1
67.05508	16.1
69.03412	1.8
69.07074	5.8
70.99421	0.7
71.01356	0.8
71.04982	3.1
71.55932	1.3
72.08163	1.0
79.05071	1.1
79.05496	14.0
81.03425	6.4
81.07067	21.4
83.04999	4.2
83.08629	5.2
85.02919	4.4
85.06544	2.1
91.05487	13.9
91.88329	0.7
93.07054	16.4
95.04974	14.3
95.08604	11.0
97.02856	1.8
97.06506	3.3
97.10181	5.9
99.04482	0.8
99.08044	1.2
103.05479	1.2
105.07037	9.9
107.04972	7.5
107.08600	9.2
109.02906	0.9
109.06542	9.0
109.10159	9.7
111.04433	2.4
111.08092	1.7
115.05498	1.6
117.07027	4.4
119.04897	1.1
119.08598	7.1
120.89341	0.7
121.02834	1.4
121.06507	5.3
121.10153	8.0
123.04430	2.1
123.08054	1.8
123.11696	3.5
125.09631	4.8
127.03881	1.0
129.06947	2.0
131.04877	2.2
131.08563	5.6
132.05782	1.2
133.06468	1.9
133.10139	5.6
135.08104	3.9
135.11647	3.3
137.02309	2.4
137.09547	1.1
139.11157	1.5
141.07014	0.9
142.07797	1.0
143.08559	1.6
145.06467	2.2
145.10101	4.6
147.04459	1.0
147.08076	2.2
147.11674	2.6
149.02376	1.0
149.09608	3.1
149.13354	0.8
151.11174	2.5
153.12744	1.1
155.08485	0.9
157.06442	1.0
157.10121	2.3
159.08037	1.0
159.11644	2.1
161.05908	1.8
161.09618	1.1
163.11211	4.3
165.09077	0.9
165.12758	0.8
165.60219	0.9
167.07095	5.0
167.10670	3.1
169.06471	1.1
169.10194	1.1
171.08073	1.1
171.11688	1.5
173.09663	1.4
173.13258	1.8
175.11223	1.0
177.12746	1.6
181.12178	1.5
183.11702	1.0
187.11227	0.9
189.11201	1.6
191.14250	2.0
193.12221	3.6
199.13249	2.2
200.04718	5.8
201.12865	0.9
205.12242	0.9
207.10210	0.9
209.11714	2.3
211.13310	2.6
215.06964	3.2
219.13820	4.7
223.13219	2.1
227.05298	1.6
227.12758	3.6
228.04092	1.6
233.15337	1.5
243.06505	0.9
245.06262	2.2
267.15826	1.1
271.03677	1.6
271.06488	4.5
273.16916	2.4
283.15347	1.3
287.03699	4.0
289.05316	24.6
290.05411	1.0
293.17416	3.6
293.28241	0.9
299.02374	1.2
299.05527	9.5
299.14792	1.0
300.06055	0.8
309.07608	1.0
311.06049	0.9
325.07080	2.2
340.13715	1.1
349.21472	1.1
359.26163	1.0
367.22885	5.1
385.23599	5.0
403.24570	2.2
423.23489	3.9
441.26620	1.1
447.23383	2.2
459.10519	3.4
459.27301	4.6
465.24588	7.8
477.28790	1.8
491.22647	3.2
491.29932	2.5
509.23465	100.0
510.24152	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	509.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91634	0.7
53.03945	1.9
55.01867	2.3
55.05511	8.2
56.96573	1.4
57.03440	2.1
58.79433	0.7
59.04990	0.8
61.02937	0.9
62.18280	0.8
65.03942	0.7
67.05508	12.3
69.03414	2.5
69.07072	4.5
70.06575	0.8
70.29138	2.4
71.04985	3.0
79.05074	0.9
79.05495	12.2
81.03417	5.7
81.07054	15.0
83.04969	2.6
83.08614	4.8
85.02893	2.4
85.06522	0.9
91.05485	10.9
93.07045	12.2
95.04970	11.2
95.08616	8.1
97.02892	1.3
97.06552	1.6
97.10180	5.0
101.00878	1.6
104.53383	0.7
105.07050	6.6
107.04968	6.8
107.08616	7.5
109.02853	1.0
109.06517	8.3
109.10173	5.8
111.04422	2.1
111.08089	1.7
117.07031	3.1
119.01905	1.4
119.04929	1.9
119.08596	4.2
121.06518	4.3
121.10123	5.0
123.04414	2.3
123.08058	2.0
123.11721	3.1
125.09673	3.8
129.07008	2.2
131.04959	1.2
131.08562	5.1
133.10162	4.4
135.08052	3.5
135.11711	3.1
137.02437	0.9
137.05957	1.7
137.09598	0.9
143.01913	1.4
143.08569	1.3
145.06476	2.4
145.10127	3.1
147.04396	3.4
147.08038	1.6
147.11655	2.4
149.09624	1.3
149.13194	1.1
153.08978	1.1
157.10147	1.6
159.08092	1.1
159.11667	2.0
161.02975	1.7
161.05983	1.2
162.25464	0.8
163.11148	4.0
165.17749	0.9
167.07071	1.8
167.10698	2.1
173.09671	1.2
173.11749	1.3
175.11182	1.1
185.13220	0.8
187.00882	1.0
189.11253	1.6
191.14276	1.2
193.12256	2.6
199.13281	3.0
203.05360	1.6
209.11699	2.9
211.13290	1.3
219.13745	4.8
223.13304	1.9
225.11148	0.9
227.05153	1.1
227.12775	4.2
233.15424	1.2
243.04726	2.0
245.06361	7.1
265.14249	1.2
266.06760	0.7
271.06348	0.9
273.17020	2.3
283.15543	1.3
287.03732	18.6
289.05310	100.0
290.05774	1.3
293.17465	3.3
299.05606	2.9
313.07034	1.2
331.15927	0.9
349.21634	1.3
367.22714	7.3
368.13174	0.9
373.02481	0.9
385.23868	5.8
403.24802	1.9
409.04916	0.9
409.20123	0.9
414.29349	0.8
441.26492	1.7
459.27206	4.6
465.24649	12.5
477.28311	1.9
491.22144	4.5
491.29596	2.5
509.23511	71.0
510.24136	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.4
55.01868	17.8
55.05517	57.9
56.96552	12.0
57.03436	25.8
60.70897	4.9
63.26939	4.7
67.05508	78.4
69.07072	21.9
71.04994	17.9
78.29291	4.5
79.05497	94.7
81.03405	16.2
81.07059	90.5
83.04987	17.8
83.08616	23.0
83.79689	4.9
85.02920	8.0
85.06544	13.6
85.36468	5.3
87.54177	4.8
91.05052	5.2
91.05494	53.4
93.07043	76.6
95.04974	100.0
95.08609	46.5
97.06528	19.3
97.10180	33.8
99.04446	5.8
99.08141	6.5
105.07037	38.2
107.04966	71.1
107.08607	47.5
109.02871	5.1
109.06520	86.8
109.10181	25.8
111.08081	8.7
117.07030	22.5
119.08586	26.2
119.09391	5.2
121.06528	43.8
121.10147	54.4
123.08070	14.2
123.11696	10.6
125.06049	6.1
125.09623	35.7
129.07028	14.1
131.08577	42.0
133.10150	16.5
135.08102	28.6
135.11676	14.1
136.17175	5.3
139.11185	8.5
143.08563	15.8
145.06519	15.1
145.10135	17.2
147.08084	18.9
149.09650	11.3
153.09128	6.9
155.08577	7.6
157.06458	5.2
157.10176	10.6
159.08025	10.8
159.11684	9.5
161.05943	6.2
163.11221	22.2
167.10704	19.0
170.71056	5.2
171.08086	5.5
171.11655	6.3
173.09647	6.2
173.13258	10.9
177.12762	5.1
187.33522	5.2
189.11220	16.1
191.14333	19.9
193.12265	10.5
199.13293	38.4
201.12695	6.7
205.12263	10.9
219.13831	52.0
223.13322	24.8
227.12769	21.8
233.15298	13.2
237.12750	7.9
237.14854	13.5
239.09552	6.2
259.12256	7.5
273.14581	9.2
273.17224	25.1
275.16583	8.7
281.07132	5.0
281.10733	17.3
285.10086	9.8
293.17505	42.0
299.11786	33.6
339.23285	7.0
349.21420	28.6
367.22684	57.3
385.23721	44.8
403.24594	9.8
417.26251	7.0
435.27444	9.2
441.26389	11.6
459.27426	49.6
477.28360	27.9
491.30301	40.0
509.23715	38.7
509.30927	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	509.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.01873	4.6
55.05497	0.7
57.07055	1.0
57.63035	0.6
62.30520	0.5
62.81661	0.5
65.03928	0.7
67.05522	3.7
68.99805	0.6
69.03420	1.7
69.07078	3.7
69.27531	5.6
71.05004	3.7
79.05487	1.6
81.03426	0.9
81.07050	2.6
83.01341	8.7
83.04968	0.7
83.78663	0.5
85.06525	1.6
91.05482	2.1
93.07047	2.2
95.04961	3.3
95.08596	1.7
97.06007	0.6
97.06526	3.7
103.05424	0.9
105.07011	3.7
107.04950	2.0
109.02863	1.5
109.06511	1.7
109.10102	0.6
113.06011	14.2
114.34045	0.6
117.07023	1.2
121.06520	0.6
123.00809	1.0
123.04425	1.7
123.08101	0.7
125.05992	0.8
129.06981	0.7
131.04932	1.0
133.06499	17.6
135.08078	1.1
137.02299	0.9
137.05994	1.7
141.01778	0.7
145.06494	1.0
147.04405	4.3
147.08012	1.3
149.05994	1.0
151.00296	1.3
151.07555	68.6
155.07095	0.8
157.06352	0.6
159.04451	2.1
161.05972	5.4
163.07536	1.1
165.01895	0.8
169.01324	9.3
173.05984	1.1
177.01820	3.5
177.05386	1.4
179.07094	0.8
181.01315	6.4
183.02910	1.3
189.01756	0.8
189.05563	0.8
189.12773	1.8
191.07079	1.1
195.02916	3.2
199.02338	4.1
201.05434	1.7
203.06905	0.7
205.04945	8.2
207.02971	1.0
207.06493	3.5
211.11304	0.8
215.10652	2.4
217.12209	1.6
219.06474	1.6
223.05984	2.2
229.04982	18.9
229.12093	0.7
231.06505	2.1
233.08070	5.1
235.06018	3.0
237.07556	5.0
247.06042	37.8
251.09151	1.8
253.07054	1.7
261.11188	0.9
265.07095	43.2
283.08191	6.8
285.11200	9.0
303.12277	10.8
321.13339	100.0
322.13589	2.1
339.14246	1.1
393.17291	0.7
427.77969	0.7
435.17859	3.3
453.19061	2.4
467.24564	1.0
491.24103	0.7
509.25208	6.1
509.35892	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19080	2.5
55.01865	5.0
55.05526	3.7
57.03431	2.9
63.70924	2.3
67.01876	4.4
67.05506	9.8
68.99791	11.4
69.03401	2.9
69.07088	14.8
69.25192	4.7
69.25596	24.5
78.06075	2.8
79.01876	5.4
79.05492	5.0
81.07053	12.0
83.01347	38.5
83.08642	2.5
91.05471	4.1
93.07072	5.8
95.08623	5.3
105.07030	8.0
107.04975	4.4
107.08636	4.0
109.06522	2.8
109.10164	3.9
119.08606	6.3
121.06483	4.6
121.10123	4.5
123.11671	5.5
125.02327	3.7
129.07086	3.6
131.04950	8.6
133.06509	18.0
133.10069	2.9
135.00847	3.5
137.06068	3.4
147.04361	4.1
147.11734	4.2
151.07478	7.0
153.01857	7.7
157.10115	3.9
158.52910	3.3
159.04358	6.9
161.05983	6.2
165.72902	2.5
169.01292	5.4
177.05495	5.9
179.03293	2.9
179.08478	3.8
181.01335	100.0
183.02896	10.7
189.05461	3.2
189.12810	20.6
193.01328	5.3
195.02992	3.9
198.01501	3.3
199.02417	99.4
207.02925	8.0
207.06467	3.1
207.11768	3.9
209.04433	10.4
215.10683	14.2
235.06065	66.2
237.07587	10.1
253.07007	7.7
274.03586	3.4
303.12323	6.8
315.08862	2.9
321.13327	11.9
337.27264	6.1
369.13358	76.9
399.90961	3.7
423.18091	14.8
425.19586	15.9
509.35858	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	509.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09054	2.0
53.03952	2.8
55.01861	6.8
55.05505	3.9
59.04993	3.8
67.05522	10.6
68.99790	4.3
69.07079	21.1
70.71635	6.5
71.04998	15.0
74.81343	2.2
79.05486	7.8
81.07066	39.3
85.06557	3.2
91.05504	11.2
93.07062	16.8
95.04972	3.8
95.08594	13.5
97.06544	6.6
103.05457	7.9
105.07021	8.6
105.46736	2.1
107.04958	4.2
107.08577	4.9
109.02876	3.0
109.06485	4.3
109.10119	2.3
113.06011	41.1
114.90211	2.3
117.07027	8.0
119.04967	3.1
119.08572	11.1
121.06514	18.5
121.10085	2.5
123.08105	4.2
129.07030	4.7
131.04945	13.6
131.08583	6.4
132.12744	2.2
133.06508	9.3
133.10112	5.5
134.53935	2.2
135.04390	3.8
135.08035	7.0
137.06032	2.2
137.71832	2.7
139.00287	2.4
139.07570	9.1
143.08542	2.5
145.06473	7.8
147.04431	6.8
147.08058	9.4
147.11673	3.7
149.02304	3.9
149.06006	19.5
149.09612	8.6
151.07559	17.6
151.08601	3.4
153.01843	3.3
156.09334	4.0
157.06509	12.6
159.04425	21.5
159.08057	4.6
161.05965	2.7
163.07591	3.5
165.01837	2.8
165.09137	9.2
167.07094	2.3
169.01343	4.1
171.11755	5.9
173.05981	9.9
175.03845	2.4
175.11295	2.7
177.05484	13.4
177.09119	41.0
179.08527	4.9
187.11067	2.3
189.05479	4.0
189.12753	60.3
191.07063	20.0
193.01280	3.7
195.02760	2.7
195.06581	4.3
197.09605	4.1
199.11270	3.8
205.08708	2.6
207.13815	53.0
215.07083	10.2
215.10670	28.7
217.04967	9.8
217.12300	12.6
227.03369	2.5
231.06383	3.8
233.08051	21.0
235.06067	24.0
235.13281	7.3
245.08133	4.3
247.05963	2.5
249.07637	3.3
251.09280	3.6
253.07123	10.1
257.11700	4.7
263.09146	3.1
265.07108	4.4
285.11261	28.5
303.12314	68.1
303.15811	3.8
321.13348	100.0
332.15576	3.0
339.14456	75.4
403.18933	5.5
405.16946	8.0
473.23279	19.8
491.24347	8.0
509.25174	27.4
510.74991	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	509.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25311	2.2
55.01863	10.1
55.05526	5.4
57.03422	2.3
57.07071	6.1
58.20542	2.6
67.05513	14.1
69.03416	2.7
69.07053	9.7
71.04985	7.7
71.08636	3.7
71.54893	2.3
79.05478	7.3
81.03382	3.1
81.07039	12.8
83.01346	4.9
89.06022	2.9
91.05479	10.5
93.07052	5.7
95.04971	7.5
95.08604	10.6
97.06512	8.4
97.10143	2.4
97.70317	2.1
99.04401	3.9
99.08124	2.1
105.07040	11.6
107.04953	6.2
107.08592	5.6
109.02862	4.1
109.06533	3.0
109.10139	5.1
111.08097	2.7
113.06029	8.2
115.05491	2.3
116.03100	2.2
117.06972	4.0
119.08601	3.6
121.06526	2.1
123.04435	5.1
131.04912	5.0
131.08548	2.9
133.06522	26.2
133.10152	4.8
135.08025	7.2
137.05939	4.3
143.08633	3.0
145.06474	3.4
147.04379	5.2
151.00296	3.0
151.07538	36.6
157.10155	2.8
159.04448	5.8
161.06096	3.2
165.01877	3.7
169.01338	15.4
169.10065	4.4
173.05992	4.0
177.01845	8.0
177.05550	5.3
179.06975	2.8
181.01291	7.3
181.10068	2.3
183.11636	3.9
185.13312	2.4
189.01814	4.5
189.12776	5.7
193.04997	2.5
195.02861	13.1
197.13292	2.9
199.02347	4.5
199.11209	2.5
205.04964	6.1
207.02856	3.5
207.06541	4.8
213.03914	3.9
215.10674	10.6
217.12270	5.7
219.06480	4.0
229.04956	18.8
231.06548	10.9
233.08116	17.4
235.06044	9.4
237.07565	7.0
247.06041	43.4
249.07632	5.9
251.09169	8.2
253.07108	7.6
265.07068	38.5
283.08185	18.4
285.11154	18.8
303.12299	45.2
313.27304	3.1
321.13345	100.0
321.17203	5.2
419.18164	3.7
435.18024	4.0
453.18942	5.2
491.24005	7.4
509.25174	5.5
509.36551	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	509.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.4
55.01862	6.1
66.40299	2.1
67.05496	11.3
68.99794	3.7
69.06780	2.4
69.07075	23.3
71.05001	17.9
71.55429	4.0
79.05483	7.3
81.03398	2.9
81.07067	39.4
85.06538	2.8
91.05466	11.6
93.07050	16.2
95.04957	5.0
95.08598	15.3
97.06521	8.3
103.05425	5.3
105.07027	11.1
107.04950	5.9
107.08591	3.3
109.06503	6.5
111.08057	2.5
113.05235	3.0
113.06013	45.5
115.05430	2.9
117.07027	6.9
119.04938	3.0
119.08573	11.8
121.06499	15.8
123.08071	4.0
129.06982	5.1
131.04919	16.5
131.08611	5.9
133.06491	8.2
133.10115	6.1
135.04410	2.7
135.08069	4.1
139.07512	7.3
145.06534	11.5
147.04391	5.2
147.08046	7.8
147.11671	4.9
149.02312	5.7
149.05983	19.3
149.09608	6.3
151.07538	21.4
153.01797	3.4
156.09361	4.2
157.06505	6.7
159.04424	23.2
159.08098	5.1
161.05986	3.3
163.07570	4.2
165.01871	2.6
165.05542	2.3
165.09053	4.4
167.03430	2.9
169.01334	2.8
171.11696	4.8
173.05981	8.4
175.03897	4.6
175.11177	3.4
177.01828	2.2
177.05516	15.5
177.09106	47.0
179.03572	2.2
179.08519	2.7
181.01213	2.4
187.07591	3.6
189.05510	5.5
189.11087	3.5
189.12744	55.6
191.07051	28.1
195.06529	2.7
195.33228	2.4
197.09645	8.1
199.11165	4.6
205.08525	4.0
207.06497	5.2
207.13806	58.0
215.07161	12.1
215.10696	28.8
217.05011	18.1
217.12259	12.8
231.06567	2.9
233.08101	16.1
235.06009	27.3
235.13268	5.9
245.08035	2.5
247.06052	2.9
251.09186	3.1
253.07040	12.8
257.11743	6.9
263.09122	5.4
265.06912	4.3
285.11243	33.0
303.09052	4.1
303.12289	65.5
321.13330	100.0
332.15637	2.3
339.14417	86.7
403.19070	7.9
405.16922	9.9
473.23395	18.5
491.24268	11.8
509.25232	37.2
509.31790	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	509.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01872	1.3
55.05297	0.5
55.05522	4.6
57.03433	1.4
61.25122	0.4
67.05512	6.8
69.03434	1.2
69.07072	2.9
71.04981	1.5
71.13573	0.9
79.05492	7.3
81.03409	3.7
81.07059	8.3
83.04965	1.5
83.08617	2.6
85.02895	1.7
85.06541	0.8
91.05493	6.2
93.07044	7.1
95.04977	6.1
95.08604	5.0
95.27499	0.5
95.61752	0.6
97.02902	1.2
97.06538	1.4
97.10155	2.5
105.07027	4.6
107.04967	3.6
107.08588	3.6
109.06522	3.9
109.10154	4.0
111.04417	0.9
111.08063	0.9
111.11711	0.6
117.07011	1.4
119.01928	1.2
119.08600	3.2
121.06519	1.6
121.10140	3.4
123.04496	0.7
123.08040	0.8
123.11717	1.6
125.09632	1.6
129.07008	1.2
130.06801	0.5
131.08556	2.1
132.05725	0.5
133.06485	0.6
133.10120	2.1
135.08063	1.4
135.11665	2.0
137.05998	0.7
137.13231	0.7
143.08592	0.7
145.06462	0.8
145.10129	1.6
147.08060	0.9
147.11688	1.7
149.09624	1.7
151.11101	1.0
153.12756	1.0
157.10161	1.4
161.09618	0.7
163.11180	2.3
167.03174	0.7
167.07051	1.2
167.10713	0.6
173.13271	0.7
175.11159	1.2
181.12292	0.6
187.00919	0.5
189.11240	0.6
193.12263	1.4
199.11324	0.5
199.13351	1.1
200.04688	1.2
209.11786	1.8
211.13321	1.4
215.07121	1.0
219.13849	2.0
227.05313	1.5
227.12767	1.6
229.01579	0.5
230.85304	0.5
233.15373	0.7
243.06453	0.7
245.06305	1.2
271.04263	2.3
271.06525	1.1
273.16971	0.9
289.05319	6.9
293.17416	1.6
299.05405	2.9
338.86243	0.6
349.21802	0.8
367.22867	2.4
368.13000	1.0
385.23596	1.5
403.25372	0.7
405.10117	0.6
423.23486	3.3
447.23508	1.7
459.10703	1.6
459.27402	2.1
465.24585	7.4
477.28665	1.1
479.13098	0.6
491.22552	2.8
491.30011	0.8
509.23538	100.0
510.24039	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03304	0.3
58.66878	0.3
66.76938	0.3
69.52122	2.4
74.49348	0.3
80.12840	0.3
101.00887	1.1
119.01933	3.8
127.47019	0.4
137.02982	0.6
158.99843	1.0
165.99590	0.4
177.00961	8.8
178.01096	0.4
182.13313	0.5
182.99956	0.8
192.98863	0.5
193.04164	0.4
201.00935	2.1
216.98878	0.9
217.04144	3.0
218.98773	0.6
219.02034	24.0
220.02190	1.0
225.00844	2.6
234.99951	1.9
236.00119	1.3
236.99777	1.3
240.98962	0.7
241.99007	0.4
243.02040	11.9
245.01770	0.4
253.78471	0.3
259.00043	5.5
260.00137	3.1
261.03088	100.0
262.03204	4.8
263.03058	1.7
264.99023	0.6
265.99020	0.3
276.98071	0.5
277.01010	3.6
278.01147	2.4
279.00961	1.8
283.00006	12.3
284.00137	8.9
284.04733	1.7
284.99808	5.9
286.00052	1.2
301.01086	12.8
302.01187	9.5
303.00894	6.5
304.01169	0.7
304.64627	0.4
305.00330	0.6
316.95874	0.5
316.99139	0.5
318.98831	0.8
358.96973	0.7
360.99921	2.2
367.02255	3.6
371.48596	0.6
380.98892	0.5
383.00247	0.7
384.00037	0.5
385.03320	24.5
386.03354	1.2
392.99466	0.4
397.95245	0.5
401.01529	2.0
402.01242	1.6
403.00107	3.8
403.05038	16.6
404.04651	1.1
406.99536	0.5
408.04630	1.4
425.01120	2.4
426.01288	4.5
427.00824	1.2
436.48441	0.5
437.01099	0.4
440.96243	0.6
443.02386	4.7
444.02435	9.1
445.02002	2.5
446.01849	0.6
446.50244	1.1
447.00040	1.5
455.50687	0.5
456.00748	0.6
467.03366	0.9
475.99686	0.6
487.99762	0.8
499.49780	1.0
499.99069	1.4
500.98245	0.5
508.50134	0.9
509.03738	8.6
517.50653	0.6
518.00061	0.5
527.01251	4.4
528.01233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.05518	16.5
57.03434	4.2
57.07080	44.4
59.77478	2.2
65.03933	2.5
67.05508	74.0
69.07072	29.4
69.78399	2.6
69.91377	2.5
71.05002	3.2
71.08633	37.1
71.55888	3.5
79.05499	35.5
81.03419	5.0
81.07061	88.0
83.08620	17.3
85.06545	4.9
85.10185	17.2
91.05478	19.0
93.07056	38.5
95.04952	3.4
95.08617	43.9
97.06528	7.0
97.10159	9.8
105.07027	10.0
107.08607	31.7
109.10167	21.0
111.08051	4.7
111.11700	4.1
114.29359	2.5
117.07018	8.4
119.08613	7.9
119.24046	2.2
121.10151	11.2
123.11707	10.2
125.13246	2.3
131.08571	10.5
133.10133	10.8
135.08159	2.3
135.11697	10.5
137.13261	3.6
145.10083	4.9
147.11641	4.5
149.13271	31.5
159.11703	9.0
177.12775	6.1
178.64151	2.2
195.13829	12.3
209.55382	2.4
213.14764	3.0
229.14557	4.5
239.23749	10.3
335.25806	4.7
375.51291	2.8
489.35602	3.0
507.40787	100.0
508.40781	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	507.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
55.01879	3.9
55.05521	23.3
57.03203	1.1
57.03443	9.2
57.07077	7.9
59.04997	2.1
65.03935	4.2
67.05511	100.0
67.99333	1.1
68.99791	1.8
69.03413	1.6
69.06725	1.8
69.07072	22.1
69.96152	5.7
70.22330	1.2
71.04994	2.6
71.08625	5.6
79.05059	2.0
79.05500	29.2
81.03446	7.5
81.07066	57.3
83.04995	1.8
83.08628	12.8
85.06530	5.1
85.10165	1.2
89.91638	1.6
91.05485	20.5
93.07051	30.4
95.04965	3.5
95.08613	44.0
97.02889	1.4
97.06557	3.9
97.10174	13.1
97.54028	1.2
99.08069	2.7
105.04532	1.7
105.07042	13.7
107.04953	6.8
107.08608	22.5
109.02885	15.7
109.06530	2.7
109.10165	54.2
111.08092	4.0
117.06994	6.8
119.04922	3.0
119.08592	15.3
121.02822	1.7
121.06504	4.1
121.10161	16.6
123.04420	2.0
123.08056	1.9
123.11720	7.9
125.09641	8.4
131.08603	9.8
133.06448	2.1
133.10136	12.6
135.04419	2.5
135.08052	1.9
135.11693	11.1
137.09634	3.5
137.13268	3.1
141.01785	2.4
143.08543	3.0
145.10126	10.2
147.04443	7.1
147.08133	1.5
147.11742	7.1
149.02382	1.7
149.09612	6.9
149.13249	7.8
153.01804	2.7
155.10663	3.5
159.04422	2.4
159.08104	1.6
159.11702	7.0
161.02347	1.8
161.13243	5.2
163.03947	1.4
163.14807	3.6
165.01851	51.0
171.11621	2.9
173.09590	2.0
173.11745	11.8
173.13284	6.2
175.14909	1.8
177.01848	33.6
179.03450	2.3
179.14557	1.6
183.02919	15.7
185.13278	2.4
187.14821	2.4
189.01750	1.6
189.11201	6.2
189.12708	2.1
191.03426	12.0
195.00337	2.9
195.02905	18.0
195.13829	2.6
199.14841	1.6
203.03400	29.8
203.05197	2.3
205.04845	3.0
207.06531	26.0
209.04457	13.9
215.10732	1.8
219.06544	30.1
221.04474	21.8
221.08093	2.2
227.10858	1.7
227.12779	8.3
229.14352	31.8
231.06482	6.2
233.08058	6.0
237.07553	10.2
243.21100	4.1
245.08130	24.3
249.07605	5.5
251.09151	18.4
257.19128	1.4
259.09613	3.9
261.22189	22.0
263.09171	17.6
275.12805	6.0
277.10678	10.5
281.09744	1.2
301.14261	4.2
303.23270	1.6
317.24805	3.4
319.15469	12.9
335.25781	20.2
379.29929	2.7
391.15274	4.4
397.30930	5.5
407.18549	18.5
415.32312	6.7
428.33908	1.5
433.20166	12.3
433.32974	5.1
447.21753	23.4
451.21191	12.5
463.24707	9.8
471.34723	3.7
489.26825	7.2
489.35791	23.5
507.27072	12.8
507.36792	15.4
520.19128	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37257	1.1
53.03943	3.4
53.08548	1.2
53.08826	1.2
53.79395	1.0
55.01863	4.0
55.05513	29.4
56.59171	1.1
57.03441	7.7
57.07080	12.5
58.30721	1.1
59.05001	2.5
65.03943	2.2
67.05511	100.0
68.99816	2.2
69.02506	1.3
69.03449	1.1
69.07075	19.1
69.22133	10.5
71.04989	3.4
71.08634	5.2
79.05062	2.5
79.05499	30.3
79.96478	1.1
81.03429	8.1
81.07065	63.9
82.03725	1.8
83.04978	3.3
83.08632	15.0
83.85802	1.2
85.06561	4.1
85.10181	3.4
86.37981	1.0
91.05489	19.3
93.06475	2.3
93.07050	39.8
95.04952	5.1
95.08612	45.1
96.08969	1.2
97.02927	1.3
97.06528	3.5
97.10181	14.0
105.07044	14.2
107.04960	2.7
107.08601	27.6
109.02898	7.3
109.06519	2.9
109.10167	55.4
111.08089	2.4
111.11743	1.4
115.05418	1.6
117.07051	7.3
119.08595	15.6
121.02945	1.6
121.06541	2.6
121.10152	18.0
123.08083	1.9
123.11076	1.0
123.11750	10.4
125.09641	7.6
129.07004	2.2
131.08585	12.3
133.10149	11.7
135.04434	2.6
135.11719	11.7
137.09654	3.5
137.13188	2.4
141.01900	2.0
143.08546	2.6
145.10149	9.3
147.04427	3.1
147.11697	9.2
148.12048	1.6
149.02386	1.7
149.09621	4.0
149.13225	10.4
153.01807	4.7
153.54515	1.1
155.10690	4.1
157.10138	3.1
159.04443	1.5
159.11702	8.6
161.13269	4.0
163.03822	1.6
163.14807	4.0
165.01863	45.0
165.03285	2.1
165.09084	1.5
167.03395	1.7
171.10159	1.4
171.11607	1.9
173.11736	12.9
173.13277	6.7
175.14786	2.5
177.01822	15.7
177.05464	2.0
179.03429	2.3
183.02890	19.7
183.11621	1.4
185.13289	1.8
187.14778	3.8
189.11275	6.2
189.12743	2.1
191.03407	13.1
194.12581	1.5
195.00314	3.1
195.02859	9.3
195.13722	1.1
201.12807	2.4
203.03415	7.2
205.04955	4.3
207.06534	24.9
209.04453	18.5
219.06548	14.7
221.04573	6.4
221.08105	1.5
227.10849	1.6
227.12753	7.8
229.14374	28.8
229.16550	1.8
231.06534	6.7
233.08124	5.2
237.07619	7.1
243.21065	3.8
245.08047	6.7
249.07585	3.3
251.09187	27.4
259.20456	2.4
261.22147	32.8
263.09134	5.3
263.23685	2.4
277.10782	2.7
279.23285	1.4
311.23495	1.3
317.24728	5.0
319.15491	3.2
333.24130	1.6
335.25797	21.2
365.14136	1.4
379.29965	2.1
392.06561	1.3
397.31122	4.9
407.18481	12.0
415.32104	7.7
433.20111	7.0
433.33078	4.9
447.21500	11.9
451.21317	12.3
463.25003	8.6
471.34564	4.1
489.26184	3.8
489.35837	33.3
507.27100	17.5
507.37134	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	507.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99944	1.7
53.03944	2.8
55.01878	5.2
55.05514	23.2
57.03438	12.3
57.07083	5.4
59.04998	2.2
65.03931	2.0
67.05510	100.0
69.07079	17.1
71.04987	4.8
71.08640	3.4
71.55602	2.7
79.05498	31.7
81.03419	10.0
81.06583	3.8
81.07061	70.0
83.04979	3.4
83.08624	14.0
85.06546	3.5
90.61708	1.7
91.05484	22.2
93.07049	36.3
95.04955	4.7
95.08620	46.7
97.06498	4.8
97.10168	17.5
99.08094	3.8
103.59483	2.1
105.04528	1.7
105.07044	16.7
107.04942	2.7
107.08599	29.7
109.02882	26.1
109.10161	59.2
111.08078	4.2
114.30036	1.7
117.07034	5.1
119.08599	19.5
121.06649	1.8
121.10149	17.7
123.08054	1.8
123.11708	8.3
125.09637	10.2
131.08582	11.5
133.06467	3.4
133.10133	14.9
135.04585	2.0
135.08026	2.6
135.11723	12.2
137.09607	3.4
137.13286	3.4
143.08551	4.5
145.10136	12.1
147.04398	1.9
147.11732	8.8
149.09631	3.6
149.13268	9.7
153.01825	2.9
155.10724	3.0
157.10161	4.2
159.11693	8.2
161.13275	7.7
163.14867	5.8
163.55524	1.7
165.01845	43.7
167.03471	2.4
169.10173	2.2
171.11674	2.1
173.11751	17.0
173.13297	6.7
175.14922	2.5
177.01849	40.9
177.05441	4.9
179.03424	2.9
183.02939	24.2
185.13295	2.5
187.14830	4.0
189.11217	8.2
189.12666	4.1
191.03418	5.0
195.00307	9.6
195.02893	33.8
203.03410	4.0
205.05025	2.6
207.06577	18.1
209.04436	13.3
219.06528	48.3
221.08202	2.8
227.12807	10.8
229.14336	32.9
231.06506	2.6
233.08096	2.1
237.07567	21.8
243.21133	3.2
245.08105	4.0
247.09799	2.4
249.07703	2.3
251.09172	15.2
259.20651	3.1
261.22162	22.2
263.09146	14.5
281.10214	2.8
282.82928	2.1
313.27771	2.0
317.24677	5.9
319.15298	4.1
333.24295	2.0
335.25806	23.6
365.13574	3.4
397.31036	5.5
407.18521	40.1
415.32236	8.8
433.19962	4.5
433.33075	4.9
447.21747	6.4
451.21237	44.6
452.21933	2.5
453.63181	1.9
463.24777	6.6
471.34662	5.7
489.25864	1.8
489.28580	2.9
489.35760	35.7
507.27029	7.5
507.36902	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	507.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
55.05518	23.1
57.03413	4.2
57.07058	5.8
59.04993	4.8
65.03933	3.5
67.05511	100.0
69.07075	19.0
71.05013	3.7
71.08614	3.6
71.55132	5.1
79.05506	26.7
81.03432	8.2
81.07066	61.9
83.05014	4.3
83.08643	19.8
91.05479	18.6
93.07054	34.0
95.04968	3.6
95.08610	45.2
95.09164	4.0
97.10204	16.7
105.07009	18.3
107.08604	30.7
109.10169	62.2
117.07011	7.5
119.08619	17.6
121.10154	16.1
123.11691	6.7
125.09624	14.6
129.07068	4.8
131.08572	11.8
133.10152	14.6
135.11688	11.2
144.63582	3.3
145.10153	9.1
147.11697	11.4
149.13258	9.5
159.11729	11.6
161.13290	6.6
163.14888	9.0
171.11688	4.1
173.11740	11.2
173.13239	5.6
187.14836	4.2
189.11227	7.5
196.06873	3.1
225.95483	3.4
227.12871	7.8
229.14377	32.2
243.21092	6.3
261.22226	25.7
335.25714	21.0
361.42780	3.4
397.30923	7.7
415.32043	9.5
433.33060	4.6
471.34796	3.5
489.35727	28.0
506.73740	3.1
507.36737	28.2
508.82184	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	507.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.4
55.01890	8.1
55.05515	31.0
56.96566	7.5
57.03420	5.7
57.07071	10.8
65.53828	5.5
67.05513	60.6
69.03428	16.8
69.07075	43.1
70.42399	12.0
70.42775	8.7
71.04994	13.6
79.05499	41.9
81.03427	29.3
81.07061	100.0
83.04998	10.5
83.08633	22.9
85.02893	21.5
85.06556	15.8
91.05483	61.9
93.07070	53.5
94.57696	6.2
95.04977	18.8
95.08621	72.0
97.02930	15.5
97.06503	9.6
97.10180	14.0
99.04467	9.0
99.07189	5.7
100.11244	7.5
105.07030	40.4
107.04981	11.3
107.08600	33.7
109.02940	8.1
109.06487	8.1
109.10172	37.9
111.04412	10.0
111.08051	7.5
111.11716	6.2
113.09678	6.0
117.06999	8.8
118.55905	5.7
119.04894	7.0
119.08600	29.5
121.06420	6.5
121.10141	30.9
123.04478	5.6
123.11704	22.7
125.09625	13.4
127.03951	9.1
129.07024	8.9
131.04884	5.8
131.08563	12.2
133.10138	31.2
135.04454	8.1
135.11740	28.2
137.05968	6.5
137.09613	8.6
145.10123	14.3
147.04323	7.2
147.11670	21.0
149.09642	11.4
149.13278	19.6
155.08485	6.4
157.10077	8.2
159.11728	8.5
161.13232	7.2
163.11229	12.4
163.14885	11.3
167.06985	6.6
168.13857	16.6
175.11147	8.3
177.16290	5.9
179.08591	7.1
182.02393	5.7
182.15508	8.3
196.13351	5.8
199.44377	6.0
209.11633	6.2
227.12828	17.0
245.31927	5.2
269.04523	14.1
273.25821	10.5
291.26825	15.6
294.79709	5.7
296.24731	5.3
299.49759	6.0
300.92801	6.5
309.27835	11.7
312.26196	6.5
383.22400	11.1
401.23334	6.4
475.27112	13.6
507.12817	7.6
507.22092	19.4
507.29596	23.8
507.39191	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	507.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.6
55.05511	20.9
56.99220	2.8
57.03445	3.7
57.07062	12.5
61.02922	2.7
63.57107	3.2
67.05511	21.1
69.03430	4.9
69.07072	66.6
69.41118	21.5
79.05502	13.9
81.07060	100.0
83.08616	16.8
85.02879	11.9
85.06557	22.9
91.05457	8.4
93.07040	26.9
95.08611	67.7
97.06536	5.0
97.10170	10.4
99.08120	15.3
103.07183	2.8
105.07027	8.8
107.08598	37.6
109.06502	3.0
109.10165	31.5
111.08083	11.8
111.11726	23.8
119.08566	6.5
121.10139	21.8
123.08115	3.2
123.11724	28.7
127.11210	4.8
133.10165	6.4
135.11717	19.9
137.05975	3.3
137.13242	21.7
139.11211	16.9
145.27425	2.6
147.11667	4.2
149.13252	30.6
153.12738	12.3
155.14299	4.7
161.13324	5.6
163.14832	9.1
167.14345	4.4
171.13773	5.4
177.16333	5.1
191.17982	4.8
203.17996	3.7
231.21042	2.6
273.25775	4.0
279.26855	7.2
291.26886	17.9
297.27768	9.7
309.27881	32.4
327.28885	4.5
345.29926	3.2
465.97034	3.6
466.57843	3.0
520.77191	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	14.6
56.96546	2.9
57.03442	4.2
57.07075	10.3
59.40575	1.9
60.02980	2.0
65.03928	4.2
65.16700	1.9
67.05173	3.2
67.05510	35.8
69.03424	6.4
69.06734	3.0
69.07076	37.3
71.04998	2.4
71.08632	1.9
71.55812	2.3
71.56207	2.3
72.47433	2.1
79.05495	26.2
81.03407	2.6
81.07064	100.0
81.56904	2.3
83.08634	15.1
85.02915	11.5
85.06549	52.3
86.09708	4.1
91.05502	15.3
93.07052	45.3
95.04962	3.3
95.08617	73.1
97.02901	2.7
97.06514	5.5
97.10168	8.8
98.97634	3.0
99.08106	15.8
103.05453	4.5
105.07047	14.8
107.04964	4.2
107.08604	35.6
109.02893	3.7
109.09457	3.8
109.10173	51.0
110.84956	1.9
111.08092	7.0
111.11749	8.8
113.09647	2.9
116.65486	2.0
117.06927	1.8
119.08593	11.2
119.24675	2.0
121.10159	32.0
123.11720	31.9
125.09651	5.8
127.03973	3.4
127.11192	3.6
131.04936	5.9
131.08592	3.6
133.10141	9.2
135.08084	2.6
135.11713	21.7
137.05981	8.2
137.09573	2.1
137.13248	10.0
139.11188	4.7
147.11713	8.1
149.13274	42.2
151.03957	2.1
151.14828	4.6
153.12791	4.1
155.14346	2.0
161.13249	5.3
163.07539	6.4
163.14859	13.9
171.13794	3.7
175.14844	3.7
177.09109	3.9
177.16411	9.5
189.16356	4.1
191.07060	3.9
191.17943	4.8
195.17406	4.2
203.17934	3.0
213.18513	3.9
217.19510	4.6
241.48869	2.2
273.25696	7.3
279.26935	9.3
291.26859	39.7
297.27805	10.2
309.27942	22.6
320.87463	2.2
327.28925	10.0
345.10080	4.0
345.29935	3.2
402.55554	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	507.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.01876	0.7
55.05266	0.4
55.05517	7.4
55.05772	0.3
57.03445	2.5
57.07071	1.1
67.05177	0.8
67.05508	7.8
69.07074	9.6
71.04983	1.0
79.05502	4.9
80.01060	0.5
81.03419	0.4
81.06593	0.7
81.07063	12.0
83.08628	5.0
85.06548	1.0
89.03915	5.7
91.05486	2.6
93.07053	3.2
95.08613	10.1
95.61521	0.4
96.09047	0.4
97.06528	1.6
97.10181	3.1
99.08092	0.6
105.07034	2.1
107.04950	1.5
107.08628	2.1
109.10159	3.7
111.08075	0.6
111.11715	1.3
117.03384	7.0
119.08607	1.9
121.10157	3.8
123.08055	0.5
123.11691	1.5
125.09583	0.5
127.07520	0.4
133.10173	2.3
135.04427	14.0
135.11693	2.9
137.09654	0.4
137.13293	0.7
139.11186	0.8
145.02870	10.5
147.11655	1.4
151.11180	0.6
151.14810	0.8
153.12784	0.6
158.91997	0.4
161.13306	1.3
163.03915	100.0
163.14771	0.4
164.04240	0.8
165.12816	0.7
175.14886	0.5
179.14435	0.4
181.04962	9.8
186.05440	0.5
193.16006	0.4
217.19583	2.9
225.98515	0.4
235.20515	2.9
237.07581	1.1
253.21614	1.3
260.73868	0.5
295.77502	0.4
309.24286	2.9
327.21313	0.8
327.25302	17.0
489.28641	0.8
507.29346	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	25.4
57.07081	39.2
67.05512	70.8
68.52614	5.1
68.99770	8.1
69.06736	6.7
69.07077	100.0
71.08615	19.2
79.05501	29.1
81.03413	17.1
81.07060	70.7
81.08481	5.6
83.04961	7.9
83.08608	23.7
85.10174	14.4
91.05513	34.2
93.07063	53.4
95.04958	8.2
95.08611	73.3
97.06519	10.7
97.10174	14.2
103.05450	10.3
105.07039	28.5
107.08595	55.9
109.06540	7.1
109.10160	28.4
119.08570	14.1
121.06498	23.0
121.10136	23.1
123.08064	55.2
123.11736	5.5
129.06996	14.0
131.04892	10.0
131.08536	23.5
133.06505	12.4
133.10126	19.0
135.08035	20.5
135.11713	10.8
143.08615	6.9
145.06512	13.3
145.10126	12.2
147.04462	10.4
147.08040	6.4
149.05974	15.3
149.13257	20.2
151.07593	26.4
157.06499	13.1
157.10124	6.7
159.04422	25.0
159.11670	6.9
161.13280	6.0
163.07516	9.4
163.14835	13.4
171.11755	6.2
173.05936	6.3
173.09714	6.7
173.11987	6.6
173.13257	37.7
175.07498	7.7
175.11107	6.5
177.05475	17.5
179.03336	7.6
181.01367	8.5
185.06021	6.0
185.13400	6.4
189.12744	21.0
191.07011	15.3
191.14352	22.4
194.05743	18.3
195.06555	12.7
195.11725	8.8
195.13728	5.6
198.01579	6.6
203.06976	16.9
207.06575	7.1
209.08022	10.3
215.10648	45.6
217.08577	15.9
219.06500	14.3
221.08098	12.6
223.11278	10.1
231.13838	8.4
235.05997	8.4
236.06795	41.8
237.07568	35.5
241.12212	27.0
245.08089	11.6
250.08368	13.9
251.09047	6.9
255.08667	6.0
258.88989	5.5
259.09222	7.2
259.13269	53.3
269.11871	32.0
277.14401	38.8
286.72012	5.7
287.12732	43.2
291.15869	18.9
301.14401	54.0
305.13989	28.3
319.15475	36.1
337.16388	30.4
358.03470	5.5
406.17877	30.5
407.18457	24.2
424.18805	20.3
447.25433	12.9
475.24597	9.4
489.26205	13.5
489.35989	6.5
507.27231	28.3
507.41061	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03974	1.9
54.68079	1.5
56.96569	2.9
60.04535	1.7
60.53306	1.3
67.05496	5.7
69.03430	5.4
69.07059	3.6
69.45036	2.4
69.45442	9.1
70.06585	5.0
73.02892	1.7
79.05482	4.4
81.03409	2.3
81.07063	5.1
82.06580	1.6
84.08140	2.2
85.02893	6.6
89.03916	1.8
91.05492	1.8
93.07028	2.4
94.02928	3.1
94.06540	9.5
94.68536	1.6
95.04974	3.6
97.02898	3.2
98.97580	5.8
108.08166	1.7
109.02860	2.0
110.06091	1.9
112.03973	9.3
112.07584	4.5
116.04975	4.7
118.06516	2.9
119.04958	2.2
122.06041	25.1
123.04445	2.3
124.07595	10.9
127.03938	2.1
138.05528	2.1
140.07076	76.3
141.07449	2.4
141.93364	1.9
144.04437	12.7
146.05994	18.3
148.07600	1.8
152.99780	1.7
162.05466	5.8
172.03946	67.3
174.05530	23.4
176.74098	1.5
178.08612	1.6
190.05017	14.9
192.06590	3.9
204.06578	100.0
205.07028	2.2
206.08141	46.7
222.07431	2.3
303.19983	1.8
313.11948	9.8
327.13568	2.3
331.12991	13.9
334.09125	2.2
336.10852	2.3
345.14481	41.4
363.15497	2.4
366.11792	9.6
447.18967	2.6
457.16306	3.0
475.17157	8.4
507.19708	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	507.2748
Annotation	Isoamoritin
Peak:m/z	Relative Intensity
51.35369	0.7
53.03942	1.2
55.01855	2.6
57.03408	1.2
65.92947	0.8
67.05492	2.3
68.99786	3.3
69.06736	0.9
69.07075	13.8
69.40608	4.6
79.01872	1.1
79.05491	2.2
81.03422	1.2
81.07042	2.1
91.05502	1.3
92.99748	0.7
93.07043	1.1
95.04971	2.1
95.08598	2.0
97.02895	2.0
97.06511	1.0
99.00786	0.9
105.07031	1.0
117.07014	1.3
119.04916	0.8
121.02865	1.8
121.06530	1.0
123.00814	1.2
123.04427	1.5
131.05006	1.0
131.08549	0.7
133.06564	0.8
134.73790	0.7
135.04407	2.8
137.02325	1.8
141.01859	2.6
145.06496	2.2
147.04449	1.0
147.08034	1.0
149.02335	0.8
153.01834	7.9
157.06551	1.8
159.04456	4.0
159.06621	0.6
159.08022	1.9
163.03938	1.8
165.01851	100.0
165.09166	0.9
166.02185	0.8
167.03450	1.8
171.02963	1.0
171.04411	1.2
175.11163	1.2
177.01852	1.3
177.05586	1.2
179.03416	2.3
183.02914	23.9
185.05988	1.1
185.09631	0.8
189.01808	4.4
191.03410	17.5
193.05063	1.1
195.00249	1.0
195.02933	2.4
197.06087	0.9
197.09692	1.1
201.12715	4.0
203.03418	1.1
205.04979	7.4
207.02966	2.3
207.06541	65.0
209.04462	13.7
215.10709	3.6
221.08235	1.1
223.06027	1.7
225.07524	1.6
227.10715	4.5
229.12119	1.0
231.06535	25.4
233.08119	8.1
249.07613	17.4
251.09177	32.1
255.10118	1.8
257.19046	1.7
267.06598	0.9
275.09052	0.7
277.11005	1.8
279.06686	1.7
283.16949	2.1
299.12759	1.4
309.11420	1.0
335.12808	1.4
339.12430	1.3
347.12662	1.0
351.12219	0.8
353.13916	2.0
365.13901	2.9
383.14880	1.1
389.17599	2.4
391.15411	1.9
407.18671	3.0
409.16138	1.6
409.20789	1.4
421.20328	1.1
433.20151	15.4
439.21417	2.3
447.21786	5.3
451.21176	10.8
463.24820	10.1
463.31210	1.0
489.26602	2.6
507.27420	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	506.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.8
55.05499	8.5
57.03427	4.8
57.07077	2.7
58.41757	2.7
65.36543	2.1
67.05181	4.7
67.05511	48.3
69.03420	4.9
69.07056	7.2
69.31252	9.1
69.31678	11.6
71.05013	3.1
79.05490	18.7
81.02482	2.4
81.03394	3.9
81.06584	3.7
81.07053	48.6
83.04966	2.8
83.08637	2.7
85.02913	12.7
85.06554	3.4
87.00843	2.9
91.04990	2.7
91.05453	14.6
93.07049	44.6
95.04964	5.0
95.08612	62.3
97.02894	2.3
97.06548	6.2
97.10155	2.2
98.97561	2.5
99.08074	5.7
104.04798	2.6
105.07042	28.2
107.04950	3.9
107.08598	31.4
109.02890	3.6
109.06498	4.8
109.10159	35.3
111.08062	4.9
113.06032	3.5
117.07032	3.7
119.08595	8.1
121.06458	3.2
121.10144	23.3
122.10390	2.5
123.08067	4.7
123.11660	6.1
127.03875	3.7
131.08591	21.8
133.10138	12.5
135.08083	14.0
135.11693	4.9
137.05939	2.9
145.05006	2.9
145.10120	17.1
147.11681	3.1
149.09608	11.1
153.09074	6.2
159.11711	5.9
161.05920	3.4
161.09555	11.7
161.13252	8.1
163.14856	24.0
167.10661	5.5
177.16438	4.5
187.14828	48.3
193.12225	6.4
205.15874	45.5
221.11781	2.7
223.16937	100.0
241.17990	55.3
474.16046	13.7
506.19495	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	507.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96299	2.5
56.96569	37.0
58.20253	1.3
70.07273	2.4
70.07665	4.1
76.25072	1.6
79.05534	2.0
81.07066	3.3
91.05489	3.2
91.10301	1.4
93.07069	1.4
95.08620	1.5
98.97591	21.8
111.02166	1.4
116.98639	8.3
119.04933	2.1
133.87187	1.3
134.99704	3.2
139.52133	1.7
147.04405	6.0
152.45232	1.3
163.00740	1.3
177.02173	1.9
191.00203	6.1
195.03244	7.1
203.00195	13.7
205.01625	1.8
209.01314	5.9
213.04391	7.4
221.01230	15.1
223.02809	5.4
225.00696	2.5
227.02234	2.1
239.02304	8.5
245.01257	1.7
245.03682	1.7
265.00354	2.0
269.04904	1.5
271.02960	1.8
273.04306	1.8
279.03354	2.7
281.04944	1.9
283.02734	7.6
285.04095	1.6
289.03973	2.2
295.02896	2.7
297.04459	3.9
299.05905	1.9
301.03842	10.1
303.05359	2.8
307.02884	5.9
309.04343	2.8
313.03940	4.6
315.05466	2.4
317.07071	1.5
325.03833	40.3
325.07678	2.3
326.04681	3.3
327.05402	7.9
327.09143	4.1
329.03281	2.1
330.04471	2.8
331.04984	5.1
340.02692	1.7
343.04907	85.2
345.06473	14.3
345.10199	3.3
348.05469	3.9
357.06549	1.8
361.05933	27.9
363.06140	1.6
366.06509	4.3
367.04913	100.0
385.05920	23.0
385.10370	2.4
405.13480	1.5
406.14822	1.5
408.07724	6.5
429.13782	11.1
429.24854	1.4
447.14822	87.7
465.15927	35.3
465.22107	2.8
470.16711	2.8
483.16946	3.3
488.17474	5.9
489.15961	4.2
507.16949	55.3
507.24277	3.1
508.17062	2.3
525.17712	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16626	0.5
56.96570	1.0
57.03443	0.6
61.02921	1.1
65.03935	0.7
69.03423	2.3
69.58158	3.6
81.03431	0.5
84.86219	0.5
85.02911	9.6
87.04430	0.6
91.03965	0.5
91.05483	5.6
97.02904	2.8
98.97614	1.4
109.02887	0.9
119.04955	18.4
123.04446	1.4
127.03909	2.0
130.06548	0.7
138.36458	0.5
145.04974	4.6
146.26894	0.6
147.04422	100.0
148.04788	1.1
159.09232	0.7
163.06049	0.8
165.05489	45.0
166.89603	0.6
180.08696	0.9
265.11301	0.8
309.09888	1.1
344.13516	1.1
385.11282	1.3
446.18085	1.1
506.19638	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.3
55.01868	3.6
55.05516	16.3
57.03444	1.7
57.07080	40.5
64.34737	1.2
67.05511	36.0
67.43227	1.0
67.74854	1.2
69.03438	2.4
69.07072	15.3
71.04993	2.3
71.08641	31.5
71.55413	1.2
79.05502	17.5
81.03426	90.3
81.07066	32.4
83.08626	33.6
85.10188	14.7
91.05487	18.4
93.07055	11.4
95.04983	23.0
95.08616	28.7
97.02923	2.6
97.06511	2.5
97.10168	10.5
105.07040	12.8
107.04977	4.3
107.08615	6.6
109.06542	2.2
109.10169	15.0
111.08081	7.3
111.11721	2.2
112.83833	1.1
115.05492	2.1
115.99697	1.1
117.07014	1.3
119.08598	13.2
121.06490	3.2
121.10169	6.1
123.08090	1.3
123.11729	6.5
125.09657	2.2
125.13300	1.4
128.06186	1.1
129.07024	11.5
131.08577	7.6
131.62659	1.0
133.06490	1.9
133.10153	5.4
135.11717	1.4
137.13237	2.5
139.40628	1.1
142.07785	2.6
143.08618	1.1
147.08109	3.9
147.11714	5.3
149.09634	3.6
149.13351	1.9
151.14757	1.3
151.89708	1.1
157.10136	9.1
159.11742	1.4
165.12813	1.9
170.34575	1.2
175.11221	9.9
189.11296	1.2
193.12260	51.5
205.12383	1.5
221.22757	1.6
239.23686	8.8
249.14957	7.4
275.75714	1.3
393.30618	1.3
505.38989	100.0
506.39615	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.4
55.01874	2.0
55.05516	15.0
57.03433	2.2
57.07080	45.9
65.03958	1.4
67.05511	35.5
69.03427	2.0
69.06731	1.2
69.07081	11.2
71.04991	2.2
71.08640	33.0
71.50896	0.9
76.06918	0.8
77.41035	0.8
79.05495	18.0
81.03425	97.9
81.07064	34.4
83.04988	3.9
83.08625	32.9
85.02878	1.5
85.06544	1.6
85.10188	19.0
91.05486	23.8
91.06014	1.6
93.07051	9.7
95.04370	1.3
95.04980	27.9
95.08615	31.9
97.02917	2.7
97.06539	1.7
97.10177	8.4
99.11701	1.1
105.07030	13.2
107.04963	6.0
107.08577	5.0
109.06554	3.5
109.10162	15.4
111.04420	1.5
111.08085	7.5
111.11735	1.5
115.05498	2.0
117.07053	1.5
119.04922	1.0
119.08588	13.5
121.06538	4.0
121.10144	5.9
123.04440	1.8
123.08080	2.4
123.11725	7.2
129.07013	10.2
131.08588	9.6
133.06493	3.6
133.10158	4.2
135.11702	1.5
137.09660	2.3
137.13292	2.4
142.07784	2.5
145.10201	1.6
147.08076	2.8
147.11714	7.3
149.09636	5.4
151.14902	1.0
153.01717	1.1
157.10109	9.0
165.12820	1.8
175.11197	10.8
193.12256	61.2
221.22893	1.3
229.42137	1.3
231.06682	1.0
231.13806	1.2
239.23723	9.3
249.14833	7.4
267.16144	0.9
277.21683	1.1
334.01239	0.8
505.38998	100.0
506.39371	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	27.3
56.96562	6.5
57.07067	11.0
57.28855	5.5
67.05503	32.8
69.03451	25.6
69.07069	80.5
69.79431	29.3
70.21737	5.2
71.04977	8.3
79.05495	33.1
81.03419	15.7
81.07063	100.0
82.70792	5.2
83.04971	9.9
83.08609	10.8
85.02929	26.3
85.06535	17.7
91.05482	26.1
93.07050	46.5
95.04990	25.8
95.08067	8.1
95.08619	84.9
97.02931	8.8
97.06527	12.1
97.10184	9.5
98.97545	10.0
99.08096	13.1
104.73737	6.2
105.03316	5.2
105.07035	35.3
107.08611	46.0
109.06543	8.2
109.10170	51.5
111.04462	5.8
111.08076	7.2
111.11719	11.9
116.98666	5.5
117.06985	6.9
119.04960	10.1
119.08583	25.5
121.10150	26.7
123.11712	23.4
125.05984	5.8
125.09669	8.5
125.56915	5.4
127.03912	10.1
127.11217	5.4
131.04913	8.0
133.06541	9.2
133.10132	20.1
135.08031	5.8
135.11684	26.9
137.05978	20.2
137.09604	8.5
137.13312	9.6
139.11174	14.6
145.10086	11.9
147.04393	5.6
147.11636	16.5
149.13277	12.7
151.07475	5.5
153.05463	7.1
153.12799	7.2
156.06888	5.7
158.99695	6.5
159.11720	11.4
161.06017	11.7
161.09576	6.4
161.13249	9.9
163.11101	7.0
163.14886	8.3
165.12810	6.6
167.07063	20.1
173.13277	7.8
175.14867	6.5
177.05598	6.8
181.04961	17.9
187.11157	7.8
187.14888	6.1
197.13260	7.2
208.07436	5.1
237.18469	10.7
279.08585	7.5
281.15112	20.5
289.25259	11.7
295.06149	6.1
295.26303	10.1
307.26419	36.3
311.22040	7.9
329.23254	15.8
505.18430	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	505.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
53.66184	1.1
55.01862	1.8
55.05514	13.1
57.03444	9.2
57.07069	3.9
59.04989	3.4
65.03928	3.0
65.78988	1.3
67.05510	100.0
68.05885	1.4
68.85255	1.2
69.07076	8.6
69.76693	7.0
71.05016	2.1
79.05507	24.2
81.03429	1.7
81.07065	34.2
83.04956	2.2
83.08630	10.1
85.06558	3.8
91.05491	35.4
93.07059	33.3
95.04981	3.3
95.08618	22.1
97.06540	2.7
97.10169	3.3
98.21464	1.6
99.08101	2.2
105.06394	2.4
105.07045	39.4
107.08612	17.1
109.06550	1.7
109.10166	69.9
111.08082	3.9
117.07038	10.8
119.08594	37.0
120.19100	1.3
121.02867	2.2
121.10153	12.5
125.09603	2.0
128.06163	1.9
129.07014	7.7
131.08580	13.3
133.10139	27.0
135.11684	12.1
137.09583	4.2
143.08569	6.4
145.10121	14.0
147.11710	27.0
149.02354	6.9
149.13268	6.2
152.45874	1.6
155.10631	3.7
157.10114	7.2
159.11734	10.6
161.13268	21.3
163.11142	2.0
163.14828	2.5
171.11722	10.8
173.11729	19.0
173.13269	8.1
175.14804	10.7
179.01997	2.5
179.03398	20.6
185.13258	6.2
187.14923	1.9
189.16455	1.4
197.04454	7.6
199.14809	3.7
215.17993	1.8
227.12770	6.4
229.14378	47.6
231.21072	4.1
241.19548	20.5
249.11253	12.8
257.18948	1.4
259.20587	51.1
261.22177	1.7
277.21738	1.7
290.78265	1.3
315.23141	3.4
333.24258	22.3
379.15353	2.0
394.17001	1.5
413.30319	2.5
431.31400	1.8
435.21622	2.5
471.87927	1.5
487.34119	8.8
488.35385	1.4
505.35257	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	505.1922
Annotation	Tinosinen
Peak:m/z	Relative Intensity
55.01851	6.8
57.03438	12.4
57.07078	33.4
61.02912	8.6
67.05506	26.8
69.03439	52.6
69.07068	7.4
70.06583	6.0
70.16714	12.9
70.17124	17.6
78.67594	5.6
79.05494	11.3
81.03406	15.7
81.07063	23.7
85.02915	60.1
85.06549	42.5
87.04468	25.9
91.05475	13.7
93.07063	6.2
94.50825	6.3
95.08627	10.9
97.02901	43.4
97.06508	6.3
107.08603	13.2
109.02890	9.3
109.06514	9.2
109.10162	10.8
115.03975	31.9
119.08595	10.2
121.02924	7.1
121.06562	7.0
121.10161	7.9
123.04474	13.4
123.08054	10.0
127.03902	7.3
127.07556	9.2
133.04971	27.3
135.04373	8.7
135.08122	10.1
137.06009	16.3
143.17421	6.3
145.04953	9.9
147.04420	40.2
149.13264	6.7
151.03915	14.3
152.25407	5.6
154.20911	5.7
161.05988	11.8
161.09665	6.2
163.03983	10.4
165.05493	8.8
165.09082	7.7
175.07550	9.7
189.05424	7.5
189.09117	22.7
193.04993	12.2
193.08585	19.7
199.07542	12.9
205.05003	9.8
205.08571	35.7
211.09647	82.2
213.05394	6.7
217.05029	11.9
217.08621	49.6
223.09665	33.8
229.08519	10.5
231.06540	9.1
235.09656	100.0
243.10199	12.2
247.06230	6.8
247.09532	9.2
253.10725	95.9
259.09714	21.3
271.06360	7.0
271.09747	28.4
277.10730	80.2
283.09515	10.1
286.80899	6.4
289.10748	42.2
301.10715	24.0
307.11786	37.1
319.11731	29.3
325.12878	12.3
331.11774	8.9
337.12787	26.8
343.13959	11.0
355.13809	25.1
505.22681	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	505.1965
Annotation	tetranaphthylene
Peak:m/z	Relative Intensity
56.96571	26.1
58.68735	1.8
69.03445	1.7
69.17502	1.6
69.79273	1.7
70.06603	3.2
71.55143	2.2
84.04538	2.7
85.02963	2.6
91.05502	1.9
96.42747	1.5
97.02906	1.9
98.97597	75.0
110.97604	6.8
112.99129	2.1
115.00746	4.4
116.07113	2.0
116.98647	26.9
119.05059	2.1
127.00723	2.2
128.98650	4.5
134.99733	5.8
135.06621	1.6
136.06226	3.0
137.06015	1.9
141.02251	21.6
143.00182	3.2
146.99736	2.0
147.04395	4.1
158.99675	18.0
159.03317	22.2
161.01315	3.7
165.05527	1.9
169.01764	3.7
170.99690	2.3
173.04974	2.4
177.00722	9.2
179.03900	2.7
181.05406	2.4
183.03409	2.5
184.04158	6.8
185.04903	3.3
197.04951	4.6
199.06595	2.9
201.04425	3.0
202.05220	7.3
203.05997	5.1
208.00644	1.7
209.05019	4.7
213.08102	7.6
219.01801	8.1
224.03864	3.1
225.08083	3.0
227.05983	9.6
231.09230	4.7
237.02864	10.9
239.09587	3.4
247.10132	11.5
249.08105	3.0
255.09131	4.0
265.11163	86.0
267.09177	4.1
283.12238	32.4
288.12790	3.1
301.13177	2.5
307.12189	61.6
307.15579	3.3
325.13269	23.6
427.16486	19.0
445.17529	72.6
463.18207	2.2
495.61310	2.0
505.19748	100.0
506.19962	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	505.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64898	1.0
55.05528	1.8
57.03430	5.1
67.05508	2.2
69.03431	14.2
69.42714	3.5
69.43144	4.9
70.06607	2.9
79.05502	2.1
81.03442	1.2
81.07056	9.3
83.08593	1.3
85.02917	10.3
87.04470	9.4
91.05475	6.5
93.07053	4.6
95.08624	16.0
95.09185	1.9
95.57997	0.9
97.02899	12.3
97.64568	1.0
98.97605	1.8
99.08117	3.7
105.07039	13.9
107.04959	1.7
107.08611	8.3
109.10184	1.8
113.09677	1.1
115.03943	12.3
119.08591	42.2
121.02928	1.9
121.10150	2.1
123.11682	2.0
127.03936	2.4
132.64238	1.2
133.04948	11.6
133.10144	50.6
135.11728	7.6
137.06088	1.4
147.04387	2.7
147.11687	4.0
173.13260	1.1
175.14836	100.0
176.15187	1.9
193.15887	13.7
193.46956	1.2
193.68268	1.0
211.16934	8.9
257.04721	1.3
283.06076	1.6
295.06058	1.6
307.06161	1.4
325.07053	1.5
325.10928	1.4
337.07245	1.3
342.54782	1.1
373.06866	1.8
375.08820	1.7
391.07999	3.7
403.08109	2.8
487.10526	2.7
505.11380	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	505.1347
Annotation	Germanaism A
Peak:m/z	Relative Intensity
56.96550	2.5
61.02907	1.3
67.05482	1.2
68.99799	1.6
69.03431	3.0
70.06589	3.0
71.55616	1.5
73.02940	1.3
79.01840	1.8
79.05489	1.5
81.03410	1.6
81.07069	2.1
85.02921	6.6
87.04433	1.6
97.02882	1.6
97.48855	1.1
98.97599	2.1
103.03942	2.2
107.04960	1.7
109.02838	1.1
119.04953	5.2
121.02892	16.2
127.03909	1.1
127.83384	0.9
137.02335	4.1
137.05998	3.3
145.02838	2.8
147.04491	1.8
151.03882	2.5
153.01854	1.2
158.73724	1.0
159.04483	1.0
163.03824	1.7
165.01860	12.1
167.03313	1.5
167.07060	4.6
171.02974	1.3
171.39813	1.0
183.02910	3.3
187.03870	1.9
189.01947	1.3
189.05435	1.6
191.03366	1.6
195.02870	1.2
211.07463	1.0
213.05467	2.5
215.02974	1.3
227.06949	1.5
228.07794	1.2
243.02975	1.7
243.06622	2.7
255.02760	1.1
255.06441	5.8
256.07239	7.0
257.08121	1.4
259.06128	1.0
267.06625	2.7
270.05179	1.4
271.06049	5.1
281.08069	1.9
283.06036	72.0
284.06815	29.0
285.07544	1.6
294.05145	1.3
295.06046	43.5
295.09433	2.3
297.07599	17.0
298.04877	1.5
307.06052	4.3
308.06723	3.0
309.07648	6.5
311.05472	3.6
313.07086	100.0
321.07693	1.8
323.05487	2.5
323.09161	6.8
325.07230	5.7
327.08456	1.7
333.07605	2.4
335.05481	2.1
335.09232	2.1
337.07104	19.3
343.08197	6.1
349.07056	2.1
351.08612	2.2
355.08139	1.3
361.07294	4.8
363.08783	1.1
367.08307	1.2
369.49390	1.1
373.07056	3.5
379.08145	14.2
380.52737	1.5
391.08188	2.0
397.09143	4.7
403.08188	3.5
409.08960	1.4
415.10333	1.3
444.97623	1.2
449.12299	1.1
459.11044	1.7
469.11362	22.0
487.12332	29.5
505.12970	49.8
505.19293	8.0
526.28937	1.1
529.29901	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
52.08356	0.4
53.03955	2.7
54.88763	0.4
55.01880	0.7
55.05518	15.0
57.03448	1.8
57.07080	2.5
59.04998	1.5
63.78123	0.3
65.03948	3.0
66.04733	0.4
66.92355	0.4
66.99752	0.4
67.05512	59.5
69.03455	0.9
69.07077	9.8
69.84254	1.9
71.05000	6.9
71.08643	0.5
73.06570	0.5
74.66187	0.4
79.05502	33.6
81.03424	1.4
81.07065	100.0
82.07401	0.5
83.04990	1.3
83.08624	6.7
85.06549	11.1
91.05489	20.4
93.07053	30.1
95.04986	3.1
95.08620	20.4
95.09245	0.7
97.06526	1.8
97.10167	2.4
99.08160	0.9
100.61304	0.4
103.96420	0.4
105.04513	1.1
105.06314	0.6
105.07040	13.5
107.08605	15.3
109.06552	1.7
109.10165	10.7
111.08105	0.9
117.07021	3.1
119.08588	9.1
121.06563	0.4
121.10152	13.0
123.08102	0.6
123.11720	12.2
125.09597	0.5
129.07025	1.2
131.08592	6.5
133.10144	14.0
135.08144	0.4
135.11711	7.7
139.11227	0.5
143.08633	0.8
145.10152	4.2
147.11685	4.1
149.09705	0.6
149.13258	3.4
151.11191	4.7
153.12810	0.8
155.08537	0.5
157.10141	0.9
159.11714	3.7
161.13268	2.5
163.14912	1.3
169.10197	0.5
169.12292	2.5
171.11749	0.8
173.13257	3.3
175.14903	1.3
185.13312	0.6
187.13306	8.8
187.14774	0.9
197.13359	0.7
199.14990	0.5
201.16457	0.5
208.15727	0.4
227.16429	0.5
240.92549	0.4
243.21091	1.3
259.20776	0.4
261.22205	2.5
285.22281	0.6
299.23886	0.4
317.24667	0.7
374.82584	0.4
393.31583	1.3
411.32529	1.7
416.42130	0.4
429.33917	0.7
485.36343	2.2
503.37421	64.2
504.37787	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
56.96579	0.7
57.03434	2.0
59.05030	0.3
61.02918	0.5
69.03438	1.6
69.95094	1.3
70.06586	0.6
70.98338	0.3
71.01352	0.7
72.08121	0.5
73.02909	1.2
78.03471	1.7
80.05019	3.5
84.04495	0.6
84.36150	0.3
85.02913	2.3
86.09707	0.9
87.04485	0.6
96.04482	1.0
97.02895	1.1
98.21429	0.4
98.97594	0.4
103.03938	0.7
106.02920	6.5
106.26454	0.3
110.07200	0.4
115.03928	1.2
118.02071	0.3
123.05557	100.0
124.03976	1.1
133.04971	1.8
136.06194	24.9
146.06064	0.5
147.04355	0.7
148.06140	0.4
148.07574	0.5
164.07120	0.4
166.08737	0.4
174.05521	0.7
177.06731	0.4
178.05069	0.4
178.07280	0.9
192.06537	0.7
194.08141	1.5
202.05009	1.7
212.09210	0.5
214.07161	0.6
219.07672	1.4
220.06062	2.6
232.08252	1.8
237.08749	1.1
255.09836	2.5
256.07758	0.3
311.12564	0.8
326.12488	1.1
337.10446	0.8
341.06409	0.4
352.10257	0.6
355.11496	4.9
369.12924	0.9
372.14221	4.5
390.83353	0.3
395.06793	0.9
427.09067	0.4
455.24924	0.3
487.15677	2.5
504.10464	0.5
509.92950	0.3
521.34467	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03005	1.8
50.15958	1.7
53.03943	5.9
55.01868	6.9
55.05512	4.5
57.03432	5.7
57.41204	2.0
61.02914	5.2
62.91585	1.7
67.05504	13.4
68.99765	2.1
69.03435	21.7
69.07057	8.4
70.55301	6.1
71.04998	2.9
73.02912	6.5
77.67795	1.9
79.05476	8.0
81.03424	14.3
81.07053	21.4
83.04982	4.4
83.08615	2.9
83.20056	1.8
85.02910	51.6
85.06514	2.2
87.00840	19.8
91.03938	3.5
91.05479	14.2
93.07053	18.6
95.04981	2.8
95.08611	35.4
97.02906	25.6
99.04444	9.9
105.01859	18.9
105.07038	26.9
107.08590	28.2
109.02897	23.1
109.10161	26.5
111.08067	2.5
115.03934	3.7
117.01846	2.0
117.06972	2.5
119.07773	3.4
119.08585	34.5
121.10163	15.5
123.08053	2.6
123.11720	8.8
127.03927	43.5
129.01840	3.5
131.04912	4.0
133.10143	23.7
135.11674	5.2
137.13358	1.9
145.04987	14.2
145.10110	2.1
147.11696	29.5
153.01826	12.6
159.02969	11.2
161.13237	13.8
163.14812	2.8
171.02870	3.2
175.14844	14.2
203.17972	100.0
204.18314	2.4
221.19014	67.7
231.05064	11.1
257.08142	16.0
325.12173	2.4
381.29297	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69008	0.5
53.03945	0.8
55.01873	0.7
56.67365	0.4
57.03447	0.6
61.02926	0.7
67.01875	3.3
67.05494	2.1
68.99802	1.7
69.03425	2.5
69.07060	1.6
71.05016	0.7
71.54767	0.6
79.05501	1.6
81.03429	3.1
81.07058	2.3
83.08615	0.6
85.02918	5.3
86.09743	0.6
87.00832	1.5
91.03970	0.5
91.05479	2.4
93.07095	2.5
95.08620	1.7
96.54848	0.6
97.02914	2.6
98.97594	1.0
99.04430	0.7
103.05490	6.7
105.01874	1.2
105.03412	0.6
105.07036	1.7
107.04968	0.8
107.08615	1.5
109.02865	2.5
109.10133	1.1
111.08108	0.7
119.08595	0.9
121.10135	0.9
123.04479	1.0
127.03931	3.9
129.01868	1.1
131.04939	17.0
133.10143	0.5
135.11737	1.1
137.05995	1.0
145.04951	0.9
145.10187	0.5
147.11723	0.6
148.12109	0.7
151.03915	1.5
153.01842	69.2
154.02252	0.6
159.02917	1.8
161.05986	1.0
167.95564	0.5
171.02902	19.2
173.06033	1.0
174.49634	0.6
179.03358	1.1
194.60034	0.5
195.02921	0.8
203.18060	0.8
215.07031	1.4
257.08109	100.0
258.08548	1.6
281.08191	0.9
299.09192	0.7
367.17838	0.6
374.65442	0.6
400.19232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
53.18291	0.9
55.01878	1.3
56.96574	5.1
57.03426	1.2
61.02930	2.9
66.31750	0.8
69.03436	7.5
70.06574	0.9
71.55235	1.1
73.02914	1.1
77.15525	0.8
79.05503	1.7
81.03429	2.7
81.07067	2.4
85.02910	15.2
87.04485	1.3
91.05483	4.3
94.04204	2.8
95.05002	1.7
97.02902	7.4
98.97592	6.0
99.04450	1.7
103.05486	3.8
104.61080	0.9
105.07037	4.0
107.04978	3.1
109.02869	2.2
109.06520	2.8
112.99165	2.9
115.05471	3.5
116.98627	1.4
119.04926	1.0
119.08569	3.0
121.06611	1.0
122.03667	6.4
123.04430	1.3
127.03939	2.9
128.06238	2.7
129.06989	2.1
131.00156	2.7
131.04921	5.0
132.05710	2.2
133.06496	3.0
137.05994	100.0
138.06255	0.9
143.00119	1.0
143.04900	1.3
145.04970	1.8
145.06544	1.3
146.03647	1.3
147.04414	2.5
147.08055	3.4
147.54871	0.9
149.01207	2.7
149.06038	1.5
151.07639	1.1
158.99677	1.5
159.08073	1.8
160.05188	2.0
161.05994	9.7
163.07558	7.7
164.74631	0.9
171.08008	2.0
175.07573	36.4
177.00728	1.6
177.05479	1.1
179.07028	1.0
184.05212	2.1
187.07558	6.8
189.09103	1.1
190.07843	1.8
191.08589	4.9
199.07555	16.8
201.05464	2.7
201.09209	1.1
202.07846	3.6
203.08565	6.5
207.34552	0.9
218.07254	1.4
219.08107	7.6
220.08832	2.2
227.47462	0.9
231.08141	8.6
232.08844	2.9
235.07394	1.2
235.11368	1.3
241.11145	3.0
247.07596	3.4
248.08415	4.3
251.10689	7.0
259.07761	4.6
259.12198	3.5
260.08365	1.8
261.08838	1.4
263.10812	4.9
267.09061	2.1
275.07388	1.1
276.07764	2.9
277.08572	2.1
279.10220	7.3
280.10938	1.2
285.10251	2.8
291.10132	11.2
292.10977	3.4
293.08197	1.6
295.13223	2.0
311.12756	17.1
323.12820	20.2
325.14368	1.8
349.10709	1.3
353.06519	1.5
407.26202	1.0
503.17758	19.7
503.32010	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	503.2471
Annotation	Gln Asn Leu Glu
Peak:m/z	Relative Intensity
53.12211	0.5
55.05519	0.7
56.96569	1.6
67.05514	1.6
69.03427	1.7
69.07073	0.9
70.68053	1.7
71.05043	0.6
71.29329	0.6
73.23601	0.7
79.05503	1.1
81.07072	2.7
81.45671	0.6
85.02906	1.5
91.05502	1.0
93.07059	1.7
95.08624	1.6
97.02885	1.1
98.97631	2.3
104.10243	0.7
105.07050	1.6
107.08611	1.3
109.10176	0.7
110.97656	0.9
119.05001	1.2
119.08584	1.3
121.06512	0.6
121.10161	0.9
123.04484	1.0
126.35614	0.7
127.03909	1.0
131.00218	1.1
131.04967	0.7
131.08627	0.8
133.06535	1.0
133.10176	1.7
137.06033	2.4
145.02946	1.4
145.10178	0.6
147.04434	2.6
149.01245	0.8
161.06044	1.2
167.05548	1.0
203.05382	1.8
239.18478	0.6
241.11093	1.2
259.07874	1.0
259.12299	0.9
285.10321	1.8
285.50677	0.8
299.06345	1.8
341.19534	1.9
459.22131	1.9
471.22305	1.3
503.18677	6.2
503.24878	100.0
503.31897	8.4
504.25323	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45185	1.0
53.03938	3.2
55.01862	2.8
57.03426	2.9
61.02914	3.9
69.03436	20.0
70.06579	2.3
71.05003	5.4
71.55648	1.3
72.08160	1.4
73.02914	2.1
73.04730	1.1
74.23206	1.0
81.03429	18.8
82.70289	0.9
84.04478	3.7
85.02914	19.0
86.09687	3.2
87.04443	1.6
95.04957	1.3
96.08150	1.1
97.02923	8.1
98.97567	4.4
99.04455	7.8
103.56852	1.0
104.01740	1.3
107.04991	1.9
109.02882	1.7
116.01721	1.2
116.98612	1.5
117.05530	1.7
119.04903	1.2
123.04446	1.0
124.07599	7.2
127.03957	5.2
132.22424	1.0
133.07600	3.4
135.09315	1.5
137.72487	1.1
139.03859	1.6
142.03178	1.6
145.02859	1.4
145.04991	2.4
147.04396	2.5
151.07474	1.1
158.02747	2.8
160.07535	1.2
161.07123	6.3
163.08713	6.2
167.05472	1.6
170.08113	1.1
176.03787	2.1
177.12761	1.2
179.08197	1.6
181.07356	1.4
189.06604	5.9
191.08200	5.1
193.06419	2.9
207.07666	100.0
208.08054	1.9
214.05295	4.3
237.02768	1.6
287.10437	1.4
299.06335	1.7
305.11276	2.9
316.13321	3.1
323.12399	38.3
341.13467	89.8
342.13684	1.9
414.07797	1.2
503.20798	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	503.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
53.18291	0.9
55.01878	1.3
56.96574	5.1
57.03426	1.2
61.02930	2.9
66.31750	0.8
69.03436	7.5
70.06574	0.9
71.55235	1.1
73.02914	1.1
77.15525	0.8
79.05503	1.7
81.03429	2.7
81.07067	2.4
85.02910	15.2
87.04485	1.3
91.05483	4.3
94.04204	2.8
95.05002	1.7
97.02902	7.4
98.97592	6.0
99.04450	1.7
103.05486	3.8
104.61080	0.9
105.07037	4.0
107.04978	3.1
109.02869	2.2
109.06520	2.8
112.99165	2.9
115.05471	3.5
116.98627	1.4
119.04926	1.0
119.08569	3.0
121.06611	1.0
122.03667	6.4
123.04430	1.3
127.03939	2.9
128.06238	2.7
129.06989	2.1
131.00156	2.7
131.04921	5.0
132.05710	2.2
133.06496	3.0
137.05994	100.0
138.06255	0.9
143.00119	1.0
143.04900	1.3
145.04970	1.8
145.06544	1.3
146.03647	1.3
147.04414	2.5
147.08055	3.4
147.54871	0.9
149.01207	2.7
149.06038	1.5
151.07639	1.1
158.99677	1.5
159.08073	1.8
160.05188	2.0
161.05994	9.7
163.07558	7.7
164.74631	0.9
171.08008	2.0
175.07573	36.4
177.00728	1.6
177.05479	1.1
179.07028	1.0
184.05212	2.1
187.07558	6.8
189.09103	1.1
190.07843	1.8
191.08589	4.9
199.07555	16.8
201.05464	2.7
201.09209	1.1
202.07846	3.6
203.08565	6.5
207.34552	0.9
218.07254	1.4
219.08107	7.6
220.08832	2.2
227.47462	0.9
231.08141	8.6
232.08844	2.9
235.07394	1.2
235.11368	1.3
241.11145	3.0
247.07596	3.4
248.08415	4.3
251.10689	7.0
259.07761	4.6
259.12198	3.5
260.08365	1.8
261.08838	1.4
263.10812	4.9
267.09061	2.1
275.07388	1.1
276.07764	2.9
277.08572	2.1
279.10220	7.3
280.10938	1.2
285.10251	2.8
291.10132	11.2
292.10977	3.4
293.08197	1.6
295.13223	2.0
311.12756	17.1
323.12820	20.2
325.14368	1.8
349.10709	1.3
353.06519	1.5
407.26202	1.0
503.17758	19.7
503.32010	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	3.3
55.05506	8.4
57.03448	16.3
57.07086	31.1
63.30001	2.8
66.92442	3.1
67.05511	93.4
69.07069	9.3
71.04989	4.8
71.08638	21.5
71.16062	7.3
74.51385	3.4
81.07064	24.2
83.08617	10.6
85.10179	9.7
91.05471	5.6
91.06411	3.8
95.08622	18.9
97.10164	6.4
107.08626	3.8
109.09475	4.7
109.10174	65.9
119.08575	6.4
120.94236	3.5
130.93260	3.0
155.10706	4.3
166.70309	3.6
173.11749	24.5
210.93532	3.1
213.81082	2.9
221.25085	3.2
229.14375	100.0
229.16589	6.5
257.56140	3.0
299.06146	3.8
308.78372	3.4
313.27405	97.0
339.09277	3.3
467.37317	53.9
489.42157	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	503.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.8
56.96552	1.9
70.06605	0.9
71.55444	1.1
72.04514	1.3
72.08147	1.6
72.63947	0.7
73.04769	1.2
74.00654	1.5
80.05019	1.1
82.74623	0.8
83.06101	0.9
84.04508	6.9
85.02906	0.9
86.09688	1.3
88.03992	1.2
90.05550	2.4
91.05478	2.8
92.01709	1.6
97.02884	0.7
98.97565	2.2
99.02682	2.6
99.05608	0.7
106.06510	1.0
107.04917	0.9
108.08183	0.9
110.01965	0.8
110.06071	0.9
111.02682	0.9
116.98601	0.8
117.05778	1.3
118.06557	1.5
119.04945	3.2
120.04414	0.9
123.02635	0.7
124.02221	3.5
124.07598	2.3
125.02958	2.4
126.03770	1.0
126.05518	2.6
127.05076	8.8
129.06593	0.8
130.04988	2.0
130.69815	0.7
134.06018	1.2
136.07596	1.7
137.05966	0.8
138.03749	1.6
138.05452	1.2
138.09120	1.3
140.05292	2.1
144.06635	3.6
145.06096	3.2
147.04428	9.1
150.03737	6.0
152.05284	1.4
152.07088	3.9
152.08125	0.7
156.06503	0.7
163.03918	0.7
164.05351	1.3
166.03453	1.2
166.05017	12.7
168.04811	4.5
178.03232	2.6
179.03474	1.0
181.07352	45.4
182.08144	14.7
182.09740	0.8
185.03813	2.2
191.04887	16.3
193.06462	1.0
194.06573	0.7
196.04297	6.2
207.07666	0.9
210.59309	0.6
214.05342	100.0
215.05588	1.7
216.07013	0.7
231.04366	6.0
240.06975	5.2
251.77611	0.8
257.09583	1.6
267.08044	1.9
268.06406	8.3
285.09103	4.1
299.06119	1.1
302.08057	1.4
323.10632	1.5
327.34146	0.7
341.13528	1.9
374.13800	16.8
414.13235	1.9
474.24277	0.9
485.16830	1.6
503.17157	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.4
60.69594	0.6
61.02936	0.9
67.05502	2.0
69.03429	1.7
69.07059	0.7
70.55320	0.9
70.55676	2.2
71.81184	0.7
79.05497	1.5
81.03406	1.1
81.07062	2.9
83.08631	0.6
85.02934	1.8
85.06547	1.0
91.03950	0.9
91.05509	2.1
93.07059	2.3
95.04979	1.0
95.08619	2.6
97.06525	1.2
97.10175	0.7
98.97618	1.0
105.07037	2.2
107.04953	1.0
107.08610	1.6
107.30754	0.7
109.10242	1.2
116.98642	0.7
119.08600	1.2
121.06553	0.8
121.10142	0.9
125.06004	0.7
125.24000	0.7
129.07042	0.9
131.08618	2.0
133.10168	1.3
135.08110	0.7
137.05995	0.9
139.03937	1.8
145.10217	0.7
147.04498	0.9
159.07986	0.7
161.06020	1.3
163.14961	0.9
178.72478	0.7
229.07745	0.8
267.09232	0.9
267.16168	0.7
308.54477	0.8
339.18045	1.1
375.15021	0.8
501.23245	100.0
501.29910	6.8
502.23682	2.4
518.74567	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	61.9
55.05777	2.1
57.03442	33.7
57.06831	4.5
57.07085	56.6
65.03958	3.9
65.69085	2.9
67.05511	71.8
69.07076	92.7
71.04993	3.4
71.08638	37.0
71.55324	4.4
73.06561	2.7
75.04472	12.2
79.05501	31.5
81.07064	100.0
83.04992	6.0
83.08629	66.0
85.06534	3.0
85.10184	24.4
91.05492	4.8
93.07054	42.4
95.08617	93.2
97.06535	20.4
97.10180	42.9
105.07030	4.4
107.08611	29.8
109.10166	51.1
111.08105	14.7
111.11731	14.2
113.05982	4.0
115.07581	4.5
119.08582	4.3
121.10159	37.1
123.11723	17.3
125.09634	11.8
125.13258	2.8
129.09114	5.2
131.07098	5.6
135.11710	34.4
137.13263	10.4
139.11191	11.3
143.10709	6.2
149.13266	16.4
151.14836	4.7
153.12752	9.7
157.12209	3.1
159.11774	2.7
163.14851	9.6
167.14330	7.9
177.16356	5.2
181.15926	5.4
191.18007	4.9
205.19598	4.0
208.08484	2.9
223.20609	3.7
227.20100	4.6
235.20515	2.9
237.22203	3.2
251.23615	3.8
289.28928	11.4
299.27304	4.6
307.29947	16.1
317.28345	14.1
335.29480	40.2
351.77893	2.9
353.30569	4.3
371.31613	92.3
409.33145	57.9
427.34290	76.9
483.36789	22.7
501.37949	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01873	4.4
57.03447	2.4
59.05006	1.4
61.02943	1.5
67.05521	1.8
69.03432	11.6
69.07073	2.1
69.44930	8.5
70.06599	3.0
71.01361	2.9
71.05006	2.0
73.02938	2.8
79.05489	2.5
81.03441	2.8
81.07061	4.1
83.04987	2.4
84.04508	5.2
85.02905	11.0
86.06075	1.3
86.09714	3.2
87.04465	3.1
91.05494	4.2
93.05796	2.4
93.07055	5.1
94.06576	2.3
95.04951	2.5
95.08633	2.4
97.02908	3.1
97.06551	2.0
98.21597	1.4
98.47372	1.2
98.97573	1.7
99.04459	1.2
105.07049	6.0
106.06570	5.0
107.04960	3.0
107.08630	5.6
109.02883	3.0
109.06518	2.3
109.10161	2.0
113.02377	1.7
117.05508	3.0
119.04938	4.3
119.08562	3.0
121.02863	6.9
121.06542	3.4
121.10172	2.3
121.75510	1.1
122.06017	1.8
123.11724	1.1
126.03715	5.6
126.05550	2.2
127.02126	1.4
127.03967	2.6
127.05043	4.5
128.05334	3.5
128.67442	1.1
130.05063	2.1
131.08618	2.1
133.10172	1.5
135.04375	1.2
136.07576	1.7
137.06027	3.4
138.02750	2.0
138.03751	21.2
139.07610	1.2
141.01784	2.4
144.06561	1.4
145.02911	2.9
145.04991	1.8
145.06081	1.7
145.10118	7.0
147.04448	2.9
147.11717	3.7
149.06006	1.2
151.03976	1.5
155.08409	1.4
156.04770	10.3
159.07745	1.5
159.11699	2.6
161.09581	1.4
163.03975	1.6
163.11238	4.7
164.05315	3.1
164.07034	1.2
166.06921	1.9
168.04839	2.9
173.09570	2.7
174.05490	1.7
175.14795	1.2
177.05467	2.9
179.03491	2.0
179.09479	1.5
180.10181	8.8
184.07405	4.3
185.03827	1.9
187.11232	2.3
189.01886	2.8
191.04839	9.6
194.06357	19.4
195.02866	6.0
200.03470	3.4
202.04965	2.9
203.03432	6.5
204.06564	3.3
205.12292	3.1
207.02896	3.2
207.06566	17.3
207.13780	2.4
210.09235	1.2
212.07416	100.0
215.03471	1.3
215.10675	3.4
217.05005	1.8
217.15895	2.5
218.04561	1.8
221.04567	1.4
226.08783	1.7
230.08179	2.2
231.04510	6.0
233.11830	2.4
234.07645	5.6
235.02365	3.1
235.16901	2.6
238.08919	8.8
246.14996	2.6
251.12880	2.4
253.18095	5.7
254.08148	5.4
255.02945	2.2
255.11641	3.9
258.07568	1.4
263.01880	3.1
265.09921	1.9
266.08463	7.1
273.03986	3.0
282.07745	3.4
283.11243	2.8
295.06055	34.2
296.06680	3.5
297.07687	1.9
300.08658	6.3
307.06091	8.0
309.07388	2.3
310.04852	1.3
314.10150	1.4
317.07974	1.4
321.07556	11.0
325.07138	10.7
325.10712	2.0
328.08203	5.9
335.05414	1.5
335.09222	2.8
338.04190	8.1
339.18024	1.5
342.09796	3.3
351.05029	46.4
352.05795	5.6
360.10812	18.4
363.05069	4.4
369.12018	1.8
372.15958	16.2
373.07092	1.2
377.06558	16.5
381.06073	86.1
382.06186	3.2
391.08328	9.7
401.06116	1.5
404.83759	1.3
405.06100	36.2
417.06152	4.0
429.06018	8.5
435.07178	11.0
447.07214	18.9
465.08005	7.0
469.15991	4.0
483.09995	1.5
483.18250	1.9
501.18127	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	501.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.8
64.15469	0.3
65.36189	0.3
69.03417	0.5
69.50764	1.0
69.51189	1.4
72.04513	0.5
74.00660	1.1
79.05485	0.4
83.08620	0.4
84.04513	4.1
84.08139	0.5
85.02868	0.4
86.06073	2.0
86.09708	0.4
87.04472	16.4
90.05556	1.5
92.01703	0.6
93.05785	2.2
94.06577	1.0
95.04961	0.4
98.20785	0.7
99.02684	1.3
105.07030	0.7
106.06559	0.4
107.06053	0.5
107.07349	1.0
113.01669	0.5
117.05515	0.4
117.57144	0.3
120.08107	0.9
121.42586	0.3
126.03757	11.1
126.05518	2.1
127.02129	1.0
127.04171	0.6
127.05048	4.5
130.05016	1.1
131.08534	0.4
132.08061	2.1
133.08881	2.7
134.09673	0.9
135.02658	0.9
137.06004	0.5
138.03754	1.4
141.06599	0.4
144.06551	0.8
145.06093	1.9
145.10133	1.1
150.09158	1.2
152.05275	3.0
159.11740	0.4
160.07594	1.8
161.08368	3.4
162.09134	0.9
163.11128	0.7
164.10725	0.6
166.06873	11.4
168.04788	1.6
176.05287	1.2
178.08673	0.7
179.09419	2.1
180.04813	1.4
180.10201	6.7
181.06194	0.6
182.11754	1.1
184.03357	0.4
184.07906	4.0
185.03801	1.5
187.11247	0.7
191.04865	8.8
191.10663	0.4
194.06364	15.0
198.05850	0.9
212.07414	100.0
213.07744	1.2
214.09019	0.8
215.10722	0.4
220.07895	1.1
231.04362	4.9
238.08949	3.5
248.07423	1.2
255.11623	4.3
265.10065	1.5
266.08472	7.0
283.11157	2.6
288.14798	0.5
302.08051	1.6
321.12711	1.0
337.10629	0.6
372.15891	13.3
394.14328	0.8
412.15350	0.5
449.47656	0.3
480.59561	0.6
483.19080	0.6
501.20074	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	12.4
68.96561	0.7
71.95264	1.2
84.96040	3.2
85.02899	2.1
85.63696	0.6
91.05479	2.1
98.97591	100.0
101.00894	1.0
110.97592	8.7
112.99150	2.1
116.98630	28.8
119.04963	2.7
124.99119	0.7
127.00730	1.3
127.03920	0.7
128.98599	6.7
131.00204	1.8
132.98093	1.2
134.99635	4.9
140.00179	0.8
140.32355	0.9
140.98610	1.2
143.00171	2.4
144.98137	1.2
145.01736	1.4
146.99663	2.9
147.03284	2.9
147.04433	8.4
152.98639	2.8
155.01942	1.1
158.99670	42.9
161.01224	1.8
163.02760	1.1
165.04344	1.1
170.99681	4.4
171.03293	4.9
173.02875	1.0
176.99153	1.3
177.00717	26.5
177.05516	1.0
189.00659	1.8
189.04349	10.2
195.01830	1.2
200.02385	1.0
201.00644	3.3
201.04272	0.6
207.05446	1.6
219.01784	20.6
231.05461	2.5
237.02838	25.3
237.05151	1.4
243.05562	0.9
249.06409	0.7
255.03903	1.5
279.03647	0.8
291.04160	0.6
291.07486	24.5
309.08560	52.4
310.09058	1.2
332.10211	1.6
337.07971	1.0
351.09534	4.8
353.07211	0.9
363.09552	1.2
365.07556	3.0
367.09070	2.4
377.07700	1.2
421.10297	1.0
455.10825	1.2
465.08969	1.7
483.10233	82.4
484.10718	2.0
501.11249	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	501.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.3
55.03646	0.6
59.04993	0.7
65.94459	0.5
66.31168	0.5
67.05515	0.5
69.03080	1.0
69.03432	11.9
69.36135	4.0
72.04488	0.7
74.00681	0.7
79.05468	0.9
80.05007	0.6
81.07065	1.4
83.06115	0.5
84.04517	4.2
85.02911	0.9
87.04466	1.5
90.05566	1.7
91.05488	0.8
93.05788	1.8
93.07050	1.6
94.06542	1.0
95.04928	0.6
96.04528	0.6
97.01082	0.6
97.06535	1.3
98.97581	0.6
99.02683	0.6
99.05583	0.6
105.05765	0.7
105.07011	1.8
106.06573	3.6
107.07354	0.7
109.06517	1.1
111.02666	0.6
112.02200	0.6
121.06548	0.6
122.06049	0.7
125.03010	0.6
125.06018	0.7
126.03753	5.8
126.05530	2.0
127.05045	5.1
128.05295	2.4
130.05002	1.7
132.08057	0.8
133.08867	0.6
134.09634	1.5
135.02780	0.5
137.05949	0.8
138.03738	22.5
138.56549	0.5
144.06555	1.6
145.06129	1.5
145.10129	2.0
147.11696	1.3
149.02899	0.6
156.04797	10.8
159.07680	0.7
159.11694	0.9
163.11281	0.6
164.05330	4.4
166.06877	1.4
168.04779	3.1
173.09529	0.8
179.09384	2.0
180.10176	8.1
181.06061	0.6
182.11736	1.0
185.03810	1.9
185.57983	0.5
187.11188	1.4
189.12531	0.5
191.04880	8.3
191.10672	0.7
192.04745	0.7
194.06360	19.7
194.08122	1.0
205.12318	0.7
212.07411	100.0
213.07704	1.6
214.09094	0.7
231.04349	5.8
233.11739	1.1
238.08966	7.4
251.12740	0.7
255.11574	3.2
265.10025	1.5
266.08469	9.5
269.09271	0.5
283.11111	3.1
302.08051	1.5
307.14774	0.6
321.12589	1.2
372.15894	14.2
412.15228	1.1
412.31113	0.6
483.18774	0.6
501.19855	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.2
56.96535	0.9
57.03424	1.7
63.21642	0.6
65.03936	1.3
67.05518	1.0
69.03423	1.9
70.33405	2.6
79.05509	1.4
81.03400	1.2
81.07042	1.2
84.04504	1.0
84.67517	0.6
85.02893	1.9
86.09709	1.4
87.04478	1.6
87.32535	0.7
90.05566	0.8
91.05461	1.5
93.03408	1.3
93.07044	1.9
97.02913	0.8
99.02673	0.8
105.07061	1.5
107.04964	1.9
107.08581	1.3
109.02860	1.8
109.06518	0.8
112.49661	0.7
114.60806	0.7
119.04961	4.2
119.08625	0.9
119.39029	0.8
121.02868	7.6
126.03751	2.0
127.02167	1.1
127.05052	1.2
133.71172	0.7
134.38188	0.9
138.03804	1.1
144.48178	0.8
145.02884	1.7
145.10107	1.3
147.04402	1.4
147.11766	1.0
147.29918	0.7
159.11696	0.9
161.02422	1.7
163.11266	1.0
166.06850	1.3
171.08183	0.7
175.03996	0.8
177.01837	3.6
179.03432	2.7
179.09485	0.7
184.07910	2.0
187.11224	1.7
189.01855	3.5
191.03383	0.9
191.04897	1.6
192.00444	0.9
194.06357	2.6
195.02895	5.1
199.03931	1.0
203.03444	7.9
207.02956	3.5
207.06616	1.5
212.07436	15.1
215.10712	1.2
217.01373	0.9
217.04953	2.6
220.00131	1.6
221.04480	1.2
223.51324	0.7
227.03491	1.0
231.02884	2.0
233.11694	1.3
234.01566	0.9
235.02371	4.0
252.02513	1.0
254.05879	0.9
255.02852	3.8
259.02414	1.4
263.01865	4.1
268.07376	2.0
273.04053	4.0
279.06622	2.4
283.11160	1.2
295.06042	39.4
296.06619	3.5
297.07574	3.6
307.06024	9.7
309.04184	1.1
309.07626	2.5
310.04828	1.7
311.02017	1.5
317.08267	1.8
319.06091	0.8
321.07663	13.0
325.07095	11.6
329.02914	1.0
333.07739	0.9
335.05524	1.6
335.09219	2.1
338.04230	11.2
349.07306	1.5
351.05045	55.7
352.05667	4.3
363.04874	6.1
365.06592	2.1
372.15863	3.0
373.07108	2.1
375.05206	0.8
376.05859	1.3
377.06653	18.8
381.06088	100.0
382.06293	2.6
389.06714	1.3
391.08218	9.4
399.09183	1.3
401.06607	1.0
405.06107	40.6
406.06815	1.1
417.06085	3.1
419.07892	1.9
429.06039	9.7
435.07205	11.2
447.07159	20.3
448.07584	1.2
465.08185	6.7
483.09903	1.7
501.17651	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	500.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
54.35424	1.1
55.01873	6.8
55.05520	7.4
56.96559	1.1
57.03435	2.4
57.07071	1.9
58.99586	7.8
65.03920	1.8
67.05507	28.8
69.03419	2.2
69.07078	5.0
69.88079	2.9
69.88483	2.1
70.02974	1.2
70.06611	0.9
70.52688	0.9
71.04978	1.7
72.04508	2.8
72.08149	1.3
76.02229	26.4
79.05499	9.2
81.03419	1.9
81.07063	25.4
83.04988	1.8
83.06105	2.7
83.08617	3.0
84.04501	12.3
85.01118	1.2
85.02912	1.9
86.99047	2.5
87.02692	1.2
88.02192	1.9
90.05556	20.2
91.05489	7.6
93.07046	9.7
95.04979	5.0
95.08613	37.1
96.08957	1.3
97.02880	1.0
97.06510	1.3
98.97564	1.0
104.01688	7.8
105.07036	11.0
107.08574	6.1
108.62172	0.9
109.06515	3.2
109.10160	23.3
113.04244	1.2
116.01677	16.4
117.07000	1.6
119.08577	10.1
121.10130	2.6
123.08070	3.8
126.05490	1.7
127.03896	1.4
129.06644	2.2
130.05014	3.9
130.06848	1.2
133.10130	4.7
134.09633	2.8
135.08035	1.4
137.05968	1.3
137.09637	1.8
139.05795	1.7
142.03195	4.9
143.08517	1.2
145.10091	1.5
151.14835	14.5
158.02721	51.9
159.07991	0.9
161.09605	1.9
161.13269	8.3
170.02753	2.0
175.05371	8.0
176.03783	25.9
177.15199	1.0
178.16032	1.3
179.14302	22.5
187.05327	2.1
193.06435	100.0
194.06682	1.3
203.14243	1.6
212.05051	1.0
215.05000	2.1
219.11938	1.0
230.08453	1.3
233.05910	11.2
236.14720	3.7
237.13130	2.6
247.11130	1.1
251.16435	1.0
252.16608	1.6
254.15750	1.2
274.29492	1.1
304.09796	1.0
305.08142	1.5
322.10611	8.0
353.18948	20.9
353.23273	1.3
371.19891	1.1
393.18420	2.4
411.19440	9.2
456.22900	1.2
464.20587	1.1
482.23453	5.4
500.21979	2.1
501.29669	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.5
55.01867	7.4
55.05517	28.6
57.03443	26.2
57.07069	9.0
60.08157	5.4
60.73731	3.2
61.02928	66.9
64.83955	3.0
67.05509	88.6
69.03436	31.2
69.06728	3.2
69.07078	38.4
71.01360	5.0
71.04980	7.5
71.08633	4.1
73.02917	29.1
79.05501	37.1
81.03432	23.0
81.07063	100.0
83.04990	8.2
83.08618	24.1
83.43873	3.4
85.02430	5.1
85.02914	73.6
85.10155	3.3
86.09689	9.2
87.90803	3.0
91.03961	47.0
91.05482	28.3
93.07056	32.6
95.04974	5.7
95.08056	5.4
95.08617	75.3
97.02899	61.0
97.06502	4.2
97.10143	16.9
98.20721	7.3
99.04449	10.1
101.02386	10.0
103.03954	11.6
104.10750	18.8
105.07050	22.7
105.11082	4.3
107.08595	20.3
109.02862	11.1
109.10159	27.2
111.04459	7.2
111.11722	4.5
113.09647	3.5
115.03947	4.5
117.05455	3.4
117.07021	5.0
119.08607	14.8
121.10164	16.0
123.11726	19.4
124.68224	3.2
125.00015	4.6
127.03915	24.6
129.05496	6.1
131.08549	7.0
133.10133	14.3
135.11697	7.9
137.13280	7.4
145.04977	11.0
145.10158	6.7
147.11679	14.0
149.13251	9.4
151.14929	3.5
161.13257	11.1
163.14842	8.8
177.16499	4.0
183.06538	6.5
184.07358	9.6
185.07718	3.5
186.07845	8.3
189.16373	4.3
194.60136	3.1
199.78690	3.0
201.07597	4.4
210.89685	3.0
229.47556	3.5
245.22659	9.8
262.22995	3.5
263.23740	22.7
304.03687	3.0
333.42352	3.3
337.27374	94.2
338.27695	5.1
371.25720	6.4
463.30524	3.7
481.32822	5.2
499.32928	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	499.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.6
55.01864	5.9
55.05515	34.4
57.03434	27.9
57.07059	10.9
58.96473	3.9
61.02660	3.5
61.02931	55.8
62.90031	2.9
64.26984	2.9
67.05506	100.0
69.03432	40.7
69.07066	38.7
71.01365	8.3
71.04980	7.5
71.08650	4.1
73.02917	39.3
75.04504	3.4
79.05492	42.4
81.03419	27.1
81.07064	94.1
83.04977	10.4
83.08637	28.0
85.02910	54.4
85.06542	6.3
91.03962	41.2
91.05483	32.4
93.07048	42.1
95.04955	8.7
95.08611	81.0
97.02895	56.6
97.06519	5.3
97.10184	17.7
99.04446	11.9
101.02367	13.8
103.03954	11.8
105.07038	23.1
106.57845	3.7
107.08592	24.6
109.02886	10.5
109.06482	4.5
109.10148	26.5
111.04432	5.8
111.08082	4.7
115.03925	7.0
117.05527	5.0
117.07008	5.8
118.35895	3.4
119.08622	18.7
121.10150	19.1
123.08038	3.8
123.11716	18.9
127.03917	23.4
129.05493	9.4
129.06952	3.9
131.08556	11.1
133.10126	14.2
135.11687	10.4
137.13254	10.1
139.11115	4.6
142.35379	3.2
145.04968	10.2
145.10077	6.8
147.11682	11.3
149.13261	11.4
151.14792	5.5
159.11757	3.2
161.13322	3.9
163.14856	7.6
173.13283	4.6
175.14893	7.4
183.06560	8.0
201.07611	5.3
235.75377	4.1
245.22653	6.9
261.22656	3.7
263.23715	22.5
305.24713	3.5
337.27386	93.1
353.24808	3.5
371.25687	6.1
414.10904	4.5
445.29901	4.7
499.33063	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	499.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96578	1.3
57.03437	1.3
59.02770	1.0
63.98444	1.1
66.17527	0.9
67.05515	0.9
69.03439	2.0
69.60857	1.6
69.61266	4.4
70.06601	1.7
81.03439	1.6
84.08135	0.9
85.02895	1.9
91.05510	1.3
93.07060	1.4
99.08102	2.3
103.77084	1.0
105.07043	1.7
107.04942	1.2
109.10134	1.2
117.03419	1.9
117.71324	0.8
119.04979	1.5
119.08626	1.5
120.08112	2.1
121.02892	2.5
127.03938	1.1
135.04448	1.1
137.06006	1.9
139.92120	0.8
145.02849	2.4
147.04434	1.4
149.06036	2.6
155.80550	1.0
161.09657	1.0
162.06804	1.2
163.03958	1.4
175.03992	1.0
177.05518	5.1
185.02271	0.9
191.07153	1.3
201.05569	3.8
203.03458	4.6
203.05334	3.5
213.05365	1.1
227.05249	1.2
230.84682	1.0
233.15144	2.4
245.06313	7.6
249.08931	1.5
251.09222	6.6
251.16371	1.0
271.04395	1.1
271.09839	1.1
275.14975	1.7
289.05322	97.1
293.08231	1.5
293.16031	4.1
295.06113	1.1
301.10812	2.2
305.16678	0.9
308.06622	1.2
309.07571	1.2
321.07446	9.0
322.08264	1.7
331.11938	1.5
335.09058	1.2
337.05475	4.1
337.10757	4.4
343.11835	3.6
349.07193	4.2
351.08340	1.5
355.12006	2.8
367.13803	2.9
379.08218	2.8
385.13022	2.2
403.13937	2.3
421.14987	1.8
427.14136	1.0
433.15216	1.3
442.48462	1.0
445.15164	2.2
455.22784	6.4
463.10123	3.0
463.16013	1.6
481.11090	7.7
499.21582	100.0
500.21948	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	499.2688
Annotation	12,13-Deoxyroridin E
Peak:m/z	Relative Intensity
57.03437	0.7
60.79596	0.6
62.12744	0.6
64.04576	0.5
67.05491	1.1
70.27277	2.1
73.20399	0.5
81.07099	0.9
87.08293	0.6
93.07005	0.7
95.08640	0.7
127.33510	0.6
128.74419	0.6
149.24568	0.6
169.01704	0.6
211.35757	0.6
443.23840	2.0
499.26642	100.0
500.26971	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	499.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65802	0.7
55.05513	1.7
59.38829	0.7
65.10414	0.6
69.03447	0.8
69.59798	4.3
70.06597	1.0
81.07063	0.8
83.08614	1.0
93.07063	1.1
97.06514	0.7
98.97594	1.3
99.08090	1.8
100.11261	6.9
101.11594	1.0
105.07079	0.7
107.04964	0.9
107.08635	1.0
109.27507	0.7
111.04487	0.8
119.04984	0.8
119.08589	1.3
121.02887	1.9
121.10098	1.1
133.10127	1.2
139.93996	0.7
142.35686	0.6
151.14142	0.7
182.15456	1.6
203.03503	3.4
203.05243	0.7
209.16528	2.5
210.14859	1.8
210.16725	1.0
211.15312	0.7
213.12320	0.7
221.04955	1.3
227.05254	0.7
233.04475	0.9
233.15431	1.7
239.77216	0.7
245.06215	1.2
246.14995	0.8
251.16310	2.2
271.04178	0.9
275.15109	0.8
289.05353	6.2
295.06030	0.8
307.06000	0.9
308.06851	1.4
309.07715	0.8
321.07550	6.3
322.08496	1.6
323.09137	0.9
333.07678	1.3
335.09409	1.0
349.06931	4.2
351.08566	1.7
361.06967	1.0
375.08652	1.1
379.07968	4.9
395.19299	2.8
403.08044	1.2
409.09131	0.9
413.21426	9.3
435.33386	1.0
436.33786	1.5
437.20688	2.5
453.34518	7.8
454.34586	9.4
455.22562	31.0
456.22794	0.8
463.10184	3.3
481.11160	6.6
499.21512	100.0
500.22198	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09163	0.5
55.05519	0.6
56.96564	0.9
67.05508	1.0
69.07051	0.6
69.71168	2.8
79.05502	0.7
81.07043	2.3
82.07359	0.5
85.02917	0.8
85.06546	1.1
91.05482	0.6
93.07037	0.7
95.08612	0.7
98.20786	0.6
98.97589	0.8
104.84858	0.6
105.07008	0.5
107.08620	1.0
109.10191	0.9
115.05473	0.5
119.08514	0.4
121.10172	0.7
128.47551	0.5
133.10150	1.3
135.11658	1.1
137.05988	0.8
138.44783	0.5
139.03970	0.7
147.04404	0.5
168.15886	0.5
178.13066	0.6
185.04199	0.6
186.01010	0.5
190.40393	0.5
193.15977	0.7
207.33051	0.5
227.05214	2.6
245.06326	1.3
251.16301	3.2
261.10193	0.5
267.55920	0.5
269.17548	1.3
270.17892	1.7
289.05325	2.1
293.16437	1.0
307.09131	0.5
374.14420	0.6
395.20285	0.9
413.21524	7.7
431.21161	1.2
437.21405	1.9
455.22537	20.3
481.20419	1.4
499.21542	100.0
500.21945	2.5
505.84653	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2155
Annotation	Val Glu His Asp
Peak:m/z	Relative Intensity
55.05506	0.5
63.69725	0.3
67.05515	0.5
69.07080	0.4
69.39498	1.0
69.39907	1.6
77.23116	0.3
79.05496	0.5
81.07053	0.6
82.19896	0.3
85.02892	0.4
91.05460	0.3
93.07027	0.7
95.08624	1.0
98.21574	0.6
99.08125	0.9
105.07034	0.4
106.58649	0.4
107.08607	0.3
109.10171	0.7
115.81076	0.3
115.95660	0.3
117.99134	0.3
119.08575	0.5
132.57895	0.3
133.10129	0.7
135.11702	0.7
137.06023	0.3
137.09650	0.6
165.59302	0.3
185.04207	0.4
190.90388	0.3
201.05559	0.3
227.05310	1.2
229.03339	0.7
237.31535	0.3
245.06403	1.1
251.16479	0.6
265.81320	0.3
271.04190	1.5
287.14590	0.3
289.05405	1.4
293.16040	0.4
337.10571	0.6
365.18161	0.3
395.20047	0.5
413.21466	4.3
427.52295	0.4
437.21078	1.5
455.22437	14.3
481.20465	1.2
499.21567	100.0
500.22043	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	499.2156
Annotation	Brianodin D
Peak:m/z	Relative Intensity
62.61682	0.6
63.70979	0.5
69.03416	1.6
69.07059	0.6
71.45217	1.1
79.05447	0.5
81.07077	0.8
85.02866	1.0
91.05491	0.8
93.07024	1.0
95.08585	0.8
98.97598	1.4
105.07043	0.9
107.08594	0.6
109.02930	0.6
116.98664	0.9
117.05480	0.8
117.07030	0.6
119.08599	0.8
123.11684	0.6
127.03941	1.4
133.10138	1.1
135.68028	0.5
145.10143	0.5
158.99533	0.6
173.01189	0.7
210.09540	1.1
211.09875	0.5
227.05377	0.8
233.15201	1.6
245.06352	1.2
251.16304	1.3
263.09225	0.9
266.56943	0.7
271.04379	1.0
289.05377	1.6
289.14795	1.0
395.20361	4.3
413.21350	2.5
419.20456	0.7
437.21518	13.8
438.22119	0.7
455.22913	4.5
481.20483	100.0
482.21024	2.0
499.21375	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	499.186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18764	1.8
56.96577	14.4
59.16289	1.6
71.55665	3.4
81.07053	3.3
84.96040	5.8
85.02863	1.7
93.07011	4.4
95.08614	3.8
98.97592	61.4
107.08548	2.6
110.96941	1.9
110.97559	10.8
112.99144	6.8
115.00710	4.2
116.98627	15.0
121.10139	3.7
128.98611	5.8
131.00206	2.7
134.99673	2.1
144.98152	2.8
158.99687	28.0
161.01135	1.9
170.99687	1.9
173.01274	3.6
177.00749	15.5
191.02283	2.6
201.00769	5.2
219.01772	19.5
223.10004	2.6
227.09604	2.3
233.08545	3.5
237.02855	19.1
241.11118	2.2
242.03366	1.8
249.11621	12.0
251.13277	6.2
260.62711	1.9
267.12692	41.2
269.14255	17.0
285.13763	9.5
287.15277	5.4
291.12820	3.9
293.14282	27.4
297.13672	2.3
305.14093	1.9
311.15378	11.8
353.16391	2.6
413.18497	100.0
431.19620	19.9
439.21951	2.9
455.13394	3.1
455.19559	58.5
473.20721	4.0
499.19498	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	499.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96578	1.3
57.03437	1.3
59.02770	1.0
63.98444	1.1
66.17527	0.9
67.05515	0.9
69.03439	2.0
69.60857	1.6
69.61266	4.4
70.06601	1.7
81.03439	1.6
84.08135	0.9
85.02895	1.9
91.05510	1.3
93.07060	1.4
99.08102	2.3
103.77084	1.0
105.07043	1.7
107.04942	1.2
109.10134	1.2
117.03419	1.9
117.71324	0.8
119.04979	1.5
119.08626	1.5
120.08112	2.1
121.02892	2.5
127.03938	1.1
135.04448	1.1
137.06006	1.9
139.92120	0.8
145.02849	2.4
147.04434	1.4
149.06036	2.6
155.80550	1.0
161.09657	1.0
162.06804	1.2
163.03958	1.4
175.03992	1.0
177.05518	5.1
185.02271	0.9
191.07153	1.3
201.05569	3.8
203.03458	4.6
203.05334	3.5
213.05365	1.1
227.05249	1.2
230.84682	1.0
233.15144	2.4
245.06313	7.6
249.08931	1.5
251.09222	6.6
251.16371	1.0
271.04395	1.1
271.09839	1.1
275.14975	1.7
289.05322	97.1
293.08231	1.5
293.16031	4.1
295.06113	1.1
301.10812	2.2
305.16678	0.9
308.06622	1.2
309.07571	1.2
321.07446	9.0
322.08264	1.7
331.11938	1.5
335.09058	1.2
337.05475	4.1
337.10757	4.4
343.11835	3.6
349.07193	4.2
351.08340	1.5
355.12006	2.8
367.13803	2.9
379.08218	2.8
385.13022	2.2
403.13937	2.3
421.14987	1.8
427.14136	1.0
433.15216	1.3
442.48462	1.0
445.15164	2.2
455.22784	6.4
463.10123	3.0
463.16013	1.6
481.11090	7.7
499.21582	100.0
500.21948	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	497.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69773	0.6
54.03425	2.3
55.01821	6.3
55.05460	4.4
57.07021	17.8
57.07333	1.8
58.06574	1.3
59.04947	7.8
64.46031	0.8
67.05445	7.3
69.03374	15.4
69.03777	1.1
69.07011	6.0
69.27670	4.6
69.28086	1.8
71.08636	18.9
72.04522	27.1
72.04882	1.7
73.02865	1.7
79.05429	0.8
81.07065	11.8
83.08630	8.2
84.04444	2.3
85.06557	0.7
85.10193	10.7
86.06072	27.1
86.06564	1.1
87.04477	14.4
89.05953	2.1
93.06990	1.8
95.08616	14.6
97.10179	7.0
98.06004	3.0
98.20746	0.9
99.11688	1.0
104.07113	24.1
107.08554	0.7
109.10168	7.8
111.11649	2.5
112.07549	1.2
123.11722	3.4
125.13215	1.7
128.07088	35.9
137.13210	1.7
140.07077	40.3
146.08093	0.9
149.13187	1.3
151.14777	1.1
157.09741	18.4
158.06883	0.9
158.08144	16.0
161.46315	0.7
175.10789	41.9
179.17783	0.8
241.18004	1.6
291.04636	0.9
323.33051	3.8
340.35733	7.0
352.35620	3.5
393.38339	1.1
394.36829	100.0
395.36954	1.5
479.42090	20.3
497.43088	23.4
497.50458	1.2
498.43661	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.5
57.07082	33.7
67.05491	1.2
69.07080	1.9
71.08641	27.6
71.55801	1.4
73.06559	7.1
81.07072	1.3
83.08624	2.2
85.10192	22.2
87.04476	4.5
88.03983	1.3
89.06041	100.0
93.07056	1.0
95.08590	1.2
96.13208	1.0
97.10170	3.7
97.43922	0.8
99.11724	3.5
107.07097	2.7
113.13297	1.3
117.09168	4.7
119.06524	0.8
124.66394	0.8
130.08662	2.8
131.07091	1.5
133.08617	54.0
155.01106	1.1
155.17950	4.1
162.26784	0.8
177.11230	18.3
195.12256	1.0
199.20572	3.4
216.42131	1.0
221.13878	3.9
239.14886	3.1
240.23221	1.4
243.23256	6.7
283.17569	2.6
287.25851	4.4
313.27460	2.2
327.20160	9.0
437.34720	1.1
481.37466	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	499.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43143	2.1
55.01865	8.1
57.03442	14.4
57.06872	1.9
57.07081	23.1
61.71145	1.9
67.05508	5.5
68.19321	1.6
69.03420	8.1
70.06594	4.0
70.52435	5.3
73.91167	1.7
79.05482	5.3
81.03405	10.9
81.07043	2.7
83.04996	2.3
85.02505	2.0
85.02917	21.2
85.06571	11.0
91.05475	2.7
93.07070	3.2
95.01301	4.1
95.04971	2.9
97.02895	7.8
103.03947	6.0
103.05476	2.2
105.07001	3.5
107.04961	5.2
107.08557	1.9
109.02877	9.1
109.06484	3.0
115.05470	2.2
117.07001	2.0
119.04923	3.4
121.02867	11.3
121.06483	2.6
123.04433	5.4
127.07600	3.5
128.06148	2.3
129.07062	3.2
131.04901	3.6
133.02786	2.0
133.06525	4.9
135.04416	4.9
135.08067	3.9
139.03926	4.6
141.06941	2.4
143.08557	3.3
145.02876	2.1
145.06485	5.3
145.10127	3.5
147.04407	7.0
147.08055	2.0
149.05978	2.6
151.03879	5.9
155.08609	2.8
157.06464	4.2
159.08032	4.6
161.05992	5.1
163.03896	4.0
163.07590	3.3
165.07108	3.6
169.06502	4.6
171.04414	3.8
171.08147	4.2
173.05991	4.5
173.09598	4.8
175.03938	5.5
175.07526	6.4
177.01918	3.3
177.05428	4.2
181.06555	3.3
181.10081	2.8
183.08047	4.9
185.05981	6.9
185.09671	6.4
187.03914	9.7
187.07556	7.5
187.11101	2.7
189.05444	5.5
189.09132	5.5
191.03442	3.4
191.07031	5.1
195.02956	2.8
195.08020	4.0
196.09010	2.2
197.06047	7.2
197.09534	5.5
199.07545	11.9
199.11221	2.4
201.05475	11.7
201.09097	7.9
203.03410	11.1
203.07031	6.8
205.04935	4.4
205.08536	9.5
208.08772	2.2
209.09705	2.7
211.07550	8.5
211.11322	3.0
213.05455	9.6
213.09055	11.0
214.06274	3.5
215.03320	3.7
215.06998	11.6
215.10709	6.1
217.05013	8.4
217.08585	23.1
221.04393	4.1
223.07730	2.8
223.09688	7.4
225.05475	5.6
225.09119	7.6
227.03448	4.3
227.07053	11.5
227.10667	8.9
228.07855	3.1
229.05115	10.4
229.08595	32.5
231.10222	3.0
235.09558	16.3
236.08212	2.4
237.05286	2.3
237.09035	2.5
239.07014	7.0
239.10663	5.8
240.07689	3.4
241.04892	6.5
241.08600	17.6
241.12169	2.9
242.09499	2.8
243.06639	14.4
243.10222	24.0
245.08246	4.9
247.09665	15.7
249.09081	2.9
251.07053	4.6
251.10756	2.7
251.16368	2.7
253.05031	3.0
253.08627	10.4
254.05693	3.2
254.09288	3.6
255.06581	5.6
255.10274	13.0
257.04514	3.2
257.08099	8.1
257.11722	4.4
259.06052	4.9
259.09695	13.9
261.07642	8.7
264.07764	2.4
265.08643	5.6
267.06760	4.7
267.10193	12.1
268.07199	2.8
269.04379	2.5
269.08160	9.5
269.11713	9.3
271.06717	2.1
271.09668	53.4
273.11334	3.6
277.10712	6.9
279.06607	5.0
279.10144	7.2
281.04807	2.2
281.08078	7.2
281.11578	4.8
283.06424	3.9
283.09641	33.6
285.07715	4.9
285.11142	5.4
287.09189	2.9
289.05606	16.4
289.10693	72.0
293.08276	4.3
293.11478	3.9
295.06247	4.4
295.09619	25.8
297.07785	4.8
297.11240	14.5
299.09235	5.0
301.07434	3.4
301.10684	53.3
306.08725	3.1
307.06006	3.5
307.09537	8.9
308.07037	2.7
309.07932	3.7
309.11188	14.0
311.09152	3.6
311.12695	3.7
313.07196	3.9
313.10669	37.4
315.12158	5.5
317.10294	2.7
319.11740	8.8
321.07541	15.3
321.11200	14.0
323.09268	4.0
325.07068	4.6
325.10678	32.9
327.12347	5.3
329.10101	8.8
331.11765	34.8
335.12708	3.9
337.10489	30.4
339.12262	8.0
341.10260	4.1
343.11792	87.3
347.11325	2.5
349.06845	6.1
349.12729	19.3
351.08524	2.6
351.12274	4.4
355.11649	72.9
357.13434	3.4
361.13214	10.0
363.12393	3.5
365.12061	5.9
367.14371	100.0
373.12863	10.9
379.07663	3.7
379.11969	8.7
381.13095	2.6
385.12836	72.2
391.11841	3.2
397.12888	25.5
403.08612	3.9
403.13904	59.3
409.13028	14.1
415.13959	35.2
421.14932	71.7
427.13818	23.4
433.14966	56.5
445.09189	3.9
445.14960	38.4
451.16028	6.7
455.22241	3.7
463.10056	7.7
463.15952	37.4
481.11157	10.0
481.17050	44.0
499.22235	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	497.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91983	0.6
55.05499	0.8
62.28234	0.7
67.05449	0.7
69.03379	0.9
81.03349	0.8
81.07008	0.8
85.02839	1.1
89.03551	0.6
91.05456	1.4
93.06981	1.4
95.08573	0.9
98.21503	1.8
98.97527	1.2
101.00810	1.4
102.78062	0.6
105.06953	1.8
107.05010	0.6
107.08514	1.9
113.33429	0.6
117.06929	0.6
119.08502	1.0
120.07986	1.1
121.10098	1.3
133.10136	3.9
157.03380	0.7
157.07402	0.7
161.02940	0.9
189.85185	0.7
203.05238	2.1
211.94710	0.6
227.05254	1.3
229.12137	0.9
231.13638	1.0
245.06361	7.2
249.14684	0.8
271.04318	1.1
287.03903	0.9
289.05316	100.0
289.47586	0.7
290.05676	1.5
411.19910	0.8
442.30640	0.7
453.21854	7.5
479.18958	0.8
497.20163	89.1
498.20505	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.05513	1.0
56.96562	1.2
67.05501	2.5
69.03423	0.9
69.07069	2.1
70.58453	1.4
70.58781	1.0
71.05008	1.0
75.01826	0.8
79.05489	1.6
81.07050	4.1
83.08601	1.3
85.02909	2.4
85.06554	1.5
91.05524	1.8
93.07062	2.8
95.04980	4.3
95.08602	4.2
97.06518	0.8
97.10166	0.8
98.90759	0.7
98.97594	2.7
102.67012	0.7
104.71430	0.8
105.07044	2.4
107.04984	0.9
107.08585	1.8
109.10171	2.1
117.07103	0.9
119.08585	1.8
121.10140	1.6
123.11747	1.1
127.03936	0.9
133.10092	1.3
135.08063	0.9
137.06093	0.9
147.11699	0.8
149.13298	1.3
159.10393	0.8
159.11765	0.7
227.05342	0.9
245.06332	1.1
249.14731	2.4
283.63889	0.7
289.05432	3.1
372.12909	0.8
411.20059	6.5
453.20923	17.6
479.19437	0.9
497.20029	100.0
498.20514	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	497.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.8
55.01852	6.1
55.05512	27.2
57.03187	2.6
57.03440	32.7
57.07069	2.8
61.02929	69.0
65.03929	5.7
67.05507	100.0
69.03075	3.1
69.03431	41.0
69.07072	25.4
69.57087	7.2
69.57501	3.9
71.01361	8.7
71.04990	6.3
73.02922	30.6
75.04474	2.1
79.05496	69.6
81.03418	28.4
81.07062	95.8
83.01328	3.1
83.04967	7.7
83.08621	10.7
85.02910	74.4
85.06574	2.1
87.04463	3.8
87.63670	1.6
91.03416	2.5
91.03967	42.7
91.04974	2.9
91.05483	42.0
93.06479	3.5
93.07051	64.8
95.04970	11.1
95.08610	77.7
97.02292	3.7
97.02902	56.7
97.06525	5.4
97.10154	3.4
99.04475	13.6
99.08054	2.0
101.02379	16.4
103.03957	10.7
105.04547	2.2
105.07025	36.9
107.08599	38.5
107.25838	1.7
109.02890	13.5
109.06511	2.9
109.10162	29.5
111.04433	4.6
111.08096	3.6
115.03934	7.4
117.07023	15.0
117.41473	1.5
119.08601	22.6
121.06542	2.3
121.10158	29.8
123.08056	3.4
123.11715	14.3
127.03096	2.3
127.03931	26.4
129.05469	8.5
129.07010	6.2
131.08574	28.8
133.06502	2.6
133.10136	18.0
135.11691	20.1
137.09602	2.8
137.13235	2.3
143.08531	5.2
145.04956	10.3
145.06395	1.8
145.10167	16.3
147.08018	2.5
147.11707	12.4
149.09561	3.9
149.13293	16.2
151.11226	2.5
155.08543	4.0
157.10143	3.5
159.06625	2.0
159.08029	2.2
159.11703	14.7
161.13231	15.3
163.14790	7.3
166.63133	1.9
169.10168	2.6
171.11694	5.3
173.13234	11.9
175.11217	3.4
175.14824	4.1
177.12692	2.4
183.06485	6.5
183.11739	2.4
185.13284	3.6
187.14777	5.8
189.16293	2.5
197.13345	3.4
201.07581	4.4
201.16458	3.1
219.17281	2.0
223.11214	1.9
225.12602	1.9
243.21007	6.9
261.22165	20.8
265.62839	1.8
279.23282	3.2
301.21646	3.1
303.23132	2.5
315.23370	2.8
335.25812	84.8
345.24216	2.9
363.24927	2.2
369.24124	5.2
377.26993	2.7
387.25400	3.2
419.27570	3.1
443.28104	4.2
461.29111	3.3
479.30002	5.6
497.31314	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	496.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.4
55.54151	0.3
56.05029	0.8
57.07068	0.8
58.06622	0.7
60.08167	6.3
67.05506	0.6
69.07072	3.0
69.22469	3.0
71.07379	3.5
71.08630	0.7
79.05493	0.4
81.07052	1.2
83.08621	0.3
86.09712	30.9
93.07027	0.5
95.08584	0.7
97.02879	0.3
98.98466	3.4
100.48376	0.3
101.39488	0.3
104.10754	3.4
104.43263	0.3
105.06982	0.3
109.10163	0.3
125.00016	21.8
128.72041	0.3
147.04431	0.4
161.83861	0.3
184.07353	100.0
185.07687	0.5
202.92003	0.3
226.98630	0.4
236.97009	0.3
249.14656	0.3
254.98177	1.1
265.18130	0.3
272.99173	0.4
311.04547	0.4
396.22931	0.3
431.10245	0.4
478.32959	1.2
496.34418	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99861	2.3
65.03953	1.7
70.52981	2.9
76.53878	1.3
82.99825	2.0
87.34103	1.3
91.05492	15.9
98.97598	1.8
101.00877	9.5
113.00890	2.8
115.02454	2.5
119.01917	12.8
119.04954	27.3
131.01920	16.3
133.03468	4.1
137.03056	1.8
143.01944	8.0
145.03485	4.5
147.04414	100.0
148.04762	3.2
149.02913	3.5
155.01898	7.5
159.01411	3.9
161.03009	7.7
161.06622	1.8
173.02930	14.9
175.04602	1.7
177.02451	18.1
181.03398	2.2
185.02986	2.1
195.03490	5.2
197.06593	1.6
199.04440	1.7
201.00563	2.2
201.02461	39.4
202.02725	2.4
203.03911	1.5
203.07750	2.9
205.03468	10.0
213.02470	2.8
214.59383	1.7
215.07504	2.4
219.01366	3.0
219.03516	63.1
220.03633	1.9
223.04526	10.7
227.04100	8.5
229.03543	4.9
233.01527	2.1
236.27139	1.5
241.05557	3.9
245.01443	11.0
245.05078	3.6
247.04582	17.6
251.02377	2.4
259.04413	2.7
263.02502	2.7
265.05627	18.9
283.06702	2.2
287.04156	2.9
305.03238	9.6
305.10898	3.8
309.03970	1.4
321.04782	1.7
323.06146	11.6
333.03003	17.9
341.07358	1.9
351.04163	11.9
361.04187	2.0
379.05081	4.5
397.06061	5.0
497.13150	2.2
519.61133	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81002	1.2
53.03951	2.3
55.01883	1.2
55.05515	7.4
56.96563	2.1
57.03425	4.5
57.07055	1.4
61.02916	3.0
67.05186	1.4
67.05511	20.9
68.05824	1.4
69.03417	2.3
69.07076	9.4
69.30780	9.8
71.04980	3.2
73.02924	2.1
74.50995	1.4
79.05492	14.1
80.05849	1.2
81.03442	7.0
81.06590	2.5
81.07063	49.1
82.03742	1.7
82.07385	3.0
83.04979	5.5
83.08606	4.5
85.02893	7.0
85.06528	4.6
91.03950	1.7
91.05484	22.1
92.05814	2.4
93.07039	10.5
95.04950	5.1
95.08623	10.4
97.02876	3.9
97.06540	6.0
97.07063	1.2
97.10049	1.2
98.21560	2.7
98.97559	1.5
99.08087	1.7
103.05504	1.5
105.07045	22.7
106.07323	2.3
107.04951	3.4
107.08591	11.0
108.05291	1.6
109.06524	3.8
109.10110	2.8
111.04414	1.7
111.08024	2.1
119.08582	16.5
120.08900	2.2
121.10155	14.7
122.10467	1.5
123.08051	3.8
123.11718	14.5
124.12037	2.1
127.03912	1.5
129.07010	3.2
131.08556	5.3
133.10132	8.1
135.11681	1.2
137.04953	1.3
137.13266	2.3
141.12010	1.1
142.07718	1.4
145.10135	2.6
147.08131	1.2
147.11693	45.9
148.12004	5.5
154.16560	1.2
155.72937	1.0
157.10098	4.5
158.10594	1.2
165.12769	25.2
166.17915	1.2
170.97867	1.5
175.11194	5.1
193.12263	14.7
194.12643	2.7
197.15384	4.4
211.13210	2.5
212.13597	2.8
225.14838	4.2
229.14461	1.6
243.15929	5.6
255.09059	2.2
267.09128	1.8
267.15909	12.9
268.16177	3.8
273.10172	1.5
285.16980	2.3
292.12228	1.8
299.18549	100.0
300.18875	1.7
315.15729	1.9
342.06906	2.6
365.16617	1.6
373.15103	2.5
403.86182	1.3
461.23895	1.6
496.29941	7.5
515.15869	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.34
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05511	0.6
56.05040	1.3
57.03434	0.7
57.07086	2.9
58.06577	1.9
59.07394	0.3
60.08166	17.2
62.62924	0.2
67.05508	0.6
69.07061	0.4
69.77538	0.6
69.77953	0.6
70.59592	0.2
71.07379	6.6
71.08626	2.0
81.07063	0.9
82.61293	0.2
83.08639	0.6
85.10203	1.3
86.09711	49.8
95.08614	1.3
97.10178	0.3
98.98473	4.0
104.10750	100.0
105.11086	0.5
109.10154	0.5
125.00012	27.2
136.79463	0.2
141.77110	0.2
149.02344	0.4
163.01558	0.4
167.03491	0.2
184.07349	95.7
185.07663	0.5
186.63470	0.2
221.39191	0.2
256.55200	0.2
258.11026	0.8
313.27432	1.9
419.25443	0.6
469.37036	0.2
478.32980	8.9
496.34012	27.5
497.34525	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.4
51.88207	1.2
53.03933	2.5
55.01866	3.0
55.05513	16.3
56.96553	2.6
57.03435	5.8
57.07065	1.1
61.02903	3.5
65.03932	1.5
67.05505	43.3
68.46855	1.1
69.03414	4.0
69.07072	15.9
71.04990	6.7
73.02914	2.9
79.05492	28.5
81.03423	7.4
81.07057	100.0
83.04991	9.9
83.08618	9.4
85.02895	5.4
85.06535	6.1
91.03962	1.9
91.05486	34.6
93.06479	1.6
93.07044	21.6
95.04986	5.8
95.08606	20.9
95.42190	1.2
97.02884	4.5
97.06509	4.8
97.10148	3.1
98.97574	1.1
99.04435	1.6
99.08089	4.6
101.06011	1.7
105.07034	42.1
107.04942	2.9
107.08589	15.7
109.06506	5.8
109.10142	5.3
111.04436	1.4
111.08051	2.5
113.05967	1.6
115.05402	1.2
117.06997	3.9
119.07806	2.0
119.08586	33.0
121.10142	23.2
123.08053	4.6
123.11713	29.2
125.09634	1.7
127.03936	1.3
127.07543	2.6
129.07036	2.4
131.08551	3.9
133.10123	2.8
135.11674	2.3
137.09625	1.4
137.13234	1.6
141.09064	1.5
145.10081	2.1
147.11690	67.4
149.09663	1.8
149.13271	2.8
157.10094	3.6
159.11615	1.7
163.11182	1.6
165.12762	31.4
175.11162	2.8
177.05345	1.2
183.13802	4.3
193.12215	5.3
209.11700	2.9
211.13324	3.4
223.11018	1.4
227.12704	2.0
229.07457	2.8
229.14441	7.2
237.02760	1.2
243.09026	1.4
257.04510	1.7
267.09125	3.2
267.15921	40.5
285.10101	3.5
285.16885	3.9
333.20517	2.4
375.69418	1.2
414.20145	1.6
449.28995	2.4
459.27344	1.8
477.28525	9.0
495.12790	2.4
495.29669	32.3
496.30011	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58186	1.3
53.03938	1.7
54.58995	1.1
55.05507	2.3
55.73347	1.3
57.03433	4.2
60.04526	1.5
62.88122	1.4
67.05511	13.6
69.03398	1.5
69.07066	7.2
71.05010	2.2
71.24415	3.3
79.05499	5.8
81.07060	33.2
83.04976	3.8
83.08613	4.2
85.02912	3.6
85.06566	2.7
91.05481	8.9
91.08134	1.6
93.07059	5.8
94.33731	1.6
95.01361	3.4
95.04958	1.2
95.08622	6.8
97.06539	4.8
99.08119	1.6
104.69202	1.2
105.07032	15.9
107.04929	1.8
107.08595	6.3
109.06534	2.7
109.10094	1.4
113.02383	1.4
119.08585	12.8
121.10156	11.1
123.08050	1.9
123.11725	13.8
124.03935	1.6
127.07571	1.7
137.13295	2.2
141.01839	3.9
147.11690	36.7
148.57359	1.4
157.10095	2.4
165.12766	14.7
175.11218	2.1
183.13847	3.0
229.14281	7.9
267.15933	46.9
285.16971	100.0
334.30087	1.7
361.02563	1.8
425.17853	1.9
461.20264	4.1
484.33054	1.6
497.19879	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	496.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21872	1.3
55.01857	1.1
55.05511	5.9
56.96560	3.0
57.03452	5.5
61.02934	1.4
67.05522	11.1
69.03444	2.4
69.07058	5.8
70.83297	2.2
71.04983	2.4
73.02888	1.5
73.99987	1.2
79.05490	5.2
81.03432	2.3
81.07060	36.8
83.04980	3.7
83.08624	4.2
85.02918	6.1
85.06532	2.5
91.05490	11.7
93.07031	7.5
95.01345	1.4
95.04985	2.0
95.08622	9.4
97.02895	2.5
97.06542	3.2
98.97588	3.9
99.08086	2.4
100.11279	2.1
104.93874	1.2
105.07021	15.2
107.04999	1.2
107.08604	6.1
109.06517	4.0
113.02382	2.3
115.80628	1.0
119.08585	13.4
121.10127	11.5
123.08068	2.3
123.11707	16.4
127.07548	1.2
131.08585	2.2
133.04916	1.5
133.10118	2.2
137.13272	2.2
141.01862	3.4
145.10060	2.1
147.04343	2.5
147.11702	42.4
157.10114	1.7
165.12767	18.2
167.08614	1.5
175.11253	2.2
182.15482	1.8
183.13794	1.9
193.12335	1.5
210.15050	1.4
211.13353	1.3
218.07213	1.3
229.14456	9.2
251.09515	1.9
257.04495	1.6
258.04999	1.5
267.15909	31.7
285.16986	100.0
295.42831	1.2
322.07404	1.3
325.11874	1.3
461.20117	8.0
496.12939	3.3
497.19357	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2747
Annotation	Biperezone
Peak:m/z	Relative Intensity
53.03954	0.6
54.75315	0.6
55.01865	0.9
55.05528	3.2
57.03413	0.8
59.91200	0.7
65.03928	3.7
67.05511	7.6
69.03456	0.7
69.07079	3.1
70.20514	2.3
71.04994	0.8
73.01312	0.6
73.02913	0.5
79.05485	3.4
81.03426	1.8
81.07072	7.5
83.04982	1.5
83.08620	2.2
83.48404	0.7
85.02921	0.8
85.06563	0.8
91.05487	5.3
93.03400	2.6
93.07055	4.8
94.20574	0.6
95.04988	1.3
95.08618	5.1
97.02924	0.9
97.06551	0.8
105.07018	2.6
107.04912	1.4
107.08600	4.2
109.10172	4.2
111.08095	1.2
119.04967	5.8
119.08583	1.7
121.02866	2.1
121.06507	1.1
121.10181	3.8
123.04404	0.8
123.08084	0.7
123.11721	2.6
123.65230	0.6
127.11208	1.8
131.01321	3.5
131.08623	0.9
133.06473	0.9
133.10115	1.2
135.11674	3.1
137.02321	0.8
137.13396	0.7
139.11185	1.7
145.10117	1.5
147.04424	52.8
149.02351	90.9
149.13300	1.3
150.02695	1.1
151.03909	1.3
153.12740	1.5
157.10033	0.6
157.12204	2.0
159.11729	1.3
161.05978	1.4
163.03899	1.6
163.11166	2.2
165.12683	0.7
167.03415	100.0
177.05518	0.7
180.45959	0.6
181.12206	0.9
189.05522	1.9
191.07028	0.7
191.10597	0.9
193.04996	0.9
203.07106	1.5
207.06511	0.6
209.11757	0.9
217.08591	1.1
227.12834	0.9
229.08514	1.2
239.20094	1.3
247.09700	2.1
269.08084	38.9
271.13223	0.7
285.29736	1.0
289.14063	1.0
299.16528	2.4
309.11255	0.9
317.13605	3.5
337.14307	1.0
339.19623	1.1
343.11465	0.9
357.20566	1.6
361.12640	9.2
367.15421	1.4
375.21591	2.0
439.68213	0.7
447.25208	1.8
450.81500	0.7
459.25461	0.7
465.26569	1.1
477.18881	4.0
477.26566	6.8
495.19962	2.7
495.27502	31.6
495.35052	1.7
502.65988	0.7
519.29285	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.9
53.03949	5.4
55.05267	1.6
55.05516	22.8
56.96557	2.3
57.03439	13.9
57.07058	1.3
59.04987	1.1
65.03950	2.3
67.05510	39.7
69.03435	7.4
69.07069	10.1
71.01355	1.2
71.05003	8.4
71.06206	1.7
77.03922	1.3
79.05499	39.4
81.03426	86.9
81.07061	45.5
81.07443	0.7
83.04990	17.7
83.08143	2.0
83.08624	30.2
85.02914	45.6
85.06541	3.0
91.05486	49.1
93.07053	23.8
95.04366	2.0
95.04977	39.3
95.08620	16.7
97.02876	4.7
97.06545	5.2
97.10177	6.9
98.97587	4.5
99.04465	1.1
99.08134	2.0
101.62443	0.8
105.04523	0.9
105.07037	36.4
107.04980	6.4
107.08601	13.2
109.06527	7.2
109.10157	5.4
111.04440	5.3
111.08090	18.1
113.06021	4.5
114.69270	0.9
115.00665	1.0
115.05463	2.9
117.07031	3.6
119.08600	27.3
121.06496	3.7
121.10161	13.5
123.08079	3.0
123.11707	3.4
125.06001	1.1
125.09644	3.9
127.07590	1.2
128.06219	1.8
129.07025	14.3
131.08591	13.3
133.06503	4.3
133.10146	14.3
135.08153	1.0
135.11679	2.3
137.05914	0.9
137.09650	3.0
142.07796	3.7
145.06471	1.2
145.10156	4.0
145.29767	0.9
147.08029	4.9
147.11690	22.4
147.12804	1.8
149.09624	9.1
149.13435	1.1
151.11108	1.1
155.08659	1.0
157.10130	20.5
163.11237	2.0
165.12769	5.8
169.10034	1.1
171.11877	1.0
175.11201	24.0
187.05998	2.4
193.12262	88.9
194.12619	1.2
211.13304	100.0
212.13698	2.0
227.12840	1.7
247.10162	1.2
249.14948	1.5
265.11276	2.5
267.15866	5.5
285.17010	4.6
289.11154	7.0
303.12909	1.5
331.11954	2.2
339.22940	1.1
359.22293	1.4
367.22681	1.7
385.23877	2.2
403.24756	1.4
431.28159	1.2
459.27750	2.8
477.28561	6.6
495.16678	4.4
495.29596	76.9
496.29959	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47307	1.4
53.03923	1.8
55.05510	4.0
57.07053	1.4
61.02910	1.3
65.03938	2.6
67.05506	10.5
68.74778	1.2
69.07059	4.9
70.59574	2.3
70.59937	2.9
71.05002	2.5
73.02901	1.2
79.05492	6.1
81.03414	3.4
81.07069	10.7
83.05000	1.8
83.08613	4.4
85.02882	1.3
91.03937	1.7
91.05481	6.8
92.05793	1.2
93.03406	1.5
93.07057	6.9
95.04974	1.8
95.08620	6.3
97.06519	2.1
99.66904	1.2
105.07023	3.3
107.08606	3.5
109.10143	4.1
117.07001	1.5
119.04952	4.0
119.08574	3.3
121.02912	1.9
121.06494	2.2
121.10117	3.0
123.11701	1.9
131.01312	2.8
131.08517	2.4
133.06497	4.3
133.10138	3.3
135.11688	3.4
147.04420	32.6
149.02351	54.8
149.13318	2.5
161.06004	9.4
167.03409	56.2
193.04930	2.9
193.12169	1.6
193.15924	1.2
203.06998	1.8
209.11929	1.4
215.10762	1.4
233.56891	1.1
269.08078	22.4
293.06512	2.0
309.11002	1.5
317.13623	35.9
343.11441	8.7
348.99252	1.4
361.12607	100.0
379.13657	11.7
459.17807	7.0
477.18958	44.2
477.26422	4.6
494.34760	1.6
495.12842	2.7
495.19763	34.7
495.27798	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	495.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.1
56.96571	42.1
57.03421	0.5
62.46682	0.6
67.05510	1.0
69.07066	0.7
69.97385	2.4
71.95275	6.1
72.96067	3.5
74.97588	0.8
75.35323	0.4
79.05469	1.0
81.03408	1.2
81.07029	2.2
83.04974	0.5
84.96013	1.9
91.05444	1.3
93.07025	1.0
95.04964	0.5
95.08620	0.8
97.96803	0.8
98.20782	0.7
105.00139	1.4
105.06999	1.7
107.08563	0.5
109.06538	0.5
110.97573	2.1
115.00665	0.9
119.01681	1.6
121.10117	1.1
128.98602	0.8
137.02740	2.7
139.00623	1.5
141.02222	2.9
145.10199	0.6
146.93715	0.5
147.11650	1.0
151.00627	0.8
151.04335	0.7
153.02208	2.0
155.03783	1.5
157.01749	0.9
159.03253	1.8
165.12749	0.7
167.03824	0.9
169.01634	0.8
171.03288	2.3
173.04785	1.1
175.02762	0.5
181.01703	0.8
183.06804	0.7
185.01195	0.9
185.04857	2.2
187.02820	0.6
189.00618	0.6
189.04427	1.1
193.05446	0.7
193.12233	1.1
199.02789	1.8
199.06418	1.2
203.02266	0.7
203.05914	2.0
211.06415	1.4
211.13202	0.8
217.03908	1.4
217.07472	1.1
217.95300	0.5
221.08591	0.9
223.06537	0.8
223.10016	9.4
223.11990	0.8
229.07512	0.9
231.06944	0.8
237.07967	2.0
239.09537	1.1
241.11133	100.0
242.11450	0.8
243.09085	0.5
249.08035	1.8
255.09148	0.9
259.12204	75.9
261.12646	0.6
264.12808	4.6
267.09042	17.5
282.13818	2.2
285.10123	76.0
286.10535	2.1
290.10696	0.6
294.78577	0.6
299.11591	0.7
303.11169	39.2
304.11710	0.6
308.11783	3.6
326.12729	1.9
477.21875	2.4
495.22711	54.7
495.28760	2.0
496.22809	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.5
69.03416	0.9
69.42268	0.8
69.42671	3.7
81.03435	1.6
81.07062	0.7
85.02901	1.0
91.05508	1.1
93.07041	0.7
95.08648	0.7
99.04460	1.3
103.03956	1.0
107.08640	0.9
109.02870	1.1
119.04897	0.9
127.03957	1.4
128.04279	0.7
137.05997	1.5
145.07677	0.7
147.04413	4.3
147.09169	1.7
147.13506	0.6
154.16951	0.6
159.09247	1.8
160.09515	1.1
169.64107	0.6
188.08849	0.6
191.08154	7.6
192.08496	5.8
200.12717	1.0
203.10490	0.7
216.07669	0.9
217.07970	1.0
229.12033	2.4
233.31158	0.6
247.13078	6.9
275.12604	4.0
289.05414	1.2
290.12195	1.1
306.14761	0.7
307.13095	1.1
308.13266	3.9
311.05582	1.4
316.05344	1.2
317.05753	2.1
331.08194	3.3
332.08554	2.6
333.08752	5.3
333.12415	0.9
351.13663	1.3
387.46149	0.7
390.17331	1.4
391.17255	2.6
400.69461	0.7
409.18381	11.9
433.17880	0.7
434.16519	1.1
451.19415	40.1
452.17392	3.6
465.42227	0.6
495.18372	100.0
496.18649	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1842
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
69.03455	0.5
69.24319	1.8
69.24751	3.2
72.42712	0.4
74.98560	0.4
81.07068	1.1
81.74100	0.5
83.99772	0.5
85.02888	0.6
91.05480	1.0
93.07076	0.8
95.08615	0.8
101.48380	0.5
109.10159	0.8
119.08633	0.7
136.65652	0.4
140.14844	0.5
169.72281	0.5
203.10518	0.6
215.10590	0.6
229.12181	0.7
247.13103	6.4
275.12509	4.9
289.13498	0.5
391.17297	1.9
409.18347	14.5
451.19424	41.7
452.19812	1.9
495.18430	100.0
496.18677	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	495.184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38163	0.6
53.03938	2.3
55.05517	7.1
55.54043	0.7
56.96557	1.7
57.03432	4.9
57.07058	0.9
59.04979	0.8
59.35806	0.8
62.79870	0.8
65.03915	1.2
67.05508	12.1
69.03432	3.5
69.07073	5.8
70.69528	2.1
71.04993	3.7
79.05496	13.3
81.03428	6.5
81.07059	13.4
83.04999	4.2
83.08620	3.6
85.02895	4.5
85.06536	2.0
87.04484	0.9
91.05480	11.3
93.07051	13.9
95.04975	8.3
95.08617	11.4
97.02895	2.0
97.06525	3.4
97.10154	3.5
98.97599	1.7
99.04460	1.1
99.08054	0.8
100.11250	2.3
103.05507	0.8
105.07035	7.2
107.04969	10.2
107.08601	8.8
109.02876	1.0
109.06535	17.3
109.10167	4.2
111.04460	2.2
111.08121	1.2
115.05450	1.0
117.07018	1.8
119.04959	0.7
119.08596	5.3
121.02862	1.1
121.06521	6.4
121.10150	8.4
123.04477	1.2
123.08056	5.8
123.11704	1.7
125.09653	3.6
127.03925	1.3
129.06992	2.7
131.08578	6.5
133.06441	0.8
133.10141	4.0
135.08070	5.3
135.11702	2.8
137.05984	3.3
139.11205	2.8
142.07785	1.0
143.08612	0.9
145.06561	0.9
145.10143	3.1
147.08026	2.1
147.11702	2.3
149.06082	0.8
149.09631	3.6
149.13313	1.1
151.03896	1.1
151.07597	1.5
151.11223	1.0
153.01813	1.9
155.08582	1.4
157.10185	1.5
159.08038	1.3
159.11719	1.2
161.09633	2.1
163.11215	2.5
167.07069	5.7
173.13260	1.6
175.11166	1.5
182.15398	0.9
185.11742	1.8
185.13246	0.8
189.09029	1.3
189.11290	0.7
191.10617	0.8
191.14293	4.8
193.12270	4.0
201.12759	1.4
209.11707	0.7
209.19058	0.9
210.14992	0.9
211.13315	2.9
215.14528	0.7
219.13841	11.4
223.13338	1.2
227.12848	1.5
237.14958	1.3
247.12999	5.0
251.16513	0.9
259.15396	8.5
267.15710	1.0
275.12640	1.5
289.13321	0.9
293.17462	8.5
301.23862	1.0
311.05542	1.5
311.23401	1.0
318.90829	0.7
349.21252	1.0
359.09326	1.1
363.08615	1.6
367.22717	2.7
385.23761	2.5
391.08139	0.8
403.24753	2.9
409.18350	9.7
447.07236	2.4
451.19391	44.7
459.27090	1.7
461.08594	1.0
465.11877	3.1
477.11719	6.4
477.28406	5.9
495.13150	4.9
495.18439	100.0
495.28778	4.4
496.18933	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1288
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
50.69080	0.3
53.03932	0.4
55.05495	0.6
57.34277	0.3
67.05469	1.0
68.99786	0.5
70.01616	1.4
73.62201	0.3
74.03596	0.3
74.43803	0.2
78.04704	0.5
79.05453	1.0
81.03384	0.7
81.07036	1.7
83.08588	0.3
90.04600	0.4
91.05479	2.2
92.81567	0.3
93.07011	1.0
95.04966	0.8
95.64046	0.3
102.04636	1.1
103.05479	2.9
105.06989	1.3
107.04966	0.3
107.08601	0.6
108.36102	0.3
115.05459	0.4
117.03388	0.5
117.07011	0.4
118.04149	2.5
119.08500	0.6
121.06463	1.3
121.10070	0.6
123.04394	0.5
125.02316	0.4
130.04176	1.4
131.04930	5.1
131.07553	0.3
132.05728	2.1
133.02800	0.7
133.06406	0.5
135.04379	0.9
140.04684	2.2
145.25615	0.3
146.03629	3.0
147.04398	1.0
147.11694	1.0
147.54340	0.3
148.05157	0.7
149.05988	0.6
151.03877	0.5
153.00717	0.5
153.01839	6.3
153.05432	0.9
154.06163	0.4
155.07115	0.5
159.04439	0.5
160.05183	1.1
161.05919	0.8
162.03076	1.3
163.03880	1.0
166.06259	0.7
167.07033	1.4
176.04672	2.2
177.05463	2.4
178.06250	3.4
191.07039	3.5
192.07863	1.9
192.81659	0.3
201.05399	0.4
203.03403	5.8
213.05457	0.7
227.12416	0.3
229.04970	6.1
241.04875	1.4
242.05739	11.9
253.04912	2.3
257.04446	53.1
258.05234	15.7
259.05750	0.4
267.16074	0.5
269.04486	1.5
270.05316	2.7
271.06015	2.3
283.06189	0.6
285.03958	6.5
286.04724	30.8
287.05505	17.5
297.03940	3.7
299.05530	2.3
300.06271	1.1
304.87875	0.3
311.05521	0.4
323.05453	0.4
323.57379	0.4
327.05075	2.9
341.06577	2.1
359.09204	0.6
375.08798	0.3
387.08594	0.5
388.09616	0.4
402.07025	0.4
403.08087	0.4
416.08765	0.4
419.07535	1.2
421.09448	0.5
433.09378	0.4
445.08905	0.7
447.07208	1.6
461.09009	0.4
462.09534	0.8
465.11905	3.6
477.11792	13.8
495.12869	100.0
496.13171	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
53.86813	0.3
55.05518	2.1
56.96550	0.7
57.03432	0.7
61.02901	0.5
65.03930	0.3
67.05510	3.7
68.99786	0.4
69.03422	0.7
69.07080	1.8
70.33112	0.3
71.04961	0.7
71.55571	0.4
71.73548	0.3
73.02910	0.6
77.41049	0.3
79.05080	0.4
79.05494	4.1
81.03416	1.8
81.07064	3.4
83.04947	1.2
83.08604	1.2
85.02888	1.0
85.06522	0.4
91.05480	3.5
93.06532	0.4
93.07046	3.4
95.04974	2.1
95.08607	2.4
96.48811	0.3
97.02890	0.6
97.06516	0.5
97.10162	0.7
98.97579	0.6
102.04765	0.3
103.05443	1.1
105.07031	1.9
107.04926	1.3
107.08572	1.4
109.06483	0.7
109.10129	1.1
111.04402	0.7
111.08060	0.5
117.07020	0.9
119.04921	0.6
119.08553	1.1
120.79295	0.3
121.02877	0.3
121.06490	1.2
121.10126	1.1
123.04403	0.6
123.08064	0.5
123.11683	0.4
123.37010	0.3
125.09668	0.5
129.06993	0.7
130.04108	0.3
131.04903	0.9
131.08542	1.1
132.05695	0.5
133.06483	0.8
133.10117	0.8
135.04408	0.9
135.11697	1.0
136.05219	0.4
137.09569	0.4
140.04681	1.0
145.02800	0.4
145.06512	0.4
145.10098	0.9
146.03558	0.4
147.04381	0.7
147.08073	0.3
147.11650	1.0
149.06001	0.5
149.09570	0.7
149.13249	0.6
153.01854	3.2
153.05478	2.6
153.09146	0.3
157.10109	0.6
159.04504	0.4
159.11626	0.3
161.05991	0.9
163.11169	0.6
165.05414	0.9
165.12741	0.5
166.06236	0.8
167.07050	0.9
168.07828	2.6
175.11151	0.6
177.05467	0.7
178.06258	0.5
179.06973	0.3
180.07944	0.5
181.12146	0.3
187.03941	0.3
191.07112	0.7
191.10712	0.5
192.07770	0.4
193.12262	1.6
196.07298	0.7
201.05469	0.4
203.03397	9.7
209.11717	0.8
211.13293	1.8
213.05482	0.7
216.04144	0.4
217.05241	0.3
227.12830	0.5
228.13214	0.4
229.04977	8.6
241.04875	1.1
242.05736	2.9
253.05093	0.8
257.04471	100.0
258.05182	5.4
267.09082	0.8
267.15906	0.4
269.04404	0.7
271.06042	1.1
285.03967	5.5
285.10260	0.6
286.04730	8.9
287.05530	10.7
297.03934	6.6
297.07056	0.6
299.05502	0.8
300.06027	0.4
311.05511	1.0
315.04904	0.6
327.05115	0.9
329.21133	0.6
333.20352	0.9
341.06693	0.8
359.09204	0.3
385.23828	0.6
387.08823	0.5
388.09314	0.4
389.06677	0.5
403.08136	0.6
403.24768	0.4
419.07565	0.7
421.09277	0.7
433.09372	0.7
445.09241	1.4
447.06674	0.4
449.08722	0.7
461.08670	0.6
465.11929	4.5
477.11713	2.0
477.28607	0.9
495.12915	99.5
495.28668	2.6
496.13348	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	494.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72113	2.9
55.01876	3.1
55.05516	7.2
56.63369	2.6
67.05506	9.8
69.03435	13.1
69.07072	5.8
69.24097	2.7
69.40228	21.6
71.04990	3.8
73.02928	2.6
79.05501	4.4
80.28857	2.5
81.03427	8.2
81.07070	7.0
83.08617	4.8
85.02910	24.4
85.06576	6.0
86.09721	2.6
87.00828	12.0
91.05511	5.1
93.07044	11.2
95.04989	10.7
95.08617	19.7
97.02892	9.3
99.04469	8.7
99.08105	89.5
101.06019	5.2
105.01874	8.0
105.07052	6.1
106.00438	2.6
107.08602	13.7
108.82502	2.6
109.02885	11.4
109.10166	28.2
111.08159	2.7
111.96456	2.5
119.08585	6.9
121.10146	8.3
123.11699	5.9
125.09645	5.8
127.03944	20.8
133.10141	12.6
134.10530	2.5
135.11713	14.2
137.06047	5.8
137.09610	9.3
143.24692	2.3
145.04962	5.8
149.13187	2.7
151.07468	2.5
151.14870	3.7
153.12753	5.2
155.10669	15.5
159.02962	6.6
163.11200	3.4
164.89027	2.3
175.14807	9.1
191.08237	3.2
193.15878	42.9
211.16945	100.0
242.94742	2.7
316.05270	3.0
332.08539	11.6
459.22330	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	494.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
53.07130	1.5
55.01876	2.3
55.05522	8.6
55.34118	1.5
56.08952	1.9
56.45046	1.8
57.03437	12.9
57.07069	2.1
60.04530	2.6
61.02908	2.3
65.03938	1.7
67.05505	12.1
69.03433	5.5
69.07078	18.5
69.42250	6.2
69.42680	8.9
71.01393	1.6
71.04998	84.3
73.02910	4.3
75.04488	4.1
79.05495	12.7
80.05813	2.6
81.03428	7.3
81.07059	18.7
82.07388	3.1
83.04996	17.9
83.08620	3.9
85.02911	100.0
87.04474	2.5
91.05482	8.7
93.07034	10.6
95.04977	6.9
95.08607	9.3
95.22287	1.9
97.02914	8.1
97.10192	5.0
98.20787	3.9
98.97645	4.0
99.04446	2.6
105.07040	5.8
106.07345	2.9
107.04950	3.9
107.08611	7.4
109.06519	6.0
109.10161	4.7
111.04470	9.5
117.07060	2.5
119.08616	3.2
121.02946	2.5
121.06509	2.5
121.10165	5.5
123.04456	2.9
123.08079	2.6
123.11723	8.9
125.09695	1.8
127.03929	4.1
129.05482	45.0
129.06944	2.3
131.08603	3.7
133.10152	4.8
135.11722	3.3
143.08566	2.1
145.05009	3.8
145.10135	4.5
147.06534	18.1
147.08208	2.0
149.09689	3.0
151.11177	20.0
163.11169	3.1
165.09203	2.8
167.06987	2.8
192.11044	1.9
201.12701	1.8
210.12102	2.7
211.13193	2.4
211.15155	2.3
219.13858	3.8
255.08612	2.2
259.15445	3.0
279.78290	1.7
293.17529	2.9
297.17078	10.7
311.05627	4.1
402.23663	3.2
465.11969	4.1
476.27231	5.8
477.11963	7.3
494.28210	9.2
495.12772	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	493.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01880	2.3
55.05504	1.3
65.03948	1.5
67.05507	3.2
68.37523	0.8
68.99786	1.4
69.03436	1.2
69.07083	1.6
69.77070	4.6
77.03927	2.1
79.05494	4.5
81.03426	4.3
81.07060	4.5
83.01348	4.0
89.02045	0.8
91.05489	5.8
93.03432	4.4
93.07046	5.2
95.04961	1.0
95.08632	2.1
105.03397	1.7
105.07033	3.9
107.04977	3.5
107.08610	5.4
109.02889	7.3
109.06540	3.2
109.10168	1.1
115.05476	2.1
117.07006	7.7
119.04986	1.4
119.08624	1.6
121.02892	1.9
121.06513	2.8
127.40086	0.8
129.07002	1.3
131.01311	1.0
131.08609	1.3
133.02872	1.7
133.06483	5.1
135.08063	50.2
135.59323	0.9
145.06502	3.5
147.04431	6.8
147.08057	1.8
149.02339	17.3
159.04500	2.0
161.02400	4.5
161.05998	2.4
163.07568	2.6
165.01842	1.2
167.03423	20.8
169.01425	1.1
171.26593	0.9
175.07565	3.1
177.01846	6.8
177.57056	0.8
179.03468	1.2
181.01398	2.3
185.06050	1.9
189.01845	41.4
189.05476	20.9
189.12741	4.8
191.03442	2.4
195.02907	16.1
199.02357	2.6
203.03447	1.6
203.07050	1.8
207.02917	21.3
207.06526	2.7
213.05524	4.9
213.09151	1.6
216.04356	1.0
221.08139	1.2
224.14154	0.9
231.06535	100.0
232.06837	1.4
233.08099	16.1
235.06024	1.8
235.29401	0.9
249.07616	76.4
251.09122	3.1
257.08133	3.2
259.09723	3.6
267.08694	1.1
269.08115	8.4
287.12808	11.0
295.72223	0.9
305.13831	1.4
315.16046	1.1
354.58511	0.9
365.14026	4.5
369.13394	1.3
370.71295	1.1
377.17581	1.8
419.18573	60.9
420.18796	1.4
421.20197	1.9
437.19623	2.5
475.24951	3.0
493.25751	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	493.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01178	2.5
53.03934	10.4
55.01873	15.6
55.05266	3.7
55.05512	51.2
57.03441	17.2
59.04999	2.6
59.64474	2.7
61.08188	2.9
65.03929	5.7
67.05507	80.6
69.03416	9.4
69.07066	18.9
71.04989	9.5
71.13203	2.9
79.05499	76.2
81.03423	99.1
81.07061	63.1
83.04991	28.5
83.08627	44.7
85.02905	19.0
85.06550	4.3
91.04974	4.1
91.05485	54.6
93.07049	65.9
95.04970	51.0
95.08615	50.8
97.02887	8.4
97.06524	11.2
97.10152	16.0
99.04478	6.2
103.05452	2.9
105.04500	2.8
105.07031	36.5
107.04953	38.0
107.08603	47.1
109.02857	3.9
109.06534	9.5
109.10157	28.9
111.04470	23.1
111.08087	20.0
113.06037	3.1
115.05451	3.6
117.07024	22.7
119.08582	40.1
121.02869	13.8
121.06525	14.7
121.10146	29.5
123.04429	7.6
123.08118	7.4
123.11758	3.4
125.06032	3.9
125.09608	15.6
128.06219	3.9
129.07010	19.8
131.08580	28.7
133.06534	12.4
133.10127	14.6
135.04430	6.5
135.08075	8.1
135.11708	46.5
137.06004	3.8
137.09610	4.5
141.06917	3.1
142.07848	3.0
143.08586	6.2
145.10138	29.4
147.04372	5.2
147.08051	6.5
147.11697	17.7
149.09613	9.4
153.09128	4.6
153.12769	15.1
155.08603	4.2
157.10129	20.2
159.08173	3.0
163.11189	63.9
165.12900	3.7
167.08521	3.8
173.09688	5.5
173.11823	3.5
174.84114	2.8
175.11182	20.7
181.12262	22.1
183.11703	6.1
185.13217	2.7
189.11235	8.2
191.10670	11.7
193.12245	54.7
205.04594	3.0
209.11726	16.9
211.11336	5.6
211.13293	53.0
211.15266	3.6
213.12798	2.7
219.13754	6.9
223.13391	2.9
227.12794	100.0
229.14357	6.1
247.13304	27.8
249.14828	16.4
267.15909	27.1
283.15424	18.4
321.16959	4.2
337.21497	5.0
355.22568	4.6
357.38849	2.7
373.24213	4.9
383.22162	12.1
401.23154	15.3
475.26889	41.1
493.27954	99.7
494.28339	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	493.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21793	2.4
54.64857	2.4
55.01878	3.4
55.05492	3.3
57.19635	2.4
67.01900	2.7
67.05506	6.5
68.99805	8.3
69.07066	10.4
71.55263	3.5
79.01870	2.6
79.05508	6.1
81.03415	4.0
81.07056	7.3
83.01350	37.0
83.08627	3.7
91.05495	5.6
93.07060	4.9
95.08621	5.5
103.05457	3.3
105.07052	4.8
107.08602	3.6
109.10202	3.4
116.18272	2.8
117.06986	2.8
119.08630	3.9
121.06499	3.8
123.00824	2.4
123.11710	5.5
131.08563	3.6
133.06490	17.1
147.04414	5.0
149.02324	4.8
151.07552	3.3
153.01836	7.3
161.06013	5.1
165.01863	5.0
169.01347	3.9
172.95296	3.7
179.03386	5.5
181.01332	85.3
183.02946	10.4
189.12784	9.9
193.01392	5.1
195.08267	2.6
199.02397	100.0
207.02930	7.9
209.04483	11.6
213.09111	4.4
215.10815	6.3
235.03751	5.5
235.06041	78.1
237.07619	4.9
313.07092	3.0
369.13391	65.5
425.19672	10.5
433.17279	12.0
437.19409	8.0
451.18042	3.4
493.26080	8.0
493.32941	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	493.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.9
55.01869	3.5
55.05507	6.0
55.52382	2.1
57.03426	2.5
61.82430	1.7
67.01871	6.2
67.05508	5.5
68.99784	9.9
69.07078	12.5
70.86132	4.4
70.86473	2.2
71.46911	2.0
79.01850	3.3
79.05490	6.3
81.03408	3.6
81.06651	1.9
81.07041	11.6
83.01350	44.1
83.08631	3.6
91.05482	6.4
93.07054	4.3
94.29412	1.8
95.04955	2.5
95.08608	6.7
97.02860	2.6
97.10197	3.3
105.07031	10.1
107.01350	2.3
107.08609	4.3
109.06504	4.0
109.10165	4.5
115.05412	2.4
117.06994	2.5
119.04972	2.3
119.08591	4.5
121.06519	4.9
121.10175	2.0
122.39332	1.9
123.11715	5.0
125.02330	2.6
129.06995	2.3
131.08543	2.5
133.06496	29.1
135.00766	2.3
135.08081	3.5
137.06070	3.0
145.10129	2.6
147.04431	2.2
149.02391	3.3
151.07596	2.6
153.01869	11.3
155.03461	1.9
157.10167	2.1
159.04405	2.9
161.05946	3.9
165.01857	5.3
167.03447	3.3
169.01344	3.4
175.11150	3.6
179.03427	4.4
181.01326	100.0
182.01707	1.9
183.02896	14.5
189.05469	6.5
189.12772	15.2
193.01340	7.9
193.04965	3.8
193.12228	2.8
195.02811	3.4
199.02385	94.4
201.12836	2.6
207.02879	8.0
209.04482	12.2
213.09087	2.6
215.10660	7.7
217.14325	3.5
219.06483	2.8
231.06566	2.3
235.06036	98.5
237.07535	7.7
257.19180	2.0
263.09232	2.5
315.08575	3.0
359.10635	4.2
359.91232	2.4
369.13333	64.0
381.13559	2.8
395.18652	2.8
405.21887	2.7
419.18591	2.6
424.68927	2.3
425.19629	11.6
425.46289	1.9
437.19815	18.1
451.99582	1.9
493.25821	9.0
493.32257	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	493.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96402	2.4
61.00593	2.8
67.01875	3.4
68.99800	5.9
69.07079	10.1
69.40180	17.8
78.73466	2.5
79.01853	3.2
79.77404	2.5
80.04842	2.7
83.01357	26.7
126.75267	3.0
131.04926	4.4
133.06512	13.8
151.07578	2.9
152.24030	2.8
153.01805	5.2
156.35016	2.4
159.04434	4.5
181.01334	100.0
183.02972	7.1
189.12775	10.4
199.02400	61.1
207.02975	4.9
209.04459	14.1
213.09166	2.9
215.10715	5.6
231.07381	2.7
235.06055	34.9
313.07062	2.8
342.32028	2.4
369.13354	66.8
419.45096	2.9
423.06604	2.8
425.19470	4.9
437.19635	7.0
507.63678	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	493.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	8.4
57.03448	12.5
69.82956	40.1
85.02905	20.0
96.41758	8.7
98.21423	9.7
121.02871	24.2
129.39020	7.7
136.49300	7.7
144.97710	9.6
145.06561	9.0
147.04442	15.4
151.03963	8.6
163.03853	11.8
173.06073	8.4
175.03951	36.6
177.05435	19.1
181.04945	23.1
185.05988	20.7
187.03918	22.5
189.05542	15.5
193.04947	43.8
201.05437	32.6
203.03479	12.4
203.06979	11.8
205.04999	54.0
207.06651	9.9
211.04028	9.7
211.06041	13.1
213.05527	23.7
215.06987	9.4
217.04955	54.2
219.02943	11.1
219.06590	20.5
221.04460	21.7
223.05952	50.2
229.04980	19.9
231.06566	34.8
235.06052	54.2
241.04912	20.6
243.06491	13.0
245.08269	8.6
247.06052	98.7
253.04951	14.8
255.06580	14.9
259.06015	97.5
271.06024	47.7
273.07648	18.0
277.07111	64.6
283.05981	28.9
285.07596	17.2
289.07092	100.0
297.07596	16.8
301.07040	71.1
307.08118	29.8
313.07010	70.1
319.08194	24.6
325.06598	28.6
325.09250	60.7
337.09097	32.0
343.08185	40.9
352.06668	9.5
355.08206	30.3
355.10901	7.8
361.09186	31.9
367.08008	11.6
373.08978	39.8
379.10367	17.3
385.09058	18.4
391.10413	47.1
403.10156	24.2
421.11273	22.2
430.62704	8.8
439.12347	19.7
483.18317	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	493.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.01866	2.6
55.34773	1.0
57.07055	3.6
67.05497	3.6
69.07054	5.4
71.55084	1.4
73.06548	2.0
79.05497	2.7
81.03424	10.9
81.07046	4.4
83.01294	1.3
85.06529	3.4
90.43151	1.1
91.05470	2.4
93.03381	2.4
93.07050	3.0
95.05000	1.5
95.08640	2.6
99.08091	2.0
105.07018	4.1
107.08616	3.1
108.54538	1.1
109.02888	31.7
109.06500	3.0
109.10191	1.6
114.71755	1.2
117.07011	2.6
117.45123	1.2
118.92510	1.1
121.02911	2.4
121.10017	1.3
125.06921	1.3
127.07542	5.0
131.04974	1.3
131.08566	2.0
133.06506	18.9
135.08063	26.7
138.04257	1.2
145.06473	1.5
147.08035	3.1
149.02328	2.7
159.04405	3.1
159.08177	1.6
163.07553	2.2
165.01837	10.7
167.03427	3.4
173.09482	1.7
175.11179	3.4
177.01839	43.1
177.05394	1.8
179.03415	9.4
181.01314	2.1
183.02855	4.8
187.11133	2.2
189.01837	16.4
189.05460	8.1
189.12743	18.4
191.03426	2.7
191.31947	1.3
195.02908	93.2
197.04482	2.7
199.02312	1.3
203.03407	4.2
203.07068	1.5
207.02847	6.2
207.06512	2.5
231.06544	41.2
233.08087	50.3
246.84271	1.3
249.07602	100.0
251.09183	18.5
259.09540	1.9
262.07248	1.2
267.08673	18.0
287.12830	1.8
305.13651	5.0
309.07455	2.2
363.12408	1.8
365.13858	37.7
381.13657	1.4
405.15555	1.3
419.18323	6.4
421.20132	32.8
437.19601	50.1
438.19748	1.6
475.24435	2.1
493.25601	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	493.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
55.05496	0.3
56.13223	0.3
56.96547	0.3
57.00855	0.3
57.02568	0.3
67.05501	0.6
69.03415	0.8
70.69948	0.9
75.57515	0.3
79.05476	0.7
81.03416	0.3
81.07053	0.6
85.02893	0.5
86.09653	0.4
91.05478	2.0
94.04184	0.8
95.04953	0.5
95.08562	0.5
97.02863	0.4
97.47817	0.3
99.04466	0.3
103.05458	0.9
105.07038	0.7
107.04901	0.3
109.06510	0.4
109.10153	0.4
112.17010	0.4
112.71536	0.3
119.04916	1.0
121.06433	0.4
122.03653	1.6
123.04423	0.4
131.04915	1.0
133.10129	0.4
135.08029	0.6
137.05991	15.7
145.06491	0.4
147.04454	0.8
149.05977	0.9
151.07552	3.4
153.01810	0.4
159.09210	0.4
161.05945	0.7
163.07536	2.4
165.06944	0.3
167.07109	0.4
167.08534	0.7
169.88417	0.3
174.06750	0.5
175.07584	0.9
178.02579	0.5
189.09134	0.9
191.08226	1.1
193.06531	0.5
195.08043	1.1
203.10568	0.4
221.06050	0.5
223.07443	0.4
227.10670	1.0
228.94951	0.3
235.07887	0.4
237.02773	0.3
242.05719	2.5
253.08678	0.6
255.10229	1.2
258.05286	1.5
270.05234	11.3
271.06058	0.4
273.03915	0.7
276.38431	0.3
285.11264	1.1
286.04639	0.8
287.05560	5.0
287.12830	3.0
289.07504	0.4
298.04892	0.8
299.05435	0.6
300.72620	0.4
301.03500	2.1
302.04260	2.9
307.12973	0.8
309.78491	0.4
313.03537	1.5
313.14386	0.6
315.05014	43.7
316.05777	11.8
328.59369	0.4
331.08148	100.0
332.08597	1.2
387.63708	0.4
451.16953	0.4
493.12897	0.5
493.24341	1.1
494.18011	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1347
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
67.05489	0.2
71.55235	0.3
72.08102	0.3
75.92651	0.2
79.05467	0.3
81.07001	0.6
85.02872	0.6
85.96716	0.2
86.09656	0.4
91.05434	0.5
95.08562	0.3
119.04852	0.4
121.10059	0.2
133.10069	0.3
135.11732	0.3
137.02397	0.2
137.05988	1.2
153.01797	0.6
158.35104	0.3
167.07019	0.3
178.02666	0.4
191.08142	0.3
210.15610	0.3
217.10181	0.3
223.96536	0.3
242.05786	1.5
245.04344	0.5
258.05267	2.0
265.09848	0.3
270.05258	7.6
271.06082	0.3
273.03915	1.8
286.04727	0.9
287.05490	3.8
299.05539	0.5
301.03433	2.3
302.04297	2.1
307.46945	0.3
313.03433	0.9
315.05008	32.9
316.05753	6.0
331.08148	100.0
332.08530	2.0
352.55499	0.3
353.11316	0.7
409.09204	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60168	0.5
50.69424	0.5
53.03928	0.6
55.01843	1.6
55.05513	4.8
57.03415	1.4
67.05514	7.4
69.03416	0.8
69.07042	1.6
71.04983	1.3
79.05502	7.6
81.03436	5.1
81.07068	6.5
82.63208	0.6
83.04943	1.7
83.08616	2.8
85.02882	1.4
85.06557	0.7
91.05488	5.5
93.07050	4.6
95.04990	4.0
95.08626	3.4
97.02882	1.2
97.06508	0.9
97.10203	2.6
98.20791	2.6
98.21507	1.9
99.04445	0.6
105.07037	4.3
107.04929	2.5
107.08602	3.4
109.02890	0.9
109.06499	1.6
109.10155	3.1
111.04429	1.6
111.08084	0.9
114.83297	0.6
117.06973	1.5
119.04929	0.8
119.08553	2.5
121.02851	1.0
121.06477	1.6
121.10143	2.8
123.04388	1.1
123.08114	0.7
123.11711	1.2
123.38393	0.6
125.09625	2.2
129.06979	1.9
131.08543	2.3
133.06528	0.8
133.10132	2.6
135.04428	0.7
135.08032	1.1
135.11679	1.0
137.05925	1.4
137.09590	0.8
145.06421	1.0
145.10127	1.1
147.04358	1.2
147.08026	1.2
147.11676	0.9
149.09599	1.2
151.07535	0.8
157.10081	1.1
159.11668	1.4
161.09584	0.8
163.11162	1.7
165.09122	2.7
167.03201	1.2
169.10031	0.8
171.00554	4.1
171.10161	0.6
171.11610	1.1
173.09737	0.6
175.11166	1.5
181.12190	0.6
189.11264	1.4
191.10591	1.0
193.12254	1.8
209.11748	3.8
211.13219	1.4
219.13901	0.7
227.05315	1.1
227.12755	2.5
229.14377	0.7
231.13744	0.9
235.13339	1.2
244.64822	0.6
245.07874	100.0
247.13371	0.9
249.14876	0.9
265.14377	0.8
267.16016	1.2
271.04279	21.0
283.05991	1.0
283.15424	0.9
286.10608	0.6
337.21674	0.6
355.22797	1.3
373.23581	0.8
383.22318	2.1
401.23291	2.5
407.13336	0.8
419.24332	1.1
449.14334	7.7
475.26849	4.0
493.13217	27.0
493.28009	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	492.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88457	2.8
53.03949	3.0
55.05509	7.7
57.03439	5.5
67.05496	4.3
69.03430	12.9
69.07057	3.7
71.05008	3.8
71.21970	5.4
71.22289	2.9
72.46587	3.1
79.05505	6.2
81.03417	9.5
81.07066	16.4
83.04971	4.2
83.08615	7.8
85.02915	31.4
85.06550	6.3
85.10141	2.9
86.09669	2.8
87.00846	18.0
87.04500	3.3
91.05499	12.0
93.07072	13.9
95.04981	16.5
95.08614	10.5
97.02905	10.8
97.06537	15.1
99.04489	5.6
105.01878	15.4
105.07047	26.0
107.04996	4.8
107.08598	17.7
109.02867	6.8
109.06542	30.7
109.10155	12.7
111.08060	5.6
115.07620	4.1
119.08579	20.7
120.08112	2.8
121.10150	26.3
123.08098	9.9
123.11683	6.2
127.03888	13.7
127.07540	2.9
129.07057	3.5
131.08588	15.4
133.09125	3.9
133.10143	82.5
135.08073	10.0
135.11662	5.7
137.06039	7.0
139.11185	4.5
143.89795	2.7
145.05000	4.3
145.10144	7.2
147.11711	33.6
149.13312	6.0
151.07521	3.6
151.11200	6.8
153.09106	15.7
158.11032	4.1
163.11195	4.1
163.14853	6.4
165.09193	4.2
165.12758	10.8
171.10292	3.1
173.13271	43.4
179.10706	8.1
191.14320	67.9
195.68462	2.9
203.03511	3.2
207.08432	4.1
207.10226	8.2
209.15382	100.0
227.16451	86.2
231.04938	3.5
281.13925	10.8
295.06006	3.4
316.05869	4.1
331.08167	16.3
349.07040	5.4
373.37109	2.8
409.09207	9.7
424.17389	2.9
492.30313	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	492.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90749	1.7
52.19807	1.7
53.03944	4.6
55.01867	4.6
55.05509	9.6
57.03444	4.1
59.05012	2.2
60.04541	9.5
61.02936	3.1
67.05495	6.7
68.95558	1.7
69.03440	15.3
69.07080	6.7
70.06590	2.4
71.04994	7.4
72.04507	1.7
72.08156	1.8
73.02907	2.9
73.32707	1.5
74.09731	4.6
79.05504	8.2
81.03431	11.5
81.07066	18.6
83.04998	4.7
83.08616	9.6
85.02914	38.0
85.06560	5.3
87.00839	12.9
87.03230	1.8
89.66579	1.7
91.05490	12.0
93.07049	18.0
95.04984	19.1
95.08621	12.1
97.02921	10.2
97.06543	16.5
99.04467	9.5
99.08121	4.0
105.01866	17.3
105.07046	26.1
107.04980	2.7
107.08611	21.2
109.02897	8.4
109.06522	40.2
109.10165	14.4
111.08091	3.7
115.07574	5.1
117.07021	3.1
119.08585	19.6
120.08092	1.8
121.10157	27.9
123.08092	11.7
123.11730	4.9
125.09624	4.5
127.03931	15.8
131.08585	16.1
133.10147	88.3
135.08110	8.3
135.11650	8.1
137.05998	5.5
137.09628	4.2
139.11223	4.1
143.08621	2.8
145.04897	4.0
145.10138	7.5
147.08118	1.9
147.11708	37.2
149.09634	2.5
149.13292	6.2
151.07585	2.7
151.11166	5.3
153.09131	17.4
158.10933	4.3
161.09608	3.9
163.11230	4.8
163.14845	4.9
165.12787	8.1
167.14308	2.4
171.10191	3.3
173.13287	50.5
175.14775	2.1
179.10677	3.5
191.14317	72.1
207.10173	5.7
207.91013	1.6
209.15385	100.0
210.15657	4.0
225.15062	2.9
227.16434	87.9
231.04919	2.8
245.04494	3.4
273.03922	4.0
281.13745	9.2
298.04803	2.0
299.14832	2.0
301.03525	3.5
312.25293	1.9
315.04980	3.5
316.05869	18.0
330.26382	6.8
331.08148	48.8
409.09088	3.0
439.19308	3.5
492.30920	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	492.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.2
58.99574	1.6
59.48433	1.1
60.02106	1.3
67.05508	2.0
69.03438	38.4
69.07057	2.8
71.04991	1.8
71.06242	2.5
76.02213	4.3
79.05496	1.8
81.03410	2.4
81.07050	4.0
83.04972	2.7
84.87244	1.3
85.02914	8.9
85.06535	3.7
91.05457	3.1
93.07034	4.9
95.08591	7.7
97.02848	2.6
97.06531	2.9
105.00101	2.0
105.07020	4.2
107.08599	12.2
109.06517	5.7
109.10133	2.6
111.08083	3.6
119.04874	1.5
119.08575	3.4
121.06509	2.2
121.10155	13.7
122.01871	1.9
122.02740	25.5
123.08098	2.9
123.11710	7.4
125.09637	20.2
131.08597	6.9
133.10147	4.4
135.08069	9.5
135.11699	5.3
143.08560	1.6
145.10132	2.9
147.04401	5.3
147.11656	3.2
149.09657	9.3
149.13277	3.4
151.11223	1.8
153.09105	5.8
158.10880	4.3
163.11189	1.9
163.14799	5.2
165.12791	2.9
167.10658	2.1
173.13292	21.2
186.99989	1.3
191.14326	73.6
197.10130	1.2
209.15382	100.0
210.15724	1.8
223.11559	3.0
241.12636	4.8
330.17325	8.4
481.05600	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.3
57.03441	1.4
65.14806	0.9
67.05510	2.0
69.03418	4.3
71.04995	23.2
71.55305	1.7
73.02919	1.1
79.05481	3.4
81.07072	2.5
85.02909	5.5
86.09707	1.4
86.14278	1.0
87.54730	1.0
91.05479	8.3
92.03058	1.4
93.07035	5.4
94.07390	1.1
95.04984	1.5
95.08617	3.2
97.02907	1.5
98.97595	1.4
99.04459	59.4
103.05514	1.2
105.07037	64.6
107.04979	2.3
107.08600	4.0
109.06561	2.0
115.03880	1.2
119.04953	2.6
119.08591	3.6
121.06526	8.3
123.04406	1.7
123.08061	6.3
123.11729	1.8
127.03900	1.4
128.06244	1.5
131.08569	1.6
133.06503	7.4
133.10135	42.9
135.11697	1.9
137.05981	2.6
143.08571	3.7
145.06555	1.3
145.10175	2.8
146.07265	4.0
147.04459	2.4
151.03886	3.6
151.07547	4.2
161.09627	100.0
162.09955	1.7
163.11195	18.9
177.05464	1.4
179.10681	42.1
189.09143	13.8
207.10187	19.6
209.15558	1.3
219.10240	5.1
225.11186	5.1
281.13861	8.5
299.14923	3.2
331.08221	4.3
371.14935	1.6
383.13248	1.7
474.16522	1.5
475.11703	1.4
492.17618	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	492.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.7
57.03437	0.9
58.99542	0.8
60.40276	0.8
61.02934	1.3
67.04258	5.8
69.03440	3.5
70.06593	2.1
71.54858	1.4
73.02956	1.1
74.00663	1.5
84.04487	1.5
85.02900	2.8
86.00685	2.0
90.05568	11.1
91.05498	1.0
97.02881	2.0
98.06068	1.0
100.02208	100.0
114.05562	1.3
116.07122	0.9
119.04953	1.5
120.07992	0.9
121.10193	1.0
126.05523	2.5
127.03904	1.1
128.01701	0.9
129.04832	1.7
137.02371	1.0
138.05571	1.2
145.04332	1.4
146.02765	5.6
147.04422	4.5
154.03224	7.7
157.04306	8.5
163.03868	0.9
163.85547	0.8
170.02679	2.1
171.05931	1.8
172.04262	1.9
177.05562	2.1
182.02719	3.7
189.06926	1.8
191.14323	2.0
196.81746	1.0
199.05363	28.5
209.15393	3.3
211.62457	0.9
213.06947	12.8
217.06433	88.3
218.06638	0.9
219.03003	1.0
311.05179	2.0
324.05826	2.4
330.11182	20.0
342.06909	1.5
354.06952	5.0
372.07895	1.4
372.12366	1.1
375.12302	4.4
396.08032	1.1
408.08273	1.2
438.08777	1.4
471.18106	1.0
474.10471	1.6
492.10504	1.8
492.16644	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	491.3008
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
51.02374	5.0
53.03938	10.7
55.01871	5.9
55.05511	44.6
56.96557	5.2
57.03431	15.5
67.05511	61.2
69.03424	5.3
69.07059	19.0
69.53496	10.5
69.53894	23.0
71.04999	9.3
79.05499	67.2
81.03422	58.1
81.07061	77.8
83.04972	11.6
83.08614	28.5
91.04912	6.1
91.05483	100.0
93.07043	56.7
95.04973	32.4
95.08611	37.9
97.10165	20.5
105.07038	59.0
107.04953	11.6
107.08584	24.8
109.06531	5.2
109.10167	15.2
111.08118	11.5
115.05434	5.7
117.07026	31.3
119.08588	30.7
121.06488	9.7
121.10137	10.1
123.08074	6.9
123.11715	15.9
125.09610	17.1
129.07045	25.7
131.08601	25.5
133.06554	8.3
133.10124	17.5
133.91255	5.0
135.08052	5.9
141.06909	4.8
143.08563	20.5
145.06477	10.9
145.10138	16.5
147.08092	7.9
147.11668	27.0
155.08514	7.8
157.10170	15.6
159.63104	4.9
161.13216	6.0
171.08057	6.4
171.11679	14.6
181.09988	5.2
183.11772	6.2
187.13254	8.7
189.11172	9.5
189.12738	6.5
193.12215	22.0
207.13852	14.0
227.12846	12.6
243.16078	6.9
249.14888	15.8
267.15967	30.2
272.62009	5.0
281.17566	32.1
305.17599	9.6
363.23254	9.4
381.24344	6.9
399.25272	13.6
455.28131	5.8
473.28928	79.7
491.30243	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	491.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.01856	1.8
55.05499	6.3
57.07062	2.3
67.05515	26.1
67.05846	3.6
69.07076	13.3
71.55900	2.0
79.05485	7.2
81.03407	6.5
81.07059	17.0
83.08609	2.9
85.94881	1.7
87.36266	1.7
91.05460	7.3
92.17679	2.0
93.07024	6.4
95.08623	12.9
97.06544	1.7
98.98456	2.5
100.76350	2.0
105.07031	5.1
107.08572	7.4
109.02900	22.3
109.03606	3.0
109.06528	3.3
109.10164	16.1
117.07015	2.7
119.08583	4.8
121.06495	6.6
121.10168	3.2
123.11716	3.1
133.06499	5.5
133.10115	3.7
135.08061	28.4
135.11688	2.5
137.13200	1.7
139.17448	2.1
145.10132	3.4
146.39299	1.8
151.07567	6.0
161.05995	14.2
165.01852	5.6
173.11792	2.9
177.01837	37.3
183.02968	2.6
189.01857	2.1
191.03389	2.3
193.12413	2.0
195.02914	100.0
203.03287	2.3
231.06505	6.3
233.08076	33.7
251.09195	11.8
259.09512	2.6
299.09167	4.6
311.09174	45.8
312.09341	2.4
319.26331	3.8
365.13852	7.6
367.15417	49.5
393.29822	2.3
435.21609	2.3
491.30618	4.3
491.36923	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	491.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01869	1.4
55.05518	9.0
57.03447	2.9
57.07088	0.7
64.35209	0.5
65.03947	1.0
67.05511	12.5
69.07081	7.7
70.79066	1.3
71.04996	1.2
79.05502	7.8
81.03430	3.1
81.07069	15.4
83.04980	1.4
83.08633	6.1
85.06557	0.9
91.05489	15.2
93.07065	7.1
94.32279	0.5
95.04977	2.7
95.08611	10.1
97.06541	1.7
97.10176	4.5
99.08065	0.8
105.07040	5.4
107.04967	0.6
107.08617	4.8
109.06555	1.2
109.10187	4.5
111.08087	1.1
111.11748	1.6
117.07011	1.1
119.04958	20.5
119.08590	4.3
121.06520	0.8
121.10153	3.3
123.04487	0.6
123.08108	0.7
123.11719	1.8
124.20341	0.6
124.39938	0.6
125.09641	0.8
129.07040	1.3
131.08591	1.1
133.10143	2.5
135.08022	0.6
135.11728	3.2
138.01779	0.6
139.11177	1.2
143.08597	0.8
145.10139	1.0
147.04427	100.0
147.11679	3.5
148.04803	0.8
151.71706	0.6
153.12750	0.6
157.10223	0.6
161.13240	1.3
163.11166	0.6
165.05493	14.3
165.12730	0.9
171.11746	1.3
175.14908	0.7
179.14301	0.6
189.12959	0.7
190.77811	0.5
193.12276	1.4
207.13739	1.1
211.13287	1.2
217.19547	2.1
235.20557	2.1
241.18495	0.6
253.60826	0.6
267.15860	1.0
281.17581	1.1
309.24252	2.6
327.25290	14.5
327.31641	0.7
352.26236	0.6
473.29190	3.3
491.30499	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	491.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.8
53.18194	2.4
55.01877	16.8
55.05518	100.0
56.96550	3.2
57.03431	10.4
65.03942	5.1
67.05509	66.1
69.03440	14.8
69.07074	24.5
69.50676	6.1
69.51077	16.4
71.04993	11.4
74.35899	2.4
74.66763	2.8
75.09766	2.5
79.05499	81.4
81.03421	27.0
81.07062	76.4
83.04999	15.2
83.08624	55.5
84.88609	2.3
85.02918	6.1
85.06548	6.1
88.29505	3.2
91.05483	48.5
93.07053	57.0
95.04978	26.2
95.08622	34.4
97.02890	6.6
97.06532	8.3
97.10180	91.3
105.07035	32.0
107.04961	59.0
107.08602	53.9
109.02875	10.4
109.06528	30.3
109.10148	20.2
111.04465	4.3
111.08084	9.1
115.05463	3.7
117.07040	19.2
117.28577	2.5
119.04954	5.6
119.08597	19.5
121.02859	8.4
121.06515	40.2
121.10145	23.3
123.08092	6.4
123.11682	4.4
125.06015	3.1
125.09644	80.6
125.10558	4.5
129.07018	15.0
131.04916	5.3
131.08559	26.4
133.06471	10.0
133.10147	18.5
135.04430	6.3
135.08061	19.2
135.11678	9.4
137.06026	6.1
137.09641	3.5
141.07005	6.9
142.07869	2.4
143.08562	12.8
143.10645	5.3
145.06503	18.6
145.10129	19.8
147.04465	4.7
147.08066	10.7
147.11707	9.4
149.02367	6.1
149.05931	3.5
149.09666	8.2
151.03940	4.9
151.07617	4.3
151.11234	3.1
153.09126	12.1
155.08594	6.7
157.06499	3.8
157.10152	7.8
159.08105	6.3
159.11598	5.9
161.06000	5.1
161.09615	11.2
161.13235	3.0
163.11191	9.1
165.09206	2.9
171.08041	4.8
171.11714	4.9
173.09657	4.9
173.13255	13.8
175.11186	5.6
181.10059	3.4
181.12296	3.5
183.11703	5.4
185.09604	3.1
189.09309	7.0
189.11218	67.4
189.12891	3.6
191.14320	13.3
193.04970	4.6
193.12251	8.8
199.11272	2.7
199.13268	4.3
201.12798	4.2
205.12280	3.8
211.11223	3.6
215.14346	5.2
217.12187	3.0
219.13812	96.7
225.11298	8.0
225.14818	5.2
227.12778	36.3
227.14890	3.4
233.15376	6.4
237.07607	4.9
237.14948	6.2
239.14273	2.6
243.13905	3.1
247.13399	6.1
251.89758	3.2
255.13939	3.1
263.12820	13.4
273.14890	4.6
275.16437	9.7
277.18008	4.7
289.18124	3.4
349.21643	9.1
353.21021	5.1
367.22668	17.8
371.22095	11.8
381.20624	7.9
385.23886	21.7
389.23212	11.3
399.21582	10.8
403.24585	8.1
407.24347	6.5
417.22104	6.2
441.26208	3.1
445.25891	20.9
447.27411	4.2
459.27441	41.8
463.27097	16.5
473.14651	3.1
473.24628	18.5
491.26437	74.2
492.26743	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	491.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	7.0
55.01868	14.5
55.05516	87.6
55.05766	3.0
57.01923	2.5
57.03411	10.0
59.04969	3.9
65.03911	6.9
67.05506	72.7
68.94640	2.4
69.03418	18.9
69.07069	24.8
71.01329	4.7
71.04949	7.4
71.28226	4.3
71.28571	3.2
79.05494	71.7
81.03414	32.6
81.07056	63.2
83.04993	16.3
83.08617	47.6
85.02856	7.2
85.06514	6.6
91.05485	59.9
93.03383	5.7
93.07048	47.0
95.04971	36.6
95.08607	28.0
97.02848	6.9
97.06479	10.5
97.10175	77.8
97.95079	2.6
103.05424	6.0
105.04485	3.5
105.07032	40.0
107.04964	61.2
107.08604	50.1
109.02814	7.5
109.06519	19.0
109.10158	23.2
111.04386	5.0
111.08028	9.0
115.05419	5.4
117.07016	18.7
119.04909	4.0
119.08594	21.8
121.02862	35.9
121.06500	35.2
121.10142	20.8
123.04363	8.5
123.07990	9.6
123.11685	5.8
125.09633	68.6
128.06184	3.8
129.07033	17.4
129.29407	2.4
131.04886	4.8
131.08577	29.4
133.06433	11.0
133.10124	22.7
135.04395	12.9
135.08076	19.0
135.11610	9.5
137.05882	8.5
137.09572	6.2
141.06895	7.0
142.07698	4.6
143.08578	11.9
145.06508	13.1
145.10110	18.8
147.04369	6.1
147.07954	10.2
147.11636	6.2
149.02303	5.6
149.05910	5.4
149.09525	9.4
151.03815	5.4
151.11139	5.7
153.08987	9.8
155.08443	7.6
157.06357	2.7
157.10031	11.2
159.07957	7.0
159.11595	7.1
161.05823	7.1
161.09642	20.8
163.07478	3.4
163.11073	11.0
163.12332	2.8
165.09006	7.1
167.06938	2.9
169.06549	3.3
169.12263	3.0
171.07951	6.0
171.10081	6.6
171.11618	6.0
173.05888	4.1
173.09514	5.3
173.13219	12.2
175.03751	2.7
175.11108	7.0
177.12581	3.3
181.10043	3.6
183.11588	6.7
185.09496	3.9
185.13124	3.0
187.11076	4.9
189.09067	8.3
189.11096	41.9
189.12724	3.1
191.10666	3.8
191.14160	9.2
193.08386	3.1
193.12291	17.5
199.11131	3.3
201.12610	9.4
203.10648	11.9
205.08377	3.2
205.12154	4.2
207.10077	3.4
209.11571	4.3
211.11121	3.9
213.12491	3.0
217.12073	3.2
219.13797	66.2
221.11493	3.8
225.11026	5.2
227.12762	54.2
229.12065	8.8
237.12456	3.0
237.14714	3.3
245.11667	3.1
247.13295	47.9
249.14667	4.4
263.12607	11.2
265.14264	5.6
273.14642	4.4
275.16205	6.7
277.17950	2.6
349.21555	3.9
353.20828	9.0
367.22586	6.0
371.21738	8.2
373.23669	4.9
381.20303	10.3
385.23343	6.6
389.23279	12.7
396.87915	2.5
399.21524	16.8
403.24365	3.6
417.22195	8.5
445.25696	14.6
447.26773	3.4
459.27408	15.3
463.26425	11.7
473.24887	23.7
491.25879	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.01867	5.2
55.05504	6.3
57.03440	3.6
57.07074	8.4
59.95811	2.2
65.03947	3.0
66.42154	1.8
67.05510	12.1
68.99805	3.3
69.03439	2.7
69.07072	50.4
70.37946	1.9
77.03968	1.7
79.05499	11.1
81.07063	15.5
83.04989	6.5
83.08617	5.4
91.05484	15.3
93.07048	18.5
95.04974	4.0
95.08617	22.2
97.06538	4.7
98.98469	8.5
103.05482	19.8
105.07049	16.7
107.04940	6.0
107.08604	15.4
109.06512	4.2
109.10151	9.8
115.05468	2.6
117.07018	6.7
118.95498	2.0
119.04953	8.1
119.08593	27.0
121.06523	14.6
121.10170	8.8
122.98381	1.9
123.08092	13.0
123.11685	4.5
128.06244	2.9
129.07004	6.4
131.04927	39.3
131.08539	11.1
133.06503	45.9
133.10135	9.4
135.04449	2.2
135.08041	2.4
135.11694	17.5
137.06000	5.2
137.09621	6.1
141.06975	3.5
142.07724	3.0
143.08577	6.1
145.06554	11.6
145.10094	3.5
147.04437	17.6
147.08037	22.6
147.11694	11.0
149.09601	2.3
149.13252	11.5
151.07568	12.1
153.05402	2.4
155.01073	8.2
155.08659	2.7
156.09349	4.6
157.06494	22.3
157.10121	13.0
159.04420	64.7
159.08061	6.0
160.08911	3.0
161.05988	11.4
161.09595	5.1
161.13281	12.0
163.11205	31.7
165.01839	3.1
165.09131	79.2
165.12755	3.2
169.01344	2.5
169.10101	3.4
171.08122	3.9
171.11642	10.4
173.05995	25.1
173.09685	6.8
173.13313	2.4
174.10522	2.5
175.07594	17.7
175.11191	99.4
176.11546	2.5
177.05472	35.8
177.06877	2.9
177.09071	5.3
179.07054	6.7
179.08560	13.1
182.07256	4.2
187.07590	6.9
187.11247	3.7
188.11987	3.9
189.01886	2.3
189.05423	2.9
189.09166	3.2
189.12750	59.5
191.14325	4.7
193.08629	14.7
197.09618	16.4
199.07574	3.4
199.11211	8.0
201.05528	5.7
203.03339	2.4
205.04932	3.2
207.06497	2.2
207.13806	21.9
211.11162	3.8
215.03552	2.1
215.07057	7.3
215.10684	100.0
217.05008	4.4
217.12250	45.7
219.06560	3.2
221.04373	2.9
225.05519	2.1
227.03377	3.6
227.07024	4.5
229.04904	10.7
229.12210	4.7
229.22514	2.7
233.08191	3.0
235.05925	4.2
235.13292	30.1
241.12314	3.9
242.05902	3.2
243.06580	25.3
247.06020	3.2
256.26358	2.8
257.11761	10.9
259.13345	5.3
260.06882	4.4
261.07544	12.7
265.07062	4.0
267.10184	4.1
269.11731	3.3
275.12814	7.6
279.08673	22.8
285.11221	66.3
289.68976	2.4
297.11191	5.8
303.12289	82.6
309.22183	5.2
311.12738	13.1
321.13400	15.6
328.65134	2.4
337.27383	9.1
377.24765	2.5
389.17538	2.2
399.15851	2.9
405.23959	3.4
417.16916	7.3
423.18298	2.5
430.17703	7.9
435.18326	2.7
445.23660	5.6
447.25027	2.5
449.19519	6.5
455.21896	4.9
463.24588	2.8
473.23203	52.8
491.24319	47.9
491.37158	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	491.2433
Annotation	DORSILURIN F
Peak:m/z	Relative Intensity
55.05506	2.2
57.07067	1.8
64.51792	0.9
67.05523	6.0
68.99782	1.3
69.03409	1.7
69.06720	1.1
69.07072	12.0
71.55415	1.1
79.05488	3.9
81.07062	6.8
83.08598	1.0
91.05485	6.3
93.07048	7.1
95.04935	1.1
95.08607	5.4
97.06509	1.2
98.98472	2.1
103.05485	2.1
105.07033	8.2
107.08589	5.3
109.06514	3.3
109.10182	4.4
111.08024	0.9
117.07023	2.4
119.04974	1.8
119.08591	8.8
121.06489	3.5
121.10149	5.5
121.10915	0.9
123.08059	2.1
123.11717	2.1
129.07002	1.7
129.96480	0.8
131.04950	3.4
131.08540	2.8
133.06488	5.2
133.10112	4.5
135.08066	1.2
135.11700	1.5
137.02376	1.1
142.07753	2.0
143.08548	2.7
144.09436	0.9
145.10165	4.3
147.04424	2.3
147.11668	1.8
151.07515	2.5
155.08513	2.0
156.09348	2.3
157.06509	1.1
157.10199	4.9
159.04425	4.0
159.08028	1.1
159.11696	2.5
161.05937	4.2
165.01862	1.7
165.05464	1.2
167.07002	0.8
167.08504	1.1
167.10677	3.0
168.09328	1.3
169.10139	2.9
171.11684	4.0
173.05968	1.3
173.13292	2.7
175.14809	1.6
177.05470	2.6
179.03423	1.3
179.07036	0.8
179.08501	1.7
181.01353	2.9
181.10138	1.9
181.91560	0.9
182.10916	1.8
183.02853	1.4
183.11754	4.6
185.13170	1.7
187.14833	1.4
189.05501	3.9
189.12712	1.0
191.03384	0.9
191.14278	1.5
193.01361	5.3
193.05009	2.1
194.10777	0.8
195.11676	1.8
196.12367	0.9
197.09695	1.0
197.13249	2.9
199.02333	1.8
199.14882	1.2
203.63516	0.8
207.06520	2.7
207.11758	1.1
209.13298	2.3
211.02373	1.1
211.14790	0.8
215.10655	8.7
217.04976	3.0
219.02937	2.5
221.13362	1.1
221.15312	1.0
223.14813	1.4
233.04379	2.3
235.06020	100.0
236.06293	2.2
237.03989	1.5
240.83931	0.9
251.17972	0.8
253.07059	2.9
257.18982	7.8
261.07553	2.8
265.19543	1.5
283.20462	2.0
303.12259	1.5
319.26282	2.5
321.38480	0.9
367.11740	1.0
393.30157	1.9
423.18015	27.4
424.18439	1.3
473.34207	2.5
491.35541	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	490.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.7
55.01538	3.5
55.01861	5.5
58.66150	4.5
61.99874	4.4
66.93521	3.9
67.05507	7.3
69.03423	22.6
69.07059	4.9
69.41961	32.2
71.04991	5.4
79.05488	7.7
81.03405	18.4
81.07063	23.4
85.02924	40.2
85.06528	7.4
87.00824	14.4
91.05482	11.4
93.07053	6.9
95.04970	7.7
95.08601	12.9
97.02901	13.0
97.06587	7.7
98.20720	7.6
98.97561	7.1
99.04439	11.0
105.01867	14.1
105.07037	18.1
107.08608	46.8
109.02887	10.4
109.06534	34.7
109.10155	7.8
119.08572	14.8
121.10158	23.2
123.08081	45.2
123.11742	12.5
125.09637	5.3
127.03951	25.8
131.08563	10.7
137.05966	8.3
137.13257	8.4
143.57118	4.1
145.04929	6.5
145.10107	7.2
147.11697	29.0
149.09633	40.6
151.07571	39.1
154.62604	3.7
156.09322	8.7
159.02914	8.5
161.13205	6.1
163.11179	9.1
165.12737	34.3
167.10652	13.6
171.11737	8.4
179.14323	16.1
183.13828	7.1
189.12782	36.9
207.13829	100.0
225.14868	34.6
274.71896	4.1
490.22256	15.5
509.50525	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1189
Annotation	6,7-Dihydroxy-3'-methoxy-4',5'-methylenedioxyisoflavone 6-O-glucoside
Peak:m/z	Relative Intensity
51.72219	0.8
53.01786	1.0
56.96565	4.1
65.03957	1.2
70.06586	1.1
70.79259	2.0
70.79626	1.3
81.03374	1.0
81.07027	1.0
85.02917	3.5
91.05473	1.3
93.03403	2.7
97.02901	1.2
98.97593	16.4
103.05530	1.2
103.07603	1.2
103.67304	1.0
106.61072	1.0
107.04961	1.7
109.02897	1.7
110.64178	0.9
116.98618	4.9
119.04972	5.2
119.08608	1.0
121.02885	9.9
121.06486	2.3
127.03854	1.0
134.99672	1.2
137.06071	1.0
145.02879	1.3
147.04431	1.4
158.99681	5.7
159.04416	1.3
161.02423	1.2
165.01842	1.8
177.00575	1.9
177.01920	4.6
179.03398	5.2
189.01869	5.3
191.03232	1.5
195.02873	8.0
199.03854	1.4
203.03372	10.5
207.02905	7.9
217.04942	4.1
221.04420	2.1
227.03403	2.9
231.02699	1.1
239.73157	1.1
241.10979	1.6
243.02890	1.5
243.12856	1.1
255.02919	4.7
268.07391	2.8
269.14386	5.4
273.03912	2.2
279.06522	4.4
283.06058	5.5
287.15305	7.3
293.08185	1.2
294.05203	6.1
295.06030	100.0
296.06653	5.5
297.07559	6.4
305.41440	0.9
307.06012	16.9
308.06702	1.9
309.04233	1.4
309.07547	3.4
311.05768	1.1
311.15445	6.3
320.06717	1.7
321.07657	24.7
322.08313	2.3
323.05328	5.1
325.07059	46.8
326.07465	1.8
329.06528	4.1
329.16385	2.1
331.85120	1.0
333.07501	1.2
335.09164	20.1
339.08359	1.5
341.06561	37.5
345.07571	4.5
349.07047	18.5
350.07965	1.5
353.02209	1.8
353.06580	35.0
354.06918	1.2
361.07098	18.9
363.08606	5.0
365.06906	1.2
367.04123	1.4
367.08081	2.1
368.09839	6.8
371.07681	24.9
372.07788	1.5
373.06949	7.8
377.06534	2.4
379.08234	1.5
381.09982	2.3
391.08118	10.3
395.07626	39.1
407.07480	5.0
409.09283	3.5
419.07590	10.5
425.03201	1.5
425.08685	19.0
433.42700	1.0
437.08743	18.6
438.09286	1.1
449.20462	7.6
455.09772	25.5
473.10892	11.1
491.12100	1.6
491.21072	10.1
491.29221	2.0
513.17572	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
54.92963	1.3
55.01859	5.2
55.05526	6.8
57.03424	3.1
59.05005	1.9
61.02920	2.3
65.03917	1.4
67.05489	4.4
69.03431	12.1
69.07065	3.4
70.06604	7.5
70.74099	3.5
70.74752	1.3
71.04974	6.1
72.21369	1.5
73.02929	1.8
74.70573	1.4
74.96790	1.4
79.05492	5.9
81.03413	8.2
81.07063	8.2
83.04968	4.7
83.08618	9.0
85.02911	26.2
86.09705	3.2
87.00834	8.1
87.04482	6.5
91.05502	7.2
93.07053	6.6
95.04976	21.0
95.08634	7.1
97.02911	11.2
99.04463	12.2
105.01852	5.9
105.07037	6.1
107.08599	48.8
109.02870	5.9
109.06535	7.1
109.10136	5.0
111.04417	2.1
111.08054	2.6
115.03927	2.3
116.07103	1.8
117.01843	2.6
117.07078	1.8
117.83299	1.3
119.08573	6.8
121.06500	2.4
121.10141	10.2
123.04428	2.0
123.08072	100.0
123.11719	7.6
123.41937	1.4
123.42880	1.3
124.08391	1.7
125.06017	2.1
125.09635	33.2
127.03918	11.1
131.08553	4.1
133.06450	1.7
133.10143	2.5
135.08055	2.6
135.11668	2.0
136.08493	1.5
137.06001	1.6
137.09624	3.2
139.07518	1.5
139.11195	3.5
145.04939	3.4
145.10066	2.0
147.08052	3.2
147.11684	3.3
148.04837	1.3
149.09625	41.0
150.09872	1.3
151.03951	1.5
151.07547	6.8
151.11157	1.3
159.02953	2.8
159.08046	2.2
161.13239	2.4
163.07558	2.9
163.11075	2.0
165.09123	6.7
165.12718	6.1
167.07002	1.6
167.10678	13.1
171.46582	1.3
173.09541	2.0
178.94344	1.4
183.13751	2.9
189.09042	1.6
189.12766	9.9
191.07016	1.8
191.10667	5.5
195.13715	2.1
205.12164	1.6
207.13777	16.0
219.13858	1.6
223.13234	3.0
225.14854	75.7
231.10286	1.6
235.13336	6.9
237.14864	7.2
249.14877	24.4
261.14941	3.2
267.15939	3.6
273.15042	2.0
279.15918	2.7
291.15829	7.6
315.15735	3.3
333.16922	2.6
437.18066	8.0
455.18533	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.01864	2.9
55.05505	4.0
57.03433	2.5
60.04509	1.5
61.02914	2.1
62.04771	1.3
64.89091	1.4
67.05508	4.4
69.03434	9.2
69.07066	3.8
69.50034	10.0
71.05010	2.4
71.49386	1.5
73.02903	2.6
73.97670	1.3
79.05484	4.1
81.03426	6.9
81.07070	7.7
83.04980	5.3
85.02914	30.7
85.03413	1.4
85.06519	2.6
87.00811	7.9
91.05484	3.7
93.07038	5.7
95.05006	2.9
95.08613	5.0
97.02906	12.0
97.06531	2.4
99.04471	4.7
105.01883	7.6
105.07040	7.2
107.08605	7.7
109.02888	9.2
109.06529	15.5
109.10188	12.0
111.08084	3.5
117.03380	2.3
119.04979	1.8
119.08594	6.6
121.10164	15.0
123.08070	5.6
123.11690	15.7
127.03923	12.1
131.08594	1.8
133.10120	3.1
135.08095	1.4
137.05992	3.4
137.09625	25.8
145.02850	5.5
145.04956	6.9
145.10220	1.9
147.11700	14.4
149.02383	1.6
149.05994	1.5
149.09656	7.8
151.07614	3.2
151.84015	1.3
159.02908	2.8
161.13284	5.8
163.11188	2.6
165.12761	100.0
171.11717	3.2
174.10397	3.0
177.05495	10.3
179.14282	10.6
189.12804	13.6
207.13811	45.4
213.04117	1.7
225.14847	2.0
231.05017	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	490.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.7
55.01538	3.5
55.01861	5.5
58.66150	4.5
61.99874	4.4
66.93521	3.9
67.05507	7.3
69.03423	22.6
69.07059	4.9
69.41961	32.2
71.04991	5.4
79.05488	7.7
81.03405	18.4
81.07063	23.4
85.02924	40.2
85.06528	7.4
87.00824	14.4
91.05482	11.4
93.07053	6.9
95.04970	7.7
95.08601	12.9
97.02901	13.0
97.06587	7.7
98.20720	7.6
98.97561	7.1
99.04439	11.0
105.01867	14.1
105.07037	18.1
107.08608	46.8
109.02887	10.4
109.06534	34.7
109.10155	7.8
119.08572	14.8
121.10158	23.2
123.08081	45.2
123.11742	12.5
125.09637	5.3
127.03951	25.8
131.08563	10.7
137.05966	8.3
137.13257	8.4
143.57118	4.1
145.04929	6.5
145.10107	7.2
147.11697	29.0
149.09633	40.6
151.07571	39.1
154.62604	3.7
156.09322	8.7
159.02914	8.5
161.13205	6.1
163.11179	9.1
165.12737	34.3
167.10652	13.6
171.11737	8.4
179.14323	16.1
183.13828	7.1
189.12782	36.9
207.13829	100.0
225.14868	34.6
274.71896	4.1
490.22256	15.5
509.50525	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	490.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10147	1.9
67.05493	2.9
69.03438	4.4
69.73152	10.7
70.06563	3.0
72.08143	3.3
81.03439	6.2
81.07064	5.6
84.67483	2.1
85.02905	24.6
86.06062	7.9
86.09720	3.7
87.00816	2.8
91.05509	5.1
93.07037	2.9
95.08645	2.5
96.41115	2.1
97.02875	5.9
98.97572	6.1
99.04453	3.1
105.01858	3.5
105.07030	10.2
107.08611	4.8
109.10221	2.9
119.08581	8.5
121.10130	4.9
123.11726	16.9
127.03904	8.4
131.08609	3.2
133.06514	5.4
133.10092	5.5
135.08084	2.9
145.10153	16.2
147.08044	3.2
147.11699	24.4
149.09560	5.6
151.03993	2.7
156.09348	4.6
171.11731	8.3
174.10469	2.9
189.12776	100.0
197.22443	2.2
207.13818	37.1
225.14896	4.8
227.78050	2.3
257.61502	2.3
259.94193	3.0
267.09329	2.3
275.12598	2.5
279.57480	2.2
327.13132	4.1
328.13123	3.6
391.20657	4.1
420.87140	2.4
425.66772	2.4
430.18240	6.1
490.18634	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
66.89791	2.2
69.03432	4.3
69.47807	14.9
69.48212	5.2
71.05002	2.9
72.88233	2.4
74.87598	2.1
81.03399	4.4
81.07050	2.9
83.04977	2.9
85.02904	10.1
91.05488	5.7
92.31904	2.1
92.92490	2.5
93.07026	2.9
95.08607	3.0
97.02882	4.3
105.07043	15.6
107.08620	10.9
119.08604	12.2
121.10133	10.9
123.08102	2.3
123.11693	3.4
131.08578	9.4
133.10139	4.7
134.12032	2.1
135.08070	17.2
143.08598	6.0
145.10129	6.9
147.08049	13.3
147.11678	12.1
149.09624	8.2
151.07426	2.3
156.09378	11.4
159.11659	2.8
161.13303	2.9
163.11185	2.8
171.11697	31.3
189.12791	23.2
207.13811	100.0
267.25781	2.8
289.69955	2.5
328.13449	5.4
376.08920	2.4
385.53699	2.3
423.15005	2.5
447.84293	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	489.264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38774	0.2
53.03948	0.5
55.01863	1.3
55.05522	1.8
57.03423	0.3
57.07053	0.4
59.04992	0.3
65.03946	0.4
65.29845	0.2
67.05171	0.5
67.05507	5.8
68.99796	1.7
69.03416	0.9
69.07064	1.7
70.13095	0.5
70.13502	0.9
79.01855	0.6
79.05492	2.4
81.03414	1.0
81.07059	3.5
83.04977	0.3
83.08614	0.5
85.06510	0.3
89.27513	0.3
91.05489	1.9
92.99795	0.5
93.07033	2.7
95.04963	0.9
95.08614	3.9
97.02892	0.6
97.10146	0.5
99.00864	0.5
105.07031	1.6
107.04964	0.5
107.08589	1.3
109.02891	0.5
109.10149	2.9
111.52956	0.2
116.06300	0.3
117.07037	0.7
119.08588	1.8
121.02882	1.1
121.06474	0.7
121.10126	0.9
123.00802	0.6
123.08068	2.4
129.07005	0.5
131.08545	0.8
133.10117	1.2
135.04411	1.2
135.08046	0.5
135.11665	0.8
137.02313	1.2
137.09602	0.6
139.00195	0.4
141.01831	1.0
143.08600	0.5
145.01283	0.3
145.06512	0.5
145.10136	1.2
146.98988	0.3
147.08052	0.4
147.11711	0.5
149.02362	0.8
149.13234	0.3
153.01868	1.4
157.10118	0.4
159.11693	0.9
161.13269	0.5
163.03897	2.7
165.01843	69.3
165.09183	0.8
166.02211	0.5
167.03418	0.8
171.11650	0.4
173.11754	0.5
173.13197	0.4
177.01834	1.7
177.09160	0.3
179.03401	2.2
183.02896	33.0
183.11769	0.4
184.03275	0.4
185.13246	0.5
187.14850	0.6
191.03406	6.9
191.07063	0.7
195.02928	1.0
201.12833	0.6
205.04898	0.5
209.08095	0.6
231.06598	1.5
233.08090	100.0
234.08452	1.3
239.18053	0.3
249.07545	0.4
251.09192	1.3
257.18988	0.5
259.09555	0.3
267.06436	0.3
317.24619	0.5
335.12869	0.4
379.29987	0.6
397.31012	1.2
415.32089	0.4
433.20056	1.4
433.32639	0.3
447.25317	1.1
471.34506	1.4
488.89697	0.3
489.26242	2.4
489.35620	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	489.3581
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
51.15061	1.1
53.03951	3.6
55.01873	1.6
55.05515	15.4
57.03441	4.2
57.07081	3.3
59.05007	2.8
65.03948	3.6
67.05513	84.7
69.03421	2.2
69.07078	14.7
69.75161	2.3
69.75555	7.1
71.05005	3.9
79.05061	2.1
79.05505	29.0
81.03445	1.3
81.07064	40.6
83.04996	3.0
83.08625	9.0
85.06572	2.4
91.04984	1.0
91.05490	25.3
93.07054	37.1
95.04980	3.6
95.08611	25.7
97.06563	2.4
97.10188	4.1
105.07038	21.1
107.08604	17.9
109.06548	1.6
109.10168	48.9
111.08124	1.8
117.07027	7.4
119.08597	24.2
121.10159	14.0
123.08071	1.6
125.09686	2.0
129.07036	3.1
131.08588	14.6
133.10143	11.2
135.11734	8.1
137.09657	3.0
139.11148	2.2
141.09131	1.1
143.08578	4.8
145.10129	14.5
147.11713	9.0
149.13269	4.4
155.08565	2.8
155.10699	2.6
157.10161	4.5
158.55972	1.2
159.11688	10.3
161.06104	1.4
161.13300	5.9
165.01874	1.3
169.10143	1.9
171.11711	6.0
173.11769	15.1
173.13313	7.8
175.14871	2.3
183.11765	2.1
185.13297	4.3
187.14838	2.9
195.11694	1.4
197.13161	1.4
199.14848	1.6
201.16371	1.8
211.14877	1.9
213.16510	2.8
227.17859	1.5
241.19498	2.1
261.22171	4.1
271.20599	1.5
273.22006	1.4
285.22272	1.8
287.24164	1.1
317.24811	3.2
377.26993	3.0
379.06055	1.8
379.29956	10.1
391.28604	1.8
397.31128	13.5
415.31995	3.4
471.34784	11.4
489.35837	100.0
490.35880	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	488.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16182	0.2
53.03930	0.5
55.01868	0.5
57.03433	0.3
57.07077	1.4
61.02925	0.2
63.80049	0.2
65.03928	1.2
69.03441	1.4
69.37617	1.3
69.38033	0.4
73.02912	0.4
81.03415	1.8
81.07071	0.3
85.02915	3.2
87.00372	0.2
87.00828	1.4
93.03391	0.4
93.07054	0.3
97.02899	1.5
99.04474	0.6
105.01886	0.5
106.70639	0.2
108.04476	0.4
109.02891	0.9
109.10129	0.3
121.02877	2.8
121.03928	0.5
126.05515	0.2
127.03925	2.0
127.12013	0.2
136.77545	0.2
145.04976	0.6
149.02356	100.0
150.02696	0.8
152.58144	0.2
159.02945	0.7
167.03404	0.8
191.89006	0.2
205.08609	3.8
213.04150	0.3
223.09663	13.3
224.10071	0.2
231.05011	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15659	1.6
56.96571	22.3
62.62878	1.9
64.41684	1.7
69.07064	3.9
70.06609	4.2
71.55608	3.1
72.08161	3.8
80.45641	1.7
81.07066	3.6
84.04517	4.2
85.02918	2.2
86.09711	5.8
91.05492	3.2
92.20242	1.7
97.85552	1.8
98.97594	100.0
99.08099	5.2
100.99172	4.2
101.56935	1.8
105.07024	1.9
107.08619	3.2
108.01995	1.9
109.10162	4.3
110.97565	5.7
116.98632	50.7
119.08605	4.2
121.02882	2.0
121.10198	2.3
128.98630	6.0
133.10158	2.8
134.99687	10.0
140.00195	3.7
146.13496	1.9
151.03929	2.7
158.99672	31.8
163.03937	2.0
170.99721	2.5
177.00720	40.1
189.00900	2.0
193.16063	2.3
200.02415	2.5
219.01779	24.6
219.03696	2.6
237.02779	20.5
241.11040	2.7
247.09746	2.1
249.11652	3.1
265.11163	2.3
267.09180	1.8
267.12677	10.5
275.16013	2.3
279.03888	5.1
283.12155	2.2
285.13736	12.4
295.12280	3.2
295.15417	2.2
309.13708	17.6
327.14761	39.1
327.18268	3.0
330.45212	1.8
334.69397	2.2
350.16507	4.6
369.15833	16.7
382.61200	2.1
393.15796	3.4
411.17093	5.5
429.18015	61.4
447.19086	10.0
450.26059	2.1
489.13519	12.3
489.20062	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	489.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94688	0.8
56.96567	20.8
59.51703	0.8
62.14884	0.8
69.07079	2.0
70.06598	1.4
71.07687	2.1
71.31617	0.9
71.95249	2.2
84.04481	1.1
84.96033	1.2
85.02888	3.0
86.09722	6.9
91.05487	1.1
95.08593	2.0
97.06536	1.1
98.74167	1.0
98.97589	100.0
102.05475	1.1
105.07031	1.3
107.08553	1.3
110.43890	0.9
110.97588	4.4
115.00716	2.5
116.98627	32.8
119.08578	1.4
121.02888	1.2
128.98650	2.6
131.00182	1.1
133.01743	1.1
133.10164	1.5
133.96149	0.8
134.99672	6.3
136.07576	1.3
140.00171	1.5
143.01898	1.6
146.99731	2.0
154.08595	0.9
158.99660	16.7
159.00856	1.2
170.06232	0.9
170.99652	1.4
171.03331	1.6
177.00734	10.8
189.04362	1.3
193.04945	13.5
193.06462	1.3
194.05330	9.1
195.05457	8.1
201.00793	1.0
201.12399	1.5
202.08997	2.1
211.06416	1.3
219.01747	6.2
221.11768	1.0
223.10100	2.9
237.02838	8.1
241.11049	2.4
249.11639	10.7
255.38782	0.9
265.11206	1.4
267.12683	21.3
285.13708	9.1
291.12604	10.5
295.15372	1.7
309.13693	49.4
311.05521	1.5
327.14749	7.4
339.05011	2.0
409.30194	1.0
411.16977	10.7
429.17990	24.1
447.19064	36.4
470.20880	1.6
489.20093	58.2
490.20398	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.3
53.03952	15.1
53.22211	1.3
55.01870	4.2
55.05515	23.4
56.96565	3.9
57.03440	3.0
57.07080	2.3
62.89177	1.3
65.03935	4.6
66.50563	1.3
67.05506	61.2
69.03408	1.8
69.07068	15.4
71.05003	4.2
71.55580	2.3
73.06566	2.3
77.03923	2.3
79.05496	100.0
80.14336	1.2
81.03432	10.5
81.07063	57.7
83.04984	16.3
83.08612	9.5
85.02946	1.6
85.06552	3.9
88.15881	1.5
91.05483	80.7
93.07048	77.3
94.72087	1.3
95.04973	29.1
95.08611	38.0
97.02904	2.4
97.06547	8.3
97.10172	4.4
103.05482	2.0
105.04526	5.2
105.07035	55.0
107.04941	9.7
107.08596	24.1
109.06525	9.6
109.10130	7.1
111.08091	2.6
115.05478	3.3
117.07036	12.3
119.07801	2.6
119.08588	31.7
121.06544	4.5
121.10131	8.2
123.08100	8.0
127.07592	2.0
128.06216	4.9
129.07013	26.2
129.07925	2.2
130.07561	1.4
131.08545	6.6
133.06483	3.0
133.10117	12.0
135.11713	3.3
137.09645	2.0
141.07007	2.0
143.08568	12.7
145.10135	10.9
147.08047	4.8
147.11697	44.1
159.11665	2.4
161.06020	4.5
161.09622	4.8
161.13275	21.1
163.11244	4.9
166.60197	1.5
169.10056	1.8
171.11696	41.9
179.14304	5.0
189.12755	17.0
201.09239	1.8
207.13805	41.2
225.14894	8.2
235.19145	1.4
272.69794	1.7
281.17514	3.9
409.13025	1.8
487.30624	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	488.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77351	1.1
56.96574	15.2
57.45344	1.2
58.65398	1.2
70.24596	4.5
81.07078	1.2
86.06019	1.1
95.04967	1.1
95.08495	1.3
105.07047	1.4
135.08813	1.3
138.08444	1.0
141.59293	1.2
142.07738	1.1
165.01860	7.6
178.11354	1.3
183.02963	3.8
191.00221	2.5
195.03363	1.8
203.00220	6.4
213.04250	2.2
221.01160	6.9
223.02864	2.0
233.08069	10.0
233.17178	1.1
239.02257	2.6
241.03818	1.4
243.69226	1.1
247.02734	1.6
259.02954	1.2
261.04373	2.1
271.02908	2.2
273.79639	1.1
275.06003	1.9
279.03281	1.8
280.04037	1.8
283.02765	3.2
284.03677	3.0
285.04312	2.4
285.09973	1.4
289.03754	1.3
293.06985	1.7
297.04230	5.5
298.05212	2.7
299.06131	1.3
301.03931	10.2
303.05792	1.3
307.02832	1.6
307.09985	1.2
309.04330	1.6
309.07782	1.7
312.03119	3.1
313.03723	2.1
315.05353	5.1
316.06177	2.8
325.03787	11.0
325.11154	1.6
326.04709	8.3
327.05344	4.1
329.03290	2.4
330.04172	2.8
331.04636	1.8
333.06635	1.5
337.03763	4.1
337.07410	1.6
340.02600	2.4
341.07248	1.7
343.04852	19.1
345.06494	7.3
345.10107	2.0
355.04880	4.7
361.06122	5.9
366.06555	1.6
379.08444	4.3
387.12585	1.7
395.11609	8.0
397.09625	7.8
405.13824	5.4
413.12350	3.0
429.13754	24.9
447.14819	100.0
448.15134	2.1
465.15884	99.5
466.16202	2.5
470.16531	8.6
481.02042	1.2
483.17224	5.7
488.17477	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	487.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.0
57.03426	0.6
57.07061	0.4
63.74350	0.4
65.64214	0.5
67.05495	0.8
69.03423	1.5
69.07060	1.8
76.34872	0.5
79.05508	1.3
81.03409	0.7
81.07074	2.5
83.04998	0.7
85.02900	1.6
86.09724	0.7
91.05463	1.0
93.07047	1.5
95.04965	0.6
95.08602	2.4
97.02896	0.8
97.06528	0.5
98.21516	1.0
105.07027	1.1
107.08596	1.7
109.02890	0.6
109.10155	1.9
119.04985	0.6
119.08561	1.5
121.10161	1.2
122.98877	0.4
123.11746	1.3
131.08563	0.8
133.02768	0.6
133.10204	0.9
135.11700	1.1
136.33754	0.4
145.10135	0.6
149.13211	0.6
161.06017	1.3
195.10274	0.7
203.18001	0.6
251.11171	2.2
265.08713	0.8
269.12390	2.4
287.13403	1.4
307.09647	1.2
307.26407	1.2
325.07480	0.6
325.11197	2.7
325.15482	2.9
443.22693	4.9
484.44907	0.6
487.21506	100.0
488.21793	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	487.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	12.4
55.01865	13.2
55.05513	30.0
56.96558	6.8
57.03433	7.0
57.07054	12.4
59.04998	4.3
62.29534	3.2
67.05507	20.6
68.03197	3.5
68.99784	6.1
69.03431	47.8
69.06725	5.0
69.07071	72.3
70.88344	9.3
71.05002	17.8
73.02900	10.9
79.05505	18.6
81.03429	37.7
81.07059	66.3
83.04967	9.8
83.08617	26.1
85.02905	63.8
85.06534	4.6
86.09695	4.8
87.00835	34.7
91.05455	16.8
93.07047	43.9
95.04955	7.0
95.08618	44.5
97.02910	26.4
97.06551	17.1
97.10143	4.8
98.97572	10.5
99.04450	14.9
99.08076	5.9
105.01871	18.0
105.07043	26.8
107.04996	4.4
107.08589	55.7
109.02882	28.7
109.06534	6.8
109.10170	37.1
111.08069	13.4
111.11711	5.3
115.03918	5.6
117.01860	5.1
117.06988	4.2
119.04924	4.2
119.08588	23.6
121.06477	3.5
121.10126	28.4
123.08083	24.4
123.11698	21.7
125.09660	6.7
125.13259	21.4
127.03928	42.7
127.11156	6.7
129.01808	5.0
131.08591	6.8
133.02853	13.1
133.10126	20.3
135.08040	3.8
135.11688	61.7
137.05946	9.4
137.09576	11.8
137.13249	9.3
145.04959	12.6
145.10139	10.1
147.11668	14.8
149.13260	28.8
151.11160	8.3
153.11891	3.0
153.12769	32.1
157.10124	6.3
159.02850	16.3
159.11676	11.8
161.05960	5.7
161.13242	11.4
163.14828	6.3
165.09128	4.2
165.12732	3.3
169.10068	3.8
171.11685	4.9
173.09631	3.9
187.14839	4.1
203.18019	34.0
205.06485	3.3
205.19530	14.6
221.16847	6.0
221.18996	100.0
239.20064	8.3
250.06354	4.2
293.08051	5.6
307.26242	13.9
325.10773	19.5
328.81055	3.8
469.24615	5.0
487.19116	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39783	0.4
56.96565	0.7
69.03419	1.7
69.07084	0.6
70.06598	2.4
71.55315	0.7
81.07064	1.2
83.65556	0.5
84.08138	0.7
85.02912	2.2
86.09713	3.9
91.05486	0.8
96.68382	0.4
97.02938	0.7
98.97580	1.3
107.08617	0.7
123.04459	0.5
126.03713	0.8
127.03951	1.1
131.08534	0.6
133.02829	2.3
133.10205	0.7
137.06032	1.1
149.06000	1.1
150.83516	0.5
163.03973	0.8
175.03865	0.7
198.09468	0.5
199.18074	1.1
203.05157	0.7
219.01947	0.5
237.02785	0.6
239.09457	0.6
245.09460	0.6
258.27243	0.5
259.07968	0.7
269.12323	0.7
283.12225	0.8
307.12143	1.5
309.07275	0.5
325.10846	1.6
325.16360	0.9
333.07736	0.5
335.09366	0.9
427.16394	2.6
445.17276	0.8
472.07883	0.6
487.21469	100.0
488.21826	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2157
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
55.05511	0.5
57.44113	0.2
67.05499	0.6
69.03434	1.4
69.07055	0.9
69.91559	0.5
69.91911	1.2
71.04952	0.3
73.02931	0.3
79.05508	0.4
81.07048	1.2
82.87347	0.3
83.04964	0.7
83.08613	0.3
85.02888	1.0
85.06548	0.4
91.05462	0.6
92.62360	0.3
93.07039	0.7
95.04952	0.3
95.08617	1.2
97.02878	0.3
98.97575	0.4
99.29230	0.2
105.07034	0.8
107.04874	0.3
107.08581	0.5
109.02880	0.3
109.10135	0.7
111.08057	0.3
117.07055	0.3
119.08560	0.5
121.10091	0.4
123.08099	0.3
127.03941	0.5
131.08527	0.5
133.02750	0.3
133.03592	0.4
133.10135	0.3
135.11722	0.3
137.05991	0.8
145.10167	0.3
147.11687	0.4
149.13170	0.4
150.06770	0.4
153.12782	0.4
161.06044	0.5
163.03928	0.3
163.99243	0.2
173.06105	0.3
175.03911	0.3
185.04234	0.3
201.05647	0.7
201.16504	0.4
203.05331	0.6
203.18504	0.3
205.06485	0.7
221.10217	0.6
222.06842	0.4
225.13431	0.3
233.06018	0.7
237.09207	0.5
239.11383	0.4
243.14534	0.3
249.05374	0.4
250.06212	0.4
251.11238	2.5
259.07895	0.8
265.08725	1.0
269.12396	2.9
270.12592	0.4
277.08997	0.5
287.13452	2.0
292.07309	0.5
293.07968	1.1
307.09698	1.4
307.13190	0.2
307.26285	0.7
325.10742	3.2
325.15417	3.1
443.22598	4.0
469.19516	0.7
487.21466	100.0
488.21814	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	487.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.6
56.96568	0.5
61.02946	0.4
67.05485	0.8
69.03420	1.2
69.07056	1.7
69.87476	1.0
69.87864	1.0
79.05497	0.8
81.03407	1.0
81.07053	1.4
85.02894	1.8
85.06561	0.6
91.03953	0.5
91.05472	0.4
95.08624	1.1
98.21449	0.5
104.01507	0.5
105.01900	0.4
105.06998	0.8
107.08591	0.8
109.02863	0.7
109.10158	0.8
111.11713	0.5
119.08591	1.0
122.32666	0.4
127.03933	0.9
133.10141	0.6
137.02328	1.1
149.02344	0.8
154.11995	0.5
161.06003	2.3
167.03476	0.8
189.06117	1.4
199.07608	0.7
215.10657	0.5
221.19138	0.5
227.05228	1.0
227.07182	0.8
239.16187	1.3
245.06374	0.9
251.07068	0.6
260.20889	0.5
267.09048	0.5
269.08157	1.4
271.04388	0.6
273.08191	0.9
285.09799	0.5
289.05386	0.6
313.16177	2.6
324.11340	0.4
325.14389	4.0
355.17258	3.9
399.16287	3.1
401.21500	3.7
419.21442	0.6
443.22540	16.3
444.23035	0.7
469.52606	0.4
487.21552	100.0
488.21884	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	487.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28581	1.2
50.28840	1.5
50.73033	1.3
55.01870	1.9
56.96571	21.9
70.06577	2.2
70.83326	3.0
70.83677	2.1
76.40555	1.2
81.07042	1.5
81.94502	1.5
84.04518	3.2
84.96048	2.2
85.02885	2.8
86.09705	2.1
91.05465	1.8
95.04976	24.9
98.96941	3.0
98.97590	58.6
99.04463	2.1
106.06564	1.8
109.06505	4.1
110.97574	5.9
115.00685	1.8
116.98631	16.7
120.08089	1.6
123.08066	2.6
126.03764	8.1
127.00677	3.7
127.05003	1.6
128.98584	4.9
134.99654	2.1
138.03734	12.4
139.00626	1.5
143.00128	2.6
145.01729	1.4
146.99654	2.0
156.04774	4.4
157.01726	5.0
158.99681	9.7
159.03268	2.2
165.07964	2.5
166.08609	3.0
170.99796	1.4
171.03300	4.4
175.02643	1.8
177.00725	8.5
180.04787	6.0
183.03276	6.3
189.04329	3.5
191.03568	2.0
195.06958	1.7
197.04817	2.4
198.05852	48.7
199.06367	2.7
201.04276	2.2
203.05894	2.3
209.04861	12.7
211.06425	3.7
213.07977	2.5
219.01796	9.7
221.08580	2.1
224.07452	2.6
225.08022	2.4
227.05933	15.6
229.07394	4.0
231.04358	2.0
231.09171	3.1
237.02882	8.3
239.09555	5.0
243.08986	2.2
247.10095	5.0
252.06955	3.9
257.10596	2.8
263.09378	1.8
265.11078	21.8
281.10596	2.7
283.12201	49.2
289.11038	3.7
295.06076	2.1
301.13208	33.3
306.13696	2.0
307.05878	2.1
307.12195	12.8
309.07755	2.0
325.07074	1.9
325.13232	6.5
335.09244	1.8
337.07141	2.2
343.14291	1.8
347.04147	1.5
358.14172	7.4
367.14285	4.1
409.15347	8.5
427.16428	100.0
428.16666	2.7
445.17511	4.4
469.11240	2.5
487.13339	1.2
487.18442	33.6
488.18704	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	487.2156
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
53.03941	0.3
57.69800	0.3
67.05503	0.4
69.03439	0.5
69.32871	0.6
69.33278	2.1
71.05022	0.3
81.07060	0.4
86.09719	1.2
91.05466	0.3
107.08614	0.3
107.28136	0.3
117.85517	0.3
133.02887	0.8
133.44807	0.4
134.91808	0.3
149.06027	0.4
168.60236	0.3
177.05589	0.3
193.12073	0.5
203.05313	0.4
205.52751	0.3
273.29459	0.3
275.07422	0.8
317.08661	0.5
317.44739	0.3
325.10614	0.4
326.96381	0.3
335.09497	9.1
355.17377	1.9
466.54492	0.4
487.21539	100.0
488.22009	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	485.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86809	4.7
53.03943	15.4
55.01860	14.3
55.05511	18.0
56.96561	9.4
57.03440	7.6
57.07074	10.4
60.12864	4.4
61.02926	12.2
67.05501	30.9
69.03435	53.2
69.07070	19.7
70.01467	24.9
71.05001	30.1
73.02920	9.0
79.05508	31.1
81.03425	46.5
81.07066	52.5
83.05001	25.6
83.08630	15.2
85.02915	100.0
85.06540	9.1
87.00858	36.0
91.05495	33.4
93.07056	60.3
95.04977	23.0
95.08626	35.1
97.02917	40.4
97.06545	16.4
98.21494	6.6
98.97575	13.9
99.04444	20.5
99.08086	6.3
103.05476	7.1
105.01866	21.9
105.07044	49.5
107.08606	52.9
109.02904	40.0
109.06528	11.8
109.10176	25.5
113.06017	11.5
115.21967	5.3
116.98629	5.8
117.01870	6.6
117.06976	6.2
119.08601	53.1
121.06513	10.4
121.10157	81.3
123.04413	6.7
123.11694	14.1
125.05989	10.1
125.09654	56.5
127.03931	60.5
127.11219	11.8
131.08583	16.0
133.06505	15.6
133.10136	29.0
135.08078	16.3
135.11688	24.5
137.06021	5.3
137.09605	7.7
139.07629	5.6
143.08580	9.0
145.04980	20.8
145.10130	45.4
147.11690	39.0
147.76033	5.5
149.09683	10.2
149.13261	15.2
151.11162	8.5
153.05380	6.8
157.10129	19.0
159.02895	14.6
159.11734	24.4
161.05992	42.7
161.09642	9.0
161.13290	12.6
163.11197	10.0
169.10187	6.3
173.09604	6.0
175.11171	7.9
175.14856	8.8
187.11238	8.8
191.17978	7.4
197.13326	6.6
201.16393	19.0
203.07124	4.9
203.17944	6.7
219.01849	6.9
219.17477	43.1
225.12794	6.0
237.18532	9.5
239.05643	6.4
299.05786	6.3
317.08771	8.1
323.18536	5.7
417.20380	5.1
485.22617	11.6
485.33005	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	487.1449
Annotation	Hymexelsin
Peak:m/z	Relative Intensity
56.33309	0.2
57.03423	0.5
67.01865	0.5
68.99777	0.2
69.03432	1.7
70.06591	0.4
71.55458	0.3
81.92544	0.2
84.90196	0.2
85.02918	1.4
86.09660	0.3
87.04485	0.9
91.05466	0.3
95.04964	0.4
97.02882	0.9
98.97584	0.6
115.03919	0.9
125.05964	0.4
127.03912	0.4
133.04948	0.7
147.04431	0.4
149.05943	0.2
151.03914	0.3
153.01811	0.5
169.05000	0.2
175.03859	0.2
177.00650	0.2
184.04335	0.4
193.04971	100.0
194.05272	1.5
235.06044	0.4
265.11240	0.2
337.07187	0.2
355.10464	6.3
367.08063	0.6
406.59708	0.2
406.68491	0.2
409.09171	0.6
427.16116	0.3
451.10172	0.3
469.11057	0.5
487.12094	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53925	0.3
53.03953	0.3
54.02281	0.4
55.05497	0.5
56.96563	0.4
57.03419	0.3
61.72223	0.3
67.05506	0.7
69.03439	0.3
69.07063	0.9
71.55511	0.5
72.66818	0.3
79.05495	0.8
81.07056	2.2
85.02908	0.7
92.29889	0.3
93.07046	0.6
95.04997	0.4
95.08609	1.5
97.02917	0.6
98.97585	0.8
104.10743	0.3
107.08580	0.6
109.06552	0.3
109.10175	0.7
119.08568	0.4
121.06514	0.5
121.10146	0.8
123.11710	0.3
127.03856	0.5
133.06546	0.4
133.10144	0.5
135.11685	0.4
137.13342	0.4
155.03128	0.3
158.99689	0.5
161.06000	1.5
171.02753	0.4
175.14807	0.3
185.04230	0.7
191.10468	0.5
205.04956	0.4
206.05672	1.0
207.05963	0.5
208.06349	0.6
229.06839	1.5
235.09647	5.8
236.10019	3.8
237.10205	4.6
260.64569	0.3
281.19080	0.3
302.00693	0.4
317.08453	35.4
318.08722	0.5
335.09439	0.9
365.43402	0.3
374.00134	0.3
434.00226	0.3
485.19958	100.0
486.20200	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	485.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86809	4.7
53.03943	15.4
55.01860	14.3
55.05511	18.0
56.96561	9.4
57.03440	7.6
57.07074	10.4
60.12864	4.4
61.02926	12.2
67.05501	30.9
69.03435	53.2
69.07070	19.7
70.01467	24.9
71.05001	30.1
73.02920	9.0
79.05508	31.1
81.03425	46.5
81.07066	52.5
83.05001	25.6
83.08630	15.2
85.02915	100.0
85.06540	9.1
87.00858	36.0
91.05495	33.4
93.07056	60.3
95.04977	23.0
95.08626	35.1
97.02917	40.4
97.06545	16.4
98.21494	6.6
98.97575	13.9
99.04444	20.5
99.08086	6.3
103.05476	7.1
105.01866	21.9
105.07044	49.5
107.08606	52.9
109.02904	40.0
109.06528	11.8
109.10176	25.5
113.06017	11.5
115.21967	5.3
116.98629	5.8
117.01870	6.6
117.06976	6.2
119.08601	53.1
121.06513	10.4
121.10157	81.3
123.04413	6.7
123.11694	14.1
125.05989	10.1
125.09654	56.5
127.03931	60.5
127.11219	11.8
131.08583	16.0
133.06505	15.6
133.10136	29.0
135.08078	16.3
135.11688	24.5
137.06021	5.3
137.09605	7.7
139.07629	5.6
143.08580	9.0
145.04980	20.8
145.10130	45.4
147.11690	39.0
147.76033	5.5
149.09683	10.2
149.13261	15.2
151.11162	8.5
153.05380	6.8
157.10129	19.0
159.02895	14.6
159.11734	24.4
161.05992	42.7
161.09642	9.0
161.13290	12.6
163.11197	10.0
169.10187	6.3
173.09604	6.0
175.11171	7.9
175.14856	8.8
187.11238	8.8
191.17978	7.4
197.13326	6.6
201.16393	19.0
203.07124	4.9
203.17944	6.7
219.01849	6.9
219.17477	43.1
225.12794	6.0
237.18532	9.5
239.05643	6.4
299.05786	6.3
317.08771	8.1
323.18536	5.7
417.20380	5.1
485.22617	11.6
485.33005	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	485.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.8
56.63809	0.8
56.96553	2.2
61.98597	0.9
67.05507	1.9
69.03418	2.8
69.07063	2.3
71.04959	1.0
71.55953	1.5
79.05478	3.2
80.09853	0.9
81.03416	1.9
81.07079	5.1
84.80335	1.0
85.02891	2.3
85.06512	1.0
88.55307	0.9
91.05450	1.9
93.07041	4.1
95.04987	3.1
95.08588	3.2
97.02846	1.1
97.06524	2.1
98.97577	4.5
103.05459	1.0
105.07044	4.5
107.05005	1.1
107.08593	2.2
109.10173	1.8
113.05985	3.3
116.98619	1.7
119.08569	2.3
121.06490	1.5
121.10145	3.0
123.08091	1.5
126.03719	2.1
127.03928	1.2
129.59000	1.1
133.06499	5.6
135.04402	1.6
135.11743	2.1
137.05981	1.6
141.39394	1.0
145.10085	1.4
147.04396	1.1
147.08044	1.4
149.02322	1.0
151.03946	1.3
153.05493	1.2
158.03587	1.1
158.99635	1.3
159.11722	1.6
161.05986	16.0
161.13249	1.7
164.06987	1.0
173.01239	1.1
177.00676	2.0
180.71970	0.8
182.09961	1.7
185.04414	1.5
185.06064	1.1
186.10442	1.0
191.02188	1.0
192.39754	0.9
192.88229	1.1
201.16325	1.9
203.07053	11.8
219.01796	1.3
239.05640	1.5
255.17868	1.0
289.11057	1.2
306.49600	1.0
317.08450	39.3
323.12619	5.3
329.11447	1.2
330.11514	1.4
347.09219	1.2
349.10095	1.1
485.19928	100.0
486.20370	3.1
504.18756	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1997
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
56.96569	0.4
62.00515	0.4
67.05501	0.5
69.03432	0.8
69.07052	0.6
70.94770	0.9
71.45894	0.3
81.03442	0.4
81.07044	1.2
82.50777	0.3
85.02909	0.8
93.07031	0.6
95.04995	0.6
95.08606	1.2
97.02889	0.4
97.06551	0.4
97.14531	0.4
98.97588	0.6
105.07040	0.5
108.00434	0.4
111.58788	0.4
117.62239	0.3
124.66074	0.4
131.00201	0.4
133.06479	0.4
139.41248	0.4
145.03461	0.5
147.08107	0.4
149.02425	0.5
155.01913	0.4
161.05991	1.6
169.03505	0.8
185.04266	0.8
187.04526	0.5
191.10481	0.5
203.07076	3.8
269.09225	0.5
317.08472	36.0
323.12851	2.0
329.11301	1.0
330.11789	1.7
335.09473	0.5
362.13928	0.4
453.18475	0.5
485.19983	100.0
486.20502	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25506	0.8
53.03959	1.5
53.48659	0.8
55.05510	2.4
56.67375	0.8
56.75748	0.7
57.03442	1.0
57.20301	0.8
59.29045	0.8
60.69463	0.7
67.05503	3.4
69.03426	1.3
69.07076	4.0
71.55254	1.4
71.55641	0.9
79.05486	3.2
80.94680	0.8
81.03433	1.4
81.07068	6.1
82.07397	1.3
83.04981	1.1
83.08607	1.7
85.02902	3.6
85.06561	0.8
91.05476	3.6
93.07070	5.5
95.04990	1.7
95.08611	6.4
97.02878	2.0
97.06559	1.3
98.97585	1.2
105.07023	5.6
107.08598	5.7
109.10158	4.1
117.07037	1.1
119.08604	3.3
121.06538	1.3
121.10151	7.1
123.11691	1.2
127.81938	0.8
129.06985	1.7
131.08601	2.2
133.10149	1.8
135.11688	2.2
137.06046	1.1
140.44055	0.8
141.59821	1.1
143.08571	1.1
145.04984	1.0
145.10136	4.9
147.11673	2.8
149.09639	1.2
149.13287	1.0
157.10104	1.8
159.08076	1.3
159.11742	3.9
169.10103	1.1
171.11662	1.1
173.09613	3.5
173.13405	0.8
177.16394	2.2
182.17012	1.0
185.09724	1.0
187.11195	5.9
197.09747	1.1
203.05302	1.8
215.10748	3.6
217.15974	1.5
229.03516	1.0
233.11989	1.1
235.16814	1.3
241.11488	0.8
245.06352	6.0
267.15805	1.0
268.16309	2.5
271.04251	1.1
285.17023	2.0
286.17307	4.8
289.05328	100.0
290.05630	0.9
291.05798	1.6
303.88135	0.8
439.22809	2.2
475.38751	0.9
483.22012	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	485.0327
Annotation	Unknow
Peak:m/z	Relative Intensity
62.14511	5.3
69.03407	6.0
70.70728	17.5
80.55582	4.8
89.50910	5.0
97.02885	12.9
98.97652	9.5
119.01932	16.9
119.49180	5.3
159.03162	6.9
177.00920	31.8
191.02682	6.7
219.02055	33.2
235.00015	14.9
240.98868	15.9
243.02087	16.8
259.00061	51.7
260.00168	8.3
261.00208	12.8
261.03055	100.0
262.03305	25.1
263.02872	18.1
276.97968	9.9
277.01047	38.1
278.01297	6.8
283.00064	92.3
284.00092	22.8
284.99893	20.0
300.97629	13.5
301.01041	94.5
302.01175	18.7
303.00931	19.3
303.20468	5.7
316.98682	7.9
318.98651	17.6
339.58374	6.2
354.93732	10.8
360.99533	9.2
396.94785	8.0
401.01169	18.0
418.90710	6.1
425.01343	43.7
443.02963	59.2
443.21188	7.0
444.02496	11.5
445.02271	11.7
460.99542	13.7
462.95996	30.9
473.93335	7.2
475.93842	6.4
478.93967	11.8
481.91840	10.3
482.92209	6.8
485.00464	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	483.2211
Annotation	Excavatolide M
Peak:m/z	Relative Intensity
53.03957	0.6
55.01881	0.7
55.05506	1.5
56.96557	0.8
57.07078	0.9
64.53905	0.6
65.79013	0.6
67.05500	2.2
68.05042	0.7
69.03427	1.6
69.07057	1.6
69.43586	2.2
69.44010	3.2
79.05482	1.5
81.03400	1.3
81.07045	3.0
82.05515	0.7
84.08130	0.8
85.02901	2.8
91.05482	1.5
93.07044	3.1
95.04962	1.2
95.08604	2.9
97.02890	1.9
98.97584	1.2
105.07056	3.5
107.08605	4.1
109.02908	0.9
109.06488	1.0
109.10140	1.8
116.98618	0.7
119.01864	0.9
119.08559	2.0
121.10129	2.6
123.04478	1.5
123.11677	0.7
125.06093	0.6
127.03917	1.5
131.08591	1.0
133.10133	1.9
137.05956	1.0
138.24306	0.6
139.03893	1.5
145.10143	1.1
147.08026	0.8
147.11711	1.3
157.10127	1.2
158.67139	0.7
159.08060	0.8
163.11206	0.7
165.05484	0.9
167.07024	0.8
173.13309	1.1
187.11279	1.0
205.04912	2.3
206.05710	3.3
217.15872	1.5
227.05219	1.9
235.09660	26.4
235.16786	2.9
259.04211	0.8
271.04230	1.6
280.71268	0.7
287.05795	1.7
289.05478	1.4
317.08313	3.4
379.20767	3.1
397.22076	1.5
399.66135	0.6
421.22043	12.4
439.23203	6.8
465.20999	100.0
466.21115	1.9
483.22360	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12130	1.3
56.96558	2.8
57.03432	2.0
62.87691	1.5
69.03424	7.2
70.06598	2.9
71.55234	2.0
73.02916	1.5
74.06106	2.0
81.03435	3.0
85.02912	10.8
91.05463	2.5
94.06507	2.0
94.44614	1.2
97.02882	5.0
98.97581	1.6
99.04482	1.2
119.04949	2.5
122.06064	2.0
123.04393	2.2
127.03944	4.1
136.07530	1.5
139.03880	4.3
147.04373	5.7
151.03891	3.5
163.03897	1.4
179.03470	3.1
184.11243	2.6
194.09738	2.0
195.09236	1.6
196.10016	9.7
197.10828	2.7
206.08394	20.4
209.07140	1.4
211.12263	12.1
213.10281	2.1
220.09975	3.6
221.10722	9.5
223.08704	5.9
224.09430	7.5
225.10252	1.9
227.08099	2.8
237.10211	3.8
238.10954	7.2
239.08128	2.4
239.11797	28.1
241.09819	2.8
252.09204	1.6
253.05168	1.5
257.04581	1.9
257.12869	5.8
267.11310	58.6
268.11664	1.6
271.10956	1.4
272.11539	4.5
275.13940	1.5
285.04007	2.7
285.12350	63.6
303.13422	100.0
304.13754	2.2
321.10205	3.2
321.14377	7.3
339.11050	5.0
351.08582	1.6
483.14740	2.5
483.20151	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.5
55.65040	0.8
62.90545	0.7
67.05499	1.6
69.07072	1.4
70.50717	2.0
71.05013	1.5
79.05497	2.0
81.07070	4.4
83.08649	1.4
85.02907	2.2
91.05490	2.1
93.07048	3.5
95.08611	5.0
97.02908	1.2
105.07061	2.1
107.08594	4.6
109.02853	1.2
109.06519	0.8
109.10189	2.4
119.08579	1.4
121.10143	5.4
123.11713	1.2
131.08646	0.8
135.11700	1.5
145.06508	0.9
145.10184	1.7
159.11708	1.2
167.07018	0.9
177.16426	2.5
187.11156	1.7
205.09843	1.3
215.10760	1.1
217.15984	1.2
225.81140	0.8
235.45366	0.9
245.06374	4.7
289.05319	100.0
290.05640	1.0
321.16965	1.6
357.66980	0.8
376.23224	1.0
439.22870	1.2
458.21390	0.8
483.22092	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	483.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04335	1.0
54.56779	1.2
56.59301	1.1
57.01707	1.0
57.03416	1.8
61.01202	1.1
61.02919	1.5
67.05503	1.4
69.03447	5.2
70.84585	2.6
71.04987	1.0
81.03419	2.5
84.52180	1.1
85.02909	12.6
94.06554	2.5
97.02921	5.0
98.97601	1.9
109.02869	1.0
110.48110	1.0
119.79659	1.1
127.03923	2.2
136.07637	1.4
139.03906	1.7
145.02844	1.2
146.08311	1.1
147.04427	2.1
166.08626	1.8
169.07693	1.0
173.07149	2.2
174.07893	1.7
177.05493	2.5
179.03439	1.9
182.09625	1.1
189.10229	3.3
194.09660	2.3
196.09950	8.2
197.10683	3.3
201.10265	1.1
202.10994	2.1
206.08389	19.7
209.07019	1.7
209.10776	1.3
211.12357	10.3
220.10023	2.3
221.10748	10.4
223.08682	4.2
224.09467	9.0
225.10020	1.3
226.10941	2.7
227.08167	3.4
229.13368	1.4
237.10291	3.4
238.11032	6.7
239.08220	2.0
239.11812	25.5
241.09674	2.6
244.12123	1.9
252.08926	1.7
255.11269	1.4
257.12982	7.1
267.11319	57.3
268.11685	1.6
271.98740	1.2
272.11453	4.1
275.14026	3.2
285.12363	65.5
287.14038	1.2
290.12607	4.2
303.13406	100.0
304.13708	2.0
321.14459	22.0
483.19812	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02196	0.1
56.96564	0.2
57.03414	0.2
67.05493	0.1
69.03423	0.2
69.07066	0.2
71.04989	0.1
73.02910	0.2
75.26884	0.1
81.03424	0.1
81.07049	0.4
83.08644	0.1
85.02898	0.3
91.05463	0.2
95.08631	0.2
97.02890	0.2
98.20708	0.3
98.97591	0.4
105.07021	0.2
107.08598	0.1
109.02937	0.2
109.06473	0.2
109.10178	0.2
116.98606	0.2
121.10157	0.1
123.04434	0.1
127.03899	0.2
151.07527	0.2
153.01884	0.2
159.11908	0.1
163.03824	0.1
170.56230	0.1
178.06076	0.1
179.03407	0.5
193.05055	0.2
205.04974	7.3
206.05759	15.5
207.06433	0.5
219.01747	0.1
220.07330	0.4
235.09666	100.0
236.10048	1.1
332.72839	0.1
397.14816	0.9
483.15121	2.2
483.21683	0.3
483.29016	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	483.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02485	0.4
53.28699	0.4
57.03423	1.3
57.07053	0.8
61.02911	1.0
68.99807	0.5
69.03411	1.5
69.07058	0.7
70.31783	1.2
70.32143	0.7
73.02911	0.5
79.01842	1.1
79.05478	0.9
81.03419	1.3
81.07025	1.0
82.94446	0.4
85.02923	2.7
85.52666	0.4
87.00818	1.0
91.05451	1.2
93.07042	0.8
95.04939	0.9
97.02827	0.6
103.03959	1.4
105.07002	1.9
107.08624	0.5
109.02852	1.0
109.06506	0.8
119.08611	0.6
121.10196	0.4
129.01860	1.3
133.06425	0.5
133.10167	0.5
141.01865	0.4
145.10173	0.8
147.02821	0.5
147.08072	0.7
151.03836	0.7
163.03879	0.5
163.11180	1.1
165.01810	2.2
167.03349	0.5
177.05540	1.0
189.05452	0.7
191.03403	1.0
191.07047	0.5
191.10651	1.0
195.02901	0.5
205.04968	1.9
206.05743	1.7
207.10197	0.7
215.10716	0.5
216.07607	0.5
217.04971	4.4
218.05769	6.6
219.03087	0.5
219.06514	7.5
219.10161	0.6
220.07314	14.4
221.04517	0.8
223.09700	1.0
229.05029	2.0
230.05794	2.7
231.06580	2.9
231.10181	1.3
232.07278	2.7
234.08897	0.9
235.06000	0.6
235.09616	5.6
241.05023	0.7
243.06561	1.9
244.07463	1.0
247.06035	6.6
247.09686	61.5
248.06818	9.4
248.10434	8.6
249.11357	0.8
257.08261	1.0
257.11804	0.6
258.08942	1.7
259.06323	1.2
259.09677	34.1
260.06720	1.1
261.04019	0.8
261.07382	0.7
261.11252	10.7
262.11359	0.5
263.09155	0.7
269.08096	0.5
269.11621	0.5
271.06091	1.3
271.09705	2.2
272.06744	1.2
272.10410	1.6
273.11267	4.4
275.09131	4.1
277.10730	100.0
277.31812	0.5
278.11020	1.3
278.43134	0.5
287.09164	1.4
287.12817	5.0
288.10007	0.9
289.10773	4.7
291.12451	1.0
297.11191	2.7
299.09045	1.0
301.10733	18.6
307.11807	3.7
313.10770	0.5
315.12299	3.8
319.11795	1.5
325.10706	4.1
327.12329	0.6
331.11777	0.9
343.11786	14.1
361.12860	4.8
379.13672	2.9
385.12527	0.5
397.14960	2.5
403.13879	7.8
421.14969	4.9
429.11737	1.2
439.16083	1.7
447.12863	8.8
465.13943	16.7
483.15005	25.4
484.15649	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
54.59400	1.1
56.96564	2.1
61.02925	1.7
65.03953	1.3
67.05499	2.2
69.03432	8.0
69.34712	1.0
71.55064	1.6
81.03408	3.6
83.04977	1.2
84.04502	4.6
85.02918	11.2
87.04488	1.8
87.05609	1.0
90.37570	0.9
91.05483	1.5
93.07003	1.1
94.06580	2.8
95.05007	1.2
96.08128	2.9
97.02894	4.4
98.06064	2.3
98.97594	1.6
105.07031	3.5
106.07388	1.1
108.08133	1.8
109.02869	1.8
110.06073	2.8
110.09695	5.3
118.06514	1.1
119.04996	1.3
120.08131	6.5
122.06023	3.1
122.09669	1.4
123.06830	1.3
126.05533	7.8
127.03926	2.1
131.08527	1.0
136.07623	1.9
136.57915	1.0
138.05545	5.2
138.08144	1.3
138.09160	25.7
139.03909	7.9
144.08090	2.7
145.02824	1.5
146.03065	1.1
146.06036	7.1
147.04422	1.8
148.07545	2.3
151.03943	2.1
156.06575	19.9
160.11279	1.4
166.08649	37.5
170.06053	1.2
175.08665	1.9
177.05495	1.9
178.05899	1.3
179.03468	2.3
183.49014	1.0
184.11221	1.4
188.07091	9.1
188.10732	2.9
194.09583	2.0
195.09248	1.1
196.09901	5.2
197.10664	2.2
198.07611	1.2
200.07085	3.3
202.08708	1.8
204.08623	2.0
205.09689	2.7
206.08392	11.7
209.07172	1.3
209.10663	1.1
211.12245	6.2
213.10201	2.1
214.08647	1.5
215.09421	1.8
216.10231	3.0
220.10059	1.8
221.10794	5.1
223.08633	3.0
224.09497	5.1
225.10201	1.4
226.10997	1.8
227.08188	2.4
227.11620	1.4
230.11751	2.0
231.14836	1.1
233.10449	1.5
234.11284	3.8
237.10307	1.5
238.11024	3.5
239.11810	12.5
241.09734	4.2
246.07487	1.3
254.10547	1.3
257.12894	2.5
258.11310	3.7
262.10669	7.5
263.10211	3.3
267.08414	1.8
267.11313	33.5
271.10809	3.2
272.11572	10.3
275.14020	1.8
276.12332	8.5
280.12927	4.1
285.12363	27.0
290.12512	4.9
303.13419	29.9
304.11813	9.2
317.06445	1.4
321.14450	100.0
322.14859	2.2
339.11142	5.9
353.05536	1.3
363.11041	2.3
470.98367	1.0
483.15057	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	2.1
57.94399	1.1
69.03426	1.5
71.31402	2.1
82.99425	1.3
82.99864	2.6
84.96037	1.3
85.02875	1.2
91.05486	2.9
94.99828	1.6
97.02905	2.1
98.97582	9.3
101.00892	17.3
109.02890	1.5
110.97598	1.3
113.00871	4.8
115.02418	1.7
116.98662	1.8
119.01927	22.6
119.04949	3.6
120.05268	1.3
124.14678	1.1
126.05545	2.1
127.02449	3.5
127.03874	1.7
128.98582	2.4
131.01920	15.8
133.03471	2.9
137.00916	1.3
137.02998	2.9
139.02409	1.8
139.03917	2.7
140.17513	1.1
143.00194	1.3
143.01904	30.3
145.03510	14.8
147.01385	2.6
147.04381	12.4
149.02962	2.3
155.01891	29.3
157.03490	8.7
158.99658	2.4
161.02957	21.3
163.03920	1.6
167.01926	11.2
169.03500	6.2
171.03340	1.2
171.05054	3.2
173.01437	2.2
173.02963	45.1
173.04512	2.2
174.03084	1.3
175.02814	1.4
177.02496	5.9
177.05482	2.9
179.01955	5.5
183.01411	2.7
183.05089	2.0
185.02963	50.0
186.03046	1.4
187.04514	11.8
191.04080	1.9
195.03516	2.0
197.02946	13.9
199.04523	2.6
201.02449	68.0
202.02608	1.6
203.04065	12.9
205.05540	1.3
209.02934	2.8
211.04620	1.6
213.02414	13.9
215.04036	10.1
219.01828	4.6
219.03517	100.0
220.03773	2.0
221.05081	3.7
225.02388	2.4
227.04028	11.3
229.05536	2.7
231.03505	12.8
233.05090	2.7
237.02612	5.2
237.04700	2.2
242.05186	2.9
243.03532	3.2
245.05086	97.6
246.05373	2.3
249.04581	8.5
255.03529	5.8
257.05093	6.9
261.01932	0.9
261.04602	19.3
263.06168	14.2
273.04361	1.7
275.06104	15.1
277.07706	4.0
279.05627	4.9
285.04590	2.9
289.07681	1.9
293.07196	5.3
295.88992	1.2
298.80347	1.2
303.05649	30.4
303.08868	1.7
305.07199	11.5
309.08618	1.4
321.06717	47.3
321.10031	2.0
335.08124	5.5
339.07791	1.6
365.09412	7.9
383.12424	1.8
430.33957	1.3
483.11789	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	482.3249
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
50.71870	1.6
57.03448	3.8
57.06834	2.2
57.07085	35.8
62.06091	25.7
65.97913	1.5
67.05492	6.3
69.07062	5.6
69.48144	1.8
71.08288	2.3
71.08638	27.9
73.53358	1.5
74.86568	1.7
81.07050	4.7
83.08599	4.8
85.10191	11.9
89.06044	30.0
95.08607	5.2
97.10141	3.7
98.98442	5.7
99.11754	3.1
109.10150	4.3
120.09974	1.7
133.08640	15.5
155.01038	6.0
177.11238	6.2
189.22389	1.7
216.06400	2.8
265.25003	2.0
283.17551	9.5
310.31100	12.8
341.30542	100.0
342.30756	1.8
346.80954	2.0
421.27042	3.8
464.31595	2.7
465.37762	6.2
468.97165	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0001
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	1.7
73.51114	0.8
98.20914	0.8
98.97591	11.4
101.81296	0.6
116.98618	4.5
132.96594	1.0
134.66148	0.8
134.99678	2.0
156.96568	1.5
172.16637	0.7
174.97643	7.1
190.95602	1.6
192.98735	2.6
196.94614	0.7
198.97713	1.4
208.96588	1.3
214.95630	7.2
216.98750	4.2
232.96719	15.8
233.96663	1.0
234.99789	6.3
238.95761	2.1
240.98885	1.6
250.50909	0.7
250.97824	9.2
256.96719	36.4
257.96820	1.3
258.99973	6.3
259.99960	1.1
260.99777	0.7
274.97766	62.5
275.97861	3.0
277.00970	6.2
278.00854	0.9
280.96683	2.3
283.00021	10.8
284.00366	1.2
284.99963	1.9
292.98837	8.8
297.99432	1.2
298.97766	82.3
299.98041	2.5
300.98071	1.1
301.01093	12.6
302.01318	1.4
303.01089	1.2
316.98837	100.0
317.98859	4.1
332.96976	1.0
334.99823	2.1
340.00400	2.7
340.98877	3.0
356.96964	1.9
359.00000	6.2
370.32663	0.8
374.98193	3.4
380.96954	1.6
398.97998	3.9
401.01257	1.5
416.98975	10.6
422.97864	5.8
425.01138	1.4
440.98941	84.6
441.99045	4.0
443.02161	2.2
445.01849	0.8
455.46512	0.8
458.99960	76.2
460.00174	5.1
473.01566	1.2
482.01642	4.0
483.00696	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	483.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
68.24672	0.6
69.03439	1.5
70.24562	0.6
71.54085	0.5
71.54558	0.7
75.84678	0.6
77.00890	1.0
81.03418	0.8
82.99888	1.8
85.02917	1.9
89.03923	1.4
91.05473	1.2
94.99344	0.5
94.99870	1.3
97.02899	1.7
98.97584	2.4
101.00886	15.8
109.02883	1.3
113.00873	4.5
113.18697	0.6
115.02462	1.1
117.03387	1.2
119.01929	24.6
119.04955	2.4
120.08119	0.7
121.01624	0.9
127.02415	4.2
127.03878	0.9
129.03989	1.4
131.01917	14.8
132.02077	0.9
133.03458	2.2
135.04388	1.5
137.00905	0.7
137.02986	2.1
139.02406	2.0
139.03912	0.8
141.00327	0.9
143.01903	23.7
145.03526	11.3
145.78691	0.6
147.01419	1.6
147.04358	9.3
149.02985	2.9
155.01907	25.6
157.03473	8.8
158.99631	0.8
159.01424	1.8
161.02969	23.1
162.03067	0.9
163.03833	8.0
167.01910	10.8
169.03441	5.1
171.05034	3.1
173.02974	40.7
174.03096	0.8
175.04521	2.9
177.00858	1.1
177.02386	5.0
179.01929	4.1
181.03467	1.3
183.01427	2.5
183.05046	2.4
183.40303	0.6
184.04459	0.7
185.02965	45.8
186.03093	1.3
187.04547	9.4
189.06142	1.2
191.03925	1.3
195.01501	0.7
195.03445	0.8
196.04593	1.4
197.02963	16.6
197.04793	1.0
199.04550	2.6
201.02452	56.2
201.05907	2.9
202.02592	0.9
203.02248	1.1
203.04018	12.5
208.04607	1.1
209.02931	3.6
213.02446	12.4
213.05728	0.7
215.04025	10.5
219.03517	94.4
220.03766	2.6
221.05067	3.2
224.04135	0.8
225.02438	1.5
227.04018	11.9
228.04117	0.7
229.05566	1.7
231.03523	12.0
231.07123	0.9
232.03650	1.0
233.05150	1.8
237.02505	2.0
237.04578	2.1
239.03992	0.9
242.05107	2.5
243.03667	4.2
243.07158	0.7
245.05086	100.0
246.05240	2.6
249.04594	8.0
253.07768	1.0
255.03638	5.2
257.05121	5.7
261.04599	16.5
261.08395	1.0
263.06165	11.5
267.03278	0.6
267.11246	1.2
273.04581	2.2
275.06149	13.1
276.06049	0.8
277.07709	3.5
277.75699	0.6
279.05728	5.0
285.04654	3.0
285.12149	0.6
286.07809	1.0
289.07718	2.1
291.05670	1.0
291.09076	1.5
293.07120	3.6
295.08691	1.4
303.05661	26.0
303.09155	1.5
303.13098	1.2
304.06015	0.9
305.07135	10.2
307.08774	1.4
321.06711	37.9
321.10602	2.9
322.07071	0.9
335.08307	3.0
339.07755	0.7
344.08331	0.9
363.07654	1.6
365.09259	8.9
455.99292	0.6
483.11166	17.7
483.17328	4.9
484.12469	1.2
509.36255	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.5
55.05500	4.4
57.03429	10.0
61.02910	1.5
62.79547	1.5
65.03946	1.9
67.05522	3.8
69.03088	1.8
69.03436	26.8
69.07066	8.8
71.05014	7.8
73.02931	6.3
79.05491	6.0
81.03410	4.6
81.07066	16.3
83.04976	2.4
85.02425	2.6
85.02908	27.1
86.06117	1.6
87.04479	14.9
91.05489	5.8
93.07044	18.3
95.04964	2.3
95.08615	6.9
97.02903	27.1
97.06570	3.0
98.97581	3.2
99.08100	3.9
103.05447	1.7
105.07037	6.3
107.04958	5.2
107.08604	14.2
108.05255	2.3
108.08116	3.7
109.06516	2.8
109.10153	3.1
115.03947	26.6
117.07010	2.3
119.08594	5.6
120.08123	6.9
121.02836	4.1
121.10173	2.9
122.03197	2.2
123.08092	2.1
125.13268	2.2
126.03728	1.7
127.03912	5.6
131.08553	1.7
133.04974	25.0
133.10149	3.3
135.11705	23.7
145.04976	4.2
147.04402	2.8
147.11722	2.4
153.12755	100.0
158.02713	3.8
161.13324	3.2
163.06108	2.1
165.12738	3.0
165.97836	1.7
177.12779	2.4
195.13759	2.3
203.03400	9.4
204.03780	2.5
211.09718	2.4
241.07393	1.9
259.07941	2.0
271.19055	3.7
279.06665	1.8
285.06366	1.7
285.17081	5.9
294.08328	3.0
295.06006	2.1
295.10123	2.2
308.06522	4.6
309.07257	4.1
310.07947	2.5
315.18079	4.8
321.07574	6.3
322.07944	16.2
323.08780	2.0
334.08078	3.7
335.08939	1.9
336.09619	3.7
349.07071	4.1
350.07336	13.0
351.04663	3.9
351.08612	3.4
352.09122	3.9
361.06693	1.9
364.08871	3.2
367.04309	1.7
377.06573	2.4
378.06799	3.9
379.07831	2.9
380.08591	5.1
392.08224	2.4
405.05942	2.0
436.11154	3.9
438.24207	4.3
446.09378	3.0
464.10611	14.1
482.11642	22.7
482.23154	6.0
507.16696	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01869	2.5
55.05494	7.1
55.90510	1.4
57.03432	7.0
61.02921	3.0
65.03913	1.5
67.05500	12.5
69.03421	5.3
69.07056	4.3
69.62069	2.5
69.62476	7.4
70.06585	2.0
71.04984	4.1
73.02891	1.7
79.05497	11.4
81.02991	2.6
81.03426	34.5
81.07061	16.2
83.04966	7.0
83.08626	13.6
85.02913	19.4
87.04440	1.9
88.61415	1.6
91.05484	16.1
93.07041	10.8
95.04980	12.6
95.08608	5.6
97.02902	7.9
97.06554	3.4
98.20733	1.9
105.07038	11.4
107.04933	5.4
107.08579	6.8
109.02858	2.3
109.06508	3.6
109.10149	3.2
110.07191	2.0
111.04427	3.1
111.08063	5.1
115.05377	1.7
119.08576	11.2
121.02890	2.3
121.10147	6.5
123.08067	2.0
127.03914	2.9
129.07016	5.3
131.08572	7.4
133.06500	2.0
133.10176	7.5
135.11676	4.0
147.11687	10.3
149.09583	3.0
153.12726	7.3
157.10156	9.5
158.02667	1.9
164.07053	1.9
165.12851	2.0
175.11174	9.8
193.12248	35.8
203.03395	3.7
211.13300	28.5
221.04274	1.9
267.15869	11.3
270.00879	1.6
285.16977	100.0
286.17291	2.0
303.13403	1.9
322.08029	7.9
350.07288	4.8
352.08771	3.7
380.08398	2.6
464.10413	5.8
482.11841	10.0
482.22388	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	482.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.4
55.05499	5.0
57.03428	3.7
61.02925	1.8
64.97564	1.4
67.05508	12.9
69.03429	1.7
69.07053	9.4
70.04230	1.4
70.20451	5.8
71.04999	3.7
78.71959	1.3
79.05485	9.6
81.03419	2.3
81.07062	47.6
82.07361	1.4
83.04994	2.4
83.08614	5.4
85.02913	5.2
85.06551	4.1
91.05480	11.6
93.07047	7.6
95.04999	3.7
95.08621	14.0
97.06533	4.4
99.08073	2.5
99.95861	1.4
105.07028	22.3
107.08601	9.7
109.06503	2.5
109.10162	3.1
110.69469	1.4
117.06984	1.6
119.08588	16.9
121.10143	14.5
123.08070	1.9
123.11713	21.3
124.03932	2.0
127.07573	2.0
131.08553	1.6
133.10112	4.4
137.05972	2.4
137.13312	2.3
145.10167	3.6
147.11694	49.0
151.41211	1.7
157.10136	2.6
159.11710	2.7
165.12788	18.4
183.13863	2.9
193.12280	2.5
227.08264	1.8
229.14377	5.9
245.06332	2.1
267.15921	44.9
269.42477	1.4
285.16977	100.0
286.17493	1.7
289.05325	35.7
290.05695	9.4
438.21451	2.3
464.26602	1.7
475.28918	1.6
482.20862	25.3
483.21875	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	482.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26943	1.8
53.03934	4.3
54.17686	2.2
55.01859	8.0
55.05499	8.2
56.86757	2.0
56.96567	2.7
57.03421	4.5
57.07076	11.7
59.04993	3.9
61.02930	3.7
67.05492	5.3
68.99805	2.8
69.03446	18.5
69.07074	53.6
71.04994	3.9
71.08621	9.1
71.13980	5.1
73.02912	6.8
73.06545	8.1
75.55078	2.1
79.05506	2.8
80.05829	2.2
81.03430	17.3
81.07046	6.8
81.30628	2.2
82.07402	2.5
83.08595	4.5
85.02433	3.4
85.02914	46.7
85.10184	3.5
87.00837	21.5
89.06032	25.2
93.07040	5.4
97.02903	32.3
99.04449	6.8
105.01875	30.5
105.07059	3.1
107.08654	2.4
109.02874	17.1
109.10162	3.9
111.11729	82.0
119.08546	2.5
125.15920	2.3
127.03918	41.3
129.01881	2.7
129.12772	100.0
145.04985	20.2
147.02934	3.0
147.11668	2.4
159.02911	8.2
159.11588	2.4
199.16898	17.4
213.03923	3.5
217.18033	12.6
230.39821	2.2
231.04929	11.2
385.92438	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	482.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07212	0.9
55.01886	0.9
55.05510	3.4
57.03434	3.6
58.74092	0.8
61.02916	3.0
67.05512	12.1
69.07067	6.6
71.04995	2.1
71.55711	1.6
73.02924	1.4
76.78967	1.0
79.05504	6.2
81.07065	34.4
83.04964	2.6
83.08622	4.8
84.90156	1.0
85.02896	2.4
85.06549	2.4
91.03939	1.9
91.05054	0.9
91.05499	9.8
93.07042	4.1
95.04971	1.2
95.08625	9.2
97.02935	1.7
97.06529	3.5
99.08109	2.6
105.07043	19.9
107.08600	6.7
109.06516	3.2
109.10140	1.8
119.08586	15.6
121.10153	11.3
123.08173	2.0
123.11716	16.8
127.03927	1.8
127.07500	1.5
128.39540	0.9
133.10124	2.8
137.05862	1.2
137.13255	1.6
147.10513	2.1
147.11697	40.4
157.10080	1.6
161.47697	0.9
165.12767	18.1
175.11209	1.8
183.13797	1.8
193.12328	1.7
229.14372	6.1
267.15948	29.8
285.16983	100.0
286.17291	1.2
447.22485	2.3
482.11548	1.3
482.20294	3.0
483.21927	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12137	0.5
59.45675	0.6
65.80310	0.7
67.05385	0.6
69.32446	4.0
69.32858	1.4
78.27446	0.6
79.05360	1.4
81.06894	1.6
84.07975	0.6
85.06359	0.6
91.05313	1.6
91.05834	0.7
93.06860	2.4
95.08425	2.2
101.00685	0.8
105.06850	4.2
105.07598	1.1
107.08429	3.7
108.36668	0.6
112.51260	0.5
119.08395	3.3
133.09937	5.1
135.11508	2.9
143.01770	0.7
147.11520	1.0
152.67943	0.6
166.04921	1.0
175.14635	1.6
178.73169	0.7
194.04382	1.2
200.14986	0.8
203.05167	1.8
215.14168	0.8
220.78293	0.7
227.05171	1.4
229.01787	0.7
245.06328	5.9
287.03745	1.2
289.05325	100.0
290.05670	1.2
301.11862	9.4
319.12930	4.9
437.21555	1.3
463.19748	1.6
481.20999	29.4
482.21466	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.3
67.05484	2.2
69.03410	0.7
69.07042	2.2
71.04983	1.3
71.55439	0.6
79.05478	1.3
81.03405	0.7
81.07064	7.0
83.08598	0.8
84.97667	0.5
85.02873	1.4
91.05463	2.1
93.07081	2.7
95.08617	4.1
97.02876	0.8
98.97580	0.6
101.99162	0.5
105.01901	0.6
105.07050	5.2
107.08611	3.6
109.10130	1.9
119.08594	7.7
121.10133	1.1
123.11719	1.4
129.12747	1.0
131.08650	0.7
133.10146	10.1
135.11723	3.5
137.05971	2.5
145.10132	1.3
147.08102	0.6
147.11639	1.6
151.07542	0.8
159.11729	0.7
167.07076	1.2
175.14835	4.8
185.04193	0.8
191.17929	0.6
203.05341	3.1
215.14343	2.4
225.11176	0.5
227.05206	0.7
233.11725	2.4
233.15257	1.6
245.06358	7.8
267.15869	1.0
285.17068	2.1
289.05325	96.1
290.05716	1.5
309.07684	0.6
359.85342	0.6
361.64746	0.6
395.20544	0.7
432.74747	0.6
437.21451	10.7
481.20496	100.0
482.21170	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13998	0.5
55.05518	3.5
56.96563	0.9
57.03440	1.3
57.07076	1.5
61.02919	0.8
67.05510	4.6
68.90205	0.5
69.03429	2.3
69.07072	4.3
70.06587	0.6
71.04990	1.1
71.06029	0.7
71.06370	1.0
72.20279	0.5
79.05493	1.8
81.07059	9.3
82.07392	1.2
83.05000	0.7
83.08615	1.4
85.02909	3.0
85.06564	1.4
87.00839	0.7
91.05499	2.9
93.07037	3.2
95.04960	0.7
95.08620	7.0
97.02906	1.3
97.06544	0.7
97.10167	3.5
98.97596	2.0
99.08109	1.5
105.01828	1.2
105.07027	2.9
107.08593	4.4
107.96718	0.6
109.02892	1.9
109.06526	1.5
109.10162	6.8
115.11231	1.7
115.48421	0.6
119.01938	1.1
119.08582	4.3
121.10156	3.9
123.08084	1.2
123.11712	2.5
127.03925	1.7
127.11201	8.2
131.08635	1.1
133.10147	11.0
135.11655	2.9
137.05966	3.6
137.09624	3.7
137.13266	1.4
143.01938	0.6
145.10149	1.4
145.12219	1.1
147.11739	1.2
149.09634	0.7
157.10150	1.0
159.11633	0.7
161.02998	0.8
161.09624	0.6
167.07040	0.7
173.09618	0.9
175.14868	2.1
187.01006	0.7
191.48578	0.7
193.15866	1.5
215.14293	1.5
219.01810	1.1
227.05295	0.8
233.11697	1.3
233.15204	4.6
233.17329	0.9
237.02901	1.0
245.06393	2.6
271.04428	1.8
287.03772	1.1
289.05322	15.0
335.16901	0.7
377.19446	0.9
379.16519	0.6
384.85605	0.7
395.20221	2.4
437.21515	10.6
481.20517	100.0
482.20795	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	481.205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62854	0.7
53.03936	0.8
55.05511	2.3
56.96566	1.4
57.03438	2.4
57.07072	1.7
61.36283	0.6
67.05495	4.7
69.03440	3.8
69.07069	4.0
70.07401	0.8
70.08122	3.0
71.05003	0.8
71.08646	0.9
71.21884	0.6
73.02917	2.7
74.87212	0.7
75.91360	0.8
77.02216	0.7
79.05494	2.7
81.03432	3.0
81.07059	8.0
83.04970	1.0
83.08622	2.1
85.02893	3.9
85.06552	2.1
86.03209	1.3
87.04452	0.9
89.00103	0.7
91.05479	3.5
93.07043	6.6
95.04904	1.0
95.08627	5.5
97.02902	2.4
97.06544	0.9
97.10181	1.3
98.09554	0.8
98.21493	1.1
98.97582	1.0
99.04446	0.9
99.08101	9.3
99.65308	0.7
103.23648	0.7
105.07042	4.1
107.08587	5.3
109.06555	0.8
109.10166	6.4
111.04482	0.9
115.03956	1.4
117.07021	1.0
119.08605	2.8
121.10149	2.9
123.11708	3.8
124.12012	1.1
127.03937	1.5
129.07033	0.8
131.08585	1.5
133.10152	4.2
135.11711	3.2
137.05972	4.8
137.09616	1.5
137.13220	0.7
139.03961	1.2
143.03403	1.2
143.08621	0.9
145.10152	1.6
147.11691	1.2
149.13307	1.3
151.03993	0.7
151.11182	2.2
152.11562	1.6
157.10185	0.8
160.97966	0.7
161.09668	0.8
163.11220	1.1
167.07068	1.2
185.04269	1.3
193.12283	0.9
193.15982	1.8
203.05276	1.3
215.14334	1.6
233.15228	2.0
245.06360	4.8
283.26480	1.5
289.05316	23.2
293.15991	1.0
309.11725	0.7
395.20288	4.3
437.16614	0.5
437.21448	22.5
481.20511	100.0
482.20862	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	481.205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79704	0.3
55.05499	0.6
57.03425	0.3
58.60362	0.4
58.79816	0.4
69.03429	0.5
69.07072	0.9
69.51794	0.9
69.52207	2.0
73.55617	0.4
79.05508	0.6
81.07059	1.3
83.08595	0.5
85.02915	0.8
91.05458	0.6
93.07047	0.9
95.08612	1.2
96.95021	0.3
105.07030	0.9
107.08623	1.0
109.10162	1.1
109.62473	0.4
116.77163	0.4
119.08612	1.1
121.10205	0.7
123.11765	0.7
127.03966	0.6
131.08650	0.4
133.10133	1.6
135.11708	2.1
137.05968	1.8
145.10078	0.5
167.07066	0.4
185.04210	0.4
206.65025	0.4
233.15164	2.4
245.06474	1.8
251.14969	0.8
261.14655	0.8
270.52231	0.4
271.04269	0.4
289.05301	3.7
293.16043	0.6
317.08572	1.2
325.92358	0.4
342.76331	0.4
358.62604	0.4
377.19458	0.8
395.20386	9.2
419.19983	0.4
437.21457	27.2
438.21893	1.0
464.02637	0.4
481.20566	100.0
482.20871	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	480.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71434	0.8
53.03955	0.8
55.05520	9.9
56.96566	1.6
57.03448	7.7
57.07088	4.7
61.02924	1.2
67.05511	9.8
69.07076	18.1
71.04987	1.0
71.08640	3.6
71.34338	1.5
79.05504	4.5
81.03420	0.9
81.07070	10.7
83.04989	0.8
83.08632	10.9
85.02907	0.8
85.06545	0.9
85.10170	1.5
91.05512	1.1
93.07048	6.4
94.76671	0.7
95.08624	10.4
95.97818	0.7
97.02895	0.9
97.06534	1.4
97.10178	5.7
98.97590	1.4
107.08627	4.3
109.10181	4.4
110.97571	0.7
111.08138	1.1
111.11725	1.4
113.18921	0.7
121.10162	5.3
123.11673	1.3
135.11711	4.8
139.11194	0.7
149.13309	2.0
163.14838	0.8
213.35304	0.7
216.06432	1.0
247.24388	1.1
265.25211	0.8
267.09100	3.1
277.26501	0.7
285.10144	2.5
286.10501	1.3
308.29507	3.4
311.28522	0.8
315.11044	1.1
315.61258	0.8
317.18002	1.3
318.18423	1.5
324.61697	1.2
339.28986	100.0
340.29474	3.3
340.63217	0.8
349.66174	1.4
350.16095	0.8
454.72766	0.8
455.22546	0.9
480.33597	1.0
481.31418	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3088
Annotation	1-18:1-lysoPE
Peak:m/z	Relative Intensity
55.05522	14.9
57.03428	4.8
57.07078	5.4
62.05822	2.6
62.06095	25.6
67.05518	12.4
69.07074	18.2
71.08633	2.3
71.54962	3.2
78.69617	2.4
79.05492	4.5
81.07055	9.9
83.08619	13.1
91.05482	2.5
93.07050	7.1
95.08605	10.8
97.10193	6.4
98.06068	1.9
98.98466	8.7
102.66865	2.2
107.05007	3.3
107.08590	4.1
107.67995	2.3
109.10153	4.2
121.10163	5.2
132.01680	1.8
135.11728	4.9
155.01056	9.0
156.12462	2.0
198.05263	2.8
216.06355	2.7
265.25452	3.2
308.29568	14.7
339.28967	100.0
349.66385	2.6
419.25211	2.5
462.29715	2.3
480.30023	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	481.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	2.1
55.01878	2.1
56.96574	3.7
57.94236	1.2
65.03967	2.0
66.66562	1.3
68.99802	3.8
70.98132	2.3
71.54575	2.2
81.03467	1.5
85.02919	1.7
91.05500	2.9
98.97591	40.9
111.00786	1.6
111.04462	1.2
116.98635	15.5
119.04961	3.4
121.02898	5.8
123.04461	10.5
126.26428	1.2
127.03931	28.0
128.98636	2.3
131.00183	2.6
133.02826	1.8
134.03703	1.9
134.42995	1.4
134.99680	4.0
139.03909	100.0
143.76886	1.2
147.04413	10.0
148.04849	1.2
149.02371	1.6
150.03165	1.4
151.03920	23.7
158.99648	6.4
162.03160	5.3
163.03885	11.6
165.01938	3.2
167.03406	2.9
169.81747	1.5
173.06059	1.3
174.99184	3.4
175.03943	2.6
177.00633	30.5
177.01927	6.0
177.05557	1.4
179.03418	36.0
179.04921	2.3
187.03929	1.4
189.05452	1.5
191.03465	5.3
193.00252	4.4
195.01788	10.2
195.03163	4.9
197.05992	1.4
203.03381	6.5
205.05077	2.4
207.03029	2.0
209.44478	1.3
213.05557	2.8
215.03392	1.5
219.02979	5.4
223.02414	4.0
231.03052	2.2
233.04585	2.8
235.01193	11.0
241.05170	2.4
245.04486	2.6
247.01199	7.9
253.02457	7.5
253.04875	2.2
259.02515	2.0
261.03989	1.6
265.02328	22.5
265.04971	2.1
269.04498	2.3
271.06085	3.4
275.00925	2.5
275.08087	3.3
279.05145	7.5
287.05515	93.1
288.06284	25.1
289.06598	2.3
293.01889	4.4
295.04453	3.2
297.06119	2.6
299.05634	1.6
305.06537	1.7
307.06946	3.5
311.05948	1.4
313.05453	1.6
319.04480	13.2
325.05569	6.2
337.05786	4.5
365.05356	2.8
405.07059	2.4
427.06796	2.8
445.07556	7.0
448.63531	1.4
460.00400	1.4
463.17276	1.5
481.18335	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67301	1.8
55.01876	2.4
57.03439	46.2
59.04980	1.9
61.02934	13.9
61.16179	2.0
64.52522	1.7
66.50834	2.0
67.05505	5.2
69.03436	53.1
69.07071	70.0
69.38393	3.8
69.38798	11.0
71.01344	7.0
71.05008	4.4
73.02921	100.0
74.29108	1.9
79.05506	2.5
81.03412	6.2
81.07060	26.7
85.02909	65.7
87.04482	3.3
91.03967	1.8
93.07047	3.2
95.04974	2.0
95.08614	5.2
97.02896	89.0
97.03529	4.4
98.20778	3.3
99.04444	2.2
106.80379	1.8
107.08611	3.3
109.02879	5.4
109.10178	10.2
115.03938	72.2
121.10124	2.7
123.11710	86.4
123.99077	2.6
127.03926	27.0
133.04974	19.1
137.05988	3.9
144.06584	5.0
145.04968	24.7
151.03958	1.8
151.11189	88.0
162.07687	2.5
163.06033	5.8
169.12207	9.8
180.08667	2.7
223.06052	5.7
241.07132	8.5
259.08298	6.5
268.28094	2.1
283.15399	20.4
313.16373	5.1
480.19135	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	480.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03582	4.4
55.05511	5.7
56.96573	11.1
57.03431	25.6
59.04997	4.7
65.08318	4.6
65.86835	4.5
67.05488	17.8
69.03433	71.8
69.07079	49.0
69.61803	26.2
71.04990	5.6
73.17929	5.1
75.04471	9.2
79.05497	14.9
81.03394	11.2
81.07059	45.4
85.02913	61.0
87.04465	52.2
91.05501	8.9
93.07050	7.1
94.85109	5.0
95.04921	7.2
95.08614	15.1
97.02903	85.0
99.04478	6.2
107.08594	8.9
109.02871	4.8
109.10144	14.2
114.50557	5.1
115.03937	80.8
118.00886	5.2
120.08071	5.2
121.10141	5.4
123.11712	49.7
126.72173	4.2
127.03906	16.2
133.04973	100.0
137.13300	7.3
145.04970	8.1
151.11165	41.5
169.12215	5.3
209.67545	5.9
247.13348	7.4
259.08179	5.5
278.01282	5.2
283.15277	9.9
480.20200	10.8
480.26245	6.1
481.20343	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	480.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	12.1
55.01869	8.5
55.05512	30.1
57.03439	17.3
61.02954	5.8
67.05508	38.0
68.05869	6.5
69.03436	21.7
69.07062	40.5
70.01749	27.9
71.04999	9.1
79.05482	33.9
80.05830	6.7
81.03411	28.8
81.07066	100.0
82.07380	14.1
83.08627	27.6
85.02901	57.4
85.06499	10.9
87.00839	15.5
91.05476	37.4
93.07033	36.4
95.04995	17.9
95.08603	76.4
96.08963	7.5
97.02901	39.1
97.06518	10.6
105.01888	13.5
105.07039	27.8
107.04959	15.0
107.08605	20.9
109.02862	33.5
109.06507	10.5
109.10161	25.6
119.08595	14.1
121.10160	17.2
123.08065	14.8
123.11744	8.1
127.03934	56.2
129.07080	7.0
131.08582	8.8
133.10162	16.3
135.11693	11.1
137.06010	9.3
137.13281	22.6
147.11699	7.5
149.13277	15.9
151.14822	26.4
157.10109	8.7
161.13268	28.0
169.15962	11.5
176.15752	7.3
179.14351	26.7
185.15417	23.4
197.15356	35.1
215.16418	51.3
231.05061	8.7
233.15367	16.9
247.01820	7.6
307.40350	6.5
388.24951	7.9
406.26007	8.4
462.28568	28.8
479.76151	9.2
480.30078	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	480.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.0
55.01866	5.7
55.05511	17.9
57.03429	3.6
57.07066	7.9
61.02924	7.8
64.53494	1.8
67.05497	22.7
68.99810	3.2
69.03436	31.2
69.07069	10.5
70.00935	9.8
71.04993	4.5
73.02911	5.5
79.05492	4.2
81.03424	20.3
81.07059	53.8
82.39774	2.4
83.08613	14.7
85.02908	100.0
87.00839	50.3
95.08610	74.8
96.23450	1.9
97.02893	29.3
97.10172	20.5
98.20864	3.5
99.04447	12.0
99.08089	2.8
105.01870	84.5
105.02583	4.5
107.08561	2.3
109.02888	30.5
109.10160	83.5
111.57159	2.1
115.11201	3.6
117.01889	3.5
121.10117	2.5
123.11710	88.3
125.13427	2.1
126.05485	2.4
127.03926	76.1
129.70473	2.1
135.11684	3.2
137.13260	28.2
139.14803	2.3
145.04961	27.9
145.10153	2.9
159.02936	9.1
163.11273	4.6
179.17955	62.8
189.03941	4.1
197.19012	44.9
205.50310	2.0
213.03810	2.8
227.12796	5.9
231.04974	28.3
231.59933	2.2
249.06100	14.8
283.15424	10.2
318.07126	3.5
449.64026	1.9
466.12555	2.1
480.18915	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.7
65.03934	4.1
69.03419	3.0
69.43417	3.6
69.43834	10.6
70.06590	2.5
79.05495	5.9
85.02896	3.3
91.05485	64.1
93.07053	2.5
95.04972	4.6
97.02906	2.2
103.05479	8.0
105.03409	13.9
105.07038	12.8
107.04960	10.2
108.05735	2.2
109.06521	12.9
115.03933	3.2
115.05502	3.0
117.07011	2.7
118.04239	2.1
119.04950	93.3
119.08604	2.1
121.06511	4.1
122.03668	4.7
123.08075	5.3
123.11716	2.0
129.07033	2.6
130.04193	2.2
131.04944	7.8
133.02864	2.1
133.04964	3.2
133.06490	12.3
135.08006	2.7
136.05219	2.3
137.02390	5.8
137.05988	100.0
138.86348	2.1
145.06494	4.7
147.04419	32.3
147.08052	3.8
149.05989	7.7
150.06725	3.3
151.07553	43.2
151.11215	2.3
159.08125	3.0
160.05266	1.9
160.18887	1.9
161.06001	36.2
162.06839	12.5
163.07512	3.1
165.05464	3.8
169.04962	6.4
175.07576	27.9
179.07040	45.0
179.08554	2.7
187.07530	15.1
191.08507	2.5
193.03188	11.0
193.08620	8.7
203.03430	3.7
203.08615	2.8
205.08626	22.5
219.08142	3.5
219.10185	1.7
235.09660	5.9
244.09464	4.3
245.09998	3.2
247.07507	3.7
251.10649	3.7
276.07959	2.0
279.10202	5.8
296.10556	2.2
309.11212	19.3
311.12704	9.0
321.07755	3.5
329.13821	4.6
333.07333	3.2
341.13959	9.6
347.09186	2.4
349.07178	4.2
375.08655	3.3
379.08298	2.9
380.16333	2.4
397.09204	5.9
403.08234	2.9
423.74289	2.0
442.25119	2.0
463.10074	2.4
480.32803	2.5
481.11487	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	480.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61495	1.2
52.71147	1.3
53.03940	1.6
53.19054	1.2
55.05506	5.8
56.96323	2.0
56.96575	15.5
57.03430	1.4
57.07088	1.4
61.02926	3.6
67.05509	18.4
68.05836	2.8
69.03410	1.3
69.07079	9.1
69.71026	7.4
70.07401	1.5
73.02892	1.7
75.05093	1.1
78.91212	1.1
79.05502	10.9
80.05833	3.1
81.03403	4.1
81.07064	24.0
82.07394	4.3
83.04989	2.7
83.08606	3.9
85.02897	4.3
85.06564	2.0
91.05510	7.9
92.05786	1.4
93.07053	14.0
94.07379	2.9
95.04961	4.3
95.08630	6.4
96.05302	1.7
97.02860	2.6
97.06535	3.1
98.97549	3.8
105.07050	7.8
106.07391	3.3
107.08608	6.9
108.08920	1.8
109.02878	1.4
109.06542	2.0
109.10143	2.7
117.07059	1.2
119.08578	3.5
121.10149	5.9
122.10474	2.3
123.11709	3.6
124.12037	1.9
131.08542	1.6
133.10121	2.8
135.11649	2.1
147.11679	7.1
148.12021	4.0
149.13272	4.1
159.04373	1.6
165.12781	5.0
166.13202	2.0
177.00644	1.6
177.02255	1.3
177.05466	2.2
178.05873	1.8
180.57645	1.5
182.99736	2.0
184.59999	1.4
191.00185	1.4
193.12251	2.0
194.12576	1.2
195.03323	1.7
195.13904	1.4
195.99066	1.2
201.00722	2.2
205.05013	5.5
206.05287	6.6
206.99646	5.0
207.05463	3.1
211.13226	1.8
219.01631	1.4
221.01277	1.5
222.07733	6.7
223.07971	9.4
224.08185	4.2
225.00702	11.3
225.04170	1.4
226.98616	3.2
229.00084	2.2
229.14377	1.5
233.84190	1.3
240.21619	1.4
243.01804	7.5
245.08385	2.6
253.00204	3.0
259.06454	5.5
261.02777	1.6
263.09631	9.5
267.09201	1.6
267.15884	3.0
268.16251	2.4
277.07486	8.1
285.10129	1.7
311.09509	1.7
317.03467	1.9
323.02151	2.5
324.61676	2.4
329.03424	4.6
329.10739	1.4
337.07452	2.4
341.03464	13.0
347.04309	1.6
349.16794	1.6
355.08582	5.2
359.04425	4.6
373.09534	1.9
379.03891	2.4
379.08536	31.8
397.09625	100.0
398.10272	2.2
415.10675	33.4
420.11121	16.2
433.11783	2.0
438.12564	1.9
439.10526	2.1
452.05054	1.5
479.29941	2.0
480.25998	6.0
480.30600	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	479.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44677	2.9
53.03944	13.4
55.01868	13.2
55.05515	32.9
56.96555	5.0
57.03440	39.9
57.07066	8.3
61.02921	8.0
65.03927	6.6
67.05508	100.0
69.03430	55.9
69.07078	34.6
71.01355	7.7
71.04999	13.6
71.55429	5.5
73.02911	14.5
79.05501	70.4
81.03424	49.8
81.07060	90.4
81.07526	6.1
83.04982	13.6
83.08614	16.3
85.02908	36.1
85.06552	5.0
87.04453	8.6
91.03961	3.5
91.05484	67.1
91.06017	5.0
93.07043	70.5
95.04961	18.4
95.08615	63.6
96.08985	4.0
97.02902	26.9
97.06532	8.0
97.10162	6.8
99.04459	15.2
103.03954	9.1
103.05495	3.8
103.67532	3.2
105.07040	60.5
107.04974	8.9
107.08610	44.6
109.02891	20.7
109.06540	6.0
109.10148	34.8
111.04468	11.6
111.08085	7.0
115.03983	6.9
115.05450	3.5
117.07018	31.7
119.08586	48.8
121.06493	8.8
121.10147	33.7
123.04482	6.1
123.08087	9.4
123.11718	9.7
125.09638	5.0
127.03905	27.6
128.06238	7.2
129.05501	6.8
129.07016	20.2
131.04987	3.7
131.08582	42.0
133.06502	13.3
133.10146	29.8
135.08054	6.9
135.11696	24.6
137.06070	3.3
137.09639	4.9
137.91640	3.4
139.03970	4.0
141.07027	4.8
142.07811	4.5
143.08542	17.1
145.04965	10.1
145.06523	8.4
145.10159	31.2
146.99625	3.5
147.04401	3.3
147.08069	9.9
147.11710	20.7
148.39067	3.1
149.06017	6.3
149.09616	6.1
149.13268	12.8
150.11302	3.4
150.12471	3.6
155.08577	10.4
157.06508	6.3
157.10150	16.0
159.08093	8.3
159.11696	22.3
161.05942	3.3
161.09607	6.8
161.13263	12.0
162.44975	3.2
163.11234	4.2
163.14856	5.0
167.08496	4.7
169.10156	7.6
171.08070	6.0
171.11737	16.5
173.09645	4.9
173.13226	19.7
175.11174	5.3
175.14771	5.7
177.12743	4.1
181.10147	4.7
183.06563	7.5
183.11703	8.8
185.09715	4.4
185.13277	12.8
187.11212	6.4
187.14771	7.9
195.11676	3.3
197.13286	7.4
199.11206	6.4
199.14850	5.2
201.07603	7.2
201.12704	3.8
211.14745	3.7
215.14337	4.3
221.15152	3.4
241.19389	3.8
243.21121	4.6
259.20602	8.7
261.22150	7.5
273.22116	6.2
285.22012	4.4
299.07913	6.5
301.21777	4.8
303.23346	5.8
306.27847	3.6
307.28223	15.9
315.23239	6.8
327.23288	9.4
331.10403	5.5
335.25726	6.0
337.27457	6.1
338.27652	39.0
341.24835	11.3
345.24411	5.7
351.23322	11.7
357.24277	3.8
359.26016	4.3
369.24191	26.1
379.33035	3.3
387.25275	26.4
395.79248	3.2
405.26346	6.0
419.27863	4.4
431.28076	5.7
443.28143	20.2
461.29047	47.3
479.17535	3.2
479.30060	63.8
480.30240	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	479.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.7
55.01875	6.7
57.03439	4.6
61.02924	6.8
67.05524	4.7
69.03132	3.8
69.03437	39.6
69.07072	6.0
71.05005	5.7
71.55901	4.0
71.63260	2.8
73.02921	3.7
79.05492	4.9
81.03429	23.3
81.07044	5.6
85.02913	100.0
87.00838	39.9
91.05514	3.4
93.07043	7.9
95.04943	4.7
95.08605	7.3
97.02897	21.1
99.04443	9.8
105.01876	56.7
105.07059	3.7
105.72446	2.7
107.08574	9.9
109.02895	29.0
109.10155	4.8
121.02976	3.1
121.10157	13.4
127.03081	5.3
127.03933	60.5
135.11685	5.9
145.04994	17.2
148.69145	3.7
159.02919	5.2
165.16402	3.2
177.16396	18.2
195.17468	16.7
213.03899	3.9
213.18393	3.1
229.09164	3.3
231.04974	18.5
249.10120	4.8
250.10750	5.3
251.11755	5.4
252.12196	3.9
263.11618	5.5
264.12192	8.1
265.13321	10.7
266.13654	17.6
278.10123	5.7
279.11288	7.1
280.11615	15.9
296.11057	4.4
302.03845	3.8
309.12360	7.9
310.12784	20.6
311.13419	11.8
317.06644	20.6
320.11206	3.8
337.11905	14.7
338.12283	58.9
339.13031	27.1
479.19205	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	479.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
54.26595	0.7
55.01859	2.0
55.05515	5.7
56.05851	1.4
57.03445	1.6
58.99860	1.3
66.41060	0.8
67.05509	6.8
69.03412	0.8
69.07064	2.6
69.75241	1.5
69.75657	2.5
77.00908	4.0
79.05499	6.3
80.05830	1.7
81.03415	1.6
81.07058	7.5
82.07411	1.3
83.04968	1.1
83.08614	4.1
83.69857	0.6
85.01385	1.1
85.02928	0.7
91.05503	4.6
92.05833	1.3
93.07047	3.0
95.01952	1.7
95.04964	2.8
95.08619	3.4
97.06537	1.0
97.10146	3.7
98.10503	1.5
98.21574	1.4
100.53041	0.7
102.06084	0.7
103.02423	1.1
105.07027	2.7
106.07361	0.8
107.04942	2.8
107.08618	4.0
108.05291	1.3
108.08952	1.4
109.06542	1.6
109.10163	1.5
111.08026	0.9
117.07009	1.1
119.08577	2.1
121.06498	2.3
121.10153	0.7
121.68009	0.6
123.02966	0.9
125.09631	2.7
126.09972	1.8
129.07033	1.4
131.08597	1.8
132.08917	1.1
133.10138	1.2
135.11749	0.8
139.02269	0.7
141.03993	4.1
143.05554	1.4
145.06500	1.2
146.06862	1.4
147.08015	0.9
153.03966	2.2
155.05522	6.4
157.07086	0.9
157.10135	0.9
159.05043	2.8
161.06607	1.3
169.07137	8.8
169.10773	1.8
171.05055	1.5
173.06641	6.6
177.06116	1.0
177.07576	1.7
179.09207	1.3
181.07089	1.1
183.05051	2.5
185.06523	1.2
187.08171	7.7
189.11240	1.4
190.95544	0.8
191.07671	1.1
191.51228	0.8
193.12259	1.4
194.12564	0.9
195.08690	9.4
197.10245	9.2
199.08119	0.9
199.11180	1.1
201.06056	4.6
201.07654	2.2
201.09364	0.7
203.09254	1.9
205.05629	2.8
205.10753	1.1
207.08635	0.9
207.12260	3.6
209.10205	0.9
211.08195	0.9
213.09776	9.0
215.09285	1.7
215.11304	7.8
219.07137	3.1
219.08972	1.6
221.10257	8.9
223.11801	2.4
225.13377	12.9
231.10738	1.3
233.10214	6.9
237.09801	1.4
239.11299	11.4
241.05067	1.0
243.14407	16.6
251.11301	75.4
252.11615	1.7
257.12390	4.0
261.15463	1.4
269.12363	92.4
270.12531	1.6
273.14758	1.2
274.12711	3.4
275.15424	1.3
287.13416	48.7
292.13846	3.7
310.14917	1.5
351.22406	2.2
367.22806	0.8
368.22903	1.4
369.23343	6.0
385.23911	0.9
386.24014	2.0
387.24396	9.5
405.25507	3.3
435.25952	2.5
461.23108	13.9
461.28525	4.2
462.23737	1.0
479.24835	100.0
480.24960	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	479.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60374	0.7
57.16741	0.8
62.69943	0.7
67.05497	1.4
70.09722	2.6
71.05004	1.6
79.05489	1.5
81.03465	1.0
81.07076	1.0
83.08615	0.8
85.02936	1.0
85.06549	3.6
86.09686	1.0
91.05479	1.8
93.07056	2.0
95.08613	1.5
96.11658	0.8
97.06548	1.0
98.05676	0.7
101.00895	2.3
105.07055	2.4
106.03735	1.1
107.08603	3.3
109.02893	0.8
109.10181	0.8
111.08089	1.0
119.01941	3.4
119.08597	1.8
121.10088	1.7
127.03939	1.1
131.08583	2.6
133.10144	1.6
135.08029	1.7
137.05972	0.9
143.01938	3.5
153.01804	0.8
157.03555	1.0
161.03029	2.4
173.13240	1.0
175.04562	1.4
185.04216	0.9
187.00951	1.3
203.05341	2.6
227.05376	2.0
229.01935	1.5
245.06306	14.6
271.04367	1.3
273.13278	1.0
274.04633	3.9
287.03741	1.4
289.05313	100.0
290.05600	1.2
291.14441	3.2
302.04239	8.2
315.05185	2.0
315.08896	2.7
316.05411	2.3
316.08969	1.9
317.06390	24.7
327.04807	1.2
333.15649	1.5
393.18832	3.8
435.19928	11.7
479.18951	68.3
480.19330	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.7
55.76386	0.6
56.38841	0.6
65.80006	0.6
69.03435	0.9
69.07089	0.9
69.96938	3.1
71.04999	0.8
79.05495	1.7
80.05844	0.6
81.03407	0.6
81.07056	0.6
85.02917	3.1
86.03254	0.8
87.00809	1.5
93.07064	1.8
94.02715	0.6
95.08600	1.0
96.36471	0.6
97.02914	0.7
98.13050	0.6
98.20782	0.8
105.01889	1.3
105.07053	0.8
107.08640	1.0
109.02892	1.2
115.01233	0.7
123.08075	1.6
127.03928	2.0
131.08578	0.9
133.10143	1.5
135.08005	0.6
135.11685	2.6
136.12064	1.7
173.13284	1.0
174.92561	0.7
184.09972	0.6
195.13806	2.3
196.14191	2.5
203.05226	1.2
231.05202	0.7
231.13553	4.1
245.06354	2.4
259.13098	1.4
289.05341	5.1
373.46844	0.6
375.17627	1.5
393.18921	10.1
435.19955	28.2
479.18942	100.0
480.19199	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	479.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.5
55.01844	0.8
55.05480	1.7
56.96524	0.6
57.03409	0.8
66.31078	0.5
67.05505	2.8
69.03393	0.8
69.07049	1.0
70.53760	1.6
79.05463	1.8
81.03388	0.9
81.07073	2.9
83.04955	0.5
83.08614	0.7
85.02876	1.1
91.05508	2.7
93.07019	2.1
95.04936	0.9
95.08568	1.8
97.10070	0.4
98.97556	0.9
101.00854	0.9
105.06999	1.8
107.04945	0.7
107.08561	1.9
109.10175	1.0
119.01934	1.0
119.08588	1.0
121.06456	0.9
121.10143	1.1
123.08198	0.5
125.09622	1.0
127.03846	0.7
129.06914	0.5
131.08510	0.6
133.10092	1.5
137.05946	0.8
143.01860	0.7
145.06358	0.5
145.10175	0.5
147.11664	1.2
149.13150	1.0
151.03917	0.5
151.07495	0.8
153.22755	0.5
157.03439	0.7
165.09081	0.6
167.07071	0.5
185.04260	0.8
203.05275	2.4
213.12590	1.4
227.05420	0.9
231.13593	2.0
233.15149	0.5
245.06357	6.7
271.04276	1.2
273.13461	0.6
287.03726	1.5
289.05322	79.9
290.05716	0.6
291.14417	2.2
333.15359	1.0
338.12219	0.7
341.49829	0.5
351.23019	0.8
369.23544	0.7
386.23642	0.7
387.24637	1.7
393.18628	1.1
435.19955	13.6
461.28448	1.9
479.18961	100.0
480.19052	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	479.119
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
60.04515	0.3
65.25956	0.2
70.01476	0.9
70.06599	0.9
72.08165	0.2
76.02234	0.3
81.03427	0.3
82.42191	0.2
84.04559	0.2
85.02913	0.3
86.09709	0.7
91.05533	0.3
99.99826	0.2
107.04963	0.4
112.08793	0.2
119.04994	0.3
120.08148	0.5
123.04410	0.3
133.10074	0.2
136.07579	0.3
137.05969	1.7
138.06358	0.6
139.11200	0.2
147.04425	0.5
151.03893	0.2
153.01894	0.6
167.01628	0.2
193.06488	0.6
203.03439	0.4
228.04362	0.4
249.39311	0.2
271.05850	0.4
273.03839	0.4
274.04736	18.7
275.05084	0.4
299.05515	0.5
302.04239	33.7
303.04541	0.4
317.06583	100.0
318.06973	1.6
329.06461	0.3
343.64545	0.2
359.08002	0.3
372.09195	0.3
390.10803	0.7
479.11172	1.0
491.04858	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90063	0.4
53.03934	0.5
55.01873	0.9
57.03430	1.0
58.33033	0.5
60.62468	0.4
61.02923	1.9
68.66122	0.5
69.03433	4.0
69.07076	0.9
69.51272	0.5
71.05001	0.7
71.06494	0.9
73.02915	0.7
81.03410	2.4
81.07046	1.1
84.08130	0.5
85.02908	11.0
86.09718	0.7
91.03936	0.9
92.02642	1.2
93.03396	1.7
95.08625	0.7
97.02906	2.9
98.97579	0.6
107.05029	0.5
109.02869	1.4
109.10194	0.6
120.08087	0.5
121.02908	1.2
123.11723	0.7
125.27913	0.5
127.03912	2.5
133.96989	0.4
135.04410	1.2
136.07594	0.9
137.05930	0.8
139.03917	0.9
145.04947	1.0
151.03918	1.0
153.01837	8.0
153.05469	1.2
161.29269	0.5
165.01932	0.7
166.02652	0.5
201.05396	0.9
217.05058	1.0
218.05705	0.8
228.04187	1.5
229.04944	3.4
245.04456	1.5
246.05402	1.4
257.04398	2.4
273.03937	1.8
274.04724	5.7
285.03970	4.5
302.04251	17.4
303.07660	0.6
317.06577	100.0
318.06964	2.1
344.57922	0.5
419.18298	0.5
479.11499	1.1
479.19357	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
55.51882	0.4
56.96580	0.5
57.03438	2.8
60.46641	0.4
67.05476	0.4
69.03434	1.3
70.06586	0.8
70.98867	1.2
71.01355	3.1
71.05020	0.4
73.02923	5.0
78.03463	9.1
79.04261	0.7
80.05035	2.7
81.07087	0.7
83.01372	0.4
84.04507	1.8
85.02919	9.8
86.09715	0.7
91.05499	0.7
93.06988	0.5
95.01324	2.2
95.08571	0.6
96.04512	2.4
97.02914	1.2
99.00824	1.1
101.02365	1.2
103.03944	1.0
106.02930	31.6
113.02389	4.0
116.01685	0.5
120.08097	0.7
124.03964	73.6
126.05499	0.4
131.03407	1.8
141.01849	3.6
158.02646	0.7
159.02934	1.7
164.07082	1.2
170.08160	0.6
180.06572	100.0
181.06903	0.7
198.07567	0.5
222.07663	1.6
273.12650	1.2
274.12933	1.9
285.08655	0.7
303.09775	38.2
317.07037	0.6
320.07620	0.6
338.08694	0.6
356.09738	6.8
479.12799	3.5
479.19495	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2932
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.14985	0.4
53.03937	1.2
55.01863	0.7
55.05514	13.3
57.03197	0.6
57.03444	7.5
57.07069	1.7
62.06075	0.6
63.02803	0.4
65.03936	0.9
66.77451	0.4
67.05509	25.2
69.07075	14.5
71.04999	0.9
71.08630	1.1
77.24388	0.4
79.05503	6.8
81.07063	23.4
83.04985	0.8
83.08628	7.5
85.06569	0.9
91.05498	4.4
93.07047	5.9
95.04954	0.7
95.08612	18.2
97.06524	1.3
97.10172	3.2
105.07032	3.2
107.08597	3.8
109.10168	6.3
111.08076	1.2
111.11731	1.0
119.08575	2.6
121.10139	3.1
123.08084	0.4
123.11725	2.7
133.10132	2.5
135.11702	1.7
137.09599	0.5
137.13249	1.0
147.11676	1.4
149.13251	0.8
151.14819	0.6
161.13237	1.2
163.14893	0.6
175.14839	0.9
189.16376	0.4
245.22589	0.5
263.23792	1.1
269.03503	0.4
306.27869	1.6
337.27380	100.0
338.27649	2.8
497.52951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2935
Annotation	RKS-1778
Peak:m/z	Relative Intensity
54.81634	0.6
55.01887	0.7
55.05521	4.7
57.07067	0.7
62.06081	0.9
66.45041	0.7
67.05518	6.4
69.03438	0.6
69.07068	4.4
74.50322	0.6
79.05479	2.0
81.07066	5.7
83.08611	2.3
85.05296	2.0
91.05498	1.1
93.07041	2.2
95.08597	2.9
98.06068	8.5
98.21615	1.5
98.98462	1.5
107.08605	1.0
109.10161	1.6
112.07600	1.2
149.39320	0.6
161.06023	2.1
172.98109	0.7
182.59383	0.7
191.26427	0.6
194.91811	0.6
201.71313	0.7
235.12888	0.6
236.97073	1.0
254.61917	0.6
254.98209	1.6
306.27936	100.0
307.28308	1.3
324.28821	0.7
348.59637	0.6
432.50394	0.9
478.28961	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.119
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03938	0.7
55.01870	0.5
57.03433	0.9
60.81304	0.2
61.02930	1.5
61.90310	0.2
65.03912	0.3
68.99815	0.2
69.03080	0.3
69.03430	3.8
70.06600	0.4
70.42093	0.3
70.42461	0.5
70.45937	0.2
71.04998	0.5
73.02930	0.4
79.05493	0.2
81.03027	0.3
81.03419	2.0
81.07050	0.3
83.04999	0.3
85.02911	9.6
86.09681	0.3
87.04456	0.3
91.03939	0.5
92.02631	1.0
93.03403	1.3
93.07040	0.2
95.08619	0.3
97.02901	3.8
98.20645	0.2
99.04443	0.6
100.31083	0.3
109.02908	1.1
109.10134	0.2
120.08094	0.4
121.02842	1.0
122.03651	0.2
123.04417	0.2
126.03114	0.4
127.03934	1.6
136.07532	0.2
137.02361	0.5
139.03899	0.7
145.04962	1.4
151.03912	0.7
153.01833	8.2
160.72133	0.2
163.03996	0.3
165.01848	0.7
170.02295	0.2
173.05956	0.2
177.05492	0.3
200.04796	0.2
201.05505	1.0
203.03348	0.3
217.04933	0.8
218.05672	0.4
219.02948	0.3
228.04155	1.4
229.04964	3.4
229.07028	0.3
231.02896	0.3
243.06638	0.2
245.04498	1.5
246.05222	1.7
256.03784	0.5
257.04449	2.7
260.03284	0.3
260.19513	0.2
261.07529	0.3
273.03882	1.7
274.04739	4.4
284.03265	0.6
285.03943	4.5
286.04395	0.3
287.01904	0.3
299.05222	0.2
302.04236	14.1
317.06570	100.0
318.06906	1.8
329.06824	0.3
359.07468	0.3
373.08276	0.2
461.09222	0.2
461.81900	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.5
55.01867	9.0
55.05499	11.7
55.98747	3.5
56.96552	6.3
57.03425	6.6
57.04620	3.4
61.02925	5.3
64.41875	3.0
67.05499	10.1
69.03445	42.1
69.07068	8.2
69.51071	3.0
70.06597	7.2
71.05006	5.9
71.06335	6.9
73.02921	9.1
79.05500	10.5
81.03429	24.2
81.07069	17.1
83.05006	6.6
83.08607	8.2
85.02914	100.0
87.00842	37.2
87.04457	8.9
91.05491	8.2
93.07043	12.2
95.04941	6.7
95.08620	18.0
97.02908	61.6
97.10182	6.3
98.97597	7.9
99.04453	9.7
99.08123	4.4
105.01191	5.0
105.01877	66.9
105.07069	7.0
107.04930	4.4
107.08616	17.2
109.02874	22.4
109.10197	3.9
115.03925	14.4
119.08545	9.8
121.10164	29.0
123.04449	3.7
123.11761	3.7
125.09628	6.2
127.03928	58.1
131.08548	5.4
133.04944	16.0
133.10143	6.9
135.08163	3.5
135.11667	5.3
145.04988	33.4
157.85799	3.7
159.02942	7.7
159.11780	3.4
167.10756	5.1
175.14824	4.4
177.16411	38.3
195.13780	4.0
231.04996	23.6
249.06177	5.6
264.14542	4.3
272.16409	9.8
273.15356	7.9
300.06253	6.5
301.06625	11.2
315.08707	10.7
316.08978	19.5
316.19043	9.4
345.17331	3.7
354.17847	4.3
368.23062	4.0
386.24368	5.7
460.27597	7.0
479.18732	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	478.2931
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.54868	0.8
55.05523	9.7
57.01435	0.9
57.03436	4.3
57.07076	1.5
61.73468	1.0
62.06097	31.1
67.05513	30.3
69.06727	1.1
69.07075	13.6
70.15631	3.0
71.08613	1.0
79.05502	8.3
81.06588	1.8
81.07060	30.0
83.08627	7.3
91.05486	4.9
93.06557	1.0
93.07056	9.8
95.08616	23.5
97.06542	1.8
97.10157	2.9
98.06058	1.4
98.98467	10.4
100.75553	0.9
105.07022	3.6
105.62263	1.1
107.08601	6.3
109.10151	6.4
117.52225	0.9
119.08577	2.7
121.06482	1.7
121.10139	5.2
123.11713	3.2
124.01599	2.5
133.10139	3.3
135.11697	1.7
142.02609	1.1
147.11647	1.7
149.13260	1.6
155.01054	6.6
155.19308	1.0
161.13315	1.2
163.14786	1.0
189.16272	1.2
190.80653	1.0
198.05309	2.5
216.06349	4.3
245.22528	2.1
263.23813	7.5
306.27930	17.1
319.26617	1.5
337.27396	100.0
338.27682	3.6
378.51553	1.2
381.08020	1.2
460.28369	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	478.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	9.8
57.42439	4.5
67.05505	8.3
69.03418	8.1
69.07076	10.5
70.24044	18.1
79.05499	7.8
81.07048	15.9
83.08658	5.3
85.02911	14.4
91.05493	26.5
93.07050	19.3
95.08617	28.0
97.02893	4.9
97.25084	4.3
105.01884	7.8
105.03397	11.1
107.08588	28.5
109.10156	13.5
120.08202	4.5
121.10180	43.9
127.03928	7.9
135.11716	9.7
145.04916	5.8
147.19237	4.8
165.40775	4.7
167.07080	5.0
170.42294	4.4
177.16408	100.0
179.07089	7.5
195.17511	9.6
210.19095	4.5
238.54192	5.3
299.05286	5.9
304.61612	4.6
316.06436	6.7
316.15433	5.5
320.64597	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	478.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01840	1.3
55.05510	13.2
56.05827	1.7
57.07066	1.7
61.78884	1.4
67.05509	6.6
69.03414	3.8
69.07079	12.0
70.01180	1.4
71.04998	3.2
79.05502	12.7
81.03408	1.7
81.07058	15.2
82.07391	2.1
83.08631	8.2
85.02898	6.1
87.00821	2.9
88.07616	1.3
88.92814	1.3
91.05469	6.4
92.05799	1.7
93.07048	15.2
94.07331	2.0
95.04969	2.1
95.08614	33.0
97.02879	2.0
97.10159	6.0
99.08058	3.2
105.01878	4.9
105.07020	4.7
107.04955	4.9
107.08603	32.0
108.08908	1.6
109.02853	2.6
109.10173	7.4
110.94795	1.7
113.09651	1.7
117.94986	1.2
119.08577	3.4
121.06555	1.8
121.10150	41.0
121.11024	2.0
125.09617	2.5
127.03905	5.6
131.08615	1.8
135.11684	8.3
137.13261	5.2
139.11177	1.5
145.04945	3.7
145.06493	1.5
149.13223	2.4
175.14716	1.6
177.16399	100.0
178.16721	1.6
189.11043	2.1
195.17494	4.2
229.18298	1.7
235.09503	1.7
256.74625	1.5
273.15103	1.8
316.08810	3.0
341.13797	2.2
350.21603	2.0
368.22992	5.5
386.24377	7.0
404.25415	2.1
460.27765	6.6
478.28754	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	478.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.5
53.03949	4.9
55.01869	5.7
55.05515	2.0
56.42371	0.5
56.78895	0.7
56.96568	0.6
57.03439	5.1
57.07078	7.8
61.02931	8.0
61.34575	0.5
65.03920	0.8
66.04784	0.5
66.18315	0.5
67.05512	5.9
68.99784	2.4
69.03433	31.7
69.07073	4.9
69.46911	3.9
70.06593	0.6
71.01350	0.5
71.04999	4.1
71.08668	0.5
73.02920	4.5
73.63049	0.5
77.03922	0.9
79.05497	39.5
81.03421	21.4
81.07057	7.1
83.01358	0.8
83.04987	9.9
83.08620	0.7
85.02908	84.8
86.03239	0.5
87.00832	37.0
87.04482	0.7
91.03976	1.5
91.05482	8.0
93.07049	37.2
94.07355	0.5
95.04975	2.1
95.08601	2.8
97.02898	25.0
97.06520	5.8
98.97588	0.6
99.04458	10.7
101.02399	0.8
105.01872	48.4
105.04501	0.7
105.07028	2.3
107.04971	6.1
107.05636	0.8
107.07867	0.8
107.08598	14.6
108.04514	2.3
108.81626	0.5
109.02885	27.6
109.06509	1.1
111.08077	0.9
115.03929	1.1
117.01842	2.0
117.07030	1.7
119.04910	1.0
119.08589	2.0
121.06503	2.6
121.10159	2.5
123.08118	0.6
125.05999	18.0
126.05508	1.6
127.03924	56.1
129.01855	3.5
131.04939	0.6
131.08543	1.5
133.10141	11.1
135.08054	2.0
135.11700	100.0
136.12013	1.6
139.07544	11.8
145.04970	18.7
145.10130	0.6
146.87845	0.5
147.02902	1.7
147.04404	1.8
149.12177	0.8
149.13272	8.8
151.07628	0.5
153.09109	2.6
153.12740	3.2
159.02901	10.4
159.11678	3.5
159.41824	0.5
171.02895	0.8
175.11169	0.7
177.04027	0.9
177.12764	17.4
189.03973	2.8
193.12277	0.7
195.13817	91.7
196.14143	1.2
197.13249	0.5
213.03972	3.6
213.14865	1.2
214.06865	0.5
231.02698	0.9
231.05014	18.7
248.07532	0.6
249.06084	5.3
266.08881	0.7
285.14886	1.0
301.07172	0.5
303.15942	0.5
315.08585	0.6
316.08908	1.8
327.17676	0.5
328.18866	0.6
368.22937	0.8
386.24033	0.8
407.17157	1.1
425.17950	0.7
478.16010	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62557	0.6
53.03926	0.6
55.01873	1.1
55.05511	1.6
56.96560	2.1
57.03415	0.7
61.02925	1.4
65.03937	1.0
65.43751	0.6
67.05513	4.3
68.99802	2.1
69.03431	1.2
69.07072	3.1
70.06589	1.7
70.26479	0.6
71.01323	0.8
71.47456	0.8
79.05476	1.9
81.03419	2.0
81.07057	3.3
83.04982	1.2
83.08631	0.8
85.02896	1.5
85.93712	0.6
91.05482	3.4
93.07035	2.4
95.04973	7.0
95.08592	1.4
97.10155	0.7
103.05479	2.6
105.07041	2.2
107.04943	2.5
107.08576	1.0
109.06516	1.9
109.10197	0.7
111.04418	0.8
117.07009	0.7
119.04957	1.7
119.08549	0.7
121.06501	1.5
123.11647	0.7
131.04976	2.8
133.10103	0.6
135.04393	1.7
136.07565	1.9
137.06001	2.0
139.00285	0.8
141.25233	0.6
145.06519	0.7
149.02303	2.9
149.06012	4.7
159.04419	3.1
163.03943	2.8
165.01779	3.6
167.03423	2.4
171.04405	1.0
175.03883	2.1
175.11125	0.7
177.01952	0.9
177.04114	0.5
177.05479	14.7
179.03462	3.6
180.06572	0.7
181.05006	1.1
183.02858	1.0
186.05595	0.8
187.03908	4.4
190.02525	0.6
193.04970	3.8
193.12239	0.8
201.12726	0.9
204.06564	16.7
205.04977	96.4
205.23772	0.6
211.13275	1.4
215.10811	1.1
222.07628	100.0
223.06004	5.8
223.07928	0.9
227.10649	2.3
267.09167	1.6
283.16998	1.5
285.10165	2.7
324.11407	2.0
336.55658	0.6
347.15298	1.5
365.16055	1.7
381.43323	0.7
404.24841	0.9
405.17123	1.1
422.19415	1.5
457.27798	0.7
461.23273	4.3
478.25858	33.2
479.26111	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.3
53.03953	3.2
55.01876	1.3
55.25956	0.4
57.03442	6.9
63.56065	0.4
67.01883	0.5
67.05505	0.6
69.03427	2.0
71.01356	5.1
73.02550	0.8
73.02924	7.3
75.04501	0.7
76.99821	0.4
77.03941	1.2
78.03459	3.4
78.91559	0.5
79.05497	6.4
80.05047	2.4
81.03429	0.6
81.07063	1.1
83.01362	0.6
85.02911	14.0
85.80546	0.4
93.07053	0.5
95.01337	2.9
95.04981	4.0
95.08626	0.7
96.04494	1.1
97.02902	1.9
98.20762	0.9
99.00822	1.4
101.02381	2.6
103.03960	1.6
105.03402	100.0
106.02935	11.7
106.03670	0.7
107.08566	0.8
113.02381	7.7
123.04440	10.6
124.03967	67.6
131.03403	3.4
133.10207	0.6
135.11743	0.8
141.01836	6.5
147.01505	0.4
159.02873	2.2
179.03564	1.8
179.07051	71.8
180.06546	12.4
198.07655	0.8
201.08109	0.5
284.02759	0.5
284.09280	1.2
302.10257	37.5
303.10428	0.6
316.05402	1.5
355.10284	5.8
377.56287	0.5
440.54654	0.5
478.13766	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	478.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.7
64.40630	1.1
65.03948	1.7
67.05508	1.3
69.03452	2.5
69.41986	9.4
69.72822	1.2
70.06588	2.8
74.00670	1.4
76.02228	1.4
79.05499	2.0
79.71313	1.1
81.03421	4.8
81.07045	1.9
83.04998	2.7
83.49443	1.0
84.04504	1.4
86.09711	1.7
88.03997	2.1
91.05486	2.6
93.07045	1.6
94.04200	2.2
95.04965	1.9
103.05485	2.2
105.07024	1.5
107.04947	2.5
109.02875	3.5
109.06552	1.8
115.05485	4.8
116.30311	0.9
117.07030	4.1
119.04983	2.2
120.08107	1.8
122.03655	6.6
123.04440	13.4
125.05973	1.7
128.06239	1.2
129.07008	4.2
131.04929	9.9
135.02661	2.0
135.56589	1.2
137.02425	2.0
137.05994	100.0
139.02132	2.4
139.11156	1.5
141.03754	1.9
143.04945	4.8
144.05714	4.8
145.06496	5.8
146.03677	1.2
147.04440	6.3
149.00594	2.2
149.06007	2.8
151.03943	9.6
151.07556	2.3
157.06516	4.1
157.15991	1.0
158.02815	1.9
158.07266	1.5
159.02657	1.4
159.04416	6.2
160.05212	2.8
161.06017	5.5
163.02130	2.3
163.07530	3.5
167.01631	16.7
168.50694	1.1
169.03212	14.1
172.05186	2.6
173.05956	2.5
174.06757	2.5
175.02022	1.6
175.07579	11.3
177.03749	2.7
177.05423	1.5
178.00784	1.7
180.99605	2.0
181.03215	1.8
183.01105	2.7
187.07547	8.1
188.08321	1.1
189.05525	1.4
189.09172	6.1
191.01659	1.9
191.05057	2.1
191.06935	1.8
193.03229	7.6
193.06473	8.4
195.04721	2.7
199.01987	1.6
203.06870	1.3
205.03221	8.7
205.06909	1.4
205.08592	7.8
215.06758	1.4
217.03267	4.5
217.08566	2.4
219.04733	3.5
219.08131	1.6
227.07108	1.9
231.04785	2.2
235.04187	3.3
235.07526	3.4
237.05785	4.0
237.09302	1.3
239.03659	1.3
240.07959	2.2
247.04178	1.8
247.07709	2.3
248.08412	1.8
251.05156	1.6
253.08662	1.5
255.06668	1.7
263.07144	2.1
264.07571	1.4
265.08673	1.3
266.04047	1.8
270.08759	2.7
274.04724	7.6
277.08627	4.0
278.03726	1.2
278.09412	1.9
279.04535	1.3
280.11157	1.1
283.04465	1.8
293.08197	2.0
294.08463	1.8
295.09796	1.9
296.10538	1.9
297.05908	1.8
301.05280	4.2
302.04214	14.7
306.03485	2.0
307.09686	3.8
308.10529	4.2
309.05768	6.3
309.11261	1.8
310.11990	2.6
311.07382	3.4
317.06625	43.1
321.05753	3.1
322.11584	1.5
323.07346	1.4
326.06262	1.5
327.06946	1.6
327.12347	3.1
329.08545	2.2
335.07452	1.3
338.11340	1.7
339.06955	3.3
341.08548	9.6
342.14496	2.2
343.10004	2.1
353.08365	6.9
355.10025	2.5
357.07837	1.4
357.13123	1.9
359.09634	1.7
367.10104	2.1
371.09482	13.7
376.37936	1.2
382.11328	1.6
389.10577	39.9
397.11142	1.6
415.12085	2.4
418.13297	1.6
430.13391	2.7
461.12708	4.9
478.14920	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	478.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
63.02375	0.5
69.03448	0.4
69.33731	0.5
69.34133	2.2
70.06601	0.7
72.08156	0.5
78.03458	2.1
79.05518	1.7
80.05013	0.4
81.03369	0.4
83.23061	0.3
84.04498	0.3
85.02895	0.4
87.05688	0.3
88.03976	0.4
89.03918	9.8
95.04963	0.3
96.04501	0.6
98.97574	0.3
106.02934	4.6
107.04951	3.3
116.07120	0.3
117.03387	11.4
123.04418	0.5
124.03955	10.8
135.04419	19.9
145.02856	13.7
145.03918	0.6
147.04404	0.5
163.03911	100.0
164.04239	1.1
177.05527	0.4
177.09088	0.4
186.05438	0.4
193.06422	0.4
194.27100	0.3
219.01765	0.4
298.05496	0.5
316.06631	4.4
358.08862	0.4
478.19092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.2
53.03947	3.7
55.01876	0.7
57.03439	7.1
69.03430	1.5
71.01357	5.8
71.09194	1.0
73.02923	7.2
77.03924	0.9
78.03448	2.6
79.05075	0.6
79.05507	7.4
80.05014	1.9
83.01343	1.1
85.02910	16.1
87.04005	0.5
87.27282	0.5
95.01338	3.4
95.04988	4.8
96.04497	0.9
97.02904	2.0
99.00816	1.2
101.02397	2.0
103.03942	1.3
105.03397	100.0
105.04544	2.4
106.02930	12.9
106.03657	0.7
113.02374	7.0
123.04440	11.6
124.03961	67.9
125.04346	0.7
131.02560	0.6
131.03381	2.5
141.01817	5.6
158.60126	0.5
159.02916	2.4
179.03528	2.2
179.07043	72.5
180.06537	14.6
198.07654	0.6
283.02737	0.6
284.09180	1.2
302.10245	44.5
303.10556	1.1
315.05106	0.6
316.05392	1.3
330.46899	0.5
355.10257	6.3
356.09732	0.5
376.40521	0.6
395.11469	0.6
478.13562	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	477.285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	19.9
55.05516	56.1
57.03435	15.3
57.08838	3.8
59.04999	3.1
67.05513	58.2
69.03437	11.1
69.07068	11.8
69.34441	29.4
71.05001	6.4
73.87478	3.5
79.05501	70.3
81.03426	43.8
81.07066	52.9
83.04971	6.2
83.08626	37.4
85.06563	5.0
91.05482	44.4
93.07042	35.5
93.56966	3.2
95.04955	28.9
95.08611	24.5
97.06528	7.2
97.10181	57.7
97.69868	3.0
103.05481	5.6
105.07052	38.1
107.04961	43.6
107.08610	30.2
109.06538	16.5
109.10178	13.7
111.08099	10.1
115.05443	5.5
117.07031	15.1
119.04954	6.0
119.08578	21.8
121.06512	35.6
121.10146	10.3
123.04465	3.3
123.08068	10.8
125.09642	31.9
128.06252	4.0
129.07053	19.5
131.04916	6.2
131.08556	25.6
133.06474	13.5
133.10127	7.0
135.08067	14.6
137.09586	4.7
141.07019	8.9
142.07722	4.5
143.08594	13.0
143.32974	3.3
145.06483	19.9
145.10152	10.9
147.04408	3.6
147.08089	9.1
147.11716	9.6
149.09698	7.1
153.09131	9.9
157.06499	5.9
157.10129	8.4
159.08092	6.0
159.11691	5.0
161.06044	4.6
161.09605	4.6
163.11116	4.5
169.10132	7.9
171.08127	5.8
171.10269	4.1
171.11716	12.5
173.09662	7.4
175.11183	12.8
183.11694	4.2
185.09691	3.4
185.13292	3.9
187.11198	8.2
187.14874	5.7
189.11266	18.0
193.12270	23.4
199.11232	8.4
203.14360	3.6
215.14374	9.3
227.12653	18.8
233.15405	15.6
237.12822	4.4
241.14394	6.3
245.15549	7.0
255.13780	4.5
259.13501	3.7
267.15891	11.5
270.40430	3.2
273.14856	18.8
275.16486	6.1
289.78500	3.6
291.15845	5.1
339.23218	12.7
341.21201	5.1
349.21771	21.4
357.24390	15.8
367.22696	59.9
375.25555	6.1
385.23785	96.3
386.24045	4.5
403.24841	33.9
433.25867	12.0
441.26523	9.6
459.21176	6.8
459.27451	100.0
477.28586	53.2
502.48230	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	477.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
55.01873	1.6
57.07073	2.3
58.95965	0.6
67.54163	0.6
69.07058	1.9
69.29704	6.0
72.13061	0.7
79.01838	0.8
79.05512	0.7
81.03423	16.0
89.79105	0.8
91.05446	0.8
97.59699	0.6
99.00826	1.9
105.07030	2.7
107.04987	1.4
109.02885	40.3
121.02866	1.7
131.01273	0.8
131.08594	1.8
133.06502	24.1
147.08078	1.9
149.02368	2.3
151.03877	0.8
151.07533	2.6
155.39471	0.6
157.10115	1.3
165.01836	7.7
167.03366	1.9
170.11090	0.6
173.09587	1.2
175.11226	4.2
177.01837	76.8
179.03429	5.5
183.02879	2.0
187.11221	0.9
189.12752	26.2
191.03357	2.1
195.02901	98.8
197.04462	1.7
201.12825	0.9
203.03424	3.2
205.04897	1.1
208.92052	0.8
233.08096	100.0
234.08467	1.5
251.09163	15.6
259.09760	2.9
261.11374	1.3
289.14319	2.1
309.07712	1.2
323.12521	0.8
365.13849	56.3
366.14267	1.3
421.20151	38.7
422.20593	1.0
477.26160	1.9
496.94940	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.0
55.01888	14.9
55.05515	70.6
57.03436	17.2
67.05506	76.7
69.03433	13.0
69.07086	20.6
70.67527	9.3
71.05003	6.8
79.05497	69.5
81.02991	4.7
81.03427	54.8
81.07058	61.5
83.04987	15.9
83.08620	37.5
83.19283	3.0
85.02897	6.5
85.06511	3.5
91.05490	53.8
93.07053	42.9
95.04984	31.6
95.08608	33.4
97.02931	3.5
97.06540	7.5
97.10182	55.0
103.05480	3.1
105.07030	35.5
107.04961	42.7
107.08611	35.8
109.06527	13.6
109.10191	17.2
111.04421	3.5
111.08102	7.0
115.05470	7.3
117.07027	28.1
119.04983	5.2
119.08593	28.4
121.06520	37.9
121.10145	17.0
123.04469	4.0
123.08069	8.1
125.09639	43.9
128.06230	5.4
129.07016	23.5
131.04919	5.3
131.08569	22.8
133.06476	18.3
133.10156	13.0
135.08055	19.1
135.11691	3.8
143.08577	14.4
145.06494	30.2
145.10107	14.6
147.04478	5.9
147.08022	16.5
147.11691	14.7
149.09593	9.7
153.09154	7.1
155.08545	9.8
157.06500	5.2
157.10153	11.5
159.08087	8.3
159.11676	7.7
161.06059	4.2
161.09673	5.4
163.11198	11.5
165.12808	4.1
169.10136	7.5
171.08038	5.9
171.10231	6.9
171.11688	8.3
173.09601	6.0
175.11224	13.3
177.12776	4.9
181.10123	3.7
183.11765	4.0
185.09682	4.4
185.13304	7.4
187.11154	5.9
189.11247	18.9
189.12740	6.8
193.12244	29.5
195.11694	4.5
197.13219	4.0
199.11140	6.8
205.12398	4.2
211.11166	4.0
211.13235	7.3
213.12752	5.0
215.14384	6.6
217.12263	4.7
219.13985	4.2
227.12715	20.9
231.13762	5.3
233.15416	21.9
237.12715	5.5
241.14400	3.5
245.15312	5.3
249.14969	7.2
259.13092	3.8
267.15930	28.2
273.14853	19.8
292.07541	3.1
300.06268	5.4
315.08646	13.7
339.23157	14.3
341.21298	8.3
349.21747	21.5
349.83499	3.2
357.24286	22.7
367.22687	48.8
375.25177	4.6
385.23801	100.0
403.24765	38.2
415.24609	5.2
433.25897	9.9
441.26428	9.2
459.27466	98.1
477.28485	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	477.264
Annotation	amorilin
Peak:m/z	Relative Intensity
53.03950	2.4
57.07074	2.2
59.75562	0.9
69.07076	2.3
69.63354	5.1
81.03423	13.8
81.07060	1.3
90.89611	0.9
95.04969	0.9
96.18708	0.8
98.21555	0.9
99.00809	1.0
105.07048	1.8
107.04965	1.8
109.02888	35.8
121.02918	1.6
121.06519	0.8
131.08597	4.2
133.06503	33.6
145.06523	1.0
147.08064	3.4
149.02396	2.6
151.07607	3.2
161.39273	0.8
165.01913	2.3
167.03419	1.4
171.11664	1.0
175.11220	4.9
177.01843	76.5
178.02206	1.3
179.03397	7.3
183.02946	1.4
187.11269	1.7
189.12755	36.2
191.03362	2.6
195.02907	100.0
196.03270	0.8
197.04480	2.1
203.03436	3.4
230.68645	0.8
233.08105	64.9
234.08369	0.9
235.09691	1.4
245.08315	0.9
251.09145	11.1
259.09723	1.7
291.06653	1.4
309.07535	2.8
323.12848	1.1
347.12744	1.0
365.13861	59.3
400.82642	0.9
421.20139	82.3
422.20453	1.7
454.83850	0.8
477.26352	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	477.264
Annotation	Hydroxysophoranone
Peak:m/z	Relative Intensity
50.01606	1.1
53.03949	1.9
55.01871	5.6
55.05521	1.8
57.07082	1.3
59.05034	1.2
65.03933	1.1
67.01880	1.2
67.05508	5.7
68.99795	4.6
69.03419	2.4
69.07074	24.4
71.55070	1.6
77.31461	1.3
79.01872	1.6
79.05490	5.0
81.03423	4.4
81.07059	11.8
91.05486	3.1
92.99758	1.2
93.07059	3.7
95.08612	5.0
97.02874	2.1
99.00855	2.0
105.07049	2.1
109.02890	3.2
109.10168	2.2
115.05451	1.6
117.07032	3.5
119.08566	1.6
121.06486	1.4
121.10156	1.7
122.14082	1.0
123.04407	1.1
123.11700	3.0
129.07048	1.9
131.08591	3.0
133.06502	3.3
133.10150	1.4
136.94394	1.1
137.02353	3.0
139.03920	2.5
141.01825	8.5
143.08591	2.0
145.06473	8.6
145.10120	1.9
149.02368	1.3
151.03943	1.4
153.01840	46.9
153.05328	1.1
153.06908	1.3
157.06528	2.2
157.10133	1.4
159.08076	1.9
159.11720	1.3
161.09663	1.3
163.03908	1.4
165.01848	100.0
167.03407	9.3
171.02901	2.5
171.08061	3.1
173.06026	1.6
173.09660	4.6
173.13333	1.7
173.76759	1.2
177.01889	2.0
177.05576	1.1
179.03398	12.5
181.06544	1.9
183.02895	49.1
185.05995	4.6
185.09615	2.9
187.11177	2.0
189.12752	2.3
191.03418	4.7
193.04909	5.5
195.02953	3.3
195.08070	2.0
198.85721	1.2
199.07520	2.4
199.11209	3.9
201.05482	17.2
201.12758	26.3
209.06038	2.0
211.07579	3.3
213.05475	1.8
213.09082	3.1
219.06558	12.8
221.06041	1.4
221.08087	2.3
225.09018	2.5
227.07024	5.9
227.10661	1.6
229.08572	1.8
229.15935	1.8
233.08049	2.4
239.10890	1.6
243.17563	1.9
251.06969	3.4
253.08635	1.9
255.06573	10.0
257.18958	7.8
267.06543	12.3
269.08130	2.8
279.06531	9.8
281.08084	3.8
281.15439	1.9
285.07651	3.1
291.06522	1.2
297.07565	11.8
299.09332	1.7
335.08716	2.2
335.12772	38.2
347.12735	9.6
353.13852	20.1
365.09222	1.9
365.13840	35.7
393.16907	1.7
403.19000	3.4
421.20142	22.4
477.26474	3.1
489.67981	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2125
Annotation	Platyphylloside
Peak:m/z	Relative Intensity
53.03936	4.8
55.01865	5.0
55.05519	14.6
57.03430	5.0
61.02919	2.7
67.05187	1.2
67.05512	19.8
69.03439	10.8
69.07070	17.0
70.08121	6.0
71.04980	1.9
73.02921	2.0
79.05498	18.1
81.03412	14.9
81.07062	16.3
83.04978	5.1
83.08625	7.3
85.02431	2.2
85.02911	34.4
85.06570	1.8
91.05495	18.0
93.07057	15.5
93.67183	1.3
95.04981	11.5
95.08618	7.2
97.02934	6.7
97.06516	3.5
97.10181	9.7
98.20814	1.5
99.04447	1.8
100.41868	1.3
105.07049	13.5
107.04961	90.0
107.08592	12.6
109.02871	2.8
109.06509	4.0
109.10162	5.9
109.52023	1.2
111.04446	3.8
111.08040	1.5
117.07022	5.6
119.08562	6.6
121.06501	6.5
121.10144	4.9
123.04454	7.4
123.08079	3.0
123.11717	2.3
125.05992	1.6
125.09628	7.8
127.03087	1.2
127.03922	9.2
129.07036	7.5
131.04933	2.4
131.08554	7.3
133.06485	3.5
133.10133	5.0
135.04405	5.7
135.08122	3.2
135.11725	3.5
137.05998	1.7
139.03957	6.9
139.07489	2.1
139.11195	1.6
141.05434	3.0
141.07025	1.5
143.08553	3.8
145.04961	2.6
145.06487	5.7
145.10115	5.0
147.08052	2.5
147.11697	4.6
148.27196	1.3
149.06001	3.5
149.09673	6.7
151.07532	5.8
151.11275	1.6
152.26842	1.3
153.05487	26.9
153.09175	2.1
155.08578	1.7
157.06470	2.0
157.10104	4.0
159.08023	1.9
159.11673	2.0
161.05943	1.6
163.11180	4.9
167.07069	4.2
167.08530	1.8
167.10696	6.5
169.10196	2.3
170.46996	1.5
171.08057	2.0
171.11739	3.5
173.09636	6.7
175.11194	3.8
185.09660	1.4
189.11197	3.5
191.10696	13.5
193.12230	5.8
197.13184	2.7
199.11151	2.4
209.11736	66.2
215.14305	1.7
219.13756	1.8
221.11728	4.4
223.13278	1.5
227.12810	3.3
233.15276	6.2
259.09808	2.5
267.15952	2.5
273.14938	2.8
297.14896	1.6
315.15918	100.0
316.16174	1.8
339.23163	2.1
349.21533	4.4
367.22699	12.9
385.23724	15.2
403.24680	4.7
424.73193	1.4
441.26166	2.2
457.71469	1.7
459.27463	16.0
477.28580	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	477.1885
Annotation	Garcinisidone C
Peak:m/z	Relative Intensity
53.03951	1.7
55.01857	1.8
55.05513	7.0
55.26199	1.0
56.96563	2.8
57.03434	1.7
61.02911	1.3
62.06073	1.4
65.03941	1.6
67.05510	13.1
69.07079	4.2
71.04987	2.0
71.55816	1.4
79.05498	11.5
81.03437	6.9
81.07066	13.9
82.10123	0.9
82.75838	1.0
83.04975	2.3
83.08627	3.8
91.05502	7.5
93.07062	8.8
95.04973	4.3
95.08610	7.6
97.02924	1.9
97.06521	2.4
97.10167	2.6
105.07025	5.1
107.04974	2.6
107.08584	6.8
109.10168	3.7
111.08096	1.5
117.07043	3.6
119.04922	1.2
119.08557	5.5
120.08966	1.4
121.06550	3.2
121.10158	3.5
123.98208	1.1
125.09634	3.7
129.06999	2.0
131.08574	3.3
133.06531	1.7
133.10127	2.3
135.08070	2.5
135.11713	4.6
145.10129	3.9
149.01268	1.1
149.09657	1.6
149.13289	2.0
159.11719	1.9
161.05969	1.2
163.11226	5.4
171.11856	1.3
175.11290	1.4
209.11765	1.8
227.12672	6.6
233.15436	1.9
267.15967	1.7
287.05240	2.5
305.06400	1.3
343.11884	1.5
349.16867	1.6
365.15573	1.7
367.22717	2.5
385.23724	5.8
397.16675	1.3
409.12473	5.8
421.12546	19.5
459.27393	3.5
477.18933	100.0
477.28525	12.2
478.19391	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	477.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.4
56.96545	2.2
65.64693	1.8
67.05517	10.2
69.07057	6.6
79.05485	11.8
81.07056	12.4
83.08629	4.6
84.64935	1.7
91.05502	9.6
93.07060	10.1
95.04977	2.9
95.08606	6.3
98.20696	3.3
99.04443	2.1
100.09417	2.1
101.59705	1.8
105.07026	7.3
107.04964	4.4
107.08617	4.4
109.10162	5.6
119.08574	5.7
121.06519	2.3
121.10131	3.5
131.08551	1.9
133.06456	11.6
133.10123	5.7
135.11635	4.2
145.10155	2.7
147.11754	3.8
151.11212	2.8
159.11781	2.8
161.05991	25.5
167.03452	4.2
171.11668	3.0
174.96274	1.9
190.99525	2.3
201.98750	2.3
204.97388	10.7
205.98296	4.7
217.16032	2.2
227.12709	4.1
229.04816	3.2
257.04147	4.7
275.05240	6.6
288.17535	2.0
315.16141	2.2
317.13635	8.7
325.10297	9.0
339.04752	12.5
340.05469	5.1
343.11530	100.0
349.15552	3.6
361.08234	4.1
361.12601	65.3
367.22958	2.2
377.13812	2.7
385.23730	2.1
408.11697	7.6
409.12808	2.8
415.18787	3.2
433.19754	5.1
459.17679	6.2
459.26990	3.7
477.19092	23.0
477.28076	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	477.1395
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
56.25529	0.3
57.03413	0.5
69.07048	0.3
70.06596	0.5
71.55796	0.4
81.03407	0.5
81.07079	0.6
83.05100	0.3
84.08129	0.5
85.02908	0.9
89.06013	0.6
91.05463	0.6
93.07081	0.3
93.91687	0.4
95.04985	0.4
99.08100	0.5
105.03383	0.4
107.08614	0.3
119.08530	0.3
123.04435	1.9
134.03621	0.4
137.02344	0.5
147.04381	0.4
148.05168	0.6
158.02679	0.4
167.03436	0.7
184.05136	0.4
193.06432	0.7
205.04883	0.4
213.05394	0.6
225.05530	0.6
226.06239	0.7
227.07028	0.4
229.04932	1.8
240.04240	0.7
243.06514	2.2
244.07312	0.6
250.58652	0.3
253.05016	1.2
254.05721	0.9
255.06493	1.2
257.04434	3.6
268.03674	0.4
271.06000	1.7
272.06879	0.7
273.12601	0.4
281.04465	0.9
282.05170	2.2
283.06042	2.0
285.03967	4.2
286.04678	1.1
299.05450	2.6
300.06296	25.6
301.06512	0.5
315.08621	100.0
316.09039	1.9
477.17410	2.2
477.23837	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	477.1398
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
51.46524	0.1
53.03919	0.1
54.00673	0.1
54.46221	0.1
55.01867	0.2
55.05511	0.8
56.82336	0.1
57.03418	0.2
61.02923	0.1
61.56874	0.1
63.99531	0.1
67.05508	1.0
68.99779	0.4
69.03406	0.4
69.07051	0.3
69.33620	0.1
69.89910	0.5
71.04976	0.2
79.05500	0.9
81.02991	0.1
81.03413	0.7
81.07061	1.0
82.24946	0.1
83.04952	0.3
83.08628	0.5
85.02919	0.7
85.06535	0.2
91.05480	0.8
93.07055	0.9
94.06554	0.2
95.04958	0.5
95.08608	0.6
96.21627	0.1
97.02873	0.3
97.06546	0.1
97.10159	0.5
99.04440	0.2
99.08078	0.1
105.07034	0.7
107.04939	0.5
107.08610	0.7
109.02879	0.2
109.06500	0.2
109.10150	0.8
111.08076	0.1
115.05387	0.1
117.03375	0.2
117.07019	0.3
119.04990	0.1
119.08579	0.5
121.02892	0.1
121.06474	0.3
121.10123	0.3
123.08050	0.2
123.11678	0.2
125.09593	0.4
127.03902	0.2
127.11198	0.2
129.07004	0.2
131.04933	0.2
131.08534	0.4
132.05707	2.0
133.06497	0.7
133.10127	0.3
135.04417	0.3
135.08043	0.2
135.11667	0.2
137.05969	0.2
140.01035	0.3
141.06973	0.1
143.08556	0.2
145.04941	0.1
145.06456	0.4
145.10132	0.2
147.04358	0.1
147.08041	0.1
147.11684	0.3
147.41154	0.1
149.09622	0.2
149.13297	0.2
151.11264	0.1
153.01776	0.1
153.09178	0.1
155.08652	0.1
157.06413	0.1
157.10172	0.2
159.11673	0.2
161.05986	0.2
161.09721	0.1
163.07396	0.1
164.00941	0.1
165.09193	0.2
167.07104	0.6
167.14282	0.1
168.00529	2.6
169.12225	0.4
171.08040	0.2
171.11716	0.1
173.09612	0.1
175.11179	0.2
175.14833	0.1
180.75908	0.1
183.04440	0.1
185.05762	0.1
186.01575	1.4
187.07469	0.1
187.11159	0.1
189.11183	0.2
189.12801	0.1
192.00644	0.1
193.12257	0.4
193.15741	0.1
198.06714	0.2
199.11314	0.1
201.05547	0.1
211.03932	0.2
211.16862	0.6
213.05486	0.2
215.14307	0.1
226.06262	0.3
229.04996	1.1
229.18022	0.6
233.15312	0.1
239.03424	0.1
241.05028	0.3
243.06566	0.3
249.14708	0.1
253.05058	0.1
254.05850	0.8
255.06458	0.3
257.04453	2.4
259.09711	0.2
267.15836	0.2
269.04562	0.6
269.07745	0.4
270.05154	0.3
271.06003	1.0
272.06778	1.2
278.24811	0.2
282.05243	0.7
283.06073	0.1
284.03024	0.1
285.03952	6.9
286.04407	0.1
296.25970	0.1
297.07611	0.2
299.02026	0.2
299.05518	7.5
300.06287	59.0
301.06613	0.7
302.04239	0.5
315.08618	100.0
316.08966	1.1
349.21680	0.2
357.24524	0.1
367.22736	0.3
385.23746	0.8
395.88611	0.1
403.24866	0.2
433.25757	0.1
459.27197	0.8
477.11960	0.3
477.23666	0.3
477.28662	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.05517	8.1
57.03442	8.4
57.10310	0.6
65.03939	1.5
67.05512	30.7
69.07071	7.0
70.24762	0.9
71.04971	0.7
79.05077	1.1
79.05505	16.2
81.03450	1.5
81.07064	24.6
83.04971	0.9
83.08623	3.5
85.02966	0.7
85.64816	0.6
91.05489	7.8
93.07056	16.7
95.04996	1.6
95.08619	20.4
97.06521	1.5
105.07043	5.7
107.08604	7.7
109.06546	0.9
109.10164	8.2
117.07040	1.2
119.08598	4.0
121.10143	5.4
123.08075	0.8
123.11705	1.5
125.09673	0.9
131.08585	3.2
133.10141	2.9
135.11713	2.7
145.10153	1.1
147.11676	1.8
159.11700	1.1
173.13263	1.1
204.74483	0.6
222.66382	0.6
261.22391	0.9
304.26270	2.4
335.25830	100.0
336.26285	2.9
388.05423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1036
Annotation	5,7,2'-Trihydroxy-4',5'-methylenedioxyisoflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
53.03949	0.3
55.05505	0.6
57.03445	0.4
57.04800	0.3
65.03944	0.3
67.05502	0.9
68.99812	0.4
69.03446	1.5
69.07069	0.4
70.68204	0.6
70.68539	0.3
71.05006	0.4
73.02900	0.3
79.05492	0.5
81.03419	0.8
81.07059	1.0
85.02924	2.2
91.05485	0.5
95.04957	0.4
95.08604	0.7
97.02898	0.7
97.06525	0.4
105.03387	0.8
105.07050	0.5
107.04952	1.0
107.08624	0.7
109.02888	0.9
109.10165	0.3
121.02869	0.3
121.06492	0.4
121.10145	0.4
123.04419	0.4
123.08173	0.3
124.03985	0.6
125.09637	0.6
131.01280	0.7
131.08658	0.4
133.10152	0.4
134.03618	3.7
135.11725	0.4
137.05988	2.8
138.03130	0.6
149.13365	0.3
153.01843	1.3
155.04910	0.4
161.02335	0.7
164.98894	0.3
166.02673	0.9
167.03413	5.4
179.03358	0.3
179.07108	0.3
181.04971	6.4
181.06503	0.5
184.03697	0.6
187.04053	0.4
189.09113	0.7
201.05452	0.5
202.02531	0.3
209.15494	0.3
211.16899	0.4
213.05469	0.5
216.04224	0.9
217.08629	1.3
223.41414	0.3
227.03432	0.8
228.04123	0.3
229.04938	2.1
230.05858	1.1
231.06627	0.5
233.07854	0.3
243.02750	0.4
243.06615	0.7
243.78207	0.3
244.03677	8.7
245.04228	0.4
245.08055	2.9
253.04932	0.6
255.02917	3.6
257.04520	2.6
259.06165	2.2
259.09619	1.7
271.02380	1.4
272.03210	2.6
272.06235	0.4
273.07635	0.5
282.05423	1.0
283.02390	32.2
284.02945	0.9
285.04059	0.5
287.05557	7.2
287.08902	0.7
297.07626	2.1
299.05551	1.5
299.99252	0.6
300.02722	11.8
300.06311	2.9
313.07022	0.6
314.04169	0.3
315.05060	100.0
315.08707	53.0
316.05426	2.3
316.09103	0.9
354.34720	0.3
380.04788	0.3
477.14069	10.8
477.21872	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2777
Annotation	Ulipristal acetate
Peak:m/z	Relative Intensity
53.03952	3.7
55.01862	2.5
55.05519	14.0
57.03441	3.5
60.49235	1.5
62.06099	35.9
65.03928	1.8
67.05179	2.3
67.05512	38.5
69.03425	1.9
69.07079	8.4
79.05508	21.6
81.03442	3.1
81.07067	30.4
83.04995	2.5
83.08617	7.1
91.05492	11.9
92.05812	1.7
93.07056	27.5
95.04961	1.8
95.08614	24.2
97.10153	3.6
98.06063	3.9
98.98480	10.1
105.07038	9.9
107.08614	10.1
109.06538	1.8
109.10148	8.8
111.08097	1.6
116.41617	1.5
117.07016	2.7
119.08585	6.4
121.06489	1.7
121.10128	10.9
124.01630	2.1
131.08554	3.8
133.06639	1.6
133.10150	2.8
135.11708	7.7
145.10153	3.3
145.19913	1.6
147.11700	3.5
149.13303	3.1
155.01016	3.1
161.13281	3.1
165.12827	1.6
198.05257	2.2
216.06314	4.7
227.12708	2.3
228.13376	2.0
232.14523	2.4
243.20988	2.4
261.22205	5.9
268.85559	1.6
304.26373	23.7
335.25827	100.0
336.26044	2.2
341.50925	1.6
379.83932	1.7
408.83771	1.6
458.26505	6.8
474.53079	1.6
476.27640	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	476.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
53.70887	0.4
54.80941	0.4
55.05503	2.0
55.87380	0.4
56.96568	1.0
57.07071	0.5
61.02914	0.4
65.95739	0.5
67.05514	3.0
69.03425	0.9
69.07066	3.4
71.55073	0.5
73.73901	0.4
79.05496	2.7
81.03426	1.0
81.07063	10.9
83.08622	1.6
85.02918	1.9
91.05482	6.3
92.05829	1.1
93.07050	3.7
95.04948	0.9
95.08051	0.7
95.08614	9.2
97.02892	1.3
97.06524	0.4
97.10171	0.6
99.08092	1.0
105.07037	11.2
107.05008	0.8
107.08612	5.6
109.02885	0.6
109.06554	0.5
109.10208	1.2
115.99934	0.4
116.98644	0.4
117.07040	1.6
119.08591	29.1
121.10141	1.1
123.11720	0.6
125.09612	0.7
125.60664	0.4
127.03906	0.7
131.08562	1.3
133.10136	20.5
134.10481	0.8
135.11707	2.4
137.06047	0.5
145.03876	0.4
145.10098	0.5
146.10921	0.5
147.11710	4.0
149.01143	0.4
175.14835	100.0
176.15211	1.6
193.15929	1.2
266.14777	0.5
273.14917	0.4
280.14279	0.4
280.64487	0.7
281.15140	1.2
281.65134	0.5
348.26208	1.0
366.28003	0.5
377.20590	0.6
384.22485	0.5
385.23694	0.7
440.10995	0.4
459.27670	0.7
473.61182	0.4
476.31409	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	476.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60456	0.5
55.01885	3.4
55.05514	2.9
57.03441	6.9
58.06599	1.7
61.02920	1.2
68.05037	30.0
69.03427	3.7
69.72942	3.3
70.06606	3.9
71.01361	1.5
72.08164	19.3
73.02924	3.9
74.06091	1.4
84.04524	0.9
85.02908	7.0
86.06075	100.0
86.09709	10.6
87.04467	0.8
95.04975	1.1
96.04521	1.2
97.02886	1.1
98.20842	0.8
100.07637	3.1
103.03947	1.3
114.05516	1.3
114.09192	1.9
115.03944	2.7
116.07118	5.6
121.02887	2.0
122.03198	0.7
123.04391	0.8
128.07103	8.6
132.10233	1.8
133.04997	1.9
136.07657	0.6
138.26315	0.7
142.04985	0.6
147.04472	1.4
157.61604	0.6
173.60574	0.6
181.13383	2.2
185.12885	14.4
187.14449	2.9
189.01874	0.6
199.14426	4.3
200.09164	1.0
206.05386	0.9
209.02722	1.2
210.07878	0.9
213.12384	4.4
215.14114	0.8
218.10249	1.4
220.03192	0.9
227.14029	2.0
245.14993	68.8
246.15384	1.0
248.06372	0.9
260.06445	1.4
272.06458	0.9
280.06827	0.8
287.16064	5.1
290.07495	1.2
294.05261	1.2
295.05612	2.1
296.06372	0.9
298.07965	0.7
302.07440	0.7
307.06067	0.7
308.06302	3.0
309.07266	0.7
310.07770	0.7
314.07443	1.8
317.17249	2.0
320.06366	0.6
326.07599	2.1
326.13763	0.6
326.20905	0.7
337.07248	1.9
338.07385	6.2
341.17245	1.5
344.21829	14.9
345.16553	6.8
355.08170	1.0
356.08456	3.6
377.19223	56.8
378.19669	1.0
380.08731	2.0
386.22925	3.3
392.08820	0.8
422.09845	1.0
440.10886	2.0
458.11514	2.9
476.26129	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	476.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.0
55.01870	1.1
55.05517	4.1
57.07089	0.9
59.04996	0.8
67.05510	6.7
67.70348	0.6
69.07076	2.0
70.51792	1.4
70.52148	1.0
71.05014	0.9
79.05490	3.3
81.03454	0.9
81.07063	4.2
83.04996	0.9
83.08627	1.1
85.06541	8.0
86.75297	0.6
91.05492	2.3
93.07054	6.6
95.04980	1.3
95.08616	4.5
97.02919	0.6
97.10164	1.5
98.21012	1.0
99.08100	78.2
105.07045	3.2
107.04965	0.8
107.08592	6.3
109.06523	0.9
109.10168	13.5
118.42383	0.5
119.08581	3.9
121.10150	2.1
123.08094	1.2
123.11719	1.8
125.09570	0.9
131.08591	1.0
133.09146	0.7
133.10133	14.8
135.11713	9.4
137.09610	4.9
145.10089	0.7
147.11699	1.0
151.11205	0.9
163.11197	0.6
171.63225	0.6
175.14861	4.2
177.16371	1.2
193.15892	100.0
194.16237	1.6
202.95381	0.6
239.36061	0.6
264.81812	0.6
334.53915	0.6
367.22635	0.9
384.22519	0.7
385.23828	1.6
459.27252	1.1
476.27054	1.2
477.28806	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40181	0.6
53.03950	1.8
55.01867	2.3
55.05519	3.9
55.05730	0.8
56.96555	1.0
57.03429	1.8
57.07074	0.8
61.56095	0.7
62.07770	0.7
62.11937	0.9
65.03928	1.2
66.10170	0.8
67.05504	4.9
69.03434	5.7
69.07080	4.0
71.04982	3.5
73.02918	0.9
75.33215	0.7
79.05501	6.0
81.03428	4.5
81.07063	10.6
83.08609	1.7
85.02908	12.1
85.06537	2.1
87.00822	3.5
91.03949	1.1
91.05476	8.4
93.06484	0.9
93.07054	12.4
95.04951	3.2
95.08051	1.0
95.08613	9.5
97.02896	4.7
97.06514	0.9
97.10191	1.3
98.97565	1.8
99.04445	1.8
99.08102	1.0
105.01862	3.3
105.07044	11.2
107.04929	2.4
107.08603	20.4
109.02863	3.1
109.06500	1.7
109.10181	4.1
110.10477	0.9
117.07047	2.0
118.07291	0.8
119.08587	26.7
121.06488	2.2
121.10143	2.9
123.11714	4.0
125.09599	1.9
127.03924	4.9
128.98659	0.9
129.01846	0.9
129.06981	1.4
131.08540	2.5
133.10136	81.4
134.10461	1.9
135.08086	1.8
135.11705	53.0
137.06032	0.8
137.09627	2.8
145.05002	2.7
145.10115	1.4
147.04375	1.2
147.08038	0.9
147.11700	6.1
157.10124	1.0
159.02898	1.9
161.09581	1.0
165.09158	1.0
167.07080	0.9
173.13287	1.1
175.14838	100.0
176.15135	1.7
193.15892	67.3
194.16299	1.3
201.32187	0.8
210.15752	1.0
211.16940	17.9
213.09218	0.7
231.04988	1.6
234.99017	1.0
274.18796	0.7
344.71783	0.9
367.17868	1.9
384.22641	1.4
385.23669	2.2
459.27249	2.3
476.26764	3.9
476.32809	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	476.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03407	7.5
65.88186	5.5
67.05509	6.9
69.03425	23.5
69.20796	21.5
69.21217	37.2
70.06590	5.8
73.02917	8.3
79.05484	13.3
81.07044	11.2
85.02898	23.8
87.04483	16.0
91.05482	14.5
93.07041	19.0
95.08598	30.8
97.02897	26.6
99.08112	5.7
105.07040	58.2
107.08610	30.5
109.06567	6.7
115.03935	23.3
119.08594	58.3
121.10085	6.9
127.03872	8.9
133.04953	22.3
133.10155	72.6
135.10793	5.5
135.11707	38.6
137.05965	8.9
145.04973	9.0
165.09111	24.1
175.14839	100.0
193.15894	14.8
202.00810	5.4
210.24309	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	476.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.8
55.58993	0.9
57.02194	1.0
58.18781	1.0
60.06288	1.2
62.36487	0.9
67.05508	2.0
69.03419	3.4
69.07080	6.9
69.13200	0.9
69.39938	2.4
69.40341	5.7
71.09198	0.9
71.51720	1.0
73.70966	0.9
79.05499	1.6
80.61589	1.0
81.03426	3.3
81.07070	3.1
83.08613	1.7
85.02913	8.1
87.00835	3.1
91.05486	3.9
93.07044	2.6
95.04989	1.3
95.08620	3.5
97.02906	3.6
105.01888	3.6
105.07053	8.4
107.08607	3.7
109.02893	2.7
109.10197	1.3
119.08591	29.8
121.10162	3.3
127.03914	6.3
131.08540	1.4
133.10149	22.8
135.11743	2.1
137.09666	1.2
145.04971	2.5
145.10118	1.9
147.11725	6.2
159.02924	2.1
175.14842	100.0
176.15215	1.5
177.16405	2.6
193.15906	4.5
235.91315	1.0
294.43277	1.0
348.29929	1.2
476.32620	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	3.1
53.03951	12.3
55.01880	8.4
55.05514	29.6
57.03443	7.4
57.07072	3.6
57.26403	1.7
65.03951	6.1
65.21130	1.7
66.56705	1.6
67.05509	82.9
68.06863	1.8
69.03435	3.1
69.07070	28.0
69.97666	8.2
71.05009	6.4
79.05497	100.0
81.03420	15.4
81.07059	95.0
83.04994	16.0
83.08622	17.7
85.06554	6.4
86.67979	1.6
91.05482	70.9
93.07049	87.8
95.04957	24.3
95.05458	2.0
95.08612	38.8
97.06551	12.7
97.10217	3.5
98.21461	2.7
99.08089	2.3
103.05463	1.9
105.04546	3.1
105.07037	44.0
105.07672	3.3
107.04967	9.8
107.08601	35.8
109.06536	7.1
109.10181	7.6
111.08105	7.0
115.05509	3.0
117.07011	16.6
119.08600	26.0
121.06544	2.6
121.10139	15.3
123.08102	5.2
123.11742	3.7
127.07540	2.4
128.06258	3.0
129.07034	13.6
131.08568	12.8
133.06526	2.5
133.10164	15.4
135.11668	8.7
143.08548	8.6
145.10089	12.5
147.08078	3.9
147.11697	32.9
147.12747	2.1
149.13268	25.0
155.08643	2.1
159.11685	11.2
161.09726	4.0
161.13269	11.0
171.11682	24.5
177.12830	5.5
181.09962	1.9
189.12743	11.9
193.12230	2.0
195.13786	9.0
199.97330	1.8
201.91344	1.8
207.13797	29.1
218.41179	1.8
225.15001	3.9
270.60260	1.9
292.91208	2.1
475.30905	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23613	1.8
53.03953	11.2
55.01880	3.6
55.05513	28.8
57.03458	6.9
65.03967	7.9
65.87973	1.8
67.05508	96.2
69.07070	28.6
71.05025	2.8
77.03969	2.1
79.05500	95.7
81.03419	15.9
81.07066	100.0
83.04986	14.7
83.08633	14.3
85.06592	5.7
91.05487	73.0
93.07050	93.1
95.04979	20.2
95.05460	1.7
95.08619	33.9
95.09177	2.7
97.02934	3.1
97.06537	13.6
97.10221	5.1
98.21565	2.8
99.08145	1.8
105.04537	3.7
105.07038	47.1
106.17849	1.8
107.05013	7.8
107.08602	36.3
107.09277	2.1
109.06518	9.1
109.10206	6.9
111.08150	6.9
112.53624	1.7
115.05518	2.3
116.56146	1.7
116.67783	1.8
117.07027	17.2
119.08591	27.0
120.92979	1.9
121.06544	3.9
121.10162	17.0
123.08090	4.5
128.06314	3.7
129.07002	15.0
130.38225	2.0
131.08614	14.1
132.03798	2.0
133.06589	3.7
133.10141	19.0
135.08096	3.7
135.11667	10.1
143.08647	8.7
145.06586	1.9
145.10092	9.7
146.85974	1.9
147.08128	3.2
147.11703	32.8
149.13281	26.0
159.11671	10.4
161.09654	2.6
161.13258	9.8
163.11319	2.6
168.26912	1.9
171.11696	24.4
172.95369	2.0
175.05042	1.9
177.12839	5.1
189.12756	12.2
195.11974	1.9
195.13908	4.9
207.13820	26.1
224.15529	1.9
227.12862	3.2
260.62836	2.2
295.16281	2.0
394.05328	1.8
402.56271	2.0
475.30869	67.3
476.31363	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	475.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	3.5
55.01884	5.5
55.05508	2.6
56.76400	2.4
57.03435	3.1
65.03941	3.7
67.05492	5.2
67.07545	2.3
68.99777	2.3
69.03432	8.8
69.07082	2.2
69.21310	11.0
69.21732	10.4
70.06582	2.5
71.04982	6.8
73.02930	2.8
81.03409	6.7
81.07054	4.0
84.04462	2.3
85.02914	21.0
85.06531	4.5
86.09703	2.9
87.00843	4.2
87.92811	2.4
89.79428	2.6
91.05476	6.6
92.91859	2.6
93.07046	7.9
95.04971	37.8
95.08600	4.8
97.02894	4.2
97.06550	2.7
98.20781	4.3
99.04450	16.0
99.08091	4.0
105.07030	4.2
107.04939	3.2
107.08595	8.7
109.02894	6.4
109.06496	4.1
109.10172	15.3
111.08094	2.3
115.05457	3.0
119.04935	7.3
119.08586	3.0
121.01946	3.0
121.02872	35.8
121.10157	4.7
122.02805	2.3
123.11725	6.1
127.03915	7.0
131.04974	2.6
131.08592	4.0
133.04973	2.9
133.10147	33.1
133.88968	2.1
135.11708	3.3
140.07098	2.6
145.01740	3.4
145.02835	4.7
149.09607	3.3
151.11195	8.2
153.09120	12.8
161.00238	2.5
161.32826	2.5
163.02713	3.4
163.03941	4.0
163.11218	2.8
169.12257	4.0
173.02361	3.1
173.13298	15.2
177.01811	2.9
187.03998	4.9
189.01848	7.8
190.02592	2.5
191.03368	7.0
191.14301	25.1
195.02856	4.0
199.03876	2.3
201.05478	2.9
203.03432	4.0
204.04428	2.7
207.02882	8.4
209.15381	40.6
213.05464	3.6
215.03384	4.3
217.05037	2.7
219.02921	7.8
227.16393	5.3
229.04962	3.8
243.02873	2.7
253.04948	4.1
255.02771	12.3
257.04312	4.2
267.03027	3.2
268.07254	3.4
273.12738	4.0
279.06628	2.8
280.07336	3.2
281.04517	5.9
281.08194	8.4
283.06082	7.9
291.06369	3.7
293.04593	4.3
293.08066	4.3
294.05243	30.3
295.05966	20.6
295.16031	3.7
296.06665	3.0
297.07538	4.9
307.06055	37.3
308.06677	10.4
309.04166	4.9
309.07559	13.3
317.08221	4.8
319.05881	7.7
320.06772	8.3
321.04071	4.4
321.07611	13.8
322.08389	5.9
323.09290	4.9
325.07108	42.1
333.07541	14.6
335.05511	3.3
335.09149	6.4
336.06195	3.6
337.07050	55.3
337.10492	2.0
339.08517	3.3
345.07437	5.1
347.09177	5.3
349.07108	8.5
351.04898	2.6
351.08502	11.3
355.08160	26.9
357.07690	3.9
360.06259	2.9
361.07101	17.1
367.08194	5.9
373.07037	12.0
374.07852	5.4
375.08704	8.8
379.08173	48.9
385.07117	9.5
389.06213	3.2
391.08072	24.9
399.08636	4.0
401.10626	13.6
403.08282	15.3
409.08984	5.5
419.11154	9.7
421.09174	11.9
427.08170	18.6
429.09802	15.4
439.10437	19.5
447.10477	3.3
457.09485	49.0
457.19330	2.5
458.09888	3.7
475.10336	100.0
475.20505	11.2
476.10666	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	475.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
55.01879	3.8
55.05517	5.3
57.03436	5.3
61.02924	5.2
67.05511	9.8
69.03439	20.0
69.07051	4.9
70.06565	3.4
70.09435	6.1
71.04997	8.4
79.05499	7.6
81.03427	13.8
81.07060	17.7
83.04980	4.5
85.02910	41.1
85.06551	16.1
86.09743	2.1
87.00835	13.1
91.05489	12.1
93.07061	18.4
95.04979	12.6
95.08612	14.9
95.41211	2.2
97.02883	10.2
97.06512	5.4
98.97587	2.6
99.04459	26.2
99.08118	8.3
105.01872	9.7
105.07031	33.8
107.04981	9.6
107.08634	14.7
109.02905	11.6
109.06538	7.2
109.10157	10.8
119.08588	38.2
121.02848	2.2
121.06559	3.6
121.10155	15.7
123.11744	3.9
125.09621	3.2
127.03933	22.5
127.11188	3.4
131.08603	16.3
133.10144	51.6
133.11095	3.8
135.11696	3.2
137.05981	2.4
143.08575	2.8
145.04974	8.2
145.10141	7.1
147.04417	3.2
147.11678	9.8
149.09653	3.3
149.13258	9.5
151.11220	5.7
153.09166	2.5
158.10895	3.8
159.02939	4.0
161.13277	41.1
162.03165	11.6
163.14859	4.0
165.01952	2.2
167.07097	5.3
173.13277	47.7
179.14326	12.0
191.14343	32.7
193.08647	3.0
197.15300	2.6
209.15387	100.0
227.16451	49.1
231.05037	2.9
239.09225	2.3
281.04456	4.7
283.06085	7.5
298.04865	11.8
313.03714	3.2
313.07083	52.5
331.05057	3.6
337.07211	4.2
347.30756	2.1
355.08096	3.2
363.08978	14.4
375.54303	2.4
416.16275	2.4
439.10297	5.2
457.11398	3.5
475.21643	96.6
475.27362	4.6
476.22110	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
55.01879	3.8
55.05517	5.3
57.03436	5.3
61.02924	5.2
67.05511	9.8
69.03439	20.0
69.07051	4.9
70.06565	3.4
70.09435	6.1
71.04997	8.4
79.05499	7.6
81.03427	13.8
81.07060	17.7
83.04980	4.5
85.02910	41.1
85.06551	16.1
86.09743	2.1
87.00835	13.1
91.05489	12.1
93.07061	18.4
95.04979	12.6
95.08612	14.9
95.41211	2.2
97.02883	10.2
97.06512	5.4
98.97587	2.6
99.04459	26.2
99.08118	8.3
105.01872	9.7
105.07031	33.8
107.04981	9.6
107.08634	14.7
109.02905	11.6
109.06538	7.2
109.10157	10.8
119.08588	38.2
121.02848	2.2
121.06559	3.6
121.10155	15.7
123.11744	3.9
125.09621	3.2
127.03933	22.5
127.11188	3.4
131.08603	16.3
133.10144	51.6
133.11095	3.8
135.11696	3.2
137.05981	2.4
143.08575	2.8
145.04974	8.2
145.10141	7.1
147.04417	3.2
147.11678	9.8
149.09653	3.3
149.13258	9.5
151.11220	5.7
153.09166	2.5
158.10895	3.8
159.02939	4.0
161.13277	41.1
162.03165	11.6
163.14859	4.0
165.01952	2.2
167.07097	5.3
173.13277	47.7
179.14326	12.0
191.14343	32.7
193.08647	3.0
197.15300	2.6
209.15387	100.0
227.16451	49.1
231.05037	2.9
239.09225	2.3
281.04456	4.7
283.06085	7.5
298.04865	11.8
313.03714	3.2
313.07083	52.5
331.05057	3.6
337.07211	4.2
347.30756	2.1
355.08096	3.2
363.08978	14.4
375.54303	2.4
416.16275	2.4
439.10297	5.2
457.11398	3.5
475.21643	96.6
475.27362	4.6
476.22110	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2157
Annotation	SILDENAFIL
Peak:m/z	Relative Intensity
55.05534	0.6
62.55308	0.5
67.05501	1.0
69.03439	1.6
71.02380	0.5
71.56382	0.7
79.05470	1.0
80.55262	0.6
81.07049	2.0
83.11575	0.5
85.02914	2.9
86.09712	0.9
91.05478	2.4
93.07047	1.4
93.65722	0.5
95.04946	1.0
95.08623	1.5
97.02882	0.8
98.03114	0.6
98.97562	0.8
105.07032	2.4
107.08617	1.6
114.10927	0.5
117.06991	0.7
119.08604	2.6
120.08911	1.0
121.02875	0.6
121.10159	1.1
123.11688	0.6
125.51431	0.5
127.03912	0.6
129.07065	0.6
131.08566	2.4
132.08902	1.4
133.10110	1.9
135.11720	1.2
137.06004	1.2
143.08540	1.1
145.04971	0.6
145.10091	1.7
146.10469	0.8
147.11690	1.1
148.12062	1.1
151.04007	0.6
151.07611	1.0
156.45044	0.6
158.10904	0.9
159.11259	0.9
173.13290	5.3
174.13603	6.5
175.14841	1.8
191.14275	1.3
192.14676	0.9
209.15414	0.7
253.11203	1.8
271.12265	0.7
298.39642	0.6
313.07095	0.8
337.07083	0.8
343.17331	4.5
415.16373	2.4
475.21558	100.0
475.32666	5.1
476.21747	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38837	4.3
51.55071	4.1
53.03941	9.8
54.00840	4.4
55.01865	5.2
55.05503	10.9
56.96558	9.5
57.03447	5.2
57.42419	4.6
59.42832	3.9
61.02914	5.2
62.32975	4.8
65.03951	4.4
66.63873	4.5
67.05509	21.5
69.03433	32.4
69.07071	15.5
70.29279	9.1
70.29671	9.9
71.04997	12.6
73.02900	5.3
77.12671	4.8
77.97813	5.1
79.05495	14.8
81.03435	25.1
81.07066	34.8
83.04995	5.5
83.08622	7.1
84.08147	11.1
85.02921	44.5
85.06535	15.4
86.09706	9.5
86.25882	5.2
87.00835	13.6
91.05489	30.7
93.07053	30.9
95.04997	21.3
95.08630	26.3
97.02920	11.8
97.06551	7.6
97.10143	4.5
99.04465	26.9
99.08096	6.8
99.40501	5.1
103.05460	7.2
105.01894	11.3
105.06464	5.0
105.07047	46.9
107.04938	7.8
107.08605	28.9
109.02893	12.7
109.06511	9.7
109.10162	24.2
111.08076	5.8
115.23163	4.8
116.13811	4.5
117.07010	7.8
119.08588	45.5
121.02888	8.5
121.06510	9.5
121.10159	22.9
122.03654	5.1
123.04513	5.4
123.08032	5.2
123.11733	4.7
125.09595	5.8
127.03939	25.9
129.07021	7.6
131.04993	5.1
131.08572	32.6
133.10141	100.0
133.11081	7.7
134.10493	7.1
135.08125	5.4
135.11665	10.6
137.05988	17.6
145.04967	13.6
145.10107	16.9
147.04343	7.3
147.11682	15.5
149.13293	13.5
151.07567	15.4
151.11206	13.1
153.09073	6.8
157.10080	6.3
158.10876	8.5
159.02946	6.5
161.09598	13.1
161.13237	32.7
163.07585	6.2
163.11174	8.0
165.09167	5.5
167.07048	10.8
171.11673	5.6
173.13266	72.7
175.14844	9.6
179.14372	6.5
185.90305	5.2
191.14330	53.9
197.15295	5.0
209.15384	93.6
227.16466	18.3
231.05103	7.1
298.04770	5.8
309.07529	5.9
313.06927	9.6
313.14078	5.2
323.08926	6.4
337.07104	7.3
347.66702	4.4
355.08447	5.9
379.07968	11.5
383.22452	6.0
457.25723	6.2
475.20984	5.2
475.26846	19.6
475.32712	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	475.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32600	1.3
53.52200	1.4
55.01873	9.4
56.96560	1.5
57.03433	4.5
61.02925	4.8
65.03952	2.7
67.01869	1.6
67.05509	3.9
68.90632	1.4
69.03425	3.4
70.06596	2.4
72.08162	3.9
79.05501	1.7
81.03416	6.4
83.01337	2.4
83.04982	1.4
84.04460	1.8
85.02909	23.8
86.06085	2.5
86.09737	2.9
86.15956	1.4
90.47913	1.7
91.05492	2.6
93.03424	4.3
95.01346	3.1
95.04990	2.2
97.02895	7.8
98.13596	1.3
103.03952	4.9
103.05418	1.8
105.03440	2.4
105.07040	1.9
107.04986	4.6
109.02927	7.2
115.05473	2.4
116.98051	1.4
117.06960	1.5
119.04949	10.9
121.02881	37.5
123.04443	6.4
127.03918	1.9
128.06252	1.6
129.07024	2.0
131.04913	4.5
133.06519	3.0
135.04428	6.1
137.02312	2.2
139.03899	2.7
141.07025	1.6
144.40932	1.4
145.02882	7.0
145.06468	2.9
147.04427	6.1
149.02373	4.0
149.06015	1.8
151.03928	4.5
152.06255	1.5
153.06989	1.6
157.06523	2.9
159.04446	6.5
161.02342	2.7
161.06035	4.6
163.03906	10.1
165.01901	1.5
165.05469	2.2
165.06990	1.4
167.03426	3.3
169.04984	1.3
169.06516	2.3
171.04494	6.6
173.02385	4.8
173.05997	3.5
175.03928	14.2
175.07600	1.9
176.01039	3.7
177.01907	4.0
177.05467	12.2
179.03430	2.7
181.04974	19.9
181.06482	2.3
185.06021	6.3
187.03908	17.2
187.07599	2.2
189.01859	9.3
189.05492	11.9
190.02631	2.6
191.03404	13.4
191.07092	2.8
193.04973	28.2
194.02222	1.7
195.02879	2.2
197.06006	4.2
199.03923	5.6
199.07716	3.1
201.01883	5.8
201.05502	14.9
203.03368	7.7
203.07082	6.2
205.04987	32.5
207.02872	4.8
207.06532	2.3
211.04063	1.9
211.05957	3.2
211.07719	1.7
213.05450	11.3
215.03580	2.1
215.07063	3.5
217.04909	21.1
219.02954	20.9
219.06451	17.3
221.04390	12.0
223.05989	23.1
225.05499	5.1
227.07059	5.3
229.04950	18.0
229.19681	1.6
231.02988	2.3
231.06546	12.0
233.04448	3.9
235.05939	12.6
237.05589	3.0
238.06102	1.7
239.07097	5.5
241.04997	12.8
242.05698	1.8
243.02834	1.6
243.06580	13.1
245.04475	2.9
245.08075	6.9
247.06039	63.7
249.07736	3.2
251.07178	2.1
253.04904	9.3
254.05733	3.3
255.06532	8.1
256.07333	1.6
257.04510	4.7
257.08051	4.5
259.06039	57.3
260.06372	1.6
261.07602	3.5
263.07196	1.6
265.04919	3.2
266.05807	1.8
267.06537	7.9
268.07217	2.4
269.08124	4.2
271.06027	28.4
273.07510	9.6
277.07080	23.4
279.06387	7.8
280.07278	2.9
281.08063	14.3
283.06049	20.2
284.06760	2.8
285.04153	2.8
285.07593	8.7
287.05719	2.6
289.07089	54.3
291.06400	3.2
293.08325	2.9
294.05258	42.3
295.05856	17.0
296.06827	3.5
297.07571	17.7
298.08450	2.4
299.05630	2.2
299.09113	3.2
301.07065	40.6
307.05579	42.7
308.06729	10.3
309.07578	19.1
311.09247	4.9
313.06927	49.4
315.08505	3.2
319.05594	6.1
319.08255	12.9
321.07578	6.2
322.08319	1.7
325.06876	35.7
325.09454	34.7
327.08453	2.7
329.64902	1.5
331.08096	4.5
333.07419	2.3
336.06177	1.7
337.06918	100.0
338.07339	3.3
339.08661	4.9
343.08130	33.9
343.11923	2.6
347.09146	2.0
349.07108	4.6
351.08688	5.7
355.07959	78.4
357.09784	1.7
361.09415	19.4
367.08185	17.1
373.09265	27.5
379.08383	25.4
385.09235	13.8
391.10593	26.9
403.10544	15.8
409.10168	3.5
421.10513	18.8
439.10696	23.7
457.11304	31.8
475.11838	6.7
475.22165	2.8
487.32324	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43084	0.7
55.01876	0.9
55.05513	1.9
56.96552	1.4
65.03925	6.0
67.05498	3.3
68.99789	1.3
69.03410	1.2
69.07070	1.9
71.05008	0.9
71.54965	1.5
72.11153	0.7
79.05505	3.1
81.03406	2.3
81.07035	4.0
83.08617	1.7
83.46848	0.8
85.02905	3.0
87.00848	1.2
91.05486	100.0
91.96377	0.9
93.03424	4.1
93.07040	1.8
95.04978	2.6
95.08598	2.8
97.02905	1.9
99.04449	2.0
103.05481	1.4
105.07034	5.5
107.04954	2.0
107.08592	2.4
109.10158	1.9
115.05479	1.1
117.07038	1.0
119.04918	1.1
121.02885	1.3
121.10159	1.3
123.11719	1.1
129.20192	0.8
131.04950	1.7
131.08562	0.9
133.06485	2.2
133.10132	1.4
135.04517	1.0
145.10106	1.5
147.04463	1.5
149.02368	1.0
159.04439	1.2
161.02312	1.2
161.06032	1.5
163.14832	1.7
167.03384	2.0
173.02422	1.5
173.09677	1.4
175.03929	1.0
175.11261	1.1
177.97130	0.8
179.03427	2.9
187.03941	1.2
191.03392	4.7
197.04428	1.1
201.05475	1.1
203.03368	3.4
215.03426	2.7
221.09653	1.6
229.04980	1.4
233.04475	7.2
239.07040	2.8
245.04388	1.5
247.12917	1.0
251.07176	1.5
257.04361	2.3
257.08084	3.2
263.05338	0.9
265.08530	1.4
269.08087	2.0
275.05539	1.3
279.10239	1.7
281.07928	2.0
293.08096	17.3
293.11368	1.0
305.08267	0.8
307.05905	1.0
307.09607	1.0
311.09158	6.4
317.08026	2.2
323.09311	2.8
335.09183	19.2
353.10120	7.4
355.08212	0.9
357.81516	1.1
383.22232	2.4
401.23566	0.9
409.09137	1.1
419.24490	0.9
421.09186	1.7
439.10254	7.1
457.11221	3.4
457.25739	2.5
475.20480	1.3
475.26859	6.2
475.32788	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1243
Annotation	Germanaism B
Peak:m/z	Relative Intensity
53.03939	0.8
55.01852	1.1
57.03403	1.4
65.03918	1.4
67.05485	0.9
68.99763	0.6
69.03405	1.1
70.06577	0.8
71.55344	0.4
71.89144	0.3
73.02890	0.4
79.05470	1.0
81.03403	0.9
83.04965	0.6
84.04501	0.8
85.02915	4.1
86.09720	3.0
87.04474	1.8
91.05455	1.4
92.03130	0.3
93.03399	3.0
93.07036	0.9
95.04938	1.1
95.08568	0.4
96.33035	0.4
97.02867	0.6
97.06538	0.4
97.56852	0.4
98.97533	0.5
99.04417	0.5
103.03944	0.4
105.03362	0.9
105.07004	1.0
107.04949	2.0
107.08614	0.6
109.02847	1.0
111.04459	2.0
115.25430	0.4
116.50906	0.3
117.03391	0.5
119.01903	0.7
119.04937	6.1
121.02876	26.1
123.04399	1.0
127.03911	0.9
131.04926	0.6
133.02847	0.7
133.10101	1.0
135.04471	1.8
137.02328	0.8
137.09639	0.4
139.03860	1.5
141.01788	0.5
143.01875	1.2
145.02835	4.8
145.06438	0.6
147.04388	1.4
149.02341	1.2
151.03888	2.2
153.01756	0.7
155.03368	0.5
157.02908	0.4
159.04451	0.6
161.02254	3.5
161.09535	0.5
163.03935	2.7
165.01828	0.8
165.09052	0.6
167.03391	1.1
168.04092	0.5
173.02368	1.6
175.03879	1.5
176.01019	2.6
177.01897	2.5
177.05389	0.7
179.03412	8.1
181.04948	1.3
187.03896	1.7
189.01837	16.2
189.03577	0.8
189.05478	0.6
190.02542	2.2
191.03395	7.3
193.04904	0.8
194.02126	2.0
195.02858	1.2
197.04504	1.9
197.06047	0.7
201.01794	2.0
201.05420	0.7
203.03392	5.8
205.04945	0.5
207.02898	13.7
208.03658	0.4
209.04436	0.7
209.15308	0.5
213.01837	0.5
213.05461	0.8
215.03314	1.1
217.04955	0.6
219.02917	5.7
221.04442	1.9
223.07693	0.6
225.03777	1.7
229.04936	1.4
231.02892	3.0
233.04359	0.9
239.03311	0.5
239.07080	0.9
240.07870	0.5
241.05025	0.7
243.02821	1.0
247.02393	1.7
249.03963	1.1
251.07117	1.2
253.05058	0.4
253.08397	0.4
254.06029	0.5
255.06540	0.9
257.04486	0.9
259.02368	0.9
259.06030	0.6
263.07019	1.1
266.05655	0.4
267.06525	6.0
268.07285	7.1
269.05377	0.5
269.07928	2.3
271.05988	0.4
273.03943	0.7
275.05447	0.7
278.05756	0.6
279.06564	7.6
280.07251	2.9
281.08054	5.3
282.05185	0.5
283.06009	3.8
284.03741	0.6
284.06763	3.5
285.03995	1.0
291.06482	1.8
292.07361	0.7
293.04761	0.6
293.08051	3.1
294.05246	27.9
295.06009	19.2
295.09402	0.8
295.17542	0.7
296.06784	7.5
297.07578	30.2
298.08344	3.6
303.04947	0.4
305.07956	1.0
307.06015	59.4
308.06787	18.3
309.07553	9.7
310.08295	0.7
313.07077	10.5
313.18771	0.4
314.07574	0.4
317.08292	0.6
319.06018	10.6
320.06732	5.1
321.03879	0.6
321.07620	11.1
322.04858	0.7
322.08377	0.9
323.05536	1.2
323.09064	0.8
324.06223	0.4
325.07071	87.1
326.07748	10.7
331.05914	0.5
333.07529	1.5
334.04712	0.5
334.08401	0.6
335.05508	4.4
335.09271	1.4
336.06250	3.2
337.07065	100.0
338.07407	1.5
339.04883	0.6
339.08658	4.7
341.06613	0.9
347.05475	1.0
347.09256	2.0
348.05939	0.4
349.07101	9.6
350.07855	1.5
351.04916	0.4
351.08667	6.8
353.06583	21.8
354.07217	3.1
355.08133	13.6
357.07800	0.5
359.05264	0.4
361.07074	5.9
362.07578	0.6
363.08633	1.8
364.09192	0.7
365.06488	4.8
365.10370	3.0
367.08121	12.1
371.07690	1.0
373.07217	0.9
375.08652	3.2
377.06537	6.7
379.08142	8.7
383.07639	1.2
385.09073	1.4
389.06607	0.7
391.08105	13.6
392.08557	0.9
393.09680	11.9
395.07797	3.8
401.10583	0.8
403.08197	2.6
409.09308	0.7
411.10736	1.8
413.08554	0.7
415.08035	0.7
421.09186	30.0
422.09720	0.8
429.09970	1.3
433.23010	0.7
439.10269	73.3
440.10428	1.8
457.11331	34.6
458.11377	1.1
475.11511	11.9
475.25558	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	475.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.3
55.01818	0.5
57.03365	1.4
57.03666	0.4
61.02851	2.6
61.03197	0.3
61.30762	0.2
61.96600	0.2
64.45643	0.2
65.03873	1.2
67.05430	1.2
68.99733	0.7
69.03355	0.6
70.79238	0.5
70.79569	0.3
73.02829	1.1
77.03901	0.3
79.05407	0.8
81.03344	0.9
83.04906	0.3
85.02911	4.0
86.09664	0.5
86.39497	0.2
89.03867	0.4
91.05474	1.5
93.03412	1.8
95.04959	1.4
97.02819	0.5
98.89611	0.2
99.04390	0.2
103.03941	2.4
103.05383	0.4
105.03395	1.1
105.06982	0.3
106.04076	0.2
107.01266	0.3
107.04980	1.1
109.02861	1.0
111.04472	1.2
114.49516	0.2
115.05438	0.2
117.06894	0.3
118.04121	0.3
119.04949	5.2
121.02873	22.7
123.00713	0.2
123.04369	0.7
131.04829	0.6
133.02762	0.8
133.06485	0.2
135.04453	1.4
137.02278	0.3
137.05937	0.3
139.03769	0.4
141.01743	0.3
145.02855	5.5
147.04390	1.5
148.01581	0.4
149.02254	0.8
151.03830	0.6
157.06358	0.3
159.04315	0.6
161.02283	1.5
161.05948	0.3
162.03123	0.3
163.03923	3.5
165.01718	0.7
167.03305	0.7
171.04303	0.6
173.02345	3.8
173.05910	0.3
174.02997	0.2
175.00249	0.2
175.03877	1.0
176.01064	4.7
176.04698	0.3
177.01860	2.2
177.05453	0.4
179.02052	0.2
179.03400	2.8
179.08507	0.2
180.04053	0.3
181.05035	1.9
183.04346	0.2
185.05807	0.2
187.03932	1.6
189.01833	11.3
189.05374	0.4
190.01230	0.2
190.02623	2.7
191.03392	11.2
192.03674	0.2
193.04927	0.3
194.02135	1.9
195.02939	1.1
195.08051	0.2
197.04356	0.3
197.06067	0.3
199.03867	0.4
201.01842	2.4
201.05391	0.9
203.03372	1.9
204.04167	0.4
205.05025	1.2
207.02887	7.0
208.03557	0.6
209.04448	1.8
211.03917	0.3
213.01660	0.3
213.05421	0.4
215.03403	1.5
217.04912	0.5
218.02040	0.5
219.02902	11.5
220.03128	0.3
221.04370	0.6
223.07535	0.4
227.03427	0.4
227.06979	0.3
229.05086	1.2
231.02914	1.0
233.04430	1.5
235.07574	0.3
237.03908	0.9
239.03328	0.5
239.07074	1.0
240.07684	0.3
243.02928	0.5
243.13396	0.2
245.04419	0.7
247.02304	0.5
247.05962	0.7
249.03917	0.3
251.06967	0.7
252.07733	0.5
253.08521	0.6
254.05702	0.3
255.06429	0.6
256.07031	0.3
257.04474	1.1
259.06082	0.4
261.03882	0.5
262.06213	0.4
263.06931	1.3
265.04910	0.3
265.08685	0.2
266.05710	0.8
267.06522	2.9
268.07333	2.6
269.07968	0.8
270.05148	0.4
270.08682	0.2
273.03909	0.3
275.05615	0.2
279.06543	3.7
280.07309	3.5
281.08087	9.6
282.08670	0.3
283.06030	3.7
284.06778	2.9
285.03885	0.9
285.06812	0.2
286.04895	0.2
290.05594	0.2
291.06577	3.2
292.07098	0.6
293.04388	0.6
293.08069	1.6
294.05237	42.1
295.06003	13.3
295.09137	0.3
296.06784	3.2
297.07562	8.2
298.08319	1.6
304.07260	0.6
305.08096	1.0
307.06015	49.6
308.06772	14.1
308.09778	0.3
309.07590	15.9
310.08066	0.7
313.07080	4.8
317.07980	0.4
318.08917	0.2
319.06046	12.6
319.09216	0.5
320.06662	2.0
321.03970	0.4
321.07556	4.9
322.04770	0.4
322.08295	2.1
323.05658	0.4
323.09088	0.9
325.07077	35.5
326.07388	0.9
329.08148	0.4
332.06610	0.2
333.07526	2.4
334.08212	0.6
335.05521	0.7
335.09229	0.8
336.06296	3.4
336.09991	0.2
337.07065	100.0
338.07501	2.8
339.08688	1.6
345.07489	0.6
347.09140	1.6
348.06287	0.5
349.07101	3.5
350.07913	1.1
351.05496	0.3
351.08649	6.7
351.12735	0.4
352.09030	0.4
353.06546	1.0
355.08139	59.4
356.08368	1.7
357.07635	0.3
360.06635	0.3
361.07053	3.7
362.07822	0.2
363.08560	1.1
365.06418	0.8
365.10287	2.2
367.08136	8.1
368.08490	0.3
373.07101	0.7
375.08643	2.4
377.06580	0.4
379.08133	26.7
380.08737	1.2
385.08978	0.4
391.08145	14.5
392.08582	0.5
393.09680	1.3
397.09119	0.5
401.10214	0.7
403.08160	5.8
409.09225	4.3
411.10800	0.3
421.09201	15.9
422.09775	0.6
439.10275	19.0
440.10825	0.6
453.60699	0.2
457.11328	35.2
458.11490	1.2
469.30405	0.3
475.12186	8.3
476.12204	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63760	1.4
53.05745	1.6
55.01872	3.1
55.05516	3.1
56.72429	1.6
57.03449	2.0
57.07071	3.7
64.44336	1.8
67.05506	6.5
69.03438	6.2
69.07064	2.3
70.74812	4.4
71.04993	6.5
71.96759	1.6
75.22691	1.6
79.05498	5.6
81.03413	6.7
81.07058	7.4
85.02919	7.7
85.06547	3.2
87.00830	5.3
91.05470	6.2
93.07060	4.6
95.04974	3.9
95.08607	6.8
97.02880	3.7
97.06544	1.9
105.07036	6.4
107.08604	9.8
109.06526	100.0
109.10159	26.9
117.06992	3.0
119.08591	2.3
121.10156	6.8
123.08075	10.3
127.03939	6.9
131.08569	13.1
133.10123	9.6
135.08073	40.7
139.19687	1.8
144.80603	1.7
145.05019	2.5
147.11720	2.1
149.09618	4.6
153.09081	3.7
158.10878	1.9
159.02866	1.7
163.11221	1.8
173.13295	18.4
191.14325	77.3
209.15379	67.5
209.17381	3.5
299.81009	2.0
441.44839	1.9
475.26538	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	474.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.2
67.05493	8.5
68.08444	1.6
69.03426	5.5
69.07059	5.3
70.58360	1.8
71.04987	17.8
74.31324	1.6
79.05492	8.7
81.03408	6.8
81.07046	11.6
83.08614	5.2
85.02895	13.7
85.06547	9.0
91.05484	15.7
93.07057	16.1
95.04976	3.7
95.08611	17.9
97.02872	4.3
97.06533	17.2
98.97597	2.5
105.01874	5.7
105.07037	17.4
107.08620	21.9
109.02897	2.0
109.05856	1.8
109.06486	10.0
109.10167	5.0
111.08090	4.7
117.06975	3.5
119.08557	13.1
121.10143	35.2
123.08072	4.1
127.03934	4.6
129.07086	2.5
131.08560	9.9
133.10136	100.0
135.08037	17.1
135.11658	2.0
137.09717	1.9
145.10147	4.5
147.11696	22.5
149.09624	2.8
149.13235	17.5
158.10884	4.6
165.09157	1.9
173.13263	26.6
179.71933	2.1
191.14313	99.4
209.15384	4.7
289.14230	3.1
457.25555	2.3
475.27115	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	474.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65495	0.7
53.03940	2.2
53.35824	0.6
55.01864	2.4
55.05504	1.4
56.58354	0.6
57.03431	1.8
57.07076	1.6
59.04995	0.9
61.02925	0.8
64.01817	0.6
64.46873	0.6
65.03973	0.8
65.66714	0.6
67.05508	6.0
67.60540	0.6
69.03433	6.2
69.07055	1.9
70.28517	1.3
70.28902	2.3
71.05001	5.0
73.02901	0.8
73.42461	0.7
79.05498	5.1
81.03420	5.9
81.07063	4.7
83.08640	1.1
84.04533	0.7
85.02431	0.9
85.02917	13.8
85.06536	3.0
87.00840	5.7
91.05486	6.2
93.07061	5.9
94.06580	1.0
95.04971	5.9
95.08615	6.5
97.02899	5.1
97.06516	2.9
98.21425	0.9
98.97585	1.2
99.04448	2.9
105.01861	3.7
105.07035	11.6
107.04942	0.8
107.08601	9.0
108.09451	0.8
109.02868	4.3
109.06527	74.5
109.10161	20.1
111.08060	2.0
115.05475	1.0
117.07017	2.7
119.08593	5.2
121.06458	0.9
121.10135	4.7
123.08075	11.3
127.03931	7.1
129.07011	1.9
131.08583	21.6
133.10144	53.0
135.08069	31.5
135.11679	1.3
143.08560	1.8
144.09384	1.2
145.04964	3.2
145.10124	5.8
147.11713	3.6
149.09639	3.9
149.13255	2.2
150.10333	0.7
153.09097	3.3
158.10925	3.4
159.02917	1.8
163.14793	1.1
173.13275	39.7
175.14801	1.3
191.14323	100.0
192.14726	1.5
209.15387	49.5
231.05031	1.5
248.23050	0.7
276.23434	1.1
387.14996	0.6
399.06143	0.7
474.27832	1.3
474.36777	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89722	0.8
51.02384	1.4
53.03955	10.1
55.01877	4.8
55.05268	1.5
55.05518	19.8
55.73432	0.9
57.03445	4.3
65.03947	4.4
67.05512	53.1
69.03430	3.2
69.07076	9.2
70.20565	3.4
71.04993	3.1
77.03941	1.6
79.05502	68.6
81.03426	100.0
81.07063	41.4
83.04986	11.5
83.08628	21.7
85.02914	0.9
85.06545	2.7
87.04418	0.9
91.05489	64.9
93.07055	46.4
95.04975	38.6
95.08620	19.5
97.02901	3.2
97.06551	3.6
97.10190	3.5
98.20789	1.1
99.08095	1.6
103.05504	2.6
105.04517	2.6
105.07043	44.6
107.04969	10.8
107.08608	14.4
109.06538	6.4
109.10183	3.5
111.04484	1.3
111.08116	7.0
115.05489	4.2
117.07021	9.4
119.04977	1.4
119.08591	29.9
121.06547	3.9
121.10151	7.4
123.08074	5.7
125.09634	2.7
127.07593	1.5
128.06247	3.9
129.07024	23.1
131.04877	0.9
131.08574	14.5
133.06497	4.8
133.10146	9.4
135.08054	1.5
135.11740	1.8
137.09659	1.9
141.06998	1.8
142.07817	3.1
143.08578	6.2
145.06485	2.1
145.10146	9.9
147.08070	5.6
147.11702	29.4
149.09631	3.3
155.08557	1.6
157.06465	1.7
157.10144	8.4
159.08035	1.6
159.11674	1.5
161.09650	3.8
161.13254	8.3
163.11163	1.6
165.12756	1.3
167.08586	1.3
171.08072	1.4
171.11691	19.2
175.11215	8.6
185.13306	1.1
189.12755	6.8
193.12262	26.6
207.13820	21.9
211.52759	0.9
225.14908	1.8
229.15909	2.2
249.14850	4.3
271.17184	1.0
281.17462	1.9
301.18201	1.3
363.23209	1.3
381.24387	3.5
399.25403	2.7
424.74734	0.9
455.27933	3.3
473.29041	66.1
474.29608	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2173
Annotation	Bryophyllin A
Peak:m/z	Relative Intensity
55.01884	5.3
57.07095	2.4
67.05514	14.5
67.52014	2.1
67.53909	1.6
69.03458	2.3
69.07062	6.1
69.45522	6.9
69.45946	6.4
71.04997	12.7
79.05494	14.4
81.03422	13.4
81.07062	12.1
83.01353	6.6
83.04988	2.1
83.08627	2.1
85.06536	3.2
91.05495	12.0
91.45289	1.9
93.07055	11.5
95.04958	7.1
95.08618	3.7
97.06543	5.8
103.05457	4.1
105.07011	11.1
106.14531	1.9
107.04964	4.3
107.08591	3.0
109.02872	12.9
109.06550	5.7
113.06017	20.2
117.07020	1.9
118.04156	4.7
119.08606	5.6
121.06516	12.0
123.08060	2.0
125.06016	2.8
129.07008	4.2
131.08562	2.2
132.68237	1.9
133.06508	61.6
133.10187	2.2
134.07329	1.8
135.04451	2.4
135.08073	20.2
137.05962	2.6
142.07840	1.9
143.08620	2.2
147.11684	2.3
149.02367	2.7
149.06023	2.9
151.00232	1.9
151.07562	17.8
153.01878	2.9
161.06000	100.0
164.69206	1.7
169.01363	10.5
171.11707	2.2
175.07478	2.1
177.01843	22.2
177.05511	3.8
181.01352	13.3
186.79588	2.0
189.01814	5.9
189.05484	2.8
189.12718	2.6
191.03520	2.1
191.07057	4.3
193.05003	3.3
195.02907	39.3
199.02408	5.7
203.03528	2.6
203.06958	2.8
205.04985	13.0
207.02866	3.9
207.06564	2.2
217.12308	4.7
219.06516	7.2
223.06046	4.9
229.04935	17.6
231.06584	18.4
233.08116	36.1
235.06021	11.0
237.07573	7.3
247.06021	26.8
249.07610	8.6
251.09175	9.8
253.07082	8.6
261.11234	6.0
265.07080	33.4
275.12805	2.1
283.08218	10.8
285.11191	6.3
287.09131	2.4
303.12299	33.9
311.09106	8.1
312.07977	2.4
315.08780	3.3
321.13358	32.4
329.10007	2.4
339.14615	11.1
363.12204	3.7
365.13751	5.1
367.15430	10.5
381.13474	10.6
391.19449	2.5
399.14438	37.5
419.18478	3.6
432.17343	6.8
433.16840	2.4
437.19589	7.4
450.18536	3.2
455.20767	19.4
473.28964	5.8
493.76849	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	473.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	16.3
55.01867	13.2
55.05508	7.8
56.07924	3.4
56.96566	5.3
57.03424	9.2
61.02911	8.4
67.05489	10.8
68.99783	9.3
69.03435	55.0
69.07074	9.4
70.06577	4.6
71.04984	17.1
71.28747	5.8
72.08154	10.1
73.02908	14.2
79.05492	13.0
81.03429	60.7
81.06624	4.0
81.07058	15.5
83.04981	6.9
85.02914	100.0
86.09720	28.0
87.00829	40.2
91.05473	15.8
93.07036	13.1
95.04954	11.3
95.08604	15.6
97.02899	33.7
97.10200	5.5
98.97581	12.4
99.04467	70.2
103.03929	16.2
103.05496	3.9
105.01863	24.8
105.07054	20.6
107.04958	5.2
107.08589	14.1
109.02887	56.7
109.06527	13.1
109.10178	6.9
115.03839	4.6
116.98611	4.0
117.07036	4.0
119.04893	8.0
119.08601	28.9
121.02946	7.3
121.06545	5.0
121.10152	20.8
123.08072	6.2
127.03934	82.7
127.11194	11.3
129.01805	4.1
131.04909	4.2
131.08578	14.6
133.06448	5.1
133.10091	8.7
135.11694	4.9
137.05969	6.8
137.09634	6.3
137.13290	5.6
141.09131	4.5
145.04973	23.6
145.10114	14.3
147.02858	6.5
147.08128	6.3
147.11693	11.8
149.05962	4.5
149.09633	45.8
151.03793	4.2
151.07571	5.9
159.02910	24.3
159.08038	7.6
161.09660	6.1
161.13289	22.8
163.03889	5.7
163.11162	12.3
165.09172	3.9
165.12729	7.2
167.07014	5.2
171.11656	12.1
177.01883	6.6
177.12669	4.7
179.14423	7.7
183.13757	7.1
187.07584	6.9
189.03925	5.4
189.12788	26.6
195.02850	6.0
197.11707	5.2
203.03456	5.6
207.03055	3.6
207.13838	61.2
212.39569	3.8
225.14839	47.7
231.05032	17.4
270.27859	3.9
284.06897	5.0
295.06015	80.6
309.07690	6.9
311.18323	5.1
321.07568	7.1
323.05655	6.0
325.07108	32.8
335.09186	6.7
337.06927	5.2
341.06476	5.0
341.86566	5.2
349.07062	10.6
353.06726	30.4
377.06735	5.3
391.08096	10.2
409.09149	16.3
427.10110	19.3
437.08514	4.3
441.52377	3.6
455.09406	11.9
473.14575	6.7
473.24124	95.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.2
53.74476	4.5
55.01864	7.5
55.05492	9.6
56.96562	14.5
59.04993	6.2
61.02956	4.8
63.18547	4.4
63.21024	4.5
67.05502	9.4
69.03426	15.0
69.07066	11.6
70.06592	9.5
71.04986	12.3
72.08164	8.2
79.05489	11.4
81.03409	17.9
81.07075	25.1
83.08621	6.1
85.02915	39.3
85.06541	7.2
86.09688	15.3
87.00824	16.5
91.05450	21.6
93.07047	15.9
95.04971	14.2
95.08588	18.9
97.02881	20.7
97.06548	6.8
98.97601	49.6
99.04439	14.9
105.07063	28.9
107.04914	5.1
107.08573	40.6
109.02869	19.3
109.05807	5.9
109.06538	72.1
109.10150	6.5
116.98627	16.4
119.08591	33.6
121.06544	6.6
121.10152	65.6
123.08096	37.7
123.11721	10.4
125.09647	12.3
127.03922	29.3
128.98563	7.0
131.08588	14.8
133.10130	14.2
135.11717	10.9
137.06017	5.1
137.09587	5.8
145.04970	8.8
145.10124	21.2
147.04425	8.0
147.08037	18.4
147.11719	33.6
149.09645	49.5
151.07527	11.0
151.11197	9.0
153.09100	4.8
156.09373	20.2
158.99745	11.9
159.02875	10.1
159.11676	13.1
161.13255	7.1
163.11156	23.3
165.12720	9.3
167.10698	15.4
171.11667	36.0
177.00696	9.3
179.14311	16.1
189.12732	76.7
207.13828	100.0
219.01816	22.0
225.14862	62.2
236.23761	6.3
237.02823	17.1
249.11667	10.5
259.24701	5.7
267.12820	30.4
269.14197	8.7
285.13779	12.8
293.14197	8.9
295.05942	13.7
296.07214	6.0
311.15097	7.1
325.07141	6.8
353.06528	5.1
413.18546	91.6
431.19397	8.7
473.21851	95.0
473.33737	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	473.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.4
55.01828	1.6
57.03392	1.1
57.35498	0.2
61.02871	1.1
61.03152	0.3
65.03897	1.0
65.04196	0.2
66.33549	0.3
67.05479	0.3
68.99749	1.0
69.03374	0.7
70.06602	1.3
70.99560	0.3
71.54733	0.3
72.04475	0.3
73.02863	0.7
74.00618	0.4
79.05450	0.7
81.03418	2.2
81.07017	0.4
83.01289	0.7
83.04944	0.3
84.04450	1.0
84.04908	0.2
85.02912	4.4
86.09656	0.6
89.03886	0.6
91.05424	0.8
91.64287	0.3
92.01649	0.3
93.03413	2.4
94.06524	0.4
95.04924	0.8
97.02837	0.8
98.97539	0.3
103.03869	0.9
103.05457	0.5
105.03327	0.8
105.05750	0.5
105.06965	0.5
106.06510	0.9
107.01295	0.3
107.04903	1.1
109.02884	2.4
111.02645	0.4
111.04455	1.3
115.05401	0.6
117.03329	0.6
117.06952	0.3
119.04923	0.4
121.02803	1.1
121.06459	0.3
123.04370	0.7
124.07584	0.4
125.02936	0.6
126.03707	0.4
126.05477	1.1
127.03901	0.7
127.04983	1.3
128.05254	0.4
130.04936	0.4
131.04857	0.5
133.02779	0.7
133.06406	1.0
134.03639	0.6
135.04416	4.7
136.05190	0.3
136.07535	0.5
137.02354	22.4
137.03395	1.7
138.03729	8.1
139.03859	1.0
141.01759	0.3
141.06592	0.4
143.04839	0.8
144.06572	2.6
145.02785	0.3
145.06075	0.6
147.04359	0.9
149.02315	0.4
149.05968	0.4
151.03822	1.1
151.06310	1.2
152.07111	1.7
153.01794	0.3
155.04834	0.4
156.04779	2.1
157.06421	0.3
159.04343	0.8
161.02354	4.6
161.05885	0.7
163.03938	1.4
163.11115	0.3
164.05247	0.7
165.01768	1.1
165.06915	0.3
166.03200	0.4
168.04214	0.4
171.04364	0.5
173.02322	1.1
173.05954	0.7
175.03889	0.6
176.01012	1.1
177.01860	3.0
177.05441	1.6
179.03404	4.7
181.04871	0.3
183.04401	0.5
184.04286	20.9
185.03812	0.4
185.05945	0.4
187.03931	2.1
189.00243	0.5
189.01840	7.6
189.05385	0.4
189.12688	0.3
190.02585	1.9
191.03307	2.9
191.04831	2.6
193.04903	0.4
194.02043	0.6
195.02892	4.0
197.04407	1.0
199.03792	0.5
201.01799	0.8
201.05496	2.1
203.03389	2.0
204.04184	0.6
205.04961	1.8
207.02910	6.2
207.13812	0.3
210.05836	1.3
211.03886	0.6
211.07405	0.3
213.05412	0.7
215.03452	1.4
217.04939	0.7
219.02974	2.5
219.06371	0.5
220.60112	0.3
221.04401	0.8
225.03839	0.6
227.03413	0.4
227.08514	0.9
229.04988	2.5
231.02657	0.5
231.04602	0.5
233.04491	2.3
238.05299	1.2
239.03369	1.2
241.04755	0.2
242.05676	0.3
243.02913	0.4
245.04437	0.8
247.05878	0.4
251.07141	0.3
252.44997	0.3
255.03008	0.3
255.06459	0.9
257.04382	2.0
259.06000	0.5
261.03799	0.3
267.02872	0.2
267.06458	1.3
268.07397	0.5
270.05203	0.6
279.06421	0.4
281.08029	0.4
282.05298	0.4
283.05994	4.3
284.06796	5.8
285.03897	2.2
285.07440	0.8
292.07288	0.3
293.08319	0.2
293.09375	0.2
295.06024	5.2
296.06763	1.5
297.04361	0.4
297.07391	1.6
298.04614	0.7
299.05466	1.8
300.06177	1.1
303.05063	0.5
305.07996	0.3
307.06122	0.8
308.06674	0.7
309.07492	4.3
310.04736	8.3
310.08142	0.8
311.05545	22.0
311.09103	1.9
312.06247	5.9
313.07080	8.1
320.06812	0.8
321.07669	1.3
322.08469	0.3
322.79401	0.3
323.05508	27.1
324.06268	14.0
325.07065	3.7
325.10587	0.4
329.06583	3.6
333.07715	0.6
334.08466	0.8
335.05460	4.0
335.09274	1.0
336.06253	1.9
337.07083	8.3
338.04388	0.4
338.07849	9.6
339.04916	2.2
339.08661	3.9
341.06570	100.0
342.06891	2.7
344.12711	2.8
345.07516	0.7
347.09271	0.3
349.07080	3.1
350.07822	0.8
351.04929	0.6
351.08661	1.1
352.05685	1.8
352.09586	0.7
353.06561	39.8
353.10065	1.4
354.07068	1.4
355.04312	0.4
355.08121	1.4
361.07007	0.8
362.07947	0.4
363.04871	0.4
363.08698	4.0
365.06638	3.1
366.07257	1.1
367.08145	25.1
368.08325	0.8
369.05887	0.6
371.07587	1.0
373.07300	1.2
376.05893	0.6
377.06464	1.7
379.08130	1.6
381.09802	10.8
383.07623	4.5
384.12204	0.3
389.06619	1.2
390.07535	1.2
391.08167	5.8
392.08569	0.3
393.06006	0.9
395.07635	55.3
396.08130	1.8
401.06619	0.7
407.07623	12.3
408.08252	0.6
409.09137	2.5
413.08490	0.4
417.10013	0.4
419.07651	16.4
425.08691	14.6
426.09219	0.5
437.08716	20.7
438.09045	0.6
455.09772	24.2
456.10135	0.7
473.10825	45.6
473.19778	1.9
474.11096	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.5
56.95794	0.8
56.96549	1.5
61.02903	1.1
65.18695	0.7
67.05486	1.1
69.03416	1.9
69.07022	1.5
70.94807	1.9
79.05474	1.1
81.07066	3.7
85.02872	1.5
91.05412	1.7
93.07021	1.8
95.04936	1.0
95.08590	1.6
97.02850	1.0
98.97533	2.5
105.06954	1.5
107.08576	1.1
109.10096	1.4
116.98576	1.2
119.08576	1.2
121.10091	1.4
123.08026	1.1
129.06955	0.8
133.10123	1.1
145.10051	1.0
157.10068	0.8
158.99596	1.3
163.11050	1.0
165.09106	1.3
246.13686	0.9
267.08899	0.9
275.07019	0.8
324.11176	1.4
333.07965	56.2
335.09540	28.4
443.13998	0.9
471.21619	100.0
472.22040	2.3
485.58588	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.2
56.56504	0.5
56.96577	0.7
57.03415	0.6
61.02901	0.6
67.05492	1.4
69.03429	1.2
69.07059	2.2
70.06596	0.8
71.55779	0.8
74.52709	0.7
77.93483	0.5
79.05486	1.2
79.38528	0.6
81.03413	1.0
81.07066	5.3
83.04950	0.6
83.08615	0.7
85.02903	1.8
85.06546	0.8
86.09682	0.7
86.70518	0.5
87.82097	0.5
91.05475	0.7
95.04977	0.6
95.08604	1.6
97.02850	0.5
107.08566	1.2
108.74615	0.5
109.06577	0.6
109.10169	1.3
111.08083	1.5
112.02177	1.3
121.10155	0.8
124.17423	0.5
138.45567	0.5
145.10188	0.7
148.98044	0.5
161.24329	0.6
168.08409	1.2
185.38773	0.6
250.00552	0.5
275.07361	1.1
278.52274	0.6
285.09998	0.8
289.71423	0.5
303.11246	0.7
309.28116	1.1
335.09494	60.7
336.09808	0.7
443.14899	0.8
471.22009	100.0
472.22314	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	471.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.5
56.95794	0.8
56.96549	1.5
61.02903	1.1
65.18695	0.7
67.05486	1.1
69.03416	1.9
69.07022	1.5
70.94807	1.9
79.05474	1.1
81.07066	3.7
85.02872	1.5
91.05412	1.7
93.07021	1.8
95.04936	1.0
95.08590	1.6
97.02850	1.0
98.97533	2.5
105.06954	1.5
107.08576	1.1
109.10096	1.4
116.98576	1.2
119.08576	1.2
121.10091	1.4
123.08026	1.1
129.06955	0.8
133.10123	1.1
145.10051	1.0
157.10068	0.8
158.99596	1.3
163.11050	1.0
165.09106	1.3
246.13686	0.9
267.08899	0.9
275.07019	0.8
324.11176	1.4
333.07965	56.2
335.09540	28.4
443.13998	0.9
471.21619	100.0
472.22040	2.3
485.58588	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.9
55.05505	5.3
56.96561	2.9
57.03437	2.0
61.02920	3.6
67.05495	9.6
67.57262	1.5
68.76880	1.4
68.99781	2.9
69.03433	3.4
69.07063	10.5
71.05006	6.9
71.55666	2.7
79.05515	11.4
81.03424	2.3
81.07065	11.1
83.04983	3.5
83.08616	1.8
85.02924	2.4
91.05466	6.7
93.07049	13.2
95.04984	7.4
95.08613	9.5
97.02875	2.0
97.06539	10.4
103.03892	1.4
103.05465	3.5
105.07050	11.1
107.04947	4.5
107.08618	9.6
109.06523	6.4
109.10175	3.1
110.46870	1.6
113.06003	5.2
115.05508	1.7
117.07002	5.3
118.04163	4.3
119.04932	4.5
119.08618	7.5
121.06516	11.2
121.10155	7.6
123.04481	1.6
123.08086	1.7
125.02366	1.6
125.06036	1.9
127.07549	2.4
129.07014	2.2
130.97505	1.5
131.08562	4.7
133.06511	36.5
133.10115	4.6
135.04439	2.5
135.08063	10.8
135.11681	2.7
137.05968	6.6
139.82417	1.7
145.06464	2.5
145.10144	5.5
147.08032	3.4
147.11671	3.5
149.05968	3.7
153.05428	5.6
155.07019	3.4
157.10172	2.0
159.11678	5.6
161.06000	100.0
161.13269	2.0
163.07539	4.7
163.14742	1.5
169.01274	4.2
171.11763	1.9
173.13403	3.2
175.14879	2.4
177.05542	3.6
177.16380	3.0
178.99727	1.7
179.07106	2.3
181.01332	2.2
181.08595	2.5
183.06525	2.0
187.11215	4.0
187.14818	4.4
189.05481	2.4
189.16412	4.9
193.08513	1.8
195.06567	3.8
197.00659	1.5
201.16397	4.5
203.07053	6.6
203.18002	4.2
205.05023	3.1
205.12228	12.6
205.15820	2.8
207.06519	5.3
207.13882	1.9
211.05992	1.6
215.10649	2.9
219.17439	2.8
221.08128	3.4
223.05983	3.0
231.06516	6.1
233.04477	2.1
233.11732	12.3
247.05989	4.4
247.08350	1.9
249.07634	18.3
251.12799	15.7
255.10017	1.8
257.11816	3.0
267.08832	2.4
273.11273	2.3
275.12769	4.2
285.07297	2.8
285.10284	1.8
293.13889	3.7
301.10715	18.5
319.11801	15.5
324.11462	1.7
337.12796	3.6
365.13885	4.3
379.26053	2.0
407.33185	3.0
409.20169	1.6
435.17960	4.6
435.32651	3.2
453.18954	4.7
453.33279	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	471.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.9
55.05505	5.3
56.96561	2.9
57.03437	2.0
61.02920	3.6
67.05495	9.6
67.57262	1.5
68.76880	1.4
68.99781	2.9
69.03433	3.4
69.07063	10.5
71.05006	6.9
71.55666	2.7
79.05515	11.4
81.03424	2.3
81.07065	11.1
83.04983	3.5
83.08616	1.8
85.02924	2.4
91.05466	6.7
93.07049	13.2
95.04984	7.4
95.08613	9.5
97.02875	2.0
97.06539	10.4
103.03892	1.4
103.05465	3.5
105.07050	11.1
107.04947	4.5
107.08618	9.6
109.06523	6.4
109.10175	3.1
110.46870	1.6
113.06003	5.2
115.05508	1.7
117.07002	5.3
118.04163	4.3
119.04932	4.5
119.08618	7.5
121.06516	11.2
121.10155	7.6
123.04481	1.6
123.08086	1.7
125.02366	1.6
125.06036	1.9
127.07549	2.4
129.07014	2.2
130.97505	1.5
131.08562	4.7
133.06511	36.5
133.10115	4.6
135.04439	2.5
135.08063	10.8
135.11681	2.7
137.05968	6.6
139.82417	1.7
145.06464	2.5
145.10144	5.5
147.08032	3.4
147.11671	3.5
149.05968	3.7
153.05428	5.6
155.07019	3.4
157.10172	2.0
159.11678	5.6
161.06000	100.0
161.13269	2.0
163.07539	4.7
163.14742	1.5
169.01274	4.2
171.11763	1.9
173.13403	3.2
175.14879	2.4
177.05542	3.6
177.16380	3.0
178.99727	1.7
179.07106	2.3
181.01332	2.2
181.08595	2.5
183.06525	2.0
187.11215	4.0
187.14818	4.4
189.05481	2.4
189.16412	4.9
193.08513	1.8
195.06567	3.8
197.00659	1.5
201.16397	4.5
203.07053	6.6
203.18002	4.2
205.05023	3.1
205.12228	12.6
205.15820	2.8
207.06519	5.3
207.13882	1.9
211.05992	1.6
215.10649	2.9
219.17439	2.8
221.08128	3.4
223.05983	3.0
231.06516	6.1
233.04477	2.1
233.11732	12.3
247.05989	4.4
247.08350	1.9
249.07634	18.3
251.12799	15.7
255.10017	1.8
257.11816	3.0
267.08832	2.4
273.11273	2.3
275.12769	4.2
285.07297	2.8
285.10284	1.8
293.13889	3.7
301.10715	18.5
319.11801	15.5
324.11462	1.7
337.12796	3.6
365.13885	4.3
379.26053	2.0
407.33185	3.0
409.20169	1.6
435.17960	4.6
435.32651	3.2
453.18954	4.7
453.33279	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	471.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01861	3.8
55.05509	3.7
67.05507	10.6
68.99812	3.7
69.03430	8.1
69.07051	3.6
69.49233	6.2
69.49641	3.7
71.04997	21.0
79.05499	16.9
81.03394	2.6
81.07062	14.2
83.04949	1.9
83.08621	2.0
85.02935	3.5
85.06532	1.9
91.05482	8.9
91.14418	1.5
92.13361	1.3
93.07045	7.9
95.04983	9.1
95.08593	4.1
97.02910	2.5
97.06538	11.6
98.20754	3.0
103.05453	5.1
105.07035	7.6
107.04963	9.7
107.08596	4.5
109.02899	2.0
109.06527	17.4
109.10148	3.5
112.07602	2.7
113.05986	11.4
115.05466	2.4
117.06994	3.6
118.04138	3.9
119.04909	5.9
119.08566	3.4
121.06489	9.5
121.10154	1.8
123.04451	9.1
125.05961	2.7
127.03916	2.2
129.06953	2.4
131.04906	1.6
131.08527	2.6
133.06508	28.9
133.10121	2.3
135.04399	11.7
135.08072	9.3
137.05965	9.2
137.09636	1.8
143.08557	2.3
145.06462	3.0
145.10162	3.3
147.04405	4.0
149.05969	4.0
151.07523	1.8
153.05438	3.6
157.06429	2.2
159.07961	1.7
159.11652	2.6
161.05992	100.0
163.11137	2.8
165.05542	2.2
165.09096	1.8
169.01413	2.6
173.09618	2.3
175.07538	2.7
177.05464	4.0
177.12662	2.0
179.07002	2.1
187.11186	10.7
189.01833	2.1
189.05513	12.2
191.03419	1.7
191.06955	1.7
193.04942	2.2
195.06523	8.0
203.07031	3.3
205.04927	4.3
205.08606	3.1
205.12299	10.0
207.06433	2.7
213.05513	2.2
213.08095	1.3
215.10667	5.0
217.04965	4.9
221.08080	3.2
223.06010	2.3
223.13297	11.1
229.05019	2.1
231.06522	23.6
231.10162	2.3
233.04472	4.3
233.11850	3.2
235.05930	8.7
249.07614	11.7
251.05554	2.7
255.10240	3.2
257.11758	2.0
259.09668	20.8
267.08749	2.7
273.11203	5.5
277.11035	2.1
283.09695	5.9
291.12506	2.1
301.10733	31.7
309.11115	2.1
319.11771	46.8
337.12811	27.3
355.14014	14.0
365.13937	2.2
435.18112	1.9
453.18967	8.6
471.20239	31.5
471.26398	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
54.31527	2.5
55.01880	4.8
55.05508	5.1
57.07051	2.7
57.85035	2.6
65.03938	3.3
67.05519	23.5
68.99783	5.5
69.03427	18.0
69.07065	8.7
70.06574	3.4
71.04996	45.2
79.05505	19.6
81.03442	3.0
81.07056	28.1
83.08612	4.9
85.02901	6.4
85.06529	4.7
85.20372	2.5
91.05473	13.2
93.07055	14.7
95.04982	23.3
95.08607	6.8
97.02874	4.4
97.06538	20.4
98.97591	5.4
105.07014	15.0
107.04949	14.2
107.08594	10.7
109.02876	2.7
109.06505	27.1
109.10152	6.2
113.06001	22.2
114.12239	3.5
115.05355	2.8
117.07019	7.9
118.04173	3.5
118.15083	2.6
119.04967	16.7
119.08588	8.2
121.06522	17.3
121.10143	6.1
123.04439	12.9
125.05996	4.7
126.26853	2.5
131.04951	5.6
131.08551	3.5
133.06494	31.2
133.10121	5.7
135.04451	16.7
135.08051	14.4
135.11665	4.2
137.02530	2.5
137.06009	15.4
140.75031	2.5
145.10117	9.2
147.04404	6.0
147.11688	2.9
149.02303	3.5
149.06015	9.3
149.09650	3.7
153.05447	4.6
153.09128	3.0
157.10184	3.3
159.11717	6.7
159.57910	3.1
161.05997	87.2
161.09621	3.7
163.07520	4.5
163.11168	6.0
165.05486	4.6
169.10109	3.1
173.09653	4.7
175.07492	3.3
177.05414	4.2
179.03360	3.8
187.03899	3.4
187.11206	21.6
189.01810	3.5
189.05469	27.9
195.06551	12.1
196.32776	3.1
203.07028	9.6
205.04987	8.4
205.12254	30.3
207.06668	3.8
209.04532	5.3
213.05453	4.8
213.09148	3.4
215.10638	9.1
217.04996	9.8
221.08104	3.8
223.06107	4.0
223.13324	18.2
229.04991	5.6
229.07176	3.5
231.06555	43.7
233.04425	6.5
233.11662	4.7
235.05995	13.0
241.08592	5.7
245.11765	3.8
247.05894	3.0
249.07652	19.5
255.10135	4.0
259.09665	39.4
267.08817	3.5
273.11188	10.3
277.10651	3.4
283.09671	7.7
291.12164	3.7
295.11438	3.8
301.10693	68.2
319.11786	100.0
320.11920	3.4
337.12811	48.8
355.13959	59.9
428.90198	3.0
471.20193	81.6
471.25946	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	471.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	0.7
59.44147	0.7
60.61718	0.5
70.06583	2.5
70.30378	1.3
70.30764	1.2
72.33047	0.5
81.35206	0.5
84.08158	0.7
85.02916	0.6
85.15588	0.5
86.09709	1.5
86.49457	0.5
91.05488	1.0
95.01110	0.8
97.30865	0.5
98.20789	0.6
98.97585	0.7
113.02079	1.0
133.02831	0.6
140.01503	0.6
147.04405	0.6
161.02968	1.2
168.06615	0.6
185.04237	1.5
189.05228	5.1
201.03636	0.8
210.02977	1.4
210.60149	0.6
219.06323	0.9
233.10104	0.8
234.08653	5.5
259.07791	0.6
259.14835	0.5
263.08994	0.9
278.58438	0.5
291.14490	1.2
309.12930	0.7
333.87241	0.6
367.13797	1.6
377.12030	0.6
381.11496	3.3
395.13214	2.2
396.13916	7.4
397.14206	0.5
402.75336	0.7
441.17328	1.0
468.00153	0.6
471.18387	100.0
472.18793	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	471.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.6
55.74026	4.2
56.96577	4.1
61.02904	5.1
65.31194	3.6
67.05505	20.7
68.99786	6.9
69.03426	8.7
69.07072	8.4
71.04993	22.4
79.05495	28.9
81.03434	7.9
81.07056	27.4
85.02901	13.0
91.05478	13.7
93.07046	12.8
95.04953	15.2
95.08633	7.3
97.02882	5.7
97.06551	5.6
97.10202	4.5
98.97626	5.3
103.05507	5.8
105.07021	14.5
107.04957	38.4
107.08595	9.2
109.02876	7.4
109.06527	19.9
109.10179	7.0
113.06007	15.7
118.64885	4.5
119.04971	10.8
119.08550	4.7
121.06494	16.1
123.11724	4.7
130.45573	3.9
133.06503	52.3
133.10104	6.5
135.04440	21.7
135.08072	11.6
135.11736	5.3
137.05966	6.3
137.09676	4.0
145.06509	5.1
145.10147	5.6
147.04379	8.2
149.06015	8.8
151.07562	4.5
153.05450	9.5
161.05997	100.0
163.11229	4.0
165.05476	7.3
177.05586	4.0
187.11218	7.0
189.05460	18.0
205.04959	11.3
207.06454	4.8
217.04909	10.0
229.05087	18.4
231.06511	31.2
233.04494	13.2
235.06076	18.0
243.06500	4.4
247.06055	8.6
249.07657	21.8
251.05511	12.2
255.10287	6.0
259.09705	60.4
273.11179	5.0
283.09607	19.8
301.10696	45.3
319.11725	28.7
324.11710	4.9
337.12939	24.4
453.19067	57.3
454.91745	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	471.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.4
55.05505	4.2
57.03415	1.5
57.07075	2.7
61.02911	1.5
62.86080	1.4
67.05515	8.7
68.99773	1.8
69.03428	2.8
69.07059	4.5
70.40383	5.8
71.04977	2.3
79.05489	7.3
81.07063	8.4
81.34737	1.5
83.04986	2.2
83.08597	2.8
85.02899	3.7
91.05479	5.6
93.07062	7.1
95.04975	4.0
95.08608	6.6
96.25033	1.4
97.02876	2.4
97.06517	2.5
97.10150	2.6
98.97595	1.8
103.05480	2.8
104.64141	1.4
105.07016	6.3
107.04949	4.0
107.08595	5.6
109.06490	1.9
109.10143	4.8
111.08023	1.7
114.12096	1.2
117.06937	1.5
118.04118	2.4
119.04967	1.5
119.08576	6.5
121.06508	16.0
121.10139	4.7
123.08100	3.8
131.04910	3.0
131.08577	3.5
133.06503	29.0
133.10149	1.6
134.07265	2.5
135.04565	1.3
135.08040	13.3
135.11697	4.2
137.09663	1.5
143.08528	1.9
143.71902	1.5
144.90610	1.5
145.06497	2.3
145.10088	2.1
147.04416	3.5
147.08055	4.6
147.11736	2.4
149.09570	2.2
149.13249	2.3
151.07564	3.4
157.06465	1.8
157.10173	1.8
159.11728	1.9
161.05988	100.0
161.13240	2.6
163.07617	1.5
163.11185	3.8
165.09122	23.8
169.01408	2.4
171.08043	1.7
171.11722	1.7
175.07594	5.2
177.05519	1.6
177.09135	3.5
177.12737	2.0
179.07040	1.7
187.07458	1.8
189.12752	4.0
191.14256	1.8
193.08611	3.1
203.07065	4.4
205.04897	2.0
207.02916	2.4
207.13821	4.4
209.04442	2.3
215.07033	2.5
217.12280	7.2
229.05174	1.7
233.11790	1.5
235.13278	6.3
243.06523	4.8
247.06099	2.4
249.07692	2.5
260.06940	1.8
261.07584	2.9
265.07016	1.4
279.08694	6.6
285.11191	13.0
301.10373	1.6
303.12195	9.4
319.11786	3.8
321.13290	2.7
337.13184	2.0
391.19205	2.5
395.15027	2.9
419.18558	17.4
435.18234	2.3
437.19650	23.1
471.27502	3.9
482.38153	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
56.96568	1.9
68.05032	1.0
69.03423	1.6
69.57002	0.7
70.06589	1.1
71.04972	1.1
71.54480	1.6
77.00919	0.9
78.95632	1.3
81.03418	2.9
81.28118	0.8
82.99845	1.0
85.02894	1.6
86.06062	5.8
89.03905	1.6
94.93015	7.2
98.97594	3.6
99.04469	1.9
101.00886	10.1
102.01031	1.0
104.57139	0.7
109.02877	3.3
110.94669	0.8
112.89622	1.3
113.00911	1.7
114.05526	1.6
114.89345	0.8
115.02438	2.7
116.98660	1.4
117.03387	1.3
119.01933	27.7
120.02038	1.4
124.52095	0.8
127.02420	0.9
128.13849	0.9
131.01923	3.6
132.06584	1.4
133.03464	4.6
134.94542	1.3
135.04424	1.4
136.94016	2.0
137.02942	5.0
139.02420	2.9
141.00372	0.8
142.03513	0.8
143.01909	10.7
145.03549	5.7
147.04422	1.2
150.91980	14.4
151.04500	1.0
155.01917	1.2
156.02589	1.4
157.03487	20.7
158.03014	2.3
159.01407	3.9
159.03171	3.0
159.05063	0.9
160.02271	1.3
161.01822	0.8
161.02980	21.3
162.03056	1.3
163.03906	6.4
164.04276	1.3
167.01906	3.6
169.03448	2.1
171.05008	3.1
173.02998	2.2
174.03169	1.2
175.04530	13.6
176.04036	1.5
177.02579	0.9
177.04184	1.8
179.03970	1.1
181.03438	1.0
183.05022	3.0
184.02162	1.1
184.93864	1.5
185.02979	14.3
186.03166	3.1
187.02904	1.3
187.04549	5.2
188.04062	1.6
189.04240	2.3
189.06079	1.9
190.03827	0.8
197.02979	2.4
198.03275	1.4
199.04530	4.6
201.00684	0.9
201.06027	4.2
203.04018	8.7
209.03015	1.1
217.05576	4.1
221.05093	1.3
224.95581	1.0
227.04037	2.2
228.92751	3.7
235.06650	1.2
237.00761	1.7
240.98776	1.2
245.05083	13.7
245.11430	2.8
246.05264	7.3
247.04980	2.2
250.93553	1.9
252.97086	0.8
253.07652	1.0
255.01918	2.5
256.96182	2.3
259.06635	3.4
261.02838	1.3
263.06161	1.3
264.06262	0.8
268.94592	3.6
272.91849	1.0
273.02850	3.0
276.06326	1.1
277.07709	89.8
278.07916	3.1
290.92844	2.7
295.08774	100.0
296.09003	1.9
306.07294	1.1
308.92688	1.1
309.10428	1.2
318.10425	3.9
320.95575	1.1
321.10275	3.1
323.11993	0.8
338.96732	2.8
411.13226	2.2
429.14594	1.7
452.95828	5.3
470.96747	1.6
471.13910	3.4
471.21179	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	470.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.4
55.05505	7.1
55.09944	3.4
56.52020	3.6
56.96556	8.8
57.42646	3.9
67.05468	4.5
69.03420	8.8
69.07088	8.9
69.59541	27.4
70.06602	8.4
73.37698	3.9
81.03431	4.9
81.07049	5.4
81.60898	3.2
83.04993	33.3
85.02893	13.9
86.59327	3.8
91.05497	5.3
92.99675	3.8
95.08614	5.3
97.02896	12.0
98.97582	14.7
99.04423	6.3
105.07018	3.9
107.08611	4.7
109.02877	12.2
111.11742	6.5
116.98609	5.2
119.08578	4.8
123.40014	4.0
126.71507	4.6
127.03894	11.3
135.08067	44.7
145.06444	4.6
149.09644	4.6
156.09273	8.0
157.10135	8.0
158.07263	3.8
159.07928	7.0
159.11670	7.6
166.60275	4.5
171.08147	6.3
171.11734	10.7
172.08786	7.3
173.09703	6.3
181.10046	4.5
183.11694	5.1
184.08798	7.0
185.07707	4.4
185.09593	6.3
187.11145	13.5
199.06387	5.4
199.11217	39.7
203.10640	24.2
209.09616	7.4
212.08345	10.5
215.10721	90.1
216.11089	5.4
217.12189	6.1
219.01825	6.5
227.10689	42.1
233.11707	51.2
237.02710	7.0
243.05365	5.1
245.11755	100.0
249.04382	5.2
263.12872	32.2
267.05499	10.5
285.06433	15.0
369.08746	11.1
371.14926	48.2
375.16556	4.0
389.15933	24.2
411.09592	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	470.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06453	1.2
52.82567	1.4
55.05500	1.7
57.03432	6.2
57.07067	1.3
59.04986	1.7
67.05498	1.4
69.03429	19.8
69.07075	2.5
71.08638	41.7
71.55522	2.5
73.02913	2.5
74.67486	1.2
77.09615	1.5
79.05505	2.1
81.03407	1.6
81.07059	2.2
84.08117	1.5
85.02910	18.6
87.04489	10.1
91.05513	1.7
93.07031	1.5
94.54744	1.4
97.02899	17.6
98.97590	1.8
99.08103	100.0
115.03938	17.3
115.11245	2.4
115.22431	1.6
123.11724	1.6
127.03944	1.6
133.04984	18.0
140.07083	1.6
141.07010	3.3
141.12740	3.1
145.05002	1.7
145.10143	1.8
146.10512	1.6
150.45119	1.3
159.13821	78.3
165.76389	1.5
255.11316	1.6
304.76526	1.7
309.13736	2.9
385.17654	1.6
427.19629	2.0
471.18274	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	470.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01865	1.8
55.05519	8.2
56.96553	1.3
57.03449	4.9
61.02927	6.6
67.05499	2.1
69.03434	16.0
69.07075	55.9
70.06589	5.5
71.04978	3.0
71.12183	1.8
73.02914	3.0
79.05459	1.4
81.03423	6.6
81.07050	3.5
83.04974	0.9
84.08113	1.3
85.02911	100.0
87.04456	2.6
91.03986	4.7
91.05470	1.6
93.07040	2.4
95.05025	1.1
95.08607	2.5
97.02901	23.2
97.06545	1.0
98.91788	0.8
98.97553	1.1
99.04441	3.8
99.08082	2.1
100.07590	1.8
103.03955	1.8
105.07069	1.0
107.08605	1.5
109.02884	7.9
109.06502	1.3
111.11733	27.1
115.03918	3.1
121.10123	1.6
123.08098	0.9
124.03979	1.1
127.03931	22.2
133.10054	1.3
135.11734	1.2
138.16129	0.8
139.07555	1.0
145.04967	43.4
163.06032	21.2
165.04288	0.9
191.14426	1.0
195.13828	1.2
237.14905	1.6
255.11247	2.1
255.15820	1.1
325.11298	1.0
329.14990	1.3
371.20728	1.9
428.16550	1.4
452.17459	1.6
471.18958	1.1
471.25946	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33530	1.2
54.03468	3.3
55.01867	5.8
55.05504	3.3
57.07084	18.2
59.05010	7.0
63.78993	1.2
67.05508	7.6
69.03430	12.3
69.07085	8.1
71.08640	13.7
71.55991	1.6
72.04525	28.1
73.02924	1.7
76.11835	1.3
81.07063	8.3
83.08623	6.6
84.04538	1.7
85.10188	9.1
86.06068	26.5
87.04485	16.1
89.06029	3.1
90.46162	1.4
95.08611	13.8
97.10166	5.7
98.06033	4.3
99.11678	1.8
104.07116	20.0
109.10194	7.6
111.11739	2.3
111.90759	1.3
113.24294	1.3
114.46748	1.4
123.11719	4.4
128.07088	39.0
133.08598	2.8
137.13306	1.6
140.07083	45.6
157.09737	20.3
158.08133	17.6
175.10793	39.7
283.17563	2.8
284.17920	1.4
295.30008	5.7
312.32611	10.7
324.32745	4.9
366.33722	100.0
367.34006	1.9
451.39020	18.1
469.39951	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	469.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.3
55.01861	10.3
55.05517	21.3
56.96553	6.1
57.03433	9.3
57.07072	4.6
59.05012	3.0
61.02918	9.0
65.03941	3.0
65.22919	2.3
65.82674	2.7
67.05511	33.2
67.33847	2.2
68.99789	8.2
69.03439	37.7
69.06773	2.5
69.07079	26.7
69.31042	22.6
71.01350	3.2
71.05003	22.2
72.08199	2.3
72.44951	2.3
73.02917	8.7
79.05497	30.9
81.02983	4.2
81.03426	32.2
81.06583	5.2
81.07066	100.0
82.07387	5.9
83.04986	7.8
83.08617	12.5
85.02438	3.1
85.02916	48.1
85.06541	5.3
87.00847	26.5
87.04462	4.2
91.05479	33.5
93.06496	2.6
93.07065	49.4
95.04971	21.0
95.08622	78.5
97.02909	24.4
97.06538	6.2
97.10172	9.8
98.21602	3.4
98.97597	7.4
99.04454	10.8
99.08096	6.8
103.03937	5.5
105.01856	9.3
105.07040	54.7
106.80472	2.2
107.04986	5.1
107.08607	56.6
109.02918	15.0
109.06544	11.8
109.10164	54.8
111.04446	10.3
111.08063	4.9
115.03934	13.7
116.98664	3.5
117.07002	9.3
119.08593	54.4
121.06546	12.0
121.10158	46.3
123.04436	10.6
123.08057	11.2
123.11739	26.4
125.09637	5.5
127.03921	18.8
127.11227	18.1
128.06213	4.3
129.01833	8.4
129.07005	9.4
131.08571	20.4
133.06511	3.4
133.10147	40.3
135.04465	4.3
135.08051	5.7
135.11725	31.5
137.06010	7.7
137.09624	7.1
137.13232	11.4
139.07536	4.0
141.05495	2.5
141.06972	4.5
142.07750	7.4
143.08572	16.5
144.09319	4.7
145.04938	3.1
145.06491	3.8
145.10146	38.9
147.08063	8.7
147.11700	35.2
149.09619	7.6
149.13264	19.1
151.07620	3.3
151.11160	5.9
153.12704	6.5
155.08554	8.0
156.09381	3.5
157.10126	21.8
159.02931	4.5
159.08069	5.3
159.11720	40.4
161.05907	4.5
161.09651	8.1
161.13269	18.0
163.11221	6.9
163.14780	4.3
165.06978	2.8
165.09062	4.1
165.12733	2.8
169.10109	9.4
170.99583	5.1
171.08086	2.7
171.11694	15.5
171.61931	2.4
173.09555	4.0
173.13266	15.5
175.07498	3.1
175.11159	9.6
175.14833	11.2
177.12755	6.2
177.16365	5.6
181.10129	4.7
183.11728	9.8
185.09563	4.4
185.13275	7.8
187.11171	3.8
187.14775	12.4
189.03923	9.3
189.09198	3.9
189.12749	7.8
189.16411	13.8
191.10686	2.9
191.14337	6.3
191.17906	4.9
193.10165	3.0
193.15839	3.3
193.19562	2.9
195.11746	5.9
197.13257	6.8
199.11234	5.3
199.14868	6.9
201.03918	6.2
201.12799	7.0
201.16330	13.5
203.10809	3.2
203.14409	3.6
203.17978	14.9
205.15898	3.0
205.19502	4.0
207.11748	4.9
207.17323	3.4
213.12787	4.5
213.16412	4.6
215.14404	3.8
215.17981	5.5
217.15970	3.8
219.04916	5.5
219.17480	10.2
221.19012	8.2
225.12721	10.0
227.14288	3.1
227.18005	4.2
231.17465	4.1
233.18994	8.7
241.15874	5.2
243.13792	3.9
243.17471	4.1
245.19003	9.6
257.18979	4.3
261.18442	4.2
263.19995	4.1
269.15643	3.1
269.18863	3.8
283.20358	5.0
287.20023	4.1
293.18915	6.0
311.20114	16.4
329.21078	8.9
347.22263	4.2
365.15771	3.9
365.23300	3.4
376.15741	2.7
415.20950	5.5
433.22217	5.7
445.23178	2.6
451.23526	14.0
469.24643	22.2
469.32919	10.5
487.18323	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	469.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01861	2.3
55.05499	1.1
57.07065	2.2
57.78576	0.6
67.05516	2.8
68.99789	3.2
69.03406	0.5
69.07078	9.4
70.60841	0.5
70.94499	1.2
73.06557	1.4
79.05491	5.7
81.03393	0.7
81.07064	7.3
81.92156	0.6
83.01333	2.3
83.04974	0.8
83.08583	0.5
85.10193	1.1
91.05482	3.7
93.07048	8.4
95.04967	1.7
95.08047	1.0
95.08602	10.3
103.05476	2.5
105.07048	7.5
107.04953	4.3
107.08591	2.3
109.06512	3.2
109.10162	2.0
111.08150	0.8
117.07026	1.3
117.77005	0.6
118.04179	3.0
119.04987	1.5
119.08591	2.4
120.05723	0.7
121.06506	16.0
121.10159	1.3
123.08076	5.7
123.11696	0.7
131.08560	1.5
133.06500	31.6
133.10133	1.4
135.04427	0.7
135.08060	14.2
137.02309	0.8
137.05971	1.3
143.04846	0.9
145.06502	1.2
147.04396	1.2
147.08057	1.5
149.05998	9.4
149.13281	0.6
151.00294	2.6
151.07500	1.1
151.14839	1.1
159.02979	0.8
159.04480	1.0
159.08099	0.8
159.11708	0.6
161.05994	100.0
161.13268	2.7
162.06372	1.1
165.01840	1.6
165.05478	1.5
165.09132	1.0
167.03600	0.5
167.07040	0.9
169.01323	11.1
169.08563	1.0
170.99240	1.2
171.04396	3.7
173.05997	1.2
173.13261	0.6
175.07561	1.6
175.11234	0.6
177.05522	1.6
177.12857	0.8
179.07062	3.1
179.14310	1.4
181.01315	0.8
183.02957	2.2
187.03938	0.7
187.07544	0.8
189.05490	4.9
189.12801	1.5
191.07059	2.4
193.01338	1.1
193.04976	0.6
193.08621	0.8
195.06506	0.7
201.05579	2.0
203.01913	0.8
203.07053	9.1
204.61130	0.6
205.04985	5.3
205.08463	0.9
207.06548	6.5
209.08214	0.7
215.07045	0.8
217.04994	8.4
217.12276	1.3
219.02766	0.6
219.06525	6.1
223.06064	2.6
225.07588	1.4
233.04529	3.8
233.08134	1.8
235.06013	26.0
235.13347	1.7
236.06433	0.7
237.07507	3.3
239.09094	1.6
239.16461	0.7
247.06064	4.2
247.13310	0.8
249.07547	4.7
249.14902	3.3
251.09203	1.3
253.06969	0.8
257.11765	2.3
261.07397	1.3
265.07147	1.5
267.08652	7.3
275.12741	2.6
277.14316	1.0
279.08694	1.1
283.08212	2.2
285.07346	6.0
285.09677	0.9
287.05545	0.8
291.16028	2.7
293.13852	1.7
297.09677	3.2
303.12436	3.2
307.15430	1.4
317.13849	0.6
321.13406	0.7
323.12625	0.8
335.14883	2.6
335.21817	0.7
339.12262	1.3
341.13849	8.5
341.17603	1.0
351.12332	6.6
353.16202	5.1
383.14896	2.5
391.19589	0.8
399.14160	1.0
409.20111	1.5
419.18423	1.3
451.21048	1.6
469.22430	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	469.2226
Annotation	2,3-Dihydronimbolide
Peak:m/z	Relative Intensity
53.03933	0.6
55.01880	5.9
66.04702	0.7
67.05483	1.0
68.99798	0.7
69.07072	6.7
69.50452	4.4
79.05498	4.8
81.07046	2.6
83.01295	0.7
90.04671	0.8
91.05471	1.7
93.07045	1.4
95.04980	1.0
95.23261	0.6
98.20696	0.6
103.05505	3.6
105.07027	4.8
107.08600	0.9
109.06505	1.7
115.05486	0.8
117.07085	0.8
118.04173	4.5
119.04967	0.9
119.08572	0.7
121.06514	7.7
129.07011	0.7
133.06503	35.6
135.04411	1.5
135.08040	2.1
137.05991	4.0
137.76634	0.6
145.06493	1.6
147.04488	0.8
149.05995	1.0
149.09645	0.9
152.06224	0.8
155.07014	1.3
161.05992	100.0
162.06310	1.3
163.07654	0.6
169.01334	1.3
169.06554	0.9
171.08076	3.3
173.05995	1.1
173.09676	0.8
175.07643	1.1
175.11252	0.7
179.07095	0.8
183.08076	2.2
184.05196	1.3
185.05936	3.3
187.07643	1.0
189.05478	0.8
191.07079	0.9
195.08076	1.1
197.06090	0.9
199.07576	1.6
201.05472	1.7
201.09183	0.7
203.07111	1.2
205.08667	0.9
207.06578	1.8
208.05194	1.0
211.07576	4.7
213.05489	8.0
215.07101	1.3
217.04999	2.2
219.06535	1.1
221.08121	2.1
223.07642	2.8
224.04642	2.0
225.05409	0.8
227.07082	1.5
229.12256	0.9
235.05972	2.3
235.09589	1.1
239.07043	6.1
241.04971	1.1
243.06596	4.4
251.06931	1.0
265.08704	0.6
267.06482	22.2
285.07596	7.1
293.08221	0.7
295.06061	7.4
299.09128	0.9
305.11694	1.2
309.11282	0.8
315.15723	0.6
319.35806	0.6
323.12799	2.6
327.08701	8.7
335.12668	1.2
341.13922	0.8
345.09720	1.4
351.12323	9.0
353.13892	1.5
363.12329	0.9
369.13306	1.0
383.14859	2.9
391.19217	1.0
401.16003	6.0
409.20029	1.4
413.16138	0.9
419.18719	1.7
423.21860	5.1
469.22369	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.6
54.53874	0.5
55.01857	1.9
55.05504	2.5
56.96580	2.8
57.03436	1.4
59.05004	1.1
61.02909	0.7
65.23385	0.5
69.03442	9.9
70.08952	2.3
71.04721	0.4
71.05004	5.1
71.14333	0.5
73.02911	1.2
79.05477	0.8
81.03424	25.1
81.07066	4.2
83.04979	4.9
83.08620	1.0
85.02898	2.5
86.09719	0.6
87.04465	0.6
91.05485	0.8
95.08630	0.7
97.02928	0.6
98.09737	2.6
98.97604	2.6
99.04467	10.8
99.08073	0.7
100.07630	1.7
100.11246	4.8
103.03917	1.5
105.07059	0.8
107.04964	1.5
109.02888	10.3
111.04443	2.3
116.10715	2.0
116.98616	0.6
117.05511	1.9
118.06522	3.4
119.04974	0.6
120.08085	0.7
121.02878	1.2
127.03913	2.2
128.07097	1.8
140.07097	0.6
145.07631	4.6
147.08083	0.6
147.09169	9.4
162.07899	0.8
163.08646	1.5
173.07127	9.5
175.08699	9.9
177.05421	0.7
182.15388	4.1
191.08170	100.0
192.08511	1.5
198.14902	4.5
199.08606	1.0
203.03471	1.3
203.08138	0.9
203.93982	0.7
204.09029	1.0
205.09727	0.6
207.03035	0.7
209.16489	0.7
210.14882	4.6
226.14383	3.1
227.17563	0.7
231.11353	1.4
233.08188	0.6
239.09625	0.6
243.10974	0.7
244.20264	1.5
245.08305	0.8
263.09372	2.8
265.07489	1.4
271.10861	2.4
281.10684	1.0
289.11823	9.3
290.12085	0.6
295.06021	1.0
305.10574	1.0
307.12888	34.1
308.06647	0.7
308.13217	0.7
309.07605	0.8
321.07581	3.1
322.08240	0.9
325.13943	30.3
326.14359	1.1
331.12949	6.7
335.09158	0.9
337.07001	1.2
337.21124	2.6
349.06668	1.4
349.13867	6.7
351.08365	0.7
354.23950	3.1
371.15903	1.9
379.08118	1.4
389.17090	4.2
393.39938	0.6
397.14063	5.3
405.09619	0.7
415.14938	10.0
433.09528	2.3
433.16104	8.9
451.10269	2.3
451.17093	8.3
451.32947	1.6
452.31140	2.4
469.11301	2.9
469.20285	1.7
469.33780	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	469.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33674	0.6
55.01866	1.2
55.05517	0.7
56.96556	0.9
61.02920	0.7
67.05519	1.1
69.03439	3.2
70.06595	1.1
71.05001	1.1
71.55464	1.1
73.02943	0.7
74.09283	0.6
79.05496	1.4
81.03414	1.2
81.07064	0.6
83.04955	0.7
84.73990	0.6
84.88980	0.6
85.02896	3.0
86.09710	0.7
91.05489	1.4
93.07040	0.9
97.02924	1.2
97.06550	1.0
98.06068	1.0
98.97582	2.2
99.04351	0.6
105.07029	0.9
107.08586	1.9
109.10162	0.7
110.06011	0.7
119.08568	1.0
122.06023	1.7
123.04478	1.5
124.07578	0.9
127.03933	1.0
135.08046	1.9
136.07588	1.1
137.09639	0.8
139.03870	1.4
140.07066	0.6
145.02911	0.6
147.04388	0.8
151.03911	0.7
158.99733	0.6
159.11772	0.7
160.07576	0.8
163.03874	1.2
163.08662	0.9
168.06563	1.8
174.09152	1.9
175.08806	0.7
177.10268	1.3
178.08661	14.4
185.08292	0.8
188.07106	2.0
198.09190	1.1
201.10307	1.3
202.08672	3.2
205.09758	2.8
206.08165	3.3
216.10336	1.5
219.01828	0.9
219.07877	0.8
219.11310	3.9
220.09705	0.9
226.08777	0.8
229.09708	2.7
230.08217	2.1
243.11317	1.4
244.09727	2.5
247.10822	12.2
248.17676	0.7
261.12387	0.9
262.10620	1.2
265.11871	11.6
271.10953	2.0
271.14154	0.7
272.09201	1.7
289.11856	11.9
289.14996	1.2
296.12070	2.0
307.12921	100.0
308.13290	1.9
338.12207	0.8
339.12524	1.0
409.16391	1.0
451.17056	7.3
469.10587	0.9
469.17770	6.3
486.86636	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02073	0.5
61.02917	0.9
69.03437	1.1
69.56213	3.6
70.06535	0.5
73.02888	0.7
82.23548	0.5
85.02895	1.1
91.05481	0.9
98.20750	1.0
98.97591	0.9
107.04944	1.0
115.05463	0.5
119.04948	1.1
121.02876	4.6
130.34846	0.5
152.06194	0.8
161.06032	0.7
163.03931	0.7
167.08595	2.3
173.05980	0.9
174.06740	0.7
175.03798	1.6
175.07516	0.6
185.04306	0.7
185.05885	0.6
189.01831	0.7
189.05432	1.3
189.09193	0.7
190.02579	1.0
195.08060	2.1
198.06743	0.9
203.03387	6.6
203.07028	0.6
213.09137	4.2
215.10625	0.6
221.04413	1.2
229.04910	0.8
231.10191	1.8
241.05104	0.6
241.08636	1.1
250.08287	0.7
259.09644	4.0
279.06598	1.3
293.08109	1.9
307.06110	2.5
308.06671	3.5
309.07568	2.1
317.08444	9.5
321.07623	12.8
322.08371	2.1
323.09119	1.1
333.07471	2.8
335.09256	3.6
336.06320	0.8
347.09158	1.5
349.07059	5.4
349.10666	0.9
351.08627	4.8
359.09216	1.2
361.07108	1.6
363.08795	1.9
375.08655	2.1
377.10233	1.7
379.08200	5.4
387.08722	1.8
403.08118	2.4
405.09796	3.4
409.09146	3.0
415.08206	1.5
433.09232	17.5
451.10287	15.9
469.13058	100.0
470.13324	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1346
Annotation	Catechin-4-ol 3-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
53.00288	0.6
53.03933	0.8
55.01867	0.9
55.93103	0.3
56.96562	1.4
57.03427	1.2
57.79295	0.3
61.02924	1.2
65.03939	1.1
67.05486	0.5
68.99793	1.1
69.03430	3.3
70.06588	0.3
71.54488	0.6
71.54910	0.4
73.02908	0.6
79.05521	0.3
81.03411	1.4
82.96000	0.3
83.05022	0.5
85.02911	10.2
87.04457	0.6
91.03944	0.4
91.05467	0.5
93.03392	0.5
95.04959	1.5
97.02900	3.1
98.97579	0.6
99.04444	0.5
107.04989	0.7
107.13229	0.3
109.02892	1.1
109.84079	0.3
110.75124	0.4
111.00778	0.4
111.04435	1.6
111.05116	0.3
119.04967	0.5
121.02884	1.0
123.04431	5.5
127.03923	4.2
131.04948	0.6
133.02852	4.7
135.04460	2.6
139.03909	100.0
140.04192	0.7
144.68192	0.3
145.02808	0.6
145.04948	1.1
147.04440	1.1
149.06012	0.6
151.03909	9.3
153.05446	0.7
156.07918	0.4
159.04449	1.4
163.03929	9.8
165.05513	0.3
169.03558	0.4
169.04990	7.9
177.05475	1.6
179.00191	0.5
179.03429	1.3
179.07059	0.4
181.04973	5.9
195.06488	0.7
197.01277	0.7
201.05606	0.5
205.04982	2.9
213.00822	0.6
223.06186	0.4
229.05092	0.5
237.00784	0.5
245.04456	0.6
247.06032	1.1
253.00177	0.8
255.01900	0.4
257.04340	0.5
269.03992	0.4
271.01395	0.6
271.05933	0.5
283.97278	0.3
287.05603	0.6
289.07098	5.1
301.03580	0.6
301.06921	0.5
307.08115	2.9
309.03293	0.8
331.04892	0.4
331.10306	1.8
357.72949	0.4
393.05264	0.4
403.01456	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1138
Annotation	Cadensin G
Peak:m/z	Relative Intensity
67.05491	1.9
68.99777	1.2
69.03418	0.8
69.07066	1.6
72.86486	0.5
76.60551	0.5
76.73198	0.6
79.05503	0.8
81.03400	2.1
81.07043	1.8
93.07053	0.9
95.04981	1.1
95.36144	0.5
105.07025	1.1
107.04929	0.7
107.08602	1.0
109.02892	8.3
109.10120	0.6
110.03743	0.6
111.00776	1.2
111.04421	1.7
123.04409	0.9
125.02353	3.1
125.06050	2.9
126.03160	4.2
127.03944	1.2
133.06497	3.1
139.03883	1.2
140.04657	0.6
141.05484	26.7
153.01857	6.8
153.05469	5.3
154.02554	0.7
154.06216	2.1
155.07018	0.9
161.05988	6.7
168.04192	6.5
169.04979	100.0
170.05638	1.7
178.99834	0.8
183.06554	6.3
184.07329	73.9
185.08139	4.8
197.00880	1.8
203.03436	4.7
229.04927	7.4
257.00446	0.9
257.04492	34.5
258.05264	36.4
259.05658	0.6
263.01782	0.8
281.03162	0.8
283.05957	0.8
285.04062	1.0
286.04742	39.5
287.05026	0.9
312.02728	1.5
327.05060	1.5
437.08890	0.9
469.11346	96.2
470.11871	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.1
55.05518	13.0
56.63646	0.8
57.03436	1.8
57.07082	33.6
59.05000	3.7
65.03942	2.5
67.05512	100.0
69.07079	10.2
70.09367	3.3
71.04996	3.2
71.08639	26.8
77.24725	0.8
79.05504	3.2
81.07063	30.8
83.04968	0.9
83.08632	15.5
85.06552	2.8
85.10202	11.7
91.05483	7.2
93.07030	4.1
95.08615	24.3
97.09609	0.8
97.10184	4.3
107.08620	1.3
109.10168	80.2
111.08096	2.4
111.11741	1.1
114.85829	0.8
119.08609	5.0
121.10149	1.1
123.08127	1.0
123.11713	4.4
125.09682	0.8
133.08588	1.0
136.22632	0.9
137.06004	1.2
137.09645	3.6
137.13272	1.9
151.14804	0.9
155.10675	4.2
165.16380	1.3
173.11755	25.8
221.22687	0.8
233.04420	1.1
235.06189	1.1
239.23668	8.8
248.43851	0.9
393.50616	1.0
444.60367	1.1
467.37485	77.4
468.25226	0.9
468.37680	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	468.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78296	1.8
54.51382	2.1
56.96569	5.8
63.36917	2.4
70.06586	5.7
70.52826	4.3
70.53155	3.7
79.05488	3.2
79.71604	2.3
84.04513	4.0
91.05497	2.9
98.97607	5.9
103.05479	8.6
107.04950	3.5
115.97876	2.2
119.04929	2.8
120.08114	100.0
123.04359	3.0
126.05583	2.9
127.03905	6.7
131.04924	4.1
135.04485	3.3
139.03891	19.2
140.07071	6.0
145.02864	2.5
147.04390	5.1
147.60460	2.7
151.03909	2.7
152.04361	2.8
159.07732	3.8
163.03902	19.7
166.08659	49.5
226.42799	2.5
234.97015	3.8
245.04427	2.8
252.98001	7.9
257.04514	2.7
276.97638	3.1
468.09808	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	468.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.0
57.03437	1.8
61.02932	2.9
67.05509	8.3
69.03414	1.8
69.07063	4.8
70.06584	1.7
70.78532	3.5
71.04993	2.8
73.02902	2.3
79.05487	3.8
81.03414	2.6
81.07059	4.1
83.08616	2.1
85.02914	6.5
87.04475	1.8
90.14043	1.9
91.05489	21.1
93.07045	10.7
95.01366	2.5
95.04942	2.2
95.08617	16.0
97.06547	2.2
101.02386	6.5
105.07035	4.5
107.04951	4.7
107.08585	2.2
109.10152	9.0
115.07570	4.4
118.89699	1.5
119.04959	5.0
119.08592	50.5
119.09460	2.6
120.08120	1.7
121.02877	16.3
121.10231	1.8
126.03471	1.6
129.07028	1.8
133.05035	1.7
135.04520	1.6
137.09625	46.9
145.02873	1.9
147.04434	11.7
147.08055	6.5
155.10678	4.4
165.09123	9.2
175.03931	3.3
183.10094	2.9
187.03928	2.1
189.05580	1.6
190.02557	2.4
191.08173	4.0
201.05466	2.4
201.11244	37.3
203.03403	23.4
203.06880	1.4
204.04144	1.8
213.05634	2.1
215.03407	2.8
217.05037	3.0
221.04465	6.7
233.04442	2.4
241.05048	3.1
257.13858	100.0
258.44424	1.7
269.04276	1.6
271.15366	3.7
275.14795	4.0
279.06567	7.2
281.08105	2.2
293.08032	7.4
295.06277	3.1
295.09595	1.7
307.06110	13.0
307.12750	2.0
308.06769	16.6
309.07593	6.6
321.07596	43.7
322.08453	9.4
323.09122	3.3
329.06827	3.3
333.07605	11.0
335.09146	11.6
337.07010	3.6
347.09183	4.5
349.07083	21.2
349.10745	3.6
351.08643	18.5
359.08969	3.8
361.07010	9.0
363.08603	8.5
375.08701	6.3
377.10156	4.5
379.08194	21.3
387.08624	8.7
391.08099	3.1
403.03238	5.1
403.08142	10.1
405.09805	11.4
409.09256	9.3
415.07928	3.9
418.13556	2.0
433.03622	3.2
433.09222	44.8
449.10760	2.4
451.10284	54.2
469.05267	3.0
469.11328	34.2
487.05530	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	467.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
55.05505	1.0
55.26349	0.3
55.97971	0.3
57.07063	0.5
67.05491	1.2
68.99789	0.8
69.07073	3.9
69.17356	3.6
71.04971	0.4
79.05496	4.5
81.07079	2.1
83.04979	1.4
83.08604	0.5
86.72772	0.4
90.04696	0.5
91.05482	3.4
93.07053	3.1
95.04990	1.0
95.08607	1.3
97.06554	0.4
98.21581	0.4
99.27916	0.4
103.05466	2.7
105.07044	5.1
107.04971	1.0
107.08607	3.0
109.02839	0.5
109.06521	1.1
109.10168	0.4
117.07008	1.8
118.04169	2.9
119.04933	1.2
119.08570	2.7
121.06511	11.2
121.10144	1.0
123.08050	2.4
129.06975	1.2
131.08603	3.0
133.06497	25.6
133.10104	1.1
135.04445	1.2
135.08054	6.1
135.11702	1.8
137.05972	1.3
142.07784	1.2
143.08554	0.7
145.06479	1.0
145.10133	1.8
147.04463	0.4
147.08026	1.9
147.11717	2.1
149.05969	1.4
149.09599	0.6
151.03911	0.4
151.07597	0.4
155.08586	0.8
157.10118	3.7
158.10921	0.5
159.08031	1.9
159.11700	1.4
161.05989	100.0
162.06310	0.9
163.07552	4.2
163.11266	0.7
163.14890	0.4
167.07040	0.4
169.10178	0.3
172.08868	0.4
173.05927	1.0
173.09641	0.5
173.13249	2.8
174.71327	0.4
175.07626	1.0
175.11176	4.9
177.05531	0.7
177.09204	0.7
177.12772	0.7
179.07056	0.6
181.08665	0.7
183.11786	0.5
185.05956	0.6
185.09608	1.7
187.07565	1.2
191.07025	2.3
191.14319	1.6
193.12231	0.5
201.05437	0.5
201.09077	0.6
201.12791	3.4
203.07056	3.8
203.08635	0.5
203.09001	0.5
203.10658	4.2
205.04959	0.9
205.08624	0.9
205.12286	1.5
215.10629	0.4
217.08521	0.6
217.12230	0.8
219.06628	0.6
219.13788	6.4
220.03615	0.6
221.11737	1.8
221.15398	1.7
225.08977	0.6
229.12126	2.0
231.06509	1.6
233.04469	0.6
235.06145	0.5
237.07579	0.8
237.14999	0.4
242.66284	0.4
243.10234	0.6
245.11810	1.3
247.06041	5.0
247.13339	4.1
249.07738	1.2
255.06407	0.7
259.06046	5.4
263.09274	0.5
265.07098	0.9
265.14331	3.4
269.11707	0.7
271.09616	4.4
273.07623	0.8
277.07117	2.7
285.07751	0.7
285.10986	0.8
287.12796	1.0
289.10733	3.5
297.11212	3.7
305.14026	0.7
307.11832	1.5
315.12277	7.3
333.13284	5.9
351.14404	0.8
379.19043	1.6
381.13257	0.4
387.16342	0.7
393.13318	3.8
405.16956	3.7
423.18094	3.3
431.18848	0.5
448.15744	0.4
449.19641	2.4
467.20419	0.9
467.30972	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	28.1
69.03429	9.0
69.86228	7.7
69.86520	38.6
70.06600	13.7
79.05515	6.0
82.19046	7.3
84.08165	10.9
91.05477	6.3
97.02921	7.3
98.21210	21.9
98.97591	22.6
109.76974	6.4
116.98618	10.6
120.08131	50.5
122.06058	15.5
123.04407	14.3
127.03883	9.3
135.04477	11.5
138.05493	50.0
139.03911	99.7
140.07082	100.0
145.02834	9.3
147.04391	20.4
151.03918	18.1
163.03902	47.7
166.08655	15.2
177.05495	8.6
179.03493	17.3
212.83267	7.0
225.05440	8.1
237.02689	9.1
247.74550	6.3
259.06006	8.1
271.06018	9.5
275.97299	13.0
287.05481	12.8
289.07193	9.9
299.05533	26.7
301.06876	7.0
302.00943	9.8
305.06375	9.3
305.20667	7.7
311.05539	8.5
407.13608	7.7
449.08411	11.6
467.09863	60.5
467.16278	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	467.2069
Annotation	Eriotriochin
Peak:m/z	Relative Intensity
53.03942	1.4
55.05513	1.3
56.96572	0.8
59.04983	0.9
61.96798	0.6
67.05502	2.3
69.07075	3.7
79.05500	3.7
81.07057	1.8
83.01394	0.6
83.04971	1.5
83.49506	0.6
90.04719	0.7
91.05495	3.2
91.53178	0.6
93.07063	3.3
95.04971	1.1
95.08616	1.8
98.20760	2.2
103.05489	2.8
105.07038	4.7
107.05016	1.0
107.08601	3.2
109.02931	0.8
109.06534	1.0
111.04449	1.0
113.62780	0.7
117.07017	1.5
117.16943	0.7
118.04176	2.2
119.04963	1.0
119.08584	3.3
121.06521	13.2
121.10129	1.3
123.08107	2.1
129.07027	1.1
131.08585	4.0
133.06500	26.3
133.10144	1.8
135.04454	1.6
135.08060	3.6
135.11717	2.1
137.05991	1.2
142.07841	0.8
143.08551	1.1
145.10115	1.4
147.04416	1.1
147.08035	2.0
147.11714	2.2
149.02415	1.3
149.05963	0.7
149.09612	0.8
151.07579	0.8
156.64922	0.6
157.10107	3.4
159.08096	2.3
159.11702	1.6
161.05997	100.0
161.13254	1.3
162.06337	1.2
163.07544	2.1
173.09637	0.9
173.13283	3.5
175.11264	3.8
177.12747	1.3
179.07034	0.8
183.11696	0.9
185.05893	1.0
185.09662	1.4
187.07611	1.0
189.05569	0.7
191.07083	1.6
191.14365	1.8
193.12299	1.1
195.06493	0.7
201.12759	2.3
203.07013	3.2
203.10658	5.8
205.05026	1.0
205.08652	0.8
205.12250	1.1
209.08038	0.9
219.06546	0.9
219.13771	6.2
221.08217	1.0
221.11668	1.8
221.15382	1.9
229.12222	1.9
231.06523	0.8
245.11873	1.0
247.06058	4.2
247.13342	4.6
265.07281	1.1
265.14398	3.5
271.09650	4.9
273.07626	1.4
277.07123	2.1
287.12930	1.4
289.10721	4.4
297.11304	2.5
307.11865	1.3
315.12283	7.8
332.67419	0.8
333.13321	7.0
333.17258	1.7
379.19110	1.1
393.13480	1.0
405.16928	3.2
423.18155	4.2
449.19617	1.8
467.20602	1.2
467.31873	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2069
Annotation	Eriotriochin
Peak:m/z	Relative Intensity
55.05519	1.5
57.07084	1.7
67.05519	1.8
69.07078	7.7
79.05503	6.0
81.07043	2.8
83.04957	1.4
91.05501	8.5
93.07063	4.6
95.08585	2.6
103.05461	2.1
104.19944	1.4
105.07034	10.1
107.04956	2.6
107.08618	4.9
109.06522	1.7
112.08231	1.3
115.05459	1.4
117.07068	3.6
117.35213	1.1
118.04189	2.8
119.04938	1.2
119.08595	7.3
121.06521	17.0
123.08086	5.1
127.70824	1.2
128.06245	1.9
129.07051	4.3
131.08588	16.2
133.06509	34.1
133.10161	4.9
135.08058	11.3
135.11661	1.8
141.07011	2.8
142.07765	3.1
143.08583	2.8
144.05782	1.8
145.02858	3.8
145.06503	4.4
145.10153	7.1
147.08080	5.9
147.11751	2.2
149.05945	2.0
149.09634	3.1
149.13260	1.5
155.08557	3.2
157.06606	1.3
157.10149	7.2
158.10760	1.3
159.04526	1.9
159.08066	11.6
159.11708	3.4
161.06006	100.0
161.13269	8.3
163.07542	3.1
163.14789	1.8
169.06480	1.7
171.08000	1.4
171.11844	1.9
172.08873	2.9
173.06049	1.3
173.09641	4.1
173.13277	12.7
175.11179	7.1
177.09137	1.5
183.11700	3.2
185.09567	2.0
187.07607	7.1
187.11130	1.5
191.07095	2.8
191.14418	6.3
199.07582	2.1
199.11060	1.2
201.12767	26.6
203.07094	4.2
203.10687	2.8
205.05139	1.5
205.08595	9.8
205.12221	1.9
211.11252	3.0
215.07042	1.3
217.04970	1.5
217.08469	1.6
217.12263	1.5
218.05634	1.2
219.13846	14.4
229.05074	1.2
229.12292	14.3
231.06499	2.1
247.06091	6.3
247.13356	14.6
255.06560	5.5
260.77411	1.2
262.13840	1.4
265.14389	11.0
268.07205	1.2
269.11768	3.9
271.09598	4.1
271.12665	1.2
273.07498	7.6
277.06970	1.5
279.10312	1.6
287.12943	5.5
289.10724	2.5
291.12305	1.4
297.11237	23.8
305.13901	3.6
315.12292	47.3
323.12900	1.3
333.13370	25.2
351.14554	1.4
381.13303	1.3
407.18481	2.3
431.18488	6.3
449.19733	11.9
467.20651	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1894
Annotation	Trp Asp Phe
Peak:m/z	Relative Intensity
50.07241	0.4
52.64322	0.4
53.29500	0.4
53.35038	0.4
69.03430	0.5
69.75974	1.0
69.76375	1.8
72.08175	0.6
85.02916	1.1
98.97576	1.0
107.04931	0.5
123.04433	2.6
127.03892	0.5
135.04401	0.6
137.02379	1.3
139.03951	1.2
147.04433	1.0
148.99962	0.5
149.02359	1.2
151.03908	0.8
151.05685	0.4
153.01865	2.3
153.05498	1.1
163.03912	1.1
165.01877	1.1
171.05043	1.0
177.01877	0.6
179.03444	1.4
185.04233	1.0
191.03424	0.7
193.04944	0.5
195.02869	3.1
203.05244	0.6
213.05504	0.4
219.02878	0.7
231.02785	0.7
231.06540	1.5
243.02931	0.5
249.04085	0.4
259.06146	0.9
279.14423	4.5
287.05307	0.5
287.12402	2.5
293.09094	0.5
297.15558	0.8
305.06708	0.9
305.12485	0.6
317.06577	0.8
323.13605	3.3
347.13461	4.1
348.44522	0.5
365.14584	2.5
371.07605	0.6
407.12296	0.9
441.66876	0.5
449.17883	2.4
467.18930	100.0
468.19153	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	466.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.05518	1.5
57.03442	6.5
57.07074	1.6
61.02926	2.1
61.83717	0.7
67.05515	7.5
69.03435	6.0
69.07077	5.0
70.18777	1.9
71.04996	0.8
73.02921	11.8
79.05497	12.0
81.03436	1.2
81.07063	100.0
82.07419	0.9
83.04988	0.7
83.08630	1.6
85.02909	13.0
87.04486	1.6
91.05479	1.4
93.07040	5.3
95.08614	15.9
97.02904	13.0
97.06549	0.9
98.20871	0.8
98.97616	1.2
99.04489	1.3
105.07008	1.5
107.08620	2.1
109.02954	0.9
109.10193	1.8
115.03938	11.1
116.98629	0.8
119.08652	1.0
121.10180	1.0
127.03915	4.1
131.08595	1.7
133.04967	5.5
133.10159	0.7
134.77827	0.7
135.11681	1.0
137.06068	0.7
137.13264	20.4
138.13678	0.7
139.52274	0.7
145.02823	0.7
145.04948	5.1
149.13292	2.0
159.11736	2.0
163.06075	2.4
165.89107	0.6
177.12759	1.7
194.21030	0.8
195.13911	1.1
197.51305	0.7
223.06107	0.9
241.07170	1.2
259.08176	0.9
269.03445	0.8
269.17493	10.7
269.20126	0.8
271.06033	2.6
272.06314	2.3
295.10110	1.6
448.11133	1.2
466.12363	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	467.119
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
55.01879	2.8
57.03432	3.2
64.44894	1.0
66.87037	0.8
67.05514	1.7
67.54681	0.9
68.99788	13.9
69.03423	2.1
70.49979	0.9
70.89314	1.6
72.08154	1.1
72.76000	1.0
79.05486	1.6
81.03431	4.6
85.02904	9.6
86.06076	1.3
86.09692	2.6
89.03933	0.9
91.05488	1.8
93.07050	1.0
95.04987	2.9
97.02905	2.4
97.06507	1.1
98.97596	2.3
100.99559	1.0
103.03940	1.4
107.82711	1.0
109.02879	2.2
111.04459	2.3
114.88866	1.0
116.98618	1.5
119.04932	2.0
120.08185	1.0
121.02903	3.8
123.04439	12.5
125.02357	0.9
127.03899	3.2
131.04909	1.3
135.04425	2.8
136.04021	1.3
136.07597	1.5
137.02354	100.0
137.03401	6.7
137.05965	3.0
138.02673	1.2
139.03925	5.3
139.21143	0.9
140.07188	1.1
145.05023	2.0
146.05984	1.0
147.04446	6.6
149.02312	1.0
149.05974	1.8
150.88240	1.0
151.03918	9.4
153.01872	11.9
153.05466	26.3
158.99678	1.3
163.03914	7.0
165.01860	16.5
165.05475	5.6
169.04991	1.0
177.01859	9.7
177.05374	1.3
179.03397	18.5
183.02948	3.8
189.05455	1.6
191.03401	8.6
193.04977	8.1
194.14845	0.9
195.02892	23.1
203.03529	1.2
204.57001	1.0
205.04968	8.5
207.02977	1.4
217.04932	3.6
219.02914	22.7
231.02901	4.0
233.04495	1.5
235.06001	3.6
239.05669	1.3
241.13461	1.1
249.03937	7.2
253.07024	1.5
259.05981	1.1
261.03976	8.2
271.08084	1.0
279.05106	5.9
287.13947	1.4
297.06027	10.2
299.05579	9.8
305.06625	2.3
305.10303	6.6
305.14481	2.3
305.20691	1.2
311.05533	8.5
315.07159	1.4
329.06561	16.7
347.07321	2.0
353.06488	3.9
371.07632	3.8
383.07584	8.7
395.07492	2.2
410.51917	1.1
413.08759	3.8
421.09351	1.2
431.09622	6.7
449.10858	2.3
467.09796	2.7
467.18314	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27914	0.8
55.05503	1.1
57.03447	4.0
57.07073	1.8
61.02912	1.1
64.90974	0.7
67.05494	3.6
69.03080	1.1
69.03432	14.9
69.07059	3.0
70.06444	3.5
79.05500	6.8
81.07063	100.0
82.07373	1.3
85.02436	0.9
85.02911	12.1
87.04469	8.8
93.07043	1.3
95.08614	16.3
97.02893	11.6
98.21531	1.5
99.04414	1.0
105.07034	1.2
109.02879	0.9
109.10169	1.4
115.03943	17.7
123.04486	1.0
127.03884	2.2
133.04973	19.8
137.13264	21.8
145.04982	1.8
150.07597	1.6
159.11690	0.9
163.05925	1.0
165.88945	0.9
185.13210	0.8
279.10114	0.8
295.10294	1.1
334.63876	1.0
474.96133	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01866	1.4
55.05508	3.1
57.03440	18.1
57.07063	2.4
59.05003	2.1
60.04512	0.6
61.02935	4.0
67.05511	7.6
69.03434	36.0
69.07068	9.3
71.01349	1.6
71.04998	1.4
71.46820	1.0
73.02506	1.0
73.02920	18.6
79.05500	9.2
81.03429	3.2
81.07060	100.0
82.07401	1.2
83.04994	1.7
83.08618	2.0
85.02908	35.7
85.06557	1.5
87.04472	18.5
91.03974	1.1
91.05492	2.5
93.07043	6.0
95.04977	1.3
95.08613	26.2
96.08918	0.9
97.02896	34.7
97.06525	1.2
97.10156	0.9
98.97596	1.3
99.04456	1.9
100.11254	1.0
103.03965	1.4
105.07040	3.5
107.05019	0.8
107.08600	3.5
109.02882	2.8
109.06512	1.2
109.10153	3.7
111.04446	1.0
111.08117	1.8
111.11726	8.2
115.03936	41.8
119.08572	2.7
121.06542	0.8
121.10152	2.3
123.04431	1.1
123.08073	1.1
123.11724	1.5
125.09604	0.9
127.03919	7.6
131.08591	1.0
133.04974	37.4
133.10141	1.7
135.08063	1.3
135.11714	2.2
137.13263	26.3
143.08565	0.9
145.04959	6.7
147.11661	1.6
149.13272	1.9
150.07623	6.0
151.03880	0.7
153.01811	0.7
153.12743	1.6
155.14285	8.7
159.11700	1.9
160.02708	0.7
161.13277	1.4
163.06041	2.3
165.09119	0.8
165.12846	1.0
175.11156	0.9
177.12808	1.1
179.14336	1.5
187.06091	0.7
187.14967	0.9
193.05055	0.8
213.11279	0.8
215.14273	0.9
217.85130	0.8
221.15289	0.9
223.06091	2.0
233.15530	1.2
239.16473	1.0
241.07126	2.6
251.16338	0.9
259.08264	2.3
263.16522	1.0
269.17642	1.9
277.09247	1.0
281.17517	0.9
295.10361	2.0
467.19040	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	465.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.4
55.01862	10.3
55.05514	42.5
56.96550	3.8
57.03445	27.4
65.03938	5.5
67.05511	93.8
69.03413	7.3
69.07069	28.4
71.01372	3.6
71.04996	14.1
71.55264	3.9
71.55692	3.0
72.06891	2.8
79.05499	96.1
79.35726	2.7
81.03420	73.8
81.07059	71.8
83.04987	29.5
83.08624	27.5
85.02911	32.7
85.06538	7.6
91.04914	2.8
91.05486	82.5
93.07053	90.4
95.04977	82.1
95.08621	32.6
97.06550	16.4
97.10162	18.2
99.08090	4.2
103.05495	3.9
105.07037	40.0
107.04951	12.2
107.08605	57.5
109.06518	16.0
109.10162	20.9
111.04436	5.6
111.08090	18.3
113.06030	3.1
115.05456	3.3
116.98676	3.1
117.07026	19.2
119.08572	32.9
121.06535	11.1
121.10138	22.5
123.08096	6.2
123.11751	4.0
125.09635	10.3
125.40746	3.0
129.07022	12.1
130.07829	3.1
131.08575	19.3
133.06461	3.9
133.10141	18.7
135.08066	7.8
135.11700	64.0
137.06065	2.7
137.09636	6.8
145.10117	22.7
146.03651	3.1
147.04396	3.8
147.08047	5.8
147.11691	17.2
149.09642	8.9
151.11211	5.1
153.01926	3.3
153.12753	3.5
155.08446	2.9
157.10132	16.5
159.11711	8.6
161.06064	3.6
161.09610	3.9
163.11186	13.3
165.12790	4.2
169.10182	3.0
175.11218	19.5
177.12785	4.3
181.12259	11.8
187.11205	6.9
189.11261	4.6
193.12248	71.3
193.80534	2.8
203.03543	3.1
211.13298	65.2
212.13794	3.1
219.14139	3.5
221.15372	3.4
223.13278	7.0
227.12653	3.8
229.04971	7.0
229.14342	4.1
242.05794	8.5
249.14876	4.5
255.16008	6.1
257.04495	30.2
258.05176	13.9
267.16025	8.9
276.93796	3.0
285.04077	5.4
286.04706	19.3
287.05502	10.6
303.05136	4.7
311.05487	4.2
329.21109	10.9
355.22739	11.0
373.23810	25.6
403.24957	5.0
421.26138	6.6
435.10864	5.3
435.64282	3.3
447.10773	10.4
447.27319	16.6
465.11893	59.3
465.28543	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.6
57.03428	4.5
59.92580	1.0
67.05495	3.4
69.03136	1.2
69.03432	14.0
69.07068	3.3
69.89366	4.2
70.13770	1.2
73.02930	1.3
79.05495	7.8
81.03420	1.9
81.07063	100.0
82.07362	1.4
85.02911	13.6
87.04478	10.2
91.05490	2.1
93.07028	2.4
95.08614	8.9
97.02910	11.6
98.20803	1.1
98.97613	2.0
105.07022	2.6
107.08581	2.6
109.02866	1.1
109.10153	2.1
115.03922	19.5
119.08516	1.2
121.10160	1.8
123.11671	1.4
127.03920	2.5
133.04968	19.9
133.10086	1.4
134.69225	1.1
137.13263	24.9
145.04964	3.3
145.10110	1.4
147.11739	1.8
148.12001	2.1
159.11673	1.8
218.08797	1.5
253.90651	1.3
257.04388	2.7
258.04852	3.5
259.05621	1.5
259.08151	1.9
286.04706	1.6
286.17322	3.4
287.05051	3.1
295.10147	2.6
422.15070	4.6
448.10968	2.4
466.13635	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	465.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	2.5
61.02959	1.2
69.03417	5.0
69.91850	5.9
73.02911	1.4
81.03430	2.5
85.02915	6.6
89.43197	1.0
97.02897	3.6
117.03358	1.3
123.04405	1.8
127.03949	1.7
139.03851	1.2
145.02859	2.0
147.04417	3.1
163.03914	1.2
177.05484	3.5
196.09972	8.6
197.10716	3.2
206.08415	19.6
209.07007	1.7
210.11528	1.4
211.08849	1.4
211.12361	9.1
220.09940	3.6
221.10709	7.9
223.08627	6.2
224.09476	9.0
227.08165	4.1
229.08768	1.3
237.10199	3.7
238.11015	8.7
239.08176	1.6
239.11800	27.0
241.09715	2.4
252.09106	1.7
254.10550	2.2
257.12881	2.7
267.11307	59.8
269.03394	2.6
272.11566	6.4
285.12350	70.5
287.04587	1.8
303.05200	11.4
303.13409	100.0
304.13345	1.6
465.19040	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	465.1186
Annotation	Isohydnocarpin
Peak:m/z	Relative Intensity
53.34975	0.6
60.13310	0.6
62.66812	0.6
67.05364	1.3
69.03328	0.7
69.06944	0.9
69.07267	0.6
70.60117	1.6
79.05371	1.1
81.06901	0.9
81.07333	0.8
91.05356	0.7
93.06873	0.7
95.08424	0.8
112.76400	0.7
121.06285	0.6
123.04314	1.2
127.03783	0.7
135.04237	0.6
137.05759	4.2
147.04211	1.3
150.06581	0.7
153.01598	16.4
153.02977	1.6
160.05022	0.7
173.05830	1.0
178.07602	0.8
205.04778	0.7
205.06459	0.7
206.07083	0.7
221.05957	0.7
223.07469	1.2
224.08035	0.8
232.85497	0.6
234.06702	1.2
235.07417	0.7
242.05528	0.8
251.06754	1.2
255.06322	0.7
257.04163	2.2
258.05280	5.2
263.06973	1.1
265.04840	1.1
271.05923	2.7
272.06650	1.5
280.07126	0.9
282.04974	0.7
286.04752	5.1
293.04398	0.8
295.05911	1.0
297.03906	1.4
298.04660	0.8
299.05310	2.7
300.06171	1.4
310.04306	0.7
311.05511	19.8
321.07462	0.7
323.05402	1.5
329.07962	1.1
333.07327	1.0
347.09119	1.8
350.07837	0.7
357.07599	1.0
358.08313	2.7
359.09210	5.6
360.06296	0.9
361.07175	4.9
369.07434	2.0
374.07870	1.3
375.08640	11.2
376.09525	4.6
385.06888	1.7
386.07813	6.2
387.08563	7.6
390.07321	0.7
391.07956	2.0
397.07089	1.5
402.07373	0.9
403.08154	26.7
404.08862	4.3
413.06509	0.7
414.07419	3.1
415.08224	9.2
416.08850	2.4
419.07593	19.2
420.08408	11.1
431.07660	6.5
432.08447	70.3
433.08807	2.6
435.10794	50.3
436.11111	1.2
447.10800	93.9
448.11090	2.7
465.11887	100.0
466.12106	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1733
Annotation	Icariside A5
Peak:m/z	Relative Intensity
56.05016	1.0
57.43432	0.9
63.22952	1.0
67.05499	1.7
69.03410	1.7
69.07051	0.9
70.06596	1.4
71.04988	1.5
81.03412	1.4
81.07062	2.1
81.56543	0.9
82.06587	1.0
84.04501	2.2
85.02894	4.1
86.09712	1.5
91.05476	1.4
97.06537	1.2
105.07056	1.6
107.08571	1.1
119.08507	1.0
120.08091	1.3
121.10123	1.3
123.04426	1.3
123.56523	1.2
133.02916	1.9
134.06026	1.5
135.04385	1.1
140.07019	1.4
151.03894	4.1
153.01822	6.1
156.06468	1.3
158.02753	1.5
162.05473	2.3
163.03932	2.4
165.01859	2.9
167.03412	2.8
170.11617	1.0
176.03729	1.5
177.01883	2.7
179.03442	2.2
179.11818	2.0
185.04233	2.1
191.03352	1.7
195.02913	5.3
197.12851	9.0
205.04890	2.2
217.04951	2.7
242.06013	1.1
243.08722	2.4
259.06003	1.8
271.16568	2.9
273.12653	3.9
274.13034	6.0
285.07538	1.8
287.05377	1.1
288.06451	1.2
289.17599	3.6
299.14059	1.4
303.05249	6.8
303.08658	3.7
303.11984	52.4
313.11890	1.5
315.04993	31.9
315.13281	2.1
316.05789	12.7
327.04901	4.9
329.06619	7.9
333.94806	0.9
341.06540	1.8
343.04428	1.2
345.06076	33.6
355.08078	7.0
357.05969	2.7
369.06036	8.6
371.62195	1.0
375.07141	3.6
378.15326	2.1
383.07733	2.8
399.07278	6.9
411.07108	4.1
429.08066	11.4
429.16620	2.0
447.09317	23.5
447.17395	3.8
465.10223	36.9
465.17288	100.0
466.10663	1.6
466.17621	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	465.1184
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
57.05344	0.3
57.27114	0.4
67.01841	0.5
67.05475	0.6
68.99779	0.6
69.57595	0.7
69.57997	1.9
69.92476	0.4
70.42406	0.4
79.05473	0.5
91.05493	2.3
102.04644	1.4
105.07018	0.6
110.03642	0.5
118.04111	0.4
119.04904	1.3
123.04417	0.7
127.40345	0.4
130.04140	1.5
131.04939	0.6
131.43938	0.5
135.04422	1.2
136.05246	1.8
137.05968	1.2
146.03645	3.7
147.04407	2.5
148.05193	4.4
153.01845	7.0
154.32344	0.4
161.05971	2.4
162.06757	0.7
163.03868	1.2
203.03383	5.0
213.05556	0.7
229.04947	5.8
230.05284	0.7
241.04990	1.6
242.05753	12.5
249.11983	0.4
253.04945	3.9
255.06497	0.7
257.04459	52.1
258.05237	19.3
259.05774	0.6
269.04544	2.6
270.05273	3.0
271.06027	1.5
283.06134	1.0
285.03992	6.8
286.04730	32.1
287.05493	15.7
288.05838	0.5
297.03955	6.4
299.05530	1.9
327.05020	1.8
341.06525	1.3
373.07175	1.1
375.08859	0.5
385.40674	0.4
387.08673	0.5
389.06534	0.6
391.08292	0.7
403.07880	1.8
404.08551	0.5
412.15170	0.4
414.07239	0.5
415.08118	0.5
431.07639	0.6
432.08435	2.1
435.10818	4.0
447.10742	15.8
448.11066	0.7
465.11859	100.0
466.12076	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	465.1034
Annotation	5,7,3',4',5'-Pentahydroxyflavone 8-C-glucopyranoside
Peak:m/z	Relative Intensity
56.96555	5.3
57.03446	4.7
70.06593	4.7
71.54502	4.9
78.49233	3.4
79.75819	3.5
81.03402	4.7
83.93163	3.6
85.02894	8.0
91.05462	3.9
94.14922	3.7
97.02882	6.4
98.97585	6.5
99.00061	4.3
103.03938	4.8
107.01359	3.7
109.02884	7.4
110.95797	3.9
116.69556	3.8
119.04955	4.2
120.08184	5.6
120.90330	4.3
121.02891	8.4
123.04430	8.3
127.03947	5.3
127.08754	3.5
137.02362	94.3
137.03404	7.6
147.04433	13.8
149.02336	5.6
151.03973	5.1
153.01987	4.4
161.02353	8.3
163.03928	14.7
165.01872	6.1
166.86229	4.0
177.05453	4.5
179.03413	8.7
187.04010	5.3
191.03497	6.0
195.02980	6.8
201.05446	4.5
203.03404	7.2
225.40080	3.6
229.04964	5.1
237.00600	3.9
259.06250	4.3
267.11508	4.7
271.05957	11.4
275.05472	4.4
281.04413	4.8
285.12369	7.9
287.05447	12.7
299.05499	27.0
302.04221	4.3
303.04962	27.0
303.13425	12.8
315.04987	98.6
315.08621	5.2
316.05762	15.0
317.06531	15.9
327.05051	25.4
329.06787	6.2
341.06549	16.1
345.06061	100.0
346.06360	5.7
355.08218	11.3
369.06210	28.4
381.06009	7.0
399.07086	13.7
411.07227	14.0
429.08044	20.3
447.09280	38.6
448.09760	5.0
465.10394	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	465.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54860	0.4
53.37634	0.3
55.01862	0.4
55.05481	1.0
56.96543	0.3
57.03412	0.6
58.81434	0.3
61.02902	0.4
61.17546	0.3
65.03921	0.4
67.05508	3.3
69.03405	0.4
69.07037	1.5
69.30538	1.8
69.30965	1.0
71.04955	0.5
79.05499	2.4
81.03391	0.8
81.07071	2.6
83.04951	0.4
83.08610	0.6
85.02872	0.4
86.58119	0.4
91.05472	3.0
93.07040	2.1
95.04937	1.3
95.08581	1.5
97.02897	0.3
97.06520	0.3
97.10140	0.3
98.97551	0.4
105.07011	1.6
107.04929	0.6
107.08568	1.2
109.02889	0.4
109.06469	0.6
109.10142	1.3
110.03667	0.5
111.11656	0.4
119.04960	0.7
119.08578	0.9
121.10155	0.7
123.04417	1.2
131.04901	0.8
131.08551	0.4
133.10124	1.0
135.04387	0.7
135.11670	1.1
136.05202	1.1
137.05965	0.7
138.06734	0.8
145.06476	0.4
145.10109	0.4
146.03569	0.7
147.04381	1.2
148.05188	1.0
149.09575	0.3
153.01822	2.7
157.10120	0.4
161.05975	0.8
166.06235	0.7
169.57133	0.3
187.11191	0.4
193.12291	0.6
203.03407	7.9
211.13425	0.5
229.04958	7.7
234.80728	0.4
241.04945	1.0
242.05750	3.3
255.06584	0.4
257.04462	100.0
258.05124	5.1
269.04428	0.5
270.05389	0.7
285.03967	4.5
286.04742	9.1
287.05505	9.1
295.05994	0.5
297.03967	7.9
299.05429	0.7
300.06311	0.5
327.05066	0.5
359.17010	0.3
371.97192	0.3
373.06949	0.4
375.08969	0.8
377.06601	0.3
391.08234	0.8
403.08154	2.1
432.08612	1.2
433.08923	0.4
435.10837	5.1
447.10757	3.3
447.27496	0.4
465.11859	99.3
465.28018	1.9
466.12268	3.3
473.80927	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1035
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.79528	0.2
53.03934	0.6
55.01861	0.8
56.96564	0.3
57.03418	0.8
61.02944	1.6
63.13229	0.2
65.03909	0.3
68.99802	1.1
69.03087	0.3
69.03436	4.1
70.06582	0.7
71.04995	0.4
71.55634	0.2
73.02912	0.6
79.05468	0.2
81.03423	2.1
83.08620	0.3
84.08096	0.3
85.02911	10.6
86.09688	0.7
87.04463	0.6
91.03942	0.5
91.05471	0.4
93.03379	0.4
93.07086	0.3
95.04971	0.5
97.02891	3.2
99.04477	0.6
100.60807	0.2
107.04926	0.4
109.02902	1.9
111.00819	1.1
119.08531	0.3
120.08091	0.7
121.02887	2.2
123.04437	0.3
127.03935	1.8
133.30473	0.2
135.04482	0.4
135.08070	0.3
137.02350	4.2
145.02887	0.3
145.04950	1.5
145.06519	0.2
147.04395	0.4
149.02309	0.5
153.01828	4.7
155.04846	0.4
159.15947	0.2
161.05957	0.3
163.03903	1.1
165.01863	2.8
173.05959	0.4
177.01941	0.7
177.05472	0.4
179.03581	0.3
183.02948	1.4
183.04391	0.4
187.03920	0.4
191.03471	0.4
195.02956	1.9
201.05484	2.3
203.03334	0.5
205.05135	0.4
213.04283	0.3
219.02963	0.7
219.06512	0.4
228.04190	0.3
229.05009	5.3
231.02892	0.6
231.05421	1.7
243.02885	0.2
247.06075	0.7
249.06511	0.9
257.04471	3.1
261.04083	0.5
267.11340	0.4
274.04694	0.8
285.04065	1.3
285.12329	0.3
303.05014	100.0
304.05267	2.6
307.06036	0.4
308.06729	0.4
315.05035	0.8
315.08688	0.6
315.16696	0.2
321.07651	1.1
322.08353	0.3
333.07401	0.4
345.06058	0.4
347.09229	0.7
349.07007	0.5
351.08932	0.5
363.08838	0.3
369.09836	0.5
375.08636	0.9
379.10306	0.4
391.07281	0.3
403.08188	0.9
419.10693	0.3
447.10641	1.8
465.11688	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	465.103
Annotation	Isoquercitrin
Peak:m/z	Relative Intensity
50.12656	0.1
50.58026	0.1
67.01855	0.4
68.99792	0.4
69.03422	0.2
70.94166	0.3
72.08137	0.2
72.86289	0.1
78.40197	0.1
80.48753	0.2
81.07034	0.2
85.02924	0.2
86.09704	0.4
95.04985	0.2
97.02901	0.3
105.03384	0.3
115.03928	0.3
119.04919	0.2
120.08097	0.4
121.02852	0.3
127.03897	0.3
133.02838	0.5
133.04987	0.3
143.07304	0.1
147.04388	0.2
151.03883	1.6
153.01840	5.2
170.62341	0.1
171.02882	0.3
173.02338	0.2
177.01828	0.5
201.05530	0.2
203.03391	1.0
221.79918	0.2
229.04982	0.8
257.04456	1.7
285.03961	0.8
299.05576	0.2
303.04996	100.0
304.05344	2.2
345.06134	0.2
414.45657	0.2
437.90955	0.2
447.09866	0.2
465.10855	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01868	0.7
55.05504	0.6
57.03428	1.1
61.02916	1.2
68.99798	0.7
69.03137	0.3
69.03436	3.7
70.06583	0.6
70.34170	0.3
71.04993	0.5
71.32204	0.5
72.33208	0.3
73.02917	0.6
76.32341	0.3
81.03424	2.0
81.07063	0.4
85.02910	9.7
86.09681	0.6
87.04412	0.4
91.03942	0.5
91.05467	0.4
93.03371	0.4
95.04980	0.7
97.02902	3.9
99.04452	0.7
107.04913	0.4
109.02869	1.6
110.86070	0.3
111.00811	1.3
120.08109	0.6
121.02877	1.5
121.10052	0.3
123.04414	0.5
127.03944	1.7
131.04865	0.3
135.04420	0.3
136.07642	0.5
137.02359	3.6
137.06004	0.4
145.04932	1.4
153.01837	5.0
161.05951	0.5
163.03932	0.7
165.01857	2.0
173.05954	0.4
183.02933	0.7
187.03931	0.6
195.02898	0.6
201.05496	2.0
203.03365	1.1
220.15033	0.4
220.65117	0.5
229.04951	5.4
229.15472	0.8
229.65614	0.5
238.16031	3.2
238.66176	3.0
239.16028	1.5
246.14915	2.1
246.65190	0.5
247.06062	0.8
257.04443	3.5
267.19348	0.4
274.04736	0.9
285.03860	1.8
303.05008	100.0
304.05383	2.5
317.08514	0.6
321.07608	1.0
322.08524	0.4
333.07614	0.5
347.08994	0.8
349.07141	0.7
351.08456	0.7
375.08633	0.9
401.09567	0.4
403.08258	0.4
419.10812	0.5
447.10889	2.6
459.69595	0.3
465.11661	4.0
465.17316	0.7
479.69202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	4.9
58.40170	1.0
58.53108	0.9
59.04984	1.6
67.05468	1.5
69.03432	16.5
70.06586	2.9
71.55035	2.1
73.02901	5.1
79.05469	1.5
81.03428	1.6
81.07052	2.4
84.04505	2.4
85.02907	13.2
86.09695	3.0
87.04474	11.2
91.05494	1.4
97.02898	19.3
105.06982	1.1
114.06123	1.3
114.48727	1.2
115.03935	20.8
116.07103	3.2
120.08109	2.1
121.02870	14.2
122.09621	1.0
127.03893	3.4
128.07068	1.3
133.04971	19.0
145.04985	3.4
151.03931	1.6
153.01808	5.8
153.05466	20.6
156.06532	2.5
158.02693	4.0
166.08517	1.3
167.07071	2.1
176.03831	1.5
187.00020	1.3
203.03287	1.5
210.11819	1.1
218.01952	1.2
233.06046	1.1
273.12613	7.2
301.06888	1.5
302.07278	1.8
303.05005	100.0
308.45270	1.1
311.10385	1.4
317.15369	1.8
322.07993	1.3
345.06168	1.6
446.09476	1.9
464.10324	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1034
Annotation	Isoquercitrin
Peak:m/z	Relative Intensity
50.17823	1.1
52.39140	1.1
55.01876	3.1
55.25652	0.9
56.96558	1.4
57.03430	3.5
58.99614	1.1
67.05496	2.2
68.99821	1.4
69.03432	2.9
70.05654	4.1
70.06591	1.7
71.04994	2.7
76.02216	1.4
78.06289	1.1
79.01853	3.4
81.03428	2.4
81.07061	3.7
82.06577	1.8
82.29398	1.4
83.04993	1.3
84.04533	2.7
84.08134	1.4
85.02911	13.2
85.06531	1.2
86.09679	1.7
91.05515	3.1
94.06585	1.9
95.04984	2.0
97.02879	2.0
98.97601	2.0
105.03401	2.2
105.07060	1.7
107.04970	1.4
109.02923	2.5
110.06112	1.7
121.06554	1.6
121.10172	1.4
122.06039	2.3
123.04453	2.8
125.02400	2.6
125.03323	1.0
127.03901	2.1
128.07039	1.3
129.07352	1.4
132.01105	1.7
133.02885	8.6
135.04425	1.9
137.02339	2.1
138.03149	1.8
145.04971	1.3
147.04379	1.8
149.02388	2.8
150.03185	4.0
151.03908	16.7
153.01860	18.2
156.06546	2.7
157.06929	1.6
158.02705	3.1
163.03897	4.3
165.01863	7.7
165.05563	1.3
167.03415	9.0
171.02861	1.4
172.08699	1.4
174.05478	1.6
174.09459	1.6
176.03726	1.3
177.01826	7.2
177.05508	1.4
179.03409	8.5
183.02950	2.9
187.03987	1.6
187.07481	1.7
191.03397	2.7
195.02939	15.9
204.06593	1.3
205.04985	7.1
207.02846	1.9
216.07768	2.4
217.04994	7.8
219.02982	3.1
231.06490	1.4
233.04417	1.3
241.05060	1.5
243.02992	3.4
243.08830	17.6
244.09543	10.0
245.04539	3.4
255.11273	2.1
257.10269	1.4
257.12909	1.7
259.06155	3.5
261.03989	4.0
263.65964	1.2
270.05371	1.4
273.12701	4.9
274.13095	8.9
275.05664	1.4
285.03973	1.5
285.07489	1.3
285.12292	1.3
287.05530	2.7
288.06314	2.2
299.05545	3.5
299.13913	1.5
302.04202	2.4
303.05130	14.0
303.08780	3.5
303.11996	23.6
315.05008	84.3
315.13275	4.1
316.05786	39.1
317.06570	1.7
327.05060	15.3
329.06546	18.2
337.67651	1.1
341.06686	5.4
343.04379	3.1
345.06076	100.0
346.06345	2.3
353.06503	1.7
355.04306	2.5
355.08139	17.8
357.06079	5.9
359.07468	1.7
369.06082	24.0
370.26740	1.6
375.07178	8.3
378.15369	10.4
379.16177	4.7
381.05957	2.6
383.07645	5.1
387.06897	1.9
393.06146	1.8
399.07144	19.3
399.15408	2.5
411.07159	10.1
429.08237	37.5
429.16809	4.9
447.09229	58.3
447.17938	9.7
448.09476	2.6
465.10272	84.4
465.17456	42.3
466.10632	3.2
466.16949	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	9.2
57.87958	1.0
67.05495	4.5
69.07058	3.5
69.48236	7.3
73.28950	1.2
79.05499	3.5
81.07056	5.0
83.08610	1.4
91.05482	2.9
93.07049	4.2
95.04969	1.1
107.08608	1.8
115.25208	1.2
116.98618	1.0
119.62755	1.0
121.10139	1.4
131.08575	1.5
149.13275	1.1
171.43596	1.0
179.00220	1.4
185.01291	2.8
191.00192	9.0
197.01283	1.4
203.00262	2.1
203.02159	1.3
209.01228	18.9
213.00702	1.5
218.99626	1.2
221.01270	4.4
222.37294	1.1
224.27814	1.1
227.02277	8.1
232.02939	1.7
237.00543	1.4
239.46574	1.1
250.01616	1.7
262.98700	4.1
270.01962	1.2
271.02850	1.8
277.01651	1.2
279.03342	2.5
280.99609	1.4
284.03677	1.5
285.04214	1.8
287.02341	1.9
289.07416	1.4
295.02725	6.5
297.04291	5.1
301.03732	1.8
302.04544	1.6
307.02634	9.9
308.03619	1.5
312.03064	3.0
313.03873	17.3
313.07315	1.1
315.05453	3.4
321.07932	2.2
324.03650	1.2
325.03833	55.0
326.04639	3.5
329.03342	1.4
331.04929	11.7
335.05704	1.1
339.09204	2.0
343.04929	17.2
348.05524	4.8
349.05923	1.2
361.06229	1.3
363.09036	25.6
381.10132	58.3
382.10446	1.8
399.11188	100.0
400.11414	2.8
404.11868	6.6
417.12274	25.9
422.12805	10.0
423.10974	4.8
441.12207	9.9
443.40503	1.1
464.13702	1.5
464.30911	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	464.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84801	0.8
55.05507	2.6
56.96574	12.8
57.03438	1.4
59.64446	0.8
61.02906	0.9
67.05505	8.0
68.05846	1.0
68.36987	0.8
69.07051	2.8
70.94250	0.8
76.44935	0.7
77.00750	0.9
78.12914	0.8
79.05489	5.5
79.49715	0.8
80.05843	0.8
81.07063	8.9
82.07403	1.2
82.43537	0.9
83.08625	1.2
84.08952	0.9
91.05495	4.8
93.07050	5.8
94.07379	1.1
95.08599	2.2
97.06576	1.5
97.10168	0.8
105.07018	3.1
107.08585	2.3
115.85843	0.8
117.07022	1.2
119.08568	1.8
121.10147	2.3
131.08578	1.7
133.10156	2.2
135.11713	1.1
149.02388	1.2
149.13274	2.5
150.13625	2.1
159.11690	1.9
191.00240	1.2
195.03297	2.1
196.14128	1.1
203.00165	8.6
208.00468	1.0
209.01215	1.4
213.04289	2.3
218.99768	1.0
221.01234	10.7
237.00740	3.1
257.05057	1.2
259.06378	1.8
277.07571	8.3
279.03271	1.8
281.07117	1.8
283.02753	1.1
294.01831	1.3
295.08548	7.5
297.04315	2.4
298.05203	1.4
301.03845	3.2
307.02844	2.5
311.02097	1.1
312.03107	3.4
313.03790	2.7
315.05463	1.7
319.04779	1.1
322.01532	1.5
325.03867	7.2
325.14493	1.1
326.00925	1.6
329.03360	7.0
330.04153	12.5
331.04788	3.1
339.08994	2.1
340.02670	1.8
343.04907	6.1
347.04346	1.7
348.05133	4.2
357.10110	3.0
361.05911	1.8
363.08881	9.3
367.05197	1.1
372.26004	1.2
381.05594	1.6
381.10123	23.1
399.11194	100.0
400.11478	2.3
404.11530	5.0
417.12189	23.7
422.12830	10.0
423.11157	7.0
441.06183	1.4
441.12369	8.9
445.14343	1.5
446.29797	1.8
463.30316	1.0
464.13690	1.1
464.31216	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	463.3787
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03937	1.4
55.05307	1.2
55.05518	12.7
57.07082	28.5
64.76330	1.0
67.05512	5.1
69.07074	23.7
69.18658	2.9
69.19061	7.8
71.08640	22.3
79.05499	4.4
81.07068	16.7
83.01335	1.5
83.08635	13.5
85.10190	13.3
91.05475	3.7
93.07063	6.2
95.04987	2.1
95.08618	14.9
97.02901	1.4
97.06521	3.0
97.10188	10.5
98.20846	3.8
99.04451	5.3
101.46069	1.3
105.07063	5.1
107.04940	1.2
107.08606	4.8
109.06529	14.7
109.10158	8.1
111.08083	3.1
111.11731	5.7
119.08587	3.5
121.06554	1.8
121.10118	6.0
123.08076	10.8
123.11698	3.8
125.06007	12.6
125.09584	1.2
125.13349	1.3
127.06628	2.1
127.07567	40.0
131.08597	2.2
133.10194	2.1
135.08051	2.8
135.11713	1.4
137.05992	5.6
137.09634	4.0
137.13283	1.8
139.07555	100.0
145.10170	1.6
147.11725	2.4
149.05991	4.1
149.09645	3.0
151.07523	5.9
151.14804	1.4
161.13206	2.1
163.07547	2.6
165.09117	2.3
167.07054	4.3
171.11768	1.2
175.11214	1.9
175.14833	2.7
177.09117	13.1
179.10725	1.3
189.09058	1.1
203.14273	1.3
207.13988	1.3
211.00485	1.1
297.05234	1.2
301.28906	4.4
319.29993	11.2
335.29468	1.1
347.33151	15.2
373.31030	4.6
375.36209	2.1
389.37891	1.5
399.36295	2.6
403.35406	2.3
417.37234	16.9
427.35794	3.5
445.36826	37.9
446.36932	1.3
463.31793	1.8
463.37921	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3781
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05515	13.6
57.07077	33.7
63.17365	1.9
67.05490	8.1
69.07079	26.1
71.08639	28.3
71.55515	3.6
79.05480	5.9
81.07054	21.2
83.08641	16.7
85.10175	12.9
87.62875	1.9
91.05476	6.5
93.07040	7.6
95.08617	20.2
95.85336	2.0
97.02898	3.1
97.06557	3.4
97.10180	11.2
97.10713	2.0
99.04446	5.4
100.64550	2.1
105.07033	8.2
107.08593	5.8
109.06523	14.9
109.10168	8.1
111.08082	3.2
111.11700	6.8
119.08556	4.6
121.06471	2.6
121.10147	5.4
123.08085	13.1
123.11674	3.7
125.06026	15.9
127.07578	39.9
133.10135	4.8
135.08031	3.1
137.05978	8.8
137.09616	2.6
139.07553	100.0
145.10059	3.5
147.11707	3.7
149.05991	5.1
149.09657	3.5
149.13284	4.1
151.07526	8.4
155.60982	2.3
159.11737	2.5
163.07600	2.2
165.09155	3.0
167.07042	4.4
175.11183	3.7
177.09145	12.5
193.12291	2.7
203.14284	2.4
221.15263	2.4
249.14813	3.4
301.28769	6.8
319.29910	8.1
347.33170	12.8
373.31000	2.8
375.28830	2.2
399.36230	5.9
403.35620	2.8
417.37399	18.9
427.35620	5.8
445.36850	61.7
463.37949	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	463.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.0
55.05511	8.4
57.07081	15.1
61.73035	1.2
67.05505	3.4
68.94822	1.2
69.03437	1.4
69.07073	13.4
70.99643	2.8
71.08641	12.7
72.67305	1.2
79.05506	5.1
81.07061	6.0
83.08636	11.1
85.10181	7.1
91.05511	1.7
93.04349	1.2
95.04996	2.9
95.08607	3.4
97.02916	4.9
97.10173	6.9
105.03402	5.1
107.04967	8.4
107.08611	2.1
109.02886	7.4
109.06528	1.6
109.10229	1.6
111.11747	3.6
119.08610	1.4
121.02889	1.9
121.06493	2.1
123.04434	2.8
125.02353	18.0
125.13304	1.5
131.08488	1.5
133.02870	5.5
135.04417	13.0
137.05989	2.9
143.08601	1.5
145.10124	1.6
147.08044	1.9
151.03912	15.7
153.05501	7.1
161.02361	11.4
161.09636	1.8
165.05476	1.8
167.03462	3.1
175.07567	1.7
179.03395	17.6
181.70132	1.2
185.04430	7.9
191.10556	1.2
193.04987	1.7
193.08665	1.4
197.04472	100.0
207.10167	1.7
211.05998	6.2
225.07617	5.0
239.09224	3.9
253.10773	5.4
267.12326	5.0
281.13815	3.6
295.15439	2.5
299.73773	1.5
301.18216	1.2
309.17029	4.8
323.18689	3.8
331.22675	1.3
337.20163	4.3
351.21756	3.4
365.23270	2.7
379.24667	1.3
393.26309	2.6
407.27902	3.2
417.33572	1.6
463.34244	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	463.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01881	5.7
55.05307	0.7
55.05516	8.0
57.07079	14.7
66.83770	0.7
67.05511	4.2
68.87856	0.6
69.07072	17.7
70.73004	1.8
71.08641	12.3
79.05498	5.7
81.03433	1.8
81.07074	5.7
83.08630	9.5
84.97820	0.8
85.10186	6.5
89.06014	1.0
91.05484	1.9
93.07039	2.6
95.04948	2.3
95.08602	4.7
97.02874	5.3
97.06506	0.8
97.10184	8.1
99.04453	2.0
99.11758	0.9
105.03400	4.2
105.07015	2.7
107.04968	9.5
107.08603	1.6
109.02886	8.5
109.06504	1.6
109.10146	2.4
111.04436	1.4
111.11692	3.8
115.03941	1.8
117.07057	0.8
119.08543	1.6
121.02886	1.7
121.06516	1.6
123.04452	4.8
123.08115	1.1
123.11685	1.4
125.02360	19.1
125.05967	1.7
125.13279	1.2
128.60667	0.7
133.02856	6.9
133.10127	1.5
135.04431	15.0
135.08043	1.0
135.11658	1.2
137.05971	2.8
139.03903	1.2
139.07521	0.8
141.05510	0.8
143.08574	1.1
147.08037	1.6
149.06085	0.7
149.09621	2.1
151.02733	1.3
151.03915	19.3
153.05461	5.4
161.02344	12.3
161.06033	1.2
161.09616	1.3
163.07567	1.3
165.05486	2.2
167.03389	3.5
167.07059	0.9
169.04980	1.4
175.07544	1.3
177.09135	1.3
179.03401	19.3
179.07057	1.3
181.04977	1.0
185.04468	7.3
189.09140	1.7
191.10703	1.2
193.04944	1.7
193.08629	1.3
197.04466	100.0
200.98886	0.6
203.10652	1.4
207.06520	1.0
211.06046	6.9
221.07983	1.1
221.11803	0.8
225.07620	3.5
236.54863	0.8
238.07097	2.2
239.09187	3.6
253.10706	6.2
267.12274	5.4
277.17969	0.9
281.13907	3.4
295.15445	2.0
309.16928	3.1
319.19165	0.8
323.18628	4.4
337.20111	3.7
351.21622	2.5
365.23340	2.1
379.24728	2.6
393.26450	1.5
403.35739	2.7
407.27844	2.9
417.33868	2.0
431.35010	1.4
445.33276	1.0
463.34100	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	463.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76071	1.2
51.02400	1.9
53.03947	5.8
55.01874	5.3
55.05515	18.7
56.96575	2.7
57.02528	1.0
57.03445	8.4
57.07084	2.0
61.02971	1.3
65.03657	1.0
65.03960	4.7
66.56908	1.0
66.74208	1.0
67.05510	82.7
69.03465	3.5
69.07072	30.1
69.19521	11.7
70.11299	1.0
71.01398	1.1
71.05006	6.4
73.02922	1.3
77.03897	1.0
79.05500	49.2
81.03425	16.8
81.07063	100.0
83.04991	9.2
83.08628	17.4
85.02949	1.8
85.06526	5.2
91.05486	35.1
93.07052	73.9
95.04974	12.7
95.08613	25.3
97.02947	2.1
97.06549	14.0
97.10238	3.3
98.20785	2.1
99.04472	1.3
99.08153	3.6
105.04595	1.8
105.07050	18.6
105.07690	1.7
107.05029	4.3
107.08604	45.9
109.06529	5.8
109.10152	15.8
110.54723	1.2
111.08083	8.8
115.05481	1.8
117.07026	14.3
119.08611	8.2
121.06569	3.2
121.10135	20.0
123.08152	1.5
123.11697	5.5
125.09642	1.8
127.04035	1.0
127.07615	1.5
128.06235	1.2
129.07062	2.9
131.08569	15.8
131.09486	1.1
133.10144	22.9
135.08167	2.9
135.11705	11.2
139.11240	1.8
143.08615	2.5
145.08907	1.1
145.10229	3.6
147.11760	3.3
149.09692	2.5
149.13274	37.0
151.11192	8.1
157.10268	3.2
159.11699	17.6
163.11212	2.4
167.14439	1.9
169.10258	1.5
169.12375	2.2
171.11794	1.3
177.12787	8.2
185.16624	1.2
193.12230	5.3
194.24788	1.1
195.13814	15.3
200.88142	1.0
213.15033	2.9
227.12926	2.2
228.45978	1.6
253.14362	7.4
269.17755	1.1
301.07388	4.2
353.25076	1.4
367.18390	1.5
371.26328	3.1
381.19730	1.8
389.27048	2.5
445.30374	2.8
463.17206	2.0
463.30939	63.1
463.71399	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.3
53.03940	8.5
55.01864	8.8
55.05514	19.2
56.96561	8.4
57.03426	7.1
61.02914	7.4
65.03960	4.0
65.04305	1.9
67.05511	71.5
69.03438	13.9
69.07059	15.3
70.05839	6.2
71.05008	11.3
73.02924	4.4
75.48989	1.9
79.05495	42.6
81.03425	99.6
81.07066	62.9
82.07391	2.6
83.04989	14.8
83.08209	2.1
83.08643	19.9
84.08954	2.6
85.02914	6.8
85.06557	10.4
91.03953	4.9
91.05487	70.7
92.05823	3.4
93.07054	31.8
95.04379	2.3
95.04980	39.8
95.08621	17.6
97.02908	13.2
97.06516	8.4
97.10175	6.7
98.20842	3.8
98.97611	3.9
99.04450	4.3
100.94847	2.0
105.07046	53.6
107.04939	9.4
107.08607	47.2
109.02895	2.9
109.06523	9.4
109.10165	75.5
110.97550	2.7
111.04428	3.6
111.08070	9.2
113.05968	4.5
116.98631	2.3
117.07006	7.7
119.04955	2.4
119.08582	16.4
121.06509	8.8
121.10153	8.0
123.04451	5.0
123.08045	5.1
123.11701	9.3
125.09616	5.8
127.03925	3.3
127.07545	4.3
128.98619	3.7
129.07018	12.1
131.08577	15.6
133.06514	5.1
133.10136	100.0
135.08087	3.6
135.11708	7.8
137.09610	4.7
138.81801	2.0
142.07745	2.2
145.10112	5.5
147.11702	7.6
149.09607	7.0
149.13237	2.4
151.11201	59.5
153.09152	2.6
155.08601	2.6
157.10182	10.9
159.11682	2.4
160.45647	1.9
161.09644	3.9
163.11186	5.8
165.12752	2.5
169.12222	14.4
175.11179	8.1
179.10667	3.0
183.11604	2.0
193.12250	35.8
215.12769	6.6
219.13805	5.1
227.12807	5.7
229.13969	2.5
249.14926	5.9
253.14372	50.3
257.10580	3.6
267.09012	8.0
267.15900	2.8
268.09271	3.5
269.10492	5.1
270.10950	3.4
285.10110	5.1
286.04666	2.6
287.11612	4.0
301.07071	7.8
301.13202	6.9
302.13455	3.8
316.62036	4.2
317.12457	3.4
343.22495	2.7
371.22104	7.2
389.23203	5.1
445.25375	10.4
463.26752	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	463.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.4
55.01857	7.4
55.05513	31.1
56.96554	5.2
57.03418	8.6
57.07079	3.7
61.02925	5.3
65.03931	7.3
66.04739	2.3
66.22794	2.2
67.05506	100.0
69.03419	5.4
69.07072	34.5
71.04981	6.4
71.55431	4.2
73.02921	2.8
79.05497	71.9
81.03416	8.4
81.07059	95.3
83.04980	6.6
83.08611	17.8
85.02908	6.6
85.06527	6.4
91.04902	3.9
91.05481	81.6
93.07043	75.9
95.04958	11.1
95.08610	47.9
97.02905	6.0
97.06553	14.8
97.10165	7.1
99.08081	3.4
103.05454	4.6
105.04530	2.8
105.07035	75.2
107.04949	9.7
107.08599	44.2
109.06511	9.2
109.10159	17.8
111.08113	5.6
115.05459	6.1
117.07020	38.8
119.08580	44.1
121.06492	9.0
121.10154	25.2
123.08118	4.5
125.09618	3.5
128.06236	5.5
129.07027	22.5
131.08575	55.0
133.06485	4.4
133.09229	3.6
133.10147	30.6
135.08081	8.1
135.11705	13.3
137.09579	5.1
141.06984	8.5
142.07799	3.3
143.08556	24.2
145.06496	3.8
145.10107	29.4
147.08092	2.7
147.11700	10.2
149.09665	5.7
149.13264	16.8
155.08569	10.7
157.10204	15.5
159.08072	4.2
159.11691	21.1
167.08566	6.2
169.10123	9.7
171.11700	12.9
173.09586	2.5
173.13246	6.4
175.11200	3.7
177.12897	4.9
181.10080	7.2
183.11679	10.3
185.09593	3.1
185.13255	7.5
187.11105	2.8
187.14804	5.7
195.11821	5.0
195.13789	8.4
197.13287	7.7
199.14769	3.8
209.13258	5.9
211.14827	3.5
222.65417	2.6
223.14902	5.0
233.15515	5.7
247.17145	3.5
261.18359	3.5
267.09186	3.0
269.10684	2.6
275.20102	3.1
301.07153	5.9
325.25195	4.9
335.23776	7.6
343.26257	15.0
353.24792	30.2
361.26938	2.7
371.25787	46.8
389.26816	39.5
427.28369	5.6
445.29324	56.8
463.16693	3.9
463.30997	50.4
467.15372	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	463.1243
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
53.03954	0.5
54.02808	0.2
54.91504	0.2
55.01863	0.6
55.05508	0.5
55.17973	0.2
56.96563	0.9
57.03433	0.8
57.07074	0.3
61.02929	1.1
65.03937	0.3
67.01848	0.4
67.05505	0.9
68.99817	0.7
69.03438	2.7
69.07072	0.7
69.60892	1.3
70.95846	0.2
71.04985	0.6
73.02919	0.7
73.66987	0.2
79.05494	0.9
81.03426	1.8
81.07068	1.6
83.04995	0.2
83.08617	0.5
84.08140	0.4
85.02429	0.4
85.02913	5.6
85.06545	0.4
85.18177	0.2
91.03980	0.3
91.05475	1.2
93.07062	0.9
95.04970	0.7
95.08628	1.0
97.02885	1.7
98.20711	0.2
98.97597	0.7
99.04505	0.5
105.03408	0.9
105.07015	1.1
107.04950	1.3
107.08611	0.7
109.02901	0.8
109.06519	0.3
109.10168	0.9
111.04459	0.6
111.08066	0.4
115.05450	0.3
116.98640	0.2
117.07020	0.5
119.04916	0.3
119.08548	0.7
121.06496	0.3
121.10162	0.6
123.04472	1.3
123.11761	0.3
125.09621	0.3
125.66498	0.2
127.03912	1.1
128.06346	0.2
131.08557	0.3
133.02892	0.3
133.10146	0.5
135.04396	0.4
135.11769	0.4
137.02356	0.4
137.05971	0.8
139.03938	0.8
139.11226	0.2
144.10074	0.2
145.04993	0.5
145.06512	0.2
147.04408	0.3
147.08054	0.6
147.11732	0.4
149.02339	0.4
151.03899	0.9
151.07532	0.4
153.01903	0.2
157.10159	0.3
158.99651	0.3
160.05223	0.3
161.02344	2.8
161.05995	0.8
161.09592	0.3
163.03889	1.5
163.11159	0.3
164.04669	0.3
167.03407	10.6
167.07065	0.6
171.04491	1.1
174.06773	0.2
175.03960	0.7
175.07602	1.4
175.11162	0.3
177.05539	0.3
185.04526	0.3
185.06049	0.4
188.04671	0.7
189.09122	0.3
191.03566	0.2
203.07057	5.0
216.04196	1.2
217.08624	0.9
219.06561	0.3
227.06975	1.0
230.05769	0.6
231.06544	17.7
232.07123	0.4
233.08153	0.3
240.04227	0.7
241.07516	0.7
243.05650	0.2
245.08142	4.0
255.06421	1.0
258.05307	1.3
259.06042	1.7
259.08594	1.0
267.09039	1.0
267.15891	0.4
268.03714	0.3
273.07584	1.9
283.06104	1.4
283.10913	0.4
285.09995	1.2
286.04745	3.0
299.05490	0.4
299.11584	0.5
300.05850	0.7
301.07083	100.0
302.07498	2.4
309.07608	1.0
311.10718	0.7
313.07086	0.5
315.11099	0.3
317.12726	0.4
324.11490	0.3
325.07123	0.3
335.14746	0.2
340.12753	0.3
343.08163	0.8
367.08005	0.2
384.50522	0.2
416.17331	0.3
420.17038	0.2
427.10699	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1239
Annotation	Kaempferol 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
53.67693	0.3
61.02921	0.2
68.99776	0.7
69.03425	0.4
69.07051	0.3
69.64487	1.1
69.64899	0.4
70.06612	0.3
73.99308	0.2
76.47840	0.3
85.02893	0.8
89.03928	0.3
91.05472	0.5
98.20787	0.5
99.63349	0.2
103.05499	0.3
107.08656	0.3
121.02870	0.6
123.00788	0.4
124.01582	0.7
131.04927	1.5
134.03662	2.8
137.02335	0.4
146.06027	6.1
147.04384	0.5
149.02356	0.5
149.06152	0.2
152.01073	0.8
153.01840	8.6
157.06502	0.5
163.03947	0.3
170.02103	0.8
171.04474	0.3
185.06041	0.4
197.06082	0.5
199.03891	0.8
201.05368	0.3
202.06331	0.6
205.04733	0.7
213.05499	2.8
217.05016	0.3
229.04970	5.3
230.05765	2.6
230.07956	0.6
241.04964	10.4
242.05501	0.3
242.08124	0.6
245.08131	0.8
258.05225	1.1
260.09070	0.5
269.04465	14.2
270.04855	0.5
273.07587	0.5
278.10193	0.3
285.03955	1.3
286.04703	16.7
287.04977	0.5
301.07077	100.0
302.07382	2.3
322.09207	0.8
366.96399	0.3
463.16263	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1233
Annotation	Luteorin 5-methyl ether 3'-glucoside
Peak:m/z	Relative Intensity
50.00862	0.2
53.53352	0.3
54.00037	0.2
55.01862	0.6
56.96567	0.3
57.03431	0.5
63.16784	0.3
65.03929	0.3
65.23733	0.2
66.15494	0.3
67.05503	0.5
69.03435	0.7
69.44834	0.7
69.45259	1.5
70.06579	0.9
81.03419	0.6
81.07037	0.3
84.04491	0.7
84.08121	0.8
85.02908	1.4
86.09702	0.5
89.03925	0.3
91.05492	0.7
94.57568	0.3
95.04967	0.4
97.02911	0.4
98.97573	0.3
105.03384	0.7
105.06949	0.4
107.04986	1.5
111.04440	0.4
117.06913	0.4
119.04940	0.9
121.02882	3.7
123.04500	0.3
133.02861	0.4
134.03636	0.4
135.04404	0.9
137.02353	11.8
137.03400	0.6
137.06006	0.5
138.02733	0.3
139.03889	0.8
145.02899	0.3
146.06018	4.5
147.04433	1.0
149.02454	0.3
150.03174	1.3
157.05264	0.4
157.06461	2.1
163.03934	0.6
167.03409	0.5
169.06497	0.4
171.04362	0.5
173.06027	0.3
175.03912	0.8
185.06020	1.0
187.03947	1.8
188.04713	1.3
189.01900	0.5
189.05479	2.7
190.02490	0.5
191.03433	0.7
192.04102	0.4
193.04939	0.6
193.06485	0.3
197.05981	3.1
199.03940	1.0
201.05594	0.7
203.03398	3.9
205.04903	0.4
207.02922	0.7
212.04703	1.0
213.05476	18.7
214.05878	0.4
215.03397	0.8
215.07092	0.4
216.04161	0.8
217.05002	1.0
221.04503	0.8
225.05482	1.5
227.03369	0.5
227.07004	0.5
229.04909	0.6
231.02875	0.4
231.06520	1.4
240.04138	0.4
241.04968	14.3
242.05728	0.4
242.08174	1.2
243.06577	1.0
245.04311	0.3
245.08231	1.8
247.02357	0.4
253.05035	0.7
255.06520	1.0
257.04514	0.5
258.05209	0.6
268.03683	1.4
269.01584	0.3
269.04480	6.6
273.04248	0.3
273.07553	1.0
273.12711	1.2
275.07129	0.5
275.49142	0.3
278.10294	0.3
279.06540	0.9
281.04507	0.4
283.05917	0.7
285.04013	0.6
286.04669	8.9
286.07141	0.7
287.05084	0.5
293.08197	0.7
295.06033	1.1
300.05978	0.3
301.07086	100.0
302.07312	2.1
304.07864	0.6
307.05966	1.5
308.06738	1.3
309.07535	0.9
312.05374	0.7
317.08313	0.6
321.07605	6.5
322.08554	1.8
324.06039	0.5
325.06497	1.3
333.07697	1.0
335.05685	0.4
335.09351	1.1
336.06308	0.5
337.06985	0.6
345.07632	0.4
346.08459	0.4
347.09088	1.1
349.07062	5.3
350.07684	0.7
351.08694	1.4
353.06683	0.4
355.07162	1.3
361.06964	1.0
361.10785	2.5
371.09518	0.4
373.07538	0.6
375.04608	0.4
375.08643	0.9
379.08023	1.1
387.08640	1.3
389.10367	2.5
399.08960	0.4
403.08136	1.0
405.09564	0.6
409.08368	1.0
415.08221	1.5
417.09729	2.4
427.08875	1.0
427.14502	0.7
433.09094	0.8
435.10931	1.7
440.97299	0.3
445.09476	4.5
445.15564	0.4
463.10242	15.4
463.17691	4.8
464.10730	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1241
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
53.03944	0.4
55.01862	0.8
55.05516	0.6
56.96559	0.9
57.03426	1.0
59.05002	0.3
61.02917	1.2
67.01870	0.3
67.05501	1.2
68.99800	0.7
69.03437	3.4
69.07079	0.6
71.05006	0.5
71.06210	0.4
71.06577	0.6
73.02901	0.8
79.05486	1.1
81.03427	2.0
81.07072	1.9
83.04981	0.5
83.08617	0.5
83.46348	0.3
85.02434	0.4
85.02911	5.1
85.06541	0.3
87.04458	0.5
91.05469	1.1
93.07058	1.6
95.04968	0.3
95.08593	1.1
97.02901	2.6
98.97609	1.7
99.04475	0.7
105.03397	1.0
105.07025	0.7
107.04942	1.0
107.08578	0.6
109.02869	0.8
109.06479	0.4
109.10161	1.1
111.04459	0.6
115.03920	0.3
115.05447	0.4
117.06982	0.4
119.08591	0.8
121.06470	0.3
121.10135	0.7
121.62422	0.2
123.04417	0.6
123.11703	0.3
127.03922	1.5
127.11227	0.4
128.98627	0.4
131.08534	0.3
133.10107	0.6
135.04410	0.9
135.11710	0.4
137.02348	0.4
137.05977	0.5
139.03899	0.3
144.34442	0.3
145.04955	0.5
145.10107	0.4
147.08057	0.6
147.11687	0.5
149.02301	0.3
157.10217	0.3
158.99631	0.4
161.02362	2.7
161.05980	1.1
161.09547	0.3
163.03889	1.2
163.11240	0.4
167.03418	11.1
167.07076	0.3
171.04405	0.9
175.03941	0.8
175.07570	1.0
179.22044	0.2
184.05284	0.3
185.06023	0.7
188.04576	0.3
189.09113	0.6
193.12201	0.3
203.07059	4.4
216.04187	1.1
217.08664	0.7
219.01720	0.4
219.06628	0.5
219.13802	0.5
227.06963	0.8
231.06543	17.6
232.06798	0.3
233.08122	0.6
237.02821	0.3
240.04100	0.6
243.08960	0.3
245.08092	4.4
255.06610	0.9
258.02829	0.3
258.05325	0.9
259.06064	1.6
259.08371	0.3
267.09021	1.3
273.07541	1.4
283.05856	1.5
285.10062	1.3
286.04651	1.6
301.07086	100.0
302.07349	2.1
315.11035	0.3
324.11411	1.1
324.61682	0.4
330.16812	0.5
331.14133	0.4
339.17459	0.7
343.08112	0.6
349.15527	0.6
463.18341	1.3
463.26093	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1238
Annotation	Kaempferide 3-glucoside
Peak:m/z	Relative Intensity
55.24067	0.2
57.60220	0.2
67.60914	0.2
70.79274	0.4
70.79630	0.5
116.04910	0.2
131.67686	0.3
136.41008	0.2
146.91861	0.2
153.01878	0.5
187.87395	0.2
194.45139	0.2
198.51469	0.2
204.82286	0.2
258.05258	15.7
259.05472	0.4
286.04745	36.6
287.05072	0.9
301.07092	100.0
302.07428	1.7
463.12302	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1239
Annotation	Isoscoparine
Peak:m/z	Relative Intensity
53.14930	1.2
63.81499	1.3
69.65907	8.4
71.39678	1.3
74.78501	1.5
76.08611	1.3
76.74486	1.2
77.50456	1.4
85.02927	2.3
97.06548	1.6
98.20699	1.6
137.02374	8.1
141.01952	1.5
151.03903	13.7
153.01854	3.4
165.01874	5.1
175.03920	2.2
177.01872	2.7
191.03467	1.9
213.05391	1.9
217.05040	6.9
241.05075	1.8
243.02898	3.9
243.06638	5.0
259.06039	1.9
261.04041	1.7
269.04562	1.8
270.05325	4.1
271.06046	3.8
272.06863	4.5
279.42365	1.2
282.05118	2.4
283.06140	2.6
284.06848	4.3
285.07581	3.8
286.04803	6.2
286.08401	5.2
295.06204	1.6
296.06848	5.3
298.04727	19.7
298.07846	1.9
299.05389	3.6
300.06204	9.8
301.07095	30.8
301.10202	2.4
310.04776	6.5
310.08444	5.0
311.05637	9.3
311.08868	2.1
312.06311	8.6
313.07062	77.2
314.07797	24.5
315.08328	1.5
324.06424	6.2
325.07129	12.3
327.08630	13.4
328.05789	20.3
337.07306	1.6
338.07837	9.9
339.08804	4.4
341.06754	2.9
343.08142	100.0
344.08539	3.8
349.07043	2.3
352.05807	4.0
353.06400	1.9
353.10187	16.9
355.08112	4.9
367.08176	26.5
373.09232	8.8
379.08231	3.0
381.09845	5.1
397.09140	17.8
409.09125	14.6
427.10309	34.8
445.11331	52.8
463.12411	75.4
464.12717	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	462.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68790	0.2
55.01881	0.4
65.03941	1.3
69.19112	2.1
74.75628	0.2
78.03476	1.4
80.05021	0.3
84.04500	0.3
86.09718	0.8
91.05490	13.9
96.04482	0.4
106.02941	3.2
107.04923	0.2
119.04957	28.6
119.48538	0.2
120.05282	0.4
124.03047	0.4
124.03970	7.8
138.03786	0.3
145.02852	0.3
147.04424	100.0
148.04755	1.2
166.03290	0.5
173.12943	0.2
177.05441	0.8
216.07011	0.2
232.62888	0.2
283.07410	0.6
285.58371	0.2
289.15881	0.2
297.08942	0.3
298.05759	0.2
315.10138	0.8
316.06610	0.5
339.07025	0.2
361.07037	0.3
367.56622	0.2
379.07819	0.2
415.07965	0.3
445.08994	0.6
462.10034	1.0
463.09769	0.4
480.63074	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.124
Annotation	Scutellarein 7-methyl ether 6-galactoside
Peak:m/z	Relative Intensity
55.05515	1.8
56.96553	0.5
57.03437	0.4
57.07060	0.4
64.69125	0.3
67.05476	0.4
68.99792	0.6
69.03417	0.5
69.07039	0.4
70.06593	1.0
71.04985	0.5
81.03441	0.7
81.07066	0.7
81.63436	0.3
82.06534	0.3
83.08620	1.0
85.02905	1.1
86.09721	0.6
91.05487	0.8
93.07077	0.4
97.02897	0.6
97.06544	0.3
100.07658	0.3
100.11261	4.4
101.11599	0.5
107.04958	0.7
107.08569	0.6
109.02854	0.4
111.04443	0.7
119.04941	0.7
121.02861	1.4
121.10132	0.6
123.04456	0.3
129.41507	0.3
134.03648	2.6
137.05991	0.5
139.91489	0.4
145.02856	0.3
145.06444	0.5
147.04410	0.8
149.02353	0.8
151.03900	0.6
152.01048	1.0
153.01828	7.8
157.06519	0.5
162.42480	0.4
165.01790	0.5
170.02151	0.6
171.04451	0.4
173.06041	0.3
175.03885	0.5
182.15404	1.1
187.03835	0.6
197.06062	0.4
199.03905	0.6
201.05539	0.4
202.06305	0.6
203.03406	1.6
209.16583	0.6
210.14934	1.7
211.15128	0.3
212.04568	0.4
213.05495	3.1
215.07109	0.4
217.05005	0.5
225.05525	0.3
227.17615	0.4
228.15849	0.4
229.04973	4.8
230.05775	2.8
241.04987	10.1
243.03027	0.3
243.06630	0.5
245.04616	0.4
245.08142	0.7
257.04550	0.4
258.05228	1.6
269.04459	13.3
270.04956	0.4
273.07788	0.6
281.08136	0.4
283.06085	0.5
285.04086	1.7
286.04742	18.3
293.08194	0.6
295.09586	0.6
296.06970	0.4
298.04843	1.1
300.06299	0.5
301.07086	100.0
302.07373	2.2
307.05905	0.9
308.06714	0.9
309.07687	0.9
311.05682	0.5
311.09155	0.5
312.06284	0.5
313.07053	5.0
313.10324	0.5
314.07886	1.2
321.07617	3.3
321.10916	0.6
322.08319	0.5
323.09329	0.4
324.06107	0.6
325.07059	0.8
325.10541	0.6
327.08655	0.4
328.05768	1.0
331.11829	0.8
333.07486	0.7
335.09064	0.9
336.06604	0.4
337.06824	0.7
339.08655	0.7
343.08176	4.4
343.30499	0.5
349.07120	1.9
349.10483	0.7
351.08594	1.2
353.10190	1.0
361.06863	0.6
363.08395	0.5
365.10437	0.3
367.07803	2.0
367.11826	1.1
375.08633	0.5
377.06619	0.4
379.07922	0.8
385.12894	0.8
389.81250	0.4
390.31339	0.7
391.08234	0.7
397.09122	1.0
397.13187	0.8
409.08713	0.6
417.09634	1.1
427.09732	1.6
435.10953	1.0
445.10526	1.1
445.16040	0.5
453.84540	0.4
454.34967	0.3
463.10275	8.2
463.21631	0.5
463.32663	0.6
464.11032	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1238
Annotation	Leucanthoside
Peak:m/z	Relative Intensity
53.03924	0.6
54.17114	0.7
55.01862	1.0
57.03431	1.1
61.02920	0.6
65.03923	0.6
65.48606	0.5
69.03451	0.5
69.42990	3.8
70.72861	0.6
74.13474	0.6
81.03391	0.6
85.02890	2.0
97.02850	0.8
103.03953	0.8
104.40611	0.5
107.04984	0.6
109.02860	1.3
117.03320	0.6
121.02887	1.3
123.00856	0.6
135.04384	0.7
137.02382	0.5
141.01836	1.2
147.04347	0.7
149.02328	0.9
149.05917	2.0
151.03920	5.9
165.01849	12.3
167.03381	2.4
170.59393	0.5
175.03923	1.2
177.01814	1.1
183.02913	3.4
187.03967	1.1
189.01736	0.6
191.03314	1.1
195.02954	1.5
199.03889	0.6
205.04930	1.0
207.02658	0.7
215.03395	0.7
243.02895	1.8
243.06543	1.7
254.05867	0.8
257.04492	0.6
257.22928	0.6
258.05240	0.9
259.06021	0.6
267.07028	0.6
268.07306	1.0
269.07761	0.5
270.05215	5.0
271.05994	3.9
272.06625	0.6
282.05307	5.4
286.04828	2.8
295.06052	0.8
296.06821	10.1
297.07526	4.4
298.04761	20.6
299.05374	2.0
300.06320	6.9
301.07065	7.0
308.06815	0.6
309.07654	1.9
310.04691	4.8
310.08401	4.5
311.09125	5.7
312.06235	1.6
313.07080	100.0
314.07785	7.4
320.06882	2.5
321.07321	1.0
322.04764	1.2
324.06305	9.9
325.07092	6.4
325.10776	1.7
327.05191	0.7
327.08426	2.8
328.05759	18.5
335.09250	1.5
336.06277	2.7
337.07150	1.9
338.07925	7.6
339.04962	1.6
339.08609	14.8
341.06650	0.8
343.08151	72.4
344.08548	1.9
348.06332	2.3
349.07199	0.9
351.08572	2.6
352.05792	1.2
353.06021	1.0
353.10226	15.3
363.08636	3.1
364.05817	3.1
365.06464	0.8
366.07352	1.1
367.08170	44.0
368.08484	1.1
376.05847	1.7
379.08151	11.3
381.09985	2.8
391.08179	8.1
394.06818	1.9
397.09238	24.3
398.09836	0.8
409.09222	22.6
410.09503	0.7
427.10309	24.2
445.11365	12.3
463.12451	4.8
463.22366	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	39.0
57.07080	53.9
66.96319	8.5
67.05508	20.7
69.07056	42.7
71.04984	13.8
71.08627	39.7
71.55083	12.4
79.05489	21.8
80.96699	8.8
81.07064	79.5
83.04981	11.3
83.08608	31.7
85.10162	23.2
93.07051	14.2
95.08630	56.3
97.10172	19.8
99.04477	29.9
105.07052	19.3
107.08583	16.7
109.06543	19.1
109.10167	36.1
111.11716	28.5
121.10160	16.7
123.11708	26.0
125.13245	12.9
127.03940	54.9
136.00304	9.6
137.05977	73.9
141.05470	10.1
145.64542	9.4
159.11703	19.5
167.07063	12.0
173.09607	49.4
179.06990	9.3
183.06544	23.3
187.11215	16.4
295.95773	9.0
383.33008	15.6
401.34232	100.0
419.35330	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	461.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.6
55.05518	31.1
56.73171	4.3
57.07083	51.7
65.03933	4.7
67.05489	14.4
69.07072	47.3
69.52008	33.1
71.04996	10.7
71.08636	43.4
79.05507	24.5
81.07062	94.5
82.43167	4.1
82.97855	4.3
83.04986	7.1
83.08610	38.8
85.06553	6.4
85.10204	25.6
91.05472	8.7
93.07040	16.7
95.08613	51.5
97.10173	31.4
99.04463	22.2
105.07033	9.4
107.08578	16.3
109.06519	12.2
109.10181	25.2
111.04436	5.6
111.08058	6.0
111.11726	13.8
119.08608	4.7
121.10143	18.4
123.11713	17.5
125.05983	9.1
125.13299	6.6
127.03932	58.2
127.07563	4.3
135.11693	10.8
136.38228	5.1
137.05998	82.3
141.05423	4.8
145.04942	5.5
145.10124	17.0
149.09567	5.5
149.13283	14.1
151.07622	10.4
151.14888	4.7
159.11703	13.7
163.14769	10.7
164.32204	4.1
167.07021	6.9
171.11589	4.8
172.08736	6.0
173.09647	37.0
173.13246	4.8
177.09172	6.1
177.16495	5.3
183.06598	21.5
187.11183	15.4
191.10645	6.5
205.12247	9.6
317.32013	6.1
335.32935	12.8
338.68668	4.7
362.27948	5.3
383.33215	10.8
401.34180	100.0
402.34579	5.7
417.53693	4.9
419.35123	11.9
443.35199	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	461.2899
Annotation	Hyperielliptone HB
Peak:m/z	Relative Intensity
53.03941	8.8
54.46397	2.0
55.01883	10.7
55.05518	40.6
55.62359	2.0
57.03432	9.0
65.03924	4.9
67.05174	4.1
67.05510	62.9
67.52470	1.9
69.03428	6.4
69.07070	21.2
69.23659	2.3
70.79125	6.3
71.04985	5.5
79.05063	4.4
79.05502	57.1
81.03423	35.9
81.07065	68.8
83.04977	9.8
83.08630	22.2
85.06555	2.7
91.05492	53.8
93.07048	50.3
95.04977	32.6
95.08611	29.3
97.06537	7.1
97.10168	14.6
99.08081	2.4
103.05458	4.1
105.07043	40.8
107.04961	18.9
107.08603	26.9
107.91563	2.0
109.06519	9.8
109.10149	11.5
111.08077	8.0
115.05464	4.9
117.07030	21.4
119.04932	4.3
119.08588	26.9
121.06499	17.8
121.10135	16.4
123.08058	7.7
125.09637	16.0
128.06226	7.3
129.07040	19.3
131.04926	5.2
131.08572	32.1
133.06535	12.7
133.10144	15.6
135.08058	8.8
135.11691	8.0
141.07013	7.0
143.08575	18.4
145.06500	25.2
145.10132	14.3
147.08072	9.8
147.11723	9.6
149.09650	5.2
149.13300	12.4
151.96544	2.4
152.37398	2.7
153.09186	3.1
155.08586	7.3
157.06471	4.3
157.10135	12.4
159.08076	8.5
159.11684	12.3
161.06145	2.6
161.09662	4.5
161.13255	2.5
163.11169	2.9
167.08601	3.9
169.10147	5.4
171.08046	5.2
171.11746	3.9
173.09766	2.2
173.13213	2.2
175.11234	8.3
177.12769	7.0
181.10123	3.5
183.11742	5.1
185.13246	3.6
187.14873	2.6
189.09262	2.3
189.11241	8.4
189.16484	2.1
193.10530	2.1
193.12302	12.4
195.11623	3.2
195.13866	3.2
197.13409	2.9
199.14838	6.3
201.05392	2.2
201.12799	4.0
203.14297	2.5
209.13284	3.9
213.12753	2.5
214.88026	2.0
215.14339	2.6
217.16078	11.3
219.13803	3.6
225.12868	2.4
227.12837	2.8
231.13905	4.0
249.14836	4.2
257.15427	4.0
267.15976	2.8
271.16956	3.6
275.16238	3.4
323.23837	2.9
340.30145	2.6
341.24826	6.3
351.23193	15.4
359.25961	2.4
369.24170	35.5
387.25415	18.4
405.26151	2.7
407.25986	3.2
425.26971	4.8
443.27979	46.2
461.29016	100.0
462.29453	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	461.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13634	5.0
55.05517	40.5
56.08140	5.4
57.07082	66.2
67.05502	23.1
69.07072	63.2
71.05006	14.9
71.08639	48.6
71.15208	11.7
73.23527	5.2
77.64574	5.4
79.05486	14.9
81.07066	100.0
83.08621	45.2
85.10175	26.6
91.05479	7.7
92.14299	5.4
93.07061	28.3
95.08616	54.1
97.10184	39.8
99.04456	22.2
105.07040	9.5
107.08605	20.3
109.06511	8.8
109.10157	35.0
111.11744	27.1
121.10131	23.7
123.11745	9.9
123.73717	5.0
125.05963	17.0
125.13312	7.0
127.03909	60.1
131.08580	7.7
135.08124	6.8
135.11707	14.6
137.05984	78.8
137.13324	5.5
141.05502	6.8
145.10190	14.3
149.05994	5.9
151.07597	6.1
153.05521	10.5
155.07050	9.8
157.10196	5.5
159.11739	13.7
163.14771	8.2
167.07092	9.7
169.10202	5.0
173.09622	32.8
183.06540	59.6
187.11220	12.3
191.17941	6.9
317.31854	7.2
335.33096	6.7
378.15356	5.8
383.32959	7.4
401.34171	80.1
419.35175	19.2
461.36002	7.8
482.81689	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	461.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79356	0.5
53.00325	0.7
55.05514	1.5
56.96563	1.1
57.07088	1.0
61.02927	0.7
61.24396	0.5
65.03944	4.6
67.05507	2.0
69.03427	0.9
69.07064	2.2
70.93950	1.1
70.94278	0.7
73.02908	0.7
79.05492	1.8
81.03424	1.1
81.07068	2.6
83.08632	1.1
85.02908	0.8
91.05491	1.5
93.03407	2.8
93.07058	1.6
95.08618	2.1
97.02864	1.0
98.97622	0.8
105.07029	1.2
107.08585	1.0
109.10155	1.3
111.04446	0.6
119.08582	0.8
121.02876	3.1
121.06548	1.4
121.10142	0.8
123.11746	1.1
128.98610	0.6
131.01303	4.1
131.08585	0.7
133.06516	0.7
133.10193	0.6
147.04395	2.5
149.02361	76.2
150.02690	0.8
161.43610	0.5
163.03972	1.2
163.11171	0.5
167.03421	100.0
168.03841	0.7
170.19766	0.5
173.22536	0.6
176.96640	0.5
179.03455	0.8
181.04820	0.7
191.06969	0.6
201.98750	0.9
217.08620	1.7
240.57610	0.5
259.08618	0.8
269.08124	61.6
270.08466	0.9
285.10129	0.8
315.10941	0.6
330.35944	0.5
336.05945	0.6
337.14304	1.9
341.21033	0.8
351.16104	0.6
392.12277	1.0
405.20697	1.0
461.26712	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	461.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.6
53.08088	1.8
55.01867	5.7
55.05510	22.6
55.65086	1.6
57.03433	6.5
65.03934	3.7
67.05510	57.5
69.03433	4.6
69.07073	17.0
70.14867	1.8
71.04993	3.4
71.05990	2.4
71.06317	3.0
77.51581	1.7
79.05498	50.6
81.03424	59.7
81.07065	61.9
83.04992	10.4
83.08619	21.7
85.06536	2.9
91.05486	47.5
93.07047	51.4
94.67097	1.9
95.04973	34.5
95.08607	21.9
97.06530	8.3
97.10176	11.8
99.08099	3.2
105.07034	35.9
107.04950	12.6
107.08598	28.0
109.06527	6.1
109.10161	8.0
111.08109	10.0
115.05450	4.2
117.07034	15.1
119.04922	2.8
119.08578	19.9
121.06503	14.7
121.10139	15.6
123.08092	5.9
123.11692	2.1
125.09612	11.0
128.06244	3.0
129.07016	19.3
131.04958	2.8
131.08580	24.1
132.10234	2.1
133.06493	6.8
133.10143	10.9
135.08076	6.1
135.11719	7.0
137.95824	1.8
141.06947	2.6
142.07840	3.4
143.08588	7.7
145.06467	11.6
145.10132	9.8
147.08061	8.2
147.11684	5.9
149.09645	7.2
149.13277	18.1
153.09087	2.0
155.08572	6.2
157.06523	2.8
157.10161	8.5
159.08043	4.0
159.11777	9.8
161.09702	3.7
167.08575	2.5
169.10107	4.2
171.08157	3.5
171.10011	1.9
171.11700	3.4
173.09718	2.3
173.13318	2.6
175.11211	8.8
177.12741	4.6
181.10034	2.7
183.11697	3.0
185.09685	2.0
185.13319	2.5
187.11198	3.0
189.11264	6.3
193.12247	21.5
195.13858	2.1
197.13336	2.5
199.14871	5.1
215.14188	2.6
217.15901	7.6
225.12735	2.2
227.12733	2.7
231.13855	2.4
239.14314	2.4
249.14832	2.2
257.15408	3.4
267.70514	1.9
333.22284	2.2
341.24606	4.4
343.22385	4.2
351.23114	11.5
369.24319	25.0
387.25211	11.4
417.26428	7.1
443.28000	23.2
461.29031	100.0
462.29480	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	461.2689
Annotation	Vielanin B
Peak:m/z	Relative Intensity
51.88629	0.4
53.74923	0.3
62.49064	0.4
65.03613	0.9
65.03944	14.3
70.79716	0.8
81.07075	0.6
91.91386	0.4
93.02815	0.8
93.03410	14.0
103.05451	0.4
105.03421	0.6
107.04921	0.9
119.04926	0.5
131.01193	0.4
131.08539	0.5
147.04460	2.0
149.02365	4.6
161.02341	13.0
162.02718	0.4
163.03938	1.6
167.03418	3.2
177.05452	0.6
179.03406	100.0
180.03746	1.9
181.05000	1.0
193.04944	1.0
197.31950	0.4
216.98203	0.4
217.08614	40.4
218.08987	1.0
235.09674	14.4
239.07288	0.4
261.71109	0.4
269.08237	2.0
273.63303	0.4
281.08096	14.0
283.09680	1.8
285.14868	1.8
303.15906	1.7
307.09586	0.5
323.12820	0.6
337.14368	22.6
338.14688	0.5
341.21210	1.7
351.15894	0.5
402.80011	0.4
405.20645	8.3
461.26865	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	461.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32699	5.0
53.45109	4.8
55.05510	10.5
69.03416	6.4
69.07040	8.8
71.35495	7.9
81.07048	17.5
83.08619	12.4
85.02918	7.9
93.07050	17.1
95.08593	29.1
98.58743	4.9
99.08100	26.9
105.01893	5.9
106.66457	5.5
107.08612	30.9
109.10159	11.6
111.08067	10.0
121.10163	50.8
123.11748	5.7
127.03939	6.1
135.11655	9.8
137.13197	6.1
177.16412	100.0
195.17480	26.7
211.92886	5.1
213.18517	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	9.9
56.50497	3.6
67.05504	6.9
69.07069	12.0
71.04958	4.6
76.59776	3.4
79.05504	6.3
81.07063	13.6
83.08628	8.3
85.02902	9.3
85.07926	3.6
86.09705	4.9
91.05494	5.7
93.07040	14.6
95.08605	24.7
97.02891	4.7
98.20702	7.6
98.97604	5.5
99.08108	25.4
105.01868	5.4
107.08603	28.1
109.10140	7.6
111.08075	10.5
121.10148	55.4
125.09660	7.0
127.03920	5.4
135.11711	9.6
137.13318	6.2
176.47678	3.7
177.16393	100.0
195.17448	24.7
213.18500	68.4
283.17722	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	461.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.3
55.74023	3.4
56.96559	13.3
57.03432	3.2
67.05498	8.8
69.03426	11.0
69.07074	15.2
69.80572	8.3
69.80983	12.6
70.95914	3.3
71.04989	5.1
79.05492	6.9
80.84479	3.4
81.07067	23.6
83.08643	4.9
84.08141	4.6
84.96037	7.2
85.02914	8.6
85.06547	6.7
90.81517	3.1
91.05451	6.9
93.07044	19.0
95.08623	40.2
97.02927	3.4
98.97598	51.7
99.08138	6.1
104.71661	3.4
105.01889	4.5
105.07029	6.4
107.08585	24.4
109.10151	11.9
110.97571	14.5
116.97789	3.3
116.98621	17.5
121.10162	37.0
123.11674	5.5
125.09665	16.5
127.03985	4.2
128.98618	13.2
133.10149	16.8
135.11684	11.0
137.13281	10.9
143.00188	7.1
149.13293	7.0
152.98563	4.6
158.99648	9.6
167.07008	7.0
170.99612	7.5
177.00699	5.3
177.16394	78.2
189.00746	4.8
192.76111	3.7
195.17438	23.0
213.00766	3.9
213.18517	9.7
219.01791	13.4
237.02811	13.6
237.04985	3.8
239.46565	3.4
256.07343	5.5
259.13596	3.8
284.06818	16.1
299.09149	100.0
329.12802	8.4
347.13831	35.0
376.06235	3.7
413.18576	4.4
461.17181	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71767	3.0
53.03962	3.4
55.01860	3.4
55.05500	10.1
56.96560	4.2
57.03437	3.0
57.07077	7.8
67.05500	13.3
69.03436	19.4
69.07082	19.4
69.86370	2.7
69.94901	2.9
69.97654	10.9
71.05000	5.8
73.02934	5.1
79.05491	12.6
81.03416	9.6
81.07061	27.9
83.04964	3.2
83.08607	8.2
84.08149	14.1
85.02917	22.1
85.06566	17.0
86.03228	3.9
87.00819	11.2
91.05476	7.5
93.07046	24.1
95.04976	3.1
95.08624	37.9
97.02884	9.4
97.10168	3.5
98.20789	3.3
98.97577	2.9
99.04455	5.4
99.08089	11.4
105.01865	7.1
105.07025	11.2
107.04948	7.4
107.08605	33.8
109.02886	3.7
109.06500	4.5
109.10182	16.8
109.10828	3.0
119.05021	3.6
121.10174	48.3
122.39846	3.1
123.11714	7.4
125.09647	37.6
127.03902	11.5
131.08540	3.2
133.10158	6.9
135.11728	15.7
137.06017	3.7
137.09682	4.4
137.13289	18.9
138.85190	3.0
145.04977	4.1
147.11638	3.2
149.13261	6.6
153.97690	2.8
167.07047	6.1
177.16409	100.0
179.89952	2.9
193.08675	4.8
195.17465	39.6
211.09647	11.1
212.10022	5.1
213.10193	6.8
213.18507	31.5
237.10333	4.9
237.52861	3.9
255.11414	3.5
277.10434	3.0
299.05786	5.2
299.09134	12.8
321.12311	3.5
438.20126	3.2
461.19858	4.7
481.28674	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	461.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18636	0.7
53.03940	2.1
55.01869	3.0
55.05517	7.6
56.96576	1.1
57.03190	0.8
57.03444	10.6
59.04998	0.7
61.02900	1.7
65.03918	1.1
67.05177	1.2
67.05509	17.8
68.99777	1.0
69.03438	5.5
69.07072	11.0
70.06551	0.8
70.71671	2.1
71.01357	13.2
71.04990	2.8
73.02922	15.9
74.16487	0.7
75.04467	1.7
78.02213	0.8
79.05491	11.4
81.03427	2.0
81.07062	58.5
83.01344	2.0
83.04992	4.4
83.08648	4.7
83.93658	0.7
84.08141	4.3
84.72502	0.8
85.02912	35.3
85.03432	1.8
85.06521	3.8
87.00833	0.9
87.04494	0.9
91.05489	20.2
93.07047	9.6
95.01341	3.7
95.04973	3.4
95.08604	12.1
97.02897	9.8
97.06540	4.6
98.97597	0.9
99.00851	4.2
99.04451	2.1
99.08095	3.2
101.02368	4.4
101.06023	0.8
103.03967	4.6
105.07038	27.7
107.04958	1.0
107.08604	9.5
109.06528	4.4
109.10165	1.4
111.04366	0.8
113.02374	16.6
113.06020	0.9
117.07031	0.8
119.08591	22.0
120.88078	0.7
121.09328	1.3
121.10155	16.7
123.00798	1.3
123.04417	1.0
123.08083	3.0
123.11716	20.0
125.09615	1.5
127.03955	1.0
127.07559	2.9
131.03426	6.3
131.08603	1.3
133.10152	1.7
135.11671	1.2
137.05928	0.8
137.13264	2.8
141.01825	8.4
141.05438	0.7
141.09097	1.0
145.04921	1.8
145.10081	1.8
147.11697	64.2
148.12029	1.5
151.07590	0.8
157.10159	1.4
159.02921	4.3
159.06572	1.7
165.12762	39.5
167.07060	2.1
169.05002	3.6
175.11221	2.1
183.08179	1.2
183.13809	8.0
184.03639	1.8
187.06027	1.7
189.12805	0.8
193.12251	4.2
197.04457	2.9
210.06839	0.9
211.07614	1.3
211.13264	2.1
215.05490	6.2
227.07039	1.1
228.07680	1.3
229.14352	15.9
233.06395	1.0
239.07040	3.5
241.05080	1.2
243.10182	3.3
252.03914	0.8
256.07376	5.6
267.15857	7.4
284.06815	19.0
285.16977	24.1
293.30084	0.7
299.09167	100.0
300.09457	2.8
309.16931	4.2
327.18079	1.3
351.17789	0.8
379.17380	2.4
425.17960	2.3
443.19171	0.9
461.20547	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	461.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	14.5
55.01871	14.1
55.05513	25.4
56.45378	2.3
57.03418	8.9
57.03703	2.0
57.07069	4.9
59.04996	3.8
61.02914	9.7
66.58285	2.5
67.05515	14.4
68.99779	7.0
69.03428	58.1
69.06728	3.6
69.07069	52.0
71.04991	14.3
71.08630	2.6
73.02891	9.2
79.05466	10.0
81.03415	49.0
81.07046	30.4
83.04992	16.7
83.08613	9.4
85.02908	100.0
85.06557	20.4
87.00838	33.4
87.04473	3.4
91.05461	5.9
93.07026	15.9
93.52263	2.3
95.08603	48.0
97.02892	31.5
97.06529	6.3
97.10169	14.1
98.21545	4.4
99.04453	27.0
99.08090	35.0
103.03965	2.4
103.07567	3.6
105.01862	28.0
105.07011	5.5
107.08582	29.2
109.02888	51.3
109.10159	21.5
111.08055	4.5
111.11740	11.8
113.09639	12.7
117.01842	5.2
119.08565	4.4
121.10136	38.7
123.07973	2.9
123.11703	8.9
124.84075	2.3
125.09609	12.7
127.03915	92.2
129.01825	9.5
135.11697	17.5
137.13237	20.7
139.11182	12.4
145.04959	26.8
147.02841	5.3
149.13240	8.1
151.14787	4.2
153.12737	20.8
159.02899	31.9
159.11577	2.7
167.06949	3.6
177.03929	3.7
177.16388	96.2
178.16733	2.9
195.17445	97.1
207.55594	2.5
213.04034	3.9
213.18498	66.3
231.05025	21.1
309.49957	2.2
311.05417	2.4
312.54657	2.4
461.23831	13.5
461.30917	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	461.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.6
57.01625	0.8
67.05483	3.3
69.07075	1.3
69.97617	3.9
70.06583	1.2
71.82755	0.7
79.05475	2.4
81.03407	2.1
81.07040	2.7
83.08614	1.1
84.94267	0.9
88.07649	1.4
91.05476	2.3
93.07035	2.2
95.04939	1.7
95.08605	1.9
95.75045	0.8
102.09184	2.1
105.07007	2.9
107.04925	1.1
107.08593	1.1
114.24807	0.9
117.07024	1.4
119.08591	1.4
129.07002	1.4
134.73584	0.9
145.10141	1.5
197.96667	0.7
201.98746	46.7
219.99837	2.5
256.26401	1.7
258.05048	13.3
262.49655	0.9
273.00684	0.8
336.06076	14.8
337.06805	3.0
359.08078	2.4
369.24036	1.3
377.09531	2.8
387.25317	1.1
392.12323	100.0
393.12753	4.6
394.78079	0.8
433.14868	3.6
438.15988	1.8
443.27713	1.4
460.37918	2.9
461.19403	3.4
461.28583	4.1
461.38440	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.8
55.01868	5.2
55.05523	10.9
56.96567	2.4
57.03440	22.0
59.80444	2.0
65.03934	3.8
67.01832	2.2
67.05508	32.1
69.03444	10.3
69.07079	15.7
71.01361	23.7
71.04971	5.2
71.55719	3.1
73.02553	3.2
73.02919	29.8
75.04486	2.8
79.05499	21.0
81.03420	3.6
81.07062	89.9
83.01324	4.6
83.04976	6.7
83.08618	7.8
84.08121	2.2
85.02435	3.8
85.02914	56.2
85.06532	5.4
91.05491	44.6
93.07055	17.6
95.01340	10.4
95.04950	6.1
95.08620	16.6
97.02901	16.6
97.06537	7.0
99.00807	5.5
99.04462	2.1
99.08060	3.0
101.02390	9.0
103.03934	6.7
105.06387	3.4
105.07044	40.7
107.05000	2.3
107.08607	14.7
109.06481	4.3
109.10172	3.8
113.02369	24.7
113.06042	2.1
119.08588	33.2
119.30125	2.2
121.10141	23.3
123.08070	4.6
123.11715	31.4
127.07563	3.0
129.07063	3.2
131.03404	11.0
131.08539	2.0
133.10155	4.3
137.05943	3.4
138.33815	1.8
141.01819	15.8
141.09125	2.5
145.05055	2.2
147.11699	100.0
149.09631	3.7
151.03847	2.7
157.10141	3.4
159.02933	7.7
160.02751	2.0
165.12770	61.6
169.05006	7.0
175.11183	3.2
183.13785	13.3
187.06015	3.0
193.12277	8.6
197.04520	3.8
211.13229	3.2
215.05496	8.0
215.11720	2.0
229.14375	24.4
235.77629	2.1
241.04802	2.5
241.11168	2.8
259.12042	3.6
267.15912	14.9
269.04477	2.4
281.81244	2.1
285.10068	4.7
285.16977	33.7
299.05493	11.5
309.16995	7.1
375.20102	4.0
397.17859	1.9
417.20999	10.8
425.18201	4.4
426.09030	2.3
461.20151	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	461.1449
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01861	0.6
55.05506	0.7
57.03431	0.8
59.52652	0.2
61.02911	0.3
67.05516	1.2
69.03439	1.3
69.07067	0.8
69.52176	1.3
71.01353	1.1
71.04992	0.3
73.02924	1.2
79.05505	1.3
81.03399	0.7
81.07060	3.9
83.04971	0.7
83.08614	0.4
84.08147	1.8
84.73801	0.2
85.02910	4.0
85.06532	0.6
87.00829	0.5
91.05487	1.2
93.07050	1.3
95.01332	0.4
95.04967	0.5
95.08620	1.5
95.11906	0.2
97.02878	1.0
97.06554	0.6
98.21599	0.2
98.97548	0.3
99.00809	0.3
99.04458	0.4
99.08102	0.4
101.02393	0.3
103.03944	0.5
105.01859	0.2
105.07021	1.6
107.04980	0.4
107.08604	1.1
108.16370	0.3
109.02888	0.6
109.06513	0.4
109.10143	0.4
111.04446	0.4
113.02370	1.2
119.05036	0.3
119.08606	1.2
121.10158	1.2
122.28022	0.2
123.07996	0.2
123.11700	1.3
124.01601	0.2
125.06010	0.3
125.09645	0.2
127.03928	1.2
127.07530	0.2
131.03398	0.4
132.05714	0.5
133.06459	0.4
133.10161	0.5
135.04413	0.5
135.11668	0.6
137.05946	0.4
137.28125	0.2
141.01810	0.7
145.04993	0.4
147.04463	0.3
147.11711	3.6
149.13182	0.2
151.07582	0.3
152.01031	0.2
159.02875	0.3
165.09262	0.3
165.12753	2.6
166.02640	0.5
167.03418	0.3
167.07019	0.8
168.05698	0.6
176.28075	0.2
177.16423	0.4
177.78412	0.2
182.07248	0.5
183.08096	1.7
183.13795	0.5
184.03696	2.1
185.06044	0.3
189.03911	0.2
193.12291	0.3
195.13808	0.4
196.05206	0.6
197.05951	0.4
200.08174	0.2
207.17673	0.3
210.06790	0.5
211.07597	1.7
212.08340	0.2
213.05511	0.5
215.05493	0.4
224.04794	0.3
225.05473	0.4
227.07100	1.2
228.07863	1.1
229.14417	0.7
239.07057	2.9
241.05019	0.9
243.10194	4.2
255.06616	0.5
256.07330	6.6
257.07889	0.3
267.06543	0.8
267.15887	0.5
283.06003	1.7
284.06808	14.5
285.06985	0.5
285.16977	1.3
290.76382	0.2
299.09158	100.0
300.09509	2.4
415.67920	0.2
461.20151	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1449
Annotation	Isoembigenin
Peak:m/z	Relative Intensity
51.91285	0.3
53.00289	0.4
53.03946	1.2
59.26147	0.3
70.69915	1.0
76.02235	0.4
79.05489	1.3
81.93282	0.3
85.02905	0.9
93.42074	0.3
95.04987	1.3
96.61884	0.3
97.66563	0.3
98.21537	0.4
105.04499	0.4
107.04964	100.0
108.05292	1.1
109.02892	0.6
137.47112	0.3
139.03937	0.6
147.04556	0.4
149.05965	0.4
165.01808	0.7
165.05478	0.8
178.03218	0.6
193.04945	0.6
193.06500	0.6
199.49376	0.4
205.04985	13.0
206.05779	3.9
216.04218	0.4
217.05000	3.5
219.06494	1.9
229.04971	0.5
230.05742	0.7
231.06558	1.1
233.04375	0.7
235.06033	15.9
241.04956	0.5
243.02965	0.9
245.04341	0.8
245.08118	2.4
247.06143	0.6
259.06052	4.6
261.03854	0.8
265.06973	0.5
267.03006	0.5
273.07562	1.2
289.07080	1.1
299.05435	0.7
301.07077	1.3
311.09171	9.2
319.08170	1.5
323.09195	2.4
325.10620	0.5
335.09036	0.6
339.08621	0.5
341.10226	18.6
342.10516	0.6
351.12387	0.9
353.10080	0.6
365.10245	7.0
371.11200	1.1
379.11783	1.0
383.11081	0.6
390.65369	0.4
395.11282	8.5
407.02737	0.4
407.11392	4.3
425.12369	11.8
443.13419	20.2
444.13364	0.5
461.14481	31.7
462.14825	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.05508	7.0
56.96301	1.5
56.96571	24.6
67.05509	12.1
69.07050	3.8
70.20638	3.2
79.05502	9.0
81.03424	4.5
81.07072	9.7
83.08608	3.1
91.05507	9.6
93.07025	8.4
95.04971	4.2
95.08609	3.0
97.10140	1.6
105.07030	5.4
107.04942	2.3
107.08603	6.1
109.10148	1.7
117.07033	3.7
119.08595	5.6
121.10114	1.6
125.98877	1.3
127.23582	1.2
129.07033	2.9
131.08562	4.2
133.06473	1.3
133.10123	4.0
135.11661	1.5
143.08574	2.0
145.06474	1.8
145.10124	2.1
149.09636	1.8
149.13260	2.1
157.10156	4.0
159.11682	2.1
163.00629	1.9
165.01903	1.5
169.10184	1.5
175.11200	1.9
177.12724	1.7
181.01607	2.0
182.99696	2.8
189.11163	1.6
193.12181	2.7
195.03279	1.6
197.01303	1.7
201.00735	4.8
205.05008	2.6
206.99640	8.0
208.97595	2.0
210.99150	1.9
213.00601	1.4
221.01234	2.8
225.00746	24.7
225.04266	2.1
226.98705	3.5
229.00186	2.1
234.98965	1.9
239.99504	2.8
243.01733	17.8
245.08545	2.3
248.02367	2.4
253.00145	2.9
259.06412	2.6
261.02841	2.1
263.09589	9.0
265.07498	3.1
271.03024	1.6
277.07458	5.4
279.03308	1.4
280.26428	2.4
281.26584	1.8
283.02734	1.4
283.08630	1.6
287.02319	2.4
289.07309	1.6
295.03098	1.4
299.02237	1.5
301.03738	1.6
311.02191	2.0
313.03949	2.9
317.03311	2.5
323.02390	4.8
329.03470	9.3
337.07431	4.5
341.03351	23.9
347.04395	4.9
351.23196	2.6
355.08585	10.3
359.04419	7.9
364.05182	2.3
369.24173	6.2
373.09641	1.4
379.08542	27.8
387.24933	1.8
397.09631	52.9
397.14819	2.7
415.10678	100.0
416.11136	3.0
420.11240	8.7
429.12473	1.7
433.11768	31.1
438.12323	10.8
443.27618	4.4
461.29004	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	460.327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37138	0.7
53.03944	2.1
55.01875	1.1
55.05508	9.9
56.05038	4.2
57.03436	1.7
57.07072	2.5
57.35775	0.7
58.02966	1.6
60.04516	1.7
60.36051	0.6
61.02911	1.0
65.03930	1.7
67.05509	16.5
68.05024	2.5
69.03436	5.0
69.07074	9.9
71.08640	1.3
71.69082	0.6
73.02898	0.7
74.06074	0.7
79.05501	11.8
80.05019	2.9
81.03423	5.0
81.07064	14.7
82.06594	7.7
83.04961	1.4
83.08615	5.6
85.02908	9.1
86.06078	0.9
87.04447	1.1
91.05495	11.2
93.07054	9.5
94.06581	5.8
95.04974	3.1
95.07357	1.7
95.08624	9.6
96.08131	4.3
97.02901	3.7
97.06528	1.1
97.10188	3.0
98.06002	1.1
98.21593	1.5
99.04455	0.9
100.07636	1.3
105.04480	0.8
105.07040	6.1
106.06577	0.8
107.04969	1.4
107.08604	4.8
108.08091	1.8
109.02861	1.3
109.10156	4.9
112.07617	1.0
117.07035	1.5
119.08577	3.3
121.10152	3.9
122.09688	1.1
123.11723	1.0
124.89624	0.7
127.03909	1.4
129.06982	2.1
131.08594	1.9
133.06509	1.0
133.10130	2.7
133.62639	0.8
135.11693	0.9
136.11249	1.2
136.51260	0.7
143.08556	1.0
145.06516	1.5
147.07935	0.7
147.11717	1.6
149.13260	1.6
157.10149	0.8
161.13257	0.8
175.11171	0.9
185.09630	0.7
185.63237	0.7
193.12253	1.0
217.15907	0.7
219.21252	0.7
226.46657	0.8
250.25275	4.6
260.23816	1.2
262.25333	26.5
263.26065	1.1
264.27020	4.9
280.26373	100.0
281.26871	0.8
298.27301	3.7
322.27625	1.1
351.23264	1.0
368.22919	1.7
369.24210	1.7
394.29739	1.2
412.30652	1.3
424.30435	2.4
435.89493	0.7
436.81192	0.7
442.31757	8.3
443.27945	1.5
460.27698	2.9
460.33456	3.9
461.28534	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	459.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.4
55.01875	12.4
55.05515	66.1
57.03442	6.7
59.04992	5.4
61.82265	1.9
65.03916	4.4
67.05172	3.5
67.05507	46.9
69.03421	6.6
69.07066	17.1
71.04982	2.9
79.05067	3.8
79.05500	55.1
81.03406	3.8
81.07063	42.6
83.04985	6.5
83.08627	29.5
85.06536	2.1
91.05489	51.3
93.07044	24.6
95.04972	5.3
95.08613	19.6
97.06535	4.4
97.10178	52.8
98.20734	4.7
103.05476	22.4
105.07036	38.2
107.04951	9.3
107.08604	26.7
107.49285	2.4
109.06525	4.6
109.10160	10.7
111.08108	4.1
115.05460	17.9
117.07025	63.8
118.46374	2.1
119.08596	21.0
121.06499	4.1
121.10160	5.3
125.09641	50.7
128.06233	7.0
129.07014	29.8
131.04941	5.7
131.08575	46.0
133.06514	10.7
133.10149	4.8
135.08046	11.6
135.11658	2.7
141.07002	16.2
142.07788	3.0
143.08601	17.9
145.06502	16.3
145.10110	16.4
147.08052	6.3
149.09631	7.0
153.07043	3.5
153.09129	5.5
154.07864	1.9
155.05984	2.5
155.08568	23.0
157.06483	7.9
157.10115	11.7
159.08104	7.5
159.11703	5.5
165.07076	2.1
167.08583	8.1
169.10130	13.4
171.08049	6.0
171.10159	5.8
171.11676	6.8
173.09627	2.4
173.13307	3.1
179.08530	2.2
181.10066	2.7
182.10976	2.4
183.11650	4.6
184.43391	2.6
185.09660	4.7
185.13271	4.9
187.11348	2.1
187.14819	20.5
189.11234	27.8
189.12740	3.4
195.11679	5.0
197.11626	3.2
197.13246	18.8
199.11203	3.4
207.11618	2.3
209.13264	4.1
211.14905	3.3
213.12758	5.5
215.14328	100.0
221.13116	2.7
223.11163	4.8
227.12766	36.6
229.34024	2.2
231.13757	2.4
233.13330	2.8
233.15373	3.2
237.12831	3.1
241.12279	6.0
251.14218	2.1
253.15918	4.0
259.13086	2.1
271.17001	8.3
273.14896	2.4
339.23099	7.0
349.21704	15.1
357.24026	3.1
367.22702	43.0
385.23724	29.1
403.24841	7.4
423.25201	3.4
441.26385	57.0
459.27408	83.4
460.71902	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	460.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
67.05468	1.0
69.03417	2.4
70.06583	1.3
71.12206	2.2
72.08176	0.9
79.05482	1.1
81.03389	0.8
81.07037	1.2
85.02909	6.6
86.09703	1.9
92.26189	0.8
95.08599	5.7
97.02893	2.7
97.06516	1.8
105.07029	1.0
109.06498	1.2
119.08557	1.8
121.06510	1.1
123.08075	63.0
126.52520	1.0
127.03894	0.8
128.71152	0.8
131.08543	2.0
135.08029	1.4
137.02380	1.3
137.05965	1.7
143.08485	1.0
145.04973	1.5
147.07983	1.3
148.07578	0.9
159.08047	1.6
165.09125	100.0
166.09543	1.6
167.07080	1.5
170.68073	0.7
175.11191	1.3
199.11224	2.0
203.10762	1.2
215.10596	1.0
217.12143	1.1
219.03070	0.8
227.10835	0.9
233.11790	3.9
245.11734	1.2
263.12814	23.9
300.91992	0.8
310.04678	2.0
311.05615	1.1
323.05521	2.7
341.06543	1.2
353.06558	4.4
371.07739	1.6
395.07877	1.1
407.07562	2.0
425.08569	2.1
443.09793	2.7
460.13239	1.4
460.22281	2.6
461.19745	1.9
472.98291	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30848	1.0
53.03953	7.6
55.01876	8.2
55.05269	1.5
55.05515	26.2
57.03420	3.3
57.54834	1.1
59.04993	1.6
65.37199	1.1
67.05509	31.4
69.03436	5.3
69.07080	6.2
69.84323	2.0
69.84727	5.0
71.04974	2.5
76.91012	1.1
79.05065	2.1
79.05499	33.4
81.03423	52.4
81.07057	24.8
83.04979	5.2
83.08623	15.9
84.69576	1.0
85.02913	1.4
85.06564	1.2
89.62062	1.0
91.05489	30.5
93.07059	16.6
94.79961	1.1
95.04978	18.8
95.08611	12.5
97.02892	1.7
97.06554	1.9
97.10174	15.4
103.05487	1.5
105.06380	2.2
105.07043	21.8
107.04968	16.6
107.08603	14.2
108.22437	1.0
109.06532	4.6
109.10176	7.1
111.04481	1.4
111.08083	5.6
115.05446	3.0
116.06341	1.1
117.07037	9.1
117.62978	1.0
119.04963	2.2
119.08575	13.2
121.06498	10.5
121.10156	5.1
123.04459	2.7
123.08070	5.1
123.11735	1.1
125.09637	13.4
128.06175	1.8
129.07010	12.7
131.04958	5.3
131.08568	13.9
133.06502	7.7
133.10133	7.3
135.08067	5.2
135.11679	2.2
137.09584	2.2
141.07013	3.2
142.07704	1.6
143.08556	7.1
144.05731	2.3
145.06491	21.9
145.10118	4.8
147.04472	2.6
147.08089	5.8
147.11673	8.0
149.09644	3.1
149.13269	1.3
153.07121	1.3
153.09125	3.4
153.12776	1.5
155.08595	4.7
157.06543	5.5
157.10149	11.5
159.08064	5.3
159.11697	2.1
161.05943	5.5
161.09612	3.2
163.11105	1.7
165.06967	1.8
165.09122	1.4
165.12816	1.8
167.08554	2.7
169.06430	2.6
169.10168	2.4
171.08025	6.6
171.10248	1.2
171.11694	3.0
173.06085	1.2
173.09560	1.2
175.07587	1.6
175.11168	8.7
179.08662	1.7
181.10085	4.0
183.08095	2.6
183.11710	2.3
185.09660	2.4
185.13248	2.7
187.14832	1.9
189.11250	6.0
189.12784	2.8
193.10454	1.5
193.12244	30.6
195.08116	2.2
195.11705	4.8
197.09673	2.3
197.13307	3.3
199.11185	2.6
200.58328	1.1
201.12776	1.5
205.12202	1.6
209.13300	2.0
211.11111	1.6
211.17018	1.4
213.12727	3.1
215.14343	2.4
223.11241	2.6
225.12825	1.9
227.14330	2.8
231.13837	1.3
233.15436	3.7
235.11247	1.3
237.12805	3.9
237.46738	1.2
239.14381	2.2
243.13858	1.9
245.15540	1.2
249.14909	2.5
254.23430	1.1
255.13792	5.7
257.15350	2.4
259.13217	1.6
271.17160	1.8
273.14899	14.6
287.16412	1.7
311.16202	1.4
321.22260	1.2
331.20544	1.6
339.23309	5.4
349.21649	14.6
357.24280	4.6
367.22705	39.2
385.23749	38.2
403.24722	7.0
405.24219	2.9
423.25549	2.2
441.26559	6.9
459.27448	100.0
460.27673	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55828	3.5
55.05517	5.3
57.03438	4.3
57.07060	3.7
59.47957	3.3
59.82384	3.2
67.05515	5.4
69.03425	10.5
69.07082	7.2
69.17627	41.9
69.17931	3.5
71.04972	6.0
79.05485	8.2
81.03413	9.6
81.07065	19.0
84.08157	7.8
85.02902	22.3
86.09718	4.9
87.00831	7.9
89.71648	4.2
91.05477	6.7
93.07052	12.8
95.08598	16.9
97.02911	10.7
98.20699	8.0
99.08075	5.8
105.01873	5.8
105.07023	17.6
106.82803	3.6
107.08606	10.9
109.02847	8.9
109.06519	18.6
109.10152	12.0
110.06873	4.2
110.97676	4.1
115.53004	3.5
119.08593	45.5
121.10152	9.9
123.11655	5.7
124.04004	19.0
125.04318	6.3
127.03913	13.0
133.10146	61.7
135.08058	4.8
135.11681	12.4
145.04973	7.7
159.03001	3.8
167.07048	3.8
175.14844	100.0
179.85216	4.1
191.14317	8.6
193.15907	15.3
196.61394	3.3
211.16931	12.7
249.70636	3.7
289.05734	4.9
364.56760	4.0
389.01566	3.7
459.25519	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	459.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94239	1.6
53.03944	7.0
55.01875	13.1
55.05517	59.1
57.03437	4.3
65.03938	2.5
67.05511	47.9
69.03425	5.6
69.07068	14.6
69.57626	1.6
71.54987	1.7
79.05066	3.3
79.05500	52.6
81.03412	5.7
81.07063	37.2
82.22616	1.5
83.04987	6.3
83.08630	27.2
91.05495	38.7
93.03413	1.6
93.07046	20.5
95.04965	6.6
95.08617	12.4
97.06504	3.7
97.10184	49.2
103.05479	26.1
105.03428	2.3
105.07045	31.8
107.04960	6.3
107.08604	24.7
109.06526	4.5
109.10165	6.6
111.08113	3.7
115.05441	13.5
117.07026	61.2
119.08604	16.6
121.06492	4.1
121.10157	4.8
123.08064	3.6
125.08756	2.9
125.09650	45.3
128.06233	6.7
129.07013	27.8
131.04941	5.7
131.08583	41.2
133.06479	10.1
133.10146	6.0
135.08047	11.5
137.09650	1.9
141.06992	15.1
142.07808	3.2
143.08566	19.3
143.10631	2.1
145.06494	15.1
145.10100	14.1
147.08066	4.8
149.09610	5.5
153.07033	3.6
153.09099	6.4
154.07867	2.5
155.06047	2.3
155.08557	16.4
156.09404	2.5
157.06538	4.8
157.10175	8.1
159.08093	4.7
159.11754	9.2
161.09595	2.5
163.11174	2.7
165.07109	2.6
167.08591	5.7
168.09355	2.8
169.10172	10.0
171.08093	4.4
171.10266	3.3
171.11749	7.7
173.11862	2.1
173.13316	6.0
174.61058	1.5
175.11150	1.9
179.08568	3.1
181.10165	4.8
183.11650	4.5
185.09694	2.1
185.13304	4.3
187.11217	3.0
187.14861	19.3
189.11227	28.2
189.12735	2.8
193.12268	3.3
195.11748	3.8
197.09636	2.2
197.13313	20.3
199.11176	2.6
207.11700	2.0
209.13258	1.7
211.14639	2.0
213.12859	8.1
215.14330	100.0
221.13274	3.3
223.11166	3.4
223.14877	2.6
225.12665	2.8
227.12772	33.7
231.13843	2.4
233.13217	2.1
233.15416	4.2
239.14352	2.0
241.12248	4.8
243.13968	2.1
245.13950	2.1
253.15965	2.0
255.13879	2.7
257.15430	2.6
259.13354	3.0
265.55826	1.8
269.01627	3.0
269.15430	4.3
270.37521	1.6
271.16971	7.1
273.15002	2.8
321.22311	4.2
325.07919	3.7
331.20831	2.5
339.23016	8.0
349.21640	15.2
367.22717	36.1
377.06708	2.3
385.23785	24.0
403.24847	8.7
406.58148	1.6
412.95300	1.8
423.25381	3.5
441.26410	55.5
459.15152	6.1
459.27481	88.5
460.27646	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.5
69.03439	4.3
69.07052	1.9
71.04990	1.3
71.09825	2.4
79.05514	1.7
81.03426	2.6
81.07066	7.3
82.69913	1.1
85.02911	7.2
87.00835	3.3
91.05464	2.6
93.07050	4.9
95.08623	9.1
97.02914	3.6
99.08097	2.8
105.01857	3.2
105.07034	11.4
107.08595	8.3
109.02889	3.7
109.10146	1.5
119.08597	36.2
123.11715	1.1
127.03948	5.3
131.08574	1.3
133.10146	49.5
135.11710	9.4
145.05043	1.1
147.11714	2.5
159.02916	1.6
175.14838	100.0
176.15175	2.1
193.15910	7.4
211.16978	4.1
292.36710	1.4
305.05017	1.1
455.47134	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	1.0
53.03946	3.6
55.01865	3.8
55.05518	10.8
56.52676	1.1
57.03431	4.1
60.53614	1.0
61.02922	2.2
62.64844	1.1
65.03951	1.4
67.05507	17.0
69.03427	8.0
69.07072	8.8
71.04993	5.0
71.55456	1.2
73.02913	3.1
79.05500	18.6
81.02985	2.0
81.03424	25.7
81.07061	21.9
83.04973	3.5
83.08626	7.0
84.08113	1.5
85.02914	17.0
85.06538	2.1
86.09711	1.3
87.00845	5.3
91.05477	17.6
93.07059	18.7
95.04991	11.8
95.08620	14.5
97.02896	8.1
97.06533	3.4
97.10191	6.2
98.97593	3.1
99.04459	2.6
103.05444	1.5
105.01849	3.0
105.07041	21.5
107.04967	5.9
107.08611	25.6
109.02862	4.9
109.06532	4.0
109.10162	7.6
111.04432	1.2
111.08084	2.5
115.03963	2.0
115.05440	1.4
117.07042	6.1
119.04945	2.5
119.08586	36.8
120.62178	1.0
121.06525	5.7
121.10172	8.8
123.04435	1.2
123.08088	3.4
123.11702	5.4
123.48959	1.3
125.09641	3.1
127.03916	8.4
128.06181	1.8
129.07001	7.2
131.04930	3.4
131.08568	4.9
133.05029	1.2
133.06517	4.0
133.10141	60.9
135.08073	2.0
135.11703	51.9
137.05981	2.4
137.09605	4.7
139.07527	1.4
141.06999	1.5
143.08598	1.8
145.04982	3.9
145.06499	6.9
145.10170	5.5
147.04465	1.6
147.08051	3.1
147.11707	8.1
149.09650	2.0
149.13277	1.7
151.07520	2.2
153.09126	1.5
155.08562	1.8
157.06438	1.9
157.10143	3.9
158.99747	1.1
159.02930	2.9
159.08046	3.2
159.11705	1.8
161.05991	2.3
161.09599	1.2
163.11211	1.3
165.09091	8.2
165.12727	1.5
167.07050	8.5
169.10216	1.3
171.08067	3.0
173.13286	1.2
175.11429	2.1
175.14841	100.0
176.15147	2.0
177.12729	1.1
181.10097	1.9
183.11766	1.2
185.13196	1.4
187.11223	1.3
189.09198	1.4
189.11246	1.8
193.12277	10.2
193.15903	46.4
195.11761	1.5
205.12317	1.6
211.16954	9.2
237.12895	1.4
255.13857	2.0
273.14841	4.6
297.04050	1.6
339.23206	2.4
349.21603	4.2
357.24142	1.3
367.22699	14.0
375.08685	1.5
378.11639	1.2
385.23788	13.7
403.24899	3.3
441.26328	2.0
459.21881	5.8
459.27563	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	459.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76901	0.5
53.03946	4.1
55.01881	3.5
55.05516	4.4
57.03436	2.1
57.07067	0.8
59.04989	0.7
61.02921	2.3
65.03933	0.8
66.38947	0.6
67.05512	8.4
68.99796	1.7
69.03435	14.4
69.07073	2.7
70.89127	1.1
71.05006	4.0
73.02924	2.9
78.95078	0.6
79.05514	3.5
81.03427	14.7
81.07067	8.2
83.01374	0.6
83.04974	2.0
83.08619	3.0
85.02914	21.7
85.06544	5.0
87.00836	10.8
91.03963	1.0
91.05493	3.4
93.07051	13.1
95.04991	4.6
95.08614	12.8
97.02899	10.7
97.06536	1.5
97.10181	1.4
99.04469	7.4
99.08102	100.0
100.08422	1.3
102.04547	0.6
105.01884	8.6
105.07027	3.5
107.04929	0.9
107.08614	9.8
109.02146	0.6
109.02901	14.2
109.06506	1.6
109.10166	18.6
111.08095	0.9
113.05990	0.9
113.09684	1.2
117.01875	2.2
119.08586	5.7
121.06550	0.8
121.10159	2.8
123.08063	1.5
123.11716	2.9
125.09637	4.0
127.03934	23.6
129.01839	1.5
131.08594	1.1
132.05591	0.7
133.10150	6.3
133.66357	0.6
135.11711	13.5
137.09630	8.3
139.98508	0.6
140.78767	0.7
145.04965	8.0
145.06076	0.8
145.06505	0.6
145.10146	0.7
147.02821	0.9
147.11671	0.8
151.11217	1.1
153.12793	0.6
155.10690	10.9
159.02896	8.4
161.09653	0.7
165.16435	1.3
175.14853	6.2
193.12242	0.8
193.15891	24.5
195.17432	0.8
196.17844	0.6
199.69055	0.7
211.16939	22.6
212.17165	0.7
213.04042	1.0
231.04984	6.7
249.06104	1.0
367.22894	1.4
385.23788	1.6
421.97134	0.8
428.69128	0.6
459.16272	1.0
459.21829	5.8
459.27432	2.2
460.22714	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.0
55.01876	5.6
55.05505	8.0
56.02478	0.8
57.03448	3.8
57.07063	1.2
59.04993	2.5
61.02919	2.2
64.06319	0.7
67.05509	13.7
68.71664	0.8
68.99789	1.9
69.03434	22.8
69.07059	4.2
70.67322	2.2
71.05007	6.9
73.02925	4.7
79.05473	4.8
81.03421	20.4
81.07065	11.7
83.04996	4.9
83.08611	3.3
85.02911	37.9
85.06571	4.8
87.00835	15.0
91.03949	1.4
91.05469	3.6
93.07050	19.3
95.04978	10.5
95.08611	24.0
96.08938	1.1
97.02897	14.3
97.06510	1.0
99.04469	15.7
99.08099	100.0
100.08411	0.9
103.99297	1.0
105.01864	10.4
105.07028	6.8
107.08601	15.8
109.02884	20.3
109.06510	1.6
109.10162	28.6
109.10925	1.4
111.08098	1.5
113.06027	1.3
113.09667	1.2
117.01848	2.8
117.07030	0.8
119.08592	12.4
121.06534	0.9
121.10142	10.6
123.04475	0.9
123.08051	1.2
123.11709	8.5
125.09612	6.6
127.03931	28.8
129.01843	2.7
133.10129	15.8
135.08078	1.3
135.11707	25.5
137.09622	11.5
139.11234	1.3
145.04958	12.0
147.02884	1.4
151.11154	2.1
153.09119	1.5
155.10678	28.3
159.02916	11.0
161.09703	1.1
163.11157	1.1
165.09166	0.8
165.16380	4.7
167.07047	0.9
175.14851	14.5
177.16472	1.3
193.15886	30.9
195.17389	1.1
211.16946	73.5
211.87701	0.8
212.17229	1.5
213.03920	1.5
231.04973	4.7
231.29622	0.8
234.08702	2.6
249.06009	0.8
306.12451	0.8
310.10315	1.0
357.13049	0.8
459.16248	3.2
459.22287	3.2
464.33154	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
55.01867	9.4
55.05500	8.1
56.96557	7.2
57.03443	6.5
58.88805	3.7
59.05005	4.2
59.66274	3.6
60.04519	11.2
66.77110	4.0
67.05502	19.0
69.03432	27.8
69.07056	12.1
70.06599	93.0
71.01358	4.6
71.04985	13.4
71.55587	5.7
71.55975	4.0
72.08152	8.9
73.02915	5.9
79.05493	10.7
81.03439	19.4
81.07064	25.7
81.07504	4.6
83.04991	7.3
84.04516	6.7
84.08140	5.2
84.99915	4.1
85.02923	45.7
86.09692	18.8
86.10162	4.7
87.00824	17.5
87.05604	7.0
88.03983	5.3
91.05502	22.1
93.07050	22.8
95.04968	13.6
95.08604	27.7
97.02914	23.2
98.97584	19.8
99.04445	16.5
99.07497	7.7
99.08102	100.0
99.08745	5.1
105.01870	8.5
105.07011	12.2
107.04953	5.9
107.08610	25.4
109.02898	19.4
109.10158	27.2
118.06528	11.5
119.04970	5.7
119.08596	48.2
121.02861	18.9
121.06548	4.4
121.10150	7.1
123.04450	8.3
123.08044	6.3
123.11671	9.1
125.31585	4.0
127.03951	39.0
133.06100	5.9
133.10147	68.2
134.06013	11.4
135.08052	7.7
135.11711	30.3
136.07573	11.9
137.09641	19.4
145.04939	12.8
146.06006	26.8
147.04425	6.3
149.13168	5.4
155.10722	9.9
157.09724	13.3
158.02747	7.8
159.02921	12.4
162.05501	7.0
165.05521	7.8
173.13210	4.2
175.14851	79.1
179.03467	10.5
182.08055	11.2
185.09282	7.3
190.02217	5.1
193.15926	55.8
201.05415	5.4
204.06552	4.7
205.89471	4.0
207.02858	6.4
211.16942	35.9
230.11700	6.3
231.05040	6.6
259.14420	12.5
281.13684	6.0
285.07483	5.9
286.10724	10.9
294.05280	5.6
295.05850	8.7
296.06107	13.8
297.06873	9.3
297.16998	7.9
298.07379	4.1
307.06064	9.3
308.06378	12.0
309.06757	17.0
312.05338	11.4
325.06778	13.1
326.07245	14.8
327.07919	32.0
337.06866	8.0
338.07587	6.3
339.07724	18.3
343.07086	7.4
352.22363	4.1
353.06079	22.7
354.06805	17.7
355.07117	65.6
367.07053	7.7
381.08719	9.7
395.10666	4.4
397.08154	10.1
401.69028	4.4
415.19684	8.8
415.69147	4.8
423.09814	13.7
431.11066	7.0
441.10806	45.0
459.11429	33.7
459.22360	91.2
471.76230	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60420	1.8
51.64914	1.9
53.03926	5.8
55.01873	3.2
55.05501	6.7
56.96560	2.6
57.03434	3.2
57.49438	2.1
60.04515	4.9
61.17587	1.9
65.03930	2.5
67.05505	12.0
69.03442	17.1
69.07059	6.1
70.06602	36.7
71.04983	7.0
71.06914	2.3
71.55474	2.4
72.08156	2.6
73.02901	3.8
79.05482	4.2
81.03423	18.3
81.07056	13.9
83.04991	5.8
85.02911	30.5
85.06528	5.2
86.09715	11.0
87.00831	11.5
87.05586	4.1
89.06039	4.8
91.05486	9.3
93.07041	18.0
95.04957	6.3
95.08608	20.0
97.02876	10.8
97.06528	1.9
98.97585	2.6
99.04463	7.8
99.08099	100.0
105.01875	8.3
105.07037	9.5
107.04948	5.6
107.08602	14.2
109.02873	15.0
109.06526	2.0
109.10183	18.0
117.01831	2.2
118.06542	4.3
119.04939	1.8
119.08588	16.6
120.08147	2.3
121.02847	3.6
121.10177	9.4
123.04398	5.4
123.07970	2.1
123.11729	4.0
125.09644	4.4
127.03929	25.0
129.01892	3.2
130.82565	2.3
133.08630	2.8
133.10143	19.2
134.05994	3.1
135.11705	25.1
136.07594	4.2
137.09631	12.5
145.04991	9.5
146.06038	11.8
147.11748	2.6
155.10713	9.2
157.09779	5.2
159.02904	7.9
162.05478	3.2
165.05450	5.0
175.14848	22.4
182.08058	2.6
185.09395	2.1
189.01767	2.8
193.15875	31.9
211.13031	3.5
211.16956	33.3
231.05023	4.1
237.02202	2.5
259.14429	6.6
297.06802	2.6
297.16611	5.8
309.06970	3.9
326.07260	4.6
327.07755	8.0
337.06223	2.2
353.06113	4.7
354.06671	3.5
355.07126	16.2
373.18320	5.3
381.08759	3.8
407.17862	2.3
415.19199	9.5
423.09927	2.0
441.10812	7.4
459.11499	5.0
459.22723	62.5
460.22824	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2015
Annotation	SCHEMBL16243022
Peak:m/z	Relative Intensity
50.25530	2.6
53.03952	6.8
55.01886	8.9
55.05508	13.5
56.96569	3.0
57.07058	3.1
57.42302	2.7
65.03951	7.2
67.05510	29.1
69.03439	5.1
69.07060	13.9
69.25556	29.5
69.26943	2.7
71.04995	11.5
72.08147	2.7
79.05499	35.7
81.03427	21.2
81.07069	35.2
83.01344	7.3
83.04970	6.0
83.08619	14.9
91.05487	37.6
93.07053	20.9
95.04969	13.8
95.08628	15.3
97.06522	8.5
97.10181	12.4
98.20789	6.7
101.01659	3.1
103.05469	4.3
105.07053	16.3
107.04949	16.8
107.08590	12.5
109.02902	11.8
109.06537	7.8
109.10170	10.4
111.08092	3.2
113.06012	14.7
117.07030	14.0
119.04948	32.4
119.08607	11.1
121.06532	23.8
121.10174	7.6
123.04485	3.2
123.08084	4.1
125.05965	3.2
125.09628	7.5
129.07025	11.8
131.08575	13.3
133.06502	35.5
133.10220	6.7
135.08087	15.3
135.11748	3.3
137.06021	4.9
137.09570	3.3
141.06982	5.3
143.08560	4.2
145.06500	12.9
145.10153	7.4
147.04424	100.0
147.08038	4.0
147.11755	5.2
149.05995	3.6
149.09584	3.7
151.03966	4.5
151.07549	17.1
153.01804	5.3
155.08537	7.2
159.08076	4.8
161.06010	13.0
165.09109	3.2
167.03462	3.7
169.01378	16.9
169.10176	3.3
171.08011	4.0
171.11664	3.8
173.06033	3.4
175.11226	6.6
177.01883	16.9
181.01332	13.1
189.01839	6.5
189.05450	6.0
189.11206	5.2
189.12718	3.6
191.07005	4.5
193.04990	3.8
193.12263	8.3
195.02881	50.6
195.11765	5.7
197.13191	4.2
199.02414	8.9
205.04858	17.1
207.02832	7.4
207.10146	5.6
213.12781	3.4
215.14331	12.3
217.04933	3.4
217.12279	4.2
219.06525	5.6
223.06067	9.4
227.12679	3.8
229.04976	15.6
231.06477	15.2
233.08109	25.6
235.06010	11.3
237.07590	5.5
247.06007	25.4
249.07515	4.1
251.09119	10.1
253.07085	14.5
261.11169	7.3
265.07098	40.2
269.08066	3.4
273.14713	7.2
277.14294	4.2
283.08163	9.3
285.11197	9.5
297.07629	15.9
303.12283	33.5
321.13412	41.7
339.14365	10.0
341.07892	3.1
341.61801	3.9
349.21463	4.7
351.12170	6.8
353.13907	21.9
355.11804	6.1
357.13086	4.3
367.12119	15.1
367.22775	23.5
385.12885	30.3
385.23804	18.9
385.84598	3.0
405.16876	6.9
423.18036	11.9
441.18985	32.1
441.26187	10.1
459.20969	6.3
459.27283	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1909
Annotation	Neotrilobine
Peak:m/z	Relative Intensity
55.01864	1.7
56.45424	0.3
67.12784	0.4
69.18703	4.0
72.04508	1.0
74.00652	1.1
84.04504	4.6
90.05542	1.7
92.01723	1.0
93.05803	0.9
94.06567	1.5
98.21499	1.0
99.02677	2.3
99.05557	0.5
106.06564	0.7
108.08126	0.8
109.08894	1.1
110.06008	0.4
110.09699	0.8
111.02660	0.7
112.02169	0.4
113.04190	0.5
118.06515	1.0
119.07339	0.8
122.06046	6.3
123.02676	0.6
124.02160	0.6
125.02892	0.4
126.03738	1.1
126.05537	2.2
127.02118	0.8
127.05118	3.8
130.04971	1.3
135.02658	0.6
136.07550	0.8
137.08368	35.7
138.09157	10.2
140.10704	1.1
142.06857	1.0
144.06595	1.7
145.06081	1.6
148.01210	0.4
152.05296	4.9
170.06358	100.0
171.06602	0.7
172.07930	1.4
173.03854	0.8
185.03835	1.7
191.04872	8.6
196.07928	7.5
201.97032	0.4
206.06361	1.1
206.11826	0.5
213.10597	1.6
223.09019	1.8
224.07428	8.8
226.68272	0.4
229.36479	0.4
231.04367	3.9
241.10028	4.4
279.11688	1.1
296.06351	0.4
302.08075	1.5
309.06686	0.6
326.07385	0.8
327.07687	1.7
330.14838	9.9
339.07529	0.6
352.13089	0.7
370.14218	0.7
374.90234	0.4
381.08829	0.6
441.10754	0.6
444.71790	0.4
459.11823	1.2
459.18643	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	12.2
56.01395	11.9
57.03432	1.4
57.07076	8.8
58.06607	12.6
59.04969	1.3
67.05180	1.4
67.05513	22.4
69.03439	13.0
69.07079	15.5
69.17825	12.0
71.08639	2.7
79.05487	4.6
81.07064	25.4
83.04967	1.3
83.08633	13.1
84.04516	35.6
85.10169	3.3
86.06074	89.1
91.05502	3.6
93.07060	4.1
95.04971	2.6
95.08613	23.9
96.08095	1.2
97.10170	13.4
98.06064	5.7
104.07114	61.3
105.07027	3.4
107.08605	2.6
109.06516	1.1
109.10165	9.3
110.06052	3.1
111.11723	6.2
112.03964	9.4
112.58212	1.2
119.08575	4.6
121.10168	1.9
123.11697	3.9
124.07608	2.5
124.55839	1.1
130.05016	13.9
133.10136	2.8
135.11632	1.7
137.13298	1.4
151.14777	1.6
154.08624	2.9
156.06564	13.8
172.09663	1.6
174.07613	3.4
222.89383	1.3
277.29004	1.9
301.28906	2.0
306.31561	1.7
319.30096	2.3
348.32648	33.1
380.35251	1.3
404.35229	61.0
422.36334	100.0
423.36661	2.1
440.37430	26.7
458.33994	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.9
53.31395	1.4
55.01870	7.8
55.05507	3.8
56.96569	2.1
57.03453	8.9
57.07080	9.6
61.02915	6.2
65.03923	2.1
67.05506	12.3
68.99783	8.0
69.03433	20.6
70.20831	8.4
71.01353	2.2
71.04990	3.4
73.02908	4.4
79.05492	3.8
81.03426	24.6
81.07072	3.7
83.04996	2.1
85.02911	56.4
85.06551	33.8
85.82069	1.7
87.00838	19.1
91.03973	3.6
91.05487	6.3
93.07059	1.8
97.02905	21.3
99.04449	9.0
105.01897	11.0
105.07018	3.4
107.04987	3.3
107.08630	2.9
109.02887	21.8
109.06516	9.0
109.10157	3.0
117.01873	3.9
119.04952	4.3
119.08567	4.3
123.04439	13.4
123.08070	6.6
125.09656	3.9
127.03086	3.2
127.03927	32.1
127.07584	8.8
129.01839	5.1
133.06512	2.0
133.10123	3.1
135.04352	2.2
135.08066	2.0
137.05957	3.6
139.03923	2.7
145.05011	12.6
145.10176	1.9
147.03285	2.8
147.04414	18.5
147.08075	4.1
148.04773	6.3
149.05923	2.5
151.03902	6.7
151.07477	1.7
152.12088	1.5
155.03426	2.4
159.02898	18.4
161.05974	3.1
161.09689	3.5
163.03909	4.1
165.05486	2.2
165.09161	4.9
167.07053	3.1
171.07944	2.6
175.07593	4.4
177.05472	5.0
189.03883	2.1
189.05463	3.6
189.09096	8.3
191.03413	1.9
191.07011	4.5
193.04933	4.0
193.08640	30.9
203.10834	2.5
205.08670	3.3
211.09673	100.0
215.38367	1.9
217.04996	5.3
217.08638	14.7
229.08640	3.8
231.04866	4.1
231.10081	2.6
235.05988	5.3
235.09654	38.5
245.04526	3.7
253.10724	27.4
255.10141	3.5
259.09628	7.1
273.11148	2.8
277.10718	22.5
283.09558	4.8
300.14883	1.8
301.10767	22.0
301.54483	1.8
319.11807	21.1
322.11746	2.2
381.68164	1.8
405.11838	2.3
479.08215	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52795	1.5
53.03963	1.7
53.10078	1.2
57.03436	2.3
58.06597	6.6
60.30412	1.2
69.03437	18.7
70.06596	5.9
70.16599	5.3
72.08153	3.5
81.03402	3.4
84.04515	5.1
84.08138	2.7
85.02914	20.8
86.06071	73.1
86.09707	6.8
87.04479	2.3
91.05482	4.2
97.02899	6.4
98.06063	2.9
98.97579	1.8
104.07117	31.9
105.07027	4.6
107.04961	100.0
109.02892	3.7
110.07214	1.5
111.04434	1.8
112.04025	3.0
112.48083	1.3
119.04953	3.4
119.08591	1.9
120.05336	1.8
121.02866	10.4
121.21326	1.4
122.03207	3.8
123.04417	2.1
125.00675	1.5
127.03939	2.4
130.05020	4.5
133.06508	45.8
138.05519	2.5
139.03903	3.3
145.02840	1.8
145.06505	3.0
147.04420	2.0
147.08072	10.3
154.08652	15.8
163.03893	5.1
165.01776	1.6
172.09715	17.1
175.07600	5.9
177.01877	1.7
192.03944	1.5
199.14336	1.5
204.10229	12.8
207.02980	3.3
208.03055	2.2
222.11304	2.6
243.10233	1.7
248.06332	2.4
260.12830	28.6
260.15546	2.9
261.03955	2.9
271.88086	1.8
278.13876	64.0
280.06921	2.7
284.06366	2.0
294.08401	1.6
295.05811	6.4
295.08957	1.6
296.06555	9.8
296.14948	94.0
297.07263	2.7
298.07761	3.0
307.06015	5.0
308.06384	15.1
309.07083	6.5
310.07828	2.1
322.08057	4.6
323.08774	4.5
324.09415	2.0
325.07047	14.7
326.07410	44.2
334.08105	2.5
337.06958	5.9
338.07428	18.4
339.08041	1.8
350.07599	1.9
351.08652	2.9
352.08945	11.3
366.10471	5.8
368.08298	2.3
376.08914	3.4
379.08133	2.9
380.08484	27.6
392.08392	6.2
404.08426	8.1
410.09518	8.0
422.09653	13.2
440.10593	12.1
458.11685	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	458.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71712	0.6
56.96575	1.2
67.05495	0.8
70.06598	1.3
70.64842	0.7
71.54801	0.9
76.02254	0.7
79.05504	1.2
85.02911	1.0
86.31609	0.6
91.05463	0.9
93.07060	2.2
94.06543	0.7
96.04474	1.2
98.21192	1.0
98.97599	2.4
103.05488	6.4
107.04956	2.3
113.05989	0.7
120.08119	100.0
121.08438	0.9
122.06017	3.4
124.60832	0.7
127.03936	1.1
129.10124	0.7
131.04939	2.3
131.07101	0.7
135.21141	0.7
136.07593	5.7
138.05489	1.4
139.03918	1.5
140.01648	1.8
147.04485	1.2
149.05983	2.6
163.04021	1.2
164.07101	4.6
166.08658	53.9
167.08997	0.9
177.00751	0.8
178.67744	0.8
179.03413	0.7
182.08130	1.7
195.05891	1.1
210.63611	0.8
219.01779	0.8
229.06499	1.4
237.02933	0.9
241.06459	3.5
255.11359	1.2
256.09787	1.0
257.04596	1.0
259.07520	4.4
269.87228	0.7
296.15018	1.1
301.11966	2.1
302.10220	2.1
305.09378	0.8
319.12909	1.2
323.09784	0.7
440.14966	1.5
458.14105	1.1
458.21039	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01863	1.2
56.56099	0.4
56.96560	0.6
57.03433	1.9
57.45024	0.4
62.08878	0.4
65.03946	1.3
67.05520	0.9
68.99798	0.6
69.03428	0.9
70.06618	0.7
71.05000	0.5
71.55315	0.6
76.42716	0.4
79.05492	0.8
81.03410	0.8
81.07069	1.2
83.01325	0.4
83.04990	0.7
85.02906	2.8
86.03548	0.5
86.09711	0.9
87.04479	1.0
91.05499	2.0
93.03410	2.7
93.07048	1.0
95.04974	0.7
95.08618	1.4
95.68275	0.4
97.02903	0.8
97.04364	0.4
98.97590	0.8
99.04459	1.2
105.03417	0.8
105.07015	2.3
107.04950	0.9
107.08617	1.4
109.02910	1.2
111.04451	1.4
119.04944	3.6
119.08643	0.8
120.08121	0.7
121.02873	16.9
121.10168	1.2
127.03907	1.0
128.98648	0.4
131.08617	0.7
133.02834	0.7
133.06468	0.5
133.10124	4.3
135.04414	1.0
137.02348	0.8
137.05980	0.7
139.03902	1.1
139.62469	0.4
145.02856	2.4
147.04410	0.8
149.02388	0.7
151.03909	1.0
151.11128	0.5
153.88446	0.4
161.02344	2.3
161.09639	0.9
163.03853	2.0
165.01836	1.1
167.03458	1.0
173.02377	1.1
173.13347	1.4
175.03845	0.9
176.01117	2.4
177.01920	1.3
178.51476	0.4
179.03387	6.8
187.03915	1.1
189.01822	10.5
190.02565	1.8
191.03369	3.2
191.14372	1.6
193.04947	0.5
194.02190	0.9
195.03081	0.9
197.04478	1.3
201.01845	1.0
201.05467	0.8
203.03436	2.9
203.05164	0.8
205.04887	0.7
207.02892	7.9
209.15446	0.9
215.03448	0.7
219.02931	3.3
221.04460	1.3
223.07599	0.5
225.03920	1.0
229.04988	1.0
231.02921	2.4
233.04498	0.9
239.06882	0.5
247.02524	0.5
247.06030	0.5
251.07069	1.2
253.04585	0.5
255.06511	0.6
256.07001	0.5
257.04465	0.9
259.02252	0.5
263.06970	0.5
266.05496	0.4
266.23068	0.5
267.06595	2.6
268.07318	3.9
269.08041	1.7
275.05020	0.7
277.17749	12.5
278.05820	0.5
279.06598	4.3
279.19211	0.7
280.07285	1.8
281.08066	2.5
283.06055	2.7
284.06854	2.1
285.03928	0.6
289.20514	0.4
291.06427	1.0
292.07190	0.8
293.07922	2.5
294.05240	12.8
295.06042	14.2
295.09366	1.1
295.18854	1.4
296.06735	5.2
297.07590	21.2
298.08188	1.9
299.55157	0.5
305.08087	0.7
307.06012	35.4
308.06735	12.0
309.07516	5.8
313.06985	3.6
315.13477	0.9
316.13852	1.5
319.06036	4.6
320.06763	1.5
321.07544	6.7
322.05069	0.7
322.08356	3.4
323.05783	0.8
323.09171	1.3
325.07065	56.8
326.07739	8.3
327.08267	0.4
333.07715	0.6
334.04608	0.6
335.05673	2.3
336.06366	2.3
337.07062	51.7
338.07385	2.9
339.08588	3.6
344.92416	0.5
347.09311	1.2
349.07040	4.7
350.07736	1.4
351.04669	0.4
351.08649	9.5
353.06580	12.5
354.07303	2.2
355.08090	3.8
361.07184	1.1
364.09589	0.9
365.06161	2.4
365.10529	2.9
367.08176	6.0
375.08771	2.0
377.06592	4.2
379.03256	1.0
379.08142	19.5
380.08664	0.6
383.07761	0.9
391.08063	0.9
393.09735	7.3
395.07458	3.3
397.20901	0.8
403.08063	3.1
409.09131	1.3
411.10638	0.9
413.08713	0.5
421.09225	19.2
421.14908	1.0
439.10272	35.3
440.10684	1.3
457.11581	16.4
457.18344	6.4
457.24115	100.0
458.11575	0.9
458.24673	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71914	0.4
53.03936	0.7
54.57770	0.4
55.01869	1.1
56.96546	0.5
57.03424	1.5
65.03942	0.6
67.05500	1.3
69.03411	0.8
69.07057	1.1
70.06589	0.7
71.04990	0.5
79.05499	1.5
81.03413	1.0
81.07047	1.3
83.01373	0.6
85.02907	1.7
85.06525	0.5
86.09699	1.0
91.05486	1.6
93.03391	1.0
93.07014	1.2
95.04983	1.2
95.08634	0.7
98.20739	1.1
98.97575	1.3
99.04485	0.6
105.07027	3.1
107.04958	0.9
107.08582	1.1
109.02876	1.1
109.06512	0.6
116.24961	0.4
117.94579	0.5
119.04964	2.8
119.08563	0.9
121.02866	13.5
121.06546	0.6
121.10149	2.3
127.03928	0.5
133.10159	2.2
134.95811	0.5
135.04449	0.7
135.08084	0.7
137.02271	0.5
145.02859	2.3
147.04439	1.4
149.02350	0.9
149.09624	10.1
150.94252	0.4
151.03871	0.7
151.11150	0.6
158.99690	1.0
161.02362	0.6
161.09662	0.9
163.03889	1.5
165.01953	0.6
173.02393	1.5
175.03932	0.9
176.01099	1.8
177.01881	1.3
179.03394	2.8
181.04929	0.6
187.04048	0.5
189.01816	4.5
190.02649	1.0
191.03432	4.2
191.14323	2.7
194.02135	0.7
195.02859	0.8
201.01868	0.9
201.05511	0.9
203.03397	1.6
203.05273	1.2
207.02882	3.2
209.04431	0.7
209.15286	1.1
211.04045	0.4
217.01263	0.5
219.02876	4.0
223.02390	0.8
226.10596	0.6
229.05045	0.8
231.02914	0.8
235.07652	0.6
247.02422	0.7
255.11765	0.5
256.11600	1.0
259.02267	0.8
263.07040	0.9
267.06625	1.5
268.07336	1.4
274.81854	0.5
277.17761	8.9
279.06479	2.3
279.19409	0.7
280.07346	1.6
281.08127	3.8
281.13919	0.7
283.06033	2.1
284.06750	1.4
291.06598	1.2
293.08148	1.7
294.05228	14.6
295.06000	7.8
295.09161	0.3
295.18808	1.2
296.06897	2.3
297.07562	7.0
298.08444	0.9
307.06012	14.5
307.09558	0.8
308.06735	7.0
309.07568	5.4
313.07043	1.8
315.13458	3.6
316.13751	8.3
319.06067	4.6
320.06656	0.9
321.07626	3.7
322.08292	1.9
323.05652	0.7
323.09189	1.0
325.07077	23.1
326.07526	1.7
327.68399	0.5
333.07553	0.5
335.05685	1.6
336.06241	1.3
337.07065	41.8
338.07486	2.0
339.08658	1.8
341.06573	3.1
347.09207	1.1
349.07123	3.2
350.07877	0.8
351.04889	0.7
351.08713	5.3
353.06717	3.4
355.08066	8.2
365.06262	3.2
365.10538	2.7
367.08322	2.6
371.16840	1.1
375.08395	0.7
377.06494	5.8
379.08142	9.0
380.08301	0.5
381.06134	0.7
387.85812	0.5
391.08179	0.8
393.09662	5.0
395.07697	8.6
397.21118	0.9
403.08124	2.0
409.09259	1.0
411.10672	1.0
413.08859	1.1
413.17981	3.0
421.09116	7.9
439.10287	18.1
440.10696	1.0
457.11246	9.8
457.17422	5.3
457.24094	100.0
458.24475	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	457.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01864	3.1
56.96547	1.4
57.03434	2.6
61.02916	2.2
65.03938	3.6
67.05503	2.3
68.99815	1.3
69.03420	5.9
69.07067	1.8
69.19405	9.7
70.06586	2.8
70.79623	1.2
71.01336	1.1
71.04995	1.1
72.81920	1.3
73.02892	1.5
79.05476	4.1
81.03445	5.5
81.07049	4.2
83.04984	3.0
85.02904	11.8
86.09734	1.4
87.00858	2.1
89.22631	1.1
91.05493	6.7
93.03383	3.1
93.07021	2.3
95.04960	2.4
95.08596	3.3
95.67138	1.1
97.02898	2.5
97.06553	1.7
97.85063	1.1
98.20612	1.0
99.04454	1.6
103.03912	1.0
105.01886	1.3
105.03413	2.1
105.07035	6.1
107.04948	4.4
107.08569	2.0
109.02840	4.5
109.06514	4.5
110.79102	1.1
111.04463	2.1
117.06999	1.2
119.04932	12.0
121.02871	51.4
121.06451	2.4
121.10127	1.9
123.04486	1.7
125.06006	1.2
127.03934	3.7
129.07011	1.2
129.73190	1.2
131.08565	3.7
133.06476	2.6
133.10147	13.7
135.04440	2.9
137.02315	1.6
145.02853	5.8
145.10085	1.9
145.12140	1.1
147.04414	19.3
147.08003	1.4
149.02333	1.9
149.09599	2.3
151.03928	2.6
157.06561	1.3
159.02843	1.7
161.02373	4.4
161.05948	2.1
163.03900	3.4
173.02342	1.8
173.13300	8.9
175.03912	4.2
176.01091	2.9
177.01793	3.2
177.05505	2.3
179.03412	8.6
187.03879	3.6
189.01831	21.9
190.02534	4.5
191.03445	6.5
191.14360	6.5
194.02077	1.6
195.02963	2.1
197.04419	1.8
201.01776	1.6
201.05481	2.9
203.03394	11.6
203.05240	2.6
203.59711	1.0
205.04951	2.4
207.02896	13.6
209.11488	5.9
209.15407	2.3
215.03363	1.8
217.05020	1.2
219.02872	4.9
221.04437	2.6
229.04980	5.8
231.02850	3.1
233.04422	4.6
237.02664	1.4
239.03322	1.5
239.07086	1.4
247.05891	2.0
249.03833	1.6
251.07022	1.4
252.07857	1.5
257.04333	1.9
263.06961	1.4
266.05539	1.3
267.06537	5.5
268.07309	6.1
269.07974	3.4
271.11514	6.0
279.06528	8.1
280.07245	4.3
281.08084	5.5
283.06082	3.8
284.06851	4.6
291.06387	1.9
292.07172	1.9
293.07983	10.1
294.05289	21.0
294.08682	2.3
295.06046	31.6
295.09470	3.7
295.15500	1.9
296.06720	9.3
297.07574	17.0
298.08276	2.6
305.08179	1.9
307.06018	86.8
308.06741	35.5
309.07556	16.8
310.04922	1.5
312.06091	1.2
313.06964	6.8
319.06137	10.2
319.09464	1.6
320.06723	3.8
321.07587	33.1
322.04788	1.9
322.08289	8.9
323.05414	3.8
323.09149	7.9
324.06393	1.6
325.07074	90.0
326.07455	5.7
333.07651	4.7
335.05542	3.4
335.09128	1.9
336.06317	20.0
336.09894	2.1
337.07059	100.0
338.07437	4.6
339.08636	15.7
347.09048	9.6
349.07083	21.2
350.07782	4.1
351.08630	36.8
352.08997	1.6
353.06558	22.0
354.07230	1.6
355.08130	3.4
361.07190	2.5
363.08853	1.4
365.06415	9.4
365.10242	17.6
367.08157	20.5
368.08615	1.7
371.16779	6.4
375.08600	15.5
377.06537	11.4
378.07120	2.9
379.08163	43.1
380.08487	1.7
383.07367	4.0
391.07990	4.3
393.09668	33.9
394.10074	1.4
395.07742	11.9
403.08102	14.9
409.09167	3.2
411.10748	3.5
413.17780	18.4
421.09183	68.0
422.09396	3.4
439.10248	77.7
440.10559	4.8
457.11075	83.3
457.16937	37.0
457.24002	98.5
458.11371	4.6
458.17181	1.9
458.24460	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	457.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.7
55.01856	6.1
55.05514	7.5
56.96559	23.2
57.03436	10.5
61.02937	4.4
67.05497	9.3
69.03417	15.4
69.07063	6.9
70.66518	8.9
71.04998	9.7
74.31031	3.9
79.05489	13.3
81.03420	11.3
81.07053	13.6
84.96000	5.9
85.02929	23.0
85.06553	7.1
86.09707	8.0
87.00826	5.9
91.05474	18.2
93.07043	14.2
95.05015	4.7
95.08594	11.6
97.02882	12.6
98.97576	30.7
99.04452	16.5
99.08149	4.6
100.68173	4.5
101.00911	5.1
105.07034	51.7
107.08620	8.2
109.02865	11.5
109.06525	46.7
109.10174	14.1
110.97601	9.3
116.98606	12.5
119.01887	9.3
119.04978	4.6
119.08591	27.2
121.06464	6.0
121.10157	17.1
123.08060	9.4
124.03958	13.3
127.03927	12.0
131.00206	4.4
131.08586	12.2
133.06496	5.9
133.10150	59.5
135.08043	19.6
141.01872	4.5
143.08568	6.6
145.04961	6.8
145.06380	4.4
145.10109	9.8
146.93242	4.6
147.04404	5.3
147.06100	4.7
147.08072	9.5
147.11702	5.5
149.13286	7.2
151.11211	6.3
153.86139	4.2
159.02911	5.1
161.09618	43.1
161.13269	8.5
163.14886	5.4
173.13255	28.6
189.09119	10.5
191.14299	55.6
192.34212	4.3
209.15343	34.4
219.01804	17.0
227.09521	10.2
227.16452	8.8
237.02856	19.7
245.10675	13.4
269.10754	7.6
281.10782	7.5
281.13483	21.4
295.12424	4.3
297.07632	6.1
307.05902	6.6
325.07144	21.1
337.07056	11.2
371.13834	59.7
379.08380	6.1
389.14767	8.7
413.15146	35.5
415.19461	8.5
421.09116	10.2
439.10239	11.7
456.41357	4.5
457.14847	100.0
457.23801	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	457.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
55.01880	5.5
55.05522	3.6
57.03429	6.3
61.02925	4.3
67.05517	3.0
69.03436	19.1
69.07072	5.0
70.89549	7.1
71.04978	6.4
73.02911	8.2
79.05495	7.2
81.03430	24.2
81.07073	13.6
85.02914	48.0
85.06535	3.4
87.00846	17.8
91.05487	14.9
93.07042	11.3
95.04976	3.5
95.08619	7.9
97.02900	24.0
97.06558	7.4
99.04456	11.6
105.01870	18.0
105.07054	26.4
107.08599	10.6
109.02876	18.6
109.06526	100.0
109.10128	4.4
111.08085	3.1
117.06985	4.5
119.08591	12.4
121.10149	9.1
123.08093	4.3
127.03925	31.5
131.08569	23.6
133.09134	4.2
133.10141	82.0
135.08063	43.9
135.11745	4.7
136.30309	2.5
137.09729	3.1
137.25101	2.5
143.08549	3.4
145.04959	15.2
145.10167	6.3
147.02928	3.7
147.11690	6.2
149.09619	3.0
149.13277	5.7
150.10365	4.2
153.09131	4.6
158.10950	3.7
159.02898	13.8
161.09659	5.7
163.14850	7.5
173.13278	58.2
175.14891	3.6
191.14322	94.9
193.15950	3.2
195.10213	3.6
209.15353	20.8
231.04979	6.4
457.24332	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	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74743	0.8
53.03952	3.4
55.01873	2.2
55.05513	1.1
57.03433	2.8
61.02924	2.0
65.03954	1.6
67.05515	3.5
68.99772	1.4
69.03439	6.8
69.07074	1.7
70.06600	1.6
70.83128	2.8
70.83487	1.0
71.05003	2.8
72.08181	1.1
73.02937	1.2
76.27899	0.9
76.99073	1.1
79.05499	2.6
81.03443	5.3
81.07068	1.6
83.04985	1.9
84.04478	1.0
85.02906	16.9
85.06570	1.5
86.09710	1.3
87.00839	4.8
91.05497	5.9
93.03429	4.0
93.07052	4.4
95.04991	2.3
95.08617	18.9
97.02909	4.2
97.06536	4.4
98.97617	1.5
99.04470	3.7
105.01887	4.5
105.07037	14.4
107.04955	3.5
107.08614	4.9
109.02890	5.0
109.06506	2.0
109.10170	2.0
111.04436	1.0
115.05503	1.1
117.07005	1.2
119.04951	7.2
119.08626	4.4
121.02878	32.3
121.10164	4.3
123.04451	1.4
123.08063	2.3
127.03911	7.7
129.07011	1.0
131.04958	1.1
131.08574	5.7
133.02927	0.9
133.10141	100.0
134.10532	1.2
135.04433	2.6
135.08067	1.8
135.11697	2.3
139.03998	0.8
143.08589	2.2
145.02866	3.6
145.04967	1.8
145.10178	3.2
147.04477	1.2
147.11694	1.4
149.09619	2.4
149.13263	2.1
151.11191	1.8
158.10922	3.1
159.02977	1.8
159.04572	1.0
161.02296	2.0
161.09650	5.1
163.03951	2.7
163.14856	2.9
173.02356	2.3
173.13274	20.9
173.14668	1.5
175.03946	2.3
176.01073	2.0
177.01964	2.2
179.03410	7.4
181.05020	1.3
187.03806	1.5
189.01817	13.2
189.09172	1.9
190.02617	1.8
191.03441	4.0
191.14323	18.5
195.02954	1.8
197.04475	1.6
201.01872	1.0
201.05536	2.2
203.03412	6.9
207.02882	9.0
207.10303	2.1
209.15398	6.2
211.03922	1.1
219.02884	3.2
221.04427	2.6
229.05067	2.7
231.02916	1.6
231.05037	1.6
233.04549	2.1
247.02539	1.6
251.07155	1.8
257.04636	1.8
267.06607	4.2
268.07388	4.3
269.07956	1.3
279.06577	5.1
280.07349	2.5
281.05234	0.9
281.08096	5.2
281.13745	1.2
283.06110	3.4
284.06857	3.0
285.04056	1.2
291.06671	2.4
291.09918	1.0
293.05264	1.0
293.08011	4.6
294.05267	14.9
294.08524	1.0
295.06015	18.6
295.09210	1.2
295.15399	2.5
296.06729	6.1
297.07608	16.8
298.08289	2.4
305.08191	1.2
307.06015	48.5
308.06754	22.1
309.07544	11.0
311.83932	1.1
313.07108	4.7
316.13882	2.1
319.06070	6.7
320.06885	2.8
321.07614	19.8
321.11237	1.9
322.08334	6.1
323.05524	3.0
323.09311	5.9
325.07086	62.6
326.07770	4.0
333.07581	2.2
335.05673	2.5
336.06418	11.0
336.09995	1.7
337.07068	60.6
338.07562	3.0
339.08582	7.9
347.09161	5.0
349.07080	10.4
350.07910	2.7
351.08701	24.3
351.12814	1.8
353.06592	11.0
354.07480	1.3
355.08197	3.8
359.20212	1.0
361.07104	2.4
365.06445	5.9
365.10464	10.2
367.08212	11.3
375.08646	8.5
377.06445	9.0
379.08188	25.0
383.07675	2.5
391.08362	2.1
393.09714	18.3
395.07690	6.9
403.08154	7.8
411.10770	3.2
413.17896	4.3
421.09210	44.0
422.09470	2.0
439.10281	49.7
440.10977	2.0
457.11340	37.7
457.17142	3.6
457.24188	8.6
458.11658	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29894	2.1
53.03942	7.2
55.01862	9.7
57.03435	4.1
57.38442	2.5
61.02912	6.3
61.88156	2.4
67.05505	4.6
68.99805	2.7
69.03429	21.2
69.07068	7.2
70.84047	5.3
70.84382	3.6
71.04996	5.2
73.02921	6.9
79.05506	6.1
81.03414	22.6
81.07060	10.2
85.02916	46.3
87.00834	20.0
91.05489	13.0
92.66657	2.4
93.07046	13.4
95.04977	9.1
95.08598	12.8
97.02902	16.0
97.06528	8.2
99.04475	13.4
99.08071	4.3
105.01875	14.7
105.07044	38.6
107.08591	8.9
109.02888	21.1
109.05789	5.4
109.06526	87.1
109.10165	3.1
111.08089	3.4
115.03962	2.3
117.07069	3.1
119.08569	13.7
121.10175	6.2
123.08066	6.0
126.57829	3.0
127.03924	38.4
129.01871	4.0
129.07021	3.3
131.08554	34.7
133.10141	88.2
135.08054	35.1
135.11641	3.7
143.08604	6.1
145.04959	14.1
145.10120	16.9
147.11694	9.1
149.09666	5.4
149.13258	5.7
150.10451	3.6
151.76355	2.7
153.09123	5.8
158.10936	5.9
159.02928	12.7
161.09631	9.2
168.37805	2.5
173.11765	4.3
173.13275	89.8
175.14926	2.7
191.14316	100.0
209.15350	18.0
214.68860	2.4
219.37819	3.0
231.05083	7.2
439.10214	3.3
457.23746	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	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20670	1.4
53.03949	3.8
55.05519	2.8
57.03427	1.6
57.07073	1.9
57.80534	1.4
67.05509	3.1
68.51535	1.4
69.03439	51.9
69.07070	5.5
69.40037	12.2
70.20170	1.5
73.02940	3.4
79.05495	3.4
81.03412	4.5
81.07053	7.4
83.04980	6.0
83.08633	1.8
85.02911	21.9
85.06551	2.5
87.00841	11.4
88.98412	1.6
91.05473	3.7
93.07056	5.2
95.08613	11.9
97.02882	8.2
97.06538	5.1
99.04450	3.4
105.01865	6.2
105.07022	7.5
107.08613	16.5
109.02879	5.9
109.06515	7.3
109.10159	4.0
111.08088	5.2
119.08584	3.7
121.06504	3.0
121.10149	16.5
123.08045	5.4
123.11713	6.5
125.09650	21.3
126.86317	1.9
127.03913	10.6
131.08586	8.2
133.10132	7.5
135.08066	15.7
135.11707	5.5
143.08536	2.8
145.04987	5.2
145.10115	4.2
147.11720	5.7
149.09583	11.5
149.13252	4.6
150.10428	2.8
151.11183	2.1
153.09076	7.4
158.10924	3.4
159.02870	2.7
161.09610	1.7
162.76875	1.4
163.11191	4.0
163.14812	5.3
165.09212	2.2
165.12755	4.5
173.13275	25.8
176.11870	1.5
191.14322	100.0
192.14716	1.7
209.15382	95.5
210.15544	1.7
231.05022	2.4
293.17203	3.2
294.17584	2.9
295.17932	4.0
298.89902	1.7
337.82999	1.7
457.23636	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	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	1.0
55.01822	1.8
55.05480	1.4
57.03380	3.0
61.02882	1.6
65.03893	2.3
67.05434	2.4
68.99751	1.5
69.03362	5.6
69.07017	2.7
69.46712	0.7
70.06526	2.1
71.04939	1.8
71.55604	1.3
73.02870	1.0
79.05434	1.9
81.03417	5.2
81.07002	2.4
83.01304	1.4
83.04997	3.4
85.02912	9.8
86.09660	0.7
87.00758	2.6
91.05467	3.9
93.03401	3.8
93.06990	1.9
95.04905	2.1
95.08534	2.5
97.02889	3.3
97.06546	4.1
99.04398	1.1
105.01810	1.5
105.03325	1.4
105.07030	3.6
107.04920	1.7
107.08533	2.9
109.02877	4.0
109.06492	4.3
109.10105	1.4
111.04345	2.3
119.04925	6.2
119.08497	1.3
121.02872	28.2
121.03738	1.1
121.06415	1.2
121.10094	2.0
123.04367	0.9
123.08024	1.3
124.07554	0.7
125.09636	0.7
126.84707	0.7
127.03933	3.4
131.04843	1.0
131.08498	2.9
133.02757	1.5
133.10135	6.3
135.04367	1.6
135.07993	2.3
137.02296	1.4
137.05904	0.8
139.03810	1.3
139.07481	0.9
145.02863	3.7
145.04889	0.9
145.10089	1.1
147.04385	1.3
147.11606	1.3
149.02303	1.4
149.09621	7.3
150.50029	0.6
151.03876	2.0
153.08984	0.7
158.10841	0.8
159.02902	1.0
159.04318	0.8
161.02341	4.4
162.03026	0.7
163.03831	2.0
163.07545	0.8
163.11122	1.9
163.14778	1.5
165.01752	0.7
165.12555	0.6
167.03368	1.0
172.92126	0.6
173.02251	2.0
173.13266	5.8
176.00989	3.2
177.01793	4.2
179.02068	0.9
179.03410	9.4
181.08414	0.8
187.03940	1.5
189.00233	1.1
189.01816	13.8
189.12694	1.5
190.02548	2.0
191.03412	5.3
191.12717	0.8
191.14333	8.8
192.00526	3.1
193.65735	0.6
194.02119	1.4
195.02954	4.4
197.04424	1.0
199.11203	0.7
201.01801	1.3
201.03568	1.0
201.05376	1.2
203.03285	3.2
203.05247	2.3
205.01286	1.8
205.04889	1.3
206.01999	1.4
207.02896	18.6
209.15329	2.7
211.03952	0.7
215.03317	1.0
217.01292	1.1
219.02939	5.0
221.04311	1.6
223.02327	3.3
223.07526	0.8
225.03816	1.2
229.04869	1.9
231.02863	2.5
231.04930	0.7
233.04407	2.4
235.02283	2.6
239.06923	0.8
247.02341	1.9
251.06992	1.6
254.05769	1.3
256.07370	1.0
257.04419	1.9
259.02231	0.9
266.05624	1.4
267.06473	6.6
268.07300	8.0
269.07828	1.3
271.11478	2.1
277.17740	2.3
279.06573	8.3
279.19305	4.1
280.07242	2.2
281.08127	3.2
283.05988	3.7
284.06668	3.6
285.04059	0.8
285.07254	0.9
291.06360	1.9
292.07196	1.0
293.08115	3.4
294.05219	21.0
294.08673	1.2
295.06000	27.8
295.15341	2.5
296.06766	9.5
297.07553	14.9
298.08185	2.1
305.08035	0.8
307.05991	45.6
308.06763	13.3
309.04092	1.1
309.07553	7.3
310.04694	18.2
310.08234	1.4
311.05252	1.1
313.07040	10.5
319.06110	7.0
320.06686	1.8
321.04053	1.1
321.07523	9.9
322.04837	1.2
322.08267	4.3
323.05460	4.9
323.09125	1.8
324.06284	7.2
325.07059	86.7
326.07462	5.1
333.07629	2.1
335.05579	7.7
335.09198	1.4
336.06320	4.8
337.07062	49.2
338.07520	2.4
339.04980	2.2
339.08652	4.2
341.06546	13.6
347.05380	1.0
347.09070	4.6
349.07065	8.9
350.07761	1.7
351.04916	6.9
351.08688	12.3
352.05722	2.3
353.06558	100.0
354.06964	4.0
355.08142	5.4
361.07071	1.3
363.09000	1.0
365.06506	8.2
365.10391	4.1
366.07162	0.9
367.08105	7.0
375.08688	5.5
377.06564	5.9
379.08121	25.0
380.08139	0.9
381.05988	2.7
383.07669	2.6
391.08191	2.0
393.09680	9.6
395.07593	15.8
403.08157	4.9
409.09134	3.2
411.10696	1.5
413.08737	1.4
413.17813	1.0
421.09189	28.2
421.17938	1.2
422.09668	1.6
439.10251	62.8
439.19852	2.4
440.10599	3.4
441.12723	0.7
457.11279	47.3
457.24686	63.0
458.11606	2.2
458.24652	1.1
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
53.03939	2.9
55.01869	3.3
55.05501	3.5
56.96581	1.2
57.03428	4.0
61.02927	2.6
65.03938	3.2
67.05500	2.7
68.99787	1.8
69.03429	10.2
69.07067	6.1
69.49911	2.2
69.50320	4.8
70.06589	2.4
71.01381	1.2
73.02908	2.3
76.02206	1.0
79.01849	0.8
79.05498	4.8
81.03430	9.0
81.07057	2.7
83.04561	0.8
83.04981	6.5
83.14469	0.8
85.02919	11.3
86.09699	1.1
86.28630	0.8
87.00832	4.9
87.04472	1.0
88.63686	0.8
91.05479	5.6
93.03407	5.5
93.07052	3.4
95.04980	3.4
95.08624	3.8
97.02866	5.0
97.06544	6.8
98.20721	1.0
98.97587	1.3
99.04480	2.3
103.03943	1.4
105.01853	1.7
105.07030	5.8
107.04963	3.7
107.08604	3.1
109.02891	5.7
109.06520	8.2
109.10099	1.6
111.04467	3.2
111.08140	1.1
115.03911	1.5
117.07072	1.1
119.04945	9.1
119.08600	1.5
120.08131	0.9
121.02876	49.9
121.06500	2.7
121.10152	2.7
123.04436	1.2
123.08044	1.5
125.05988	1.0
127.03896	7.4
129.01830	1.0
131.08545	1.9
133.02910	2.0
133.06500	2.0
133.10153	7.6
135.04436	3.7
135.08051	2.5
137.09645	1.2
139.07558	1.3
143.08661	1.1
145.02831	5.8
145.05017	1.2
145.10135	2.2
147.04413	4.0
149.02386	1.6
149.09627	12.3
151.03966	1.4
151.11200	1.5
153.09106	1.0
159.02917	2.0
159.04362	1.1
161.02367	3.5
163.03935	3.1
163.11223	2.9
163.14847	1.6
165.01823	1.3
167.07042	2.1
173.02409	2.3
173.13297	3.4
175.03920	2.5
176.01064	2.6
177.01939	3.8
177.05524	1.3
179.03401	8.8
181.12296	1.5
187.03935	2.8
189.01837	20.6
189.12791	1.2
190.02557	4.1
191.03445	8.8
191.14319	5.8
194.02081	1.3
195.02972	2.6
197.04483	2.5
199.11333	1.0
201.01843	3.3
201.05486	2.6
203.03436	9.1
203.05208	1.8
203.14369	1.4
204.04225	1.2
205.01384	1.4
205.05052	2.9
207.02895	12.7
209.04285	1.0
209.11516	1.7
209.15448	1.3
215.03395	3.1
219.02937	8.9
221.04538	3.6
223.07571	1.1
225.03828	1.4
229.04945	5.5
231.02887	2.3
231.04987	1.3
233.04466	3.0
235.02225	1.0
239.06911	1.2
247.05911	1.5
251.07140	1.4
255.06517	1.3
257.04501	3.3
259.02582	1.2
266.05685	1.4
267.06436	5.1
268.07269	7.6
269.08011	1.7
279.06573	9.0
280.07327	3.6
281.05426	1.2
281.07993	6.0
283.06039	3.7
284.06906	3.1
291.06461	2.3
292.07401	1.9
293.08075	7.4
294.05240	24.0
294.08603	2.2
295.06033	30.9
295.09293	2.5
295.15381	1.3
296.06815	10.8
297.07611	19.7
298.08560	1.7
305.08026	2.1
307.06024	82.9
308.06781	39.2
309.07556	16.2
310.04666	4.4
313.06982	9.0
318.09021	1.4
319.05988	10.1
319.09540	1.0
320.06827	4.6
321.03888	1.5
321.07605	30.3
322.04871	2.0
322.08252	8.3
323.05496	3.5
323.09164	8.0
324.06421	1.1
325.07083	98.9
326.07513	6.1
329.08160	1.3
333.07602	3.9
335.05518	4.5
335.09143	1.3
336.06335	17.6
336.10059	2.7
337.07074	100.0
338.07529	3.3
339.04974	1.4
339.08667	14.2
341.06580	4.2
347.09158	8.4
349.07104	19.5
350.07925	5.1
351.05264	2.0
351.08688	35.1
353.06583	33.7
354.07043	1.2
355.08243	6.0
361.07138	4.1
364.09296	1.5
365.06470	9.6
365.10327	18.1
367.08191	19.9
368.08652	1.5
371.16776	2.0
375.08633	15.6
377.06635	10.2
377.10675	1.8
378.07126	1.4
379.08163	45.3
380.08633	1.3
381.06158	1.4
383.07620	3.4
391.08377	6.3
392.08813	1.9
393.09695	28.3
395.07657	11.9
403.08115	14.9
409.09149	3.5
411.10757	4.9
413.09131	1.3
413.18042	5.5
421.09192	60.3
422.09439	2.3
439.10263	77.5
439.18817	5.7
440.10681	2.5
457.11270	83.2
457.16681	4.9
457.24838	28.6
458.11493	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	457.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01856	1.8
55.05510	1.9
57.03443	8.6
61.02954	1.2
65.03944	3.1
67.05505	3.7
67.13290	1.2
69.03419	5.6
69.59100	9.5
70.06578	2.7
71.01337	2.8
71.04977	4.4
73.02899	2.8
74.45756	1.3
79.05508	8.4
81.03417	3.7
81.07056	3.7
83.01365	1.6
85.02904	11.3
86.09685	2.6
87.04474	1.5
91.05481	19.8
93.03416	2.8
93.07053	11.1
95.01315	3.1
95.04947	2.9
95.08617	2.1
97.02895	4.2
97.06546	1.6
98.97629	1.5
99.04460	17.5
103.03924	2.4
103.05436	2.6
105.07039	59.6
107.04961	3.5
107.08595	8.9
109.02902	1.7
109.06533	3.6
111.04411	3.0
113.02354	3.5
115.05487	1.7
117.07034	3.2
119.04948	7.1
119.07797	2.5
119.08585	28.9
121.02880	28.0
121.06483	5.8
121.10139	2.8
127.03912	1.8
128.06216	6.3
129.06990	1.4
130.07805	1.3
131.04996	1.6
131.08563	10.0
133.06506	7.3
133.10141	61.7
135.04417	2.1
135.08037	3.3
135.11635	1.9
139.03864	1.6
141.01848	7.5
141.51167	1.3
143.08572	15.7
145.02808	2.9
145.06429	3.6
145.10138	6.0
146.07320	8.7
146.08286	1.7
147.08073	26.8
149.02324	2.3
149.09564	1.7
151.03893	1.9
159.08043	3.9
161.02339	2.7
161.09630	100.0
161.49017	1.4
162.09969	1.6
163.03842	2.8
163.11153	3.1
165.01865	2.2
171.08104	2.1
173.08084	9.3
173.09517	2.6
173.13313	3.4
175.03932	3.2
176.01088	2.1
177.01855	1.8
177.09106	1.7
179.03423	5.9
179.10721	4.5
181.09993	1.6
187.07506	2.9
189.01820	12.2
189.09120	25.7
190.02576	1.6
191.03397	4.6
191.14278	4.7
195.02901	1.8
195.08069	1.8
203.03419	7.7
207.02995	7.5
207.10213	10.7
215.10706	1.4
219.02919	4.2
221.04451	3.5
229.04849	2.2
231.02939	2.4
233.04437	2.2
237.09013	2.4
241.08682	1.6
251.07066	2.1
253.14162	2.0
255.10254	3.0
257.04276	2.5
263.12820	5.5
267.06625	3.5
268.07291	5.5
269.08026	2.5
279.06519	5.2
280.07266	3.0
281.08408	3.6
281.13849	39.0
283.06161	1.9
283.09528	2.1
284.06763	2.9
293.08093	3.7
294.05225	17.4
295.06097	17.6
295.15106	7.6
296.06686	6.6
297.07574	18.5
298.08298	1.8
307.06024	52.9
307.09561	3.0
308.06750	18.9
309.07629	9.9
313.06958	5.5
319.05991	5.0
321.07620	15.1
322.08282	5.3
323.08945	2.0
325.07086	72.2
326.07669	5.6
329.10168	1.8
335.05573	2.2
336.06400	8.7
336.09857	2.1
337.07053	59.2
338.07501	2.0
339.08505	6.7
347.08893	2.5
349.06976	7.8
351.08694	18.5
353.06665	14.3
355.08014	4.9
365.06406	5.8
365.10089	6.7
367.08130	10.4
375.08566	6.0
377.06604	5.5
379.08105	24.7
391.08194	2.6
393.09732	16.5
395.07709	7.2
403.08243	6.6
411.10599	2.5
413.08804	2.2
413.17532	1.6
421.03784	2.3
421.09204	33.8
422.09497	1.7
439.10306	45.9
457.11465	31.8
457.17606	10.4
457.24417	62.3
458.11520	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	457.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
53.42362	0.4
54.02448	0.4
55.01852	1.3
57.03406	1.5
57.54583	0.4
61.02909	1.1
65.03944	2.5
67.05509	0.9
68.99765	1.2
69.03412	1.8
69.21307	3.4
69.21709	0.9
70.06612	2.2
70.06911	0.4
71.04976	0.6
73.02913	0.7
79.05458	1.6
81.03395	1.8
81.07024	1.7
82.22959	0.5
83.04964	1.0
85.02908	4.7
87.00825	0.5
87.04442	1.4
91.05481	3.9
93.03410	4.0
93.07032	1.0
95.04964	1.0
95.08588	1.6
97.02863	1.0
97.06529	1.1
98.97555	0.5
99.04422	0.8
103.03925	0.5
105.03363	1.0
105.07018	2.0
107.01305	0.5
107.04958	2.9
107.08562	0.8
109.02825	1.6
109.06491	1.5
111.00814	0.4
111.04430	1.9
115.05431	0.6
117.07056	0.4
119.04948	8.9
119.08581	0.7
121.02875	34.9
121.06409	0.4
121.10132	1.0
122.03168	0.9
123.04388	1.1
127.03860	1.3
131.04988	0.5
131.08572	0.8
133.02815	1.1
133.06453	0.9
133.10127	5.7
135.04395	1.4
135.08060	0.5
137.02341	1.0
139.03883	1.2
141.01866	0.6
143.08595	0.5
145.02849	3.9
145.04849	0.6
145.12164	0.9
147.04413	11.5
149.02328	0.7
149.09554	1.0
151.03902	1.9
158.99725	0.4
159.04384	0.9
161.02324	3.0
161.05933	0.9
163.03928	2.3
165.01834	1.2
167.03281	0.5
173.02330	1.4
173.06017	0.6
173.13280	1.9
175.03970	2.2
176.01073	2.9
177.01834	3.7
177.05428	1.4
179.03387	7.3
181.04933	0.5
187.03920	1.9
189.01839	15.8
189.05418	0.5
190.02617	3.0
191.03427	5.6
191.10405	0.6
191.14317	2.1
193.04945	0.8
194.02074	0.7
195.02850	2.1
197.04393	1.8
197.05991	0.7
201.01778	1.3
201.05463	1.2
203.03371	5.9
203.05252	1.3
204.04086	1.0
205.01379	0.5
205.04955	1.6
207.02888	11.3
208.03694	0.8
209.11423	1.8
209.15265	0.5
211.04079	0.7
213.01840	1.0
213.05502	0.5
215.03381	1.4
219.00984	0.6
219.02914	5.3
219.06441	0.8
220.03264	0.4
221.04373	1.9
223.07619	0.7
225.03770	0.9
229.05017	2.7
231.02898	2.7
233.04468	2.8
235.02374	0.7
237.05501	0.5
237.11052	0.6
239.03409	0.6
239.07170	1.0
240.07755	0.6
241.05052	0.4
243.06378	0.7
247.02393	1.8
247.06093	1.2
249.03915	1.1
251.07025	1.7
252.07822	1.2
253.04730	0.5
254.05734	0.5
255.06386	0.6
257.04419	1.7
259.02460	0.8
262.06326	0.5
263.07123	0.8
266.05539	0.7
267.06519	5.1
268.07336	7.0
269.05243	0.4
269.07953	2.3
270.05261	0.7
271.11557	1.2
277.14117	0.5
278.05704	0.8
279.06534	7.1
280.07346	3.2
281.05048	0.6
281.08127	3.8
282.05219	0.6
283.06033	3.3
283.08908	0.6
284.06775	3.6
285.03995	1.2
285.07196	0.5
291.06509	1.8
292.07224	1.3
293.04877	0.7
293.08102	5.8
294.05261	17.2
294.08649	1.7
295.06027	26.2
295.09396	1.8
295.15250	1.0
296.06754	8.4
297.07587	22.0
298.08322	2.5
303.04819	0.8
304.07260	1.1
305.08112	1.0
307.06018	56.8
308.06766	23.8
309.07510	8.8
310.04712	1.2
310.08087	0.7
311.09052	0.5
312.06131	0.7
313.06989	6.7
318.08817	0.5
319.06067	8.1
319.09622	1.0
320.06763	3.0
321.03809	0.8
321.07599	15.4
322.04776	0.7
322.08289	7.7
323.05505	1.9
323.09122	4.3
324.06213	1.6
325.07077	100.0
326.07657	7.5
331.06058	1.4
332.06650	0.6
333.07446	2.5
334.04608	0.7
334.08401	1.0
335.05484	4.0
335.09000	0.7
336.06287	7.6
336.10071	1.0
337.07065	76.1
338.07501	2.6
339.04935	2.6
339.08682	7.8
341.06570	0.7
347.05420	0.9
347.09177	5.4
349.07095	13.2
349.11398	0.6
350.07825	3.7
351.08676	24.6
352.09158	0.5
353.06583	30.2
354.07120	2.1
355.08212	4.3
357.07391	0.8
361.07169	1.4
363.08719	1.0
364.09253	0.7
365.06430	5.7
365.10291	7.7
366.06848	0.6
367.08170	10.9
371.07858	0.5
371.16837	3.7
375.08734	8.2
377.06564	8.3
378.07132	0.6
379.08154	42.5
380.08414	1.8
381.06018	1.1
383.07593	2.0
385.08932	0.6
391.07996	3.3
393.09698	16.1
393.14777	0.9
394.10065	0.7
395.07693	8.2
403.08154	8.9
403.13416	0.7
409.09198	4.8
410.05014	0.5
411.10791	2.7
413.08862	0.6
413.17764	8.5
421.09201	41.5
422.09439	1.8
439.10263	57.7
440.10455	2.8
457.11102	33.8
457.16995	13.8
457.24066	20.9
458.11401	1.7
458.17114	0.8
458.24377	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01878	9.6
56.60735	1.1
57.03445	6.4
61.02915	3.6
65.03931	2.9
65.95534	1.0
67.01855	1.8
67.11758	1.1
68.99798	1.1
69.03407	3.6
70.06585	2.1
71.01353	1.0
73.02902	2.0
79.05475	2.2
81.03426	6.2
83.01351	1.8
85.02437	1.5
85.02911	21.6
91.05473	2.5
93.03393	3.2
95.01327	2.2
95.04961	2.6
97.02898	8.2
103.03960	5.4
104.99309	1.0
105.03388	2.4
105.06991	2.6
107.04941	3.7
109.02883	10.3
111.04391	1.3
115.05477	1.9
119.04937	6.1
121.02877	34.1
123.04438	5.2
127.03917	2.1
128.06210	1.6
129.06966	4.1
131.04921	4.2
133.02852	1.3
133.06500	2.7
135.04410	3.7
136.70355	1.2
137.02379	1.3
137.06007	1.5
139.03897	2.8
141.06989	1.4
145.02821	4.7
145.05258	1.0
145.06458	5.5
147.04382	7.0
147.08170	1.6
149.02336	2.5
149.05917	1.2
151.03954	6.4
153.06947	1.1
157.06470	4.6
159.04439	6.6
159.08080	1.6
161.02298	2.5
161.06004	6.1
163.03922	10.3
165.05486	1.4
165.72467	1.1
167.03461	2.1
167.08482	2.5
169.05154	1.2
169.06482	3.3
171.04428	5.6
171.08076	1.9
173.02365	2.1
173.05975	9.3
173.29449	0.9
175.03911	13.7
175.07509	2.9
177.01820	3.5
177.05461	13.1
179.03375	3.0
181.05017	13.6
181.06462	2.4
183.04408	1.6
183.08090	1.1
185.05980	10.2
187.03923	11.0
187.07518	2.4
189.01862	5.1
189.05528	9.8
190.02652	1.3
191.03479	5.2
191.06958	3.1
193.04988	26.4
195.02878	3.2
195.08032	1.4
197.05978	5.4
199.03903	5.7
199.07532	4.2
200.04619	1.5
201.01828	3.9
201.05481	22.3
203.03423	1.3
203.07001	10.6
205.04970	27.7
207.02895	6.1
207.06429	3.1
209.06020	3.6
211.03851	2.7
211.07555	2.3
213.05486	11.9
215.03384	3.1
215.07062	5.4
215.75711	1.1
217.04967	24.5
217.08516	3.3
219.03079	9.3
219.06543	28.4
221.04378	4.8
223.03882	1.3
223.07607	2.6
225.05478	11.2
226.06238	1.6
227.03352	3.1
227.07007	11.1
229.04956	15.6
231.02863	1.6
231.06525	22.3
233.04440	5.1
233.07901	1.8
235.05943	11.2
237.05498	4.8
239.03410	2.2
239.07062	6.3
241.04961	13.2
241.08499	1.8
242.05695	1.5
243.02960	1.2
243.06543	21.0
245.04375	4.3
245.08148	15.1
247.06038	100.0
248.06154	1.7
251.06967	3.4
253.04921	11.1
255.06560	15.7
257.04404	6.9
257.08096	3.9
259.06055	66.0
259.14371	1.3
261.03796	1.8
261.07657	2.3
265.04904	3.7
267.06564	12.5
268.07263	3.5
269.04645	1.8
269.08011	6.0
271.06018	33.7
273.04745	1.1
273.07562	26.4
275.05582	2.9
277.04492	1.0
277.07120	11.6
279.06546	14.9
280.07132	1.7
281.04568	1.4
281.08002	3.0
283.06049	20.7
284.06766	1.9
285.04318	1.7
285.07559	21.3
287.05365	3.4
287.08920	1.2
289.07114	36.1
291.06372	2.3
293.07996	3.8
294.05359	7.2
295.05948	26.2
295.08582	1.4
296.06824	5.9
297.04340	2.1
297.07571	24.9
299.05487	4.1
299.08862	1.9
301.07092	83.6
302.07513	1.4
307.05325	22.9
307.08484	10.1
308.06747	11.2
309.07584	7.6
311.05649	2.3
311.09122	4.0
313.07004	76.8
314.07574	1.5
315.08624	6.6
319.08093	4.2
320.06622	1.4
321.07678	7.8
322.08377	8.8
323.05350	2.4
323.08887	3.1
325.06393	99.7
325.09457	24.8
326.07141	2.0
327.08557	1.6
331.08221	9.7
333.07428	1.8
337.06949	38.0
339.08456	3.7
343.08139	57.7
344.08347	1.6
347.08997	3.1
349.06989	5.7
351.08658	20.3
355.08142	22.3
361.09229	42.5
363.08640	1.9
365.10245	8.4
367.08194	14.9
371.17108	1.1
373.05121	1.6
373.09286	24.1
374.08984	1.2
375.08597	5.3
379.08511	37.4
385.09277	15.4
391.10489	32.9
393.09964	2.1
403.10410	18.8
409.09012	11.1
421.11044	23.2
439.11209	25.4
457.11285	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	457.1135
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
53.03939	0.3
55.01872	1.2
57.03434	1.5
61.02928	1.1
63.02386	0.2
65.03945	1.3
67.05497	0.3
68.99807	0.5
69.03431	0.5
70.05820	0.7
70.06595	0.4
71.01358	0.2
73.02915	0.6
77.03931	0.2
79.05501	0.5
81.03408	1.0
81.07070	0.4
83.01357	0.6
83.04981	0.3
85.02911	3.3
91.05482	1.5
93.03406	2.2
93.07037	0.2
95.04965	0.3
97.02906	0.6
98.20850	0.2
103.03949	0.8
103.05509	0.4
105.03400	0.6
105.07006	0.7
107.01337	0.2
107.04964	1.0
109.02882	1.8
109.06538	0.4
111.00841	0.4
111.04446	1.6
115.05475	0.5
117.07044	0.3
119.04955	4.8
120.05756	0.2
121.02875	26.3
122.03237	0.2
123.00873	0.2
123.04452	0.5
124.07615	0.3
127.03889	0.2
128.67223	0.1
131.04947	0.6
133.02879	0.7
133.06532	0.9
134.03668	0.2
135.04410	0.9
135.08121	0.1
137.02361	0.9
139.03902	0.6
141.01819	0.3
143.04953	0.6
145.02858	3.1
145.06519	0.4
147.04413	1.1
149.02335	0.4
149.06000	0.3
150.03088	0.3
150.88634	0.1
151.03888	1.1
153.01807	0.3
155.03392	0.2
155.04904	0.4
157.06459	0.3
159.04443	0.9
161.02353	1.8
161.05984	0.6
162.03174	0.2
163.03897	1.4
165.01814	1.1
165.05559	0.2
167.03477	0.2
168.04175	0.3
169.06465	0.2
171.04451	0.5
173.02336	1.3
173.05974	0.8
174.59924	0.1
175.00314	0.2
175.03909	0.8
176.01062	1.2
176.04718	0.2
177.01860	2.6
177.03281	0.2
177.05489	1.3
179.03418	3.9
179.04907	0.3
181.04959	0.4
183.02881	0.2
183.04446	0.4
184.05125	0.2
185.06010	0.4
186.03067	0.3
187.03938	1.9
188.04625	0.2
189.01831	6.9
189.05502	0.6
190.02638	2.0
191.03413	3.5
191.05006	0.1
191.07121	0.2
191.14426	0.1
193.05009	0.2
194.02177	0.3
195.02905	3.1
195.04581	0.2
195.06563	0.3
195.08112	0.2
197.04449	0.9
197.06055	0.5
199.03864	0.4
200.04715	0.3
201.01826	1.2
201.05478	1.5
202.02686	0.3
203.03394	2.2
204.04225	0.9
205.01509	0.2
205.04987	1.8
205.06665	0.2
207.02899	6.7
207.08145	0.2
208.03658	0.5
209.04428	0.3
209.06299	0.2
211.03889	0.8
213.01761	0.2
213.05473	0.4
215.03423	1.3
217.04988	0.7
218.02219	0.3
218.05865	0.2
219.02910	2.4
219.06572	0.5
221.00883	0.2
221.04483	0.5
223.07735	0.2
225.03889	0.9
225.05739	0.2
227.03481	0.4
228.04132	0.4
229.04973	2.9
231.02937	0.5
233.04442	2.7
233.06599	0.2
234.06848	0.3
237.05583	0.3
239.03441	1.3
239.07095	0.7
240.07719	0.2
241.04968	0.2
243.02985	0.4
243.06531	0.3
245.04544	0.5
247.05882	0.8
251.06981	1.0
252.07825	0.6
253.05008	0.3
253.08553	0.3
254.05844	0.7
255.02881	0.4
255.06587	0.6
256.03720	0.4
256.07263	0.3
257.04483	2.1
261.03998	0.5
262.06332	0.2
263.07074	0.5
265.05084	0.2
265.08536	0.3
266.05743	0.2
267.03455	0.3
267.06534	3.4
268.07312	5.2
269.07977	0.7
270.05127	0.2
271.06070	0.2
273.03790	0.3
277.08633	0.4
278.05838	0.2
279.06531	4.9
280.07300	2.0
281.04810	0.2
281.08118	2.2
282.05203	0.6
283.05963	2.0
284.06754	1.0
285.03967	3.0
287.07086	0.1
289.04990	0.2
289.08655	0.4
290.05707	0.2
291.06558	1.1
292.07376	0.6
293.04950	0.2
293.08090	4.7
294.01788	0.3
294.02808	0.2
294.05267	9.5
294.08725	1.4
295.06049	23.4
295.09558	1.9
296.06790	6.7
297.07578	7.9
298.08231	0.3
301.09000	0.2
303.04880	0.7
304.07278	0.9
305.08099	1.4
306.08975	0.5
307.06027	28.0
308.06787	15.9
309.04092	0.2
309.07587	3.7
309.11206	0.4
310.08273	0.2
312.06284	0.2
313.07095	3.8
317.08054	0.7
318.09021	0.8
319.06046	4.4
319.09689	1.1
320.06735	2.2
321.04272	0.3
321.07581	8.8
322.04919	0.6
322.08359	10.6
323.05515	2.2
323.09189	4.0
325.07068	100.0
326.07449	2.2
329.08167	0.6
331.06021	0.3
331.09717	0.3
332.06873	0.4
333.07584	2.5
334.08499	0.7
335.05447	0.6
335.09219	1.2
336.06296	1.9
336.10040	0.9
337.07071	42.0
337.10394	1.5
338.07495	1.3
339.05038	0.3
339.08716	1.6
345.07446	0.8
346.08426	0.8
347.09180	3.6
348.06238	0.5
349.07083	3.0
350.07944	0.8
351.08652	23.7
352.09018	0.5
353.06552	0.6
354.07111	0.2
355.08148	0.9
357.07574	1.6
360.06250	0.6
361.07037	1.8
362.07806	0.4
363.08746	1.5
365.06528	0.6
365.10254	10.2
366.10550	0.2
367.03604	0.1
367.08112	4.7
373.07236	0.9
374.07758	0.8
375.08679	5.4
377.06451	0.8
378.07565	0.3
379.08142	54.0
380.08636	1.4
385.07108	0.8
391.08163	13.1
392.08621	0.7
393.09647	2.1
397.09189	0.4
401.10205	0.3
403.08139	16.4
404.08344	0.4
409.09213	14.8
410.09451	0.3
421.09183	21.1
422.09564	0.5
439.10272	24.4
440.10617	0.6
457.11325	47.2
458.11615	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51719	2.7
55.05492	4.4
56.96558	3.9
57.03445	27.5
59.04987	9.4
61.02924	9.6
67.05500	7.4
69.03434	88.3
71.04987	3.9
73.02919	8.7
81.03419	13.3
81.07049	4.5
85.02909	95.8
87.04472	59.1
91.03947	6.1
91.05503	5.3
93.07036	6.2
95.08595	6.0
97.02898	78.8
99.04417	4.9
107.08616	4.5
109.02900	7.0
109.10165	6.9
115.03932	78.5
119.08564	3.6
127.03927	21.7
133.04968	100.0
145.04964	36.0
149.09608	2.9
150.07610	11.0
163.06015	8.8
171.13803	3.1
225.44754	3.2
267.08984	4.1
268.09366	3.6
457.37057	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	457.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.8
55.01877	1.4
55.05486	0.2
57.03433	1.7
65.03938	2.1
67.05481	1.2
68.99780	0.9
69.03393	0.9
69.31328	0.2
70.00227	1.2
70.06553	0.4
70.95689	0.2
71.04960	0.9
73.02908	0.3
77.03934	0.4
79.01820	0.3
79.05463	0.7
81.03413	1.4
81.07048	0.6
83.01313	1.0
83.04948	1.0
85.02912	4.1
87.00822	0.7
87.04462	1.9
91.05488	2.4
93.03404	4.7
93.07038	0.4
95.04952	1.5
95.08592	0.5
97.02873	0.9
97.06532	0.3
97.44281	0.2
98.20834	0.5
98.97562	0.5
99.04446	0.9
105.01821	0.3
105.03384	1.4
105.07002	1.0
107.04950	1.6
107.08574	0.5
109.02865	1.4
109.05917	0.3
109.06532	3.9
111.04431	2.3
115.05476	0.5
117.03389	0.4
117.07003	0.3
119.04117	0.3
119.04945	6.4
119.08565	0.4
121.02871	28.2
121.10107	0.4
123.00761	0.3
123.04418	0.7
127.03900	1.4
129.03250	0.3
131.04903	0.4
131.08536	0.7
133.02838	1.6
133.10130	2.7
134.03627	0.4
135.04442	1.8
135.08025	0.3
137.02338	1.5
139.03883	1.3
141.01791	0.4
143.08583	0.3
145.02852	5.1
145.04840	0.3
145.06451	0.5
145.10074	0.5
147.04335	1.4
147.11691	0.3
149.02316	1.3
150.03065	0.4
151.03897	2.3
153.01836	0.7
153.09077	0.4
155.03320	0.4
155.04796	0.4
159.04379	0.8
161.02339	3.7
161.05884	0.4
162.03119	0.5
163.03903	2.6
165.01839	1.4
165.06946	0.3
167.03377	0.9
168.04114	0.7
169.04878	0.3
169.06320	0.3
173.02296	1.8
173.05939	0.3
173.13257	2.0
175.03915	2.1
176.01024	3.6
177.00751	0.3
177.01872	2.7
177.05405	0.9
179.03397	12.6
180.04211	0.4
180.91061	0.2
181.04962	1.0
185.02321	0.3
185.18182	0.3
187.03867	1.8
189.01825	17.1
190.02574	3.5
191.03391	6.5
191.14296	2.4
192.04031	0.4
193.04898	0.6
194.02078	1.6
195.02957	1.3
195.08031	0.5
197.04420	2.5
197.06020	0.6
201.01831	1.5
201.05498	0.7
203.03409	5.1
203.05215	0.5
204.03957	0.3
205.01215	0.4
205.04906	1.1
207.02884	13.9
208.03568	1.0
209.04434	0.7
209.15376	0.8
211.04041	0.3
213.01727	0.8
213.05397	0.3
215.03423	1.0
217.04977	0.6
218.02116	0.3
219.02925	6.0
219.06435	0.6
221.04445	1.8
223.07729	0.4
225.03809	1.7
225.05782	0.5
227.07118	0.4
229.01334	0.6
229.04935	1.7
231.02902	2.8
233.04498	1.9
237.03775	0.3
239.03374	0.6
239.07085	1.2
240.07866	0.4
241.04826	0.4
243.02872	0.5
247.02367	1.2
247.06053	0.7
249.03998	1.0
251.07114	1.8
252.07585	0.6
253.08466	0.4
254.05800	0.8
255.06461	1.1
256.07220	0.4
257.04431	1.0
259.02371	0.8
259.06021	0.4
263.07047	0.7
266.05704	0.5
266.12115	0.3
267.06552	6.0
268.07297	6.9
269.08121	3.5
270.05231	0.7
270.08603	0.6
275.05475	1.0
277.11407	0.3
277.17688	0.6
278.05695	1.0
279.06522	8.5
280.07260	3.3
281.08118	4.7
282.05136	0.6
283.06003	3.7
284.06732	3.6
285.03918	1.0
291.06528	1.9
292.07184	0.8
293.04916	0.6
293.08023	3.8
294.05246	24.0
294.08533	1.0
295.06015	22.5
295.09213	0.8
295.18155	0.3
296.06769	7.1
297.07574	42.2
298.08212	4.5
304.07150	0.5
305.08060	0.7
307.06009	61.8
308.06760	21.6
309.07553	9.8
310.08136	0.6
312.06229	0.5
313.07025	6.9
319.06055	9.0
319.09503	0.7
320.06686	2.4
321.07587	10.8
322.04733	0.4
322.08246	4.8
323.05423	1.3
323.09158	2.1
324.06372	0.5
325.07062	100.0
326.07761	14.9
327.08151	0.6
331.06024	0.4
332.06778	0.6
333.07385	1.7
334.04672	0.9
335.05521	4.6
335.09158	0.4
336.06277	3.4
336.09863	0.5
337.07056	94.1
338.07477	2.7
339.08606	4.2
341.06595	0.5
346.07806	0.4
347.05417	0.5
347.09131	2.2
348.06229	0.3
349.07086	8.3
349.11398	0.4
350.07739	2.1
351.08633	14.3
352.08994	0.4
353.06570	22.3
354.07281	3.1
355.08136	8.2
358.06958	0.5
361.07001	1.7
363.08771	0.7
364.09341	0.9
365.06436	5.2
365.10321	4.2
367.08121	10.6
368.08173	0.4
371.07550	0.9
375.08603	2.8
377.06589	9.5
378.07291	0.6
379.08139	26.9
380.08475	0.5
383.07608	1.5
385.09268	0.5
391.08005	1.5
392.08981	0.4
393.09698	13.6
394.09955	0.4
395.07651	4.6
403.08136	3.7
409.09326	1.7
411.10831	2.1
413.08597	0.8
421.09183	32.1
422.09418	0.9
439.10245	56.2
440.10556	1.9
457.11188	19.8
457.18045	4.3
457.24084	19.6
457.28922	0.3
458.11334	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62461	1.9
51.72406	2.3
55.01869	2.4
56.96573	5.0
57.03432	2.0
58.37853	1.8
58.99587	5.0
67.05499	3.7
69.03433	4.3
70.06593	11.1
71.04988	9.7
71.47691	2.0
71.55406	2.4
72.08148	1.8
73.77873	1.7
83.04973	2.8
84.96027	3.0
85.02927	16.1
86.00663	5.5
86.06095	2.0
86.09710	2.5
86.13062	2.1
86.99041	3.0
91.05492	4.1
95.04956	5.0
97.02878	3.0
98.97585	4.5
100.02201	6.5
101.29187	2.2
107.05019	2.2
109.02839	3.5
113.06018	2.5
116.98653	2.2
119.04953	3.1
121.02855	2.3
122.06035	3.6
123.04445	2.5
124.07562	4.7
127.07649	2.3
129.05470	5.0
131.07066	22.7
136.07613	9.0
145.04897	5.0
145.08574	2.3
146.02699	7.6
147.04410	8.9
148.03847	3.3
150.05536	2.4
158.09659	2.1
160.07524	5.8
161.07112	2.4
162.05489	8.2
164.07065	6.4
166.03200	6.3
168.33069	1.9
174.09221	3.0
184.00647	3.0
184.07588	5.9
186.09142	5.6
187.08652	4.0
188.07062	3.0
194.02711	8.5
195.01094	4.7
198.09261	3.6
199.08698	3.2
201.10188	13.7
202.08688	5.8
208.06039	2.3
211.08727	2.7
212.07132	4.4
212.09438	3.4
215.08209	7.2
217.09706	2.5
223.59566	2.4
225.10190	4.0
227.08160	6.2
227.11784	5.1
229.09741	52.0
230.08148	16.7
230.10085	3.2
239.04884	2.6
240.03148	10.6
240.09018	4.8
241.09680	7.3
242.10567	2.9
243.11348	5.8
253.09592	3.0
255.11288	24.6
257.09286	19.0
258.04358	7.0
258.07675	7.9
266.14883	2.6
270.12375	2.6
271.10861	13.1
272.09235	3.3
273.07028	3.3
275.10339	25.0
276.08691	7.9
282.12363	2.4
283.10803	7.2
285.06909	2.8
287.08435	3.1
288.07468	2.5
294.09460	3.1
299.10645	10.4
300.08591	11.5
301.11847	33.8
307.06052	4.1
314.09491	5.1
315.07977	4.2
317.11459	11.7
318.09674	4.0
325.07092	10.2
333.09201	3.8
333.13312	3.4
335.12323	4.8
337.06876	3.3
344.01575	2.3
348.10049	6.0
349.08051	2.3
360.10162	4.8
362.00809	2.2
379.08063	5.7
390.11520	2.8
395.15338	3.7
402.11139	12.9
403.09393	4.8
420.12280	100.0
421.10727	10.3
438.13431	12.4
438.19095	2.7
439.11526	11.4
456.10052	3.1
457.11398	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	455.2068
Annotation	1-Hydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-3,6,7-trimethoxy-2-(3-methylbut-2-enyl) xanthone
Peak:m/z	Relative Intensity
55.01867	2.9
55.05508	6.2
56.96565	5.1
57.03458	1.1
57.07088	2.0
59.05002	1.8
61.02932	2.3
67.05509	20.8
69.03444	4.0
69.07066	4.0
71.04993	4.6
71.37328	1.8
79.05505	7.7
79.79224	1.2
81.03426	5.9
81.07059	11.5
83.04993	3.1
83.08625	4.4
85.02900	3.3
85.06537	2.5
91.05479	7.1
93.07062	8.9
95.04980	3.0
95.08616	8.5
97.02881	3.3
97.10162	2.7
98.97590	1.5
103.05490	2.7
105.07023	7.8
106.90125	1.4
107.05000	1.7
107.08609	7.8
109.02897	2.1
109.06522	1.5
109.10172	15.1
111.04454	2.2
111.08086	2.1
117.07018	3.4
118.04169	2.9
119.04984	1.7
119.08575	9.6
121.06510	11.5
121.10163	5.7
123.08060	5.3
123.11678	1.3
125.09633	2.2
127.03946	2.2
127.07521	1.7
129.07027	1.9
131.08568	4.4
133.06500	25.3
133.10106	5.5
135.08055	18.2
135.11713	6.1
137.09648	3.3
145.10086	2.4
147.04370	1.6
147.08096	6.9
147.11717	3.5
149.02342	3.2
149.13271	4.2
151.07542	4.3
151.11250	1.6
153.05536	1.3
157.10167	1.7
158.99548	1.4
161.05992	100.0
161.13324	3.4
162.06474	1.9
163.11189	3.8
165.01892	3.9
165.09117	29.6
167.03484	1.7
169.01279	1.5
171.11702	3.5
173.11771	2.2
175.07588	5.6
177.01843	4.7
177.09050	1.6
179.06941	1.9
183.02914	1.9
187.07553	2.0
189.01875	5.4
189.05461	2.3
189.11295	1.7
189.12787	5.4
191.14406	2.3
193.08624	4.9
195.02898	10.1
199.11247	1.9
200.08179	1.7
203.07060	3.5
205.08698	1.4
207.02940	2.4
207.13779	5.2
213.07872	1.6
215.07101	3.0
215.10735	1.5
217.12268	13.7
219.06577	3.2
229.05011	2.6
231.06609	11.9
233.08017	1.8
235.13304	10.0
237.07774	1.9
243.06546	7.9
247.05995	2.4
249.07619	19.0
259.13260	3.6
260.06802	2.0
261.07578	3.3
265.06992	1.8
267.08792	8.1
269.10611	3.6
275.12778	1.5
279.08679	5.0
285.11258	18.1
303.12305	20.2
315.11270	1.7
316.11807	3.9
321.13391	5.5
376.13245	3.5
383.14951	24.2
391.19144	1.6
393.20523	1.9
395.14792	2.2
419.18539	24.3
437.19656	39.6
437.25784	2.0
455.09711	2.2
455.20865	9.1
455.26437	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	455.2067
Annotation	20,22-Dihydro-22,23-epoxywalsuranolide
Peak:m/z	Relative Intensity
53.03949	2.5
54.72459	1.9
55.01866	2.6
55.05499	6.1
56.82365	1.7
56.96577	2.4
59.04987	5.1
61.02919	3.1
67.05176	2.4
67.05505	31.9
68.22193	2.2
68.99780	3.5
69.03407	2.6
69.07058	6.7
71.04993	10.0
71.55602	2.6
73.02914	2.3
79.05495	13.8
81.07065	22.4
83.04971	3.0
83.08626	2.5
85.02887	3.0
85.06561	2.6
87.92836	1.7
91.03960	1.7
91.05506	11.2
93.07050	10.5
95.04958	4.0
95.08611	6.2
97.06513	3.1
103.05462	2.0
105.07017	7.7
107.04957	2.4
107.08588	5.5
109.06499	2.1
109.10164	16.9
111.08046	1.8
118.04173	5.8
119.08615	3.8
121.06525	10.6
121.10179	4.3
123.04409	2.1
123.08089	2.3
123.11679	2.8
125.51323	1.8
131.08543	2.8
133.02818	3.1
133.06497	30.3
133.10132	5.7
135.04445	2.9
135.08086	4.3
135.11687	1.9
141.94753	2.2
147.04405	3.3
147.08032	3.5
149.05919	2.9
151.11151	2.8
161.02348	4.8
161.05989	100.0
162.06322	3.2
169.01399	3.9
173.03891	1.7
173.05969	2.7
173.11729	5.4
177.05475	2.1
179.03383	1.9
183.13863	2.2
189.01869	17.5
189.12807	1.8
201.05508	2.3
201.12784	2.6
203.06964	4.2
205.05031	3.1
207.02902	15.5
207.06425	2.1
215.10655	1.8
217.12253	3.9
229.05026	3.2
245.07976	2.3
246.52585	1.7
247.06061	9.9
251.09245	2.0
269.10550	4.2
275.12833	4.1
285.11166	5.1
301.13281	4.3
303.12292	7.1
323.09167	15.8
335.12796	2.5
341.13724	2.3
363.12192	2.2
379.15344	6.9
391.19418	2.3
411.27393	5.0
455.29871	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	455.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.9
55.05510	0.7
56.96558	0.5
57.03431	0.5
57.07062	0.5
67.05517	2.4
68.99794	3.7
69.03429	0.9
69.07069	3.3
69.49511	3.3
71.04998	3.1
72.84112	0.4
73.30858	0.5
79.05491	4.6
81.07061	2.5
83.01347	1.2
83.04960	0.8
83.08601	0.5
90.04694	0.6
91.05465	2.3
93.03397	0.5
93.07038	3.5
94.23158	0.5
95.04966	1.5
95.08595	1.3
97.02879	0.6
97.06513	0.8
99.00838	0.6
103.05469	2.2
105.07037	4.4
107.04958	2.6
107.08585	0.9
109.02882	1.9
109.06514	2.6
109.10165	1.0
111.64195	0.5
113.06023	9.2
116.69901	0.4
117.07050	0.8
117.35980	0.5
118.04160	3.6
119.08578	1.3
120.05725	0.5
121.06518	3.3
123.08058	0.5
125.02345	1.3
131.08585	0.7
133.06502	34.1
135.04430	0.5
135.08063	4.3
137.06015	2.7
143.08557	0.8
145.06458	0.7
147.04416	0.6
147.08020	0.9
149.02411	0.8
149.05940	1.1
151.00282	0.7
151.07562	5.0
153.01842	0.7
155.07111	1.1
158.07196	0.5
159.08179	0.5
160.05197	0.7
161.05989	100.0
162.06293	1.5
165.09201	0.8
167.07034	1.6
169.01270	2.3
171.11792	0.6
173.06003	0.6
175.07494	1.2
177.01825	3.3
179.01122	0.6
179.07037	5.6
181.01283	2.6
181.08649	1.2
185.05988	1.2
189.01880	2.1
189.05499	0.9
189.12723	1.1
191.07095	0.9
193.01369	0.6
193.04988	0.8
195.02861	3.6
197.08139	1.8
199.02444	1.9
199.11243	0.6
201.05467	0.7
203.07042	19.3
205.04965	4.9
207.02887	0.7
207.06534	0.6
207.13814	0.8
217.04941	0.7
217.12276	1.2
219.06564	1.7
221.08055	2.5
223.06026	2.0
229.04935	2.8
231.06483	3.2
233.08116	4.9
235.06038	3.6
235.13322	6.1
237.07549	1.2
247.06013	6.0
249.07596	1.1
251.09151	2.0
253.07109	2.7
253.14363	11.9
259.13269	0.5
261.11163	2.6
265.07065	5.9
269.08243	0.6
270.67975	0.5
277.14297	0.6
283.08102	3.1
285.07678	0.8
285.11130	1.5
303.12280	5.1
309.11261	1.0
311.09256	1.3
315.08612	0.6
321.13461	1.5
339.14398	2.1
363.12381	1.6
381.13455	1.6
387.13968	1.2
399.14410	11.7
419.18683	0.6
437.19464	1.2
455.20618	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	455.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03484	2.2
51.54257	2.6
54.39562	2.6
55.01865	6.1
57.07079	4.7
67.05494	9.3
68.99788	6.4
69.03402	3.2
69.07068	12.1
69.63982	13.6
71.04992	22.2
72.32105	2.4
79.05482	6.0
81.03407	3.6
81.07059	9.0
83.01328	10.0
85.06515	5.7
89.13063	2.6
91.05466	4.9
93.07037	6.0
93.64547	2.4
95.04935	7.2
97.06525	7.6
98.20845	5.3
105.07026	15.1
107.04948	6.9
107.08589	2.5
108.98695	3.1
109.02903	13.5
109.06501	8.6
113.06013	81.5
121.06519	10.3
123.04414	6.4
133.06494	71.3
134.55261	2.5
135.08057	24.4
137.05962	5.1
139.07474	4.4
145.06505	2.9
147.04448	5.8
147.08011	3.9
149.02284	2.7
149.05933	4.4
151.00293	5.6
151.07568	33.3
161.05974	70.5
165.01860	5.3
169.01353	16.3
177.01842	29.4
179.03287	3.0
179.07011	4.6
181.01370	17.6
189.01787	12.0
189.05493	6.4
191.07033	3.4
193.04942	8.0
195.02885	22.5
199.02365	9.7
201.05458	3.1
205.04948	55.2
207.02859	7.6
207.06464	3.8
217.04945	9.4
219.06456	6.3
223.05972	14.2
229.04979	38.5
231.06541	32.9
233.08131	41.8
235.06079	28.0
237.07547	8.6
247.06035	57.7
249.07625	9.0
251.09161	10.8
253.07037	20.1
261.11230	20.2
265.07095	46.6
269.08145	3.4
271.08072	4.1
283.08047	30.3
285.07919	4.3
285.11234	9.0
303.12289	36.9
309.11133	4.4
311.09012	2.8
321.13428	12.3
339.14554	14.3
363.12122	8.5
365.13870	3.5
381.13226	6.4
387.14218	9.5
399.14395	100.0
455.20905	23.0
462.85144	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	455.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40871	1.5
55.01858	1.7
55.21572	1.7
61.04935	1.7
63.98890	1.6
67.01862	3.0
67.05511	5.0
68.99789	7.4
69.07069	4.1
69.82897	3.7
69.83315	5.8
69.85653	1.6
79.05515	3.2
81.07051	4.7
83.01352	28.5
91.05454	2.2
93.07028	3.2
95.08618	2.2
97.02896	1.6
98.20726	2.1
103.60982	1.8
105.07021	3.3
107.08603	1.7
109.10148	2.4
109.53748	1.8
115.51177	2.0
116.42096	1.7
121.06536	4.9
123.11722	2.4
124.49627	1.6
133.06490	14.0
134.07201	1.8
135.08075	16.8
139.93372	1.8
151.07587	3.4
153.01823	6.0
161.05998	35.3
169.01320	3.0
181.01328	100.0
182.01657	2.1
189.05331	2.5
193.01202	1.9
199.02391	69.9
201.36671	1.8
207.02879	3.1
217.05011	2.1
221.08159	3.5
235.06027	28.7
237.07658	7.7
247.05966	2.6
253.07184	3.1
291.19241	2.6
303.12277	4.0
315.08633	64.4
321.13361	4.1
369.13480	4.9
371.14856	12.9
387.14658	3.0
444.73264	1.7
455.24307	13.9
456.24622	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.9
55.05505	2.1
57.07080	1.8
58.29757	1.9
59.05014	2.7
64.22797	1.6
66.30361	1.7
67.05503	9.4
67.87237	1.4
68.83798	1.5
68.99791	3.5
69.03419	2.7
69.07071	9.4
69.50195	13.0
71.04996	19.9
73.22290	1.5
79.05515	9.7
81.07064	32.1
83.08609	2.3
91.05473	7.2
93.07053	13.3
95.04956	4.6
95.08618	9.9
97.06525	6.7
98.21478	3.7
103.05487	3.0
105.07034	11.6
107.04949	3.6
107.08564	3.0
109.06525	4.3
113.06019	34.4
115.05444	2.2
117.07021	2.5
118.04151	2.5
119.04910	3.1
119.08578	12.1
120.35487	1.7
121.06517	22.7
121.10200	2.3
123.08085	3.9
125.06010	2.4
127.07522	2.2
129.07018	2.6
131.08569	4.2
133.06491	32.7
133.10153	4.7
135.04390	3.8
135.08110	9.5
139.00340	2.1
139.07498	6.6
140.95026	1.9
145.06488	4.5
147.08043	7.2
147.11667	3.1
149.02379	2.6
149.06015	16.9
149.09634	4.3
151.07549	14.6
153.01877	4.5
156.09349	2.0
159.08076	3.0
161.05995	100.0
163.07552	3.8
165.01901	4.5
165.05383	2.0
165.09166	5.2
167.03394	1.9
169.01366	2.7
171.11725	6.6
173.06082	2.1
175.03893	4.6
175.07574	2.9
177.05508	2.7
177.09126	40.0
187.07599	2.2
189.05429	4.7
189.12761	41.9
191.07050	21.7
193.01349	2.4
193.04919	2.0
195.06575	2.5
199.11238	4.7
203.07022	6.7
205.08675	3.1
205.12010	2.0
207.06473	3.7
207.13820	45.4
209.08086	2.8
215.07065	11.9
215.10634	2.0
217.05005	13.0
217.12239	9.9
231.06471	3.3
233.08138	17.2
235.06020	28.1
235.13245	4.8
245.08122	2.7
247.06096	3.4
251.09238	5.2
253.07120	9.5
257.11636	3.8
265.07117	3.0
275.12759	2.5
285.11176	27.9
303.12271	49.8
321.13336	65.8
321.17123	3.4
322.14008	2.1
325.14374	3.4
339.14389	62.3
340.14667	2.3
349.14377	5.4
351.12280	9.6
419.18546	17.1
426.27856	2.0
437.19492	4.5
455.20700	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	455.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01862	5.2
55.05504	3.5
56.96548	2.1
67.05505	10.3
68.99787	5.8
69.07076	10.5
70.81821	1.7
71.04992	18.8
71.55299	2.2
77.72634	1.5
79.05493	8.6
81.03407	2.2
81.07061	30.6
83.04982	2.1
85.02871	2.9
85.06584	1.9
88.40639	1.9
91.03917	2.0
91.05473	5.9
93.07047	18.0
95.04979	4.4
95.08613	8.9
97.02879	1.8
97.06511	3.8
98.97590	3.2
103.05444	2.9
105.07018	9.4
107.04940	4.1
107.08571	5.5
109.02863	1.7
109.06509	4.8
109.10140	3.1
113.06012	24.8
115.05470	2.3
117.06989	3.8
118.04127	2.2
119.08576	6.8
121.06503	20.3
121.10129	2.3
121.34501	1.5
123.04433	2.0
123.08099	4.3
125.05965	3.2
131.08557	3.5
133.06499	28.9
133.10135	3.6
135.04359	2.7
135.08081	10.9
135.11670	1.8
137.06012	2.1
145.06480	3.6
147.08072	3.6
149.02399	4.6
149.05971	15.5
151.07552	17.8
153.01817	5.0
161.05984	89.4
162.06436	1.6
163.03960	2.4
163.07506	3.4
164.82718	2.0
165.09123	4.7
167.03400	4.6
169.01324	3.1
171.11742	1.8
173.06018	1.9
175.07542	2.5
177.05522	2.6
177.09094	9.8
179.06963	1.7
181.01300	1.6
189.01974	2.0
189.05489	6.0
189.12729	4.7
191.07030	39.1
193.01329	4.3
195.02945	2.4
199.02495	2.5
203.07048	6.4
205.04941	2.3
205.08562	4.0
207.06488	3.9
207.13844	21.3
209.08121	2.7
215.06978	2.6
217.05040	8.8
217.12308	2.9
229.04872	3.2
229.12128	1.8
231.06482	3.5
233.08080	22.1
235.06030	35.8
235.13245	3.1
237.07677	2.7
247.06003	6.2
251.09137	7.7
253.07091	4.3
265.07123	7.1
285.08481	1.6
285.11172	9.6
285.14304	1.4
303.12262	27.5
321.13330	100.0
325.14276	3.6
339.14435	22.7
351.12283	13.4
381.13156	2.2
419.18494	4.1
437.19717	10.8
455.20688	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	455.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00345	0.5
53.15335	0.5
55.01872	4.5
57.07064	1.2
65.03928	0.7
67.05508	4.1
68.99793	1.6
69.03433	1.2
69.07079	3.4
69.76856	2.3
71.05000	4.1
73.24084	0.4
77.03939	0.6
79.05500	2.8
81.07072	2.5
83.00890	0.9
83.01347	8.7
85.06541	1.5
91.05495	1.5
93.07049	2.1
95.04973	3.1
95.08627	1.8
97.06537	4.5
101.10643	0.5
103.05449	0.5
105.07025	3.9
107.04967	2.1
107.08567	1.0
109.02890	1.2
109.06523	1.7
109.10130	0.7
113.06017	13.8
115.05458	0.7
117.07070	0.9
119.04951	1.3
119.08596	1.0
121.06515	3.7
123.00815	1.6
123.04462	1.6
123.08081	1.1
133.06506	18.7
135.04378	1.0
135.08089	4.8
137.06001	2.0
141.01865	0.6
145.06523	1.4
147.04442	5.3
147.08066	1.0
149.05977	1.2
151.00284	2.1
151.07556	75.4
152.07986	1.1
153.01846	0.9
155.07008	1.0
159.04370	0.6
161.06000	11.6
163.07509	0.6
165.01872	0.9
167.03398	0.6
169.01328	14.8
171.04509	0.6
171.11737	0.7
172.65321	0.5
173.06017	1.1
175.03767	0.5
177.01874	4.7
177.05493	1.5
179.07045	1.4
181.01321	7.8
183.02956	1.2
189.01828	1.2
189.05490	1.4
189.12729	1.2
191.07024	1.5
193.01472	0.7
193.04991	0.7
195.02876	3.0
199.02402	3.5
201.05508	2.2
203.03410	0.7
203.07065	0.9
205.04968	8.5
207.02896	0.7
207.06529	3.4
207.13852	0.7
215.07095	0.6
217.05005	0.9
217.12213	1.5
219.06569	3.4
221.04617	0.5
223.05946	2.9
229.04968	19.7
231.06509	4.0
233.08142	5.2
235.06007	4.2
235.13174	1.0
237.07562	4.6
247.06039	41.7
249.07582	0.9
251.09167	1.9
253.07071	2.0
257.11691	1.2
261.11267	1.8
265.07095	51.2
266.07373	0.6
275.12906	0.6
281.08127	0.7
283.08151	9.5
284.72495	0.5
285.07709	1.7
285.11200	10.3
303.12289	13.5
321.13354	100.0
322.13696	2.0
339.14816	1.0
363.12317	0.7
365.13916	1.1
381.13354	4.3
399.14374	1.7
406.41245	0.5
437.19705	1.3
455.20737	6.4
484.42340	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2068
Annotation	20,22-Dihydro-22,23-epoxywalsuranolide
Peak:m/z	Relative Intensity
50.14343	1.6
53.03959	1.6
55.01869	4.7
67.05501	4.2
69.03446	2.5
69.07080	8.2
74.11143	1.5
79.05493	8.3
81.07072	3.6
83.01360	3.1
83.04978	1.5
83.56920	1.8
91.05498	5.1
92.49409	1.6
93.07065	6.5
93.21043	1.7
93.94865	1.7
95.04999	2.5
95.08614	3.2
97.06570	2.3
103.05487	3.6
105.07039	10.8
107.04967	4.7
107.08612	5.6
108.23050	1.9
109.02868	1.5
117.07027	1.5
118.04169	3.7
119.08612	5.6
121.06535	12.3
121.10207	2.3
123.08107	4.5
129.07019	2.2
133.06508	34.4
133.10136	2.3
135.08095	11.6
135.11714	3.7
137.05988	1.9
139.30440	1.5
145.10132	1.7
147.08090	4.7
149.06044	2.1
151.00310	3.3
151.07574	6.1
158.20229	1.5
161.05998	100.0
161.13292	3.5
163.11255	3.2
165.09113	8.0
169.01364	9.2
171.11725	3.7
175.07568	5.1
177.09070	2.1
179.07127	3.9
189.12704	4.2
193.08673	2.9
203.03421	1.6
203.07083	10.1
207.06613	2.5
207.13887	5.5
213.12599	1.7
217.12268	8.3
221.04553	2.7
221.08127	4.1
229.04961	3.7
229.27856	1.5
233.08142	2.1
235.05927	2.5
235.13365	10.8
243.06482	4.1
247.06052	5.6
253.06979	1.5
259.13339	4.6
261.07431	2.9
264.63678	1.7
265.07031	6.7
269.12262	4.2
276.30127	1.5
277.14456	1.7
279.08755	4.0
285.07693	4.3
285.11261	20.6
303.12256	19.4
321.13409	17.7
337.14261	1.8
355.11694	2.4
419.18463	11.0
437.19772	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	455.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	33.2
60.95852	1.7
65.43104	0.9
69.65327	2.8
69.65714	2.3
71.95274	2.1
74.97610	10.0
84.96028	3.0
86.97598	10.2
91.24520	0.9
98.21430	2.0
98.97591	100.0
110.97556	2.1
114.97061	15.3
116.98634	31.6
124.99147	3.5
127.03918	1.4
128.98640	4.0
132.98102	30.5
134.99648	7.8
136.97415	1.4
139.03932	1.4
143.00186	8.6
143.03870	1.6
146.99692	1.4
147.04437	2.1
150.99159	26.8
156.98131	1.0
158.99663	29.8
161.01237	4.1
161.04854	1.8
169.00227	4.5
174.99153	11.0
177.00742	16.7
188.97095	2.4
190.98639	3.9
191.05945	3.3
193.00218	26.6
196.66101	0.9
201.04391	1.4
205.00127	1.2
206.98146	14.6
208.99895	1.2
211.01320	3.9
215.05737	1.1
215.62880	1.0
219.01932	1.8
219.05363	3.6
220.99712	3.8
224.99275	3.2
233.06897	1.7
235.01256	3.2
239.00745	2.9
247.04878	1.6
248.99217	11.4
249.01515	1.5
265.05878	1.7
267.00262	36.9
267.03308	2.1
279.00171	1.6
285.01324	25.3
287.05692	1.7
297.01266	1.2
306.99701	22.7
325.00800	61.4
343.01794	1.3
347.06210	1.8
361.04703	4.6
365.07562	3.5
375.06003	2.0
379.05453	22.2
379.09930	1.5
393.07111	3.7
397.06528	1.5
432.57526	1.0
437.06027	5.5
455.07187	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62800	0.7
58.41187	0.7
63.17796	0.7
69.76649	0.7
71.54002	0.9
81.70972	0.7
94.73733	0.7
94.93027	2.4
112.89613	22.7
114.89327	4.1
116.89179	0.8
125.54606	1.0
146.34108	0.7
149.96283	0.7
157.69817	0.8
202.89096	1.2
208.97331	1.2
210.89359	0.9
212.85205	2.9
226.86774	4.0
228.86644	1.7
232.92320	1.5
248.89815	1.0
284.83688	1.3
344.85593	1.0
415.14505	0.8
449.45834	0.8
455.11670	100.0
456.12070	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	455.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.5
57.07084	1.6
57.82670	1.3
67.05492	5.6
68.99805	1.8
69.03418	2.7
69.07066	5.0
69.55086	1.4
71.05005	11.7
71.14079	1.3
79.05481	5.9
79.61996	1.4
81.03417	2.8
81.07040	7.2
83.01345	8.9
91.05485	3.7
93.03413	1.4
93.07037	3.8
95.04963	7.1
95.08590	4.0
97.02841	1.8
97.06543	7.7
99.04448	4.5
103.03896	1.3
103.05486	2.7
105.07039	9.4
107.04950	4.3
109.02872	5.3
109.06511	5.8
112.14784	1.4
113.06004	11.7
115.05479	2.9
117.07052	3.0
119.08603	1.9
121.06486	5.4
123.00767	2.7
123.04419	5.9
123.08085	2.2
125.05978	2.1
128.63675	1.4
133.06505	42.0
135.04510	2.8
135.08054	11.7
137.05997	4.3
139.03897	1.8
145.06453	2.6
147.04437	2.7
147.08054	2.8
149.06003	1.7
151.00253	3.6
151.03996	1.7
151.07553	43.6
153.01810	1.7
161.05994	36.6
163.07539	2.7
165.01907	2.1
165.05530	2.7
169.01347	16.5
171.04462	1.5
173.05995	2.3
177.01855	8.3
177.05432	2.7
179.07034	2.3
181.01337	7.0
187.03851	1.6
189.01797	4.4
189.05493	4.8
189.12753	3.4
191.07085	3.3
193.04939	2.2
195.02858	10.0
199.02480	3.3
201.05461	5.3
203.06998	2.6
205.04941	8.8
205.76523	1.4
207.02760	2.9
207.06561	4.7
207.13847	1.4
213.03897	2.1
215.07082	2.3
217.05084	2.8
217.12267	3.1
219.06425	6.2
223.06049	2.4
229.02919	2.1
229.05003	26.0
231.06548	14.5
233.08115	17.8
235.06041	12.2
237.07643	7.0
243.06621	1.7
247.06046	39.9
249.07619	5.8
251.09279	6.7
253.07115	6.0
257.11954	1.4
265.07092	43.3
269.08148	1.8
269.12326	3.3
275.12738	2.0
281.08231	1.6
283.08121	21.6
285.11243	25.5
303.12296	47.6
311.09235	2.0
321.13342	100.0
322.13675	3.0
365.13803	5.9
367.15485	3.4
381.13220	2.9
399.13962	1.6
437.19534	5.4
455.20770	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	454.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31594	1.0
55.05506	1.8
55.12716	1.1
56.96534	1.2
57.07082	34.1
69.07057	3.4
69.90247	1.0
70.49839	3.1
71.08636	24.8
73.06565	6.1
81.07050	2.0
83.08608	2.5
85.09722	1.6
85.10188	21.1
87.04459	2.6
89.06039	100.0
95.08596	2.3
95.34673	1.2
96.31746	1.1
97.10160	3.9
99.11755	5.0
107.07058	2.2
113.13274	2.0
117.09129	2.2
121.10130	1.1
130.08641	3.0
133.08612	45.1
155.17943	3.9
161.06007	2.5
162.42259	1.0
165.36554	1.0
177.11259	19.0
180.54068	1.0
195.12328	3.1
199.20592	3.9
221.13879	2.2
239.14990	1.8
240.23367	1.0
243.23256	8.6
254.02513	1.4
283.17529	15.5
285.11172	1.1
287.25775	2.2
393.32266	1.7
437.34735	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	454.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43726	0.4
55.05521	2.9
57.07083	1.8
63.15445	0.4
67.05508	1.2
69.07092	2.8
70.06599	100.0
70.77850	0.8
70.78198	0.7
71.08636	1.2
79.05508	0.7
81.07068	1.5
82.42466	0.4
83.08624	2.1
85.10172	0.5
90.36155	0.4
93.07040	1.0
95.08634	0.9
97.06559	0.6
97.10181	1.8
107.08618	0.9
112.07670	0.6
114.05540	5.2
116.07101	72.8
121.10148	1.0
135.11679	0.5
140.07140	0.5
147.98801	0.5
286.64594	0.5
345.27112	0.4
371.02148	0.4
390.37234	0.5
427.05496	0.4
436.37921	44.0
437.37976	1.2
443.68506	0.6
454.38989	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	454.2932
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
55.05505	2.7
57.03442	4.4
57.06799	1.0
57.07080	21.4
62.06095	27.0
67.05516	4.1
69.07063	3.3
69.85065	4.3
71.08636	13.7
79.05540	1.0
80.72480	0.7
81.07072	5.6
83.08630	4.4
85.10181	8.1
90.54008	0.8
93.07066	1.5
95.08139	0.8
95.08620	8.5
97.10174	2.5
98.98471	4.8
99.11731	0.9
108.92531	0.7
109.10162	3.9
111.72120	0.7
123.11694	1.4
124.01583	0.8
127.57975	0.8
155.01070	6.8
198.05347	1.4
216.06354	2.7
239.23717	2.9
257.24881	0.9
282.27942	11.6
282.96603	0.7
313.27383	100.0
314.27887	1.6
317.17621	0.9
342.34494	0.8
349.15723	1.0
393.24008	6.2
436.28198	2.4
454.29074	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.1
55.96515	3.3
57.07084	4.0
67.05497	8.4
68.99780	9.3
69.07073	100.0
73.06534	6.0
74.91220	3.3
79.05482	13.3
81.07055	15.3
82.41957	2.9
83.04997	4.6
89.05991	4.0
91.05458	10.2
93.07037	17.6
95.08612	44.4
101.34161	3.3
105.07054	36.4
107.08600	20.8
109.02881	3.8
109.06521	4.0
117.07007	4.8
119.08575	11.3
121.05756	3.3
121.06486	16.2
121.10140	4.4
123.08078	55.6
131.08577	23.4
133.06508	28.2
133.08525	3.7
133.10150	29.0
135.08089	21.2
135.11684	5.1
143.08588	6.4
145.10123	11.8
147.11664	4.2
149.05969	10.6
149.09521	3.7
151.07553	14.0
151.19220	3.4
156.09402	4.3
158.10764	4.9
159.11653	5.6
161.05988	86.3
163.14835	8.3
173.13263	70.8
185.06024	4.4
191.07024	4.5
191.14296	21.6
195.06517	15.5
201.05588	4.7
201.12711	8.3
203.07037	16.6
209.08084	11.4
213.12775	6.4
217.08640	3.2
219.06558	12.8
223.11302	5.5
223.17168	3.2
229.41083	4.0
231.06606	3.4
231.13667	4.2
235.05995	6.3
236.06818	5.3
237.07613	55.3
241.12166	10.2
244.57765	5.0
245.08072	4.2
247.09656	16.6
251.09055	6.1
255.08652	12.1
259.13367	21.3
269.11584	14.4
277.14404	8.9
287.12854	40.5
301.14279	12.6
305.13873	37.4
319.15411	10.4
337.16507	53.9
353.13620	21.9
363.09921	3.4
421.20264	7.5
453.22461	8.6
453.33810	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	454.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55416	1.1
55.01870	1.6
55.05517	5.9
56.96562	2.7
57.03230	1.1
57.03441	11.7
57.07070	1.1
57.47267	1.1
61.02921	2.8
65.13103	1.1
67.05497	3.8
67.08500	1.1
69.03436	6.5
69.07074	15.8
70.56387	1.7
70.56734	2.5
71.01380	1.2
71.04999	66.0
72.39168	1.0
73.02914	4.8
75.04485	5.2
79.05476	1.5
81.03419	4.8
81.07053	5.0
83.04996	10.9
85.02912	100.0
87.04443	3.3
91.03973	2.9
91.05470	2.7
93.07047	3.0
95.04967	1.8
95.08611	2.1
97.02918	7.6
98.97590	2.8
99.04446	3.2
100.11252	3.7
101.11618	1.6
105.07019	2.6
107.08604	2.4
109.02878	2.1
109.06503	1.1
109.10134	1.9
111.04457	6.8
111.11726	6.9
121.10117	1.4
127.03940	5.7
129.05495	41.7
131.08549	1.6
133.05025	1.4
133.10072	1.3
135.11794	1.3
145.04994	4.5
145.10185	1.2
146.08168	1.2
147.06537	20.9
147.11682	1.6
163.06055	1.4
164.09184	3.8
182.15486	1.6
187.14781	2.0
188.15198	1.8
255.08742	2.1
259.08566	2.2
269.12387	1.3
273.09695	1.8
285.10016	3.6
293.17258	2.1
311.10706	1.5
324.11514	2.0
408.27710	1.2
436.18744	1.5
453.84579	2.1
454.20734	4.9
455.22839	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	453.2276
Annotation	Lespeflorin G3
Peak:m/z	Relative Intensity
53.03941	2.5
55.01870	1.9
55.05518	4.5
67.05510	9.8
68.99799	6.8
69.07075	55.4
71.08630	2.3
79.05509	10.8
80.99511	1.7
81.07061	15.5
83.04971	3.7
83.08614	3.3
85.19050	1.8
91.05489	9.0
93.07046	11.5
95.08617	31.6
96.83183	1.6
98.20802	4.8
103.05494	3.3
105.07038	16.6
107.04966	2.9
107.08601	28.6
109.06500	3.6
109.10159	3.5
117.06994	4.2
118.04179	3.0
119.08612	5.2
119.67989	1.8
121.06499	15.8
121.10160	8.7
123.08073	37.2
129.07008	4.2
131.08565	12.2
133.06505	31.0
133.10143	6.8
134.07292	2.7
135.04419	3.6
135.08061	21.4
135.11671	5.8
143.08554	5.3
145.06508	2.8
145.10092	3.3
147.08020	3.0
149.05981	7.5
149.09660	3.1
151.07535	14.6
155.08601	1.9
157.06497	2.6
157.10207	2.7
159.08076	2.6
161.05992	100.0
161.13356	1.8
162.06187	2.0
163.07515	4.2
163.14865	11.1
164.16258	1.8
171.07982	2.8
171.11690	2.7
173.06158	2.1
173.13290	28.4
175.07541	3.8
175.11217	2.3
176.01091	1.6
176.04800	2.9
180.00552	4.1
181.01379	4.3
185.05959	4.4
191.07069	6.5
191.14339	18.9
193.04993	1.9
194.05742	8.1
195.06552	14.5
195.11729	2.5
198.01598	2.8
201.09111	2.1
201.12802	2.9
203.07022	15.1
205.08521	2.5
209.08070	11.3
213.12766	6.2
217.08707	4.5
217.12276	2.8
218.05783	2.4
219.06567	6.2
219.13983	3.4
221.04488	2.6
221.08122	7.4
223.11230	7.6
229.08733	1.8
229.15182	2.0
231.06610	2.4
231.13844	5.7
235.06090	2.9
236.06805	32.4
237.07587	26.9
241.12236	14.4
243.13841	3.2
245.08153	10.4
245.11487	2.4
247.09650	4.2
249.07617	3.8
250.08360	9.5
255.08574	3.0
259.13309	37.6
269.11957	16.7
273.14951	4.7
277.14404	22.5
287.12836	25.9
288.12909	3.0
291.15958	9.5
301.14325	25.2
305.13858	21.3
311.12656	4.1
319.15399	19.4
325.14282	2.3
337.16611	17.8
352.13144	15.1
353.13791	18.7
370.14139	14.4
393.20663	9.3
419.14905	1.7
421.20181	8.0
435.21857	7.5
453.22922	14.7
453.33704	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	453.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.8
55.05496	4.1
57.03434	1.6
57.07076	1.3
59.04994	1.3
65.03938	3.5
67.05503	8.2
69.03454	1.2
69.07052	4.0
70.23687	1.4
70.24039	3.0
73.06560	6.5
73.56776	1.0
79.05496	6.0
81.03403	3.6
81.07074	6.7
82.23193	1.0
83.05000	1.3
83.08613	1.7
84.87787	1.0
91.05502	7.0
92.57534	1.1
93.03415	2.6
93.07056	6.4
95.04960	4.6
95.08590	4.1
105.03387	4.4
105.04478	1.3
105.07050	5.0
107.04948	3.5
107.08588	3.9
109.02876	3.8
109.06539	1.6
109.10107	2.1
110.33890	1.0
113.02377	1.3
117.07050	1.7
119.04914	1.9
119.08551	3.1
121.02888	1.1
121.06485	3.5
121.10159	2.1
123.04408	3.3
123.11665	1.3
129.07008	2.7
131.01410	1.2
131.03452	1.1
131.08560	3.5
133.02864	9.3
133.06511	1.6
133.10136	2.2
135.04402	3.3
135.08028	2.4
137.05913	1.2
143.08566	1.5
145.02824	1.2
145.10123	3.0
147.04440	2.1
147.08047	1.5
147.11711	1.3
149.02338	1.3
149.09662	1.5
151.07545	1.2
155.08522	1.3
157.06604	1.5
157.10110	3.3
159.00771	2.8
161.02382	5.3
161.05994	4.8
163.03889	4.8
165.01851	4.0
171.11629	1.7
173.02396	2.1
175.07510	3.2
177.01863	10.8
177.05414	2.7
179.01834	2.5
179.03406	44.1
181.04976	1.0
183.02847	2.2
183.11615	1.9
189.05475	32.5
191.03401	49.0
192.03650	0.9
193.12251	2.0
195.02911	9.0
195.06691	1.1
197.04488	4.8
203.03450	7.9
203.07030	8.5
205.04942	9.0
207.06512	16.5
209.04466	100.0
211.14789	1.3
219.06578	10.7
221.04585	6.4
221.08057	12.6
223.06017	15.2
231.06526	4.9
237.07619	4.3
245.08078	7.6
247.09573	1.4
249.07626	4.0
263.09161	65.3
264.09604	1.5
265.10742	8.9
275.12827	1.5
277.10709	2.9
281.10178	17.9
317.17758	1.7
319.15314	6.8
319.18582	2.1
353.13943	6.8
379.15280	2.3
393.16949	13.2
397.16507	75.5
398.16837	2.0
409.20230	5.9
435.21722	3.7
435.32523	6.5
453.22885	22.8
453.33475	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.01871	6.1
56.96581	2.6
67.05510	11.6
68.99783	2.7
69.03426	13.2
69.07063	5.5
71.04988	3.0
71.54603	2.2
73.02899	1.6
79.05499	6.6
81.03445	2.0
81.07068	8.9
83.04977	9.5
91.05486	6.9
93.07043	3.9
95.04976	7.3
95.08595	3.3
97.06523	5.0
97.10153	1.6
99.00821	4.2
99.04462	5.7
105.07030	4.7
107.04946	2.5
107.08574	2.2
108.58527	1.5
109.06531	12.2
109.10134	3.4
113.06005	2.3
115.05443	2.2
118.04178	2.6
119.08585	4.0
121.06535	12.3
121.10149	2.8
123.04433	25.3
123.11697	3.2
133.06506	26.2
133.10120	2.6
135.04417	5.6
137.02342	3.2
137.05995	4.9
139.03876	3.9
145.06473	8.3
146.07269	3.4
146.16373	1.5
147.04358	1.9
147.08081	4.4
157.10045	1.9
159.08116	3.4
161.05995	100.0
165.01846	9.1
165.05493	2.1
167.03415	26.0
171.08083	8.1
173.09616	1.8
174.10416	2.2
177.05487	8.8
183.02936	10.0
185.09671	3.5
187.07570	2.0
187.11177	4.7
189.05544	2.3
191.03317	2.0
193.04977	5.4
197.09648	2.6
198.10512	2.0
198.43587	1.9
199.07623	3.3
200.11958	3.6
209.04543	3.1
211.11223	6.4
215.07152	2.7
217.05020	2.5
221.04462	73.4
223.05992	4.5
239.10745	4.6
241.07057	2.9
245.04478	14.0
251.05547	1.9
263.05548	50.9
267.06519	3.2
277.15225	1.8
279.10031	2.3
283.06073	7.7
307.09634	6.7
319.11868	4.0
321.07660	13.7
325.10489	2.6
333.11087	3.4
337.06937	2.1
339.08542	3.2
343.09631	1.8
351.12399	1.9
353.13684	2.3
361.10669	16.3
379.11807	35.9
397.12842	20.9
435.18005	3.2
453.19128	11.3
453.34259	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1734
Annotation	3,4,5-Trimethoxy-3',4'-dithoxybibenzyl 3'-O-glucoside
Peak:m/z	Relative Intensity
53.53601	0.4
55.05500	0.9
65.43262	0.4
67.05482	0.9
69.70866	2.8
70.06573	0.8
81.07059	1.0
83.08548	0.6
85.02921	0.8
91.05460	0.5
93.07066	0.6
97.02892	0.5
98.20756	0.5
100.11289	2.2
100.31525	0.5
103.65758	0.4
105.36174	0.4
107.04985	0.7
109.10114	0.5
110.07107	0.4
111.04411	1.3
119.04941	0.7
120.08116	0.5
121.02870	1.2
121.10128	0.5
129.07007	0.5
131.04877	0.5
133.10149	0.5
135.04411	0.5
137.05170	0.5
137.06013	5.4
139.03925	1.1
141.07007	0.5
147.04420	0.6
161.02872	0.7
163.03856	0.7
175.07509	1.1
177.05559	0.5
181.04909	0.5
187.07487	0.5
191.03441	2.0
203.03668	0.7
203.05331	3.7
205.05107	0.4
209.16487	0.8
210.14847	1.1
226.19191	0.6
229.12036	2.8
231.09924	0.5
273.10928	1.3
291.12045	22.6
292.12448	0.7
295.06131	1.1
301.17865	0.6
309.15244	0.5
321.07611	1.3
323.05411	0.5
367.08264	0.5
390.66330	0.4
397.73004	0.5
409.18323	0.8
429.05173	1.0
435.33322	1.0
453.17267	100.0
453.34128	4.5
454.17557	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	453.174
Annotation	3,4,5-Trimethoxy-3',4'-dithoxybibenzyl 3'-O-glucoside
Peak:m/z	Relative Intensity
51.23883	0.5
55.05558	0.8
56.96624	1.1
64.30174	0.4
67.05579	1.8
69.03483	1.0
69.07114	0.8
69.97836	1.7
69.98249	1.1
73.06816	0.5
79.05574	1.4
81.03505	0.7
81.07148	2.3
83.05054	0.5
83.08698	0.6
83.72311	0.5
85.02998	2.1
91.05572	1.6
93.07132	1.1
95.05041	0.7
95.08713	1.6
97.02966	1.2
97.06640	0.5
98.20892	0.8
98.97673	1.2
99.08176	0.6
99.76589	0.6
100.11335	0.7
102.20278	0.5
105.07048	2.4
107.05072	0.6
107.08672	1.5
109.10254	1.3
111.97029	0.5
119.01966	0.9
119.07928	0.5
119.08710	1.7
121.06604	0.6
121.10250	1.2
122.80494	0.6
129.04077	1.4
131.08672	0.7
133.10233	0.9
135.11742	0.6
137.06120	0.6
145.06595	0.7
145.10220	0.9
147.11743	0.9
149.09724	0.5
159.11836	0.7
161.09695	0.8
185.04364	1.5
187.14853	0.9
205.15916	1.1
229.12239	0.7
245.05067	0.7
247.13054	3.8
249.09769	1.0
267.10849	0.9
273.11288	0.8
273.14609	0.9
273.18549	0.6
291.12057	100.0
292.12347	1.9
309.11795	0.8
325.07123	0.8
337.06967	1.2
375.13037	1.0
435.07193	0.8
453.07846	1.5
453.17065	48.5
454.17206	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1396
Annotation	Catechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03947	1.3
55.01856	2.8
57.03433	1.8
61.02917	3.2
65.03942	1.1
67.05486	1.3
68.99793	2.7
69.03429	7.3
70.06591	0.9
70.47023	1.5
71.04986	0.9
81.03407	3.3
83.05000	0.8
85.02910	20.7
91.05473	1.6
93.03382	1.4
95.04965	2.2
97.02901	7.5
98.97585	1.0
99.04494	1.1
103.03916	1.1
103.05416	1.1
105.03387	0.8
107.04948	2.3
109.02868	2.4
111.04441	2.9
119.04942	6.0
120.08100	0.8
121.02876	0.9
123.04439	64.5
127.03933	5.5
135.04398	3.7
137.05943	1.6
139.03914	100.0
140.04272	1.4
143.04852	0.8
145.04973	2.6
147.04419	18.5
148.04799	0.9
149.05962	0.9
151.03932	6.0
153.05467	2.0
161.05971	3.0
163.02576	1.2
163.03920	13.0
165.05481	16.3
175.03896	1.1
177.05438	3.1
179.03413	1.5
181.05006	3.2
189.05531	2.0
200.78133	0.9
200.79947	0.8
203.04871	1.1
205.04939	3.4
207.06525	1.9
217.04976	1.5
235.06058	0.9
235.37592	0.8
237.00710	0.9
247.06055	3.0
265.94553	0.8
273.07611	5.0
275.05496	1.6
291.08612	11.4
301.09323	2.0
303.08881	0.8
328.15585	0.8
430.26907	0.8
453.18893	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	452.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25621	1.8
55.01657	2.3
55.01880	24.0
56.05032	9.6
57.03435	5.2
58.99580	8.7
59.21693	2.0
61.01140	5.3
68.05042	5.3
69.03427	4.4
70.02964	6.9
71.24732	2.7
72.04516	16.8
73.02925	2.5
74.00674	11.3
76.02239	14.2
79.10505	2.0
80.05020	6.3
82.06583	2.7
83.06115	5.2
84.04510	73.4
85.01140	33.8
85.02916	3.8
86.00659	26.6
86.99062	63.0
87.02681	2.3
90.05563	29.8
95.05000	3.5
96.04507	3.0
97.01125	6.5
97.06539	8.9
98.06042	7.6
100.02235	4.0
100.07713	2.9
102.03764	15.1
104.01689	6.7
108.04488	3.1
109.07639	6.2
112.02213	24.7
113.01723	2.6
114.00098	5.1
114.03766	11.4
116.01682	17.8
116.07083	10.4
124.02220	2.1
126.05537	12.5
127.02164	4.2
127.05026	4.8
129.06633	4.8
130.03249	12.9
130.05013	18.0
131.02780	23.7
137.08362	2.5
139.05017	3.2
140.01640	4.5
141.06601	4.3
142.03253	17.7
143.02740	16.4
144.06573	7.7
152.05345	2.3
153.06645	3.8
155.08130	7.2
156.06548	3.0
157.04379	3.1
158.02719	27.3
159.07689	3.5
168.04811	4.2
169.04315	13.4
170.06343	11.5
173.09247	3.3
175.05402	2.9
176.03760	5.7
185.03809	58.1
188.07376	4.5
191.04897	6.6
192.03142	2.1
193.06476	6.9
196.04320	10.1
202.05316	3.6
203.04869	100.0
206.08418	4.7
211.05331	6.6
219.08031	13.8
224.03674	2.5
228.81474	2.1
229.06430	50.4
231.07953	10.6
241.06464	7.1
247.07484	8.8
269.05804	2.9
271.11172	8.5
287.06989	18.1
287.10126	3.3
305.11713	51.3
363.12000	2.9
376.11642	5.2
386.90732	2.7
452.17007	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	452.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65847	1.9
56.96571	59.5
70.32536	8.9
71.95259	3.0
74.97602	3.9
83.14618	2.5
84.92105	2.0
84.96028	4.9
89.03878	2.0
93.35670	2.3
98.21133	5.5
98.97594	100.0
110.97556	5.2
116.98647	29.2
117.03398	4.4
128.46027	2.3
128.98615	4.1
134.99666	2.4
135.04443	4.1
143.00182	5.1
145.02870	4.0
147.04420	2.4
158.99660	23.6
163.00789	2.8
163.03909	18.3
174.99205	4.1
175.00711	7.9
177.00732	14.2
185.01282	2.3
187.00789	2.7
191.00212	4.0
193.01770	8.7
205.01869	3.5
209.01195	8.3
211.02831	6.7
218.99620	12.5
221.01277	3.6
237.00714	36.0
239.00687	3.3
248.99231	7.8
251.02252	4.2
253.66943	2.4
255.01794	89.5
256.02008	2.6
267.00220	40.1
269.03360	12.9
273.02847	86.9
279.01733	9.2
285.01242	12.3
296.99493	3.6
297.02866	58.2
313.02185	5.0
315.03909	7.9
320.13727	2.3
323.04462	6.2
325.02203	4.1
337.02469	3.7
355.03320	4.1
404.24670	2.7
411.02405	11.4
429.03448	21.5
447.05026	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	451.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68148	3.9
53.03936	10.3
55.01858	16.0
55.05511	30.2
55.21406	3.6
56.75303	3.4
56.88657	4.3
57.03423	15.7
57.07050	8.4
61.02913	13.2
65.03930	5.4
67.05509	37.7
68.99782	9.3
69.03076	7.2
69.03429	84.4
69.07077	34.9
69.40202	10.3
69.40607	19.7
71.01318	5.3
71.04991	31.3
73.02911	9.1
79.05490	35.7
81.03420	48.6
81.07056	76.8
83.04971	16.4
83.08597	12.3
85.02908	76.1
85.06538	7.6
87.00827	41.6
91.05473	44.6
93.07043	61.6
95.04982	23.4
95.08608	75.4
97.02885	40.1
97.06523	15.6
97.10135	6.8
99.04443	10.1
99.08120	5.5
103.03941	14.9
105.01836	13.4
105.07033	100.0
107.04968	11.1
107.08588	61.3
109.02879	25.5
109.06504	16.4
109.10151	57.2
111.04429	11.6
115.03953	15.0
115.05457	4.5
117.01822	5.5
117.07018	20.9
119.07812	5.7
119.08589	87.6
121.06501	14.9
121.10136	39.2
123.04445	10.8
123.08064	14.4
123.11717	25.6
125.05987	9.1
125.09614	8.2
127.03893	38.2
127.11204	16.1
128.06250	6.1
129.01854	11.1
129.07008	15.5
130.07677	6.0
131.08582	50.5
133.06436	6.0
133.10132	66.9
135.04366	5.9
135.08020	16.7
135.11746	24.6
135.12564	5.1
137.05962	13.6
137.09616	12.4
139.03868	4.6
139.11159	5.5
141.06989	8.7
142.07768	12.1
143.08554	28.5
144.09348	5.6
145.04961	7.5
145.06448	6.9
145.10121	79.4
147.08041	9.6
147.11685	48.6
149.09593	9.9
149.13246	18.7
151.07559	5.7
151.11075	6.1
152.78627	4.1
154.07816	5.0
155.08585	22.5
156.09358	10.7
157.10135	44.4
158.10898	6.4
159.02890	14.5
159.08000	9.6
159.11685	74.4
161.09576	8.2
161.13263	31.8
163.11143	12.1
163.14821	7.7
165.06897	5.7
165.09158	7.2
165.12787	5.0
167.08562	9.8
169.10121	16.6
171.07986	7.8
171.11720	36.2
173.09618	15.2
173.13274	26.4
175.11284	10.9
175.14792	19.4
179.10820	4.7
181.10118	8.5
183.11703	16.1
185.09630	12.0
185.13197	22.1
187.11147	8.3
187.14786	26.0
189.04022	10.4
189.09123	9.1
189.12715	13.2
189.16417	54.7
191.10622	4.5
191.14285	7.2
192.09326	8.6
193.10103	4.5
195.11688	9.5
197.13214	15.3
199.11099	6.4
199.14780	11.7
201.03941	11.2
201.12698	12.3
201.16365	46.0
203.10739	7.5
203.14366	10.3
203.17964	18.2
205.12302	4.5
207.11818	5.0
209.13307	11.4
211.14751	10.4
213.12724	6.2
213.16313	20.3
215.17888	22.5
217.12326	4.9
219.04837	5.9
219.13985	6.7
219.17415	11.8
223.14801	10.1
225.12662	10.8
225.16309	9.9
227.18033	13.2
231.17448	14.9
233.18953	6.8
241.15897	9.2
241.19597	5.3
243.14003	7.7
243.17415	8.2
245.19005	18.4
257.18921	6.7
259.16803	7.1
265.19290	4.5
287.19971	5.3
289.05917	4.9
289.14096	13.0
311.19922	32.2
329.21249	23.7
347.22101	7.2
359.22195	9.6
361.16650	4.6
365.23285	8.4
405.31552	5.5
407.24091	6.2
415.21008	16.3
433.22070	27.3
437.54623	4.7
451.23520	91.4
451.30167	7.3
451.32034	6.7
452.23517	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	451.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	100.0
65.25443	1.0
71.21228	1.2
71.21568	2.6
74.97612	20.3
75.20393	1.0
82.42673	1.0
84.96046	5.7
86.51631	1.0
86.97603	19.9
93.30651	1.4
98.97583	2.7
104.98627	1.5
107.75816	1.1
114.97059	23.2
116.98653	1.0
132.98103	53.3
138.99155	1.0
141.02249	2.4
143.03831	13.6
144.98050	1.4
147.04388	2.0
150.99156	52.9
151.00377	2.6
151.70706	1.0
159.03258	4.9
161.04868	45.1
162.99149	3.0
169.00214	12.8
173.04878	2.9
177.04344	7.9
179.05920	16.1
181.00266	1.2
183.56146	1.0
184.06410	1.1
190.98679	8.3
191.05881	5.0
195.05374	3.2
196.54155	1.2
201.04362	4.6
205.03825	7.6
208.99692	32.2
219.05388	14.9
223.04948	5.3
227.00760	4.3
235.04875	1.3
237.06522	5.8
245.03329	6.6
245.10629	5.8
247.12221	1.4
259.04990	1.4
263.04410	63.5
263.11633	1.8
264.04565	1.5
277.05960	5.5
281.05460	28.4
286.05899	2.3
299.08127	1.5
313.09665	1.9
317.09061	4.8
321.04984	22.1
331.10599	6.0
335.10236	2.8
339.05923	4.3
370.81268	1.2
375.09479	3.8
393.10602	2.6
451.10831	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3632
Annotation	Numersterol A
Peak:m/z	Relative Intensity
54.67838	2.9
55.05524	25.1
57.07083	49.1
67.05514	17.1
68.99781	4.3
69.03410	4.9
69.07071	43.4
69.89744	3.2
71.08639	37.3
79.05489	9.5
81.07056	30.7
83.04965	3.6
83.08627	22.4
85.10185	14.2
91.05498	11.1
93.07045	13.6
95.04984	3.5
95.08615	34.4
97.09606	3.7
97.10165	17.6
98.21453	8.8
99.04469	48.1
105.07029	20.0
107.08592	13.0
109.06525	16.2
109.10172	18.7
111.04424	18.6
111.08119	4.7
111.11716	12.0
113.06004	18.7
119.08585	8.3
121.06480	6.1
121.10149	8.4
123.04432	3.8
123.08081	8.9
123.11730	7.9
125.06007	57.9
131.08580	4.7
133.10138	11.0
135.08075	7.0
135.11668	4.1
137.06020	12.6
137.09612	4.1
137.13229	3.3
139.07562	5.1
141.30589	3.6
145.10130	5.0
147.11732	4.5
149.09775	3.7
151.03925	8.0
151.07565	15.8
153.05513	9.9
157.10173	4.7
159.11620	4.4
161.09557	4.0
163.07561	23.1
163.11176	3.6
165.09216	5.9
169.04987	6.2
175.14867	4.5
177.09149	7.7
178.09901	3.3
179.10730	5.3
191.10675	6.8
205.12358	5.7
217.12384	4.8
219.17456	8.3
220.17816	9.0
220.49574	3.9
230.24789	9.3
231.25125	12.6
287.05554	5.8
299.05798	4.4
301.28873	9.7
319.29916	7.6
371.33438	4.2
385.34985	4.2
389.34198	10.7
403.35739	100.0
413.34274	21.5
431.35229	84.2
449.36279	64.6
449.41687	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	449.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.1
67.05524	2.4
69.07063	1.8
79.05494	2.0
81.03409	0.5
81.07075	3.1
83.08591	0.8
84.91595	0.5
86.09727	1.1
91.05505	1.0
93.07042	2.2
93.74254	0.5
95.08592	1.4
104.10756	1.2
105.07018	0.8
107.08609	1.1
117.07047	0.8
119.08604	0.5
121.02744	0.4
121.06476	0.8
121.10101	0.6
123.27298	0.5
131.08565	1.5
133.06490	1.7
134.90576	0.5
135.11702	1.0
137.02319	0.8
149.13277	0.7
156.68777	0.6
157.06462	0.5
159.08083	0.7
161.06010	1.8
165.01830	2.5
167.03503	1.0
175.03986	0.6
179.07292	0.5
183.02936	1.3
201.12849	0.6
202.88025	0.5
203.82588	0.6
215.10768	0.6
219.06554	0.5
227.03961	0.5
245.08087	0.6
265.98138	0.5
271.05859	0.8
287.05469	5.1
297.11121	2.2
299.05487	5.6
300.06381	1.8
306.08514	0.6
311.05444	1.2
313.07071	0.8
315.12280	2.0
325.06943	1.0
329.06506	5.6
339.08664	1.3
353.06616	2.2
353.13718	0.9
375.25150	0.6
383.07590	0.7
395.07413	0.7
413.08609	1.5
421.29263	1.3
431.09781	2.7
443.67572	0.5
449.11557	3.0
449.28787	100.0
450.28973	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	449.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	2.5
61.02943	1.2
69.07071	13.7
69.88228	4.3
70.02950	3.1
70.06579	0.8
73.04044	1.5
74.48933	0.7
81.03419	1.1
83.06099	3.7
84.04509	95.0
84.08163	1.1
85.02868	1.1
85.04024	6.1
86.06118	1.3
86.09711	14.0
87.05589	10.1
96.04466	4.5
96.08115	2.5
97.02898	1.7
98.02431	6.9
98.06065	1.5
98.97628	1.1
101.07143	1.3
105.42301	0.8
108.04521	0.8
109.02930	0.9
110.02410	16.3
111.05556	1.2
113.10776	8.1
119.04960	0.8
120.08118	5.2
121.02830	0.8
121.08434	3.3
124.03971	4.9
125.07112	3.2
126.05523	100.0
132.10263	5.9
135.05574	1.4
138.05511	14.0
141.10233	25.4
141.11316	1.6
144.06544	3.6
149.55222	0.9
155.11804	1.8
163.03877	1.0
166.08646	25.6
167.09091	1.7
168.06577	4.2
169.09749	2.3
183.11322	2.0
186.07675	4.4
187.10783	15.0
191.04861	0.9
200.13954	10.4
203.10301	1.0
204.08679	23.1
211.10794	2.7
212.09172	20.2
212.11060	1.6
221.11420	1.2
223.33130	0.9
228.13474	7.8
229.11848	30.5
244.39993	0.9
246.14513	45.4
287.05453	1.7
299.05231	0.8
396.58704	0.9
449.16467	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1084
Annotation	5,7,2',6'-Tetrahydroxyflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
55.84514	0.3
56.96534	0.3
67.01873	0.5
68.99789	0.5
69.63545	1.0
69.63950	0.6
73.02882	0.3
79.01835	0.4
81.03400	0.4
85.02866	0.8
89.03893	0.3
97.02824	0.3
98.20770	0.5
98.97549	0.3
121.48934	0.2
127.03854	0.3
135.04442	2.2
137.02367	2.0
145.05188	0.2
153.01837	5.4
161.02313	0.9
163.03877	0.3
165.01814	0.7
171.02837	0.4
179.03305	0.5
203.03514	0.5
217.05077	0.5
229.04865	0.4
241.05025	0.8
259.06390	0.3
261.04205	0.3
269.04446	0.5
271.06091	0.6
272.06857	0.6
283.05948	0.3
287.05524	100.0
288.05878	2.5
297.07544	0.2
299.05536	6.3
300.06296	2.6
311.05566	1.3
313.07025	1.3
325.06995	1.1
329.06580	7.6
339.08743	2.0
353.06516	2.4
359.07318	0.3
365.06464	0.3
367.08096	0.5
383.07492	1.8
395.07681	1.1
413.08676	2.5
431.09781	3.6
449.10883	20.6
450.11139	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1085
Annotation	8-C-beta-D-Glucopyranosylkaempferol
Peak:m/z	Relative Intensity
53.03959	1.0
55.01886	1.4
56.96565	3.3
68.99795	1.9
69.03443	1.4
69.58985	0.8
69.59297	7.6
70.06586	4.4
79.01881	5.1
81.03429	2.7
81.64344	1.1
84.08157	2.4
85.02911	4.6
86.09209	1.0
86.09708	2.4
97.02912	1.4
98.97594	4.4
109.02915	2.8
119.04977	1.4
123.04436	2.3
128.98677	1.3
135.04430	5.5
137.02354	21.0
137.03403	1.3
137.05977	2.1
147.03296	1.7
147.04433	1.9
149.02325	2.0
153.01845	3.0
161.02405	3.0
161.05937	1.0
163.03891	2.7
165.01836	7.4
177.01868	2.3
179.03403	3.0
183.02974	2.5
189.02167	1.0
189.05469	1.7
191.03432	2.3
193.04994	1.0
195.02997	1.5
203.03400	1.2
205.04929	2.5
217.05022	3.5
229.05061	4.9
237.02913	1.9
243.02960	2.7
243.06577	1.7
245.04500	1.3
245.10664	2.4
254.06018	1.4
259.06076	3.9
261.03989	3.6
271.06036	7.2
272.06815	9.3
283.06088	2.6
287.05563	34.2
295.06100	2.4
296.06921	1.1
299.05521	90.0
300.06299	37.8
301.06992	3.1
311.05566	20.4
311.08957	2.2
313.07080	17.8
314.04266	1.5
324.06284	4.2
325.07092	9.0
327.05078	3.0
329.06586	100.0
330.06979	3.3
337.07068	1.5
339.04883	2.0
339.08621	22.6
341.06686	3.3
343.08148	1.9
353.06607	28.3
359.07718	6.6
365.06488	3.5
367.08212	6.9
371.07632	3.1
374.05896	1.4
377.06668	2.6
383.07678	16.4
389.14865	5.4
395.07709	10.3
413.08725	34.1
413.14233	1.7
431.09799	50.4
449.10849	64.4
449.16302	4.0
450.11331	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1083
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
52.50000	0.2
59.41054	0.1
67.01856	0.5
68.29850	0.1
68.99787	0.3
69.19141	1.0
69.19559	0.4
106.45333	0.1
111.04362	0.1
117.03379	0.2
129.01837	0.1
132.49156	0.1
135.04424	1.5
137.02344	0.9
145.13177	0.1
153.01845	4.4
161.02316	0.5
167.55496	0.1
171.02914	0.3
179.03419	0.3
203.03339	0.1
213.05563	0.2
219.06422	0.2
226.81551	0.1
241.04993	0.5
263.05609	0.2
269.04477	0.4
287.05518	100.0
288.05814	1.9
299.05411	0.4
300.06116	0.2
329.06607	0.4
353.06421	0.2
383.07999	0.1
413.08685	0.2
431.09641	0.2
449.10818	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1082
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
53.74518	0.1
59.16285	0.1
67.01855	0.5
68.99792	0.4
69.20735	1.1
69.21149	0.5
70.03783	0.1
76.20587	0.2
89.03944	0.2
97.02915	0.2
98.20786	0.3
107.04986	0.2
117.03379	0.4
135.04434	1.9
137.02353	0.7
142.75162	0.2
153.01836	5.4
161.02376	0.6
161.05934	0.1
171.02872	0.3
179.03439	0.4
213.05495	0.2
237.77414	0.2
241.04970	0.7
259.06058	0.1
269.04364	0.4
287.05511	100.0
288.05862	2.5
299.05569	2.0
300.06140	0.3
313.06937	0.2
329.06625	1.1
339.08801	0.3
353.06512	0.6
383.07672	0.2
395.07559	0.2
413.08640	0.5
431.09885	0.5
449.10883	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Homoorientin
Peak:m/z	Relative Intensity
51.77162	1.0
55.01854	1.8
69.58180	2.6
69.58607	4.4
79.01843	4.2
79.19360	1.1
81.03427	2.5
85.02906	2.2
94.64417	0.9
135.04417	3.2
136.05203	1.7
137.02333	17.1
154.60057	1.0
161.02383	3.0
163.03963	1.8
165.01859	6.4
167.03410	1.7
176.92134	1.1
177.01849	1.6
179.03371	2.5
183.02878	2.0
187.03923	1.1
191.03282	1.4
193.04921	1.3
201.05621	1.3
203.06949	1.2
205.04927	1.4
217.04947	4.5
226.06256	1.3
227.07045	1.7
229.04890	5.6
243.02905	2.6
243.06641	2.7
244.07193	1.8
254.05824	1.1
259.06110	4.0
271.06073	9.7
272.06778	13.1
283.06042	1.8
287.05484	4.4
299.05505	77.8
300.06268	42.1
301.07034	3.6
311.05505	17.1
313.07022	20.6
324.06247	3.3
325.07065	4.3
327.05042	3.3
329.06543	100.0
330.06851	2.6
339.04855	2.4
339.08621	19.5
341.06473	5.3
343.08493	1.6
353.06531	21.8
359.07773	7.2
365.06732	1.3
367.08197	7.3
383.07623	18.5
395.07608	11.4
413.08698	35.5
431.09726	57.6
432.10175	1.4
449.10803	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.2
56.96540	0.8
57.03437	0.8
57.07083	9.2
58.06579	2.4
67.05492	1.2
69.07066	1.3
70.06599	18.1
70.72095	1.8
71.08645	3.1
74.06056	0.8
79.05469	1.3
81.07053	1.1
85.02908	0.8
85.10178	0.7
88.07639	21.5
91.05463	2.8
93.07053	1.6
94.66767	0.6
102.09183	16.9
104.02621	2.5
105.07035	0.7
113.52784	0.6
118.04145	0.7
119.04916	2.6
122.46040	0.6
132.02068	9.7
136.01572	7.2
138.46338	0.7
145.10126	0.7
147.04422	28.8
148.05223	3.2
149.02353	1.4
175.03925	50.7
176.04626	2.5
180.04190	10.4
191.06989	3.0
193.04993	1.8
212.23849	1.0
219.06543	89.0
220.06911	2.0
256.26376	53.3
257.26834	0.8
287.05609	1.9
299.05469	2.1
311.05438	0.7
329.06546	2.4
431.09851	1.1
448.30624	100.0
449.10574	1.3
449.30939	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	448.9884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37533	2.5
60.04523	11.0
69.03387	2.3
69.80679	12.1
84.04465	2.3
88.04019	2.5
94.93014	23.0
98.97578	2.6
106.05032	15.7
107.05385	3.1
112.89590	3.0
119.01959	2.7
126.05515	3.0
134.92451	3.0
136.94037	4.2
140.01891	2.5
150.91972	13.6
152.93527	3.6
162.95610	22.8
163.03929	5.7
164.93527	6.0
188.93507	2.8
206.94582	6.8
210.94075	2.5
224.95641	3.6
227.08842	2.8
250.93633	7.7
251.04395	3.0
255.02951	5.3
255.08139	3.6
256.96124	39.7
268.94656	29.4
270.97726	6.1
273.04138	19.2
273.09253	6.5
291.05002	5.8
324.98697	3.0
338.96838	5.0
386.98810	10.6
411.13425	7.0
412.96771	7.4
413.13217	4.5
429.14429	6.2
430.97803	100.0
448.98785	11.9
449.14932	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	448.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
55.01865	3.0
55.05503	4.9
56.85912	2.4
56.96552	3.2
57.03420	2.5
67.05499	6.7
69.03416	11.2
69.07052	11.8
70.18056	12.8
71.04974	3.5
79.05496	15.4
81.03399	4.6
81.07060	14.9
83.04988	16.9
83.08619	2.8
84.08134	3.3
85.02901	10.1
85.06524	4.9
86.09693	3.3
91.05495	14.0
93.07059	19.9
95.04957	9.7
95.08591	4.3
97.02886	6.5
97.06535	21.9
99.04471	6.0
105.07024	27.3
107.04975	9.5
107.08617	18.0
109.06494	12.6
109.10101	3.0
117.07023	8.8
119.04923	11.6
119.08579	11.6
121.06509	15.1
121.10148	8.9
125.06015	32.2
127.07580	4.8
131.08575	11.3
133.06535	3.6
133.10081	4.6
135.04430	4.8
135.79764	2.7
137.05971	7.3
139.07533	6.1
143.07031	35.9
143.08565	5.2
145.10133	50.6
147.11685	7.0
151.03993	3.1
151.07510	7.9
152.04184	3.5
153.01859	6.6
157.08624	6.8
159.08018	4.4
159.11783	16.3
163.03882	2.7
163.11176	45.9
165.01820	3.6
165.12720	3.8
169.10139	5.0
173.09615	24.0
176.80560	3.1
177.12811	7.3
187.11214	32.1
191.10667	17.4
197.09654	7.5
205.12268	38.4
209.11816	4.2
215.07111	3.2
215.10664	43.7
216.07384	5.3
223.13266	6.3
227.17674	2.9
233.11732	50.6
251.12729	31.3
251.16537	5.5
269.14005	18.5
285.07571	14.8
286.07919	42.7
287.05502	100.0
299.05557	25.4
300.06259	9.7
311.05524	5.6
325.07062	3.1
329.06638	22.0
339.08524	6.7
353.06567	8.5
381.70340	2.9
383.07422	6.5
395.07739	4.9
399.97098	3.1
413.08643	5.5
431.09662	9.6
449.10825	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	448.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81227	1.1
57.03432	1.3
59.26915	1.0
60.04529	72.5
61.42078	1.2
62.06081	3.2
64.87029	1.1
69.03414	3.3
69.38355	1.2
69.78476	1.1
70.02954	1.3
70.82258	1.2
70.82570	2.6
84.48114	1.0
85.02915	8.2
88.03992	11.8
96.74868	1.2
97.02885	4.0
106.05036	100.0
119.04935	1.2
127.03956	5.7
131.01855	1.2
145.04970	3.4
147.04436	5.3
150.43300	1.3
188.67183	1.2
237.14548	1.3
373.31540	1.4
418.29297	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	4.4
55.01889	5.3
55.05510	4.0
56.11316	2.7
61.02929	5.4
62.45712	2.9
67.05489	10.1
69.03424	9.1
69.07047	8.5
70.06578	2.9
71.04985	4.0
71.56366	6.2
73.02952	3.8
79.05491	15.3
79.39095	3.2
81.03409	5.6
81.07076	19.5
83.04980	8.2
85.02901	10.7
91.05488	16.1
93.07051	32.3
95.04973	11.4
95.08596	11.7
97.02895	8.2
97.06544	11.2
98.97569	3.3
99.04412	6.2
104.63702	2.8
105.07041	32.7
107.04976	14.2
107.08611	15.9
109.06509	12.2
111.04508	3.3
117.06983	6.2
119.04985	5.7
119.08575	23.2
121.06516	18.2
125.06009	20.4
127.03873	4.1
131.08592	8.9
133.06447	7.7
133.10127	2.8
135.04456	3.9
135.08095	7.5
135.11684	12.9
137.02354	4.0
137.05968	20.6
139.07565	8.4
143.07047	10.9
143.08595	3.8
145.06514	5.8
145.10133	45.9
147.11652	5.9
153.01793	4.9
155.08527	3.3
157.08609	5.6
157.10184	3.4
159.08086	5.5
159.11693	20.5
161.13211	4.9
163.11174	55.0
165.01878	3.2
169.10199	4.9
173.09639	42.7
179.08598	4.1
181.12282	11.9
187.11220	30.6
189.12807	5.7
191.10710	19.1
197.09698	9.2
205.12219	16.8
209.11673	4.3
215.10707	39.6
216.64182	3.5
227.12849	16.8
233.11746	72.1
251.12827	55.3
269.14011	7.5
286.17242	5.1
287.05521	100.0
299.05576	31.8
300.06253	5.5
311.05527	4.2
325.07108	7.2
329.06580	27.4
339.08679	8.7
353.06580	8.9
365.06766	3.6
383.07492	7.3
404.05786	3.4
413.08762	7.1
431.10049	14.9
449.10770	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	448.161
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	2.5
57.03418	1.4
58.85773	1.3
67.05489	3.0
69.03466	1.4
69.07078	15.9
71.55499	1.7
79.05501	2.4
81.07049	3.1
86.79708	1.4
87.04490	1.6
91.05495	1.7
95.04936	1.5
95.08578	1.7
103.05490	5.0
104.07114	4.1
109.57710	1.4
131.04958	9.0
133.06427	1.6
133.10120	1.5
147.04424	5.1
153.35521	1.7
157.06523	5.6
159.04407	16.7
167.08620	1.5
171.08081	1.9
173.05988	6.5
177.05475	8.9
179.08578	2.7
182.07257	1.4
189.21371	1.7
197.03026	4.5
197.09612	4.6
205.03514	4.9
211.04561	4.6
215.10709	21.8
223.04463	2.5
234.03758	1.9
237.02367	2.9
247.04399	1.9
249.05591	1.8
267.28259	1.5
273.09845	2.6
281.06650	7.2
287.05487	4.2
291.05072	6.4
297.06210	13.1
297.09619	2.3
299.05112	2.0
299.07968	1.9
309.06107	35.7
310.06494	2.7
315.07199	2.7
315.10715	3.1
323.07855	1.9
327.07187	48.4
328.07343	1.5
329.06689	3.9
332.07938	2.1
345.08087	8.5
347.11200	9.5
349.09116	2.5
350.09152	2.5
351.07266	1.6
358.16318	1.6
361.09488	1.7
363.10852	6.8
365.12329	51.3
366.12613	1.7
369.08316	1.9
370.12936	1.4
381.11719	3.5
383.13419	100.0
384.13641	4.8
388.13995	7.0
401.14578	28.6
402.11600	1.9
406.15036	8.2
407.13614	6.1
425.14471	29.5
443.15408	9.7
448.16083	5.5
449.19214	2.0
466.15735	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3474
Annotation	Gibberoketosterol
Peak:m/z	Relative Intensity
51.38070	0.9
53.03934	1.4
55.05514	13.7
57.03427	1.0
57.07079	9.7
57.15607	1.0
60.63726	0.9
64.25758	1.0
67.01867	2.2
67.05503	5.5
69.07077	30.0
70.88893	2.4
70.89309	1.0
71.08634	3.9
77.03951	0.9
79.05483	3.8
81.07059	14.3
83.04999	1.9
83.08625	15.3
85.02856	0.9
85.10172	3.8
91.05483	4.1
93.07060	9.3
95.08612	12.3
95.16521	1.1
97.10177	10.5
105.07049	3.4
107.07943	1.0
107.08606	3.1
109.06520	3.8
109.10142	5.6
111.11700	5.1
119.04947	1.0
119.08571	2.9
121.06492	2.4
121.10168	2.4
123.08098	1.9
123.11739	3.7
123.31683	1.0
125.13301	1.2
131.08592	1.7
133.10150	1.9
135.08052	1.2
137.05991	13.7
137.13239	2.4
139.03886	1.2
139.07524	4.9
143.08572	1.1
145.10115	1.8
146.69734	1.0
147.00287	1.1
147.08044	1.9
147.11688	1.1
149.06010	4.0
149.09637	1.7
151.07556	24.0
158.81165	1.0
159.08154	1.3
161.05978	4.6
161.09665	1.2
165.05484	9.4
165.09084	8.5
167.07051	100.0
175.07559	4.3
177.09161	4.8
179.07034	2.5
179.10667	2.3
181.08604	4.1
183.00146	1.0
185.09610	1.8
187.11058	1.4
188.08315	1.4
189.09074	5.6
191.07063	4.2
191.10684	2.7
192.07884	1.9
193.08577	6.8
203.10713	4.4
205.08582	12.6
205.12352	2.9
207.10170	11.0
209.04478	2.5
215.10669	1.3
217.12267	2.4
219.10254	4.9
221.11755	4.1
229.12268	1.1
231.13918	1.7
233.11655	2.4
235.13414	2.3
247.13297	2.0
261.14661	1.1
263.16354	1.5
277.17966	1.1
291.19601	2.6
401.33997	1.6
411.32532	3.3
429.33856	14.4
447.27844	2.0
447.34686	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	447.3473
Annotation	Di-n-decyl phthalate
Peak:m/z	Relative Intensity
54.01703	0.6
55.01860	0.6
55.05516	1.2
57.07078	6.5
67.05494	1.1
69.07063	1.3
71.08641	5.0
71.55215	0.8
73.26391	0.5
79.05469	1.3
81.07047	2.6
81.69095	0.7
83.08615	0.8
83.93008	0.6
85.10163	1.5
90.42497	0.5
91.05539	0.6
93.07050	1.3
95.01321	1.5
95.08593	1.3
99.00817	11.5
99.04446	1.9
107.04973	1.0
107.08599	1.2
109.02846	0.6
109.10181	0.7
113.02382	1.8
117.01870	1.1
119.08606	1.0
121.06511	0.8
121.10085	0.7
123.04456	0.6
125.06004	1.1
131.08543	1.0
131.57092	0.6
133.16333	0.6
135.04381	1.1
135.08067	1.2
135.11723	0.5
137.05989	1.2
139.07436	0.6
149.05995	0.8
151.07484	0.7
153.05461	2.5
159.11653	0.7
163.07544	2.4
177.09090	1.7
181.04974	15.5
183.06543	1.0
191.07037	1.4
191.10628	0.9
195.06544	31.8
205.08478	1.3
209.08121	16.5
223.09689	15.2
237.11250	11.7
251.12827	9.1
265.14349	4.3
279.16000	1.6
293.17477	2.4
307.19202	1.8
321.20688	1.6
335.22122	1.1
447.34723	100.0
448.34698	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	447.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.5
55.01867	10.5
55.05273	2.1
55.05514	32.6
56.96555	6.4
57.03438	13.2
57.07078	2.0
61.02928	3.9
65.03939	2.6
67.05508	66.2
69.03423	7.4
69.07076	15.2
71.01362	2.8
71.04988	4.7
71.36732	2.3
71.37082	2.7
73.02887	2.4
79.05495	60.9
81.03419	61.6
81.07057	41.0
83.04995	12.2
83.08634	20.9
85.02895	5.2
85.06536	3.8
91.03958	2.5
91.05486	48.0
93.07047	49.0
95.04974	37.0
95.08620	16.1
97.02890	5.4
97.06534	7.3
97.10171	19.7
98.97586	2.0
99.04478	2.6
105.07034	33.7
107.04957	17.5
107.08601	33.4
109.06516	7.1
109.10155	11.4
111.04417	3.0
111.08061	8.4
115.05441	3.5
117.07021	20.2
119.04933	1.9
119.08580	22.1
121.06499	16.8
121.10140	7.9
123.08063	4.0
125.09625	11.9
127.03877	2.5
128.06192	2.5
129.07019	17.3
131.04922	3.1
131.08574	21.7
133.06494	7.4
133.10114	10.3
135.08054	5.9
135.11702	32.3
137.09569	4.6
141.06970	6.8
142.07753	2.8
143.08554	11.1
145.06465	11.9
145.10120	14.8
145.48885	1.7
147.08058	8.0
147.11676	7.9
149.09605	7.3
149.13242	2.3
155.08563	6.6
157.10103	12.0
159.08054	5.2
159.11687	4.0
161.09560	3.7
163.11243	13.4
165.12798	2.1
167.08521	2.6
168.09412	2.1
169.10071	4.3
171.11734	2.2
173.09619	2.7
173.13239	3.8
175.11154	10.6
181.12267	5.9
183.11708	6.7
185.09633	3.2
185.13261	8.0
187.11151	4.3
189.09163	2.5
189.11177	4.0
193.10445	3.0
193.12250	32.8
197.13213	2.5
199.11134	3.2
201.12758	3.5
203.14359	7.9
207.11847	1.7
211.11194	2.3
211.13232	2.6
219.13826	3.1
225.12740	3.1
227.12737	4.4
239.14436	2.1
243.13799	3.0
249.14883	5.0
257.15378	2.6
267.09067	4.6
267.15863	2.3
268.09460	3.1
269.10635	4.5
273.14734	3.6
275.20236	1.7
285.10153	4.7
286.10641	2.0
315.61166	2.4
316.11526	3.3
316.61951	4.8
319.20721	1.9
327.23148	3.4
329.01996	1.9
329.21133	5.7
337.21732	9.8
347.22031	2.4
355.22745	29.3
373.23734	13.7
403.24692	4.3
411.25146	2.8
421.68198	2.7
429.26266	23.8
437.68689	2.0
447.27417	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.6
55.01871	7.2
55.05515	33.2
56.96576	4.2
57.03451	12.5
61.02924	4.9
65.03926	4.9
67.05177	3.9
67.05512	63.5
69.03436	7.4
69.07076	17.6
70.13530	9.3
71.01333	3.3
71.04993	6.6
79.05069	4.1
79.05500	62.2
81.03423	75.9
81.07059	47.8
83.04987	15.7
83.08624	23.9
85.02913	7.3
85.06512	4.6
91.05485	63.1
92.32651	2.4
93.07050	50.1
95.04975	50.3
95.08614	20.3
97.02897	5.7
97.06542	12.1
97.10191	16.8
99.08133	2.7
105.07041	34.4
107.04941	15.6
107.08605	36.7
109.06549	6.9
109.10132	11.2
111.08092	8.2
115.05445	3.6
117.07018	20.5
119.04935	4.1
119.08607	26.9
121.06533	18.2
121.10154	13.1
123.08046	4.4
125.09628	8.7
127.03980	2.9
129.07021	17.2
131.04912	2.9
131.08591	21.4
133.06526	8.6
133.10112	15.4
135.08020	6.6
135.11711	32.8
137.06000	5.0
137.09671	2.9
141.07013	8.8
143.08572	11.5
145.06496	12.2
145.10165	13.0
147.08044	7.7
147.11699	9.2
149.02316	5.8
149.09616	6.2
155.08595	5.6
157.10173	13.2
159.11676	5.7
161.09702	4.2
162.88725	2.4
163.11206	11.3
167.08557	3.0
169.10188	4.6
171.11684	3.8
173.09586	3.2
175.11186	10.5
181.12187	3.1
183.11687	5.9
185.13283	9.1
187.11320	3.2
189.11212	9.0
193.12257	29.5
194.14845	2.5
199.06564	2.7
201.12781	4.1
203.14322	6.4
211.11217	4.1
211.13199	4.3
225.12692	3.8
249.14873	3.7
257.15466	2.8
327.23282	3.5
329.21136	7.0
337.21552	13.4
349.16983	5.6
355.22797	29.3
367.17990	6.1
373.23688	10.9
403.24805	6.7
429.26413	19.9
447.17477	6.7
447.27460	100.0
448.27753	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	447.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	10.3
56.05038	10.1
56.96562	1.6
57.03441	2.3
57.05823	1.8
58.06606	7.2
69.03437	3.4
69.07069	3.5
70.02982	1.4
70.06599	4.0
71.55479	1.4
72.08163	100.0
73.04753	1.2
73.08498	1.0
74.02525	0.9
74.06089	54.5
82.06594	1.5
83.15953	0.9
84.04507	7.9
84.08152	1.0
84.41035	0.7
85.02911	3.7
86.06072	1.1
86.09715	30.4
87.10072	1.0
88.04004	4.1
91.05809	2.4
97.02921	1.8
98.05980	0.9
98.09697	1.5
98.97597	3.2
99.09246	1.0
100.07639	1.7
101.07155	3.2
101.07758	0.9
102.05529	1.0
104.42712	0.8
110.06043	1.9
112.03999	1.0
112.11266	2.4
116.03463	1.4
116.07094	1.1
124.07622	2.5
124.11241	1.0
125.07045	0.8
126.05529	5.7
127.03936	0.9
127.08689	1.8
129.06601	3.0
130.05025	2.3
131.04996	0.9
132.10213	16.2
133.04982	0.8
136.03984	1.3
136.07632	1.1
137.02376	0.9
138.05530	1.9
139.03891	1.2
141.10271	1.1
141.13860	2.4
142.08633	1.4
142.12251	1.7
143.04547	0.8
143.11790	1.4
144.06572	15.2
149.02425	1.2
150.56546	0.8
150.92870	0.8
152.10756	1.1
155.08286	0.8
158.11761	2.2
159.11249	0.9
167.05641	0.9
169.09744	10.4
169.13397	5.0
171.07684	3.4
175.08691	0.8
184.94353	0.8
187.10820	11.3
187.14435	11.0
189.08678	6.9
196.07736	1.2
197.12915	6.6
199.07051	1.2
201.12437	1.5
202.09535	1.0
215.10332	22.4
215.13881	23.6
217.08194	10.2
221.31049	0.8
233.14998	45.5
243.13429	3.4
249.22368	0.8
250.37206	0.8
267.08789	0.8
271.12628	0.9
272.12585	1.9
284.16104	3.6
285.07526	3.4
298.14029	2.9
312.15503	1.1
316.15192	10.8
330.16605	18.1
339.20245	1.1
348.17877	1.9
361.02798	1.1
365.21857	1.9
383.23010	1.6
411.22397	3.5
429.23529	8.7
447.18143	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	447.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	8.9
55.01871	8.6
55.05273	2.3
55.05517	33.0
56.96567	2.5
57.03440	13.8
57.07076	2.2
60.59855	1.7
61.02921	2.6
65.03937	3.3
67.05508	61.6
69.03427	6.4
69.07077	11.2
70.99171	3.9
71.01358	3.5
71.04987	7.2
73.02898	1.7
79.05499	61.0
81.03424	89.3
81.07062	44.2
83.04993	10.5
83.08629	20.0
85.02914	4.4
85.06532	4.3
91.05485	49.2
93.07047	56.9
95.04975	45.9
95.08627	17.4
97.02891	5.8
97.06538	11.7
97.10172	17.2
103.05464	2.0
104.88126	1.5
105.04514	2.5
105.07050	28.8
107.04977	15.5
107.08595	33.2
109.02842	1.9
109.06517	6.6
109.10170	9.4
111.04427	2.4
111.08095	8.9
115.05482	4.5
117.07021	10.6
119.04956	2.1
119.08578	20.4
121.06504	11.1
121.10165	12.8
123.08051	4.6
125.09624	9.9
128.06201	3.4
129.06998	18.4
131.08574	19.6
133.06480	6.9
133.10132	11.1
135.08060	6.5
135.11703	39.5
137.09631	3.7
141.06992	4.9
142.07817	4.0
143.08562	7.3
145.06493	7.7
145.10152	14.9
147.08086	8.0
147.11743	8.1
149.09631	7.5
153.12772	2.8
155.08553	4.7
157.10153	14.3
159.08070	3.6
159.11679	4.2
161.09602	2.2
163.11226	8.2
165.12758	2.9
167.08537	1.9
169.10164	3.3
171.08049	1.8
171.11688	2.4
173.09619	3.5
175.11188	10.7
181.12367	4.2
183.11694	4.2
185.09621	3.3
185.13257	6.2
187.11250	4.2
189.11226	6.0
193.10454	2.0
193.12251	31.1
195.11742	2.5
201.12772	2.3
203.14354	6.2
205.12251	2.8
211.13177	2.1
211.14955	2.1
213.12862	2.3
215.14334	1.6
227.12758	2.8
231.13850	2.3
243.13858	3.3
249.12419	1.5
249.14888	7.5
260.05966	1.7
268.83347	1.9
269.10654	1.7
285.10123	3.8
309.44730	1.6
311.10965	2.0
315.86420	1.6
324.61804	3.1
327.23190	2.2
329.21115	11.8
337.21631	7.2
347.22391	2.8
355.22678	19.7
373.23779	9.3
391.25204	2.0
403.24771	10.4
429.26184	12.7
433.48740	1.8
447.27438	100.0
448.27631	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	447.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	34.5
69.76684	10.4
69.77095	4.2
72.43755	2.8
79.05493	4.0
81.07057	3.2
98.21516	3.6
119.08564	4.0
121.06431	3.1
183.03273	4.1
203.00116	5.3
217.01808	3.4
221.01199	8.5
263.05945	4.3
269.90332	2.5
277.03763	3.0
285.10278	3.1
303.05396	4.3
325.07471	4.3
327.09137	5.8
337.62463	2.9
345.10199	8.4
349.07230	2.9
363.05334	6.0
373.07486	7.1
377.03027	6.4
377.07306	6.1
381.06262	3.6
391.08508	7.5
392.05670	5.1
395.08084	5.7
396.08832	10.0
405.13635	5.4
409.09775	4.7
429.13705	13.0
447.14804	44.3
465.15921	100.0
466.16022	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	447.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01881	0.7
55.04095	0.4
55.05524	3.7
56.96565	1.3
57.03431	1.2
61.02913	0.9
65.32496	0.4
67.05183	0.4
67.05511	5.5
69.03431	1.1
69.07069	2.0
71.04990	2.4
71.47194	0.7
73.06559	0.5
79.05495	4.2
81.03430	3.3
81.07061	4.4
83.04982	1.2
83.08615	1.6
85.02911	1.0
85.06536	1.2
91.05474	5.1
93.07047	3.7
95.04971	2.4
95.08611	2.0
97.02882	0.6
97.06508	0.6
97.10163	2.0
105.07043	3.3
107.04974	2.0
107.08605	4.3
109.06517	1.1
109.10162	1.5
117.07050	1.4
119.08611	2.0
121.02962	0.4
121.06511	1.7
121.10164	0.7
123.08101	0.5
125.09648	3.2
129.07027	1.6
131.04942	0.5
131.08571	1.7
133.06505	0.7
133.10144	1.5
135.08069	1.1
135.11714	1.4
136.24525	0.4
141.07007	0.4
143.08557	0.9
143.10669	1.5
145.06496	1.6
145.10143	1.3
147.11664	0.5
149.09637	0.8
157.10231	0.6
159.08092	0.5
159.11713	0.8
163.11174	1.2
165.08885	1.7
169.10196	0.7
175.11179	0.6
185.13321	0.7
189.11208	0.8
193.12328	1.2
203.14397	0.4
219.13657	0.6
229.07587	0.5
261.14795	0.4
275.16525	0.7
291.06461	0.7
305.07852	3.5
309.11050	0.5
327.12112	3.9
329.14139	0.4
337.21667	1.2
347.15274	1.2
349.16824	1.0
355.22659	2.0
365.16266	0.8
367.17899	0.9
373.23599	0.9
391.02612	0.5
424.14667	0.9
429.16626	0.6
429.26364	1.8
447.17828	100.0
447.26675	6.4
448.18185	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2229
Annotation	Dendroside G
Peak:m/z	Relative Intensity
53.03947	5.9
55.01869	6.5
55.05521	13.3
57.03442	23.2
61.02645	3.9
61.02934	61.5
67.05508	26.9
69.03438	26.8
69.07069	16.2
69.07381	2.5
71.01359	3.8
71.04987	10.0
73.02924	25.1
79.05496	17.0
81.03438	21.5
81.06585	4.8
81.07064	90.6
83.04981	9.1
83.08614	9.7
83.37424	2.8
85.02909	53.5
85.06541	3.5
87.04456	4.7
91.03963	34.8
91.05495	24.6
93.07080	13.2
95.04982	4.9
95.08607	17.6
97.02904	38.1
97.06538	10.7
97.92545	2.6
98.20731	6.1
99.04453	9.3
99.08083	4.6
101.02385	11.9
103.03947	6.4
103.05490	2.7
105.07040	39.1
107.04967	5.2
107.08620	16.6
109.02879	10.6
109.06500	5.7
109.10197	2.5
113.05983	3.8
115.03969	4.0
116.98670	2.4
119.08583	34.0
121.10164	23.3
123.08025	3.2
123.11721	28.7
127.03908	24.4
127.07614	5.2
129.24434	3.1
133.10168	4.6
137.13243	3.8
141.09138	3.5
145.04944	6.2
147.11700	100.0
150.06886	2.7
151.03807	2.7
159.06509	3.4
165.12776	60.4
169.04747	2.8
175.11185	5.7
183.06544	7.8
183.13815	14.0
193.12248	5.7
201.05655	2.5
201.07579	5.8
229.14310	23.9
267.15921	33.5
285.16977	65.7
309.16754	3.8
313.16263	3.9
327.17868	3.3
351.13632	2.7
411.20187	5.8
429.21387	3.6
447.22079	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	447.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14304	4.3
52.80991	3.7
56.96552	6.0
57.87418	4.3
67.05520	7.2
70.94215	5.4
70.94538	4.3
74.81452	4.6
81.07065	6.0
86.03095	4.5
117.88071	4.5
162.00723	4.1
171.32063	4.8
179.61702	4.0
219.59744	4.5
230.43077	5.4
233.65363	5.2
243.01900	4.8
344.04977	4.9
401.11572	7.4
447.18008	100.0
447.27026	7.4
465.15561	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	447.1292
Annotation	Cytisoside
Peak:m/z	Relative Intensity
53.03940	1.0
55.01862	1.3
55.05488	1.2
56.96547	2.4
57.03409	2.3
61.02932	3.6
63.44196	0.5
65.03941	0.7
67.05483	2.3
69.03400	2.1
69.07040	1.8
69.39489	1.0
69.39892	4.1
70.56398	0.6
73.02895	1.9
79.05466	2.2
81.03430	3.0
81.07055	3.2
82.70353	0.5
83.08603	0.7
85.02917	6.1
91.03951	1.2
91.05460	2.1
93.07035	1.9
93.25521	0.7
95.04952	1.4
95.08601	1.6
97.02876	2.2
98.97576	0.7
99.08131	0.7
103.03955	1.3
105.06998	2.2
107.04935	0.8
107.08624	0.8
107.14393	0.6
109.02875	1.7
109.10188	0.9
119.08545	1.8
121.02853	1.0
121.06523	1.6
121.10110	1.1
123.04394	0.9
123.11734	0.7
127.03941	1.1
129.06990	0.7
131.08582	0.9
132.05684	2.3
133.06499	1.5
133.10149	1.3
135.04399	3.5
147.04454	1.1
147.11711	1.2
149.02347	1.4
151.07576	0.9
163.03874	1.0
165.01860	3.2
165.06973	0.9
166.02617	1.6
167.03389	1.8
173.02368	1.1
175.03958	0.7
176.01003	0.9
182.07251	0.8
184.03702	1.0
185.04871	0.7
193.12215	1.2
197.09662	1.1
208.03802	0.9
209.09521	0.7
210.06798	1.3
211.13335	1.3
221.05920	0.9
224.08374	0.6
225.09157	1.2
237.05289	1.1
238.06358	0.9
241.07590	1.1
243.06638	1.3
243.08954	0.9
251.07109	1.4
252.07964	0.7
253.08644	6.1
254.05699	4.3
259.08542	2.8
266.05756	1.6
267.08975	5.0
269.04446	1.0
269.08041	1.3
279.06717	1.2
280.07336	2.1
281.08115	11.3
282.05225	5.7
283.05984	2.7
284.06860	3.9
285.07513	3.9
285.10153	7.9
285.16895	1.4
291.06607	1.2
293.04749	0.8
293.07983	1.0
294.05176	1.8
294.08762	1.0
295.06232	1.0
295.09680	5.4
297.07593	100.0
298.08221	6.9
305.08264	0.8
308.06784	2.2
309.07639	14.4
309.11053	1.5
310.07886	0.8
311.05695	0.8
311.09641	1.0
312.06113	0.8
319.09717	2.5
321.07684	3.5
322.08334	1.0
323.05600	2.7
323.09116	19.5
324.11566	2.0
324.61649	1.3
325.06985	1.2
327.08655	84.6
328.09085	2.1
333.07559	0.7
334.08279	0.8
335.09253	1.3
337.07269	1.0
337.10843	6.9
337.50577	0.7
347.09241	3.8
351.08673	40.6
352.09061	1.9
363.08731	13.7
365.10242	1.4
375.08624	11.6
381.09714	12.1
393.09695	18.0
411.10800	13.1
429.11972	4.1
438.18375	0.8
447.12784	1.3
447.21140	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	447.129
Annotation	Glycitin
Peak:m/z	Relative Intensity
53.03932	0.3
53.33391	0.2
55.01849	0.4
55.05515	1.2
56.96533	0.9
57.03415	0.4
57.07045	0.3
59.04964	0.6
61.02931	1.4
67.05509	2.2
69.03396	1.1
69.07082	1.2
69.37082	0.5
69.37504	1.4
71.04971	0.2
73.02883	0.7
79.05496	1.9
81.03426	2.1
81.07067	3.1
83.04947	0.8
83.08578	1.0
84.78330	0.3
85.02920	2.1
85.06538	0.4
91.03929	0.6
91.05479	2.1
92.04302	0.3
93.07053	1.8
95.04972	1.7
95.08616	2.2
97.02892	1.2
97.06496	0.6
97.10157	0.6
98.97556	0.7
99.04419	0.4
103.05417	0.4
104.01056	0.3
105.07034	1.7
107.04927	0.8
107.08614	1.5
109.02878	0.4
109.06475	0.8
109.10165	1.4
111.04422	0.4
111.08054	0.3
117.07010	0.7
118.04119	1.4
119.04916	0.3
119.08588	1.2
121.02858	0.6
121.06451	0.7
121.10155	1.3
123.04443	2.2
123.07980	0.3
123.11684	0.6
124.01564	1.0
124.05136	0.3
125.09631	0.6
127.03907	0.6
129.06993	0.6
131.08543	0.9
133.06468	1.1
133.10077	0.7
135.08014	0.4
135.11652	0.6
137.05951	0.6
137.13225	0.4
139.03876	0.7
145.06454	0.4
145.10109	0.7
147.11700	0.7
149.02348	2.1
149.05899	0.3
149.09663	0.4
151.03957	1.5
151.07538	0.5
152.01064	2.8
153.01828	1.7
153.05412	0.4
155.08571	0.4
157.10143	0.4
158.03615	0.8
159.07996	0.4
159.11729	0.6
161.09587	0.3
163.03854	0.3
163.11198	0.4
165.09175	0.4
167.07043	0.4
170.02129	2.9
175.11218	0.5
177.00729	0.3
177.09174	0.3
179.03354	0.9
187.11128	0.5
187.49545	0.2
193.12234	0.9
197.05980	0.5
201.05452	0.3
208.74297	0.3
211.13333	0.6
213.05498	1.9
214.06139	0.4
223.80276	0.3
229.08617	3.8
241.04951	0.6
242.05759	3.3
246.05281	0.3
248.83275	0.3
251.11349	0.4
252.04185	0.5
252.11499	0.4
253.04961	3.4
257.04715	0.3
257.08038	0.5
261.03998	0.4
267.09018	0.7
267.15836	0.4
269.04456	3.0
269.12225	1.7
270.05240	5.2
270.12573	1.4
271.12115	0.7
283.06076	0.6
285.07587	100.0
286.07883	2.3
289.03412	0.6
300.28403	0.3
303.04819	0.5
314.04221	0.3
314.67108	0.4
316.62662	0.3
317.03015	1.3
323.60843	0.4
324.11526	0.8
324.61578	0.4
328.05801	0.4
331.04382	0.4
332.05283	0.8
337.21542	0.4
345.06140	0.9
346.06857	0.5
347.03983	0.9
355.22589	0.8
356.05292	1.2
357.06104	1.3
359.07471	0.6
360.04630	0.4
371.07684	2.2
373.05585	1.2
373.23541	0.3
375.07074	3.0
387.10840	0.6
401.12326	0.8
429.11765	0.5
447.12900	18.0
447.22003	3.3
447.27441	1.5
448.13062	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	11.2
54.15879	4.6
55.01874	9.7
55.05522	63.1
57.07081	78.2
59.87135	5.5
62.63713	4.3
67.05520	30.7
69.07074	91.9
71.08640	51.2
79.05497	23.2
81.07059	88.7
83.01341	12.3
83.04996	14.2
83.08626	65.7
85.10184	24.0
91.05473	19.7
93.07052	44.7
95.08615	56.5
97.10162	39.8
98.21606	11.4
99.11755	8.3
105.07024	12.1
107.08598	30.6
109.06525	46.9
109.10168	29.8
111.08076	16.5
111.11737	28.3
113.10603	5.4
119.08591	16.7
119.21310	6.0
121.06514	11.3
121.10165	19.9
123.08062	19.7
123.11694	18.8
124.05209	6.3
125.06034	7.4
125.13270	9.0
131.08601	7.1
133.10120	12.1
134.52542	5.9
135.08040	18.6
135.11674	10.4
137.05995	60.2
137.09712	7.2
139.07545	100.0
147.11717	6.1
149.09613	18.8
149.13284	13.3
151.07602	31.3
157.10115	12.7
161.09688	11.3
163.07603	9.0
163.11069	7.0
163.14783	12.8
165.05417	11.9
165.09109	62.0
167.07080	10.2
171.11653	8.8
175.11174	17.6
177.09145	14.6
181.08676	6.3
185.13284	6.4
185.35742	5.4
189.09181	7.4
189.12822	18.7
193.08655	14.6
202.09930	12.9
203.10683	23.5
203.14404	9.0
207.13905	11.7
221.15352	7.8
229.52844	8.7
231.13683	8.8
289.28870	9.6
307.29932	15.0
344.21158	5.8
385.34521	15.9
399.36194	12.9
400.16290	5.8
403.35828	9.9
417.37268	26.0
427.35703	22.6
445.36877	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	446.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.18585	0.5
69.03426	0.6
70.06586	1.7
70.71639	0.7
70.71967	1.0
72.08135	0.9
73.04762	1.4
80.21828	0.5
82.73193	0.4
84.04533	0.6
85.02921	0.8
86.09750	0.6
86.70789	0.4
87.04484	0.6
89.61740	0.6
91.05779	2.2
97.02893	0.8
98.97601	0.7
103.05479	37.0
118.19425	0.5
129.10228	0.7
131.04939	100.0
132.05319	1.0
147.04395	0.8
152.06998	0.6
162.66867	0.4
163.07558	42.7
167.05583	0.5
177.05524	0.7
341.36652	0.5
359.02951	0.7
360.02951	1.9
439.10245	0.6
446.20868	1.4
447.14648	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.1
58.34183	1.1
61.26897	0.8
67.05502	2.9
67.52052	0.9
69.07068	1.5
71.15799	1.1
71.16132	1.7
72.19608	0.9
81.07050	1.9
83.08640	1.6
84.64170	0.9
93.07071	1.5
93.49929	0.9
95.08617	2.0
97.10184	1.0
109.10175	3.4
119.08592	2.3
121.06525	9.5
122.07341	1.6
135.08104	1.8
136.08850	14.3
137.09641	11.2
149.09642	1.8
150.09995	1.0
151.07579	1.1
164.06931	1.1
164.07243	0.7
164.08344	35.6
165.09123	100.0
166.09506	5.5
177.09131	1.1
186.20950	0.8
189.09128	1.1
190.09804	1.5
191.10538	1.0
203.10727	1.3
205.12225	6.1
252.94409	1.0
392.13712	1.1
403.19208	1.3
412.50906	0.9
428.36554	49.8
429.36670	1.9
431.18497	3.0
446.20810	10.0
446.37537	25.4
447.21182	1.7
447.37363	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.0
55.01873	4.3
55.05521	17.6
56.96564	3.7
57.03446	2.8
57.07080	2.2
65.03938	3.9
67.05510	43.2
67.26145	1.0
69.03459	1.5
69.07083	12.1
71.04998	4.3
71.55636	2.1
73.02948	1.4
73.56868	1.2
79.05505	40.2
79.05964	2.0
81.03430	4.1
81.06585	2.2
81.07065	40.2
83.04973	3.6
83.08627	7.7
85.02905	1.6
85.06568	2.1
91.05484	59.9
93.07054	37.4
95.04968	7.6
95.08620	24.8
97.06538	4.7
97.10185	3.3
103.05453	1.9
105.07039	50.4
107.04951	4.8
107.08607	17.7
109.06519	4.6
109.10182	9.3
111.08146	1.7
114.07424	1.3
115.05474	4.6
117.07033	25.9
119.08588	31.4
121.06509	6.9
121.10168	10.7
123.04451	1.3
123.08083	2.9
125.09655	1.6
128.06219	2.7
129.07025	19.2
130.07741	1.4
131.08583	40.5
133.06497	3.7
133.10141	15.7
135.08087	4.3
135.11708	7.4
137.09656	1.9
141.06975	7.1
142.07822	3.3
143.08586	17.1
145.06511	3.4
145.10132	19.9
147.08112	4.7
147.11700	5.1
149.09575	2.6
149.13287	1.7
154.07849	1.3
155.08594	8.7
156.09448	1.7
157.10156	10.5
159.08051	2.2
159.11696	10.2
161.09677	2.0
161.13260	2.7
163.11195	2.4
167.08611	2.9
168.09352	1.3
169.10092	7.6
171.08275	1.6
171.11694	8.2
173.13284	2.8
175.11235	1.6
175.14813	1.9
181.10202	5.2
183.11765	4.0
185.09715	1.3
185.13312	5.0
187.14896	3.0
189.12714	1.6
195.11723	4.8
197.13324	5.4
199.11394	1.4
199.14783	3.5
201.12823	2.0
203.00255	2.0
205.15836	1.6
209.13286	4.0
211.14836	4.4
213.12793	2.8
213.16385	1.6
215.14404	1.7
219.13763	1.5
221.01270	2.7
223.14766	3.0
227.14323	2.7
229.15848	2.3
235.17017	1.9
237.16287	1.2
241.15971	2.2
245.15323	2.2
247.17006	3.1
255.17421	1.4
259.17017	2.6
261.18588	2.9
277.07632	2.6
287.20209	1.4
295.08621	1.5
325.03842	1.4
325.25366	3.6
326.04584	1.3
329.03198	1.8
330.04089	2.4
333.24323	1.1
335.23645	5.6
343.05338	1.3
343.26401	4.6
353.24771	17.9
359.03021	2.2
363.08899	1.3
371.25836	19.0
381.10416	3.6
389.26880	17.5
399.11206	24.0
400.11978	1.4
417.12378	5.1
422.12988	1.5
427.28430	4.3
445.29572	100.0
446.30008	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	445.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	5.1
55.01855	5.8
55.05514	19.8
56.96556	3.2
57.03426	3.3
57.07073	2.3
65.03919	3.4
67.05505	47.0
68.76933	1.2
69.03420	2.7
69.07067	16.0
70.35857	1.2
70.56046	1.3
71.04984	2.6
71.14148	1.3
71.55104	1.2
79.05495	42.6
80.77377	1.2
81.03395	4.0
81.06592	2.2
81.07055	43.8
83.04966	4.9
83.08618	8.5
83.86141	1.4
85.02914	1.5
85.06525	3.7
91.05475	56.3
93.07043	41.9
95.04977	7.9
95.08609	24.1
97.02867	1.5
97.06535	5.7
97.10146	4.0
98.21477	5.1
103.05457	2.6
105.07032	53.6
107.04929	5.2
107.08588	20.2
109.06504	3.3
109.10152	11.2
111.08099	1.6
115.05383	3.3
117.07015	28.9
119.04937	2.5
119.08585	31.8
121.06485	4.7
121.10155	11.3
123.08023	4.3
125.09626	1.7
128.06189	5.3
129.07010	19.9
130.07771	2.3
131.01195	1.6
131.08568	42.9
133.06465	3.4
133.10126	15.5
135.08008	4.3
135.11652	6.5
137.09518	1.6
141.06976	7.8
142.07744	3.3
143.08566	20.0
145.06448	3.3
145.10114	25.6
146.29738	1.4
147.04385	4.4
147.07936	3.5
147.11711	7.2
149.02332	18.1
149.09630	3.8
149.13239	2.1
151.11145	1.3
153.01804	2.3
153.09151	1.7
155.08572	8.8
157.10112	13.8
159.07993	3.1
159.11691	10.5
161.09587	2.6
161.13205	2.6
163.11043	1.6
165.05429	2.7
165.09097	1.4
165.12769	1.4
167.02126	2.3
167.03409	22.7
167.08559	5.0
169.10123	6.7
171.11630	8.0
173.09625	2.5
173.13205	3.4
181.10057	4.5
182.10733	1.4
183.11658	7.0
185.13347	6.6
187.14723	3.1
189.01909	1.5
195.11705	3.7
197.13286	4.3
199.14851	2.0
201.12840	1.8
201.16476	1.3
205.07556	1.5
209.13261	3.3
211.14809	5.4
215.14241	2.7
223.14728	3.6
225.00629	1.4
225.16409	2.7
227.14281	2.1
229.17795	1.9
237.16411	2.3
239.91888	1.5
245.15442	1.8
247.16986	3.0
255.17351	3.0
259.16959	3.4
261.18515	2.4
269.08099	11.3
271.17044	1.6
273.18546	2.7
325.25113	3.4
333.11237	1.8
335.23718	5.3
343.04742	1.5
343.26257	6.2
353.24704	18.6
355.15643	3.9
371.25815	20.0
389.26840	17.0
407.63577	1.4
427.28110	2.8
445.20361	23.6
445.29465	100.0
446.19559	1.5
463.14029	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	445.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.9
53.03946	4.2
55.01881	5.6
55.05516	16.4
57.03433	3.8
57.07081	1.3
65.03932	3.7
67.00494	1.0
67.05511	43.3
69.03431	2.5
69.06732	1.1
69.07079	15.0
69.74435	0.9
71.04993	3.4
71.55491	1.5
73.04764	1.2
77.03913	1.6
79.05499	38.6
81.03419	3.0
81.07064	37.2
83.04984	3.5
83.08619	8.2
83.79038	1.0
85.06526	2.9
86.33956	0.9
91.05481	52.5
91.77235	1.1
93.07053	36.6
95.04992	5.4
95.08613	24.9
97.06531	3.7
97.10177	3.1
103.05456	2.4
105.03391	2.3
105.04633	1.2
105.07039	49.6
107.04971	4.6
107.08601	18.7
109.06538	6.2
109.10156	10.6
111.08073	1.9
115.05469	4.1
116.06255	1.7
117.07024	23.0
119.06068	1.4
119.08593	28.2
121.06517	7.0
121.10155	10.6
123.08096	1.3
125.09653	2.3
128.06236	5.2
129.07011	19.8
130.07782	1.1
131.07587	2.0
131.08575	41.1
133.06485	3.9
133.10138	15.0
135.08076	3.4
135.11717	5.7
137.09613	1.8
141.07024	6.6
142.07779	3.1
143.08575	15.8
145.06494	2.7
145.10126	22.4
147.08032	2.7
147.11714	6.1
149.09624	3.8
149.13260	1.2
151.11200	1.9
155.08597	8.2
157.10162	11.4
159.08118	2.6
159.11700	10.6
161.09645	2.6
161.13246	2.9
163.11183	1.3
167.08580	3.7
169.10127	8.2
171.08101	1.9
171.11688	9.0
173.09680	2.0
173.13292	5.3
175.11116	1.4
178.30652	1.0
181.10155	3.0
183.11678	5.2
185.13252	5.0
187.14781	2.5
195.11711	3.5
197.13271	5.8
199.11208	2.0
199.14880	2.5
201.12723	1.8
203.14270	1.4
207.03159	1.1
209.13335	2.5
211.14833	4.1
213.02554	1.8
213.12741	1.8
213.16426	2.5
223.14848	4.3
227.14412	1.6
231.17596	1.1
233.15450	3.2
236.24699	1.0
237.02457	2.2
237.16522	1.4
239.04073	1.1
241.15913	2.3
247.16986	3.2
249.16585	1.3
255.17378	1.3
259.16962	2.7
261.18420	1.8
269.19055	1.1
273.18488	2.4
283.37680	1.4
297.06091	1.8
301.05615	4.8
313.05499	2.1
325.05579	10.5
325.25281	3.4
335.23740	6.4
343.06583	12.0
343.26312	6.6
349.07739	1.1
353.24774	18.1
357.04712	1.2
361.07748	2.9
363.10773	4.5
371.25797	22.7
377.08572	1.8
379.10181	1.7
380.36166	1.1
381.11847	8.2
389.08728	2.4
389.26962	18.6
393.74271	1.1
395.09494	2.3
397.11328	2.0
399.12918	61.9
400.13184	3.3
417.13989	30.6
418.14441	1.3
422.14319	9.6
427.28284	4.1
445.29535	100.0
446.29849	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01874	2.0
57.03448	1.8
59.05002	1.1
61.02932	4.2
67.05493	1.1
69.03437	11.5
69.07077	2.2
70.06590	6.6
70.85371	1.2
70.85696	1.5
71.04987	2.2
73.02930	1.4
73.04750	1.4
79.05483	1.2
81.03429	6.6
81.07075	1.9
83.04985	1.8
85.02914	21.7
85.06552	100.0
86.09707	8.3
87.04464	1.3
91.03997	1.8
91.05456	1.1
93.07053	2.2
95.04982	2.2
97.02899	7.6
97.06505	1.5
99.04446	1.7
103.07592	4.0
105.07045	2.5
107.04943	2.2
107.08605	2.1
109.02903	4.3
109.06528	1.8
111.08089	2.3
113.06019	0.8
115.77770	0.8
115.78604	0.8
117.07034	0.7
119.04951	1.9
119.08600	4.2
121.02862	6.8
121.06477	1.2
121.10161	2.8
127.03917	3.4
129.07042	1.1
131.08540	1.2
133.10094	1.2
135.08051	1.4
137.09622	1.5
145.02794	0.9
145.04994	2.3
145.10159	4.1
147.08061	2.6
149.09633	1.3
150.49907	0.9
153.09111	2.4
157.13350	1.1
159.11705	1.4
163.11174	8.5
165.09167	0.9
175.03911	1.2
177.01825	2.6
179.10704	1.8
181.12221	9.2
183.14923	1.1
184.24869	0.8
187.14790	1.2
189.01801	0.9
191.03325	1.1
191.10680	9.5
195.02917	3.0
197.05983	1.1
203.03389	3.6
207.02983	1.1
209.11765	8.1
215.03464	0.9
217.05006	1.4
221.04424	1.3
247.16945	4.0
253.05069	1.1
265.18018	67.6
279.06454	1.1
281.04541	1.1
283.05945	1.2
283.19058	12.4
295.06030	23.0
297.07492	1.3
307.05927	2.9
308.06805	1.3
309.04053	0.8
309.07513	1.5
321.07690	6.1
325.07144	5.2
335.09177	2.7
337.07022	2.1
347.09360	1.1
349.07120	9.9
359.02979	1.8
361.07037	3.6
371.09042	1.0
373.07150	1.3
375.08936	1.1
379.07996	2.1
389.10226	2.2
391.08157	4.9
399.08459	1.2
409.09198	7.4
417.09607	3.3
427.08667	3.0
445.09402	17.9
445.19238	5.0
445.24399	6.6
460.43057	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.3
55.05487	0.3
61.73549	0.3
64.68983	0.3
65.03944	4.6
67.05486	0.6
68.61804	0.3
68.99792	3.4
69.03441	0.4
77.03922	0.8
79.01824	0.6
79.05486	0.5
81.03382	0.4
81.07064	0.5
89.03911	1.4
91.05424	0.6
92.99776	0.5
93.03407	2.6
93.07049	0.5
97.02886	0.6
98.20706	0.5
105.03387	1.9
117.03374	0.7
121.02874	6.5
133.02861	10.7
145.02859	16.0
147.00784	0.7
148.20032	0.3
161.02348	0.8
189.01842	49.6
190.02112	0.5
200.97794	0.3
201.01823	7.8
203.03378	0.4
207.02904	100.0
208.03212	1.4
215.03226	0.5
257.08118	1.2
267.59750	0.4
311.12698	0.4
347.12985	0.4
359.47464	0.4
377.13760	0.7
389.13757	1.6
403.18988	0.4
422.16638	0.9
445.20099	19.2
445.29578	0.7
445.40335	0.5
446.20389	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.205
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
54.97665	0.3
55.05496	0.4
56.96564	0.5
60.42570	0.4
60.72330	0.3
64.02334	0.3
65.03619	0.4
67.05502	1.8
69.03434	0.6
69.07071	0.8
71.04996	1.8
71.96943	0.4
72.08117	0.4
79.05494	1.0
81.03411	0.9
81.07068	2.0
85.02901	0.8
91.05470	0.7
93.07041	0.8
95.08611	1.3
97.02926	0.9
98.21552	0.5
98.97602	4.2
99.04511	0.4
105.07047	0.8
107.08634	0.6
109.10204	0.6
116.98626	0.7
119.01970	0.6
123.11777	0.4
127.03944	0.7
131.00116	0.4
131.08597	0.5
133.10126	0.9
137.05879	0.4
143.01953	0.6
145.03407	0.4
149.13336	0.4
151.07564	2.9
158.99678	0.7
167.05716	0.4
173.01303	1.0
177.00787	0.5
178.99548	0.3
187.13190	0.6
215.03847	0.4
257.10675	0.9
257.17496	1.1
275.06265	0.4
277.32751	0.3
299.11749	1.1
321.58847	0.4
331.15710	0.5
333.07935	12.2
343.16171	0.8
359.02911	0.4
385.17261	0.4
445.20462	100.0
446.20828	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1498
Annotation	5-Methoxypodophyllotoxin
Peak:m/z	Relative Intensity
53.03937	1.2
55.01852	0.7
55.05507	1.2
57.03437	1.5
61.02916	0.6
65.03949	0.6
67.05508	3.7
69.03413	1.2
69.07051	1.2
71.04980	0.8
71.55528	1.1
73.04736	1.1
79.05492	4.1
81.03428	1.5
81.07080	2.8
83.04955	0.7
83.08633	0.8
85.02941	0.6
85.06604	0.7
91.05432	3.8
91.77228	0.6
93.07034	2.5
94.04196	1.0
95.04975	1.3
95.08609	1.5
96.67783	0.6
97.02915	1.2
98.97540	0.6
100.59657	0.5
105.07058	3.0
107.04916	0.6
107.08601	1.7
109.06512	0.9
109.10178	0.7
115.05579	0.7
117.07030	2.5
119.08601	1.3
119.80345	0.5
121.02862	1.4
121.06369	0.6
127.03900	0.6
129.07036	1.3
131.08546	3.1
133.10165	1.1
135.04425	0.7
137.05992	0.7
143.08574	1.6
145.06380	0.6
145.10136	1.3
149.02356	1.6
149.06017	1.1
151.11176	0.7
155.03929	0.7
155.07039	1.3
158.12425	0.7
159.11717	1.1
163.07587	0.6
165.05479	25.1
165.06847	1.3
169.10027	0.7
171.11702	0.8
173.04556	0.7
173.05978	0.8
187.26749	0.6
190.06322	1.2
191.03377	0.7
192.04210	0.9
200.51152	0.7
201.05408	0.7
217.05011	0.8
219.02904	1.7
233.08049	1.5
258.67105	0.6
308.06863	0.9
309.07669	0.7
315.05017	1.7
325.06287	0.8
327.04919	0.9
335.23691	0.9
336.06442	1.2
337.06998	1.2
337.10834	0.9
339.04776	1.3
341.06427	0.8
351.08716	1.3
353.06607	4.2
353.24689	2.3
354.03549	0.9
355.08234	1.0
358.06747	2.5
359.07654	1.0
367.04449	3.2
367.11899	1.5
368.05011	0.7
369.05991	1.9
370.06821	1.6
371.07556	1.6
371.25854	0.9
373.09335	7.7
379.08099	1.6
381.06039	11.2
382.06973	2.7
383.07690	3.6
384.08383	0.8
385.09192	2.1
394.10364	1.5
395.11548	0.8
397.09219	37.6
398.09586	1.3
402.07150	1.0
409.12982	0.7
411.10620	1.9
412.11615	2.7
422.14398	1.8
427.13916	100.0
428.14191	3.3
430.67911	0.7
445.09100	3.4
445.15149	3.3
445.29715	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	445.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48510	1.7
53.03940	3.4
54.55014	1.6
55.05500	5.7
56.96578	9.9
57.03458	1.7
66.64733	1.5
67.05508	15.6
69.03438	2.1
69.07067	5.9
71.04993	1.6
71.54868	2.5
73.04782	2.3
79.05498	11.8
80.04063	1.6
81.03432	3.0
81.07069	13.7
83.08617	4.0
91.05473	19.0
93.07051	8.0
95.04971	3.7
95.08627	9.3
97.06556	2.7
105.07036	16.1
107.08592	7.8
109.06526	1.9
109.10136	4.8
117.07061	9.7
119.08588	9.4
121.06562	2.1
121.10126	4.5
129.07013	5.6
131.08569	11.3
133.10112	6.6
141.07018	2.3
143.08563	5.2
145.10112	6.1
155.08569	2.4
157.10106	4.1
159.11766	3.3
171.11728	4.5
183.11723	2.1
195.03329	2.3
197.13318	2.2
203.00243	9.4
209.13208	2.2
213.04366	3.1
221.01225	9.3
221.32468	2.1
237.00711	3.8
239.02248	2.2
242.94920	2.1
277.07483	8.7
295.08563	9.4
297.04440	2.9
301.03873	4.2
307.02927	1.9
312.03049	3.4
313.03873	2.4
315.05322	2.7
325.03851	7.4
326.00793	2.8
329.03281	6.1
330.04120	13.6
335.23572	4.0
339.09106	2.9
343.04822	6.5
348.05301	3.1
353.24646	5.2
357.10025	3.5
359.02713	2.4
363.09201	7.8
371.25812	5.5
381.10077	20.4
383.43741	1.9
389.26788	5.2
399.11212	100.0
400.11621	3.2
404.11691	3.6
413.12976	1.8
417.12259	22.7
422.12939	10.4
445.23560	2.2
445.29523	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	445.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	17.5
60.90397	0.8
65.03951	1.1
65.85421	0.8
67.05499	2.5
67.19143	1.0
69.07084	1.4
71.55204	1.3
79.05491	2.5
81.07049	2.8
91.05495	3.1
93.07046	2.3
95.04954	1.2
95.08614	1.9
105.07040	3.4
107.08633	1.2
109.10213	1.2
117.07030	1.5
119.08592	2.3
131.08569	1.8
144.75603	0.9
145.10156	1.1
149.02362	2.6
155.08508	1.5
157.10167	1.3
167.03421	2.9
169.09984	0.9
179.00104	1.2
185.01315	1.2
191.00261	1.3
195.03352	2.6
203.00122	5.5
208.47334	1.0
209.01213	1.5
213.04312	2.3
221.01231	8.4
223.02824	1.1
225.00693	1.7
237.00453	1.0
239.02280	6.2
256.69998	1.4
259.06461	2.6
261.04453	1.8
269.08109	1.8
271.02512	0.9
273.04080	1.2
277.07483	6.0
279.05536	1.2
283.02823	4.9
289.03918	1.7
295.02914	1.1
295.08618	4.3
297.04163	2.4
297.06982	1.8
298.04993	1.4
301.03870	8.9
302.04587	1.3
307.02789	2.1
312.03006	1.9
313.03833	1.6
315.05447	3.0
325.03824	20.9
326.04663	2.9
327.07349	1.5
329.03134	1.6
330.04120	3.9
339.08963	3.3
343.04913	34.6
344.05560	1.3
348.05591	1.5
353.24606	1.6
361.05927	8.9
363.08902	8.8
366.06503	3.3
381.10059	17.3
399.11179	100.0
400.11536	2.7
404.11893	4.1
417.12256	25.9
422.12708	14.4
445.29623	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	444.3686
Annotation	3-hydroxystearoylcarnitine
Peak:m/z	Relative Intensity
55.01863	4.5
55.05515	10.7
56.01395	2.2
57.07074	8.5
63.36443	1.4
67.05508	25.3
69.07075	16.8
70.02971	8.2
70.99533	2.9
71.08628	5.8
72.04523	23.6
73.02907	1.6
79.05470	7.2
81.06592	2.3
81.07063	28.5
83.08615	13.0
84.04485	3.1
85.10186	2.0
88.03929	1.7
90.05564	100.0
91.05471	5.5
93.07040	5.5
95.04972	2.9
95.08051	2.3
95.08611	25.1
97.06566	3.1
97.10173	12.3
98.02425	16.7
98.06066	3.4
100.03980	3.8
105.07051	2.4
107.08611	2.7
109.10149	12.4
110.06030	3.2
111.11728	4.5
116.03458	8.2
119.08555	4.4
121.10136	3.2
123.11716	4.9
124.07596	3.8
125.13232	1.4
126.45170	1.5
133.04713	1.5
133.10123	3.1
135.11661	2.5
137.13260	2.0
138.09129	2.1
142.05005	13.9
158.08084	2.6
160.06052	5.4
161.13295	2.2
175.14748	2.3
268.44101	1.8
295.30048	2.6
301.28946	3.1
319.30072	3.1
348.32663	34.2
366.33652	3.4
390.33652	34.5
408.34763	97.7
409.35370	2.9
426.35828	25.5
444.33368	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96591	0.5
57.03451	0.5
57.05814	0.6
60.04534	0.4
60.05655	6.1
61.02941	0.4
62.22395	0.4
67.05520	0.4
68.87914	0.4
69.03434	0.8
69.07076	9.9
69.65750	1.8
69.66157	0.8
70.06602	21.8
71.05007	0.7
72.08155	1.8
81.07063	0.9
85.02917	1.4
86.09717	100.0
87.10075	0.5
93.07059	0.4
95.08698	0.5
97.02919	0.4
105.07012	0.6
107.05031	0.6
107.08665	0.5
109.10210	0.5
112.08749	3.2
114.10333	0.6
115.08709	3.7
116.07105	7.7
119.08625	0.6
128.10741	17.1
130.09787	2.4
133.09879	0.5
137.09668	1.1
156.10216	0.8
156.11339	7.9
157.10878	0.8
158.09273	6.8
174.35025	0.4
175.11937	18.5
195.03065	0.4
199.18115	0.4
207.18233	0.4
253.16579	0.7
263.16513	1.2
269.18457	0.6
271.17664	8.8
281.04453	0.6
281.13803	0.5
281.17648	0.6
288.20358	0.9
311.05630	0.9
365.06293	0.5
425.08258	0.5
425.28629	1.0
443.18884	4.5
443.29840	83.3
444.30060	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84585	4.3
56.96566	8.0
57.03423	7.4
67.05489	4.9
69.03436	6.0
70.06613	8.3
70.17587	4.5
71.44927	9.1
72.08157	9.8
73.02924	5.0
85.02890	16.5
93.07082	5.5
105.07036	5.7
106.02935	5.0
107.04959	100.0
107.08616	7.1
107.84440	4.1
108.05302	4.4
113.02401	5.3
124.03967	86.8
133.10130	4.8
135.08043	8.7
145.08618	29.4
147.04388	7.5
149.57660	4.6
151.03960	4.5
156.04800	8.5
161.05983	10.9
177.09088	5.5
180.06537	6.4
181.04947	4.6
187.11241	8.1
189.13055	4.6
197.11745	15.9
201.12721	9.3
209.34999	4.7
211.67146	4.9
229.12251	8.8
239.09581	10.9
247.13345	34.8
250.10776	12.2
257.10736	8.8
265.93118	4.8
268.11932	24.8
283.08569	5.5
284.13174	15.2
296.11417	13.3
320.11050	12.2
425.11435	4.8
444.16949	42.2
444.22696	7.9
445.13971	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	443.226
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	1.3
69.31168	4.4
81.07069	0.9
84.08170	0.7
85.02908	0.7
98.97590	0.6
109.10179	0.7
119.08590	1.0
128.24661	0.5
133.10185	0.8
187.65678	0.5
203.05261	0.6
213.74908	0.5
263.16336	0.9
281.17288	2.9
287.03897	0.9
425.12616	0.7
443.22604	100.0
444.22943	3.5
463.68381	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	0.5
62.24279	0.5
67.05510	1.2
69.03440	1.2
70.06618	0.4
71.04979	0.5
71.55423	0.5
73.02913	0.6
78.19981	0.4
79.05495	1.5
81.03426	1.1
81.07058	1.4
81.72370	0.4
83.04996	0.9
84.08172	0.5
85.02911	1.9
86.09734	0.9
87.04430	0.5
91.05487	1.1
93.07084	0.8
95.05003	0.6
95.08610	1.6
97.02905	1.0
98.97575	0.9
105.07027	1.2
107.08607	1.5
109.02882	0.6
109.10149	1.1
119.04935	0.6
121.10166	1.6
123.11726	0.6
125.00037	0.8
127.03912	1.0
131.08626	0.7
133.10138	0.9
137.06009	0.6
147.04411	0.5
147.11713	0.6
159.93951	0.4
161.09636	0.6
165.12790	0.4
177.16441	1.3
184.07343	1.9
192.31477	0.4
208.29039	0.5
241.17917	0.4
263.16156	0.7
273.93475	0.5
281.17297	4.4
307.83893	0.4
333.07986	2.9
339.05048	0.7
340.10559	0.6
425.12527	0.7
443.23071	100.0
444.22693	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	443.226
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	1.3
69.31168	4.4
81.07069	0.9
84.08170	0.7
85.02908	0.7
98.97590	0.6
109.10179	0.7
119.08590	1.0
128.24661	0.5
133.10185	0.8
187.65678	0.5
203.05261	0.6
213.74908	0.5
263.16336	0.9
281.17288	2.9
287.03897	0.9
425.12616	0.7
443.22604	100.0
444.22943	3.5
463.68381	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84901	1.1
53.03938	2.7
54.50620	1.1
55.01874	4.3
55.05519	15.3
56.96562	2.0
57.03431	3.7
57.07084	1.3
65.03939	2.2
67.05515	33.5
69.03433	2.1
69.07075	13.5
69.69102	4.8
71.04993	3.8
71.58257	1.3
79.05503	28.8
81.03430	2.0
81.07064	31.1
82.19109	1.1
83.04985	4.5
83.08627	7.3
85.02912	1.1
85.06569	1.7
91.05492	38.4
93.07055	23.5
95.04983	4.7
95.08618	15.2
97.06534	3.7
97.10178	3.3
98.20756	1.9
98.49203	1.1
103.05489	2.1
105.04523	1.2
105.07050	27.5
107.04974	5.0
107.08614	11.1
109.06544	5.2
109.10175	6.5
111.08084	2.9
115.05466	4.8
117.07030	23.7
119.04965	1.2
119.08581	14.4
121.06528	6.1
121.10196	5.7
123.08097	1.6
123.11737	1.3
128.06245	10.2
129.07033	31.6
130.07799	2.1
131.08597	29.8
133.06508	6.1
133.10141	8.1
135.08075	4.8
135.11703	3.1
137.09639	3.8
141.06985	12.8
142.07797	5.2
143.08578	25.8
145.06512	6.0
145.10139	15.4
147.08066	4.3
147.11716	3.7
149.02374	1.6
149.09680	3.3
151.07521	2.3
153.07007	3.4
154.07771	1.9
155.08577	22.3
156.09331	1.1
157.06488	2.1
157.10146	14.1
159.08052	4.6
159.11691	5.8
161.06035	2.1
161.09680	2.9
161.13281	1.4
162.70609	1.1
163.11218	1.4
165.05479	1.0
165.07053	3.1
167.03352	1.5
167.08597	7.7
168.09317	2.0
169.10159	12.3
171.08069	2.7
171.11708	8.1
173.09648	2.9
173.13260	2.4
175.11218	2.1
179.07040	1.2
179.08601	4.6
181.10162	10.7
182.10999	1.7
183.11736	9.0
185.09668	1.8
185.13246	4.7
187.11261	1.8
189.12782	1.5
193.10173	3.4
195.11699	7.7
196.08987	1.3
196.12619	1.1
197.09688	1.7
197.13351	5.6
199.11208	2.7
199.14912	2.6
201.12816	1.8
205.10196	1.2
207.11758	3.6
209.13243	5.2
211.11150	2.6
211.14862	2.1
213.12708	6.3
215.14351	2.6
217.15952	1.3
219.11774	1.6
221.13254	4.5
222.87508	1.2
223.14935	4.4
225.12820	3.7
225.16518	2.1
227.14290	2.5
229.15771	1.2
231.13823	1.8
235.14890	4.5
237.16266	1.4
239.14322	3.2
241.15863	1.5
243.13788	1.2
245.15523	1.3
249.16479	1.5
253.15868	3.9
255.17383	1.3
257.15283	1.8
271.17001	3.8
309.18350	1.4
323.23694	4.4
331.19174	1.6
333.22122	8.6
341.24796	5.0
351.23230	25.1
369.24295	38.0
387.25333	11.4
407.25616	2.1
415.28635	1.2
425.27042	5.8
443.27991	100.0
444.28314	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	443.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	6.2
56.96561	6.0
61.02941	4.2
65.03940	5.0
67.05513	7.8
69.07072	4.3
69.24687	26.6
71.04996	5.0
76.08007	3.1
79.05499	7.4
81.07053	7.9
85.02926	3.8
91.05486	11.0
93.07049	8.8
95.04972	3.3
95.08595	6.4
97.02882	3.9
97.06552	3.2
98.21537	5.9
105.07059	4.2
107.08579	7.4
109.10161	7.8
117.07007	3.3
119.04961	21.8
119.08606	4.4
120.03777	2.9
121.02920	3.7
121.06505	4.0
121.10139	3.2
125.09665	2.9
129.07011	3.0
131.08591	3.1
134.25766	2.7
137.02319	7.7
143.08575	3.0
145.06432	3.6
147.03253	5.1
147.04422	69.0
149.01184	5.0
149.02361	84.5
149.03502	5.6
153.01843	3.6
157.10178	3.2
161.02357	3.6
161.05945	3.8
165.01791	3.1
167.03426	100.0
167.07030	3.5
173.06059	5.5
179.03413	3.3
189.05495	7.0
191.06979	3.1
201.05446	14.0
207.06607	4.7
208.77538	2.6
213.05475	2.6
215.07193	3.3
217.08592	11.4
219.06686	3.7
227.07100	4.6
229.07594	3.5
231.06665	2.8
269.08118	41.9
269.11182	5.4
274.89185	2.6
285.54446	2.8
287.12894	15.3
303.10245	3.7
305.13864	89.1
306.14267	3.9
308.84839	2.6
309.11234	7.5
321.11234	5.5
337.14389	4.1
389.17575	7.5
397.09659	6.0
407.18570	96.1
425.19809	4.4
443.27618	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	443.207
Annotation	Exiguaflavanone M
Peak:m/z	Relative Intensity
55.01863	1.2
55.05523	0.9
57.03413	0.5
62.53098	0.4
65.03939	0.4
67.01851	1.9
67.05514	2.7
68.88997	0.4
68.99792	1.5
69.03419	1.2
69.07068	1.3
69.29976	2.6
69.30389	0.8
71.04980	0.9
76.72263	0.4
79.05524	2.0
79.64175	0.4
81.03384	0.4
81.07061	3.0
83.08603	0.6
85.02915	0.7
91.05494	2.4
93.07046	1.6
95.04978	0.7
95.08619	2.3
96.85888	0.4
97.02883	0.9
98.97585	0.6
103.05483	0.5
105.07047	1.9
107.04980	0.6
107.08593	1.4
109.06548	0.5
109.10150	1.6
117.06994	0.8
119.04908	0.9
119.08624	1.0
121.10200	2.0
123.04429	0.9
123.08073	0.6
123.11720	2.2
129.07010	0.7
131.04910	0.9
131.08594	1.0
133.06538	3.1
133.10164	0.7
135.11726	0.6
139.03880	0.6
143.08621	0.6
145.06473	1.4
147.04449	1.1
147.08031	0.6
147.11671	0.7
149.02335	3.2
151.03873	0.4
151.07573	0.6
153.01840	100.0
154.02174	0.9
155.08514	0.7
157.10136	0.8
159.04451	0.6
159.11749	0.6
161.06013	1.0
161.09576	0.5
165.07024	0.5
165.09171	0.9
167.03429	3.5
169.06541	0.7
169.10207	0.5
171.02907	1.3
171.08078	0.4
173.06012	1.8
173.09767	0.4
179.03436	4.8
181.06520	0.6
197.05995	1.5
199.07545	1.0
201.05437	0.9
213.09172	0.5
215.06863	0.9
221.05983	1.4
225.05551	0.5
239.07031	0.6
239.14162	0.7
243.06575	0.9
257.08060	0.6
267.06537	4.8
269.08139	1.5
285.07556	3.2
305.14008	1.3
332.55850	0.4
351.23080	0.7
353.13699	0.7
404.02802	0.4
407.18634	3.0
425.11826	0.5
425.19208	0.5
442.80310	1.4
443.13379	0.7
443.28119	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	443.2071
Annotation	Exiguaflavanone M
Peak:m/z	Relative Intensity
55.01869	5.0
55.05534	1.3
56.63297	1.4
61.02910	1.2
66.91890	1.3
66.92290	1.3
67.01868	2.2
67.05498	3.2
67.35196	1.2
68.99789	2.5
69.03426	2.8
69.07056	4.4
79.01852	1.8
79.05490	1.6
80.92961	1.4
81.03431	3.7
81.07066	3.9
91.05476	4.3
93.07030	4.4
94.07905	1.5
95.08604	2.5
97.02898	2.2
98.21602	2.9
105.07030	2.7
107.08606	2.7
109.06502	2.5
117.07026	3.1
119.08607	3.1
121.06512	2.6
121.10155	2.6
127.07560	2.0
129.06967	2.9
131.08603	2.5
133.06505	10.5
137.02304	5.1
141.01871	9.2
145.06509	3.4
149.02295	2.6
153.01848	37.0
155.08513	1.8
157.10176	1.7
161.06029	2.1
165.01848	100.0
165.09149	1.4
166.02275	1.8
167.03482	9.6
171.02887	3.7
171.11707	1.6
175.11172	1.9
179.03403	5.7
181.10249	1.7
183.01344	2.7
183.02911	47.3
187.11163	3.6
189.12744	3.6
191.03380	2.4
191.10468	1.9
193.04953	4.7
195.08087	1.5
197.09662	1.7
199.11191	6.1
201.05508	6.4
201.09100	3.0
201.12770	4.7
205.12291	3.9
213.09106	2.2
217.12320	3.5
219.06593	4.6
221.08127	1.7
227.07011	2.5
234.16187	1.6
237.05289	3.1
237.07608	39.6
243.10213	1.9
251.07002	2.2
255.06454	4.6
267.06583	2.4
279.06671	6.7
280.07181	1.5
283.13382	3.1
297.07654	4.2
311.08591	1.5
318.14444	1.7
333.11179	6.2
335.12769	8.1
341.14038	13.2
351.12262	14.4
351.23276	2.1
353.13870	49.2
369.13297	11.8
387.14313	2.5
406.26294	1.6
407.18591	2.9
413.08533	2.9
425.19537	2.1
443.13831	7.4
443.19492	2.3
443.27667	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1342
Annotation	Pratensin A
Peak:m/z	Relative Intensity
56.53386	0.3
64.93063	0.3
67.05477	0.3
70.59374	0.4
70.59729	0.9
79.05467	0.3
81.06985	0.4
98.20868	0.3
107.08539	0.3
119.08666	0.3
135.04376	0.4
140.73489	0.3
147.04352	0.6
149.02290	0.5
164.02168	0.3
165.01805	0.7
165.05482	2.8
183.03026	0.4
193.04919	0.7
213.96832	0.3
219.02698	0.3
221.04446	0.4
235.02339	0.9
249.03938	1.1
308.12799	0.4
310.04599	0.4
325.07037	0.4
327.04959	1.1
339.05017	0.4
341.06689	0.4
345.14075	0.4
355.04465	6.9
355.08499	0.6
356.05176	1.0
367.08206	0.8
368.05103	0.4
369.01740	0.6
369.06006	4.9
370.06857	1.8
371.07648	3.6
380.05191	1.0
381.06158	0.9
383.03958	0.6
385.09174	4.6
395.07574	1.3
397.05542	9.0
397.10266	0.6
398.06204	3.8
399.10580	0.9
409.09146	0.5
411.10791	2.8
412.07700	0.6
413.08691	48.4
414.09158	1.9
425.12570	0.7
427.10260	7.4
428.11053	10.1
428.16898	0.5
429.11273	0.5
443.13400	100.0
444.13797	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.7
55.01858	4.4
55.05511	4.2
57.03436	4.6
57.07069	7.7
58.36416	2.3
61.02929	6.7
67.05504	7.5
68.99797	3.3
69.03439	31.5
69.07063	9.4
69.51053	17.6
71.04997	4.3
79.05497	53.4
81.03419	29.8
81.07052	14.7
83.04990	15.4
85.02910	29.3
87.00835	10.2
91.05498	16.7
93.07050	49.9
95.04951	7.3
95.08613	7.4
97.02882	10.0
97.06546	6.3
98.20699	2.3
99.04454	12.2
105.07029	10.5
107.04952	8.1
107.08617	18.1
109.02889	24.1
109.06503	4.7
115.03925	4.5
115.05438	3.5
117.06992	3.9
119.08586	6.5
121.06512	7.3
121.10138	4.9
125.06015	18.0
127.03931	58.7
131.08580	7.8
133.10152	15.5
135.08057	5.8
135.11703	100.0
139.03937	3.1
139.07558	12.5
145.04964	3.4
145.10115	5.3
147.11713	3.7
149.13293	10.4
151.07567	6.1
157.10117	3.7
159.08029	2.7
159.11697	4.3
161.09592	2.8
163.11177	3.3
167.07100	3.0
171.11594	2.8
175.11259	3.0
177.12758	14.4
189.12743	3.3
195.13852	22.8
213.03931	6.5
225.12831	2.3
231.05095	10.3
234.06250	2.6
235.13225	2.7
243.13785	4.1
257.70496	2.5
269.02155	2.3
399.19919	4.8
425.18369	3.5
443.18665	15.8
443.25043	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	443.0979
Annotation	Catechin 3'-O-gallate
Peak:m/z	Relative Intensity
53.00299	0.7
55.01878	2.7
55.05501	0.4
56.96576	2.7
65.03941	1.6
66.83655	0.3
68.99802	5.1
69.03411	0.6
69.25563	1.4
69.25979	2.0
70.06587	0.6
73.41035	0.4
78.79635	0.4
79.05500	0.4
82.34106	0.4
83.04962	0.4
83.05534	0.4
84.96044	1.2
85.02880	0.6
91.05471	0.8
93.03418	0.9
95.04996	0.8
97.02903	0.9
98.21272	1.7
98.97594	4.2
105.03383	0.4
105.07045	0.4
107.04964	1.0
109.02944	0.4
110.97575	0.7
111.00828	3.1
111.04463	3.7
112.99162	0.4
114.05542	0.4
115.05486	0.5
116.98624	1.1
117.06982	0.5
119.04971	1.2
121.02918	3.0
121.06558	0.4
122.07167	0.5
123.04443	3.4
123.07964	0.7
127.03943	2.3
128.98610	0.5
129.07069	0.5
131.00142	0.5
132.98137	0.4
133.02902	1.1
134.99635	0.7
135.04451	3.0
137.02393	0.8
137.06003	1.3
139.03918	100.0
140.04239	1.2
141.07082	0.4
143.00229	1.1
145.02876	0.6
145.06474	0.4
147.04466	2.3
149.02371	1.4
149.05989	1.1
151.03926	8.8
153.01880	0.7
153.05415	0.4
155.04933	0.8
157.06487	0.9
158.99699	1.0
159.04448	1.3
161.01212	0.9
161.02426	0.7
161.06010	1.1
163.03929	6.3
165.01813	0.5
165.05531	3.6
167.03435	8.6
167.04837	0.5
169.06360	0.4
169.41022	0.4
171.04462	0.5
173.01233	0.8
173.06007	0.8
175.03905	5.8
177.00719	0.5
177.05475	4.6
179.03416	10.8
181.04991	1.3
182.00270	0.4
183.04492	1.1
185.06033	1.2
187.03944	1.9
189.05482	3.8
191.03424	16.5
193.04993	5.4
197.06007	1.5
199.03973	1.1
201.05508	4.5
202.06209	0.4
203.03421	13.6
205.04991	3.2
211.03908	1.4
213.05504	5.3
215.03360	1.3
215.06978	0.5
217.04977	2.9
219.01889	0.8
223.02408	0.4
225.05539	0.5
227.03723	0.4
229.04994	10.1
230.05624	0.8
231.06505	3.6
233.04533	9.1
237.02930	0.7
241.04996	1.1
243.06519	0.7
245.04483	8.1
251.05318	2.8
253.04964	1.3
256.54474	0.4
257.04483	21.7
258.05194	1.2
259.06021	1.4
263.05545	5.1
269.05695	5.5
271.06003	2.4
275.05539	26.1
276.05759	0.4
281.04413	0.5
287.05530	30.2
288.06207	0.6
293.05533	1.4
297.07803	0.5
299.05536	19.9
311.06815	0.8
317.02917	0.5
317.06583	9.4
323.05231	0.7
325.04486	0.9
337.07916	0.6
341.06766	0.5
387.75073	0.4
407.07785	2.6
425.08957	11.6
443.07800	2.1
443.16275	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.3534
Annotation	3-hydroxyoleoylcarnitine
Peak:m/z	Relative Intensity
55.05508	2.2
56.81442	0.6
57.07087	2.1
59.07872	0.6
67.05516	7.4
69.06774	0.6
69.07080	3.8
70.06601	100.0
71.08650	1.0
79.05492	1.5
81.07067	10.1
82.84492	0.6
83.08637	2.8
87.04482	8.4
91.05500	1.3
93.07054	1.3
95.08622	9.8
97.10170	2.9
107.08624	1.4
107.26179	0.7
109.10174	3.7
114.05546	11.2
116.07106	79.1
123.11740	2.4
133.10123	0.7
140.07104	2.5
145.07225	0.6
170.33870	0.6
184.09839	1.2
184.82193	0.7
186.07655	1.4
378.33878	2.3
406.33203	37.5
407.33551	1.3
424.34274	35.7
425.34442	0.6
442.35287	2.0
442.42883	2.0
443.33694	2.1
464.09610	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
55.05519	7.4
56.01405	3.6
57.03437	1.4
57.07078	5.9
58.06606	13.6
59.04990	1.2
67.05517	4.6
69.03435	6.1
69.07076	10.2
69.09597	0.4
69.22101	0.4
71.02878	0.9
71.03233	0.5
71.08636	4.0
79.05492	3.4
81.07059	5.6
83.08630	7.0
84.04513	9.6
85.10194	2.3
86.06075	100.0
87.04479	3.2
91.05475	0.9
92.68954	0.4
93.07066	3.8
95.08614	4.7
97.06542	2.0
97.10184	5.9
98.06083	1.1
101.64352	0.5
104.07114	57.0
107.08609	3.8
109.10177	2.2
111.08073	0.8
111.11725	2.4
112.03999	3.7
112.07610	0.9
121.10152	5.8
123.11722	0.7
125.13272	0.5
128.07114	1.0
130.05026	7.7
135.11700	3.1
149.13287	1.8
163.14833	0.5
303.30545	1.9
320.45032	0.6
321.31613	3.4
350.34085	3.5
364.35895	0.6
378.37567	0.6
406.36841	41.1
407.37296	0.9
424.37891	56.4
425.38412	2.0
442.38940	9.7
442.44696	0.8
443.34097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.2
55.01877	3.2
55.05508	7.7
56.96564	1.8
57.03439	20.1
57.07085	2.3
59.05004	1.9
61.02933	8.9
67.05509	3.2
69.03082	2.7
69.03437	47.4
69.07069	2.7
70.06588	1.9
71.01369	1.6
71.05014	1.7
71.08643	8.7
71.55326	2.2
73.02924	26.8
79.05484	3.6
81.03411	7.0
81.07040	5.2
82.06573	2.1
83.04975	4.4
83.08615	4.0
83.31150	1.3
84.08142	2.2
85.02913	100.0
87.04477	18.8
88.11263	5.5
91.03954	4.4
91.05495	2.8
93.07047	3.3
95.08611	3.7
97.02899	58.1
97.03524	3.0
98.94199	1.6
98.97569	3.1
99.04449	5.0
100.07629	3.1
100.11261	12.2
103.03960	1.9
105.07051	2.4
107.08614	2.6
109.02905	8.2
109.10149	2.2
111.04420	5.0
111.22357	1.4
112.07606	1.7
114.94246	1.4
115.03937	47.8
119.08583	2.2
120.08147	1.7
120.09067	1.4
121.10167	2.8
126.09155	2.1
127.03923	26.7
128.07074	3.8
133.04984	37.5
133.10092	2.8
145.04970	44.7
150.07596	5.1
152.14351	1.7
155.73326	1.3
158.99605	1.8
163.06026	12.0
165.09038	3.0
170.15425	26.4
182.15428	13.8
198.14877	16.5
209.16521	2.5
210.14877	13.9
223.06087	1.8
228.15947	3.0
234.92111	1.6
241.07066	2.6
245.18701	3.7
259.08087	1.7
266.71170	1.5
293.19659	1.8
297.25333	4.2
337.21182	6.4
355.22214	3.4
424.26526	2.7
424.31699	16.8
442.24951	6.8
442.32617	13.2
442.90979	1.6
443.18735	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	442.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04872	1.6
52.56467	1.5
53.03938	2.7
55.01872	3.9
55.05506	3.0
56.96559	4.9
57.03440	22.6
59.04991	5.2
60.04519	1.8
61.02911	7.9
66.78329	2.2
67.05495	5.7
69.03434	72.1
69.07056	5.7
70.19110	4.3
70.19504	3.7
71.01353	2.2
71.04996	2.1
73.02932	17.7
75.04478	1.9
79.05479	5.9
81.03429	8.9
81.07049	6.5
83.04963	1.8
85.02908	100.0
85.06555	2.0
87.00869	2.0
87.04472	36.9
91.03947	4.5
91.05463	5.9
93.07051	4.3
95.04942	2.4
95.08620	3.7
97.02288	3.4
97.02895	64.4
98.97573	2.1
99.04470	4.4
105.07021	2.7
107.08604	4.9
109.02916	8.4
115.03939	66.2
117.07042	2.0
119.04901	2.1
119.08577	3.5
121.06503	1.8
121.10115	3.0
123.04433	2.5
123.08093	1.6
127.03927	21.4
131.08577	2.4
133.04976	60.6
145.04980	40.7
145.06325	5.2
149.02373	2.4
150.07616	7.1
151.07401	2.1
163.03888	1.7
163.06018	10.4
165.01790	4.0
165.09065	3.1
167.03299	2.5
179.03424	2.3
181.15875	1.7
241.07047	4.0
259.08173	3.0
274.15402	2.6
277.09268	3.1
295.10391	1.8
306.47455	1.7
350.21884	3.1
368.22897	2.8
430.28784	1.7
442.26828	8.7
443.13507	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	442.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68487	0.9
55.01864	2.9
55.05518	10.6
55.63580	0.9
56.96564	1.0
58.99584	3.1
68.90852	0.8
70.06583	2.6
70.46635	2.4
72.08158	14.2
75.23933	0.9
76.02220	1.1
79.05501	2.2
81.07059	1.3
83.08622	11.5
84.04506	4.1
85.02908	1.2
86.09711	1.1
86.99059	3.3
88.02213	2.6
91.05518	2.0
92.01691	1.3
93.07058	1.1
94.06530	1.1
98.06071	1.2
99.05535	0.9
105.07007	1.1
106.06578	1.9
107.04964	1.7
107.08582	1.5
108.34264	1.0
110.02767	1.2
113.09629	1.1
116.01691	21.9
116.07104	1.9
118.06561	7.6
119.04987	2.3
119.07332	81.4
120.05747	1.0
120.08117	4.5
122.06036	2.3
123.04439	1.7
129.06580	1.5
130.03416	1.1
130.05014	1.0
130.06544	4.9
134.06021	18.0
134.06981	1.2
135.04440	2.5
135.06790	11.4
136.07576	1.4
142.03146	1.0
147.04381	1.6
150.05496	2.9
156.15067	0.9
159.08386	9.0
164.03752	1.5
173.11987	2.2
176.07083	4.2
176.11053	1.7
177.99922	23.0
178.73471	0.9
179.08693	1.2
181.06126	1.5
196.00990	24.6
199.07263	0.9
207.08052	1.4
223.07695	1.0
225.09221	1.2
235.07584	2.6
237.09155	1.9
241.08601	1.7
247.50951	0.9
252.07753	1.6
252.10199	15.9
254.11765	17.6
256.09619	6.4
269.12875	34.1
270.11230	2.0
280.09674	4.6
289.12054	0.9
295.09531	2.2
296.09863	11.5
298.10849	9.1
308.16391	2.4
313.12460	7.5
315.13406	100.0
316.13644	1.6
323.17661	2.2
324.15909	2.0
333.14828	4.3
337.06973	1.2
353.06744	1.4
368.19626	2.6
369.18094	3.7
379.16553	4.1
395.07562	1.3
397.17728	3.1
398.08817	0.9
407.07471	1.6
414.20282	24.9
424.15781	2.2
425.17221	6.7
442.20248	4.9
443.09573	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	442.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13563	2.6
53.57160	2.3
56.96560	3.8
57.03437	4.7
57.07071	4.3
61.10066	2.3
67.05516	7.4
68.99788	2.4
69.03432	10.9
70.06591	10.0
70.66314	6.9
81.03439	2.8
84.08169	2.8
85.02912	36.3
85.06549	4.0
86.95970	2.7
87.04475	6.2
95.04977	12.2
97.02914	11.9
98.97601	6.7
105.07035	15.8
109.02868	2.9
113.06027	29.4
115.03932	4.2
116.07101	9.5
119.04958	2.9
122.06062	2.7
122.09672	10.8
127.03922	8.4
131.07053	100.0
133.04985	4.0
136.06145	2.8
136.07596	5.2
139.03870	5.7
141.76595	2.4
145.04999	18.1
147.04410	4.0
158.99748	3.3
163.03935	4.6
163.06049	3.9
164.07014	2.9
167.03453	3.5
179.03452	4.2
191.03426	7.1
203.03427	3.5
205.05060	2.9
218.68463	2.7
233.04504	4.4
253.13359	4.1
257.04440	11.1
275.05533	11.0
287.05386	3.0
293.12265	11.6
299.13968	9.3
398.93817	3.0
407.07571	3.2
425.08624	9.6
425.13876	2.5
442.10327	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	441.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	2.7
55.05256	4.7
55.05514	46.7
57.03444	16.1
57.06823	4.0
57.07084	50.2
64.09431	2.8
67.05512	19.6
69.07077	58.7
71.08638	31.0
79.05498	10.1
81.07058	27.1
83.08626	33.3
85.10204	15.9
87.04442	2.9
93.07069	15.1
95.08616	26.6
97.06553	7.1
97.10167	25.2
98.32142	2.7
101.06046	2.6
107.08615	10.9
109.09480	2.6
109.10146	17.5
111.08099	6.9
111.11744	10.4
119.71243	2.2
121.10196	14.7
123.11727	9.4
125.09659	6.1
125.13249	2.8
129.09184	3.9
135.11661	12.8
137.13248	2.7
139.11133	3.7
146.90680	2.6
149.13261	7.4
153.12767	5.5
159.11650	2.8
163.14857	4.6
165.79399	2.8
167.14388	2.8
181.15912	4.3
209.19055	3.1
241.11879	3.3
331.33701	6.4
349.34680	15.5
423.38544	14.8
441.30026	4.5
441.39453	100.0
442.39798	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	442.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93532	30.3
56.31440	2.4
56.96552	2.6
68.99789	2.9
70.06599	5.0
70.39607	4.8
70.40002	6.1
71.93005	7.3
72.93779	6.3
84.51273	2.1
89.94038	3.1
90.94840	5.5
91.01669	1.9
97.53021	2.2
107.95135	3.1
108.02120	15.1
116.07093	5.5
120.83397	2.3
128.96271	2.1
128.98465	2.1
131.07043	2.4
139.03960	11.1
147.04417	7.4
151.04057	2.6
163.03908	3.2
165.97150	4.7
210.96910	30.2
220.90143	2.5
228.97987	21.0
230.53455	2.2
233.98518	2.7
238.96382	2.6
239.97163	9.2
245.04480	11.3
246.04808	9.8
253.95055	24.9
257.98248	11.3
262.98792	43.5
280.99817	10.2
299.05829	2.4
299.13925	3.2
318.19199	2.5
330.99203	12.5
332.00049	3.3
341.98459	2.7
359.99304	100.0
401.01822	7.4
419.03073	6.2
424.07535	5.9
442.08456	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	441.2462
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
50.65915	0.3
54.01955	0.2
56.96553	0.4
67.05513	0.3
69.03402	0.2
69.07053	0.4
69.62060	0.4
69.62466	1.8
70.72814	0.3
79.05481	0.4
81.07065	0.6
85.02913	0.4
87.27065	0.3
87.90697	0.2
91.05490	0.4
94.05312	0.2
95.08630	0.6
97.02878	0.4
97.68839	0.3
98.21577	0.4
98.97594	1.0
105.07030	0.3
107.04901	0.2
107.08588	0.3
109.10139	0.4
116.55051	0.3
116.98593	0.5
119.08561	0.3
120.08071	0.4
123.08048	0.4
123.73607	0.3
145.06499	0.7
147.04439	0.4
147.11598	0.3
161.05907	0.3
165.01793	0.3
165.09171	0.9
169.21857	0.2
169.23492	0.2
185.01237	0.4
195.02934	0.5
203.05273	0.3
219.01845	0.4
229.00302	0.6
237.02979	0.4
256.11505	0.4
279.03986	0.3
279.19336	0.4
315.13312	1.3
316.13742	3.1
351.63910	0.3
441.24625	100.0
442.24969	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	441.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.9
55.05288	1.6
55.05511	13.5
56.96560	2.4
57.03435	2.5
57.07089	2.0
67.05505	15.3
68.05831	1.6
68.36015	1.7
69.07048	7.8
70.59283	4.8
71.04973	3.5
79.05507	14.7
81.07066	20.3
83.04956	2.9
83.08607	5.0
91.05481	12.7
93.07057	11.7
95.04974	2.0
95.08613	12.9
97.06557	3.4
97.10163	7.3
98.97577	6.0
105.07054	10.6
107.04965	3.7
107.08604	11.9
109.10142	5.0
111.08064	2.5
115.05464	4.8
117.07021	10.2
119.04948	3.3
119.08584	7.6
121.06506	11.3
121.10159	5.2
123.08089	4.8
125.09641	4.5
127.03871	1.5
128.06230	5.5
129.07028	14.9
131.04929	13.4
131.08588	11.4
133.06479	8.1
137.09636	4.2
141.06998	6.6
143.08551	11.3
143.10742	2.2
144.05711	6.1
145.06493	96.2
145.10150	1.9
147.04408	5.5
147.08057	4.3
149.02313	2.5
149.09708	2.0
153.06996	1.9
155.08627	7.8
155.17986	1.6
157.06473	16.3
157.10150	4.2
158.99661	3.3
159.08110	10.7
161.05946	9.4
165.01862	17.2
165.07016	2.4
165.09117	11.5
167.03403	1.7
167.08578	5.6
169.06506	8.8
170.07350	1.9
171.08054	16.4
171.11800	2.1
173.09604	2.8
179.08546	2.3
181.06497	3.4
181.10147	3.3
182.07272	3.6
183.02888	2.0
183.08089	12.0
183.11751	2.7
185.09659	9.0
185.13234	3.1
195.08084	7.2
195.11725	12.1
197.01187	1.8
197.09709	5.2
197.13322	3.9
199.11198	2.0
205.10104	2.7
205.12184	2.4
209.09637	4.3
209.13182	2.3
210.99205	2.4
211.11189	5.8
213.12767	3.7
223.11195	3.2
225.12744	6.4
227.14349	9.9
231.06546	5.1
235.11278	2.6
237.12727	10.3
239.14345	4.6
243.13863	2.1
249.12805	2.0
255.13831	19.0
257.15482	3.8
269.08368	1.9
273.14890	40.5
281.08084	2.8
281.15579	4.2
283.16968	3.5
293.15439	1.9
299.16626	2.5
309.00684	2.2
311.16531	8.8
321.22134	3.1
323.19772	1.9
325.17996	3.8
331.20679	2.6
339.23303	9.4
349.21667	41.9
355.14410	5.6
367.22699	72.9
377.24744	4.6
385.23660	6.0
387.23383	4.3
395.25479	2.4
405.24310	15.5
415.03391	2.1
423.25391	7.3
433.04581	2.2
441.26395	100.0
442.26904	4.5
458.82480	1.8
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	3'-Geranyl-3,4,2',4'-tetrahydroxy-6'-methoxydihydrochalcone
Peak:m/z	Relative Intensity
53.00298	0.9
55.01869	1.5
55.05502	1.0
59.04982	1.2
62.29831	0.9
65.03947	4.0
67.05499	1.2
68.99786	1.1
71.04987	2.1
71.25137	1.6
72.81487	0.8
74.91797	0.9
79.05473	1.8
81.03426	1.0
81.07063	2.0
85.06524	1.0
88.30867	0.8
91.05486	4.3
93.03410	2.1
93.07045	1.1
95.08589	1.2
105.03384	0.9
105.07012	1.2
107.08581	1.4
109.10154	1.4
119.04951	4.7
121.02888	2.8
121.06542	1.1
131.01280	3.7
133.06517	1.2
135.11661	1.2
137.02344	2.5
141.01848	2.1
145.06532	2.3
147.03238	1.9
147.04413	34.1
149.02347	100.0
150.02673	1.0
151.03964	1.1
153.01849	1.1
153.12767	2.0
161.02316	5.2
161.05997	1.8
162.03069	0.9
163.03926	1.8
164.39388	0.8
165.01852	37.2
166.02046	1.0
167.03409	80.7
179.03343	1.9
183.02910	14.7
186.91205	0.9
187.03917	0.8
189.09145	0.9
191.03311	1.6
197.79350	0.9
203.10730	1.1
205.70673	1.0
221.08089	0.9
269.08087	45.5
271.13043	0.8
274.90744	0.9
279.72678	0.9
281.08035	4.2
282.08566	0.9
289.14319	12.9
309.10986	1.2
359.42639	1.0
367.11816	7.9
385.12827	13.7
391.19049	1.5
409.20120	23.7
423.18015	1.8
441.19180	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93243	0.4
55.05505	0.5
55.41909	0.5
59.98807	0.6
65.13711	0.4
67.05497	0.6
69.03422	0.6
69.07051	0.4
70.06586	0.5
71.04981	0.7
71.55631	0.8
77.78880	0.4
81.03417	0.5
81.07048	1.4
85.02891	1.0
91.05449	0.7
93.07036	1.4
95.04972	0.5
95.08604	0.8
98.97558	0.6
105.07050	0.8
107.08655	0.9
109.10155	0.7
119.04922	0.5
121.10119	0.6
133.10115	0.5
145.10110	0.8
147.11641	0.5
149.02299	2.4
153.12781	0.5
167.03468	2.1
171.11711	0.5
175.11084	0.5
185.04268	0.7
192.96577	0.5
234.73036	0.5
256.30646	0.5
269.08096	0.9
276.26178	0.5
279.12869	0.6
279.15698	10.7
287.09332	0.6
289.05316	1.4
297.07687	0.6
337.16125	1.5
355.17432	0.9
397.18344	4.8
441.21417	100.0
442.21967	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2101
Annotation	Ala His Val Asp
Peak:m/z	Relative Intensity
70.06591	0.8
70.81242	1.0
79.05489	0.4
81.07056	0.5
85.02912	0.5
86.09743	0.5
97.39175	0.4
132.05928	0.5
136.07516	0.4
157.50618	0.5
203.05266	0.6
261.11099	0.5
261.14578	0.6
273.09528	1.7
279.12543	0.7
279.15714	4.6
289.05334	0.5
337.44479	0.5
397.18600	1.0
423.16299	1.1
441.21066	100.0
442.21384	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	441.2102
Annotation	Phe Phe Gln
Peak:m/z	Relative Intensity
50.93243	0.4
55.05505	0.5
55.41909	0.5
59.98807	0.6
65.13711	0.4
67.05497	0.6
69.03422	0.6
69.07051	0.4
70.06586	0.5
71.04981	0.7
71.55631	0.8
77.78880	0.4
81.03417	0.5
81.07048	1.4
85.02891	1.0
91.05449	0.7
93.07036	1.4
95.04972	0.5
95.08604	0.8
98.97558	0.6
105.07050	0.8
107.08655	0.9
109.10155	0.7
119.04922	0.5
121.10119	0.6
133.10115	0.5
145.10110	0.8
147.11641	0.5
149.02299	2.4
153.12781	0.5
167.03468	2.1
171.11711	0.5
175.11084	0.5
185.04268	0.7
192.96577	0.5
234.73036	0.5
256.30646	0.5
269.08096	0.9
276.26178	0.5
279.12869	0.6
279.15698	10.7
287.09332	0.6
289.05316	1.4
297.07687	0.6
337.16125	1.5
355.17432	0.9
397.18344	4.8
441.21417	100.0
442.21967	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.5
55.05502	4.8
57.03453	1.7
57.07071	2.2
61.02933	3.6
67.05501	8.5
69.03438	15.1
69.07072	12.6
71.05003	2.8
71.05766	3.2
79.05501	6.5
81.03422	7.3
81.07066	6.1
83.04972	1.8
83.08632	5.4
85.02912	20.1
85.06550	4.0
87.00847	9.5
91.05481	6.6
93.07059	16.7
95.04949	1.9
95.08616	20.8
97.02898	18.1
98.17855	1.6
99.04466	2.7
99.08121	2.0
101.02435	2.1
103.03960	2.5
105.01864	9.7
105.07046	17.1
105.86600	1.6
107.08600	28.0
109.02892	6.1
109.06534	2.4
109.10175	17.2
111.08083	3.6
117.07034	3.5
119.08592	43.0
121.10153	40.1
122.10517	1.6
123.11691	3.1
125.02360	5.1
127.03914	12.8
130.52477	1.8
131.08583	6.6
133.10141	39.9
135.08076	1.9
135.11739	8.8
137.09691	1.9
143.03467	3.4
145.04970	3.9
145.10158	10.0
147.09183	4.0
147.11725	9.2
149.13289	4.7
157.10170	2.6
159.02956	5.2
159.11743	4.1
161.13278	11.0
163.08733	3.1
163.11182	2.2
171.11688	2.6
172.12466	2.6
173.13226	3.8
175.08762	10.3
175.14838	100.0
177.16396	33.8
187.14835	10.3
189.16417	2.3
193.15871	14.2
199.14841	2.2
205.15863	28.2
217.15942	1.9
229.03496	2.9
231.05066	5.9
241.15979	2.0
279.13458	5.0
279.16052	3.1
283.16953	3.5
301.17996	4.6
319.19095	2.2
374.02130	1.9
399.20401	2.2
405.19067	2.8
441.21487	13.4
457.97171	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58904	2.9
59.05012	28.1
66.73050	2.7
67.01884	5.8
67.05508	5.6
68.99797	6.8
69.06736	4.0
69.07075	50.2
69.78770	3.7
69.79166	10.8
79.05486	4.4
81.07061	4.6
91.05486	5.3
93.07035	5.3
95.04962	4.0
95.08616	4.3
103.05479	3.3
105.07000	3.1
107.08618	2.8
115.05439	4.5
119.04922	4.7
119.08633	3.4
123.04428	4.2
131.04939	5.6
133.06512	14.0
135.08006	3.1
136.27672	3.0
143.04904	4.8
145.06427	3.5
147.04437	6.8
149.02353	6.2
153.01843	100.0
157.06494	22.4
161.05984	34.8
167.03401	5.6
171.02901	17.6
171.04413	25.3
179.03394	30.4
181.06468	5.3
183.04404	9.2
187.11229	4.0
193.10210	4.2
197.05978	7.8
213.12788	2.8
221.09589	8.3
223.07611	4.5
235.07777	4.0
239.10725	17.7
241.33073	3.3
263.07050	7.0
269.08154	3.2
291.03320	5.7
291.06519	80.8
297.07678	7.7
309.07568	15.6
325.14389	3.3
346.83298	3.1
365.13858	67.7
380.11264	3.3
414.83963	3.3
433.04309	4.2
441.18973	3.3
441.25919	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	441.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.9
55.05526	3.0
57.03445	2.4
59.05003	4.5
67.05506	8.7
68.99792	6.6
69.07073	5.0
79.01897	2.2
79.05508	3.7
81.07060	5.5
83.01348	33.7
91.05488	13.7
93.07065	5.4
95.04927	2.0
95.08652	3.7
97.02888	2.7
97.06530	1.9
105.03388	7.1
105.07013	2.2
107.04967	5.0
107.08598	4.0
109.10163	4.3
117.07014	2.8
119.04937	17.5
120.05724	4.5
121.02908	2.1
121.06512	9.5
123.04416	2.1
131.01270	2.8
131.04953	2.0
133.02879	6.1
133.06548	5.1
133.10164	2.9
134.03737	2.5
137.02376	4.0
137.05977	3.3
143.04906	1.9
143.08481	2.1
145.06477	8.6
146.09125	1.7
147.03246	3.3
147.04427	65.4
149.02365	12.2
151.03963	6.8
153.01869	14.3
159.08076	2.0
161.02353	27.4
161.06026	3.1
163.03923	2.6
165.01906	4.7
167.03391	12.4
169.01314	2.1
173.71028	1.8
175.11163	2.3
179.03416	26.6
181.01332	100.0
187.03941	2.3
189.05457	3.5
198.01662	3.5
199.02399	97.5
205.04961	4.1
207.02931	4.6
217.04916	2.5
221.08099	9.6
227.07143	2.6
235.06007	19.2
237.07625	6.0
245.08098	3.4
269.07999	3.4
273.14978	2.7
281.08078	13.9
285.11130	2.0
301.07080	91.0
302.07553	2.5
303.12225	3.9
325.10519	3.4
332.43137	1.8
347.12830	2.2
349.21466	3.8
355.11685	5.1
357.13370	20.1
367.22629	6.3
385.34109	2.0
405.17206	2.8
423.18033	6.5
441.19122	3.2
441.26019	8.6
442.12170	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	441.116
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	8.3
70.06592	5.8
70.88771	3.5
70.89118	4.9
72.08179	3.3
84.08144	3.0
84.96007	3.6
85.02889	3.6
86.09726	6.9
91.05482	4.0
93.07053	2.8
97.02876	3.3
97.95180	2.3
97.96835	3.6
98.97590	23.5
103.76698	2.5
110.97572	7.5
111.99144	2.2
116.98602	5.8
121.02886	6.4
128.98648	5.7
137.74298	2.7
143.00191	4.3
146.99634	2.4
154.97939	3.9
158.72795	2.3
170.06348	2.5
170.99574	2.8
172.07922	3.1
177.00697	3.7
185.03897	3.5
201.00658	2.9
207.03333	6.7
208.03238	3.2
219.01814	9.8
237.02869	12.2
239.03641	2.9
279.06833	5.4
295.05927	5.9
296.06409	7.8
297.06406	13.3
299.08292	3.1
300.10175	2.6
302.08173	7.7
308.06403	3.4
309.06677	15.4
323.08405	5.7
324.09033	2.4
325.06952	4.8
326.07629	7.7
327.07599	45.5
339.07675	5.6
351.07559	3.0
360.97015	2.6
367.10986	6.8
375.08499	3.2
381.08694	3.4
391.08282	3.9
393.08817	10.9
405.08636	7.0
411.09821	2.9
423.09610	12.1
441.11252	100.0
441.17480	7.4
453.80829	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	441.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05546	0.3
57.03465	0.2
65.59053	0.2
67.05559	0.4
69.03454	0.6
69.07123	1.0
70.06644	0.4
71.05042	0.5
71.54957	0.3
71.55324	0.3
76.12622	0.2
77.04595	0.2
79.05538	0.4
81.03445	0.4
81.07062	1.3
85.02956	0.7
91.05498	0.4
93.07104	1.1
97.02980	0.5
105.07072	0.6
107.08670	0.8
115.03987	0.4
119.08653	0.3
124.37009	0.2
125.06049	0.2
129.12869	0.3
133.05017	0.3
133.10191	0.4
135.11760	0.6
153.12808	0.4
163.04041	0.3
175.11009	0.7
185.04338	0.8
193.12010	3.3
203.05380	0.9
221.11597	1.0
227.05276	0.6
235.13277	0.3
245.06340	3.2
279.15726	0.4
289.05319	3.5
337.16165	0.4
355.17319	10.7
379.17337	0.6
393.73230	0.3
397.18344	35.6
398.18661	0.9
441.17285	100.0
442.17722	2.9
463.22366	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	1.4
68.99779	0.9
69.89859	0.7
70.46490	1.3
70.46866	1.5
89.03928	0.9
91.05456	0.9
98.97593	2.7
111.00810	1.0
116.98605	1.1
117.03388	1.6
119.04957	1.1
123.04424	1.3
128.98627	0.7
135.04449	1.2
139.03877	1.7
143.00203	0.8
145.02863	4.5
147.04408	3.4
177.01611	1.5
177.05481	7.0
179.03426	1.9
185.04199	0.9
191.03392	1.0
192.03952	13.8
193.04688	5.8
193.05974	0.6
203.03366	1.7
218.99660	1.0
219.01700	1.2
227.05304	1.6
229.05063	1.1
234.96799	1.0
237.00781	3.5
237.02890	1.4
239.13971	0.8
245.04463	10.1
248.98500	1.0
254.51488	0.8
255.01834	1.2
257.04480	3.5
263.05539	2.2
271.04327	1.2
273.03989	1.8
285.01056	0.9
285.03934	1.9
290.99612	2.9
299.32709	0.8
309.00708	1.9
335.05737	0.8
355.10034	4.0
381.05084	3.2
397.11050	27.6
399.06400	1.0
405.06131	1.0
423.07034	5.4
441.10101	100.0
442.10281	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	439.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38056	2.3
55.05532	11.9
57.07073	6.8
65.88416	2.1
67.05508	16.7
69.07075	18.4
69.87375	4.2
69.87791	9.7
71.08611	3.4
79.05486	13.3
81.07064	30.3
83.01360	2.8
83.08608	9.3
89.06036	18.1
91.05467	12.8
93.07047	27.6
95.08617	73.1
97.10181	8.2
105.07044	25.2
107.08599	61.6
109.10155	43.6
117.07007	3.1
119.07803	4.6
119.08589	57.1
121.10153	41.9
123.11716	18.8
131.08598	5.5
133.06468	2.6
133.08607	8.6
133.10147	47.5
134.13039	2.2
135.08058	3.2
135.11688	31.8
137.13240	6.5
139.07394	2.1
145.10143	8.8
147.11688	36.0
149.13261	22.5
153.09131	7.1
159.11739	5.7
161.05962	2.7
161.13263	21.9
163.14812	14.1
167.10654	6.0
171.11633	3.1
173.13232	5.8
175.14877	15.1
177.16391	12.1
181.01338	7.8
187.14867	4.8
189.16376	46.5
189.17917	4.0
191.17957	92.7
192.18521	2.9
195.02928	3.4
199.02382	9.5
201.16484	11.2
203.17964	100.0
205.19510	23.8
213.16312	2.4
215.17973	6.0
217.19562	10.3
221.19009	3.1
229.19585	3.1
231.17360	2.3
231.21004	5.3
235.16914	5.5
239.14964	7.2
240.15163	5.1
247.17007	5.1
249.18515	17.6
261.18585	3.6
315.08560	4.6
330.79916	2.3
393.35175	10.4
439.21057	2.4
439.35822	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61218	2.4
53.87523	2.4
55.01883	2.4
55.05518	17.8
57.03437	25.0
59.04996	3.4
61.02915	6.3
66.80158	2.4
67.05523	5.5
67.95305	2.2
69.03437	89.4
69.07074	80.7
69.53922	3.9
69.54253	18.0
73.02910	11.3
81.03418	6.3
81.07045	5.5
83.05009	3.5
85.02912	100.0
87.04477	52.4
93.07045	2.5
95.08591	2.8
97.02902	84.7
98.20707	4.4
98.97585	4.5
99.04455	3.5
99.08082	3.5
103.03935	3.1
107.08594	4.3
109.02877	4.7
109.10174	3.7
111.04435	2.7
111.11726	30.3
114.07116	2.3
115.03939	92.9
127.03922	16.2
133.04982	85.4
135.11641	3.5
145.04987	24.2
150.07642	12.4
154.76608	2.8
163.06023	13.8
177.12723	2.5
243.16035	5.1
259.08167	4.3
277.09326	4.8
292.52264	2.6
295.10233	3.4
440.23169	15.2
441.24554	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	441.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87494	1.4
54.57093	1.1
56.96568	15.4
59.66002	1.1
71.54398	1.8
84.96049	6.8
85.02895	1.7
85.37228	1.4
91.05472	1.6
97.02918	1.4
98.91952	11.0
98.97591	100.0
101.00879	1.4
110.97574	35.8
111.41744	1.2
112.99143	1.7
115.60752	1.3
116.98626	25.4
119.01923	1.6
124.99162	3.3
127.00754	1.5
128.98628	23.4
131.00227	1.4
134.99683	3.6
140.98605	8.5
143.00183	15.4
143.01820	1.3
146.99677	6.4
147.04408	6.3
152.98610	5.7
155.01900	1.2
157.03455	2.2
158.99663	36.7
161.01230	9.0
163.03969	2.0
170.99675	27.6
171.01085	2.4
173.01294	2.0
173.02977	1.4
177.00731	19.0
180.97507	1.9
182.99658	19.9
189.00745	16.6
194.99724	1.8
200.02261	1.3
201.00720	49.3
203.03868	1.4
207.01794	3.6
213.00768	3.6
214.42332	1.2
219.01773	38.1
221.03023	1.3
225.04430	1.5
231.01814	5.4
235.06627	2.5
237.02795	12.8
243.01796	17.3
245.04868	1.5
253.07632	2.1
261.02847	82.6
273.02835	9.4
277.07516	1.9
279.03903	44.8
291.03888	16.7
295.08987	2.2
297.04883	1.4
321.04968	35.6
333.05023	3.7
335.08270	2.7
351.06122	5.4
365.10443	7.4
381.07410	4.3
399.08118	2.3
441.09195	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	439.2306
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
51.45513	0.5
56.60841	0.6
58.88594	0.4
67.05495	0.6
70.93935	1.0
81.03432	0.5
81.07043	1.1
85.02906	0.9
90.20607	0.5
91.05515	0.6
91.66493	0.5
93.07062	0.6
98.97606	1.0
107.48969	0.5
109.10148	0.7
119.08591	0.5
194.73763	0.5
277.14185	1.6
277.17688	0.7
315.13339	1.2
439.23111	100.0
440.23331	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	439.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49476	1.0
53.03935	3.0
55.01863	2.8
55.05272	1.2
55.05516	13.8
56.96565	4.2
57.03436	9.3
57.07068	1.4
59.04995	4.1
60.56114	1.0
61.02923	1.8
65.03935	3.4
67.05508	100.0
68.05829	1.1
69.03439	4.6
69.07072	8.2
69.87831	2.2
69.88232	2.7
71.04996	6.5
73.02916	2.6
78.98586	0.8
79.05499	17.3
81.02935	0.9
81.03423	31.2
81.07057	32.1
83.04987	7.5
83.08624	17.1
83.69283	0.9
85.02911	20.0
85.06531	3.9
87.04494	1.1
91.03938	2.0
91.05481	24.6
91.70322	0.8
93.07045	15.2
95.04970	14.4
95.08604	11.6
97.02903	3.1
97.06544	2.5
97.10190	2.0
98.21432	1.2
98.97585	2.2
105.07030	13.7
107.04973	2.4
107.08595	7.6
109.06524	3.1
109.10162	64.2
111.04436	1.7
111.08078	8.6
112.57954	0.9
114.49742	0.8
115.05457	1.4
116.98652	0.8
117.07012	1.9
119.04952	1.7
119.08590	15.8
121.06507	1.3
121.10148	6.5
123.08092	1.9
123.11678	3.0
125.09647	2.2
127.03966	1.6
129.07022	5.6
131.08588	7.6
133.06531	2.4
133.10155	5.8
135.11679	2.1
137.09598	3.4
142.07774	1.5
145.10129	2.2
145.27576	0.8
147.04413	2.6
147.08043	1.2
147.11711	12.0
149.09633	3.3
151.11113	0.9
153.01875	3.1
155.10690	4.5
157.10123	6.3
161.05923	1.7
163.11226	1.1
163.14960	0.9
165.09073	1.9
165.12794	3.4
167.03369	1.4
173.11746	15.9
175.11183	8.3
191.18028	1.0
193.12256	31.5
203.17932	1.1
211.13309	34.1
211.15295	1.9
219.01930	0.9
229.14253	4.4
243.08989	2.1
259.52319	1.0
267.06488	1.0
267.08914	4.3
267.15961	3.0
270.12735	1.1
285.10126	6.2
300.05118	1.0
301.10806	1.0
324.11371	1.9
324.61774	1.0
439.10300	1.3
439.26929	54.3
440.27072	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
55.01868	1.6
55.05517	13.6
56.96568	3.0
57.03441	8.1
57.07084	1.9
59.05015	5.1
61.02929	3.4
65.03948	2.5
65.55383	0.8
67.05511	100.0
68.05843	1.1
69.03437	4.6
69.07072	5.9
70.20305	1.4
70.20656	2.0
71.05002	5.5
73.02925	2.0
79.05501	15.3
79.05954	1.0
81.03428	30.8
81.07066	26.5
83.05002	5.3
83.08623	16.4
85.02914	18.7
85.06558	3.3
91.03962	1.0
91.05489	22.2
93.07047	11.9
95.04979	13.6
95.08611	9.6
97.02905	4.0
97.06546	2.3
97.10200	1.8
98.21416	0.8
98.97604	1.8
99.08092	1.5
105.07036	12.0
107.04961	4.2
107.08606	7.3
108.83530	0.8
109.06541	2.6
109.10165	66.0
111.04448	2.6
111.08086	8.3
113.06037	1.7
115.05408	0.9
117.07020	1.4
119.08588	14.2
121.10148	6.1
123.08096	1.8
123.11722	1.6
125.09659	1.0
127.03925	1.1
129.06993	5.2
131.08574	5.8
133.06482	1.6
133.10162	4.3
135.11742	3.0
137.09578	3.6
142.07861	1.0
145.10159	1.4
147.08061	1.3
147.11731	7.3
149.01212	0.9
149.02362	0.9
149.09657	3.5
153.01852	1.7
155.10666	5.0
157.10139	5.5
163.11186	0.8
165.12830	1.5
173.11757	19.5
173.13184	1.5
173.15793	0.8
175.11201	6.3
193.12254	33.0
199.06487	1.2
211.13319	34.5
229.14432	2.7
243.08975	2.0
246.29839	0.8
249.08008	1.3
249.14951	1.0
255.09036	4.8
267.09134	5.3
267.15912	3.2
273.10281	1.6
285.10110	4.8
309.10938	4.7
309.61005	1.8
324.11469	2.2
414.17151	1.6
439.10544	1.7
439.26935	54.5
440.27185	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2117
Annotation	Gerontoxanthone E
Peak:m/z	Relative Intensity
51.57848	1.4
53.03957	1.6
55.01870	2.4
55.05543	1.4
56.96563	1.4
59.04999	2.2
67.05508	4.5
68.99797	2.2
69.07067	8.5
69.75877	6.8
72.36492	1.2
79.05501	4.2
81.03426	3.8
81.07072	3.1
83.01339	1.4
91.05479	5.2
93.03416	2.9
93.07055	4.1
95.05011	1.7
105.07038	3.4
107.04964	2.7
107.08596	4.8
109.02889	8.8
109.06509	2.3
109.10127	1.5
117.07035	6.3
119.08560	1.4
121.02901	1.9
121.06534	7.3
133.02832	1.7
133.06544	3.8
135.04443	1.5
135.08066	46.4
145.06499	3.5
147.08096	2.9
161.02306	6.0
161.05966	8.7
163.07556	2.1
165.01868	5.5
167.03438	9.6
175.07564	2.8
176.32022	1.3
177.01848	16.8
179.03407	1.7
187.03854	1.7
189.01836	35.9
189.05469	17.4
191.03377	3.7
193.04926	1.6
195.02916	18.0
203.03333	2.2
203.07071	1.9
205.74619	1.4
207.02904	14.4
207.06532	2.7
213.05527	4.6
219.06494	8.8
231.06543	100.0
233.08011	6.9
237.07574	2.2
249.07611	51.4
251.09137	1.9
254.62314	1.3
257.08081	3.4
263.09265	1.9
277.13586	1.9
287.13068	6.3
293.08078	2.4
295.09650	3.4
304.18887	1.3
307.09781	2.1
311.09216	4.1
339.12433	5.9
347.12759	1.8
349.17206	2.2
363.15894	14.4
365.13864	48.3
367.15509	2.3
383.14880	12.6
421.20093	1.7
439.21133	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	439.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01881	2.1
55.05512	2.0
57.07072	2.8
59.45622	0.9
63.47020	1.0
67.05512	1.2
71.04992	0.9
73.06557	6.8
79.05489	1.5
81.03425	4.4
81.07047	1.5
85.06553	8.0
91.05477	1.2
91.25446	1.0
93.03409	2.4
93.07064	1.3
99.08121	3.3
100.36069	0.9
107.04927	1.0
107.08583	2.4
109.02887	16.9
109.06533	2.1
111.41309	1.0
115.05478	1.3
117.07008	2.6
121.02824	1.1
121.06500	1.6
126.32247	1.0
127.07558	6.4
133.06441	1.2
135.08055	36.1
149.02388	1.1
161.06023	1.8
163.07440	1.5
165.01834	21.9
177.01837	35.4
183.02910	5.8
189.01833	23.1
189.05508	11.1
191.03406	1.7
195.02907	39.8
203.03482	1.3
207.02884	6.7
207.06595	4.4
229.63811	1.2
231.06535	60.8
232.06940	1.0
233.08290	1.3
249.07610	100.0
250.07957	1.7
267.08649	45.1
269.07986	1.1
305.13477	1.2
341.13904	2.7
365.13788	2.1
381.95810	0.9
383.14902	92.3
384.15137	2.3
393.57980	1.0
439.21176	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	439.212
Annotation	Gerontoxanthone E
Peak:m/z	Relative Intensity
53.03951	2.1
54.01585	1.1
54.30841	1.1
55.01870	1.4
57.07069	2.7
67.05518	1.7
69.07063	1.4
70.78344	1.3
70.78672	2.0
73.06561	2.9
81.03424	8.2
81.07075	1.3
85.06559	4.0
91.05473	2.0
98.66283	1.1
99.08119	2.9
105.07042	2.7
109.02891	23.7
109.06539	2.3
117.07049	2.6
119.04913	1.6
121.06514	6.0
127.07582	5.1
127.46240	1.2
135.08064	45.7
145.06552	1.5
146.69476	1.3
149.02374	2.7
161.02353	1.7
161.05991	3.2
163.07579	1.5
165.01877	11.9
167.03427	1.7
175.07597	1.5
177.01848	62.2
183.02887	2.9
189.01857	20.2
189.05521	8.3
191.03413	2.6
195.02908	75.3
203.03358	5.4
207.02901	7.6
207.06381	2.3
213.05449	1.6
231.06546	51.6
233.08086	31.9
249.07614	100.0
250.08000	2.4
251.09169	4.5
267.08661	14.4
275.09082	2.1
284.34143	1.6
305.13928	4.6
311.09186	22.9
311.12579	2.2
365.13766	6.5
367.15454	18.2
383.14932	90.4
384.15350	1.3
439.21371	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	439.2118
Annotation	25-O-Methylarugosin A
Peak:m/z	Relative Intensity
51.23429	1.8
66.23803	2.0
67.01846	2.5
68.99795	4.5
69.07082	3.0
69.48933	10.6
72.94968	2.0
82.17603	1.9
83.01354	19.8
121.06509	3.7
133.06476	3.4
135.08049	17.2
153.01888	3.9
161.05981	20.9
180.99710	4.8
181.01334	100.0
185.55357	1.8
189.03546	2.4
199.02390	63.9
237.07588	3.1
305.13873	2.9
315.08636	86.5
366.02896	2.5
371.14841	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	439.2119
Annotation	Kenganthranol C
Peak:m/z	Relative Intensity
55.01871	1.3
62.21668	0.7
65.03939	1.3
67.05515	0.8
68.99784	1.2
69.07065	1.0
70.66359	0.8
70.66689	1.8
75.75607	0.6
77.03884	0.9
79.05488	2.2
81.03411	0.7
81.07037	1.6
83.01332	1.8
85.21925	0.6
91.05473	2.5
93.03406	3.6
93.07037	3.0
95.04967	1.2
95.08579	1.1
105.03360	1.2
105.07024	1.4
107.04963	2.3
107.08600	3.9
109.02880	2.8
109.06507	1.9
115.05459	1.0
117.07017	3.7
121.02863	1.2
121.06499	2.6
123.08059	1.0
133.02837	1.7
133.06491	1.2
135.04469	0.9
135.08063	44.4
137.40327	0.7
145.06471	1.6
147.08090	1.6
159.04396	0.8
161.02388	3.6
161.05975	2.3
163.03880	0.7
163.07523	2.9
167.03453	0.9
169.01376	1.6
173.02354	2.0
175.07574	2.3
177.01837	6.6
181.01256	1.7
189.01843	37.2
189.05455	17.9
191.03395	2.3
195.02919	10.1
199.02437	1.3
203.03444	0.8
203.07004	1.8
207.02892	12.4
207.06596	1.1
209.08083	0.8
213.05492	3.6
215.03131	0.8
219.06381	0.9
231.06534	100.0
233.08086	3.0
249.07607	44.9
257.08145	4.2
267.08786	1.2
287.12790	12.2
307.09625	0.7
311.09207	4.2
315.08591	1.8
323.12628	1.5
365.13867	59.2
366.14447	1.6
367.15579	1.3
383.10818	0.9
383.14975	1.8
421.20062	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	439.212
Annotation	Gerontoxanthone E
Peak:m/z	Relative Intensity
53.03951	2.0
55.01880	1.4
55.05506	2.8
57.03433	2.0
57.07054	0.9
59.58016	0.8
63.74180	0.9
67.05515	11.7
69.07065	2.6
71.55318	1.1
79.05493	3.6
81.03421	10.1
81.07064	5.8
83.08620	1.7
85.02907	2.0
85.06554	1.1
91.03956	0.9
91.05500	3.3
91.38815	0.8
93.07050	3.2
95.04983	0.8
95.08615	2.9
97.02883	2.2
97.06519	0.8
98.97598	2.0
105.07037	3.3
107.08641	1.3
109.02884	19.8
109.06528	1.3
109.10154	6.9
111.08118	1.0
116.98604	1.2
119.08592	2.5
120.05721	1.0
121.02881	1.0
121.06500	7.1
127.07556	2.0
129.07001	1.4
133.06516	1.5
135.01128	0.9
135.08063	39.3
147.04367	0.8
147.08046	1.2
149.01306	1.1
149.02374	2.4
158.99673	1.6
161.05930	4.4
162.03426	0.8
165.01845	3.7
167.03497	2.4
170.99780	1.5
173.11734	1.9
175.11244	1.2
177.01843	49.6
179.03401	0.9
182.03299	0.9
183.02821	1.2
189.01884	1.9
189.05472	1.7
191.03497	1.4
193.12312	2.7
195.02908	100.0
203.03354	2.2
207.02916	1.8
211.13335	3.4
215.07056	2.1
231.06528	7.8
232.07307	1.0
233.08110	38.7
234.08551	1.1
234.30843	0.9
249.07581	15.5
251.09157	8.6
259.09741	1.1
263.05984	2.1
267.08646	5.4
274.41074	0.9
279.03964	1.1
287.12903	2.1
305.13763	4.4
311.09149	51.9
312.09579	1.5
335.26086	0.9
358.16608	4.5
358.66791	1.3
359.02051	0.9
365.13867	1.6
367.15433	67.6
368.15756	2.3
383.14960	18.0
413.02698	1.0
423.08279	1.1
439.19409	10.5
439.26968	5.9
439.69330	1.8
440.19028	1.0
459.08038	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.05506	4.1
56.96565	1.3
57.03430	2.9
59.04980	1.4
61.02921	1.3
65.03925	1.3
67.05511	32.5
69.07069	4.4
69.80276	4.6
71.04996	2.1
73.02921	1.0
79.05504	4.9
81.03421	9.3
81.07061	11.8
83.04984	2.7
83.08625	4.3
84.93778	1.1
85.02915	8.3
85.06516	1.4
88.47994	1.0
91.05487	7.6
93.07044	6.2
95.04964	3.8
95.08625	5.6
97.02896	2.6
97.06511	0.9
98.21413	1.4
98.97581	2.1
105.07045	5.1
107.08600	3.6
109.02857	1.2
109.06516	1.2
109.10155	20.1
111.08060	3.0
119.08605	5.4
121.10180	2.4
123.11690	1.7
127.00053	2.3
129.06982	2.3
131.01918	1.3
131.08563	2.4
133.10107	1.8
135.11697	1.9
137.09642	1.3
145.03558	1.0
147.04445	1.4
147.11694	3.8
149.02219	1.2
149.09663	2.8
153.01843	1.5
155.01830	1.2
155.10672	2.1
157.10152	2.1
165.09084	1.2
165.12651	1.3
167.03143	5.1
173.11797	5.0
175.11105	2.0
176.52518	1.0
181.23242	0.9
185.04250	3.0
191.10451	10.0
193.12245	11.1
211.13300	10.3
221.05070	1.3
227.05307	16.4
229.14374	1.0
244.02794	1.2
245.06837	1.0
247.08458	0.9
253.03244	1.6
267.09058	2.6
267.15955	1.3
271.04266	67.5
285.10168	3.8
289.05341	5.8
324.11374	2.5
324.61725	1.9
353.15500	5.0
395.16763	25.3
395.21906	2.0
433.24011	0.9
439.15790	100.0
439.26584	16.4
439.35699	2.0
440.16257	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	439.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.0
53.03943	4.5
55.01874	9.2
55.05303	0.8
55.05513	9.1
57.03437	6.1
61.02918	3.2
65.03932	2.3
67.05508	5.8
68.99779	3.0
69.03431	27.4
69.07075	4.3
70.06567	1.1
71.01341	3.0
71.04992	2.5
71.55509	1.2
73.02908	3.2
78.59062	0.7
79.05487	9.5
81.03418	20.4
81.07056	7.5
83.01355	1.4
83.04492	1.0
83.04983	21.9
85.02904	25.5
85.06524	2.4
87.00829	13.6
87.04445	1.9
91.03938	1.0
91.05487	9.4
93.03396	2.5
93.07043	9.2
95.04961	10.5
95.08595	3.2
97.02895	13.7
97.06542	5.8
99.04466	5.0
103.03932	2.5
103.05473	1.2
105.01871	5.9
105.07017	7.3
107.04954	3.5
107.08591	9.2
109.02865	7.8
109.06527	6.6
109.10131	2.6
111.04414	2.8
111.08065	1.4
113.06016	1.5
115.03940	9.7
115.05434	2.6
115.56567	0.9
117.01852	1.0
117.07030	4.4
119.04932	4.5
119.08565	5.5
121.02870	19.1
121.06528	7.5
121.10136	2.9
123.04433	1.9
123.08058	2.0
125.05997	2.4
125.09623	1.0
127.03918	9.1
127.07532	1.7
129.01816	2.9
130.63715	0.8
131.08553	2.3
133.06467	2.0
133.10126	3.7
135.04401	1.6
135.08040	9.4
137.02319	1.0
137.05963	2.6
137.09631	6.5
139.03918	1.7
139.07549	3.6
142.07712	1.2
143.08521	1.9
145.02818	1.8
145.04962	2.3
145.06520	1.8
145.10051	1.9
147.02859	1.2
147.08054	4.5
147.11679	0.9
149.06018	1.2
149.09625	42.8
151.07547	2.1
153.01826	1.0
153.09094	1.7
155.08473	0.9
157.10060	1.2
159.02905	5.9
159.08008	1.4
159.11598	1.5
161.02368	1.3
161.09593	2.8
163.03955	1.3
163.07553	11.9
163.11177	8.8
163.14819	1.6
165.09079	1.0
173.09616	1.0
173.13284	1.2
175.11191	1.8
176.01007	1.6
177.01816	1.1
177.12723	2.3
179.03384	3.1
181.08611	7.8
187.03867	2.0
187.11157	1.0
189.01825	6.4
189.03864	1.5
189.12761	8.2
190.02599	1.5
191.03391	1.7
191.14189	4.3
195.02850	1.1
199.09648	3.7
201.03876	1.4
201.05563	1.0
203.03418	3.1
203.14323	18.7
207.02925	5.4
215.03482	1.3
219.02959	1.9
219.04982	1.9
229.01418	1.0
229.04919	2.1
231.04996	1.3
233.04420	1.2
233.15334	1.5
257.04453	1.6
267.06537	2.9
268.07275	3.2
279.06528	2.1
280.07440	1.5
281.07907	1.2
283.06018	1.6
284.06702	2.0
285.03967	1.0
285.09695	3.5
291.06424	1.3
293.08145	2.5
294.05185	7.2
295.06042	11.6
295.09232	0.8
296.06845	4.3
297.07639	6.0
299.16425	1.6
304.95016	0.8
307.06046	24.0
308.06815	9.2
309.07547	4.5
313.06989	6.0
319.05881	2.9
320.06705	1.6
321.04831	0.7
321.07660	7.1
322.08270	3.2
323.05460	1.4
323.09061	2.1
324.06308	1.4
325.07059	47.7
326.07312	2.3
333.07709	2.2
335.05527	2.5
335.09192	1.4
336.06158	2.8
337.07065	20.1
337.11005	1.6
338.07498	1.3
339.08649	2.4
347.09134	3.5
349.07132	4.9
350.03766	0.9
350.07950	2.2
350.71671	0.9
351.05228	0.9
351.08664	7.4
353.06525	4.1
353.19556	1.9
355.07901	1.6
361.06808	1.3
365.06329	5.6
365.10413	5.2
367.07983	1.6
375.08627	6.2
377.06369	1.6
379.08234	8.8
391.07858	2.3
393.09729	9.8
395.07571	1.3
403.07974	5.3
411.10654	1.5
421.09189	22.7
421.18320	1.7
422.09656	0.9
439.10095	49.8
439.15710	100.0
440.10837	1.7
440.16113	3.4
453.12442	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1576
Annotation	Fortuneanoside B
Peak:m/z	Relative Intensity
53.03922	1.2
53.93087	1.3
55.05505	5.7
56.37500	1.5
56.96563	7.7
57.03425	4.7
61.02919	6.4
67.05514	24.3
67.13199	1.3
68.32695	1.5
69.03429	5.4
69.07072	1.9
70.79263	3.5
70.79611	1.8
71.04997	2.5
73.02905	3.3
78.49059	1.5
79.05486	7.0
81.03425	10.1
81.07068	13.5
83.04977	1.5
83.08620	6.4
85.02918	11.9
85.96550	1.8
91.03931	2.9
91.05502	9.8
93.07045	6.6
95.04974	4.9
95.08593	5.7
97.02891	4.8
98.97561	4.8
99.04434	2.0
103.03896	1.4
105.07005	7.2
107.04912	1.4
107.08619	3.2
109.06559	2.0
109.10162	17.3
110.97548	1.9
111.08098	2.0
116.98629	2.0
119.01884	2.7
119.08613	4.6
121.10155	4.9
123.11720	2.3
127.08522	1.4
131.00151	1.8
131.08585	1.5
133.10069	3.1
137.09616	2.2
143.01910	2.6
145.10097	2.9
147.04408	1.8
147.11702	3.5
149.13301	2.2
159.11670	1.8
161.02864	2.6
161.05876	1.7
165.09189	1.6
173.11765	3.8
175.11208	3.7
185.04268	8.1
189.12737	1.5
193.12244	6.5
199.06412	2.1
203.05737	1.9
211.13289	6.0
231.08902	1.8
241.07654	2.1
243.08885	2.6
259.08484	2.8
267.09094	6.2
269.10284	3.3
277.10504	100.0
285.10165	6.7
295.10263	2.6
313.11313	4.9
316.11865	4.4
324.11395	3.6
337.07370	2.9
337.11270	9.9
373.32394	1.6
379.12396	3.7
398.11459	1.7
439.15744	67.5
439.25720	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	439.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01884	3.8
55.05497	2.8
57.03438	4.6
61.02914	0.7
65.03940	1.8
66.65778	0.6
67.05502	1.8
68.99791	1.6
69.03434	7.2
69.07065	1.3
70.06607	0.7
71.01343	1.5
71.04988	1.2
72.13822	0.6
77.49623	0.6
79.05488	2.8
81.03430	5.9
81.07050	2.0
82.59068	0.6
83.01315	0.8
83.04994	6.5
85.02908	9.7
87.00839	3.5
87.04506	1.0
88.03983	0.8
91.05492	4.8
93.03421	3.2
93.07034	2.5
95.04987	3.2
96.59901	0.5
97.02905	4.5
97.06522	1.9
98.97597	1.0
99.04430	1.7
103.03972	1.1
105.01843	1.7
105.07050	1.8
107.04968	2.8
107.08591	2.6
109.02898	4.6
109.06516	1.5
111.04453	2.8
111.08063	1.2
115.03926	3.1
116.98657	0.7
117.07018	1.4
119.04969	5.5
119.08604	1.5
121.02011	1.3
121.02881	25.5
121.06554	2.9
122.03394	0.6
123.04486	0.8
123.08044	0.7
125.06020	1.0
127.03937	3.1
127.07590	0.9
129.01852	1.2
131.04922	0.8
133.02863	1.0
133.06473	1.7
133.10153	1.0
135.04393	1.9
135.08075	2.3
137.02333	1.2
137.05983	0.8
137.09599	2.3
139.03920	0.8
139.07590	0.9
145.02873	3.8
145.06464	0.7
147.04430	2.6
147.08037	1.0
148.04845	0.7
149.02341	0.9
149.09630	11.5
151.03955	1.5
153.01836	5.6
154.02177	2.0
159.02907	1.4
161.02361	1.9
163.03883	1.5
163.07596	4.0
163.11171	2.8
165.01927	1.3
167.03430	0.9
168.04054	0.7
171.02956	0.8
171.04446	1.0
173.05981	0.8
175.03938	2.0
175.11159	0.8
176.01193	0.9
177.01872	2.6
179.03384	5.6
181.05060	1.0
181.06621	0.6
181.08604	2.3
187.03937	2.0
189.01837	10.2
189.03700	1.0
189.12758	1.9
190.02560	2.3
191.03415	4.2
191.14325	1.3
193.05003	0.7
194.02164	0.7
195.02937	2.1
197.04465	1.7
199.09659	0.8
201.01775	1.2
201.05521	1.5
203.03421	4.8
203.14296	4.6
204.04095	0.6
205.04950	1.2
207.02919	8.6
209.04434	1.0
215.01401	0.6
215.03459	1.7
219.03069	3.6
219.06618	1.4
221.04449	1.3
225.03900	1.3
229.04927	3.4
231.02954	1.6
233.04521	2.2
239.07126	1.3
247.02484	1.1
247.06035	1.2
251.07130	1.3
254.04926	2.4
255.04927	1.3
257.04425	2.1
267.06564	5.4
268.07306	7.4
275.05466	1.1
279.06573	4.5
280.07324	2.5
281.08115	3.9
283.06097	2.5
284.06802	3.9
285.03891	0.8
285.09808	1.2
291.06778	2.0
293.08255	4.4
294.05267	10.4
294.08374	1.2
295.02878	1.2
295.06088	16.6
295.09421	1.7
296.06781	8.0
297.07550	12.8
298.08258	0.8
305.08301	1.1
307.06042	39.0
308.06781	18.4
309.07568	10.2
310.08084	1.1
313.07074	15.5
319.05972	3.7
319.09445	1.2
320.06683	3.1
321.07602	14.9
322.04861	1.3
322.08389	5.3
323.05728	1.2
323.09192	4.7
325.07089	100.0
326.07440	2.1
332.06900	1.1
333.07480	3.1
335.05460	1.8
335.09058	1.3
336.06299	3.3
336.09845	1.4
337.07092	34.8
337.10565	1.6
338.07260	0.8
339.08658	6.2
346.08389	1.1
347.05292	1.2
347.09174	9.2
349.07159	8.5
350.07877	3.8
351.05029	1.8
351.08710	17.1
353.06470	5.5
353.10413	1.8
355.08127	3.4
357.07144	0.9
361.07065	2.9
365.06461	8.7
365.10352	9.3
367.07956	1.5
375.08655	11.1
377.06580	3.3
377.10730	0.9
378.07214	2.1
379.08154	21.5
385.07272	1.2
391.08176	1.9
393.09741	21.0
394.10468	0.7
395.07507	2.9
403.08130	10.3
409.09164	0.8
411.10696	5.1
421.09192	40.5
422.09625	1.4
439.10211	83.5
439.15836	62.8
439.20123	2.0
440.10638	3.1
440.16318	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	438.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	2.7
63.94638	0.5
67.05521	1.2
70.06599	100.0
71.08644	2.1
71.55090	0.5
81.33646	0.5
85.10210	0.9
89.06035	5.0
95.08614	0.8
109.10174	0.6
116.07103	88.5
117.07388	0.6
121.82656	0.5
133.08606	3.0
168.75372	0.5
239.14896	4.9
438.39371	9.8
439.39365	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0575
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74376	1.3
56.87602	1.5
68.18785	1.3
70.36936	4.5
70.99863	2.8
73.74431	1.3
77.00906	3.2
80.14135	1.3
82.65537	1.4
82.99849	3.4
89.00910	2.4
91.05476	13.4
93.78873	1.5
95.95175	1.2
101.00896	36.0
113.00867	4.9
115.02433	6.1
119.01936	38.2
119.04953	29.3
127.02454	2.9
129.38304	1.3
131.01953	7.0
133.03474	8.1
135.01418	2.8
137.02940	2.3
143.01906	42.8
145.03493	9.3
147.01389	3.2
147.04416	100.0
149.02957	1.6
157.03458	5.3
159.01408	3.6
161.02974	39.9
162.03131	1.8
168.99829	8.0
169.03476	2.2
171.01357	5.3
172.99321	1.9
173.02997	7.7
177.02486	6.1
185.03119	2.8
187.00882	9.1
187.02457	3.2
187.04572	2.2
189.02444	4.1
191.00346	2.6
191.04100	2.0
195.01437	2.8
196.99240	2.6
199.00897	3.4
201.02428	3.9
203.03984	3.7
205.01982	2.4
205.03479	14.8
210.60136	1.5
213.02403	4.9
215.00400	11.2
217.01965	5.1
219.03491	4.5
223.04543	14.6
229.01544	2.4
229.03708	10.1
231.03571	4.4
233.01501	2.2
235.04631	1.7
241.05704	2.2
247.04721	39.8
261.02591	3.3
261.06091	2.0
265.05719	25.6
275.02493	6.0
277.08978	2.7
283.06641	4.5
289.03677	8.2
291.03687	3.7
293.03583	19.8
305.03610	2.2
307.04953	8.3
321.02991	4.0
323.04562	1.7
333.03085	7.0
351.04123	3.4
361.02557	7.3
363.04324	1.9
379.04825	9.9
391.03412	2.9
397.06332	3.0
408.96320	1.7
409.04532	3.2
421.04761	4.0
439.05899	2.6
439.13977	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	439.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	1.4
70.06591	5.0
70.27267	1.9
70.99871	0.9
73.71117	0.7
77.00910	0.9
82.99875	0.8
84.04511	0.8
91.05487	14.7
96.92223	2.2
98.97604	0.7
101.00890	12.1
102.05499	0.8
108.49255	0.8
110.07113	0.7
113.00853	0.9
115.02450	1.9
119.01936	11.9
119.04953	29.6
129.00346	1.2
131.01918	1.9
133.03485	2.3
143.01903	8.8
145.03488	1.3
147.01344	1.9
147.04422	100.0
148.04767	0.9
155.01973	0.8
159.01436	1.0
161.02982	11.7
163.03899	1.0
168.99817	0.9
171.01382	0.8
173.02933	0.7
175.00925	0.7
177.02405	1.0
183.05002	0.7
184.58623	0.7
185.03011	0.7
187.00891	1.1
187.02342	1.5
191.00395	0.8
191.01965	0.9
203.04091	0.7
205.01801	0.7
205.03476	12.5
213.12398	2.9
215.00545	1.0
223.02658	0.8
223.04588	10.8
229.03455	10.9
231.07108	0.8
233.03145	1.0
237.06178	1.1
241.05646	1.9
243.05040	0.7
245.05061	0.8
247.04596	39.1
248.04819	0.9
251.04646	1.0
257.09152	0.6
261.02533	1.7
261.06107	2.8
263.04089	1.0
265.05649	24.1
270.06235	1.2
271.64951	0.7
273.02438	1.1
275.03976	0.9
277.08847	1.0
279.07159	1.0
283.06714	4.4
288.07291	1.1
289.05618	3.5
291.03650	2.7
293.03629	2.2
303.03555	1.2
307.06387	1.0
321.10342	2.3
333.04443	0.8
351.05673	2.1
361.04120	3.4
365.10745	1.1
379.05133	7.4
381.10455	1.0
397.06064	2.0
399.11472	0.8
439.13898	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	2.3
55.05516	4.1
57.03442	20.5
59.05010	2.1
61.02930	8.3
67.05513	100.0
69.03444	35.6
69.07055	3.2
69.17628	21.7
70.06623	2.6
73.02927	43.1
79.05502	5.9
80.66344	1.9
81.03414	4.2
81.07080	14.5
83.04990	2.9
85.02917	42.4
86.09702	2.8
87.04474	10.4
91.05491	4.5
93.07079	3.3
95.04997	2.9
95.08614	5.6
97.02904	40.0
99.04527	2.9
99.98312	2.4
105.07072	4.5
107.08542	3.0
107.72355	2.1
109.02901	5.6
109.10169	93.9
110.39968	2.4
115.03957	37.5
119.08627	2.1
121.10194	4.4
127.03930	13.1
131.08572	3.7
133.04962	23.6
133.10176	2.4
137.09587	2.7
145.04982	16.5
146.06020	3.2
147.08049	4.8
147.11670	2.3
150.07666	4.4
163.06091	5.2
165.45093	2.1
167.61635	1.8
173.13419	2.2
189.12758	3.0
223.05969	4.0
241.07205	4.3
257.62875	2.1
259.08130	3.2
266.91663	2.0
284.30380	2.0
297.12372	5.6
313.11832	3.3
351.87729	2.2
410.20844	3.0
438.21298	7.4
439.23880	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	438.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	10.0
63.33363	8.2
67.05506	47.6
69.03434	10.5
69.07046	9.2
70.54005	16.6
70.54359	21.8
71.91224	7.8
76.36194	7.9
79.05482	28.5
81.07062	34.9
83.04954	10.1
83.80360	8.5
85.02896	24.4
87.50673	8.1
91.05495	22.9
93.07069	48.0
95.08612	49.0
105.07039	24.2
107.08611	22.3
109.10149	31.7
119.08566	17.1
121.02863	18.5
121.10153	65.4
131.08623	11.3
133.10089	15.3
135.08113	20.3
135.11699	21.4
163.14795	19.2
177.16405	54.3
187.14815	35.9
205.15945	32.3
213.18582	15.2
223.16971	100.0
241.17967	80.8
259.19067	10.2
295.05804	10.8
319.37903	9.7
325.07190	11.4
412.08145	8.6
421.08948	17.0
438.20892	12.5
439.10001	32.0
439.18970	14.5
439.23865	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.4
55.01876	1.8
55.05513	3.7
56.96567	1.6
57.03425	2.3
63.86770	1.3
65.03919	2.0
65.85781	1.4
67.01877	2.6
67.05512	2.0
68.99796	5.3
69.03434	7.2
69.07079	2.5
69.39873	10.1
69.40300	3.1
71.96498	1.3
77.12473	1.7
79.05502	1.9
81.03419	1.7
81.07061	1.8
83.08636	2.4
84.04536	1.8
85.02914	6.4
86.06067	3.2
87.04473	3.4
91.05457	2.0
94.86890	1.4
95.04942	7.1
95.08590	1.5
97.02918	2.9
98.20751	3.0
98.97594	2.2
99.08109	1.8
107.04964	3.7
108.97485	2.2
109.02901	2.9
111.00812	3.7
111.02689	2.0
111.04476	2.8
115.03916	1.8
121.02889	6.4
123.02731	1.8
123.04424	2.1
127.03886	3.7
133.02864	19.4
133.04976	1.6
133.10136	3.1
135.02669	1.6
135.04477	4.3
135.11740	1.6
137.05957	8.9
138.52255	1.5
139.02141	3.1
139.03862	7.7
147.04547	1.6
149.00597	2.6
149.01239	2.0
149.02351	23.0
151.02136	5.8
151.03896	14.3
153.01842	90.2
154.97986	17.8
155.01495	2.0
163.02061	1.8
164.04739	2.0
165.00087	5.9
165.01785	1.7
165.05490	16.0
166.06256	37.4
167.01657	18.5
167.03413	7.1
169.03209	3.5
171.02924	3.5
172.04308	2.3
172.99020	1.7
173.04535	2.1
174.03894	6.7
177.01819	2.7
178.00902	1.5
179.01605	2.3
182.97511	11.9
183.01108	4.1
184.99095	2.7
185.05998	2.3
191.01718	2.3
193.03226	9.0
193.04872	2.4
195.02841	9.2
197.02686	5.7
198.03540	2.9
200.98518	6.1
209.02754	3.1
213.05573	3.0
219.01219	3.2
221.02715	3.6
223.02493	2.2
229.05042	8.0
232.01871	1.5
233.02696	11.7
241.14355	2.3
243.01134	2.4
245.02615	3.4
247.00684	8.0
248.01413	4.4
257.04767	3.3
261.02194	12.9
262.02921	1.7
263.03760	6.4
265.01791	2.0
267.12552	1.6
269.04852	1.8
271.00571	4.2
275.03769	13.0
286.07458	5.9
289.01688	4.5
293.04922	1.9
297.02487	2.0
303.03201	15.2
308.06668	1.9
309.16974	1.5
317.01172	2.1
325.07108	5.8
329.04926	2.3
331.02673	19.3
349.03766	100.0
357.04260	7.6
367.04889	19.9
375.05182	9.8
385.03827	6.2
403.04718	6.8
421.05801	27.5
429.17896	4.2
438.08444	14.9
438.25830	6.5
439.10284	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
67.01854	2.2
67.05501	0.7
68.99793	3.1
69.03416	2.0
70.02946	0.8
70.06602	0.7
70.94491	1.7
74.00668	1.2
79.05526	0.6
81.03394	0.9
85.02897	0.9
88.03992	11.3
91.05487	0.8
95.04968	1.1
97.02904	1.4
107.04936	1.5
109.02863	1.7
111.00780	0.9
111.04429	0.9
113.02374	3.8
120.01124	1.3
121.01073	1.2
121.02864	2.4
123.04449	7.0
125.06011	0.7
127.03901	1.8
128.62436	0.5
137.00604	0.9
137.02354	0.7
137.05943	1.4
139.03908	2.4
148.02136	1.0
149.00558	6.4
149.02344	1.5
153.01831	100.0
154.00989	0.6
154.02188	0.9
162.56770	0.6
164.01735	0.6
164.04718	0.7
165.00044	3.8
166.05133	0.6
167.01607	2.2
167.60036	0.5
169.03191	23.2
171.02954	0.6
176.01659	9.0
176.07054	0.7
180.02419	1.6
181.03200	2.1
189.01843	1.1
190.03128	0.7
192.13947	0.6
193.01888	4.2
194.02907	1.0
194.04521	6.8
195.01186	1.1
195.02879	0.9
197.02718	1.2
203.03319	0.7
207.01094	0.8
208.04274	20.1
218.00252	0.8
220.63739	0.6
222.05891	0.7
232.01935	1.3
233.02620	1.0
239.02165	0.8
240.05016	1.7
241.14378	0.6
243.01018	0.8
247.04245	0.9
254.04832	75.1
255.05165	1.2
259.00626	2.0
259.06015	1.0
260.01459	3.4
267.06381	0.6
268.06363	2.7
269.04782	2.5
271.00607	4.9
275.03690	5.2
286.04660	1.1
286.07452	9.7
287.00153	1.9
288.00784	2.9
293.04803	5.9
293.07788	1.0
294.05096	1.7
295.06058	1.8
296.06882	0.7
297.07593	0.8
299.00058	7.9
301.07053	1.6
307.06140	3.9
308.06757	1.5
309.07550	1.0
313.07068	0.9
316.00381	18.6
319.06323	0.8
321.04294	6.2
321.07587	0.9
322.08047	0.9
325.07074	7.8
329.04706	1.3
331.02692	19.9
331.06659	1.1
333.04269	10.6
337.06985	3.7
339.08499	0.8
349.03625	6.3
349.07196	1.1
351.08667	1.1
353.06833	0.7
356.05740	2.1
365.06531	1.0
365.10474	1.0
375.08743	0.9
379.08075	2.1
393.09680	1.6
402.06369	0.6
403.08173	1.1
406.18594	0.6
420.07404	5.3
421.09918	3.8
438.08548	3.9
438.14545	3.4
439.10129	6.3
439.15775	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	437.1964
Annotation	1'',2''-Dihydro-O-methylcyclopomiferin
Peak:m/z	Relative Intensity
53.03946	1.3
53.34532	0.9
55.01865	2.8
55.05505	2.9
57.03432	3.4
57.55033	0.9
65.03931	2.1
67.05515	6.9
68.99747	1.1
69.03442	1.5
69.07076	36.5
69.30068	8.4
72.58557	0.8
74.98551	0.8
79.05505	8.2
81.03432	1.9
81.07063	8.1
83.01245	0.9
83.04994	1.2
83.08617	2.1
88.64574	0.8
88.72884	0.9
91.05477	7.0
93.07046	4.7
95.04966	2.9
95.08604	3.2
97.06508	1.9
99.00847	1.5
103.05447	2.7
105.07044	5.6
107.01320	0.9
107.04982	2.0
107.08599	3.5
109.06496	4.4
109.10136	3.8
115.05378	1.4
117.07061	1.9
118.04154	3.2
119.05012	1.2
119.08595	3.0
121.06516	24.4
121.10155	2.0
128.06244	1.1
129.07008	2.1
131.08530	1.8
133.06503	32.1
133.10123	1.2
135.04427	8.7
135.08049	2.1
135.11667	1.4
137.02332	3.8
137.05984	2.9
144.05725	1.7
145.06499	3.8
145.10136	2.3
147.04408	2.8
147.08076	4.7
149.02383	1.7
149.06032	1.5
149.09627	2.1
149.13268	1.2
151.03864	1.2
151.07559	4.6
154.99753	2.4
157.09982	1.2
159.08064	3.2
159.11766	1.7
161.05994	100.0
163.03862	1.2
165.01936	1.5
165.07040	1.4
165.09087	2.0
167.03535	1.4
171.08035	5.2
173.06020	3.5
175.07532	2.6
177.01855	2.7
177.05386	2.0
179.07051	1.3
185.05991	2.6
187.07533	2.8
189.05554	1.9
189.12737	2.3
189.16135	1.1
195.02872	1.8
195.08035	1.6
199.07539	2.7
201.05563	1.8
205.01344	1.6
205.04985	4.2
207.13861	2.1
211.07530	2.0
213.05431	1.2
215.07065	6.5
217.12181	1.4
219.06442	1.9
220.02419	1.6
221.08215	1.3
223.02451	2.7
225.05441	1.9
227.07076	3.2
227.12898	1.3
229.05011	1.4
230.00905	2.4
231.06543	1.9
235.05861	1.7
239.06975	2.0
241.08609	1.2
243.06570	8.4
245.07898	1.6
247.03551	3.1
247.06114	2.5
249.07655	6.6
251.07121	2.0
253.08681	1.8
259.06143	1.8
261.07657	4.8
267.06561	2.5
269.07996	2.4
271.05933	6.4
281.08084	3.7
285.07596	2.6
285.11194	2.3
295.06033	4.1
297.07559	3.4
303.12198	2.9
307.06146	1.9
313.07065	14.0
317.13931	1.1
321.13382	1.1
325.07089	12.5
337.14368	3.2
345.13889	1.5
347.15381	1.2
351.12491	1.9
363.12234	4.0
369.13092	1.9
381.08585	2.7
381.13400	32.4
399.09305	2.3
411.02679	1.0
419.18494	1.4
437.14160	1.3
437.19690	14.6
437.29526	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	437.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20741	1.8
55.05518	10.0
57.07063	4.2
58.30997	1.8
58.34504	2.0
59.04992	2.1
67.05507	47.1
69.03429	6.8
69.07071	35.5
79.05495	11.9
81.07059	37.9
83.04996	13.2
83.08632	4.0
85.06528	3.9
91.05469	10.1
93.07064	11.0
95.04960	12.7
95.08620	26.9
96.59927	2.0
97.10155	3.6
97.17964	1.8
98.27935	1.9
100.02881	2.0
105.07041	15.4
107.04928	3.7
107.08598	18.6
108.30557	1.9
109.06507	11.7
109.10165	100.0
111.08109	3.1
117.07023	5.4
119.04932	2.5
119.08592	21.2
121.06489	5.5
121.10158	16.2
123.08055	7.0
123.11719	23.5
125.09597	2.8
126.67561	1.8
129.07004	2.7
131.08574	9.1
133.06502	15.2
133.10132	15.3
135.08032	6.7
135.11687	7.8
137.09608	3.7
143.08583	7.1
145.10165	13.9
147.08092	1.9
147.11674	11.7
149.09634	2.5
149.13292	3.8
151.11191	32.5
155.08524	2.9
157.10143	4.5
159.11732	11.0
161.05995	34.2
161.09653	2.6
161.13268	7.6
163.03937	3.4
163.11200	4.2
165.08981	2.0
165.12808	3.4
169.10197	5.8
171.11688	8.3
173.13272	12.0
175.11169	2.3
175.14862	7.8
177.01730	1.9
183.11610	2.2
185.13258	4.8
187.11174	3.3
187.14864	3.7
189.05475	2.3
189.12776	3.8
189.16418	3.3
191.03404	4.9
195.02901	4.3
197.13243	3.5
199.14920	4.4
201.12709	3.1
203.14340	4.0
205.05115	2.4
207.06555	2.4
215.14200	3.6
215.17947	2.7
217.15913	2.5
227.17834	2.8
229.15984	3.3
233.08090	4.6
235.06044	42.2
253.19447	2.4
261.07404	2.3
271.20593	37.1
285.11380	3.4
297.22131	2.2
303.12268	8.3
313.07138	1.8
327.22934	2.4
351.26953	3.3
355.26270	4.1
369.13361	12.7
369.27884	4.5
381.13556	2.9
419.18484	2.8
419.33032	6.4
437.19714	7.2
437.28964	2.6
437.34216	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	437.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42856	1.2
53.03956	1.3
55.01870	1.5
55.05502	3.8
57.03429	1.2
59.12357	1.2
66.77508	1.2
67.05506	10.9
68.99805	2.9
69.03434	2.3
69.07079	10.3
70.08852	1.2
70.71740	3.0
70.72061	1.5
71.04990	1.2
72.98124	1.2
79.05489	8.7
81.03442	2.7
81.07066	8.5
83.01331	6.7
83.08607	1.8
88.73699	1.3
89.96477	1.3
91.05492	5.2
93.07048	6.6
95.04982	1.9
95.08608	3.1
97.06531	1.6
103.05465	3.7
105.07040	9.4
107.04977	1.9
107.08591	3.1
108.79465	1.2
109.06522	3.8
109.10178	7.2
115.05423	2.2
118.04174	4.1
119.08591	3.4
119.59467	1.2
121.06530	12.0
121.10105	1.4
123.11736	1.5
133.06493	29.2
135.04456	2.4
135.08066	4.0
135.11745	3.1
137.02371	2.2
137.05994	3.4
139.07605	2.2
147.08026	2.1
149.06049	2.7
149.64470	1.3
151.07527	2.3
153.01944	1.2
157.10059	1.2
161.05992	97.0
162.06380	1.9
163.03914	1.7
163.11212	3.5
165.01837	2.8
165.09129	3.0
179.03387	1.7
179.07050	2.6
181.01326	16.8
183.02873	1.4
189.05450	6.1
189.12727	2.7
191.03452	4.2
193.01309	6.5
193.04968	2.9
195.02887	1.3
199.02367	12.0
206.05743	1.4
207.02997	2.1
207.06581	3.3
217.04893	8.5
219.02895	2.6
227.12794	1.8
231.06657	1.5
235.06029	100.0
236.06389	2.6
237.04028	2.5
243.06601	1.5
252.06323	1.7
253.07059	5.9
261.07556	2.1
285.11279	16.1
303.12384	9.2
315.08640	9.6
321.13165	2.0
327.12360	3.3
369.13385	20.7
419.18509	3.5
437.19446	11.0
437.24960	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	437.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	1.2
55.01868	2.9
55.05513	1.5
66.25639	0.9
67.01873	5.5
67.05509	2.5
67.69778	0.9
68.99798	6.1
69.07075	21.1
69.78643	1.0
71.54987	1.6
79.01856	4.7
79.05510	2.3
81.07060	6.8
83.01351	37.8
91.05480	2.7
93.07069	1.4
95.01299	1.0
95.04958	1.3
95.08623	4.9
97.02928	2.0
103.05478	2.6
105.07032	3.7
107.01318	2.7
107.04975	2.4
107.08586	1.9
109.10184	6.9
117.07060	1.8
121.06488	2.4
121.10134	2.4
123.04372	1.5
123.07970	1.0
123.11733	8.9
125.02338	1.9
131.04941	3.5
131.08549	1.5
133.06500	19.8
135.00777	2.6
135.08067	4.3
137.02333	1.5
145.06494	3.0
147.04466	2.0
147.08044	2.2
151.07579	1.6
153.01862	7.4
155.03394	2.4
157.06448	2.3
157.10117	1.9
158.07272	1.7
159.04439	3.6
159.08057	1.5
161.06026	2.8
161.09644	1.5
169.01312	4.9
169.04996	1.8
169.06352	1.4
171.02855	1.5
171.08154	1.3
173.06050	2.4
173.09671	5.2
175.11232	3.0
177.05505	2.7
179.03404	4.2
181.01335	88.7
182.01884	1.1
183.02922	30.9
185.09630	2.0
187.11127	1.6
189.12791	10.2
195.02940	2.3
195.08087	2.0
197.09581	2.0
199.02394	100.0
199.11266	1.6
200.02840	1.5
201.12738	1.3
207.02916	17.3
209.04451	17.5
213.09087	3.6
215.10689	9.1
221.04411	2.0
231.06551	1.5
235.05931	5.6
241.05054	1.3
249.07523	10.5
257.19034	1.8
263.90085	1.1
267.08597	5.7
275.09195	2.0
281.15573	1.3
303.12482	1.3
313.07071	2.3
315.08545	7.6
344.80417	1.2
357.13330	1.2
369.13379	51.9
370.13815	1.9
381.13354	5.5
395.18515	2.1
419.18506	1.7
437.19656	29.1
460.56747	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68159	1.2
53.03960	1.9
54.71782	1.3
55.01876	2.5
55.05504	5.4
65.03930	1.9
67.05511	14.2
68.99795	5.7
69.03420	2.5
69.07056	7.9
71.04994	4.8
71.55843	2.2
75.67670	1.3
77.03896	1.3
79.05493	11.2
81.03437	1.6
81.07070	10.4
83.01346	2.4
83.04979	4.5
83.08597	1.7
91.05490	15.7
93.07044	13.7
95.04968	3.4
95.08614	6.2
96.23188	1.4
97.06516	3.5
103.05446	3.6
105.07044	14.1
107.04975	4.3
107.08608	13.7
109.06512	3.6
109.10169	7.1
113.06020	4.0
115.05424	1.9
117.07031	6.0
118.04171	4.2
119.04903	3.4
119.08588	17.0
121.02889	3.5
121.06513	29.6
121.10143	4.0
123.04460	1.5
123.08079	5.2
128.06226	4.5
129.07019	5.0
131.04913	2.4
131.08572	13.3
133.06499	34.4
133.10124	4.2
135.04451	2.5
135.08066	19.5
135.11719	5.6
137.09650	1.8
137.69963	1.7
141.06972	2.3
143.08571	6.2
144.21048	1.5
145.06496	3.4
145.10139	3.9
147.04440	3.0
147.08058	16.8
147.11700	7.4
149.02361	3.3
149.05962	8.7
149.13234	3.7
151.07561	2.5
153.01820	1.8
156.09355	6.5
157.06564	3.0
159.04466	3.1
159.08063	5.8
161.05988	100.0
161.13309	5.2
162.06430	2.0
163.07536	21.1
163.11154	3.9
165.01782	2.5
165.09149	7.3
167.07037	2.2
171.11690	15.2
173.06023	4.6
174.10472	1.5
175.07550	3.5
175.11194	2.2
177.09108	3.9
181.08606	1.7
187.07614	2.1
189.05553	1.7
189.11087	2.6
189.12746	33.1
191.03549	2.3
191.07079	13.2
193.01399	1.7
193.05063	2.4
195.11674	1.5
197.09534	1.7
199.11154	5.9
203.07076	5.0
207.06564	2.9
207.13824	6.0
209.08086	2.7
215.07054	10.9
215.10641	2.4
217.04938	7.5
217.12250	12.2
219.06508	2.4
227.03366	11.6
227.06885	1.6
227.12791	3.6
229.05057	1.7
229.12459	1.8
231.06517	19.1
233.08086	11.1
235.06004	15.1
235.13272	11.1
241.04976	9.9
242.05762	9.1
243.06628	2.6
245.04448	5.5
245.08153	2.1
247.06123	7.2
249.07568	23.9
251.09177	2.7
257.08112	3.1
257.11652	2.3
259.06149	3.2
260.06805	1.7
261.07690	2.5
261.25119	1.6
267.10190	5.1
279.08646	3.2
285.11206	68.1
303.12277	81.8
311.12772	2.5
321.13358	41.6
329.13754	2.4
345.24332	2.1
349.10455	1.8
349.14401	5.0
351.12274	7.0
365.13919	2.1
369.13504	2.6
377.17358	2.2
395.18692	3.2
419.18500	17.8
437.19510	18.0
437.25616	4.8
437.34186	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96600	1.0
55.28766	1.2
62.18880	0.9
64.95600	0.8
69.07066	12.7
69.41909	0.9
71.03851	1.3
71.04196	2.0
81.07060	1.8
99.00816	1.0
103.05446	1.0
105.07023	2.2
119.04934	2.0
121.06543	5.2
123.11723	1.8
133.06511	10.2
151.03755	1.1
151.07533	2.4
161.05994	30.6
181.01360	3.3
189.05482	4.0
193.01321	5.0
193.04977	3.4
207.06512	2.5
217.05029	2.0
219.02902	4.6
233.04489	1.9
234.05234	1.5
235.06023	100.0
236.06268	2.2
237.03853	2.2
252.06351	1.2
253.07106	2.6
303.12302	1.8
327.11926	1.6
332.51678	1.1
369.13367	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	437.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43370	1.3
53.03954	1.5
55.01874	3.6
55.05513	5.8
57.07084	1.5
65.03958	2.0
67.05513	19.8
67.43045	1.6
68.99778	1.7
69.03457	1.5
69.07079	15.3
79.05502	10.6
81.03418	1.9
81.07060	11.0
83.04995	7.5
83.08615	3.0
91.05476	9.7
93.03407	1.5
93.07045	11.2
95.04976	4.1
95.08607	8.9
97.06542	10.3
98.21539	3.4
103.05479	1.7
105.07038	14.7
107.04993	4.0
107.08609	8.4
109.06538	5.8
109.10181	10.5
117.07028	3.9
118.04162	4.2
119.04976	4.1
119.08595	8.8
120.15176	1.2
121.06519	30.0
121.10143	2.8
123.08115	4.4
123.11703	1.9
128.06212	1.4
129.06993	2.7
131.08582	4.3
131.38187	1.3
133.06505	36.0
133.10135	5.7
135.04443	2.5
135.08069	12.8
135.11685	5.4
137.05995	4.5
137.09700	1.4
142.07767	2.1
143.08594	2.8
145.06555	1.7
145.10147	4.9
147.04463	3.1
147.08054	8.0
149.02292	1.6
149.05986	2.9
149.09612	2.0
149.13387	1.5
151.07581	4.2
155.08641	2.0
156.09369	4.1
157.10223	1.5
159.08072	4.2
161.05995	100.0
161.09589	2.8
161.13283	7.2
163.11234	7.5
165.01855	1.9
165.05540	3.8
165.09175	9.6
165.40166	1.1
169.01302	6.4
171.11676	10.5
173.09671	2.3
173.11763	2.6
174.10370	1.4
175.07581	4.7
175.11308	2.1
177.09158	2.0
179.03413	10.4
179.07021	8.7
181.01378	3.2
183.06564	4.1
189.05522	3.5
189.12749	15.6
191.03351	1.8
198.15813	1.4
199.11166	10.4
201.05496	3.4
203.07065	2.1
207.06580	5.3
207.13844	5.9
215.07001	1.6
217.05038	3.0
217.08699	2.9
217.12276	15.0
219.06519	3.1
227.07101	2.2
227.12752	3.3
229.04944	2.8
233.04504	3.5
235.06029	4.1
235.09785	2.8
235.13362	4.9
239.10663	2.2
243.06622	4.6
247.06029	4.8
251.05582	4.7
257.11728	3.6
261.07605	2.8
263.09167	1.9
267.10205	8.2
275.12671	2.1
279.08710	3.9
281.08118	3.0
285.07742	4.0
285.11212	33.4
303.12286	68.8
317.17834	1.7
321.13373	12.1
337.14417	2.1
341.13751	4.1
363.12259	4.6
369.13635	2.7
381.13147	2.5
381.17535	1.9
401.17566	1.7
419.18750	12.4
437.19547	17.7
437.25372	6.1
437.34509	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	437.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01868	3.1
55.05497	4.3
56.96563	1.6
57.03434	1.6
57.07074	3.0
65.03951	0.9
67.05175	1.2
67.05508	17.0
68.99789	2.8
69.07060	4.2
70.19159	2.6
70.19553	1.8
71.05000	1.2
78.14129	1.0
79.05493	8.2
80.10183	0.9
81.07068	12.5
82.92505	1.0
83.04998	1.7
83.08608	3.7
91.05489	8.7
93.07060	9.9
95.04963	2.6
95.08606	9.6
97.06547	1.5
97.10165	1.9
102.34805	0.9
103.05460	2.5
105.07022	10.0
107.04966	2.1
107.08584	8.1
109.02866	1.4
109.06525	2.6
109.10178	10.4
115.05441	1.2
117.07012	3.0
118.04137	3.5
119.08575	11.3
121.05660	2.0
121.06506	33.8
121.10120	3.2
123.08076	4.7
123.11698	1.5
129.07011	1.3
131.08542	3.0
133.06502	35.4
133.10144	4.3
135.04477	1.5
135.08066	13.4
135.11687	7.6
137.05960	2.0
137.09627	2.9
143.08563	1.4
145.10120	3.0
147.04477	1.3
147.08073	8.2
147.11708	2.3
149.05775	0.9
149.09598	1.6
149.13239	3.3
151.07545	4.6
157.06523	1.2
159.08049	2.1
159.11642	1.5
161.05989	100.0
161.13284	3.5
163.11171	11.5
165.05498	1.6
165.09114	27.6
167.03331	1.5
169.01331	1.5
171.11662	3.7
173.06003	2.1
173.11766	2.4
173.13205	1.4
174.06728	1.1
175.07547	6.9
175.11119	1.4
177.01816	1.3
177.09088	1.5
179.06947	1.2
187.07504	2.7
189.01839	1.2
189.12708	6.2
191.06981	1.2
191.14311	1.8
193.08627	4.2
195.02882	2.3
199.11203	2.8
201.05435	1.8
203.03448	1.3
203.06979	3.3
207.13838	7.3
215.07039	2.6
215.10625	1.6
217.05008	1.6
217.12248	13.7
219.06523	1.1
227.12778	6.3
229.05025	1.8
229.12207	1.4
231.06577	3.1
233.08104	1.2
235.06071	1.4
235.13313	10.5
239.05437	1.3
241.96552	1.0
243.06604	6.5
247.05984	2.0
249.07538	2.0
257.08148	1.2
257.11658	1.9
259.13275	2.0
260.06763	1.9
261.07520	3.3
275.09192	2.8
275.12732	2.6
279.08624	10.7
285.11182	26.4
303.12268	28.4
304.08783	1.2
321.13452	5.5
342.98563	1.1
351.19516	2.0
359.12488	1.4
376.12936	2.5
377.13641	2.4
391.19119	2.5
395.14746	3.1
401.17465	2.8
419.18594	17.9
437.19711	20.1
437.25195	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	436.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	9.9
53.63417	5.9
55.01871	13.5
55.05524	7.8
56.96561	12.6
57.03449	7.9
57.07066	8.5
57.56284	5.2
61.02921	8.8
61.55009	5.8
67.05516	16.4
69.03431	43.3
69.07090	14.8
69.20349	56.6
71.04999	25.7
73.02919	8.6
79.05496	12.8
81.03417	24.6
81.07053	32.3
85.02916	81.0
87.00861	43.7
90.51224	6.7
91.05527	15.1
93.07076	28.8
95.04977	11.5
95.08614	17.2
97.02896	46.2
97.06552	7.2
98.97630	7.9
99.04462	8.1
102.70269	6.0
105.01880	46.7
105.07077	13.8
107.08590	37.9
109.02883	20.8
109.06530	14.7
109.10174	18.5
113.27013	5.5
117.24567	7.2
119.08588	21.4
121.06476	6.9
121.10149	7.6
127.03908	49.5
131.08603	8.5
133.10178	9.9
135.11725	35.5
137.13292	8.5
141.75517	6.1
145.04993	23.4
145.10135	6.5
147.04485	7.2
153.12776	100.0
159.02919	10.6
165.12857	11.3
168.37685	6.3
173.09741	6.2
181.05075	9.7
231.04948	18.2
239.02235	8.8
239.16537	8.0
261.14923	9.8
328.22482	6.6
347.14618	6.6
365.15759	9.1
435.07776	6.7
436.19775	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	437.1448
Annotation	Phloridzin
Peak:m/z	Relative Intensity
50.64410	0.6
51.49854	0.6
53.03945	0.9
55.01883	1.5
55.05507	0.8
56.01581	0.7
56.96559	1.7
57.03440	1.2
58.26078	0.7
60.34948	0.6
63.85682	0.8
67.05499	1.2
69.03415	1.2
71.18442	1.0
73.02918	1.0
77.03924	0.8
79.05492	2.5
81.03417	1.0
81.07049	1.4
81.28755	0.7
85.02909	5.6
91.05479	1.7
93.07050	1.7
95.04975	1.6
95.08640	0.9
97.02922	1.6
98.97589	4.8
99.04446	0.8
103.03936	1.0
105.07077	1.7
107.04960	100.0
107.08575	0.9
108.05282	0.9
109.02856	1.6
109.10165	1.0
110.97546	0.8
116.98611	1.0
119.08595	0.8
121.02927	1.1
121.06513	2.5
121.10170	1.1
123.04428	1.2
127.03968	4.1
128.98592	0.8
131.04930	2.8
131.08586	1.1
133.10068	0.7
137.05991	1.3
139.03906	1.7
147.04399	1.7
147.26457	0.9
149.05998	8.9
151.03882	4.4
153.12787	1.5
161.05878	1.0
163.03932	2.4
167.07051	2.0
168.36195	0.7
169.04973	4.9
173.06044	3.2
175.03870	0.8
177.00723	0.8
181.04977	4.1
187.07478	0.8
188.56575	0.8
189.09177	0.9
191.07051	0.8
193.04887	4.7
201.00716	0.8
205.04965	1.3
207.06566	1.1
211.06038	3.6
215.06915	1.2
217.04900	0.8
219.01901	0.8
219.10081	1.2
226.08769	0.8
229.05022	1.1
235.05984	3.3
247.06033	2.5
275.09152	8.0
287.09207	4.0
299.09232	4.1
317.10159	5.4
341.10422	4.8
353.10199	5.9
365.10291	2.2
383.11292	1.4
401.12848	1.0
437.13321	1.0
437.21783	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	437.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01867	2.0
55.05515	1.9
56.96560	1.1
63.81531	1.1
67.05499	10.6
68.99792	3.2
69.03432	2.0
69.07071	9.4
70.06610	1.2
70.24385	2.4
70.24746	2.2
71.04998	1.2
79.05502	7.2
81.07058	7.5
83.01353	5.7
83.08627	1.6
85.05389	1.0
91.05479	6.5
93.07066	5.1
95.04979	1.1
95.08608	2.8
96.82019	1.0
97.06522	1.5
97.10214	1.3
103.05450	3.0
105.07037	7.1
107.04959	2.0
107.08598	2.2
109.02905	1.4
109.06518	3.7
109.10137	3.3
111.08079	1.8
115.05449	1.2
117.07069	1.5
118.04178	3.6
119.04971	2.6
119.08568	2.6
121.06516	11.7
121.10173	1.9
123.08097	2.7
123.11643	1.4
131.08554	1.5
133.06496	29.4
135.04404	1.8
135.08009	5.2
135.11734	1.5
137.02318	1.9
137.05994	2.1
139.07526	2.1
142.07828	1.1
145.10204	1.4
147.08060	1.4
147.11751	1.2
149.06003	3.0
151.07533	3.4
161.05992	94.2
163.03905	1.4
163.11162	1.8
165.01825	1.7
165.09152	2.9
166.02760	1.2
169.01341	1.7
171.11723	1.2
179.03474	1.6
179.07111	1.3
181.01306	14.3
183.02905	1.6
189.05516	6.4
189.12737	2.0
191.03314	2.3
193.01367	8.0
193.04971	3.8
199.02377	13.3
199.11003	1.1
205.04999	1.6
207.06487	6.0
217.04944	6.7
217.12306	1.5
218.14168	1.1
219.02933	3.2
219.06560	1.4
221.04562	1.7
229.05081	1.0
230.00870	1.4
235.06023	100.0
236.06412	2.5
237.04021	3.3
247.03362	1.5
249.07817	1.8
252.06412	1.9
253.07024	5.7
256.08066	1.2
261.07501	1.8
279.09201	1.1
285.11285	12.8
303.12369	7.0
315.08621	9.8
318.96271	1.4
321.13110	2.5
327.12289	3.8
332.87250	1.3
369.13397	20.0
419.18637	2.0
437.19290	7.6
437.25427	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	436.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.05268	1.7
55.05512	20.9
56.05027	1.1
58.99585	3.2
61.01170	0.9
65.03929	1.0
67.05515	1.3
69.03432	40.2
69.19226	8.8
70.06605	1.1
76.02232	3.1
78.03428	1.3
81.03414	1.2
81.07066	1.6
83.04962	1.5
83.06092	1.9
83.08621	24.6
84.04510	13.7
85.01056	1.1
85.02882	2.2
86.06071	8.0
86.99056	2.2
87.04504	1.1
98.21608	1.5
99.08092	4.5
104.07118	3.1
106.02907	2.7
107.08601	1.4
107.56793	0.8
109.02914	1.0
109.10180	1.2
111.04448	0.8
116.01693	3.4
119.08572	0.9
124.03964	6.3
129.06593	3.5
130.04990	2.7
133.10162	1.1
140.07074	1.6
140.08862	0.9
141.07277	1.2
142.03239	1.6
144.04799	1.6
151.03920	27.3
151.05034	1.8
155.08159	0.9
158.08105	2.5
158.19702	0.9
159.08398	21.4
172.04282	100.0
174.03694	0.9
176.11116	1.2
181.06023	1.1
187.05396	1.0
190.05336	55.8
193.15863	3.9
250.07146	1.0
268.08105	1.6
272.13214	2.9
274.11572	2.1
289.13922	5.2
290.14215	47.4
291.14627	1.0
307.16849	22.2
307.20297	1.4
315.13583	1.3
333.14825	10.2
373.17932	0.9
418.19931	2.2
436.21368	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	21.5
56.05011	1.2
56.96566	0.9
57.03444	0.8
58.06608	1.4
58.99310	1.1
58.99586	3.6
65.28829	0.8
69.03430	39.2
69.37939	4.2
69.38372	2.8
70.59587	0.9
74.68725	0.9
76.02240	3.2
76.29167	0.9
79.05515	0.8
81.07046	1.2
83.06105	1.2
83.08144	1.7
83.08619	25.9
84.04042	1.2
84.04504	13.2
85.02895	1.3
86.06069	7.2
86.99042	2.0
88.02264	1.1
98.97616	1.1
99.02636	1.4
104.07091	2.4
107.08568	1.0
109.02816	1.1
116.01685	4.2
129.06595	2.6
129.07420	1.3
129.74236	0.8
130.05008	2.2
142.03258	2.3
144.04749	1.9
158.08081	1.6
159.08386	26.8
165.01848	1.4
172.04272	100.0
173.09087	0.9
176.11040	3.2
190.05324	51.7
195.02914	3.0
196.03319	1.7
231.02988	0.9
272.13333	1.5
274.10800	1.2
287.14395	1.1
289.13812	4.6
290.14200	50.2
291.14618	1.0
307.13339	1.5
307.16855	29.4
333.14804	6.9
352.09082	0.9
418.19946	1.6
436.21237	2.7
437.08966	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12564	4.9
53.06966	5.5
54.79513	5.3
55.01858	7.4
55.05522	45.4
57.03458	8.3
57.06830	6.4
57.07084	89.9
65.40256	4.6
67.05514	55.6
68.99805	6.7
69.03413	14.8
69.06731	7.7
69.07075	100.0
71.08289	6.2
71.08640	63.7
71.55817	7.1
79.05486	15.9
81.07064	72.6
83.08626	73.0
85.02935	29.4
85.10185	33.0
89.05990	8.3
91.05476	22.2
93.07058	28.7
95.04990	29.7
95.08618	82.9
97.02903	14.0
97.06535	5.0
97.10190	59.5
105.07062	33.0
107.04964	10.3
107.08598	16.9
109.06476	13.1
109.10154	56.6
110.18204	5.0
111.04437	24.2
111.11735	26.1
113.00037	40.7
113.02377	87.0
117.07052	6.6
119.08582	25.1
121.06477	7.1
121.10126	14.9
123.04459	50.0
123.08060	6.5
123.11709	21.7
125.05985	20.9
125.13306	6.9
129.06996	7.6
131.08582	12.5
133.10139	9.4
135.08078	8.6
135.11661	9.5
137.05974	12.0
137.09599	6.2
139.03888	15.1
143.08566	13.1
145.10097	14.6
147.08060	19.3
147.11752	28.7
149.09668	7.9
149.13307	7.4
151.03885	32.7
153.05463	15.4
157.04930	10.5
157.10133	20.0
159.08150	6.7
159.11726	16.9
161.09592	15.2
163.07524	11.0
169.02635	46.1
169.04936	5.4
173.13319	7.2
175.11165	27.7
177.12695	8.9
189.09135	12.5
191.10666	8.6
193.03157	5.7
203.10756	35.8
207.10112	5.8
221.11685	10.5
369.71786	5.1
371.32999	12.3
399.32492	20.1
417.33832	44.7
435.34976	6.3
450.92166	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	436.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.0
55.01875	25.4
56.96559	19.1
57.03434	19.1
58.99597	6.7
61.02924	9.9
68.99802	6.4
69.03430	51.5
69.98524	7.4
69.98929	16.9
70.06605	5.2
71.04993	5.0
73.02901	15.0
74.00669	6.2
74.96896	3.8
75.49682	3.9
76.02234	34.5
79.05513	10.4
79.58759	4.1
81.03431	23.8
83.09258	4.4
84.04517	22.0
84.96030	16.1
85.02433	7.0
85.02911	100.0
87.00829	35.7
87.04477	10.0
90.05553	26.7
97.02294	5.4
97.02904	70.3
97.06544	55.5
98.97578	9.7
99.04459	13.8
99.05543	10.1
103.03964	5.7
104.01679	4.3
105.01860	25.5
107.04973	6.9
108.04447	10.2
109.02901	29.6
111.04438	10.8
115.03932	23.5
116.01675	13.2
117.01779	4.1
119.04940	4.7
120.08088	4.2
124.01442	3.8
125.08205	3.9
126.05503	15.4
127.03932	55.7
127.05009	8.8
129.01912	7.5
130.05016	8.3
133.04985	18.0
135.96977	4.4
137.02312	6.2
139.03932	48.1
139.34987	4.0
141.06569	8.7
142.37804	4.5
144.06598	10.7
145.04968	32.4
147.04398	17.3
155.03380	11.8
158.02725	52.0
158.99718	5.3
159.02876	18.8
159.07703	13.3
163.03899	16.3
171.06534	63.0
175.05396	8.3
176.03787	18.1
177.05478	7.8
178.03708	5.1
191.04868	32.9
193.06454	96.7
195.06541	23.8
211.06001	4.9
213.07594	15.8
231.05032	12.3
233.05972	12.2
237.07610	10.4
239.02379	22.4
248.07753	5.5
251.09312	5.1
257.03317	13.3
261.07556	10.3
263.02499	4.6
279.08618	15.3
281.03339	8.9
289.12192	7.4
302.08292	6.7
305.03287	5.3
320.09131	6.0
322.10666	15.7
395.02789	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	435.3472
Annotation	5beta-cholestan-7alpha,12alpha,24-triol-3-one
Peak:m/z	Relative Intensity
53.03927	5.9
55.01846	8.4
55.05515	25.7
57.07076	75.5
67.05504	41.3
69.06720	8.2
69.07067	80.3
70.21851	13.0
70.22242	12.6
71.08629	54.4
79.05484	27.0
81.07056	98.9
83.04945	6.3
83.08629	47.7
85.02425	9.5
85.02905	100.0
85.10163	30.3
89.06017	12.9
91.05477	18.2
93.07024	35.4
95.04991	7.0
95.08602	79.1
97.02882	16.1
97.10180	34.7
99.04458	21.4
99.11718	6.6
105.07045	34.4
107.08615	28.0
109.06508	15.9
109.10146	54.1
111.04453	34.9
111.11724	22.1
112.99987	6.4
113.06020	8.3
119.08557	20.8
121.06514	7.5
121.10157	21.8
123.04408	7.2
123.08065	19.1
123.11691	27.3
125.13304	6.4
127.03905	7.6
131.08638	6.5
133.10115	23.6
135.04381	8.0
135.08038	7.5
135.11684	14.3
137.02321	13.7
137.05937	18.0
137.09613	7.9
137.13242	7.4
139.03879	8.8
145.10120	11.8
147.08078	7.3
147.11719	12.1
149.05896	8.0
149.09633	13.0
149.13326	11.1
149.18362	5.2
151.03926	6.0
151.07573	12.9
151.14841	11.7
155.03371	7.0
160.55650	6.1
161.09602	11.1
161.13245	7.7
163.05153	5.2
163.07552	23.2
163.11186	6.1
165.09126	11.2
167.07050	7.8
169.02690	7.6
169.13356	7.8
171.71523	6.0
175.11082	7.0
175.14856	7.3
177.09148	5.5
179.10791	6.3
179.17986	7.0
184.06490	5.5
191.10663	6.4
193.08549	6.6
199.28244	6.5
203.10837	8.2
233.15483	6.1
301.28745	9.5
305.32022	13.1
331.30054	12.5
359.29553	7.6
371.32941	9.1
375.32629	8.7
389.34119	62.2
399.32437	27.4
417.33618	98.9
435.34763	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	435.1294
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
67.01866	1.5
69.03429	1.0
69.23930	2.9
69.24348	2.4
85.02894	1.8
91.05500	3.9
95.04952	1.4
97.02921	0.8
107.04967	1.6
118.08716	0.5
119.04955	9.9
121.02884	1.8
123.04418	3.0
123.12283	0.6
137.02351	0.8
147.04420	32.8
153.01840	68.4
165.01883	0.8
171.02942	1.3
171.84808	0.6
189.05402	0.8
195.02742	0.8
197.60094	0.6
261.04013	0.7
271.06039	1.7
272.06409	1.0
273.07596	100.0
274.07864	1.7
285.07001	0.7
290.67905	0.5
342.46982	0.6
435.06818	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43848	2.2
56.96574	1.9
57.07082	9.9
58.99867	8.1
59.71040	2.2
69.97508	7.7
70.99857	8.3
76.36438	1.8
77.00910	6.7
84.04456	1.8
85.02901	2.9
85.06551	6.6
86.99314	3.2
89.00928	4.9
97.06538	3.1
101.00887	21.4
103.02436	5.9
105.00416	2.8
105.07021	2.8
110.65858	1.9
113.06488	1.9
117.00356	3.2
119.01939	33.4
127.03909	16.8
129.00352	2.0
129.04002	2.9
131.01901	4.0
135.01358	12.0
143.01889	13.2
143.05527	5.5
145.07092	14.6
147.01382	7.9
153.02454	9.2
157.07101	4.3
159.01385	2.4
161.02965	9.0
161.06697	4.9
163.08157	29.9
167.05531	2.5
173.06587	4.5
175.00925	2.9
175.08163	29.7
177.02451	4.7
179.07727	3.1
185.06619	12.5
187.08231	4.5
189.06125	19.7
191.04877	2.2
193.01976	5.7
193.06451	4.3
193.09253	7.8
199.08202	11.8
201.06020	4.9
203.07661	100.0
204.07791	3.1
205.09258	2.7
207.07167	15.7
215.07735	1.9
217.09196	7.0
219.07242	3.5
221.08730	29.7
227.07669	11.5
229.05620	9.2
231.07133	14.9
233.08659	4.4
243.07166	19.8
245.08797	20.1
247.06650	58.0
248.06981	3.1
255.14549	3.9
256.78745	2.3
256.81641	2.5
259.13983	6.4
261.08240	24.5
271.13806	2.7
283.13843	4.2
287.06085	6.5
287.13480	4.1
289.07745	5.8
297.11771	6.7
301.11383	5.1
301.14948	8.3
305.07071	9.1
311.13336	11.7
315.12830	18.9
329.14441	9.6
355.12338	4.0
359.11774	6.1
373.13367	9.6
400.01617	2.0
417.12091	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	435.1079
Annotation	Sinaticin
Peak:m/z	Relative Intensity
54.66235	0.5
55.05507	1.5
56.96560	0.5
67.05512	2.8
69.07059	1.3
70.12583	1.9
71.04982	0.9
71.63760	0.5
79.05502	2.2
81.03415	1.2
81.07072	3.1
82.17390	0.4
83.08630	0.6
91.05496	2.4
93.07051	2.8
94.99778	0.4
95.04970	2.2
95.08604	1.7
98.21429	0.6
103.05479	1.3
105.07018	1.5
107.04946	1.4
107.08582	1.6
109.06502	0.6
109.10197	0.8
117.07009	1.3
119.08592	1.4
121.06509	1.5
121.10139	1.0
123.08045	0.6
123.11680	0.7
125.05964	0.5
125.31961	0.5
129.07050	0.6
131.04953	4.0
132.05707	0.6
133.10156	1.0
135.04454	0.6
135.11711	0.8
137.09624	0.6
145.10165	0.8
147.11652	0.7
153.01843	4.3
155.25317	0.5
157.10115	0.8
165.01921	0.4
171.11679	0.5
189.08765	0.5
203.03369	5.9
229.04991	7.1
230.05576	0.5
241.04863	0.6
242.05762	5.6
253.05003	8.4
255.06581	1.9
257.04465	55.4
258.05249	20.3
259.05951	0.6
269.04462	1.8
270.05396	0.5
271.05878	0.8
283.06064	2.0
285.04013	4.1
286.04733	29.6
287.05481	14.7
343.22607	2.1
361.23727	0.5
389.10156	0.7
405.09695	6.8
417.09714	21.3
417.26236	1.5
435.10794	100.0
435.26691	2.3
436.10999	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	435.127
Annotation	3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone
Peak:m/z	Relative Intensity
53.03946	0.8
55.01888	0.6
55.05524	1.2
56.96568	0.9
67.05502	1.3
69.03429	1.5
69.07067	3.2
70.06580	0.6
71.15299	1.1
73.02922	0.5
79.05502	1.2
81.03410	1.1
81.07073	1.7
85.02906	2.1
91.05482	2.0
93.07036	1.3
95.04983	1.4
95.08618	1.4
97.02918	1.1
98.97578	1.7
105.07024	1.6
107.04950	2.0
107.08608	1.4
109.02888	0.6
109.10167	0.8
117.07060	0.5
119.01924	0.8
121.02844	0.6
121.06519	0.7
123.49264	0.6
127.00060	0.6
127.03916	0.5
131.04994	0.6
131.08609	0.6
133.06511	1.5
133.10162	0.8
135.11714	0.9
137.05986	0.7
147.04362	0.6
149.06009	0.6
153.01878	1.4
155.01930	0.9
167.07059	2.0
169.01398	0.7
179.03500	0.5
181.04971	3.6
182.15630	0.5
186.06538	1.4
187.07423	1.0
201.05562	0.6
227.05328	2.4
229.04930	1.6
233.08131	2.4
246.05693	0.5
259.06006	0.9
265.09381	0.7
271.04150	3.3
273.07733	0.9
273.10995	1.9
283.06049	0.6
285.07120	1.2
286.07666	1.0
313.06958	0.6
315.07675	1.6
323.09161	2.5
334.08908	1.1
339.07870	0.6
345.17545	1.0
349.12564	5.8
354.18167	0.8
373.12637	1.4
381.08994	0.6
391.13644	41.0
407.11444	3.8
417.10593	0.8
417.15668	1.0
417.25021	0.8
435.12622	100.0
436.12930	3.4
446.19293	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.9
55.05517	14.8
56.96558	6.3
57.03433	9.5
57.07070	6.1
57.86835	4.2
62.06055	4.3
67.05497	15.9
69.03425	14.9
69.07064	21.6
71.04987	21.0
71.31699	4.5
71.32047	10.4
79.05486	14.7
81.03418	10.8
81.07072	43.4
83.04988	5.2
83.08640	9.3
85.02899	22.3
91.05486	22.1
93.07051	27.9
95.04981	9.7
95.08625	37.4
97.02885	7.8
97.06538	10.5
98.97584	22.2
99.08124	6.2
105.07030	34.2
107.08565	28.6
109.06541	6.8
109.10161	19.1
111.08038	6.2
119.04937	5.1
119.08572	14.2
121.02864	10.3
121.06490	9.7
121.10143	18.8
123.04445	4.5
123.11705	4.8
125.09660	11.4
127.07578	5.8
131.08537	11.0
133.02811	5.5
133.10133	53.2
135.11717	11.7
137.05956	6.8
139.03891	5.6
143.10684	20.9
145.10115	20.8
147.11707	13.7
149.09718	5.2
149.13306	20.6
154.83893	5.3
158.99648	8.3
159.11717	14.1
161.13342	8.3
167.14331	27.7
175.03828	5.4
177.00696	8.2
177.05745	6.3
177.12799	4.7
181.04939	6.3
186.41705	4.9
201.16487	13.0
219.17455	43.0
237.14818	7.5
237.18497	9.6
256.07101	5.4
264.14813	4.9
271.05957	9.6
271.08517	6.0
272.06396	12.4
272.11163	16.1
272.14334	5.2
283.05960	25.1
284.06448	74.8
285.07135	26.3
296.06381	9.6
298.07983	10.2
310.07803	8.5
313.01471	5.7
313.07001	20.2
314.07443	100.0
324.09387	26.0
326.07306	6.8
329.01260	8.9
338.07315	25.1
345.04166	6.9
345.17490	12.2
350.07288	5.7
368.08527	15.3
380.08304	17.0
383.08746	5.7
398.09503	42.4
416.10593	48.5
434.11792	46.6
434.20294	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	434.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53648	2.0
55.01874	2.8
56.05032	5.0
57.03444	26.8
58.99576	3.4
59.05003	2.2
61.02922	9.3
67.92554	2.7
69.03435	90.2
69.24991	3.8
69.25397	18.3
70.02962	2.3
71.05000	3.4
73.02923	26.1
73.10595	2.5
76.02217	8.5
77.77451	2.1
79.05476	4.7
79.62811	2.2
81.03421	4.9
81.07067	12.7
84.04511	12.6
85.02911	100.0
86.06065	7.3
87.04469	42.8
91.03963	5.2
97.02292	4.1
97.02902	68.7
98.09693	10.6
98.20640	3.0
99.04477	2.4
104.07092	3.0
105.07056	11.8
106.55609	2.6
109.02891	7.9
113.04232	5.3
115.03936	83.3
115.05732	4.7
122.09641	2.9
125.62160	2.4
127.03928	20.4
129.06612	3.4
130.05042	3.2
130.08682	2.5
133.04025	4.2
133.04979	75.8
140.07053	8.8
145.04982	42.9
150.07635	9.7
156.08411	16.8
157.06819	7.0
163.06030	16.8
171.81374	2.9
172.04288	28.6
174.09499	8.2
184.13388	5.8
187.05392	2.6
201.09183	4.1
207.07996	5.2
223.06041	3.1
241.07022	4.7
244.09897	3.0
259.08145	5.1
269.13239	6.3
285.13324	5.6
287.14261	97.2
295.10373	5.0
331.13055	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	434.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	10.9
55.01863	8.6
57.03435	8.9
61.02934	6.4
67.05515	7.9
69.03432	41.4
69.07068	73.9
69.61403	18.2
69.61812	9.4
71.04989	7.4
73.02931	7.8
81.03422	47.7
81.07069	11.2
85.02907	100.0
87.00835	50.9
91.05549	4.9
97.02898	79.2
98.20694	8.8
99.04465	20.1
105.01868	45.2
107.08628	7.0
109.02878	45.0
109.10194	8.9
117.01846	7.9
119.65394	4.8
123.11713	33.5
127.03915	80.5
129.01871	7.0
135.11679	4.6
142.58882	4.3
145.04968	38.7
147.02979	7.2
151.11180	50.8
159.02899	19.4
223.33734	6.0
231.05048	11.5
284.06467	14.9
313.07159	4.7
314.07425	9.8
383.33197	5.3
398.09769	6.1
399.16580	14.4
416.10434	8.8
434.11984	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	434.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.1
56.50143	0.7
57.03429	0.6
57.07072	2.9
59.20910	0.6
67.05492	1.6
69.03413	0.9
69.80740	2.1
69.81129	1.3
81.03425	0.9
81.07052	0.9
85.02909	1.8
85.06571	0.7
91.05471	2.1
91.86924	0.6
95.04958	0.8
95.08636	0.8
97.02893	1.1
99.60445	0.8
121.02904	0.8
125.02375	7.2
139.03923	8.9
155.19093	0.7
161.38770	0.7
185.77391	0.8
191.10718	0.7
195.10187	100.0
196.10504	1.6
202.82779	0.6
205.67892	0.7
209.11765	1.2
212.46198	0.7
237.11238	44.5
238.11557	0.8
240.10970	0.7
255.12305	17.6
283.05814	1.2
284.06464	3.4
310.07785	1.0
313.06702	1.0
314.07343	3.1
392.90320	0.8
398.09506	1.0
416.10510	1.5
434.11542	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	434.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.1
55.05514	1.4
55.27594	0.7
56.05047	4.2
57.03422	2.8
58.06595	0.9
58.99572	3.2
61.02907	0.9
67.05532	0.9
68.05031	1.4
69.03078	1.4
69.03434	21.8
69.07055	1.4
70.52122	2.2
70.52484	1.6
73.01128	1.1
73.02935	1.5
76.01906	0.8
76.02238	10.3
79.05476	2.8
80.05029	0.8
81.07067	11.6
82.06575	1.0
83.01262	0.9
83.06071	1.4
84.04515	11.8
85.01138	2.1
85.02893	3.8
86.00639	3.7
86.06075	6.0
86.99039	3.3
87.02689	3.8
87.04502	1.2
88.02210	1.2
93.07043	1.3
94.06554	1.4
95.08596	3.0
97.01115	1.1
97.02882	1.8
97.06550	1.7
97.31026	1.0
97.31722	0.8
98.09704	12.3
99.08096	2.5
100.02237	1.1
104.07095	3.6
105.07026	3.7
110.09703	2.2
113.04257	5.1
114.03709	1.1
115.03931	1.8
115.05837	1.2
116.01682	1.2
122.09676	1.9
127.05831	1.6
129.06593	2.5
130.05000	3.1
130.06883	2.9
130.08627	2.0
139.05798	1.7
140.07051	7.4
144.04855	1.4
145.04987	1.8
155.08142	1.3
156.08423	15.7
157.06793	6.3
158.08052	1.9
163.06032	1.3
166.12267	1.0
167.07112	1.1
172.04292	25.2
174.09488	7.9
184.13293	4.4
187.05411	1.4
189.06973	3.2
190.05310	5.1
195.02942	1.3
199.05363	1.2
207.08052	6.4
210.11238	2.4
213.10643	1.0
215.04916	1.1
233.05762	0.9
244.09976	2.8
269.13263	4.3
273.08984	1.2
283.06049	2.0
284.06470	3.0
285.12747	2.1
287.14264	100.0
288.14801	1.5
310.07681	1.4
313.07217	1.0
313.12210	3.4
314.07376	3.5
331.13272	3.3
368.08459	1.1
398.09741	1.2
434.19644	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	434.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.9
55.05509	1.3
56.05039	6.9
57.03426	2.2
57.45146	0.7
58.99590	6.8
68.05029	0.9
69.03432	8.9
69.07073	1.0
70.02964	1.3
71.08891	1.5
74.00637	1.0
76.02238	11.0
79.05489	2.7
79.89288	0.8
80.04994	1.8
81.07066	10.2
83.06087	0.9
84.04516	9.7
85.01127	3.8
85.02914	2.3
86.00655	3.0
86.06074	36.0
86.99059	3.4
87.02683	3.5
87.04481	4.8
88.02239	1.0
94.06556	1.1
95.08594	2.0
96.08121	1.3
97.01048	1.1
97.06567	1.2
98.06064	1.2
98.09701	15.8
99.08112	2.5
104.07117	6.1
104.56482	0.8
105.07039	1.3
109.73465	0.9
110.09720	1.0
112.07637	2.0
113.04233	4.7
115.05795	1.7
122.09666	2.9
129.06535	2.1
130.04997	2.9
130.06902	1.7
130.08646	1.8
139.05777	0.8
140.07088	6.6
142.03241	1.6
145.04909	0.8
150.09193	0.8
155.08112	1.5
156.08432	15.6
157.06833	4.8
158.08144	1.8
158.11748	1.1
166.12218	0.9
172.04305	21.9
174.09502	6.8
184.07883	1.3
184.13304	6.6
186.08459	1.1
187.05371	0.9
189.06976	1.8
190.05362	3.3
207.07986	6.6
210.11325	1.6
215.04901	1.0
226.08995	1.3
244.10034	2.3
269.13162	3.0
270.41620	0.8
285.12646	1.7
287.14258	100.0
288.02005	0.8
288.14819	1.1
313.12131	2.1
322.07919	1.0
331.13257	3.2
416.18500	1.8
434.09546	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02404	1.4
53.03942	4.9
53.06999	1.3
55.01873	11.4
55.05272	2.5
55.05512	35.3
57.03442	8.6
59.04988	1.5
59.10677	1.2
61.01127	1.5
64.83107	1.4
65.03929	2.7
67.05506	39.1
69.03420	4.4
69.07071	12.7
69.33861	10.9
71.04987	3.3
73.58744	1.3
79.05492	47.0
81.03401	7.1
81.07055	31.8
81.49449	1.4
83.04973	5.9
83.08620	15.7
85.06536	2.3
91.05481	38.2
93.07043	34.4
95.04974	31.9
95.08607	16.1
97.06526	5.8
97.10172	19.4
103.05469	2.8
105.03378	1.6
105.04489	1.6
105.07028	29.8
105.07686	2.2
107.04952	16.0
107.08588	21.8
109.02861	1.3
109.06544	7.1
109.10152	9.1
111.08070	3.4
115.05459	5.7
117.07020	17.6
119.04943	3.3
119.08575	14.4
121.02819	2.1
121.06529	14.6
121.10136	14.8
123.08082	5.9
125.09619	16.4
128.06223	5.6
129.05492	2.7
129.07002	26.4
131.04887	11.9
131.08574	26.9
133.06505	9.6
133.10129	6.4
135.04408	1.7
135.08070	9.6
135.11697	2.8
141.06995	9.3
142.07764	4.6
143.08572	13.6
145.06479	23.8
145.10121	12.5
147.08058	9.7
147.11687	2.7
149.09613	23.3
153.07014	2.4
153.09105	3.1
154.07776	2.4
155.08582	10.6
157.06491	3.4
157.10109	4.2
159.08034	7.2
159.11705	9.3
161.06000	1.8
161.09633	5.8
161.13261	2.8
163.11165	5.8
165.07050	2.5
166.04648	1.4
167.08571	4.8
169.06566	1.8
169.10135	12.5
171.08057	5.9
171.10258	3.2
171.11711	17.1
173.09596	7.6
173.13213	2.3
175.11247	2.4
177.12750	2.0
179.08513	1.8
181.10214	2.9
183.08046	3.0
183.11716	5.6
185.09630	5.5
185.13271	4.5
187.11186	10.0
189.09286	3.2
189.11215	9.5
189.12793	13.1
191.10564	2.4
193.12234	2.4
195.11749	4.4
197.09601	4.1
197.13324	3.8
199.11264	4.5
199.14986	1.5
201.12759	2.9
203.10692	1.9
205.12256	6.2
207.11656	2.4
211.11250	6.9
213.12700	3.8
215.10640	3.8
215.14398	1.9
221.13409	2.4
223.13310	5.6
225.12706	3.4
227.12808	6.3
229.12146	6.6
231.13788	3.1
243.13809	5.9
247.13303	1.9
249.14842	1.7
257.15475	3.0
267.15924	3.3
273.14880	2.5
283.06027	5.6
284.06693	2.3
295.20535	3.8
297.07422	1.7
305.19019	3.1
313.07138	5.9
313.21487	6.6
321.17072	2.1
323.20050	26.4
337.07132	1.6
341.21112	100.0
342.21478	2.7
353.93649	1.6
355.09976	1.5
359.22168	8.8
367.07950	2.7
379.23151	2.2
389.23160	1.4
397.23535	2.2
415.10400	1.6
415.24835	36.2
433.25891	69.2
434.26208	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20900	0.9
53.03935	4.9
55.01870	9.7
55.05512	33.7
56.96544	1.9
57.03438	8.6
59.04984	1.3
65.03928	4.0
67.05505	35.4
69.03422	5.1
69.07069	11.9
70.93789	1.4
70.94116	1.7
71.04990	3.8
77.03928	2.1
79.05495	49.5
81.03415	10.1
81.06580	2.5
81.07055	40.0
83.04977	7.3
83.08619	16.6
83.67136	1.4
85.02893	3.1
85.06568	2.7
91.05482	42.0
93.03407	1.1
93.06472	2.3
93.07043	35.5
95.04969	31.6
95.08606	18.5
97.02885	1.5
97.06550	5.4
97.10172	24.5
98.10423	1.0
99.08076	1.9
103.05439	3.3
105.03341	1.2
105.07036	29.0
107.04956	16.2
107.08591	21.5
109.02870	2.5
109.06551	5.8
109.10161	11.5
111.04450	1.1
111.08060	3.9
113.05894	1.1
115.05454	5.2
116.06234	1.7
117.07021	20.3
119.04952	5.1
119.08573	15.1
121.02847	4.3
121.06503	17.3
121.10148	16.3
123.04467	1.5
123.08064	5.4
123.11736	2.6
125.09625	16.0
128.06201	6.6
129.05479	3.0
129.07001	26.4
130.07738	1.3
131.04938	13.2
131.08571	28.8
133.06502	9.9
133.10130	10.9
135.04454	2.5
135.08028	9.6
135.11682	3.9
137.05980	3.3
137.09584	2.7
141.07005	12.5
142.07817	1.5
143.08565	17.5
145.05386	2.2
145.06488	25.7
145.10129	11.7
147.04439	1.5
147.08064	9.0
147.11673	5.4
149.09633	23.1
151.07542	2.6
153.07001	4.3
153.09134	1.9
154.07732	3.3
155.08569	10.3
156.09367	1.4
157.06505	3.7
157.10103	8.3
158.07202	1.3
159.08075	8.9
159.11719	8.0
161.09645	5.6
161.13252	5.3
163.11176	6.2
165.01814	2.3
165.06992	2.4
165.09129	1.4
167.08591	4.4
168.09349	1.6
169.10130	11.1
171.08058	3.6
171.10252	2.4
171.11678	20.9
173.09644	7.6
173.13225	2.4
175.11232	4.2
177.09099	1.8
177.12741	1.2
178.40073	1.3
179.08525	2.4
181.10101	4.6
183.08110	2.0
183.11687	7.5
185.09637	4.9
185.13290	4.9
187.11163	8.5
187.14957	1.4
189.09137	3.4
189.11200	9.3
189.12782	13.2
193.10268	1.7
193.12276	3.1
195.08006	1.2
195.11678	2.8
197.09601	4.2
197.13228	3.6
199.11234	4.3
201.12814	2.7
203.10678	2.8
203.14493	1.6
205.12236	6.1
207.11891	1.5
207.13806	1.1
209.13327	2.5
211.11214	5.9
212.11899	1.8
213.12804	3.3
215.10713	3.5
215.14310	1.7
217.12212	1.6
220.61430	1.2
221.11530	1.6
223.13206	6.0
225.12752	3.2
227.12788	3.6
229.12247	4.5
231.13701	1.3
237.12881	1.7
239.14268	2.0
243.13844	4.9
247.13322	1.1
249.14857	2.4
255.06493	1.9
256.07495	1.4
257.15381	4.4
261.14908	2.7
267.15952	3.1
271.06055	4.5
273.14975	2.3
279.15729	1.3
281.08121	1.4
283.05997	21.3
284.06784	7.6
295.06079	3.7
295.20572	3.5
297.07657	2.8
305.18942	3.1
309.07846	3.4
313.07095	28.8
313.21622	7.4
321.16873	1.2
323.09177	4.3
323.20071	22.8
325.07178	1.4
331.22815	1.3
335.18881	2.1
336.96750	1.2
337.07156	7.2
341.21103	100.0
342.21442	2.3
349.06952	2.1
349.20230	1.2
351.08633	1.4
359.22144	9.1
367.08197	4.4
379.08112	3.6
397.09235	6.6
397.23495	1.9
415.10147	9.0
415.24777	37.1
433.11432	11.2
433.25879	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2356
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03956	3.7
55.05518	12.4
57.03436	10.4
57.07066	2.7
59.62819	2.1
60.51344	2.1
64.59602	2.2
65.03953	3.9
67.05509	66.8
69.07084	11.9
70.71522	4.6
70.71900	3.7
79.05497	35.0
81.03439	3.1
81.07070	62.8
81.42744	2.0
83.08630	7.2
91.05486	24.0
93.07059	47.7
93.57658	2.2
95.08051	4.3
95.08617	50.1
97.06535	3.4
98.98477	91.9
105.07032	13.8
107.08608	33.0
109.10168	25.1
117.07026	5.9
119.08586	14.6
121.10163	20.4
123.11721	10.9
131.08572	15.5
133.10138	9.5
135.11723	19.4
145.10159	12.7
147.11693	7.5
149.13264	16.5
155.01086	7.8
159.11751	8.3
161.13280	7.3
163.14845	9.8
173.02118	15.4
173.13306	8.2
175.14853	6.3
177.16475	2.6
187.14862	3.2
233.22641	3.7
243.21071	16.2
252.84857	2.2
261.22165	47.9
279.23343	2.3
283.06067	11.3
297.07666	2.7
313.07260	10.5
317.24753	8.4
335.25861	100.0
335.29947	5.3
336.26068	5.4
344.88129	2.3
415.10468	3.4
433.11374	5.2
433.20071	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	433.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80505	1.9
55.05506	3.5
57.03438	3.9
67.05491	8.0
69.03426	6.3
69.07055	4.9
69.72360	5.6
69.72768	6.6
71.04997	2.3
76.93661	2.4
79.01848	2.4
79.05503	7.1
79.26838	2.2
81.07060	12.5
83.04967	2.1
83.08633	2.7
85.02897	7.6
85.06540	2.9
86.63549	1.9
91.05479	8.3
93.07037	9.0
95.04960	4.5
95.08600	7.9
98.97572	2.5
105.07044	7.8
107.08577	10.1
109.02853	3.8
109.10126	8.8
111.08052	5.0
119.04987	2.7
119.08567	9.8
121.02892	19.4
121.10165	5.5
123.08064	2.5
125.09597	4.2
127.03925	2.8
131.08598	5.0
133.10136	4.4
135.11703	4.0
139.03894	7.2
145.02895	7.2
145.10123	6.0
147.11699	6.5
149.02405	2.4
151.07454	2.1
153.01978	3.0
153.12790	3.3
154.84132	2.3
157.10121	4.4
163.03909	9.2
165.01860	7.9
167.03310	2.4
173.09709	2.4
183.02885	3.3
187.03897	2.5
189.16342	2.8
191.03346	2.0
213.05380	5.2
215.03474	2.2
217.04984	4.3
217.15892	6.4
235.16792	6.0
241.08569	4.8
243.02979	2.9
253.18031	4.8
255.06342	4.7
256.07370	10.7
261.03973	4.3
267.06549	9.5
270.04974	2.9
271.06027	25.8
281.08044	4.4
283.06036	99.5
284.06775	33.5
285.07446	4.0
286.04550	4.7
295.06033	18.9
297.07584	19.5
301.07080	6.8
305.08197	3.3
308.06653	3.0
309.07480	12.3
311.05490	2.2
313.07071	100.0
314.07385	3.7
323.09167	20.5
325.06985	5.3
337.07104	26.3
343.07883	5.0
349.06964	5.7
351.08603	7.1
355.08194	3.3
361.07040	3.0
367.08090	21.8
379.08160	17.8
383.11084	3.5
385.91687	2.2
397.09198	37.4
415.10126	43.3
433.11322	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	433.1349
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
52.59409	0.3
53.03943	1.3
55.01862	0.4
57.03440	0.5
58.48397	0.3
65.03937	0.4
67.01871	0.4
69.03442	2.3
69.68227	2.2
73.02898	0.3
79.05479	0.6
81.03434	3.1
85.02920	6.1
85.69279	0.3
86.09717	1.2
91.05489	0.5
95.04986	0.4
96.90254	0.3
97.02921	4.1
99.04455	4.3
99.57983	0.3
103.03954	4.5
107.04964	0.9
107.55708	0.3
109.02890	3.3
119.14439	0.3
121.02920	0.6
123.04438	0.4
126.38503	0.4
127.03932	100.0
129.07059	0.4
137.02299	0.8
145.04980	3.1
161.06046	0.4
163.06033	0.3
167.07083	1.1
169.04919	0.3
170.49773	0.4
181.04984	5.0
187.06010	0.9
193.08733	0.5
213.08948	0.3
221.07993	1.6
249.07538	0.7
271.06015	9.7
271.08691	0.8
283.06042	1.4
284.06870	0.6
295.06006	0.5
297.07706	0.4
313.07123	1.4
397.09436	0.5
403.13773	3.3
415.10507	0.8
433.10825	0.9
433.16788	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	432.9939
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89018	3.1
69.54478	21.2
69.90917	3.6
70.06632	4.2
73.37634	3.8
94.92996	18.0
134.92421	4.2
136.94017	5.1
147.04419	6.8
150.91945	14.3
152.93536	10.6
162.95622	26.4
206.94553	6.5
210.93925	3.8
240.96680	67.3
250.93658	5.9
254.98180	6.9
268.94644	33.0
286.95569	3.5
308.99142	4.7
322.97296	7.4
370.99274	9.6
396.97202	7.1
414.98285	100.0
432.99255	8.1
453.27832	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1132
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
50.62349	0.2
57.65073	0.2
60.81557	0.2
67.01870	0.4
67.48795	0.2
68.99814	0.2
71.47044	0.3
86.02444	0.2
88.71613	0.2
91.05511	0.4
119.04927	1.8
121.02875	0.7
142.63086	0.2
145.02847	0.8
147.25314	0.2
153.01830	5.6
163.03929	0.5
171.02911	0.3
174.54918	0.2
215.07323	0.2
229.04897	0.4
243.06473	0.4
271.06012	100.0
272.06311	2.1
283.05984	1.8
284.06805	0.7
295.06027	0.2
297.07428	0.2
309.07571	0.2
313.07092	1.8
323.09229	0.3
337.07129	0.4
349.07126	0.2
351.08505	0.2
367.08151	0.4
379.08069	0.3
397.09149	0.6
415.10254	0.8
433.11353	1.2
435.70175	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.113
Annotation	Vitexin
Peak:m/z	Relative Intensity
63.54906	1.0
65.81937	1.1
68.99825	1.2
69.23434	8.7
69.23845	3.1
79.01836	3.2
81.03415	1.4
85.02914	1.4
91.05470	1.2
93.03399	1.3
109.02919	1.9
119.04963	4.3
121.02885	18.1
134.23970	1.1
138.03101	1.2
140.67267	1.0
145.02852	3.3
147.04500	1.1
147.62965	1.2
149.02354	2.2
163.03885	4.0
165.01843	11.2
166.29524	1.2
167.03458	1.6
177.01921	1.6
181.05070	1.3
183.02956	1.9
187.03941	2.2
187.73642	1.1
191.03409	1.9
211.07574	1.6
213.05522	3.6
217.05011	3.5
227.07133	1.3
239.06978	1.2
241.05058	1.6
243.02972	2.5
243.06598	1.2
255.06506	6.4
256.07327	7.6
259.06006	1.6
261.03897	1.6
267.06604	3.7
271.06152	4.3
279.06857	2.1
281.08115	3.4
283.06036	94.7
284.06802	32.3
285.07541	1.6
295.06061	16.6
297.07544	15.5
305.08270	1.4
307.06082	2.3
308.06903	3.2
309.07526	12.6
311.05478	2.2
313.07074	100.0
321.07843	1.4
323.05518	2.2
323.09171	19.9
325.07132	4.0
327.08899	2.6
333.07742	1.6
337.07089	31.4
343.08032	5.6
346.09277	1.0
349.07074	6.3
351.08679	6.5
355.08160	1.9
361.07187	5.2
367.08139	22.2
379.08151	17.0
397.09250	33.4
415.10287	37.0
433.11359	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1135
Annotation	Galanginin
Peak:m/z	Relative Intensity
55.01893	0.5
56.34940	0.5
56.96558	0.7
61.20727	0.5
67.05480	0.4
69.69398	1.8
69.69805	0.8
70.06596	0.9
84.08148	0.7
85.02901	1.0
86.09691	1.4
91.05457	0.9
95.04948	0.5
97.02876	0.6
98.97593	0.7
107.04976	1.1
107.08599	0.5
109.02877	0.8
115.30476	0.5
121.02879	3.3
137.02345	6.3
141.06923	0.8
152.06183	0.6
161.02342	0.9
163.03941	1.0
165.01863	1.1
169.06445	1.6
173.06065	0.5
177.01772	0.5
177.05534	0.7
181.04927	0.7
183.64876	0.6
187.07561	1.0
197.05998	3.6
200.04858	0.7
201.05450	3.7
213.05399	0.8
215.07069	4.9
217.05147	0.6
221.05051	0.6
225.05455	6.5
243.06636	1.2
253.04964	3.7
255.06522	1.2
256.07370	1.2
271.06030	100.0
272.06436	2.1
283.06024	13.3
284.06793	6.3
295.06036	3.6
297.07526	2.0
301.06390	0.6
309.07678	1.1
311.05579	0.9
313.07086	12.8
323.09232	2.7
325.06973	0.8
337.07156	4.3
343.08276	0.9
349.07150	1.0
351.08969	0.7
355.08429	0.8
367.08105	3.2
373.17081	1.6
379.08112	1.9
397.09238	5.2
415.10196	8.0
433.11267	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	432.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	16.2
60.04515	8.3
61.02932	3.7
63.80162	2.3
69.03431	29.4
70.06591	10.4
71.05003	3.8
72.08160	11.5
73.02922	27.7
74.46769	3.1
79.05496	2.9
81.03423	3.9
84.04475	3.0
84.08154	4.3
85.02912	41.4
86.09723	15.4
87.04465	8.6
88.03959	3.5
91.05496	4.1
92.04997	3.9
97.02905	28.0
98.97639	2.7
106.05030	6.1
106.06569	13.7
108.00564	3.1
109.02843	2.7
115.03941	17.3
117.07041	2.6
120.04485	100.0
121.02854	2.6
127.03915	16.6
129.10226	4.6
130.22160	2.9
132.04457	14.1
133.04967	10.1
134.06015	12.1
136.07536	4.5
138.05518	73.6
139.03926	3.5
145.02858	2.9
145.04988	6.9
147.04480	3.6
149.09573	5.8
159.04309	2.6
162.05528	11.4
164.07047	4.8
170.06065	2.7
180.06563	9.5
185.16487	5.3
198.05505	18.7
207.08279	3.5
207.10217	10.2
210.02306	3.1
216.06673	5.6
228.06557	4.5
234.07414	3.0
256.11734	3.9
264.08698	18.8
270.09924	5.9
271.05997	3.1
282.09677	5.0
300.10825	7.4
313.07077	5.3
351.81509	2.8
432.22720	12.7
458.48380	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	431.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.1
55.05506	5.7
57.07071	26.4
57.88012	2.1
67.05485	5.3
69.07072	9.8
70.93462	2.4
70.93792	4.5
71.08630	17.0
71.87405	2.5
76.23051	2.2
79.05501	3.1
80.94488	2.5
81.07057	10.0
83.08617	7.3
85.10185	10.8
87.09736	2.3
91.05463	2.9
91.21899	2.4
93.07043	5.5
95.08599	11.3
97.10195	3.5
107.08656	2.4
109.06517	5.0
109.10170	3.4
111.11646	3.5
115.19314	1.9
119.08573	2.6
121.06491	3.6
123.08060	4.2
123.11750	2.8
127.62160	2.3
135.08064	3.7
137.06027	15.4
139.07642	2.6
145.10054	2.7
147.08025	4.5
149.06006	6.9
151.06436	3.0
151.07570	36.4
159.08101	2.1
161.05975	5.5
161.09604	3.7
165.05515	12.1
165.09119	12.5
167.07040	100.0
169.27588	2.4
175.07581	4.8
175.11305	2.4
177.09065	5.4
179.10704	6.0
181.08582	5.2
189.09132	9.1
189.12860	2.6
191.10608	3.3
193.08578	12.0
203.10692	6.0
207.10202	14.5
208.64441	2.5
221.11760	5.7
226.56992	2.0
230.17587	2.3
235.13397	5.1
259.14478	2.5
308.06937	2.3
391.06577	2.1
398.63907	2.3
431.35110	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	431.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59567	1.8
55.05515	9.3
57.03431	1.7
57.07081	29.5
60.01046	1.5
67.01880	1.6
67.05507	5.5
67.64536	1.7
69.07078	9.3
71.08633	17.6
71.15010	1.6
71.15350	2.9
79.05511	2.3
81.07052	11.5
83.05004	2.7
83.08611	4.6
85.10175	8.5
85.98857	1.3
91.05474	3.3
93.07054	7.4
95.08601	10.6
97.10175	4.5
105.07050	3.3
107.08600	3.3
109.06512	3.6
109.10155	3.5
111.11739	2.6
119.08578	2.3
121.06512	3.1
123.08099	2.4
123.11731	2.1
131.08574	2.1
131.53979	1.8
135.08028	3.6
137.05975	17.7
138.06729	2.5
139.07565	5.8
145.10143	1.6
147.08037	5.2
149.05948	4.2
151.06432	2.8
151.07558	37.7
159.08069	3.2
161.05989	6.6
161.09657	3.9
165.05476	12.7
165.09142	14.2
166.06293	1.6
167.07053	100.0
175.07526	7.6
175.11301	1.6
177.09105	4.2
179.07033	6.3
179.10707	4.2
181.08588	4.5
189.09143	9.3
191.07155	2.1
191.10641	2.9
193.08656	12.0
203.10725	4.3
207.10216	14.0
217.12228	4.1
221.11786	6.8
235.13353	4.4
272.78683	1.7
385.34906	1.8
403.35739	2.8
413.34225	4.8
431.35162	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1829
Annotation	Avizafone
Peak:m/z	Relative Intensity
53.11514	0.5
53.18775	0.6
59.10650	0.5
59.47613	0.5
68.64283	0.5
81.86547	0.6
88.66875	0.5
107.04733	0.8
111.18429	0.6
139.54469	0.7
149.02348	0.5
167.03583	0.6
170.35896	0.7
184.60258	0.6
250.56194	0.6
265.54654	0.7
291.06223	5.0
311.12485	1.4
333.05151	1.2
347.12445	5.8
359.07532	1.7
385.09830	0.7
413.17209	3.3
431.18329	100.0
432.18713	3.0
447.14731	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.183
Annotation	Avizafone
Peak:m/z	Relative Intensity
62.69576	0.5
69.87612	1.5
75.18661	0.4
78.44968	0.5
91.03944	0.4
91.10337	0.4
114.89454	0.5
128.28636	0.4
181.99780	0.4
193.38072	0.5
225.81148	0.4
252.99054	0.4
291.06351	2.8
311.12543	2.9
329.07227	0.6
408.14978	0.8
413.17212	0.7
431.18326	100.0
432.18536	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	431.183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00993	0.9
69.36999	4.7
69.37402	2.8
105.83423	0.9
111.87271	0.8
130.29260	1.1
130.45201	0.9
183.64627	0.9
222.46765	0.8
266.42117	1.0
268.95026	0.9
283.06592	1.4
291.06329	6.5
299.06259	1.2
310.06290	0.9
311.05933	2.7
311.12448	1.2
329.07019	3.2
367.12622	1.8
385.13281	2.3
408.14886	7.5
413.16733	1.1
431.18347	100.0
432.18723	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	431.183
Annotation	2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate
Peak:m/z	Relative Intensity
51.75101	0.2
56.96557	0.3
61.02935	0.3
67.05499	0.8
68.66508	0.2
71.55704	0.3
71.65614	0.2
73.02924	0.3
79.05476	0.3
81.03397	0.3
81.07050	0.4
85.02899	0.6
91.03989	0.3
93.07046	0.4
97.02885	0.5
105.07054	0.4
107.08591	0.4
110.16974	0.3
148.04764	0.3
161.82616	0.3
180.36743	0.3
268.63232	0.3
316.11902	0.8
371.14676	0.3
385.01935	0.3
431.18332	100.0
432.18597	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	431.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93923	0.3
52.88797	0.3
55.92507	0.4
56.96564	0.5
59.95557	0.3
61.02900	0.3
63.75033	0.3
67.05527	0.3
70.01180	0.3
70.78571	0.8
73.02937	0.5
74.50153	0.3
79.05502	0.4
81.03419	0.5
81.07047	1.1
85.02906	0.5
91.05479	0.5
95.08611	0.4
97.02876	0.5
105.07047	0.6
107.08596	0.3
108.67924	0.4
135.11687	0.3
145.35901	0.3
155.08659	0.4
269.10538	0.5
375.12161	0.4
431.18320	100.0
432.18707	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	431.1341
Annotation	Ononin
Peak:m/z	Relative Intensity
53.51962	0.2
55.05511	0.3
56.96562	0.3
57.03432	0.2
59.14289	0.2
59.49531	0.2
63.11929	0.2
67.05498	0.4
69.03415	0.5
69.07069	0.3
69.41241	1.4
71.04983	0.2
72.66222	0.2
74.07753	0.2
75.78120	0.2
79.05488	0.4
81.03376	0.2
81.07067	0.9
83.04980	0.3
85.02905	0.4
91.05445	0.4
93.07040	0.5
95.04987	0.3
95.08596	0.6
96.07352	0.2
98.97590	0.3
105.07030	0.5
107.04960	1.5
107.08589	0.3
109.10164	0.4
118.04160	2.4
119.04982	0.2
119.08581	0.3
121.10158	0.4
123.04411	0.3
123.08099	0.2
133.02861	0.2
133.06499	0.6
133.10130	0.3
134.67393	0.2
136.01550	0.7
137.02341	1.3
137.05965	0.2
149.09616	0.2
151.07585	0.3
154.02576	0.9
156.05733	0.2
159.11784	0.2
163.03914	0.5
166.19067	0.2
170.07251	0.5
178.95905	0.2
181.06512	0.7
182.07280	0.4
197.05986	1.6
198.06779	1.0
213.09125	5.1
225.05507	0.8
226.06290	3.7
233.92702	0.2
234.27214	0.2
237.05481	5.0
241.08528	0.3
253.04967	4.1
254.05774	5.5
269.08090	100.0
270.08450	1.8
272.17590	0.4
299.05350	0.3
336.57410	0.2
396.58145	0.2
403.07828	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.6
57.03453	0.5
65.03946	0.6
67.05507	1.6
69.03416	0.8
70.73167	0.7
70.73482	0.9
77.07559	0.5
79.05480	0.8
81.03420	0.9
81.07066	1.3
82.09270	0.4
83.08640	0.6
85.02921	1.0
89.58709	0.5
93.07045	1.0
95.08634	0.6
97.02882	1.1
98.97602	0.6
106.00465	0.5
107.08576	0.5
108.02112	0.7
116.38778	0.5
121.02888	0.9
137.02348	1.3
151.03914	22.1
151.04985	1.7
151.07573	2.1
152.04359	0.6
152.07832	0.6
173.06027	0.9
177.01851	0.6
189.05511	0.7
190.06247	1.1
191.03502	0.6
192.04259	0.7
201.05545	0.6
203.03561	0.6
207.02814	0.8
216.00143	0.6
217.05057	0.9
218.02135	0.6
219.02969	2.4
233.08223	1.6
243.09006	1.4
267.09119	1.7
269.10544	0.7
269.17474	0.7
273.04010	0.6
285.04333	0.6
285.10172	1.7
286.10602	0.7
295.05719	0.7
301.03522	1.1
309.07632	0.5
311.05493	0.8
312.06137	0.7
316.06107	0.8
316.61917	0.8
323.05469	1.1
324.61691	1.4
327.04944	0.9
335.08835	0.7
337.07050	1.1
340.05795	2.2
344.05417	3.7
345.06067	0.9
353.10287	1.5
355.08051	1.1
356.05219	1.5
357.06097	1.9
359.07620	7.0
365.06256	1.2
367.08026	0.7
368.05292	17.7
369.06024	4.9
371.07669	3.2
380.08847	1.2
381.09735	1.0
383.07620	41.8
384.07910	1.2
385.09143	0.7
395.11395	0.7
397.09225	1.0
398.09860	3.9
413.12338	100.0
414.12790	2.8
431.13339	6.0
431.18463	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1339
Annotation	Torosaflavone B
Peak:m/z	Relative Intensity
56.96561	1.6
57.03453	0.5
65.03946	0.6
67.05507	1.6
69.03416	0.8
70.73167	0.7
70.73482	0.9
77.07559	0.5
79.05480	0.8
81.03420	0.9
81.07066	1.3
82.09270	0.4
83.08640	0.6
85.02921	1.0
89.58709	0.5
93.07045	1.0
95.08634	0.6
97.02882	1.1
98.97602	0.6
106.00465	0.5
107.08576	0.5
108.02112	0.7
116.38778	0.5
121.02888	0.9
137.02348	1.3
151.03914	22.1
151.04985	1.7
151.07573	2.1
152.04359	0.6
152.07832	0.6
173.06027	0.9
177.01851	0.6
189.05511	0.7
190.06247	1.1
191.03502	0.6
192.04259	0.7
201.05545	0.6
203.03561	0.6
207.02814	0.8
216.00143	0.6
217.05057	0.9
218.02135	0.6
219.02969	2.4
233.08223	1.6
243.09006	1.4
267.09119	1.7
269.10544	0.7
269.17474	0.7
273.04010	0.6
285.04333	0.6
285.10172	1.7
286.10602	0.7
295.05719	0.7
301.03522	1.1
309.07632	0.5
311.05493	0.8
312.06137	0.7
316.06107	0.8
316.61917	0.8
323.05469	1.1
324.61691	1.4
327.04944	0.9
335.08835	0.7
337.07050	1.1
340.05795	2.2
344.05417	3.7
345.06067	0.9
353.10287	1.5
355.08051	1.1
356.05219	1.5
357.06097	1.9
359.07620	7.0
365.06256	1.2
367.08026	0.7
368.05292	17.7
369.06024	4.9
371.07669	3.2
380.08847	1.2
381.09735	1.0
383.07620	41.8
384.07910	1.2
385.09143	0.7
395.11395	0.7
397.09225	1.0
398.09860	3.9
413.12338	100.0
414.12790	2.8
431.13339	6.0
431.18463	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0975
Annotation	Derhamnosylmaysin
Peak:m/z	Relative Intensity
55.01824	0.9
57.03375	0.7
60.17306	0.2
61.02881	0.4
63.57547	0.2
65.03906	0.3
67.05443	0.3
68.99784	1.4
69.03369	0.6
70.06558	0.3
71.10007	0.4
73.02882	0.2
79.05443	0.3
79.18475	0.2
81.03358	0.8
84.08113	0.3
85.02899	1.4
86.09673	0.4
89.03878	0.2
91.05486	0.9
95.04888	0.8
97.02820	0.7
103.05421	0.3
107.04891	0.6
109.02862	1.1
109.06493	0.2
117.03360	0.3
119.04866	0.6
119.05659	0.2
120.08047	0.2
121.02868	1.3
123.00777	0.5
123.04419	0.2
127.03874	0.2
131.04871	0.6
135.04422	3.8
137.02356	6.5
137.03386	0.5
137.05910	0.2
141.00923	0.2
141.01828	1.8
145.02785	0.5
147.04422	0.9
149.02350	0.9
153.01788	0.7
159.04463	0.8
161.01141	0.3
161.02356	3.0
161.05960	0.2
163.00305	0.4
163.03918	5.2
165.01848	18.7
166.02139	0.2
167.03320	0.6
173.02184	0.2
175.03905	0.5
177.01750	0.6
177.05368	0.6
178.99765	0.3
179.03410	1.9
181.04997	1.6
183.02910	4.5
187.03897	2.1
189.01779	1.0
190.02516	0.2
190.99727	0.4
191.03432	2.3
193.04904	0.2
195.02721	0.2
195.08025	0.2
197.02344	0.2
199.03900	0.4
203.03412	1.3
205.04938	1.1
207.02849	0.4
209.00781	0.2
209.04407	0.4
213.05330	0.2
215.03410	1.0
219.02817	0.2
221.04286	0.4
229.04955	0.3
231.02898	0.3
233.04523	1.0
243.02911	1.6
245.04385	0.6
255.06511	0.6
258.05157	0.4
261.03717	0.8
269.07980	0.5
271.05942	0.7
279.06458	0.4
283.06015	2.8
285.04141	0.4
286.04645	1.2
287.05496	6.7
288.05911	0.2
293.08069	0.7
295.05984	2.5
296.06683	0.3
297.07590	11.3
298.07568	0.3
299.05511	100.0
300.05927	3.5
305.08127	0.3
307.06131	0.4
309.07568	0.9
310.04645	0.8
311.05484	8.8
311.09155	3.0
312.05920	0.3
313.03424	0.9
313.07053	2.9
321.07559	3.2
323.05518	3.0
324.06296	2.8
325.03647	1.8
325.07059	31.2
326.07486	0.8
327.05032	1.1
329.06555	3.1
336.06287	0.5
337.07092	3.8
338.07581	0.2
339.05164	0.7
339.08636	15.1
340.09067	0.3
341.06381	0.5
349.07086	4.3
351.05008	0.5
351.34424	0.2
353.06577	45.1
354.06796	1.4
365.06586	12.5
366.06958	0.5
367.08115	3.0
371.07547	0.4
377.06586	10.6
377.60730	0.2
383.07620	17.2
384.07953	0.4
395.07632	20.0
396.08038	0.7
413.08713	18.9
414.09030	0.5
431.09821	12.7
431.22586	9.3
431.28625	0.3
432.09744	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	15.9
57.07073	10.4
67.05516	43.4
69.07075	21.2
70.49873	3.0
70.59010	6.1
70.59343	4.6
71.08642	4.1
76.04012	100.0
79.05524	12.3
81.07069	49.6
83.08627	17.8
85.10160	2.8
89.21436	2.7
91.05495	10.8
93.07040	10.6
95.08064	3.4
95.08624	45.9
97.10175	13.3
98.06046	4.2
100.03961	2.9
105.07043	4.2
107.08585	5.0
109.10160	20.1
110.06101	2.9
111.08125	2.6
111.11735	5.7
119.08587	10.2
121.10152	8.8
123.11709	7.6
125.13270	2.6
128.03453	4.4
133.10135	7.2
135.11681	4.4
137.13231	3.4
146.04523	4.6
147.11711	6.3
175.14793	2.4
176.37698	2.7
215.17868	3.5
301.28922	13.2
319.29944	14.5
348.32739	17.7
394.33157	56.6
412.28729	2.7
412.34125	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	430.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87997	0.4
55.05511	0.5
57.07079	2.2
58.07402	0.4
62.17930	0.4
62.95567	0.4
67.05505	3.8
69.07066	0.9
71.08612	1.2
71.21829	1.1
77.03906	0.4
78.24433	0.5
79.05470	0.7
81.07051	1.8
83.04990	0.5
85.10175	0.6
91.05472	1.0
93.07034	1.5
95.08588	1.3
107.08606	1.2
109.10158	5.1
119.08569	3.3
121.06509	11.0
121.07372	0.6
122.07279	1.8
123.08080	0.7
127.25468	0.5
135.08055	1.6
136.08846	13.3
137.09627	13.1
138.09929	0.6
149.05943	0.6
149.09572	3.1
150.09929	1.0
152.08308	1.7
162.06850	0.5
163.11205	2.0
164.08340	30.9
164.11499	1.6
165.09114	100.0
166.09442	6.4
177.09091	2.5
177.12782	0.5
178.09598	1.2
187.11127	0.6
190.09840	0.8
190.37494	0.4
191.10680	1.4
192.10915	0.5
197.96701	0.4
203.10548	0.5
205.12253	7.6
206.12732	0.8
221.75502	0.4
387.32599	0.5
411.35022	0.4
412.36630	0.5
430.38046	77.2
431.38376	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	430.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.1
55.01871	12.3
56.96558	1.9
57.03437	6.2
60.04523	1.4
61.02938	7.1
61.31343	1.3
62.22290	1.4
64.35403	1.3
64.55002	1.4
67.05503	2.7
68.99802	2.5
69.03437	34.3
69.07072	2.2
70.85040	2.3
70.85387	2.8
71.04988	6.7
73.02928	11.0
79.05494	2.2
81.03423	33.6
81.07068	3.6
85.02910	100.0
87.00829	34.8
87.04470	2.0
91.03967	3.6
91.05482	2.0
93.07052	2.0
95.08610	2.8
97.02286	3.2
97.02895	41.0
98.97627	1.7
99.04469	18.0
105.01872	31.6
105.06993	2.2
108.04502	9.7
109.02880	34.1
117.01851	4.9
119.08559	1.6
121.10106	1.9
126.05531	5.4
127.03929	81.1
129.01833	4.5
137.05971	4.4
145.04967	40.4
147.02908	4.9
151.03949	2.0
159.02914	28.0
165.09172	2.7
177.03947	1.9
189.09087	4.4
195.02937	1.4
213.03973	4.4
230.06593	2.2
231.04988	13.6
231.10257	2.4
248.07709	4.0
269.08163	8.5
269.12494	2.4
275.46613	1.5
298.07843	2.3
383.07440	2.1
413.12347	2.7
430.16711	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15610	1.9
55.01878	2.3
57.03443	19.1
57.07076	12.7
59.05006	2.9
61.02928	3.2
63.04493	15.2
65.01411	1.7
69.03436	49.3
69.63270	3.8
69.63688	7.9
70.06588	6.3
70.75336	2.1
71.05013	2.1
72.46896	1.8
72.65782	2.0
73.02931	16.2
79.05517	1.9
81.03419	4.7
84.08138	2.7
85.02914	32.8
86.01563	1.9
86.09698	5.7
87.04472	28.4
95.04980	2.3
97.02904	42.1
99.04440	2.9
106.64932	2.1
114.45360	2.0
114.65788	1.9
115.03940	48.7
119.10699	77.0
120.08147	3.6
121.02850	2.7
127.03921	6.8
133.04979	47.9
135.04427	6.0
137.02345	6.9
145.04996	6.8
150.07570	3.4
163.03870	3.5
163.11137	4.0
164.11580	3.1
165.01849	16.5
183.02869	3.0
186.69310	2.2
187.03914	2.5
191.03387	2.4
227.15105	2.0
241.07101	3.2
283.05927	2.8
287.05484	7.8
297.07623	10.4
299.05511	100.0
311.05417	5.4
311.08771	2.6
313.07297	2.1
325.07071	31.8
329.06653	2.8
337.07025	4.1
339.08597	19.1
349.07150	4.1
353.06586	45.7
365.06650	13.4
367.08182	3.0
377.06686	12.1
383.07672	17.0
389.32458	2.1
394.09164	2.3
395.07642	16.2
412.09778	3.9
413.08817	16.6
430.10428	14.9
430.21393	34.7
431.09866	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	429.3732
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.83974	0.6
55.05500	3.0
55.74997	0.8
56.50533	0.6
57.07080	18.2
59.79188	0.7
64.94559	0.6
67.05502	5.4
69.03475	0.9
69.07078	3.7
70.74181	1.6
71.08639	12.1
72.43459	0.7
79.05496	2.0
81.07071	7.2
83.04981	1.1
83.08630	3.7
85.10199	5.5
87.10617	0.7
89.51064	0.6
91.05457	1.6
93.07041	2.9
95.08619	8.3
97.10187	1.9
105.07054	3.8
107.08598	5.6
109.06564	0.7
109.10168	6.3
111.04453	1.2
111.11732	1.5
117.06998	1.1
119.08602	3.0
121.06504	0.9
121.10142	5.1
122.07346	1.8
123.08080	1.6
123.11697	1.7
131.08617	3.4
133.10072	1.2
135.08080	6.0
135.11697	2.3
136.15935	0.7
137.09636	10.8
139.07513	2.0
140.30186	0.6
145.10158	3.3
149.09631	16.2
151.07594	0.9
151.54022	0.7
157.10066	0.8
159.08087	1.3
159.11693	3.0
160.08795	1.4
161.09636	0.8
162.06862	0.9
163.11192	21.2
165.09126	100.0
166.09460	1.0
171.11722	0.8
173.09663	1.5
173.13268	2.4
175.07465	0.8
175.11215	5.8
176.08316	2.2
177.09129	12.0
177.12752	2.3
179.10716	2.3
183.35429	0.7
186.10408	0.8
187.11182	2.8
187.14926	1.1
189.09134	1.4
189.12784	2.4
190.09843	0.9
191.10680	9.7
191.14316	1.0
193.12242	1.1
195.82626	0.7
201.12711	3.6
203.10599	2.0
203.14372	1.7
204.11430	1.0
205.12236	9.6
215.14346	1.7
219.13895	5.8
233.15393	3.3
247.16954	1.2
261.18536	0.7
275.20035	1.8
289.21561	2.4
303.23157	2.5
317.24823	1.2
331.26422	0.9
345.28052	1.1
373.30948	1.2
401.33914	3.4
411.36209	1.6
429.31989	2.8
429.37277	39.8
430.37592	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3732
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05503	2.5
56.35978	0.9
56.92768	0.7
57.07079	17.1
60.20842	0.8
67.05508	4.7
69.03440	0.7
69.07060	3.8
70.78229	1.4
71.08637	13.2
79.05492	1.4
81.07059	6.5
81.46034	0.8
83.08617	3.3
85.10184	4.9
91.05470	1.9
93.07037	2.2
95.08623	8.4
97.10183	1.4
105.07043	2.3
107.08594	5.8
109.10177	4.2
111.11732	1.2
119.08560	5.8
121.06516	1.9
121.10162	4.1
122.07304	1.5
123.08105	1.6
123.11726	1.4
131.08585	3.0
133.10191	0.9
135.08061	5.6
135.11725	2.9
137.05977	1.4
137.09618	9.4
139.07558	3.0
145.10114	1.9
145.48323	0.7
147.11630	0.7
149.09636	15.6
151.07594	1.4
159.08037	1.1
159.11720	2.4
162.06807	0.8
163.11195	20.3
164.08356	2.2
165.09125	100.0
166.09506	1.4
168.14655	0.7
171.79443	0.7
173.09641	2.3
173.13316	2.3
173.58017	0.7
175.11206	5.4
176.08359	1.5
177.09120	11.4
177.12738	2.0
179.10680	1.5
186.10353	0.9
187.11197	2.9
189.09108	1.3
189.12741	2.1
190.09875	1.1
191.10675	10.1
201.12727	2.7
203.10652	1.7
203.14465	0.9
204.11440	1.0
205.12251	11.0
205.13976	1.1
215.14420	1.3
219.13828	4.7
233.15419	3.0
247.17067	1.4
261.18610	1.5
275.19940	1.2
289.21735	2.0
297.26218	0.9
303.23196	1.8
317.24759	1.5
331.26355	1.0
401.34119	2.3
411.36182	1.2
429.32098	2.2
429.37280	40.1
430.38062	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	429.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.0
53.82445	0.9
55.05516	14.2
57.03427	1.6
57.07076	8.4
67.01863	1.9
67.05518	5.5
69.03411	1.8
69.07076	42.6
69.16362	2.6
69.16764	7.2
71.04999	1.1
71.08643	6.0
79.05476	3.0
81.03416	4.9
81.06657	1.0
81.07069	14.2
83.04971	3.3
83.08165	0.9
83.08625	18.1
85.02896	1.8
85.10181	2.0
87.42390	0.8
91.05473	4.1
93.07046	9.6
95.04953	2.6
95.08609	12.2
97.02886	3.2
97.06515	1.1
97.10171	8.1
105.07027	2.9
107.08584	2.8
109.06496	2.6
109.10178	6.0
111.04454	1.2
111.08094	1.8
111.11722	6.5
119.08562	2.6
120.24197	0.9
121.06503	2.8
121.10133	1.3
123.08094	2.4
123.11681	3.5
125.13264	2.5
127.03880	1.0
131.08553	2.0
133.06477	1.6
133.10118	1.3
135.08022	2.8
135.11656	1.1
137.05995	9.6
137.13203	3.1
139.07536	5.1
140.28087	0.9
141.05481	2.5
143.08549	1.3
145.10115	1.0
147.08041	2.5
147.11691	0.9
149.05989	4.5
149.13235	1.2
151.07553	18.2
151.14764	1.1
157.10133	1.1
159.08012	1.4
159.11739	1.6
161.05981	2.4
161.09587	1.5
165.05498	10.4
165.09138	6.8
167.07051	100.0
173.09515	1.7
175.07582	2.6
175.11165	2.0
177.09074	2.7
178.06267	1.2
179.07001	3.0
179.10648	2.2
181.08614	2.8
188.08325	1.1
189.09209	5.0
189.12701	1.1
191.07010	3.0
191.10658	2.4
192.07735	1.4
193.08664	5.7
193.12212	2.7
203.10677	3.6
205.08562	4.7
205.12268	1.6
207.10182	8.9
211.13257	2.2
215.10745	2.1
217.12259	1.7
219.10121	2.6
221.11781	4.5
233.11539	1.4
235.13336	2.2
247.13257	1.8
291.19467	1.6
328.33759	0.9
347.25626	2.2
358.06741	1.4
373.09216	3.3
373.27176	1.5
374.83899	0.9
411.32428	2.3
429.31946	54.5
430.32593	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	11.1
55.01876	5.5
55.05517	14.3
56.96561	3.5
57.03444	25.1
57.07089	2.5
57.61289	1.7
61.02924	3.9
63.71312	1.7
65.03951	1.8
67.05177	2.6
67.05512	42.8
69.03433	28.9
69.07078	18.8
69.17580	6.5
69.18008	13.2
71.05011	13.1
73.02914	3.3
78.80843	1.7
79.05509	23.0
81.03428	92.9
81.07066	100.0
83.01363	2.0
83.04987	13.4
83.08625	9.0
85.02918	21.0
85.06543	7.0
91.05486	37.0
93.07064	22.1
95.04969	9.2
95.08617	30.4
97.02906	18.1
97.06558	9.8
97.10149	2.1
99.04475	17.2
99.08095	4.1
103.03951	13.4
105.07045	46.2
107.04980	2.7
107.08614	17.0
108.50273	1.6
109.02892	44.0
109.06515	7.8
109.10165	6.6
111.04457	4.7
113.06018	2.8
117.07018	2.0
119.08601	33.2
121.06497	2.5
121.10168	22.8
123.08067	12.9
123.11713	26.0
127.03922	27.4
127.07532	2.9
129.05560	1.7
129.07014	3.5
131.08609	3.7
133.10130	5.0
135.08075	5.5
135.11693	3.5
137.05966	5.9
137.13231	3.7
145.04980	2.4
145.10074	6.3
147.11707	80.8
149.09668	2.6
151.07561	78.2
152.65559	1.9
157.10071	3.3
158.67216	1.9
159.08061	2.5
159.11758	2.0
159.25328	1.9
163.11142	10.0
165.05476	3.1
165.09114	2.9
165.12779	43.8
167.07059	3.1
175.11208	6.8
176.08203	2.6
177.09105	19.2
183.06587	8.6
183.13847	8.4
191.10693	38.3
193.12294	8.4
201.07608	2.5
205.12256	19.9
229.14378	10.9
253.14345	2.0
267.15936	36.8
285.17084	21.4
309.16953	2.5
313.16528	10.8
320.22461	2.0
327.18213	2.4
337.16422	6.5
393.19025	3.0
411.20279	9.7
425.46252	1.7
429.21274	32.1
429.33823	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	429.21
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
56.96560	0.4
59.82291	0.3
64.84292	0.3
69.03427	0.8
70.06606	1.9
72.08141	0.5
73.04752	0.6
77.81352	0.3
84.04520	0.4
84.08155	0.6
85.02917	1.1
86.09695	0.9
89.03901	0.4
95.04971	1.1
97.02905	0.4
98.97607	0.9
99.86266	0.4
105.07066	0.5
105.64037	0.4
107.04992	0.5
107.08607	0.5
116.07114	0.5
127.03918	0.5
150.07805	1.0
164.07066	0.8
167.05544	0.5
203.05305	1.0
249.14734	0.7
267.11877	0.6
285.04355	1.3
359.02917	0.4
367.17386	0.4
404.57825	0.4
411.19781	0.9
429.21078	100.0
430.21472	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	429.21
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97724	0.9
56.96568	3.7
58.74920	0.9
65.16201	0.8
70.06601	1.7
71.05099	2.1
85.02911	2.1
86.09705	1.4
98.97590	13.0
99.04508	0.9
107.72242	0.8
110.97610	0.9
116.98655	3.4
121.10192	0.9
127.03964	1.0
133.10072	1.0
145.05072	1.1
147.98897	1.0
155.78848	0.9
158.99710	2.2
187.69987	0.9
225.07890	1.0
249.11760	1.1
249.14880	1.4
267.09222	2.4
267.12460	3.5
285.10199	1.8
309.13663	4.9
327.14798	1.7
429.21167	100.0
430.21457	2.5
447.19357	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2105
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
53.03942	1.0
53.63650	0.4
55.01863	1.0
55.05513	1.0
56.96575	0.7
57.03430	1.4
61.02922	0.5
66.45753	0.4
67.05514	1.4
69.03421	2.1
69.07085	1.1
71.04992	1.1
71.55202	0.6
73.02965	0.6
79.05490	1.6
81.03427	3.4
81.06625	0.4
81.07058	2.6
83.04987	0.8
83.08590	0.6
84.08111	0.6
84.96112	0.4
85.02915	5.7
85.06509	0.4
86.09710	1.8
87.00858	0.7
91.05504	1.7
93.07047	1.8
95.04977	1.5
95.08635	1.6
97.02895	1.9
98.97596	0.9
99.92804	0.4
105.01920	0.7
105.07039	2.5
107.08600	1.9
109.02885	1.3
109.06539	0.7
109.10153	1.2
117.07005	0.5
119.08587	1.7
121.06481	0.8
121.10146	1.5
122.39210	0.4
123.08082	1.0
125.09630	0.4
127.03910	2.6
129.05521	0.6
129.07028	0.7
131.08611	0.7
133.10112	1.1
135.11746	1.0
136.95699	0.4
137.06049	1.2
143.08575	0.6
145.10156	1.5
147.11691	1.5
149.09569	0.5
149.76416	0.4
151.07581	0.8
157.10191	0.5
159.02942	0.6
163.11188	3.2
165.12766	0.7
167.07063	2.0
174.09843	0.5
175.11156	0.6
189.09087	1.1
193.12265	0.8
205.26183	0.5
211.13380	1.2
249.14760	0.6
260.09686	0.5
267.12604	0.7
267.15866	2.1
385.18530	0.6
390.74902	0.4
429.21063	100.0
430.21341	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1893
Annotation	Pseudorhodomyrtoxin
Peak:m/z	Relative Intensity
54.52032	1.5
55.01875	2.5
56.90021	1.6
56.96572	15.3
57.13118	1.8
69.03426	2.8
70.06576	3.3
71.04964	1.8
71.56065	2.6
79.05499	2.1
81.03428	3.1
81.07061	3.6
81.28484	1.7
85.02882	6.8
86.09689	5.0
93.07058	2.4
95.04953	3.9
97.02886	3.4
98.97595	20.0
100.99120	4.1
103.96443	1.6
105.07028	3.0
107.08619	2.2
109.10183	1.9
110.62975	1.7
110.97530	6.3
115.00697	1.8
116.98596	5.1
121.02871	4.0
123.55637	1.9
127.03883	3.5
128.98601	2.5
137.05865	1.8
158.99672	3.3
163.11237	13.2
179.04707	1.8
181.12260	2.5
219.01707	7.8
237.02744	5.3
240.62381	2.0
267.12350	8.1
285.13596	6.6
291.12558	3.8
309.13641	5.2
327.07635	1.8
327.14594	2.6
339.07819	3.3
411.16711	5.8
429.09885	6.1
429.18707	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
59.12193	0.4
64.18157	0.4
70.89133	0.9
72.04494	0.4
73.28811	0.5
74.00668	0.6
78.43540	0.4
78.45815	0.4
84.04520	3.8
85.02904	0.7
90.05561	1.5
94.06578	2.6
99.02708	0.7
106.06582	0.5
107.07339	8.3
108.08129	4.7
110.09679	0.8
112.02203	1.7
125.02946	1.3
126.05543	1.7
126.13934	0.4
127.05043	3.2
130.05002	1.3
137.04211	0.7
138.03702	0.5
140.05301	100.0
141.05667	1.1
142.06876	0.7
144.06560	1.0
145.06128	0.5
166.06882	6.4
183.09572	1.5
185.03830	1.4
191.04846	5.5
193.07982	1.3
194.06360	7.3
211.09091	2.7
231.04355	2.7
249.10580	0.7
249.14639	0.6
260.41754	0.4
300.13800	4.7
322.12164	0.5
340.13315	0.4
429.21152	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	429.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
54.13388	0.3
56.05038	0.6
56.96569	5.7
57.36984	0.4
57.44366	0.4
61.02932	0.7
69.03417	1.4
70.06589	1.0
71.54996	0.4
73.04749	0.8
74.97585	0.6
77.03927	0.5
81.03410	1.0
84.04510	12.2
84.05006	0.4
84.08155	0.5
84.96020	1.2
85.02904	3.9
91.05471	2.1
91.05877	0.8
93.07043	5.3
95.04968	0.5
97.02903	1.6
98.97585	12.9
102.05547	0.5
103.05477	3.3
110.97559	1.7
116.98624	4.3
120.08133	0.9
121.06511	100.0
122.06869	1.0
127.03938	0.6
128.98633	1.4
130.05008	10.1
134.99670	1.2
135.04405	0.6
136.06213	1.0
138.09148	15.1
143.00174	1.2
145.02850	0.6
145.05009	0.5
146.99658	0.6
147.04395	0.9
150.99176	1.0
158.99637	3.6
161.01268	0.7
163.03925	2.4
163.07608	0.6
166.08669	0.8
170.99812	0.5
174.99226	0.5
177.00763	2.2
193.01683	0.6
204.10197	0.6
209.01340	0.6
211.02864	0.6
218.99690	1.0
219.01784	1.8
221.12978	2.7
225.00972	0.5
237.01057	2.1
237.02745	2.5
243.01607	0.6
248.99074	0.8
250.10770	9.8
255.01749	4.8
255.03984	0.7
267.00293	2.9
267.13419	35.5
268.13553	0.5
269.03329	1.0
273.02826	4.0
279.01675	0.5
285.01440	1.0
291.00327	0.7
297.02896	2.4
300.14459	2.4
309.01260	2.4
339.03302	0.5
351.02405	0.5
359.02823	1.3
369.04617	0.9
387.05756	0.9
411.04684	3.3
412.15976	2.3
429.04044	1.7
429.18707	9.9
430.19394	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07069	3.3
71.54700	1.8
97.02892	1.0
106.83076	1.0
122.21537	0.9
138.42447	1.0
155.01918	1.4
164.69014	1.0
181.03476	1.7
187.02486	1.3
189.04005	1.7
193.05058	1.0
195.08028	1.8
197.02960	6.9
201.67418	1.0
205.03484	4.1
205.06477	1.0
207.04999	1.0
211.04558	3.3
219.04947	1.3
221.03012	3.2
221.06047	1.4
223.04539	2.1
234.03825	1.2
239.05550	1.0
249.05627	1.5
263.05707	2.7
265.07211	1.1
279.05048	1.8
281.06610	8.6
283.07907	1.2
291.04898	5.3
295.04584	2.2
297.06085	18.6
298.06406	1.0
299.07742	4.5
299.65115	0.9
307.01563	0.9
309.06085	47.1
313.05435	1.1
313.09192	1.5
315.07056	2.9
320.08044	1.1
327.07159	50.6
329.06512	1.0
332.07947	3.1
345.08414	5.8
347.11554	4.0
349.09079	4.5
350.08960	2.8
361.09232	2.2
363.10760	5.8
365.12393	22.9
381.11710	2.7
382.03790	1.1
383.13409	41.6
386.50745	0.9
388.13800	10.1
401.14584	12.3
406.15021	100.0
407.15134	2.0
424.16086	2.6
429.16690	10.7
453.14325	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1675
Annotation	Vismiaguianone E
Peak:m/z	Relative Intensity
61.73458	0.4
70.59482	0.5
70.59829	1.0
79.05489	0.6
105.23366	0.4
149.02385	0.7
179.03433	0.7
193.05019	0.6
228.09654	0.5
291.06415	1.2
309.05911	1.1
309.11029	3.9
327.07239	1.5
373.09363	0.6
383.13409	1.4
406.15063	2.8
411.43753	0.4
429.16785	100.0
430.17218	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1738
Annotation	Hyuganoside II
Peak:m/z	Relative Intensity
53.03938	1.1
54.46835	0.7
56.96555	1.8
67.05487	1.1
69.03410	1.4
69.64886	4.0
70.06563	1.0
71.04970	0.7
74.63537	0.6
79.05492	0.8
81.03398	1.3
81.07050	1.4
85.02882	2.8
86.09698	1.0
91.05451	0.8
93.07048	1.1
95.04953	0.7
95.08617	1.3
97.02878	1.5
98.21732	0.6
98.97549	1.9
105.07031	1.3
108.63039	0.7
119.08568	1.2
127.03905	1.4
133.10109	1.2
138.28313	0.7
158.95120	0.7
161.09546	1.0
167.37517	0.6
177.05115	0.7
189.12759	0.6
193.12199	0.8
203.05315	5.9
211.13176	1.9
223.11752	1.4
225.09692	2.3
241.12849	1.6
243.10814	3.5
249.10980	0.8
267.12115	31.3
273.02576	0.6
285.11719	3.0
309.11328	1.3
365.12198	0.8
411.17020	0.7
429.17111	100.0
430.17514	3.6
438.50433	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.0
55.01876	4.7
55.05502	1.0
57.03444	4.0
59.04992	0.9
60.82513	0.8
61.02924	2.5
67.05502	1.6
68.99790	2.6
69.03431	23.4
69.25420	2.1
69.25824	5.5
70.06581	1.9
71.04983	3.4
73.02908	5.1
75.54571	0.8
79.05494	4.1
81.03426	22.3
81.07083	5.1
83.04974	2.3
85.02913	40.9
86.09692	2.0
87.00835	17.8
87.04468	1.5
91.03934	0.9
91.05458	4.9
93.07053	8.9
95.04973	15.2
95.08634	1.0
95.56154	0.8
97.02899	15.5
97.06526	1.7
98.97588	3.0
99.04463	8.4
103.03943	1.4
105.01872	12.5
105.07036	9.0
107.04939	1.8
107.08587	10.0
109.02889	21.1
109.06501	2.8
115.03949	1.4
116.98620	1.0
117.01841	2.4
117.06992	3.0
119.08583	5.4
121.02831	0.9
121.06515	5.3
121.10136	10.8
125.05996	1.0
127.03923	37.7
129.01833	2.4
129.06999	0.8
130.07762	3.2
131.08470	0.9
133.10100	1.4
135.08080	1.7
135.11716	6.1
137.05983	1.8
143.08543	1.8
145.04984	13.3
145.10129	14.5
147.02893	2.7
147.08075	2.7
147.11705	1.3
159.02898	13.2
161.09604	1.6
163.11191	100.0
164.11555	1.7
165.09138	1.9
167.07076	2.3
175.11162	2.2
177.03879	1.2
181.12164	5.2
189.03935	2.4
205.12218	4.9
209.11682	0.9
213.03905	1.6
221.11775	0.8
223.13289	7.8
231.05038	7.1
267.12213	1.2
271.13272	1.2
289.14288	1.3
295.06125	0.9
310.08252	0.9
359.03067	1.3
384.89224	0.8
393.15469	2.3
404.82190	0.9
409.20880	0.8
411.10873	1.1
411.20386	6.6
422.30765	0.8
429.11737	1.4
429.21481	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	429.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	49.4
62.61167	1.2
67.05497	1.6
68.41695	1.3
68.68141	1.2
69.03412	2.0
69.07045	1.2
69.39948	4.7
69.40376	6.4
71.95274	7.4
72.96027	5.6
73.39986	1.6
80.21684	1.3
81.07031	2.6
84.96053	2.5
85.02876	2.0
93.50799	1.2
95.08619	1.5
98.97607	2.4
105.00102	1.7
105.07001	1.4
110.66859	1.4
110.97565	3.5
119.01775	1.3
127.03934	2.1
128.98575	2.2
137.02744	2.6
139.00656	1.8
141.02118	1.7
151.07561	1.9
155.03792	2.3
159.03296	1.6
163.11183	2.9
171.03310	3.7
185.04842	2.8
185.08478	1.2
187.06279	1.4
199.02792	1.7
203.05876	1.4
211.06393	2.7
223.10004	10.4
237.07898	2.4
241.11121	100.0
249.07982	2.4
259.12198	78.4
264.12753	2.9
267.09039	21.2
285.10101	87.8
303.11157	49.9
308.11624	4.1
309.10168	2.6
327.11105	3.0
344.27042	1.4
385.15228	2.6
411.13272	4.8
429.14606	47.5
430.15002	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1549
Annotation	12a-Hydroxyamorphigenin
Peak:m/z	Relative Intensity
53.03920	0.2
55.01826	0.2
56.16186	0.2
56.96508	0.2
65.03895	0.2
67.05469	0.2
69.76592	0.9
75.36944	0.1
79.05441	0.6
81.07001	0.3
83.01291	0.4
83.04974	0.1
84.42809	0.1
89.87708	0.1
91.05451	0.3
94.00569	0.2
94.04136	0.2
95.04959	0.2
97.02792	0.2
105.03359	0.3
105.06974	0.2
107.04966	0.8
107.05550	0.2
109.02866	0.2
109.06469	0.3
109.10088	0.1
121.02898	0.9
122.03581	0.5
123.04362	0.2
127.03905	0.1
129.06967	0.2
133.02864	0.2
135.04428	0.8
137.05997	0.8
138.06709	0.6
147.04456	1.1
147.08049	0.2
147.52838	0.2
149.02327	1.1
151.06468	0.2
151.07555	2.8
153.05440	0.2
155.07059	0.3
157.06471	0.5
161.05943	0.2
163.03867	0.5
165.05481	6.8
166.02452	0.2
167.03331	0.4
169.01305	0.3
173.06039	0.3
175.03877	0.5
175.07500	0.2
178.06216	0.7
180.00520	0.5
181.01315	0.8
181.04984	0.4
185.05981	1.1
187.03929	0.4
187.07474	0.3
193.04890	0.2
195.02931	1.3
198.01611	1.0
199.02315	0.4
199.07642	0.2
201.09090	0.3
203.07074	0.2
210.06696	0.2
213.03816	0.4
213.05455	1.2
215.07010	0.3
217.08536	0.2
218.09422	0.2
225.05362	0.4
227.07043	0.4
228.07811	0.4
229.08624	0.2
230.05782	0.2
231.06552	1.0
241.04948	1.1
242.05676	0.3
243.06506	0.9
245.08266	0.2
247.06024	0.2
253.05017	1.6
254.05804	0.2
255.06471	0.5
256.07330	0.6
257.08051	0.2
258.05228	0.3
259.06027	3.0
266.05707	0.3
269.04495	1.5
271.06012	3.2
273.07654	0.4
274.08374	1.3
281.04446	0.4
283.06049	0.6
284.06668	0.7
285.03909	1.0
285.07233	0.3
286.04672	0.6
287.05508	5.8
289.10715	0.4
297.03903	0.4
298.04678	0.3
299.05548	2.3
300.02695	0.3
300.06052	0.2
301.07013	0.5
302.07919	1.1
311.02338	0.2
311.05438	1.0
312.02902	0.2
312.06253	1.8
313.03339	0.5
313.06863	0.3
314.04388	0.8
314.07507	0.2
315.05005	15.1
316.05484	0.4
317.10086	0.5
327.04974	2.4
329.02963	0.2
329.06525	2.5
330.03848	0.3
330.07349	4.7
331.07928	0.4
339.04892	0.5
340.05743	1.0
341.06586	0.3
342.03665	1.1
343.04517	3.8
344.05280	1.2
345.09683	0.6
355.04504	0.7
357.02505	0.2
357.06055	7.4
358.06845	28.3
359.07367	2.0
371.07520	0.9
373.09201	100.0
374.09515	2.2
399.10309	0.2
429.15497	28.8
430.15753	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10778	1.1
55.05512	1.2
56.96569	47.6
57.03440	1.5
66.64680	1.1
67.05505	1.6
69.03428	2.2
69.07066	1.7
69.87402	5.3
71.95282	6.5
72.96034	3.1
81.03429	2.1
81.07053	2.0
84.96027	3.0
85.02914	3.6
93.07038	1.6
95.05009	1.5
97.60266	1.1
97.96831	1.3
98.20738	1.4
98.97576	2.5
104.07027	1.2
105.07065	1.6
107.08637	1.6
110.97594	4.1
116.98612	1.5
121.10134	1.6
123.64868	1.2
127.00645	1.2
127.03905	1.6
137.02759	2.7
139.00658	2.0
141.02243	2.6
153.02286	1.6
155.03831	2.3
159.03264	1.9
163.11171	2.7
165.05656	1.3
169.01752	1.3
171.03319	1.3
185.04897	2.5
189.04393	1.3
199.02858	2.5
199.06471	2.0
203.05910	1.4
211.06367	1.4
217.03737	1.1
223.10033	10.0
237.07857	1.7
241.11125	100.0
242.11513	3.5
249.08101	2.8
259.12201	80.9
264.12802	4.9
267.09106	17.3
282.13757	1.7
285.10104	90.3
286.10443	1.6
303.11169	43.5
308.11661	4.4
309.10095	2.1
326.12766	3.0
327.11191	3.5
385.15457	4.5
411.13303	5.0
429.14529	38.9
447.15552	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35754	1.4
55.05515	21.3
56.05025	5.0
57.03429	2.9
57.07082	21.5
58.06592	3.7
60.04261	2.0
60.04530	29.1
67.05510	8.2
68.05038	2.4
69.03426	1.8
69.07069	3.5
70.06599	3.2
71.55558	2.2
72.04502	2.8
72.08121	1.6
72.58204	1.5
74.02457	1.5
74.06089	25.6
78.48708	1.3
79.05488	4.1
81.03408	2.0
81.07058	9.6
83.08618	4.5
85.02903	3.6
86.06057	6.5
87.08115	75.3
88.07635	25.4
91.05428	2.9
93.07033	5.2
94.21535	1.8
95.08598	5.8
97.02914	2.2
100.07612	2.1
105.07042	4.2
109.10145	3.1
113.00032	8.9
114.91475	1.5
117.12070	1.4
121.10178	2.6
142.12277	15.2
149.02419	2.8
166.05261	1.8
167.03384	2.4
169.02637	5.4
174.14912	16.6
192.80684	1.4
215.05859	3.3
261.22195	1.7
280.26392	3.6
298.27466	7.8
304.04953	2.9
306.27896	2.8
313.05630	2.0
324.29034	5.6
324.47946	1.6
342.30072	11.6
396.34781	20.5
428.37396	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.0
55.05515	8.2
57.07077	6.7
58.02570	1.0
67.05513	5.0
69.07080	11.5
70.02965	4.7
70.73955	1.9
70.74288	0.9
71.08640	4.8
72.04198	0.8
72.04524	21.0
79.05497	4.8
81.07058	5.8
83.08622	10.5
84.69296	1.0
85.10180	1.8
90.05566	100.0
93.07049	5.3
95.08624	5.2
97.06551	2.1
97.10163	7.4
98.02434	8.0
98.06049	1.6
107.08601	2.5
109.10169	2.5
110.29456	0.9
111.08067	1.4
111.11729	2.3
114.05576	0.9
116.03464	5.3
121.10173	6.6
131.76196	1.0
135.11719	4.6
145.10062	0.9
149.13301	2.4
165.09102	1.5
202.75117	0.9
303.30524	1.1
321.31567	2.1
350.34180	5.2
392.15457	1.0
392.35254	18.4
398.33069	1.0
410.36328	49.8
428.37387	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	429.1183
Annotation	3,5-Diacetyltambulin
Peak:m/z	Relative Intensity
51.15989	0.3
51.42915	0.3
55.05478	0.4
67.05467	0.4
69.65258	0.5
69.65663	1.5
81.03349	1.0
81.07015	0.8
85.02859	0.5
91.05399	0.4
95.04899	0.5
95.08595	0.4
97.02849	0.8
101.87057	0.4
108.18018	0.4
109.02838	0.3
112.34403	0.3
121.02808	1.0
149.02319	0.5
151.03920	2.4
191.03291	0.4
193.12166	0.5
197.68282	0.4
207.02824	1.5
211.13350	0.4
215.01746	0.3
235.02345	1.1
265.07132	1.4
269.10559	0.4
274.61432	0.4
283.08740	0.4
310.04626	0.5
311.05499	0.5
313.03510	0.4
323.10873	0.8
325.03506	0.4
325.07068	0.5
328.05908	0.7
339.04889	0.5
341.02902	1.0
342.03674	1.9
343.08127	1.8
353.06705	0.8
356.05185	3.2
357.06049	4.7
357.10059	0.6
371.07645	6.5
382.06870	1.0
384.04779	16.4
386.09686	0.6
396.08426	1.1
397.09360	2.1
399.07141	50.3
400.07364	1.5
411.10870	0.5
414.09476	14.0
429.11847	100.0
430.12234	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.3
63.74065	1.2
65.03951	14.3
69.07081	1.9
69.92114	3.6
69.92520	2.4
71.05015	2.4
71.30698	1.2
71.66599	1.2
79.05487	2.1
81.07047	1.2
83.04954	1.3
88.51765	1.1
91.05473	3.4
93.03420	9.3
107.04948	3.4
107.08620	1.4
109.10195	1.2
112.82691	1.0
119.04926	1.8
119.08539	1.9
128.06207	1.1
131.08609	1.3
133.06523	1.7
135.04449	2.4
137.02359	3.8
147.04414	9.1
147.08066	4.1
149.02353	4.7
156.51811	1.1
159.08064	2.7
161.02348	10.6
161.05956	2.7
163.03932	3.1
167.03378	6.1
179.03412	100.0
187.07542	2.0
215.07130	2.4
217.08618	27.7
233.08107	11.1
235.09648	15.8
245.11775	2.3
251.09169	43.5
257.06555	1.4
264.01047	1.1
269.08087	3.6
271.13358	2.3
281.08127	14.2
289.14404	18.5
292.56961	1.1
323.12909	1.2
335.12778	8.2
337.14368	26.5
353.13885	42.5
354.14191	1.9
368.85611	1.2
391.19092	30.0
392.19043	1.6
409.20108	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	427.2122
Annotation	Broussoflavan A
Peak:m/z	Relative Intensity
55.05506	9.4
57.03437	4.9
67.05506	7.2
69.03441	5.5
71.54890	6.1
75.52554	3.6
79.05520	4.0
81.03429	6.6
81.07053	10.8
85.02906	5.3
86.65250	3.7
91.05470	4.9
93.07069	11.2
95.04983	5.9
95.08611	11.1
105.07069	4.6
107.08600	7.0
109.10145	6.8
117.07053	3.8
117.61413	3.5
124.76025	3.9
135.11687	5.4
145.10155	5.3
149.02368	69.2
151.07599	19.2
153.01840	4.0
161.05872	4.2
167.03409	100.0
191.10654	10.6
203.10739	3.9
205.12282	4.5
229.07614	4.5
269.08057	62.1
269.10669	3.0
273.86197	3.8
391.18799	7.6
409.20013	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	427.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.01863	3.6
55.05274	2.1
55.05519	35.8
57.03442	15.6
57.07083	46.1
60.30497	1.5
61.33593	1.7
67.05511	36.9
69.03444	1.7
69.07076	45.6
69.17492	17.7
71.08644	24.0
79.05509	14.3
81.07065	55.8
83.05000	2.9
83.08627	34.9
85.06551	3.7
85.10182	11.4
91.05502	5.0
93.07053	20.5
95.08614	56.5
97.06544	12.2
97.10179	30.5
101.06020	1.7
105.07038	4.7
107.08604	17.3
109.10162	23.8
111.08065	8.0
111.11713	8.0
119.08623	3.1
121.10157	24.5
123.11691	11.8
125.09648	6.2
125.13298	2.4
129.09126	3.7
133.10164	2.7
135.11711	20.3
137.09679	2.0
137.13257	4.4
139.11169	7.9
143.10745	1.7
145.10178	1.8
149.13297	12.7
151.14850	2.2
153.11688	1.8
153.12694	8.2
157.10167	2.4
163.14827	6.8
167.14391	5.0
171.13878	2.7
177.16420	3.9
181.15887	3.6
185.15436	2.2
191.17941	2.5
195.17604	2.5
202.99776	1.6
205.19598	1.7
209.18956	2.3
212.14127	2.0
219.21135	2.4
235.20564	2.1
289.29013	6.1
307.29813	9.5
317.28302	9.0
335.29517	23.7
371.31625	39.6
371.36014	3.3
398.26382	1.9
409.33203	12.2
427.34335	100.0
428.34833	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2115
Annotation	Broussoflavan A
Peak:m/z	Relative Intensity
51.68063	1.0
55.05515	1.1
65.03933	3.2
69.07058	1.2
81.07066	2.1
87.54852	1.2
93.03425	2.1
94.09651	1.1
95.01273	1.2
103.66860	1.0
109.10107	1.0
121.02897	2.7
121.06480	1.4
123.11721	3.1
128.34813	1.0
131.01300	3.3
137.02341	1.5
147.04385	2.7
147.30215	1.0
149.02347	100.0
151.03896	1.5
160.64566	1.1
163.03918	1.2
167.03407	64.4
179.03423	2.4
215.06969	1.5
219.06528	3.7
269.08109	47.5
271.13358	6.5
289.14374	11.2
323.12903	1.3
391.19110	7.1
409.19894	3.5
413.88425	1.3
427.20282	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	427.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08992	0.5
53.03950	0.5
55.01876	3.4
55.05498	1.0
55.98414	0.5
56.09869	0.5
59.92287	0.5
60.15793	0.5
61.64394	0.5
67.07104	0.5
68.99789	2.7
69.03426	0.8
69.07074	0.8
79.01859	1.6
81.03420	2.2
91.05513	0.5
92.99762	0.8
97.02924	0.9
97.10177	0.6
99.00822	1.4
105.07110	0.6
109.02882	0.6
123.00781	1.3
131.08569	0.6
133.06506	2.1
137.02333	3.2
137.06009	0.8
141.01843	6.2
147.08012	0.8
149.02364	4.9
151.07559	0.9
161.05980	0.9
161.09642	1.6
165.01854	100.0
166.02184	1.8
167.03418	8.5
175.11197	1.5
176.22041	0.6
183.02910	38.7
184.03299	0.9
189.12769	5.5
191.03331	2.6
193.04982	10.5
193.08545	0.9
195.08064	1.7
203.07147	0.9
210.09576	0.5
211.09694	1.7
213.09122	3.3
221.08136	3.3
246.71448	0.6
255.06636	0.8
269.08188	2.1
293.71082	0.5
307.15475	1.3
335.13141	0.7
353.13873	61.1
354.14343	1.7
409.20029	4.8
427.21234	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	4.6
56.96570	11.1
69.07060	5.6
79.05506	5.5
81.07044	10.0
87.62472	5.5
93.03415	6.0
93.07036	7.6
94.28373	4.4
95.08563	8.6
98.20724	10.0
106.91302	4.8
109.10157	6.1
114.55326	5.0
141.90083	4.3
147.04356	5.8
149.02345	91.5
161.06006	4.8
163.74615	4.4
167.03409	100.0
232.74425	4.3
269.08084	65.4
279.61255	5.3
371.07605	7.1
391.18546	9.4
409.19907	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	427.2116
Annotation	Broussoflavan A
Peak:m/z	Relative Intensity
51.80019	0.6
65.03944	3.2
66.55502	0.6
70.79279	2.0
81.07058	0.7
90.87930	0.6
91.05460	1.0
93.03410	1.0
100.88244	0.7
106.78606	0.7
107.03307	0.6
111.01349	0.6
119.04952	3.5
121.02844	2.3
131.01277	3.1
138.20410	0.6
147.04417	30.8
149.02348	100.0
150.02722	1.6
151.03981	0.8
153.12750	2.4
167.03409	56.4
168.03732	0.7
269.08093	44.1
270.08499	0.8
271.13272	1.0
289.14386	10.7
328.83282	0.9
338.34845	0.6
391.19064	1.4
409.14639	1.1
409.20129	17.9
427.21292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58198	1.2
56.49691	1.0
68.99791	2.2
69.07069	1.3
70.20313	4.2
71.01286	1.0
81.03428	2.4
81.07043	3.3
83.04959	1.2
91.05504	2.2
93.07027	1.5
107.04958	1.7
109.10156	2.4
119.04988	2.2
123.04382	2.5
123.11697	3.3
131.04935	3.4
134.89610	1.2
137.02344	100.0
147.04431	1.3
149.02342	1.9
151.07594	1.4
159.08186	2.1
161.06033	2.1
163.03893	3.1
165.01917	1.4
165.07016	1.4
167.03426	2.3
167.08557	2.3
171.08031	2.4
173.09692	1.9
181.06499	2.1
183.07979	2.2
185.05969	2.0
195.08026	3.7
199.07559	9.0
206.84158	1.2
211.53960	1.4
213.09167	2.8
223.07535	4.3
225.09195	1.3
227.07037	8.4
241.08580	2.1
251.07106	5.5
263.14288	1.9
269.08047	17.1
273.18524	1.4
281.15488	1.2
299.66150	1.2
307.09470	1.3
340.65109	1.5
391.19095	5.6
409.20203	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	427.1981
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
53.03959	0.5
55.01874	0.5
55.05503	0.4
56.96571	0.5
63.45058	0.3
65.03927	0.5
67.05503	0.6
69.03426	0.7
71.15662	0.7
79.05481	0.6
81.03436	0.4
81.07064	0.5
83.04976	0.5
84.54580	0.3
85.02911	0.7
85.06526	0.3
86.09723	0.3
87.05601	1.7
91.05491	1.6
93.07054	2.4
95.04989	0.7
95.08618	0.5
97.02888	0.4
97.06519	0.3
98.97580	0.6
99.04440	0.4
102.36996	0.3
102.62157	0.3
103.00574	0.3
103.05466	2.7
105.07044	1.7
107.04958	0.8
107.08606	0.7
109.02918	0.5
109.06521	0.5
109.13974	0.3
115.05049	0.9
119.04962	1.3
119.08587	0.4
120.08113	100.0
121.02882	1.2
121.06524	0.9
121.08460	1.4
121.10169	0.5
125.05952	0.3
131.04916	0.5
131.08592	0.9
133.10201	0.5
137.05948	0.4
141.01846	0.5
145.10118	2.0
147.04410	0.5
147.11710	0.4
151.03894	0.4
159.11710	1.1
163.03954	0.3
163.11136	0.8
166.08638	3.2
167.07079	0.9
173.09589	0.8
174.95030	0.3
177.01956	0.7
177.05515	0.4
177.10228	1.1
184.07318	0.5
187.11290	1.6
190.05995	0.5
191.03412	0.4
191.10753	0.8
195.02939	1.1
203.03400	0.6
205.09560	0.3
205.12268	1.4
212.04855	0.4
215.10593	1.5
217.05077	0.4
217.09824	0.7
222.61583	0.3
233.11755	1.2
234.12331	0.5
251.12723	0.5
262.11804	2.5
263.45425	0.3
265.10638	0.5
265.14328	0.5
267.06613	0.4
283.06046	0.7
295.06024	7.0
296.06445	0.7
307.06070	1.0
309.07639	1.7
313.15479	3.0
321.07431	0.3
323.05878	0.4
325.07004	2.1
325.89551	0.3
335.09140	1.0
337.06711	0.7
349.07135	0.5
353.13968	0.4
363.00793	0.3
363.08719	2.5
383.16321	0.4
384.15805	0.4
391.08072	1.8
409.09006	2.2
409.18585	0.5
427.20123	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	427.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.5
55.01874	0.5
55.05503	0.4
56.96571	0.5
63.45058	0.3
65.03927	0.5
67.05503	0.6
69.03426	0.7
71.15662	0.7
79.05481	0.6
81.03436	0.4
81.07064	0.5
83.04976	0.5
84.54580	0.3
85.02911	0.7
85.06526	0.3
86.09723	0.3
87.05601	1.7
91.05491	1.6
93.07054	2.4
95.04989	0.7
95.08618	0.5
97.02888	0.4
97.06519	0.3
98.97580	0.6
99.04440	0.4
102.36996	0.3
102.62157	0.3
103.00574	0.3
103.05466	2.7
105.07044	1.7
107.04958	0.8
107.08606	0.7
109.02918	0.5
109.06521	0.5
109.13974	0.3
115.05049	0.9
119.04962	1.3
119.08587	0.4
120.08113	100.0
121.02882	1.2
121.06524	0.9
121.08460	1.4
121.10169	0.5
125.05952	0.3
131.04916	0.5
131.08592	0.9
133.10201	0.5
137.05948	0.4
141.01846	0.5
145.10118	2.0
147.04410	0.5
147.11710	0.4
151.03894	0.4
159.11710	1.1
163.03954	0.3
163.11136	0.8
166.08638	3.2
167.07079	0.9
173.09589	0.8
174.95030	0.3
177.01956	0.7
177.05515	0.4
177.10228	1.1
184.07318	0.5
187.11290	1.6
190.05995	0.5
191.03412	0.4
191.10753	0.8
195.02939	1.1
203.03400	0.6
205.09560	0.3
205.12268	1.4
212.04855	0.4
215.10593	1.5
217.05077	0.4
217.09824	0.7
222.61583	0.3
233.11755	1.2
234.12331	0.5
251.12723	0.5
262.11804	2.5
263.45425	0.3
265.10638	0.5
265.14328	0.5
267.06613	0.4
283.06046	0.7
295.06024	7.0
296.06445	0.7
307.06070	1.0
309.07639	1.7
313.15479	3.0
321.07431	0.3
323.05878	0.4
325.07004	2.1
325.89551	0.3
335.09140	1.0
337.06711	0.7
349.07135	0.5
353.13968	0.4
363.00793	0.3
363.08719	2.5
383.16321	0.4
384.15805	0.4
391.08072	1.8
409.09006	2.2
409.18585	0.5
427.20123	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	427.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79603	0.6
55.01876	0.9
55.19883	0.5
56.23250	0.5
56.96567	0.6
58.50774	0.6
60.29704	0.5
63.31939	0.8
68.98009	0.6
69.62427	3.3
70.06597	1.8
72.08161	1.5
81.07050	0.6
85.02908	1.5
86.09720	0.9
91.05535	1.1
95.08595	0.8
98.20625	0.6
98.97602	1.4
99.04458	1.0
105.06965	0.6
106.31038	0.6
107.04977	2.1
109.02863	1.5
119.04959	3.6
121.02877	5.9
131.05020	0.7
135.04468	0.9
144.57686	0.7
145.02892	0.9
149.05937	0.6
161.06046	0.7
165.01936	0.6
175.03841	0.7
177.01915	2.9
189.01872	1.6
189.05431	0.8
191.03386	1.0
195.02884	5.2
203.03426	6.2
203.05228	1.3
207.02979	0.8
215.03780	0.6
217.01300	0.7
217.05042	1.2
217.65417	0.6
221.04498	1.8
231.02940	1.0
233.08221	0.9
247.13112	1.1
265.10910	1.4
265.14243	1.2
268.07251	1.1
283.05981	1.5
293.07938	0.9
294.05222	1.1
295.06024	30.3
296.06488	2.1
297.07507	1.2
307.05981	3.8
308.06815	1.8
309.07684	2.3
319.06210	0.8
320.06967	0.9
321.07608	7.9
321.68607	0.8
322.08142	0.7
325.07153	6.0
335.09073	3.5
337.07016	5.3
345.07840	0.9
349.07062	12.7
351.08374	3.1
363.08490	3.1
367.08371	0.9
368.65613	0.6
379.08157	7.1
391.08130	9.6
409.09140	12.9
427.11121	12.3
427.19501	100.0
428.19846	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	427.1942
Annotation	Lactuside A
Peak:m/z	Relative Intensity
50.30834	0.6
52.19841	0.5
55.05498	1.0
67.68768	0.5
69.03411	0.9
77.97660	0.6
81.03391	0.8
81.07037	1.9
85.02895	1.0
91.00759	0.5
91.05446	1.0
93.07026	1.1
95.04974	0.6
98.97543	0.6
104.80795	0.5
105.07001	0.9
105.20999	0.6
107.08542	1.1
109.02869	0.6
109.10130	1.0
119.08580	1.3
145.10101	0.7
147.11737	0.7
149.02361	1.0
151.07521	0.8
165.09001	0.8
185.04236	4.2
221.15154	0.7
241.56929	0.5
265.14124	100.0
266.14304	3.1
301.15009	0.8
304.54016	0.7
328.96121	0.8
392.60837	0.7
427.19415	37.6
428.19678	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1942
Annotation	Lactuside A
Peak:m/z	Relative Intensity
53.28230	0.7
57.30854	0.6
59.37785	0.5
63.77054	0.6
67.05511	1.1
69.07065	0.9
71.04976	0.7
71.55794	0.8
76.94869	0.5
79.05502	1.2
81.03435	0.6
81.07040	1.9
82.36276	0.6
85.02914	1.0
91.05482	1.2
93.07017	1.1
93.70461	0.6
95.04987	1.0
95.08611	1.6
97.02892	0.9
105.07037	1.1
107.08613	1.1
109.10132	1.0
116.60444	0.6
119.08591	1.4
125.09635	0.7
129.06955	0.6
135.08098	0.7
135.11679	0.6
147.04404	1.0
151.07562	0.9
185.04231	4.8
206.31805	0.6
247.13348	0.9
251.11223	1.5
265.14142	100.0
266.14413	1.8
269.12213	1.0
283.13889	2.9
427.19452	51.9
428.19818	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79603	0.6
55.01876	0.9
55.19883	0.5
56.23250	0.5
56.96567	0.6
58.50774	0.6
60.29704	0.5
63.31939	0.8
68.98009	0.6
69.62427	3.3
70.06597	1.8
72.08161	1.5
81.07050	0.6
85.02908	1.5
86.09720	0.9
91.05535	1.1
95.08595	0.8
98.20625	0.6
98.97602	1.4
99.04458	1.0
105.06965	0.6
106.31038	0.6
107.04977	2.1
109.02863	1.5
119.04959	3.6
121.02877	5.9
131.05020	0.7
135.04468	0.9
144.57686	0.7
145.02892	0.9
149.05937	0.6
161.06046	0.7
165.01936	0.6
175.03841	0.7
177.01915	2.9
189.01872	1.6
189.05431	0.8
191.03386	1.0
195.02884	5.2
203.03426	6.2
203.05228	1.3
207.02979	0.8
215.03780	0.6
217.01300	0.7
217.05042	1.2
217.65417	0.6
221.04498	1.8
231.02940	1.0
233.08221	0.9
247.13112	1.1
265.10910	1.4
265.14243	1.2
268.07251	1.1
283.05981	1.5
293.07938	0.9
294.05222	1.1
295.06024	30.3
296.06488	2.1
297.07507	1.2
307.05981	3.8
308.06815	1.8
309.07684	2.3
319.06210	0.8
320.06967	0.9
321.07608	7.9
321.68607	0.8
322.08142	0.7
325.07153	6.0
335.09073	3.5
337.07016	5.3
345.07840	0.9
349.07062	12.7
351.08374	3.1
363.08490	3.1
367.08371	0.9
368.65613	0.6
379.08157	7.1
391.08130	9.6
409.09140	12.9
427.11121	12.3
427.19501	100.0
428.19846	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	427.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79603	0.6
55.01876	0.9
55.19883	0.5
56.23250	0.5
56.96567	0.6
58.50774	0.6
60.29704	0.5
63.31939	0.8
68.98009	0.6
69.62427	3.3
70.06597	1.8
72.08161	1.5
81.07050	0.6
85.02908	1.5
86.09720	0.9
91.05535	1.1
95.08595	0.8
98.20625	0.6
98.97602	1.4
99.04458	1.0
105.06965	0.6
106.31038	0.6
107.04977	2.1
109.02863	1.5
119.04959	3.6
121.02877	5.9
131.05020	0.7
135.04468	0.9
144.57686	0.7
145.02892	0.9
149.05937	0.6
161.06046	0.7
165.01936	0.6
175.03841	0.7
177.01915	2.9
189.01872	1.6
189.05431	0.8
191.03386	1.0
195.02884	5.2
203.03426	6.2
203.05228	1.3
207.02979	0.8
215.03780	0.6
217.01300	0.7
217.05042	1.2
217.65417	0.6
221.04498	1.8
231.02940	1.0
233.08221	0.9
247.13112	1.1
265.10910	1.4
265.14243	1.2
268.07251	1.1
283.05981	1.5
293.07938	0.9
294.05222	1.1
295.06024	30.3
296.06488	2.1
297.07507	1.2
307.05981	3.8
308.06815	1.8
309.07684	2.3
319.06210	0.8
320.06967	0.9
321.07608	7.9
321.68607	0.8
322.08142	0.7
325.07153	6.0
335.09073	3.5
337.07016	5.3
345.07840	0.9
349.07062	12.7
351.08374	3.1
363.08490	3.1
367.08371	0.9
368.65613	0.6
379.08157	7.1
391.08130	9.6
409.09140	12.9
427.11121	12.3
427.19501	100.0
428.19846	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	427.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84232	1.6
55.01879	2.4
56.96570	14.9
70.06593	4.2
71.55091	3.9
85.56087	2.2
86.09701	3.3
98.97598	12.1
107.04973	4.2
109.02863	2.9
110.97563	2.2
114.78011	1.9
116.98611	2.5
119.04965	5.0
119.07027	1.8
121.02862	10.8
123.04468	2.3
128.98579	2.1
139.00635	4.7
150.18724	1.9
157.01755	2.5
169.01646	1.9
169.80658	1.8
175.03879	2.8
177.01883	3.8
189.02040	3.4
191.03561	2.0
193.05325	4.5
195.02968	5.5
203.03439	12.4
205.05426	8.1
207.03198	2.5
211.06459	7.6
219.01762	5.3
221.04692	5.9
222.88350	1.9
223.06407	39.7
225.04366	2.3
237.02864	6.0
241.07555	8.8
247.06454	9.2
261.28964	1.9
265.07492	16.4
265.10483	3.1
279.06671	2.3
283.08481	12.5
294.05109	2.7
295.06027	42.3
307.05951	10.2
308.06845	3.7
309.07654	2.8
321.07620	15.0
325.07178	12.2
335.09195	3.9
337.07016	11.0
349.07013	20.5
351.08755	5.5
363.08658	4.5
367.10815	45.1
379.08081	12.9
391.08096	14.9
409.09189	26.0
427.12985	59.6
427.19342	100.0
428.19806	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	427.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84232	1.6
55.01879	2.4
56.96570	14.9
70.06593	4.2
71.55091	3.9
85.56087	2.2
86.09701	3.3
98.97598	12.1
107.04973	4.2
109.02863	2.9
110.97563	2.2
114.78011	1.9
116.98611	2.5
119.04965	5.0
119.07027	1.8
121.02862	10.8
123.04468	2.3
128.98579	2.1
139.00635	4.7
150.18724	1.9
157.01755	2.5
169.01646	1.9
169.80658	1.8
175.03879	2.8
177.01883	3.8
189.02040	3.4
191.03561	2.0
193.05325	4.5
195.02968	5.5
203.03439	12.4
205.05426	8.1
207.03198	2.5
211.06459	7.6
219.01762	5.3
221.04692	5.9
222.88350	1.9
223.06407	39.7
225.04366	2.3
237.02864	6.0
241.07555	8.8
247.06454	9.2
261.28964	1.9
265.07492	16.4
265.10483	3.1
279.06671	2.3
283.08481	12.5
294.05109	2.7
295.06027	42.3
307.05951	10.2
308.06845	3.7
309.07654	2.8
321.07620	15.0
325.07178	12.2
335.09195	3.9
337.07016	11.0
349.07013	20.5
351.08755	5.5
363.08658	4.5
367.10815	45.1
379.08081	12.9
391.08096	14.9
409.09189	26.0
427.12985	59.6
427.19342	100.0
428.19806	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	427.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44024	0.3
52.30975	0.3
56.61861	0.3
56.96573	0.6
57.03423	0.4
57.04557	0.4
61.39282	0.3
69.03420	0.7
71.05568	0.4
71.05905	0.4
71.09306	0.3
72.08144	0.3
77.49381	0.3
85.02910	0.5
94.03077	0.3
94.04066	1.1
98.97579	0.7
119.04924	0.4
123.06687	1.0
133.05098	0.5
135.05499	0.4
147.04433	0.4
147.12296	0.3
150.07761	100.0
150.25710	0.3
151.08121	0.5
158.99574	0.3
161.61568	0.3
172.18808	0.3
177.05452	0.6
177.38928	0.3
179.03416	0.3
208.00394	0.4
219.89137	0.3
265.04221	0.4
265.07422	0.8
282.11984	0.7
283.04977	2.1
283.08578	0.9
286.03662	0.5
295.06198	0.7
295.11530	18.1
301.05951	2.2
307.08539	0.8
343.07043	0.4
349.07132	0.4
379.08090	0.4
409.09225	0.6
427.09656	3.7
427.19467	13.6
434.45151	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55739	1.2
53.03957	3.1
53.23234	1.3
55.01878	3.5
55.05505	2.9
56.96579	1.8
57.03432	3.3
71.05005	3.0
71.55581	1.6
74.69338	1.3
79.05521	3.3
81.03418	5.3
83.01349	1.6
83.05013	1.4
85.02900	8.3
86.67396	1.5
91.05472	12.9
93.07043	2.3
98.97623	3.0
99.04469	10.7
103.03953	13.4
103.05476	4.0
104.39304	1.6
105.03431	1.5
105.07034	6.0
106.84796	1.4
107.04948	3.2
109.02885	7.5
109.06506	1.6
110.40495	1.2
112.36354	1.4
115.05457	6.8
116.06373	1.7
116.98609	1.8
117.05470	7.8
117.07015	13.2
119.04963	5.5
119.08580	6.6
120.08121	34.7
121.02879	3.9
121.06517	9.5
123.04443	1.4
127.03932	10.2
128.06239	1.9
129.07042	4.2
131.04921	3.1
131.08598	3.0
132.05658	2.8
133.06487	3.4
135.08069	4.1
136.05215	1.5
136.40349	1.4
137.06006	6.5
139.03902	14.9
143.05080	1.3
144.05708	3.3
145.06496	9.2
146.07254	2.0
147.04413	4.1
147.08037	17.2
148.05078	1.6
149.06007	4.3
149.09642	5.0
151.07582	5.3
157.06540	2.6
157.08638	2.7
159.08081	4.5
160.05211	4.2
161.05972	10.4
162.06769	6.3
163.07582	8.0
165.05478	7.4
167.07082	14.1
173.06056	3.1
174.06792	7.1
175.03900	2.1
175.07550	31.7
176.04707	2.7
176.08160	1.5
177.01851	3.4
177.05528	4.9
177.09116	17.4
179.07047	21.0
180.07648	1.3
181.08583	3.6
187.07550	5.7
189.05493	7.0
189.09119	2.8
190.06255	20.0
191.03557	2.1
191.07028	9.5
191.10730	2.2
193.08632	6.1
195.02914	3.8
201.05760	2.4
201.07629	7.5
203.03423	2.3
203.07027	11.2
204.07898	3.7
205.08612	69.1
206.05725	3.0
206.08934	1.9
207.06519	7.5
208.07277	2.0
209.08107	16.2
215.07170	3.8
217.05011	3.5
219.06606	2.3
219.10167	8.4
221.08127	12.7
223.09679	19.2
225.07686	4.7
227.09178	4.0
229.08707	2.0
232.07309	3.1
233.08081	37.5
234.08833	7.9
235.09624	3.8
237.02849	2.0
237.11398	3.0
239.09517	2.4
247.09671	43.5
251.09196	5.3
265.10727	100.0
266.10986	2.0
283.05945	5.1
283.11884	2.7
295.06012	29.5
296.06635	2.6
301.13129	2.1
307.06091	3.6
307.11743	11.4
309.07510	6.1
321.07471	1.5
325.07104	7.3
325.12753	12.7
335.09097	5.5
337.07019	2.3
363.08606	7.1
365.06573	3.3
373.12778	1.8
391.08148	9.6
391.13000	2.5
409.09219	8.8
427.09979	3.0
427.19153	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	427.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32508	1.1
54.49976	1.0
56.96571	10.8
61.59921	1.3
71.20630	1.1
71.35062	1.5
80.78735	1.2
86.24999	1.1
88.56412	1.1
91.05379	1.0
98.97586	9.9
107.04967	5.0
109.02869	2.0
110.97563	3.2
116.98611	2.0
119.04955	2.4
121.02869	4.8
127.00655	1.3
128.98557	1.5
136.00452	1.1
139.00676	4.3
141.02162	1.5
143.00206	1.4
145.02959	1.4
148.15431	1.2
151.00604	1.5
157.01727	1.7
158.99658	1.9
177.01874	3.8
193.05334	5.6
195.02895	6.9
203.03427	9.1
205.05382	6.3
207.03204	2.1
211.06425	4.4
217.05199	1.3
219.01819	4.3
221.04665	3.7
223.06421	28.3
225.04448	2.9
231.02907	1.4
237.02844	4.2
239.05775	1.2
241.07448	7.3
247.06438	9.0
265.07523	13.1
265.10275	2.0
283.08545	7.6
295.06039	34.4
296.06287	1.6
307.05710	1.7
307.08759	1.8
320.06708	1.3
321.07550	11.5
325.06961	2.0
335.09213	3.2
335.53940	1.1
349.07068	19.4
367.10703	32.3
379.08105	4.4
391.08105	8.1
394.91409	1.2
409.09045	10.4
410.90945	1.3
427.13266	79.0
427.19385	100.0
428.13284	3.5
428.19312	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73438	2.1
56.96564	16.5
61.91603	1.8
70.06571	3.2
70.12698	4.0
70.13091	3.4
86.09738	2.1
91.05495	2.6
97.02887	3.0
98.21444	2.5
98.97576	29.1
107.04941	2.3
116.98656	10.8
119.04944	5.4
121.02882	15.7
139.03899	2.6
143.00198	8.6
147.04399	13.0
148.04762	6.4
158.99673	8.5
161.01207	6.7
175.03996	1.9
177.00600	2.9
177.01945	3.5
179.03419	6.0
183.61330	1.7
187.04181	3.0
189.01944	2.1
195.02899	3.8
197.00966	1.9
201.02023	1.8
203.03439	9.2
205.05379	31.3
207.03047	2.2
219.03374	4.3
221.04544	3.5
223.06395	26.1
237.04312	6.0
239.09593	2.3
241.07541	2.3
245.04263	1.9
245.19600	1.7
247.06404	12.0
259.62704	1.8
265.07489	63.0
283.08536	100.0
287.87149	1.9
295.06070	32.2
297.07333	2.8
301.06152	3.9
301.09659	6.2
307.08603	78.5
307.12122	4.2
308.06415	2.1
309.07571	3.7
321.07666	13.5
322.08246	2.9
323.09155	2.4
325.06909	15.5
325.10318	19.1
335.09235	7.4
337.07108	8.2
348.11142	2.2
349.07022	13.5
351.08762	9.1
351.12369	1.9
363.08591	8.0
367.10712	16.7
373.07089	2.1
379.08167	20.2
380.08484	2.3
391.08029	18.2
409.09253	24.7
409.18301	6.2
427.13516	52.6
427.19385	89.4
428.19897	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1028
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
52.96157	1.2
55.01871	2.5
56.96551	1.8
61.62988	1.1
65.03933	1.3
65.96882	1.4
67.05486	2.0
68.99790	5.0
69.47580	3.6
69.48004	5.3
77.03918	2.0
79.05493	1.6
83.04971	1.3
89.03904	1.7
91.05505	1.8
93.03444	1.9
94.00363	1.2
95.04990	1.5
96.00079	1.3
98.97572	2.1
107.04955	2.8
110.97559	1.4
111.04448	3.4
119.04920	1.3
121.02891	2.1
123.03576	2.6
123.04443	46.6
127.03923	3.2
129.06908	1.5
135.04445	14.5
137.06010	1.4
139.03914	100.0
145.02840	2.3
145.06477	1.8
147.04390	4.2
149.02342	1.7
149.05948	1.7
151.03918	7.3
153.06851	1.4
159.04446	3.1
161.05986	1.7
163.03912	23.4
165.05521	3.0
167.03452	8.8
173.05968	2.3
175.03969	7.2
177.05531	6.8
179.03407	8.0
182.26671	1.2
185.05905	2.0
187.03908	4.4
187.07542	1.5
189.05428	1.9
191.03398	9.8
193.04982	7.3
199.03944	1.7
201.05467	5.5
203.03435	15.6
203.05241	2.1
205.05023	1.7
213.05505	2.6
217.05038	3.2
229.04987	7.8
231.06517	1.8
233.04475	4.7
234.96983	6.8
234.98872	1.3
241.04994	2.3
245.04456	10.4
247.06084	18.6
251.05307	1.9
252.97981	7.8
255.06606	6.1
257.04401	7.1
259.06073	17.4
271.05984	3.7
271.89474	1.7
275.05539	14.5
276.97821	1.4
283.06046	16.1
287.05530	50.4
288.05859	1.5
299.05560	2.7
301.07095	11.8
316.69046	1.4
409.09042	7.2
427.10678	7.0
427.19708	16.6
442.54037	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1029
Annotation	Maggiemycin
Peak:m/z	Relative Intensity
55.01627	0.5
55.01878	6.5
57.03441	0.4
61.02918	1.1
65.03936	2.5
67.05511	0.6
68.99800	1.1
69.03434	0.6
69.40841	2.2
70.06588	1.0
71.01357	0.3
72.08157	0.5
79.01913	0.3
79.05486	1.4
81.03426	1.9
81.07059	0.6
83.01347	1.1
83.04984	0.5
85.02909	2.1
86.09717	0.6
87.05587	0.4
91.05481	3.0
93.03404	3.1
93.07042	0.8
95.04974	0.7
97.02877	1.1
98.97575	0.6
102.73281	0.3
103.05474	2.1
105.03388	0.9
105.07040	0.9
107.01350	0.6
107.04968	6.4
107.08643	0.3
109.02879	4.0
109.06496	0.5
111.04446	2.0
115.05466	1.3
117.03402	0.3
117.07016	0.3
118.04152	0.5
119.04095	0.6
119.04945	10.3
119.94872	0.3
120.08115	21.9
121.02873	47.6
121.06509	2.2
123.00813	0.4
123.04453	0.4
127.03900	0.3
129.01788	0.4
131.04948	2.0
133.02840	1.0
133.06071	1.8
133.17104	0.3
135.00833	0.4
135.04440	3.0
137.02344	0.9
137.06039	0.4
139.03943	0.8
141.01830	0.4
143.04904	0.8
145.02859	6.0
145.06487	0.4
146.03642	0.3
147.04414	2.5
149.02371	0.8
149.05965	1.6
151.03926	1.3
153.01820	0.4
155.04903	0.6
157.06490	0.4
159.04422	3.5
160.05191	0.5
161.02335	1.7
161.05998	1.0
163.03905	2.4
165.01848	1.4
167.03439	0.3
168.04190	0.6
171.04404	1.8
173.02336	1.6
173.05984	1.0
174.03113	0.4
175.03908	3.7
176.01067	1.0
176.04613	0.3
177.01843	8.4
177.05487	2.6
179.03407	4.3
179.10616	0.4
181.04939	0.6
181.06520	0.4
183.04439	0.5
187.03943	3.3
188.04770	0.5
189.01846	6.5
189.05475	2.5
190.02583	2.8
191.03392	3.6
193.05028	1.0
194.02213	0.4
195.02908	13.1
195.06567	0.5
197.04449	1.1
197.05981	0.6
199.03899	2.7
201.01845	1.0
201.05455	1.6
202.02545	1.4
203.03400	18.2
204.04176	0.8
205.01222	0.4
205.04947	2.5
205.06497	0.3
207.02896	6.9
208.03632	0.5
209.04456	0.6
211.03920	1.1
213.01851	0.9
213.05379	0.6
215.03395	2.2
215.08684	0.4
216.04173	0.4
217.04973	8.2
219.02939	3.3
219.06381	0.4
220.03546	0.4
221.00945	0.3
221.04433	4.6
221.06305	0.3
223.07657	0.4
225.03949	0.9
225.05772	0.4
226.06383	0.4
227.03397	3.3
229.04991	0.8
231.02899	2.2
231.07983	0.4
233.04442	3.8
235.06055	1.0
236.08473	0.4
239.07086	0.9
241.04915	0.6
243.03053	0.4
243.06548	1.0
245.04451	4.5
247.16855	0.3
249.03983	1.0
251.07178	1.7
252.07866	0.9
253.04929	0.6
253.08536	0.6
254.05836	0.8
255.02957	1.7
255.06369	0.5
261.03781	0.4
263.07132	0.9
263.09958	0.4
265.08334	0.4
265.10843	0.5
266.05783	0.6
267.06522	4.4
267.14929	4.7
268.07324	6.2
268.10239	0.3
269.08069	1.1
269.33066	0.3
271.05939	0.7
273.03958	3.2
276.07883	0.4
277.08652	1.3
279.06512	6.8
280.07303	2.5
280.13049	0.7
281.04587	0.9
281.08139	3.2
282.05206	1.0
283.05978	3.4
284.06696	1.4
289.08597	1.1
291.06421	1.2
292.07236	3.5
293.04846	0.3
293.08044	6.6
294.05304	7.7
294.08752	1.4
295.06033	69.3
296.06760	7.9
297.07559	9.4
304.07376	1.1
305.08072	4.2
306.08844	4.2
307.06061	22.4
307.09576	2.4
308.06784	20.6
309.07541	11.8
310.08136	0.6
313.07077	4.7
317.08066	2.6
318.08893	1.0
319.06107	3.9
319.09659	0.6
320.06799	9.5
321.07587	32.6
322.08347	10.9
323.05505	2.8
323.09149	7.5
324.06296	0.4
325.07071	100.0
326.07419	2.3
327.06573	0.5
329.08118	2.5
331.05930	0.9
333.07550	8.9
334.08337	5.8
335.05722	0.8
335.09143	23.0
336.06265	2.1
336.09836	0.4
337.07071	36.4
338.07538	1.1
339.04950	0.5
339.08630	7.5
345.07581	9.8
347.09152	1.4
348.06247	1.2
349.07077	32.0
350.07669	1.0
351.08643	39.4
352.09006	0.7
353.06476	0.4
353.10358	1.4
355.08142	0.8
361.07056	1.7
362.07928	1.2
363.08636	32.0
364.09015	0.8
365.06415	0.8
366.07132	0.7
367.08139	5.3
373.07062	6.2
379.08142	95.8
380.08362	1.9
381.09732	0.6
391.08136	71.4
392.08505	1.4
397.09052	0.4
399.08606	0.7
409.09201	94.1
410.09451	2.4
427.10315	53.4
427.19180	11.1
428.10648	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1009
Annotation	Maggiemycin
Peak:m/z	Relative Intensity
55.32988	1.5
56.96566	14.8
69.68082	1.5
70.87814	3.5
98.97604	17.5
110.97577	3.7
116.98586	2.7
121.02865	3.0
128.98589	2.0
129.66669	1.6
138.95189	1.7
143.00151	2.3
147.04398	7.5
148.04732	5.4
161.01149	2.4
179.00137	2.3
184.00206	1.9
191.00105	2.3
196.00415	2.3
197.01193	1.6
203.03442	2.5
205.05382	4.6
207.94414	1.9
208.00449	18.7
209.01186	6.4
210.01932	4.1
214.01538	2.3
223.02974	1.8
223.06487	3.8
225.00620	2.1
225.85648	1.8
226.01517	14.6
227.02272	7.9
240.03001	2.8
241.03809	3.8
245.03586	1.7
250.01495	3.9
253.03880	2.1
263.99667	1.8
265.03851	7.7
265.07544	11.0
268.02527	13.5
283.04898	63.1
283.08463	12.7
286.03732	8.0
294.05170	2.0
295.06003	5.4
301.02502	3.2
301.05966	67.7
302.06201	2.5
307.08884	9.2
321.07523	2.7
325.06815	5.0
325.10104	2.3
349.07166	3.1
351.08310	2.3
379.08044	7.5
391.08096	6.3
409.09119	7.2
427.09344	100.0
427.18509	17.7
428.09677	3.0
445.10172	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	426.358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45517	0.9
51.93759	1.0
52.43771	1.0
55.05510	3.2
57.07063	2.4
66.76729	0.8
67.05502	2.3
69.07059	2.6
69.79065	2.3
69.79473	3.7
70.06597	100.0
78.54263	0.9
81.07046	3.2
82.33867	1.0
83.08599	2.7
93.07041	1.7
95.08614	2.6
107.08578	1.6
108.08891	1.0
109.10178	1.2
112.46140	1.1
114.05553	5.6
116.07098	72.0
119.15050	0.9
121.10136	1.6
135.11711	2.1
158.60330	1.0
187.70012	1.0
408.34662	34.4
426.35739	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	426.3944
Annotation	C8 ceramide
Peak:m/z	Relative Intensity
54.24428	0.9
54.53948	0.8
55.05509	3.3
57.07083	12.7
58.06609	15.7
59.68901	1.0
67.05503	2.6
69.03435	4.6
69.07056	2.6
71.08636	10.3
71.32019	0.9
71.32400	1.4
81.07067	6.0
83.08624	3.4
85.10175	4.0
86.06077	100.0
95.08610	7.1
95.33179	0.9
97.10163	3.5
104.07118	68.3
109.10167	3.5
111.11722	1.4
123.11736	1.1
140.33159	0.9
143.82758	0.9
323.33102	2.8
340.54465	1.1
352.35709	1.2
369.61044	0.9
380.38943	1.6
384.91443	1.1
408.38385	55.5
409.38831	1.9
426.39355	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	427.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99871	1.8
70.99860	3.2
71.54494	2.5
77.00886	2.7
81.03408	2.0
82.99868	2.9
91.05505	2.1
97.01404	2.0
98.97559	3.3
101.00890	15.7
103.00652	2.1
109.02864	4.8
110.07211	1.7
113.00879	2.5
115.02420	3.8
116.52468	1.4
117.81734	1.5
118.01124	2.3
119.01932	25.0
119.04927	3.1
120.01986	1.4
121.01706	3.7
123.04426	6.8
127.02371	2.8
129.04022	1.9
131.01920	7.4
133.03479	4.5
135.04410	2.3
139.02391	5.9
139.03894	13.5
142.01137	4.2
143.01942	10.3
145.01666	5.8
145.03531	11.5
147.01376	2.8
147.03326	2.6
147.04390	8.1
155.01865	3.3
156.02715	6.4
157.03482	27.3
159.05124	3.5
160.02225	3.1
161.02959	9.7
163.02684	7.3
163.03906	1.9
167.01868	4.3
167.27496	1.9
169.03467	4.8
171.05066	3.0
173.02979	4.2
175.03038	2.0
175.04527	12.7
177.05467	7.4
181.03459	2.7
183.04973	2.9
184.02148	6.0
185.02966	14.2
187.02670	4.1
191.03462	3.6
195.04971	1.8
197.03040	3.0
199.04553	5.9
201.05981	2.4
203.03911	9.5
205.03816	2.2
217.05606	14.6
221.05144	5.0
235.04532	2.5
235.06631	31.4
237.06139	1.9
245.04984	2.6
247.04839	9.9
253.05171	2.6
253.07695	41.9
257.04507	2.3
259.06482	2.8
262.99371	2.1
265.05930	2.8
271.08701	2.6
275.05563	5.5
277.07733	100.0
278.08054	2.1
283.06174	2.8
287.05627	6.8
291.05478	7.9
293.07312	1.8
295.08838	72.5
296.09055	2.8
301.07007	2.9
303.09268	7.5
309.06693	17.9
315.71475	1.8
318.10330	3.4
321.06775	16.1
321.41791	1.8
335.08255	3.7
339.07767	14.0
381.08936	1.7
391.07489	1.9
409.08337	37.0
427.08951	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	425.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
55.05508	6.3
57.07080	5.0
67.01859	2.9
67.05511	24.1
69.07079	22.0
69.49008	7.0
69.49454	5.6
73.80137	1.7
79.05502	12.5
81.07066	77.0
83.08627	7.1
89.06058	2.0
91.05491	9.8
93.07047	27.5
95.04968	2.5
95.08618	50.1
97.10184	5.7
105.07042	11.3
107.08606	24.5
109.06510	2.0
109.10168	37.0
109.83174	1.5
111.11751	3.4
112.62138	1.3
117.06957	1.6
118.40793	1.5
119.08597	10.0
121.06557	3.5
121.10162	22.5
123.08086	2.1
123.11732	17.1
131.08589	3.1
133.10143	8.2
134.54079	1.5
135.08064	2.2
135.11697	17.7
137.05983	6.2
137.13277	8.8
139.07561	5.0
141.05501	5.5
141.98190	1.7
145.10126	3.8
147.11717	8.9
149.05965	8.0
149.13289	17.1
151.07513	7.5
159.11713	3.8
161.06013	2.1
161.09567	1.8
161.13243	7.5
163.14842	8.1
165.05508	5.1
165.09111	2.5
167.07059	100.0
173.13297	4.0
173.79605	1.6
175.07579	2.6
175.14867	5.0
177.16393	7.2
179.07039	1.9
181.08630	7.3
189.09149	3.6
189.16371	5.9
191.07048	3.2
191.17915	3.5
193.08617	3.9
201.16457	2.4
202.33282	1.6
203.17918	4.3
205.08652	4.4
207.10106	9.5
215.10741	2.8
217.19600	3.1
219.10168	3.7
229.19434	3.4
233.11783	4.0
245.22690	2.2
247.13469	2.3
257.82059	1.7
259.24301	4.4
275.16534	3.3
301.17883	2.0
384.23969	1.8
425.30698	15.2
425.37177	8.4
437.30478	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.61040	2.5
54.80965	2.3
55.05519	13.5
57.07065	7.1
60.01341	2.3
67.05508	32.0
69.06719	4.3
69.07072	46.8
69.52906	19.4
71.04996	6.0
71.08628	2.7
73.71931	2.1
79.05500	19.5
81.07063	100.0
83.08633	14.4
91.05489	15.4
93.07047	47.6
95.08611	77.5
97.10151	8.6
105.07021	31.9
107.08607	53.7
109.10165	74.9
111.11703	6.2
117.87467	2.3
119.08591	32.5
121.10149	50.6
123.11708	32.8
127.11196	14.1
131.08542	7.8
133.10126	22.0
135.11697	40.6
137.13252	21.3
139.11142	2.2
143.08566	3.4
145.10156	20.0
147.11673	26.6
149.13254	30.1
149.27225	2.3
151.14835	3.6
153.12706	3.7
157.10110	5.5
159.11729	14.0
159.12852	2.6
161.13252	18.1
163.14819	10.7
167.07059	30.5
171.11716	2.9
173.13261	16.6
175.14824	19.9
177.16405	21.2
185.13211	3.4
187.14830	12.6
189.16422	14.5
191.17975	13.5
195.17395	3.1
199.14824	3.3
200.30722	2.5
201.16377	9.6
203.17970	10.9
215.17894	12.4
217.19453	8.5
229.19545	11.3
231.21089	7.6
252.19363	2.6
257.22589	5.8
259.24106	6.0
269.22595	5.0
270.71317	2.8
271.24216	3.9
283.24216	4.2
285.25766	6.1
301.25159	3.1
338.73218	2.9
339.30597	3.8
407.36673	10.9
425.31552	4.3
425.37808	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3783
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.36252	5.6
52.24782	5.5
55.05504	18.4
57.07064	5.9
61.95479	7.0
65.07333	5.5
67.05515	30.3
69.07082	38.9
71.05002	9.3
79.05486	24.5
81.07064	100.0
83.08636	15.0
86.06075	18.0
89.06042	10.6
91.05464	19.5
93.07043	44.8
95.08615	72.2
101.71478	5.7
104.07100	10.2
105.07019	38.2
107.08612	59.7
109.10159	70.4
119.08573	31.0
121.10174	57.2
123.11705	26.2
133.10136	29.5
135.11710	38.4
137.13243	12.5
145.10146	17.2
147.11687	31.7
149.13278	21.6
159.11687	17.9
161.13266	16.4
163.14810	17.8
167.07069	29.5
173.13252	15.1
175.14795	16.9
177.16434	19.7
187.14803	15.6
189.16406	15.7
191.17961	12.6
201.16397	13.0
203.17992	12.6
213.16470	7.1
215.17944	11.9
217.19450	10.7
229.19576	8.0
231.21078	7.7
257.22910	8.4
268.07578	6.1
285.25748	8.0
407.36670	24.2
425.21036	9.9
425.37918	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2154
Annotation	Ser Tyr Arg
Peak:m/z	Relative Intensity
54.27465	0.4
55.05499	0.9
56.96575	0.5
60.42497	0.5
67.05483	1.4
69.03453	0.7
69.07079	0.8
69.35458	3.0
69.35865	1.1
70.06587	0.5
79.05507	1.0
81.03437	0.6
81.07064	2.4
85.02908	1.1
91.05461	0.9
93.07046	1.2
93.48761	0.5
95.04974	0.7
95.08614	0.9
97.02857	0.7
105.07018	1.4
107.08597	1.0
109.10166	0.8
111.35330	0.5
119.08599	1.1
119.37275	0.4
121.10173	0.7
127.03918	0.5
133.10143	0.5
135.11676	0.6
143.08598	0.6
145.10188	0.9
147.11786	0.5
151.07523	0.7
151.30533	0.4
158.99612	0.5
159.09921	0.5
161.09540	0.6
163.69833	0.4
165.09149	0.9
167.07011	0.5
203.05167	0.6
216.64754	0.5
245.11600	0.5
245.15222	0.6
263.16153	3.0
271.88663	0.4
361.02640	0.7
407.29340	0.8
425.21490	100.0
426.21841	3.4
429.52493	0.5
443.11685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2324
Annotation	Walsurin
Peak:m/z	Relative Intensity
50.37110	0.7
52.38408	0.7
62.25850	0.6
65.03944	14.5
67.05502	1.8
69.07071	1.9
70.71346	1.2
70.71685	1.0
75.51047	0.7
79.22266	0.9
81.07047	1.0
81.55518	0.7
83.01337	1.5
86.15739	0.7
93.03413	9.4
93.07032	1.2
105.07051	1.1
109.10133	1.2
121.06483	1.3
121.91609	0.7
131.08571	0.8
147.04425	1.3
149.02362	3.4
151.03960	0.7
161.02318	7.7
165.01596	1.0
167.03407	5.4
177.05556	1.2
179.03406	100.0
180.03691	1.5
181.01306	3.7
185.09572	0.9
199.02362	2.0
214.72131	0.7
217.08626	24.8
235.09657	24.1
269.08163	3.9
273.14920	2.8
295.06412	0.9
295.09650	12.8
351.15906	31.4
369.13239	2.2
374.61078	0.8
407.22272	14.2
425.20920	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2154
Annotation	Ser Tyr Arg
Peak:m/z	Relative Intensity
54.27465	0.4
55.05499	0.9
56.96575	0.5
60.42497	0.5
67.05483	1.4
69.03453	0.7
69.07079	0.8
69.35458	3.0
69.35865	1.1
70.06587	0.5
79.05507	1.0
81.03437	0.6
81.07064	2.4
85.02908	1.1
91.05461	0.9
93.07046	1.2
93.48761	0.5
95.04974	0.7
95.08614	0.9
97.02857	0.7
105.07018	1.4
107.08597	1.0
109.10166	0.8
111.35330	0.5
119.08599	1.1
119.37275	0.4
121.10173	0.7
127.03918	0.5
133.10143	0.5
135.11676	0.6
143.08598	0.6
145.10188	0.9
147.11786	0.5
151.07523	0.7
151.30533	0.4
158.99612	0.5
159.09921	0.5
161.09540	0.6
163.69833	0.4
165.09149	0.9
167.07011	0.5
203.05167	0.6
216.64754	0.5
245.11600	0.5
245.15222	0.6
263.16153	3.0
271.88663	0.4
361.02640	0.7
407.29340	0.8
425.21490	100.0
426.21841	3.4
429.52493	0.5
443.11685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1962
Annotation	Abyssinoflavanone VII
Peak:m/z	Relative Intensity
55.01857	1.6
57.47222	0.9
59.88747	1.0
60.83029	0.9
67.01863	4.2
68.99786	3.0
69.07074	25.0
70.71847	1.5
71.04976	1.9
79.05485	1.0
81.07068	1.7
91.05472	1.5
111.00812	1.2
119.04939	3.2
123.04414	2.3
129.07010	1.5
133.06485	3.8
139.03880	3.8
141.06946	1.0
143.08607	2.0
145.06482	2.7
147.04460	1.2
151.03877	1.8
153.01840	100.0
155.08530	1.3
156.09296	1.0
157.06561	1.6
159.04457	3.0
159.08154	1.3
165.01843	13.2
165.06894	1.3
169.10138	1.1
171.02899	6.9
171.04402	2.8
171.08087	2.0
173.09602	1.9
175.11099	1.1
177.01863	1.3
179.03398	14.9
179.08682	1.2
181.06396	1.9
181.10114	1.1
183.02939	3.8
183.08015	1.6
185.06033	1.6
185.09653	3.2
187.11217	3.2
187.36163	0.9
191.10797	1.6
195.08080	4.5
197.06075	2.1
197.09647	3.3
198.06812	1.3
199.07458	2.2
199.11163	13.2
201.05470	4.0
201.12738	3.3
205.12366	1.1
209.06030	1.6
211.07399	1.1
213.09135	3.8
217.12248	3.9
219.06604	2.9
221.09712	1.4
225.09163	2.9
227.07083	3.2
227.10542	1.4
231.10208	4.1
237.07568	1.8
239.10722	2.5
243.10223	1.7
249.09186	2.0
251.07065	3.2
255.06467	2.0
255.17409	1.2
263.06918	1.4
263.65134	1.1
267.06564	3.8
273.18524	3.0
279.06482	10.3
280.07297	1.1
283.13303	4.4
285.07553	2.5
287.10550	1.8
291.06424	1.6
297.07648	8.1
299.16470	3.8
305.11569	1.6
307.09717	1.4
309.11401	1.1
317.08057	1.5
318.08960	1.3
333.11234	23.3
335.12732	6.2
339.12387	2.4
351.12296	42.5
353.13849	9.6
357.13397	8.0
369.13361	43.7
407.18808	3.1
425.19666	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	425.1962
Annotation	Lonchocarpol D1
Peak:m/z	Relative Intensity
55.01857	1.4
55.05507	4.4
55.18032	1.2
56.96565	2.7
57.03432	1.3
61.02898	1.4
65.03938	4.0
67.05505	9.5
69.03442	2.1
69.07086	6.3
71.04989	1.9
72.68842	1.1
73.02881	1.3
75.62804	1.1
79.05496	6.8
81.03429	2.8
81.07063	16.3
83.04967	1.2
83.08624	2.5
85.02895	2.7
91.05507	9.6
93.03397	3.8
93.07056	4.9
95.01337	1.4
95.04980	2.8
95.08604	7.6
97.02865	1.6
97.06542	1.8
98.97599	2.3
103.05487	1.4
105.07014	6.5
107.04957	3.4
107.08606	8.0
109.06529	5.2
109.10159	9.1
119.04956	16.0
119.08595	3.4
121.02890	2.1
121.06532	1.3
121.10191	5.6
123.04435	1.4
123.11714	14.3
127.03883	1.6
131.01297	3.2
131.04909	3.0
131.08583	1.5
133.02744	1.8
133.06451	1.2
133.10126	5.4
135.04475	1.4
137.02353	21.3
137.94838	1.2
139.11133	1.4
143.08594	2.5
145.10141	2.7
147.04422	47.0
147.08057	3.4
147.11705	1.7
149.02350	96.5
151.03937	1.3
151.11214	2.8
158.99669	2.1
161.02327	1.8
161.09540	1.4
161.13319	1.6
163.03902	15.4
165.01855	9.4
165.09123	4.6
167.03412	90.5
169.10219	1.6
171.08124	1.3
175.04016	6.3
175.11157	2.2
177.05496	5.8
179.03413	15.1
181.01271	3.0
181.04970	1.9
183.02927	2.1
187.04007	3.6
189.05437	3.2
191.07074	2.4
199.07455	1.6
201.05569	2.0
203.07112	2.1
205.04968	3.0
213.05496	2.5
215.06989	2.1
217.08545	1.5
227.07050	32.1
227.12889	1.8
229.08728	1.2
241.08623	2.0
245.11841	1.7
257.04514	4.7
257.08087	17.0
259.13364	3.6
269.08136	31.5
269.11771	30.5
283.09671	2.5
285.07608	2.8
285.10416	2.2
287.12811	50.9
293.08041	2.8
295.09671	1.5
297.11142	1.3
299.09149	3.3
305.13916	6.9
307.09729	7.4
321.11261	3.7
325.10773	2.1
329.11786	1.3
333.11313	1.7
345.11404	2.4
346.11957	1.5
347.12778	13.7
379.18982	2.8
389.17505	72.1
390.17712	1.6
407.18591	52.1
425.08539	4.3
425.19638	100.0
425.24710	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	425.196
Annotation	Abyssinoflavanone VII
Peak:m/z	Relative Intensity
51.69611	0.6
52.09014	0.7
65.03930	1.0
67.01852	1.3
68.99809	3.3
69.07077	5.9
71.59123	0.6
79.05479	1.5
81.07059	7.5
87.97239	0.6
91.05483	1.1
93.07043	1.0
95.08607	1.1
98.21516	1.8
103.05466	0.6
105.07006	1.3
107.04952	1.6
108.52652	0.7
109.06520	7.7
115.05421	1.0
117.07013	1.3
119.04917	1.4
121.02837	1.0
121.06500	0.9
123.04462	1.0
123.08083	2.0
131.04942	1.4
133.06488	2.1
135.04405	1.6
137.02362	0.9
139.03838	1.1
145.06480	2.2
147.04417	1.1
149.02370	8.1
149.05965	1.6
151.07553	0.9
153.01849	25.7
157.06525	0.7
159.04454	2.4
159.08064	0.9
163.03909	0.8
163.07553	0.9
165.01857	10.3
167.03421	5.3
171.02933	1.2
173.06053	0.9
176.04691	1.4
177.01852	11.8
177.05487	5.6
179.03416	5.2
183.02899	3.2
185.09590	1.0
187.11243	0.9
191.03374	1.7
191.07021	2.3
195.06544	2.3
199.11145	2.2
201.05458	3.7
204.04276	1.4
204.06586	0.6
211.07545	0.8
213.09091	0.9
217.12169	0.8
219.06548	100.0
227.06985	0.9
231.06537	0.9
231.10098	1.3
237.07564	4.2
238.12320	0.8
267.06387	1.2
269.08151	2.5
279.06558	2.4
283.13361	0.8
297.07626	2.6
305.13885	0.8
309.11124	0.7
333.11212	7.1
335.12726	0.8
351.12308	9.8
353.13876	4.6
357.13425	2.0
365.17624	1.2
369.13406	9.9
407.18585	10.3
425.19635	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	425.1961
Annotation	Lespedezol D6
Peak:m/z	Relative Intensity
55.01875	1.3
55.05507	2.8
56.96571	2.1
65.03930	4.1
67.05508	4.9
68.03711	1.0
69.03416	1.1
69.07067	3.6
69.31299	6.6
69.31711	2.3
79.05482	3.7
81.03407	1.4
81.07067	5.6
82.70572	1.0
85.02898	1.3
91.05489	3.4
93.03413	2.4
93.07038	3.6
93.70406	1.0
95.04975	1.2
95.08593	3.3
105.07030	3.1
105.15177	1.0
107.08601	3.5
109.10168	6.3
118.96249	1.1
119.04926	2.8
119.08566	1.2
121.02849	4.1
121.10146	1.3
123.11699	3.4
129.15869	0.9
131.01300	3.7
133.06483	1.5
133.10156	1.4
135.11684	2.2
137.05984	1.5
147.04407	11.0
149.02345	78.6
151.03893	2.4
158.59560	1.1
161.02304	2.1
163.03917	4.8
165.01830	9.3
167.03410	100.0
170.37383	1.2
175.03951	1.7
181.01352	7.1
181.04991	1.2
183.02971	1.7
184.13306	1.0
187.03827	1.5
189.05490	1.5
191.07039	4.4
191.86992	1.2
200.83995	1.0
207.06526	1.3
215.06975	2.5
219.06549	4.3
220.06889	2.6
237.40620	1.0
267.06564	2.2
269.07990	1.6
269.11490	1.2
271.13266	7.2
281.08145	4.9
285.07578	52.4
289.14349	9.7
297.07904	1.2
321.11639	1.5
339.12204	3.8
349.14154	1.3
389.17499	2.4
407.18594	8.8
425.19717	7.3
425.25623	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	425.1962
Annotation	Lonchocarpol C1
Peak:m/z	Relative Intensity
52.07388	1.8
53.03950	1.9
55.01877	4.6
61.00237	1.9
65.03954	3.0
67.01862	2.3
68.99796	5.3
69.03423	1.8
69.07074	21.7
69.89497	9.7
79.05511	2.4
81.03423	4.7
81.07060	5.9
85.06531	2.4
91.05506	6.3
97.02902	3.2
103.05485	2.4
105.07053	5.1
107.08560	2.4
107.41525	1.9
108.79416	2.0
109.02886	3.4
109.06515	2.8
109.10160	5.8
117.07011	2.4
119.04218	1.8
119.04932	8.9
121.02842	3.4
121.06596	2.3
121.10164	2.0
128.06163	1.9
131.04961	4.1
133.06506	6.8
135.08086	6.2
137.02351	8.3
139.03888	4.7
141.01839	4.3
143.08595	3.1
145.06500	4.4
147.04442	11.8
149.02341	33.5
151.03984	2.1
153.01840	52.7
155.08633	2.9
157.06551	2.9
159.04449	6.0
159.08121	4.5
161.06013	5.2
163.03958	5.6
165.01849	100.0
167.03430	34.9
169.10132	2.1
171.08049	3.8
173.06000	3.0
173.09686	7.1
175.11226	2.3
177.01862	13.0
177.05518	5.8
179.03389	15.6
181.01245	4.0
181.06587	2.6
181.10167	2.7
183.02890	25.2
184.08942	2.3
187.11209	4.3
189.01901	4.7
189.05502	4.3
191.03453	4.5
191.07121	2.3
193.05013	2.6
195.02895	9.0
197.09689	6.1
198.76460	1.8
199.11203	12.6
201.05435	2.8
211.07552	10.5
213.05525	2.3
219.06525	19.2
221.08017	4.0
224.44054	1.9
227.06978	4.9
231.06599	11.8
235.07874	2.3
237.07648	8.7
239.07028	3.1
239.10637	3.3
249.07401	11.2
265.12283	3.0
267.08676	7.9
269.08069	6.6
285.07693	4.6
287.13083	11.1
291.10132	3.9
299.09125	2.5
303.06302	2.4
305.11658	3.2
309.11343	2.5
311.09164	5.0
311.12592	2.3
315.10254	2.5
317.08148	2.4
318.08743	2.9
325.10739	3.5
333.11252	47.4
334.11594	2.3
339.12338	3.0
351.12296	49.6
369.13272	21.8
389.17453	3.9
407.18564	23.4
425.19604	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1962
Annotation	Lupiniol A1
Peak:m/z	Relative Intensity
51.39988	1.9
53.03929	3.6
59.04993	2.2
65.03938	5.4
67.05508	3.2
68.99822	2.2
69.03424	6.2
69.07056	2.8
70.06902	9.6
71.04986	4.9
79.05498	4.6
81.07034	3.9
91.05483	11.0
93.03406	3.6
93.07037	4.2
97.10149	3.2
102.67451	2.2
102.94349	2.0
103.05375	1.8
105.07045	5.8
107.01348	2.1
107.04929	3.3
107.08598	4.4
109.02895	13.4
109.10130	4.5
119.04951	18.6
121.02869	6.4
121.06527	4.6
121.10174	2.4
125.09634	5.9
127.11174	2.6
128.06172	2.2
129.06992	2.8
131.01286	2.8
131.08537	4.1
133.06519	4.2
133.10176	3.6
137.02341	4.4
143.08621	2.9
143.10684	10.2
145.02557	1.9
147.04420	52.3
147.08047	4.6
149.01161	5.0
149.02354	100.0
151.11147	5.1
153.01891	13.0
159.08080	3.5
161.02325	5.6
161.05910	3.9
161.88028	1.9
163.03899	8.7
165.01889	3.5
167.02010	3.0
167.03413	61.2
167.80566	1.9
169.06508	4.4
171.08003	4.1
173.05965	2.8
177.01793	4.4
179.03412	3.6
180.09271	2.2
184.05244	2.2
187.03880	2.5
187.07596	2.3
189.05428	3.2
191.03336	2.5
191.06905	2.1
195.02910	89.3
199.07552	3.0
211.07487	2.5
213.05341	2.5
215.07033	37.0
217.08603	5.1
221.08067	7.0
227.07066	7.8
233.08107	71.2
239.07074	3.1
248.96460	2.5
249.07527	9.6
257.08124	6.2
269.08087	36.3
269.11728	49.8
283.09647	3.8
287.12802	25.0
293.08035	5.6
297.07599	18.7
305.13773	3.4
311.05399	3.2
335.12756	7.6
347.12576	2.3
349.14319	4.1
351.12344	3.8
353.13971	17.1
389.17499	44.5
390.17923	3.5
407.18573	49.2
408.19006	2.1
425.15225	7.6
425.20700	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	425.196
Annotation	nymphaeol B
Peak:m/z	Relative Intensity
53.03965	0.6
55.01863	2.4
59.05775	0.5
68.99784	1.9
69.03413	0.9
69.07085	0.6
79.01842	0.7
79.54207	0.5
81.03429	1.6
81.07054	1.8
88.02306	0.5
91.05441	0.5
92.99790	0.8
97.02899	1.3
98.21545	1.0
99.00803	1.2
99.08101	1.3
105.07022	0.7
109.06512	2.1
109.89291	0.5
123.00777	1.7
127.07552	1.3
133.06502	2.0
137.02339	4.0
141.01843	4.3
149.02364	1.1
153.01840	4.8
153.05495	0.7
160.45667	0.6
161.09622	1.1
163.03961	0.7
165.01845	100.0
166.02144	0.9
167.03441	5.5
175.11224	1.2
177.01883	2.9
177.05481	1.4
183.02899	21.9
189.12718	5.0
191.03442	2.7
191.07079	0.6
193.04962	8.0
195.06436	0.8
195.08086	1.8
213.09151	2.0
219.06538	12.6
237.07590	26.0
241.89363	0.6
311.12927	0.7
330.84058	0.6
353.13846	51.8
354.14191	0.7
407.18579	2.2
425.19748	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	425.1963
Annotation	Lonchocarpol D
Peak:m/z	Relative Intensity
55.05487	0.1
57.03431	0.1
65.03936	0.2
67.05508	1.0
69.07058	0.5
69.90263	0.7
70.40893	0.1
79.01852	0.2
79.05479	0.4
81.03406	0.4
81.07064	0.8
83.08623	0.2
91.05489	0.6
93.07017	0.2
95.01356	0.8
95.08632	0.3
105.07008	0.3
105.40459	0.1
107.04940	0.2
107.08604	0.5
109.02877	0.2
109.06531	0.2
109.10159	1.1
119.04947	0.4
121.06468	0.2
121.10152	0.3
123.11713	0.3
131.01239	0.3
133.10139	0.2
137.02361	1.1
147.04417	1.2
147.08035	0.3
149.02354	3.4
151.03976	0.2
151.07561	0.2
151.11214	0.2
153.01913	0.2
160.91063	0.1
163.00273	5.0
163.03912	0.6
165.01846	100.0
166.02191	0.8
167.03412	3.4
177.05556	0.2
179.03375	0.3
180.98975	0.2
181.01332	11.9
183.02902	14.1
187.03915	0.3
189.05545	0.3
191.07047	0.3
219.06631	0.4
220.06882	0.2
227.07085	0.5
243.06630	0.2
243.10179	0.3
257.08057	0.3
269.08118	1.5
269.11655	0.6
281.07993	0.2
285.07605	18.2
286.08060	0.3
287.12799	2.4
299.09036	0.2
307.09653	0.2
349.14417	0.2
389.17422	1.2
407.18405	0.7
425.19629	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1963
Annotation	Kuwanon E
Peak:m/z	Relative Intensity
55.01870	2.5
65.03934	2.2
67.01854	2.1
67.05505	4.8
68.99794	3.0
69.03437	1.3
69.07064	2.6
69.20522	0.7
70.94411	1.6
71.27227	0.7
74.93161	2.7
79.05495	2.5
81.03417	1.1
81.07075	6.1
91.05486	4.9
93.03444	1.0
93.07063	3.7
95.08620	3.7
97.02920	0.8
103.05505	1.6
105.07055	2.1
107.04955	1.9
107.08601	2.1
107.10673	0.7
108.80322	0.7
109.06511	0.8
109.10176	7.8
111.00795	1.0
115.05434	1.3
115.18712	0.7
119.04942	3.0
119.08585	1.2
121.02898	1.7
121.06494	1.0
121.10182	1.9
123.04425	2.1
123.11710	5.5
124.08682	0.9
125.02348	1.1
127.11249	0.9
128.06174	1.0
131.01288	1.8
131.04939	1.9
131.08524	1.8
133.06516	5.8
136.93138	1.7
137.02356	2.5
139.03903	1.5
144.05667	1.1
145.06502	2.3
147.04411	8.7
147.08041	0.8
149.02351	33.0
151.03931	1.8
153.01840	100.0
154.94128	0.9
157.06459	1.6
159.04456	1.5
159.08023	2.3
161.06075	0.8
161.09651	0.8
163.03883	1.9
165.01811	4.0
165.07008	1.7
167.03423	28.1
169.06488	2.4
171.02921	3.1
171.04378	1.1
171.08067	2.4
172.86328	1.1
173.06044	5.1
179.03404	14.7
183.02861	1.4
183.08107	0.7
187.07561	4.6
189.05351	1.2
190.87392	2.3
194.97302	2.6
197.05963	4.2
199.07515	2.4
201.05516	2.3
208.88496	3.2
211.07605	1.2
212.98329	0.9
213.05586	1.2
213.09372	1.1
215.07065	4.6
217.08694	1.2
221.06067	4.5
226.89508	1.9
227.07117	1.0
229.08609	1.1
230.94920	1.7
233.08121	9.5
239.07106	1.1
239.14195	1.5
243.06580	1.3
248.91582	1.7
248.95972	1.0
249.05432	1.6
257.08176	1.0
266.92670	1.9
267.06522	15.6
269.08102	13.8
269.11182	1.3
271.13367	2.3
281.15173	0.9
285.07672	11.2
287.12717	5.0
299.08969	1.3
309.11304	1.1
323.09106	2.2
349.14206	2.2
351.12195	6.4
367.07877	1.0
389.17557	2.1
395.07709	0.9
407.18558	14.8
425.12372	5.8
425.19629	6.9
425.28271	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.8
53.00325	0.3
55.01868	0.5
57.03439	0.8
67.01577	0.4
67.01875	4.2
68.99450	0.6
68.99797	8.8
69.03426	0.7
69.07082	1.8
79.01865	3.7
79.05464	0.3
83.01350	33.1
84.47405	0.4
85.02877	0.4
92.48114	0.4
95.01342	0.7
97.02888	1.4
105.07030	1.4
106.82254	0.3
107.01321	2.5
107.04970	0.4
116.00764	0.4
125.02380	1.3
131.04958	0.5
131.08562	0.9
133.06497	9.7
135.00758	1.8
147.07990	1.5
151.07558	1.6
153.01830	6.6
159.04425	0.5
159.08034	0.6
161.09599	0.7
163.00276	0.5
163.03879	0.6
167.08707	0.4
169.01413	1.0
171.08063	0.4
173.09738	0.5
175.11217	1.3
179.03424	1.5
181.01335	100.0
182.01678	1.0
183.02878	5.1
189.12769	14.6
195.02913	0.7
195.08049	2.1
199.02399	53.7
200.02646	0.6
207.02960	2.4
209.02499	0.3
209.04449	9.3
213.09109	3.5
215.10712	0.4
222.04189	0.5
235.06081	2.1
237.07578	4.3
271.06036	0.7
295.05945	0.6
313.07031	1.3
322.42676	0.4
369.13367	51.2
370.13715	1.5
425.19595	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	425.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.6
59.40574	0.9
67.01873	3.7
67.05502	1.4
68.99801	9.5
69.03429	1.4
69.07071	6.7
69.76443	6.4
79.01865	4.6
79.05499	2.4
81.07066	2.2
83.01353	37.2
91.05505	5.7
93.07085	1.8
97.02898	1.7
103.14521	1.1
105.07057	2.1
107.01338	2.8
107.04984	4.0
107.08624	1.6
109.10182	1.3
119.04973	10.3
119.08602	1.4
121.06506	8.2
121.10165	1.2
125.02491	1.1
133.06522	4.9
135.00787	1.2
135.08076	1.4
137.02376	1.9
138.42110	1.2
141.01839	1.2
145.10152	1.7
147.04428	34.7
147.08046	1.5
149.02361	9.2
149.06056	1.2
151.07549	2.7
153.01857	8.5
163.03935	2.0
165.01857	21.5
167.03429	11.6
169.01346	1.4
171.02962	1.8
175.11345	1.2
177.05481	3.0
179.03424	2.1
181.01341	100.0
183.02905	10.7
189.05473	1.9
189.12788	7.0
193.04973	2.7
195.02942	3.0
199.02402	94.1
205.04994	7.6
207.02940	3.0
209.04509	3.3
219.06552	2.4
223.05949	1.3
231.06583	6.5
235.06059	2.5
237.07607	4.8
249.07675	2.8
259.05978	1.4
269.08148	2.6
287.12799	1.6
301.07086	64.0
305.13907	1.7
307.09814	2.7
313.06580	1.3
325.10733	7.0
343.11890	3.3
351.12256	7.0
357.13373	4.1
369.13391	32.4
407.18451	1.5
414.57071	1.2
425.19397	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1961
Annotation	Isonymphaeol B
Peak:m/z	Relative Intensity
52.05692	0.8
53.03953	1.2
55.01880	4.9
59.04999	1.2
65.03934	2.0
67.01860	0.9
68.99783	3.2
69.03421	2.0
69.07078	5.1
70.79427	1.9
79.01841	1.1
79.05485	1.1
80.56757	0.7
81.03416	3.7
81.07055	0.9
91.05480	1.6
92.99779	1.0
93.03376	0.9
93.07066	0.9
97.02899	2.4
99.00826	1.5
107.04958	1.8
107.06131	0.7
109.02862	1.9
109.10168	2.4
119.04987	1.0
121.02902	0.9
121.06517	2.7
121.64469	0.6
123.00858	2.1
123.04435	1.0
123.96618	0.8
131.01312	1.7
131.04953	1.2
133.06477	6.9
135.08038	1.6
137.02335	6.1
137.05956	0.9
139.03906	2.4
141.01851	5.5
145.06477	2.2
147.04439	3.7
147.08022	1.6
149.01151	1.7
149.02351	31.3
151.03920	0.7
153.01843	17.1
155.08591	0.8
157.06454	1.2
159.08072	2.1
161.02341	1.0
163.03905	3.0
165.01848	100.0
167.03413	37.3
169.10101	0.9
171.02831	1.2
171.04349	1.0
171.08086	1.2
173.09660	3.0
177.01823	10.2
179.03397	6.5
183.02901	29.3
183.04543	1.5
183.08069	1.3
185.04489	1.4
185.09601	1.1
187.11214	7.8
189.05478	3.9
191.03438	5.5
193.04968	2.2
195.02910	12.3
199.11267	1.0
203.07097	1.0
207.06543	2.1
207.08238	0.9
211.07556	8.2
213.09174	1.9
219.06616	3.9
221.08032	7.4
231.06525	6.8
233.08113	2.4
247.09697	1.3
249.07526	9.0
267.08621	1.0
267.39783	0.8
269.08102	7.3
281.08307	1.1
283.09525	0.7
291.06613	1.0
297.07684	2.6
299.09265	0.8
309.11139	1.8
323.12589	0.8
333.11261	4.6
339.11917	1.3
351.12305	34.5
352.12732	1.0
353.13760	2.1
365.13730	1.0
369.13330	22.1
407.18634	5.6
425.19568	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	425.196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
55.05483	1.0
59.05032	1.0
65.03930	1.9
67.05499	7.0
68.99781	2.8
69.07050	3.6
69.81618	0.9
70.04655	3.7
71.04971	0.9
79.05492	2.9
81.03417	1.8
81.07060	10.6
83.81876	0.9
91.05480	4.1
93.03407	0.9
93.07046	1.9
95.08614	1.9
96.49078	1.1
98.20795	1.1
105.07023	2.8
107.04968	1.9
107.05740	0.9
107.08544	1.5
109.06509	8.6
109.09475	1.2
109.10165	20.0
115.05445	1.1
117.07056	1.8
118.99462	1.0
119.04929	7.5
121.02867	1.8
121.06487	2.0
123.08136	1.1
127.11204	1.6
133.02849	1.9
133.06509	1.8
135.04454	2.1
135.08049	2.8
137.02354	2.7
141.01865	1.6
141.19427	1.0
145.06505	3.1
147.03242	1.1
147.04410	22.9
149.02351	28.2
149.05986	1.5
151.07521	1.5
153.01828	3.6
159.04413	2.0
161.02345	10.9
161.06001	1.2
163.03970	1.7
163.07468	0.9
165.00536	2.0
165.01854	26.7
167.03401	17.4
173.05933	1.4
176.04706	1.1
177.01840	14.1
177.05460	7.5
179.03401	3.8
183.02937	6.7
183.28999	0.9
189.01807	3.1
189.05505	2.4
191.03465	2.1
191.06987	1.7
195.06505	3.1
201.05435	4.7
219.06529	100.0
220.06938	1.2
231.06566	10.1
237.07610	6.7
245.08034	1.1
249.07683	3.2
263.07068	6.1
269.08069	8.7
269.10825	1.5
269.11710	1.3
281.08105	30.8
281.11322	1.4
285.07446	1.8
287.12643	2.5
305.13947	1.4
351.12204	5.3
353.13846	4.3
365.17529	1.6
389.17477	2.8
407.18469	9.8
425.19666	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	425.196
Annotation	Lupiniol A1
Peak:m/z	Relative Intensity
53.03960	0.8
55.01867	4.0
55.05508	1.8
56.96544	0.9
59.04981	1.2
63.60913	0.7
65.03922	2.0
67.05495	2.5
68.99796	2.9
69.03420	1.8
69.07069	1.8
70.59403	2.1
71.04997	0.9
73.52490	0.7
79.01846	1.8
79.05492	3.1
81.03414	2.0
81.07070	4.3
91.05486	6.6
92.99725	1.1
93.07046	1.7
95.04974	1.1
95.08597	1.6
97.02884	1.2
99.00806	1.3
99.08101	2.0
105.07024	3.7
107.04971	3.5
107.08604	1.0
109.06527	2.9
109.10146	1.2
119.04943	9.8
119.08601	1.3
121.06503	1.7
123.00817	1.3
125.17387	0.9
128.06229	1.8
131.08553	2.7
133.06480	5.5
133.10089	0.8
135.04375	1.1
137.02356	4.2
141.01846	4.8
141.07011	1.0
143.08536	2.0
145.06514	0.9
147.03232	1.3
147.04414	25.7
148.04733	0.9
149.02332	5.0
151.07483	1.1
153.01839	7.6
155.08521	0.9
159.08029	1.8
161.06000	2.9
161.09605	1.6
165.01846	100.0
166.02124	0.8
167.03397	8.5
167.08577	1.2
169.06477	2.0
171.08031	4.8
173.06070	0.9
175.03833	0.9
175.11124	1.3
177.01823	1.3
177.05432	1.6
179.03404	6.9
179.08508	1.1
180.09325	1.2
183.02904	35.1
183.08067	0.8
185.09596	0.9
187.07448	1.3
187.11240	0.9
189.05591	0.7
189.12737	5.6
191.03416	3.4
193.04984	9.2
195.06503	1.3
195.08067	2.5
197.05975	1.6
199.07607	1.7
208.08867	1.7
211.07576	1.0
212.48453	0.9
213.09093	3.0
215.07036	8.9
219.06567	6.3
226.09789	1.0
227.07066	1.9
227.10674	0.8
227.12770	0.8
233.08119	3.1
235.09612	1.2
237.07587	30.7
238.08049	1.0
251.10773	0.7
269.08627	1.6
269.11740	34.0
272.61655	0.8
285.07690	1.7
287.13019	3.9
297.07797	0.8
305.13910	0.9
315.18011	0.7
335.12659	3.6
337.14438	1.5
351.12100	1.6
353.13846	71.0
354.14401	1.6
369.13068	1.0
389.17496	19.5
407.18658	5.0
425.19696	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	425.1961
Annotation	Abyssinoflavanone VII
Peak:m/z	Relative Intensity
55.01867	4.2
55.05495	1.5
55.09060	1.3
59.05001	1.3
64.49819	1.3
65.03937	2.6
67.05500	5.2
67.17728	1.2
68.99789	12.8
69.03434	3.1
69.07068	3.4
69.44354	11.2
73.57746	1.5
79.05490	3.4
81.03404	1.8
81.07052	6.3
83.04989	1.5
91.05476	3.0
93.07072	3.6
95.08617	3.1
99.00816	1.9
99.08095	1.6
105.07043	4.3
107.04959	2.8
107.08553	1.5
109.02931	1.8
109.06548	6.9
109.10161	3.8
119.04987	3.8
121.02869	3.0
121.06507	2.4
123.00835	2.1
123.04425	1.6
123.08070	11.1
123.11702	3.5
130.00079	1.4
133.06506	5.5
135.04453	4.4
137.02344	6.3
141.01814	3.0
145.06490	3.2
147.04382	8.3
149.01347	1.5
149.02289	8.2
149.06010	3.0
151.07567	8.8
153.01839	21.9
153.02995	1.8
153.05464	2.6
159.04361	2.0
161.06009	2.3
163.03911	2.3
163.07555	2.4
165.01840	90.5
167.03432	8.1
173.05983	3.2
177.01848	14.4
177.05443	8.5
179.03394	12.2
183.02902	25.3
189.12689	2.7
191.03442	2.2
191.07063	4.2
193.04971	5.3
195.02960	1.9
195.06590	2.1
195.08218	1.7
197.05928	1.3
215.07016	3.4
219.06534	53.2
219.08574	3.0
237.07593	100.0
238.07910	1.8
267.06540	4.1
269.08160	1.8
269.11740	9.0
285.07648	3.1
316.76331	1.6
347.34891	1.7
351.12427	2.2
353.13870	24.2
389.17285	4.5
407.18555	19.6
425.19589	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	425.196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
65.03959	1.5
67.01850	2.7
67.05488	2.0
68.99783	6.1
69.03429	1.8
69.07072	8.7
69.45744	4.3
69.46159	7.1
91.05488	2.6
98.21592	1.8
105.07047	3.7
107.08475	1.4
119.04939	5.9
123.04449	3.0
129.07028	2.4
131.01260	1.8
139.03877	3.1
141.06987	2.1
143.08546	3.6
147.04332	1.9
149.02359	20.9
151.03883	2.4
153.01839	100.0
154.07787	1.9
155.08556	4.7
159.08043	2.7
163.03885	5.0
165.01817	9.3
166.07806	3.4
167.03426	9.6
169.10112	2.2
171.03000	1.7
171.08040	2.5
173.09676	9.7
177.83836	1.5
178.07724	2.0
179.03387	18.9
179.08560	3.5
181.10127	6.4
182.07253	2.6
183.02921	1.6
184.08864	2.9
185.09685	1.7
195.08095	2.8
196.08850	2.0
197.06018	2.4
197.09639	6.3
199.11168	22.1
207.08102	2.3
221.09720	3.0
225.09132	7.2
235.07564	1.9
239.10658	6.4
245.09608	4.0
249.09142	3.9
251.06821	2.4
263.10709	4.3
267.06442	2.5
281.11722	2.7
285.07581	9.2
287.10669	5.5
289.08472	2.3
290.09448	2.7
291.10089	4.5
301.08557	3.7
303.06369	1.9
305.11591	3.8
307.09567	2.0
315.10162	6.0
317.08057	6.9
318.08832	10.3
333.11243	92.5
338.04404	1.7
351.12256	49.6
407.18460	7.2
436.66418	1.8
449.96478	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1962
Annotation	Lonchocarpol C
Peak:m/z	Relative Intensity
55.05519	2.2
56.96570	2.6
65.03951	4.3
67.05508	8.7
69.07062	5.2
69.36500	12.8
76.57863	1.3
79.05498	4.6
81.03459	1.6
81.07060	12.4
91.05490	7.2
91.06062	1.4
93.03408	2.3
93.07043	5.3
95.01340	2.2
95.04997	2.1
95.08613	4.9
98.20787	2.6
98.21442	3.1
98.97601	3.1
105.03400	1.5
105.07069	6.1
107.04961	3.3
107.08612	8.1
109.06581	2.2
109.10164	11.0
114.25276	1.3
115.05415	1.5
119.04967	11.7
119.08627	2.7
121.02885	2.8
121.10148	2.9
123.11720	6.1
128.06241	1.7
128.30283	1.3
129.07004	1.6
131.01331	4.5
131.04961	2.3
131.08617	1.8
132.26489	1.4
133.10179	2.6
137.02354	8.9
139.04012	1.5
143.08516	2.8
147.04424	44.1
147.05518	2.7
147.08124	1.6
149.02354	100.0
151.03903	2.7
151.11201	3.3
157.10165	1.6
163.03929	14.5
165.01959	4.8
167.03412	74.4
171.08134	1.4
175.03958	4.5
175.11191	2.2
177.05528	5.9
178.31642	1.6
179.03424	29.8
179.04907	2.1
181.01431	1.8
181.05128	2.1
187.03983	4.1
189.05571	5.1
191.07024	2.5
201.05568	2.4
203.07089	1.7
205.05098	3.3
213.05618	4.1
217.08635	2.3
227.07043	32.4
229.08669	3.6
231.06517	7.7
241.08696	3.9
257.08081	7.7
263.12595	11.8
269.08218	32.3
269.11847	33.8
281.12518	1.7
283.09967	1.6
287.12787	27.7
289.05408	9.6
293.08203	2.2
295.09482	1.6
297.11630	1.7
299.09207	7.4
300.14581	1.6
305.13895	7.7
307.09686	9.3
325.10773	2.5
333.11203	1.9
347.12811	11.6
347.39893	1.7
349.14584	4.1
389.17517	71.5
390.17935	1.7
407.18616	27.6
425.19690	73.6
425.25232	7.6
426.19946	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	425.196
Annotation	Lonchocarpol C
Peak:m/z	Relative Intensity
55.05504	4.6
60.80719	2.4
65.03936	11.8
67.05516	11.7
69.03448	2.8
69.06754	2.5
69.07068	13.2
70.66420	4.3
73.94638	2.6
76.34927	2.3
79.05492	13.2
81.07075	11.6
83.04993	2.7
83.65522	2.4
91.05482	24.9
93.03427	10.8
93.07063	6.9
102.44457	2.7
103.05520	6.4
105.03401	5.2
105.07060	10.6
107.01398	2.8
107.04954	24.2
107.08598	5.2
109.10187	8.9
115.05471	10.5
117.07024	12.0
119.04958	24.6
119.08574	4.7
121.02908	6.6
121.06533	5.8
121.10153	3.9
128.06238	29.5
129.07014	47.7
129.07922	4.1
131.01314	4.9
131.08598	7.7
133.02863	2.7
133.06570	6.6
137.02419	6.7
139.05466	4.4
141.06966	3.9
143.08635	2.9
145.06505	8.1
147.04410	67.0
147.08055	5.2
149.02351	100.0
153.01825	12.8
157.06505	31.8
159.08043	4.2
161.02356	15.5
161.06009	6.3
163.03963	7.2
163.07547	6.4
165.01985	3.3
167.03416	75.5
167.04716	4.1
169.06506	5.2
171.04469	8.4
171.08040	3.3
173.05989	4.9
175.03949	4.1
175.07591	4.3
177.05516	7.2
179.03409	54.8
181.08598	12.5
183.08220	3.1
185.06003	32.9
187.07578	8.0
189.05615	4.5
193.06447	3.1
195.04408	20.3
197.06018	3.9
199.07628	2.8
201.05551	8.5
203.07008	21.3
205.05019	9.5
213.05476	31.2
215.07108	10.5
217.08661	11.7
219.06351	3.6
221.08122	16.0
222.04443	2.7
226.09961	2.9
227.07056	4.6
231.06528	60.6
233.08110	19.3
235.09720	7.8
249.07585	30.2
251.09204	2.7
267.06552	3.9
269.08188	34.2
269.11804	43.9
269.14343	4.2
281.08163	8.4
285.07642	2.9
287.12820	44.4
305.13885	3.3
307.09860	6.9
321.11362	3.6
325.07248	4.9
325.10773	41.9
333.11185	20.3
335.12784	4.7
351.12286	71.8
353.13870	3.9
389.17456	26.6
407.18567	94.2
408.18411	4.0
425.19644	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1808
Annotation	Ainsliaside B
Peak:m/z	Relative Intensity
51.30186	5.1
53.03946	9.3
55.05523	9.3
56.50420	5.1
69.03430	24.6
70.06588	9.6
81.03407	6.1
81.07049	7.3
83.04970	39.2
85.02921	9.5
91.05484	8.6
93.07076	10.7
95.08610	11.4
97.02899	13.2
97.06528	5.2
98.97594	10.9
99.04456	16.9
105.07021	12.6
107.08598	14.1
107.37775	5.2
107.57426	5.6
109.02878	22.1
111.04413	7.0
115.10532	5.1
119.08592	13.6
121.06588	8.2
124.31101	5.6
127.03918	17.3
129.07013	13.8
131.08629	9.8
133.10155	6.0
135.08047	73.4
142.07819	9.2
143.08575	16.5
145.10138	8.7
147.08028	8.8
149.09663	12.0
153.07071	8.2
155.08517	13.8
156.09355	19.4
157.06372	7.2
157.10152	12.6
158.07286	6.9
159.08086	14.0
159.11752	7.6
161.05968	5.4
165.07005	6.6
166.07779	9.4
168.09329	9.5
169.06578	7.2
171.08061	12.2
171.11707	14.6
172.08838	12.1
173.09528	11.2
173.13310	6.4
176.05479	5.2
181.10153	10.6
183.11685	13.8
184.08865	16.4
185.09618	17.3
187.11241	27.4
199.11205	58.7
201.12721	8.2
203.10657	32.1
209.09669	14.5
212.08290	18.0
215.10690	86.1
217.12186	14.0
227.10657	52.9
233.11725	34.2
245.11739	100.0
263.12823	19.2
371.14960	9.6
425.12344	9.2
425.17657	40.6
425.22678	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	425.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85765	2.6
53.03949	14.5
55.05500	9.4
56.96558	3.1
57.03425	4.5
57.07057	9.7
61.02918	6.9
67.05502	14.9
68.99782	5.4
69.03086	2.7
69.03436	39.4
69.07066	13.3
69.52061	10.2
69.52480	7.9
71.04978	9.4
71.08627	27.8
72.08971	12.8
73.02912	3.9
74.94720	2.5
79.05065	4.5
79.05499	66.4
81.03420	46.7
81.07059	26.5
83.04981	14.9
83.08611	4.4
84.08114	2.4
85.02442	2.9
85.02911	47.9
86.03238	3.8
87.00823	12.3
91.05487	23.4
93.06484	4.3
93.07046	71.6
95.04953	9.3
95.08615	18.4
97.02888	19.6
97.06529	15.6
98.97549	2.8
99.04477	12.6
99.07484	4.1
99.08096	55.1
100.08427	23.5
103.05446	2.6
105.01862	8.8
105.07026	18.0
107.04939	9.7
107.08600	27.4
109.02879	33.4
109.06501	6.3
109.10122	3.6
110.03226	2.7
111.08097	2.5
117.07053	6.6
119.08588	12.0
121.06503	14.0
121.10149	7.9
123.11737	2.5
125.06026	22.2
127.03921	69.4
131.08571	10.6
131.59767	2.4
133.10138	21.4
135.08046	7.7
135.11697	100.0
137.05879	3.9
137.09641	2.8
139.07547	14.2
143.07187	3.2
143.08530	6.8
145.04936	7.1
145.10091	9.2
147.11659	7.9
149.02386	3.3
149.09590	3.8
149.13284	12.7
151.07570	5.8
153.09027	3.6
157.10146	4.1
159.02873	4.6
159.08055	5.6
159.11688	11.3
159.13811	21.1
160.14136	16.9
161.09608	5.8
163.07584	3.7
169.10168	3.8
171.11676	2.9
173.13159	3.3
174.03270	2.4
175.11191	6.0
177.05397	4.8
177.12770	20.9
183.11662	5.0
185.13300	2.7
189.12784	5.1
195.12061	3.8
195.13762	18.7
203.97316	2.9
211.11015	2.8
213.03880	13.1
231.04988	5.3
235.13164	4.5
262.10550	2.7
263.16330	2.9
278.38467	2.7
285.14862	6.1
287.05515	2.9
374.64948	3.2
407.16879	10.7
425.21695	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	425.1808
Annotation	Ainslioside
Peak:m/z	Relative Intensity
52.82814	4.1
53.03941	7.5
55.05502	14.7
59.54495	4.1
65.30404	4.1
67.05494	4.6
69.03434	18.5
69.26787	3.8
70.06583	5.3
79.05488	5.8
81.07067	6.7
83.04988	42.9
86.09721	4.0
91.05517	9.4
91.21420	4.7
93.07042	5.9
95.04939	11.0
97.02901	14.4
97.06572	6.6
98.20729	8.9
99.04467	14.7
105.07043	9.4
107.08601	11.7
109.02878	18.6
109.06547	4.5
119.08573	10.8
121.06451	7.1
121.10198	5.5
123.04418	6.3
124.88753	4.1
126.30199	4.6
127.03909	13.0
129.07036	10.0
131.08600	5.4
133.06450	7.7
133.10127	5.3
135.07111	6.7
135.08064	63.0
141.06981	8.1
142.07770	8.3
143.08571	15.7
146.06046	6.4
147.08008	10.1
149.09633	6.9
153.06956	10.2
154.07750	5.1
155.08586	9.6
156.09364	14.1
157.10114	10.9
158.07301	8.8
159.08060	13.6
159.11714	10.5
165.07069	6.6
166.07716	8.2
168.09337	10.5
171.08031	15.2
171.11714	11.8
172.08786	10.2
173.09578	17.9
175.07541	6.7
181.10118	10.7
183.11676	11.5
184.08940	9.8
185.09657	16.6
187.11224	20.4
189.12688	7.8
197.05843	6.5
199.11218	58.4
203.10651	27.5
209.09624	12.5
212.08304	16.1
215.10670	100.0
217.12169	10.0
227.10648	71.7
233.11717	27.0
245.11734	99.1
263.12881	22.3
311.05457	4.3
328.79971	4.4
336.15088	4.8
344.03006	5.6
371.14734	11.9
425.17331	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	425.181
Annotation	Ainsliaside B
Peak:m/z	Relative Intensity
53.03951	10.2
55.05508	12.2
56.96552	7.5
62.33374	5.4
69.03433	20.4
69.59026	36.9
79.05498	7.3
81.07056	9.9
83.04987	47.8
85.02905	15.0
85.69125	4.7
88.84621	4.7
89.40087	4.7
91.05472	7.6
92.83018	5.0
93.07027	12.5
93.99430	5.1
97.02917	18.2
97.06542	6.3
98.21410	8.2
98.97615	7.2
99.04456	18.6
105.07018	11.4
107.08607	8.9
109.02880	19.8
119.08560	13.4
121.06520	5.9
122.51813	5.1
125.31416	5.7
127.03952	21.9
131.08592	10.8
135.08069	69.7
141.07036	8.4
142.07806	9.3
143.08595	18.9
145.10092	10.7
147.08025	12.9
149.09624	14.3
153.06937	10.3
155.08551	15.7
156.09361	20.2
157.10153	16.4
157.28438	5.8
159.08044	16.3
159.11742	13.3
161.09642	5.5
166.07803	10.3
168.09389	15.2
169.06390	6.1
169.10280	6.6
171.08076	17.8
171.11722	18.8
172.08777	6.5
173.09627	27.0
175.07678	9.5
181.10086	10.1
183.11696	12.9
184.08858	18.2
185.09579	16.0
187.11227	21.5
189.09099	5.7
199.11220	62.8
203.10645	35.8
209.09702	9.1
212.08382	20.3
215.10715	98.0
217.12233	12.7
227.10680	69.6
233.11755	32.0
237.08011	11.7
245.11745	100.0
263.12674	32.1
281.07101	7.0
323.08105	5.5
371.14905	16.6
425.12088	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	13.7
58.08092	6.6
58.40758	6.8
60.98979	6.1
63.40796	5.8
67.05501	18.7
69.03431	16.8
70.06567	10.4
70.68785	6.2
71.05018	9.7
71.55689	11.1
78.96050	6.7
79.05502	24.8
79.36259	6.5
81.03416	18.1
81.07050	13.9
83.04978	29.7
84.08139	8.6
85.02898	20.8
91.05488	16.1
93.07047	22.8
95.04989	11.1
95.08622	17.2
97.02914	9.2
98.97584	8.0
99.04475	12.6
102.30083	8.6
103.03954	10.9
105.07030	21.4
107.04940	8.9
107.08593	10.7
109.02885	32.4
109.06532	10.1
109.10124	11.2
111.04399	11.0
111.08094	7.6
114.51173	5.7
119.08562	11.8
121.06542	9.6
121.10143	14.4
125.06004	8.6
125.64294	7.3
127.03955	32.6
129.07010	7.5
131.08565	15.3
133.06447	10.6
133.10158	15.3
135.08072	61.1
135.11687	14.5
137.13214	6.2
139.40117	7.7
149.09689	9.2
156.09399	14.3
159.08070	8.5
159.11728	15.9
161.09584	7.3
163.11246	8.2
171.08076	12.2
171.11684	13.1
173.09639	26.1
187.11206	12.6
199.11232	22.3
203.10698	15.0
209.09624	8.2
212.08365	10.2
215.10747	39.8
217.12236	10.3
227.10684	35.5
233.11810	40.1
237.08026	8.2
245.11757	70.0
263.12738	38.8
317.01648	7.1
338.04382	7.5
405.14322	8.7
425.16089	60.6
425.21484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.2
56.04599	0.9
56.96560	1.5
57.95230	0.8
59.04994	1.8
64.78957	0.8
65.79305	0.8
67.05499	3.9
69.03408	0.9
69.07054	2.1
69.80441	3.2
69.80852	1.3
79.05499	3.9
81.03403	1.1
81.07061	12.5
83.08630	1.5
85.02857	1.2
86.68339	0.9
91.05470	2.5
93.07029	2.1
95.08603	4.8
97.06549	0.9
98.97608	1.2
101.00893	2.2
101.79430	0.9
105.07050	2.1
107.08607	1.3
109.06561	1.0
109.10165	2.8
119.01913	3.9
119.04924	1.0
119.98248	0.8
123.06358	0.8
133.10121	1.4
139.12909	0.9
143.01884	2.0
147.04405	1.4
147.11725	1.0
149.02377	2.8
150.06738	1.2
151.07594	1.1
157.03470	1.2
161.02957	2.4
161.09589	1.0
167.03346	3.0
185.04280	1.3
187.00856	1.4
190.90114	0.9
191.07060	0.8
227.05260	1.4
229.02003	1.1
243.04839	1.0
245.06398	5.5
269.07800	1.2
271.04156	1.5
273.65503	0.8
287.03635	4.2
289.05319	16.5
302.58359	0.9
339.17737	2.6
377.11539	1.0
381.18857	27.7
425.17822	100.0
426.18134	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	425.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
56.96568	2.1
57.03416	1.4
67.05493	3.3
69.03433	3.3
69.07055	1.9
69.39265	6.7
71.04952	1.1
72.89444	0.9
79.05495	3.8
81.03426	1.3
81.07072	11.6
83.04968	1.2
84.08141	1.0
85.02897	4.1
86.49279	0.9
91.05490	2.9
93.07037	2.8
95.04967	1.6
95.08628	5.8
97.02866	2.0
98.97590	2.9
105.07040	3.0
107.08588	2.3
109.02850	1.2
109.10152	2.5
115.03931	1.3
119.08549	1.2
123.11669	1.1
129.06900	1.1
132.45253	0.8
133.04971	1.1
133.10112	2.2
135.11659	1.2
137.13240	1.7
138.99197	0.9
145.10123	1.7
147.04416	2.3
149.02350	9.2
158.99664	1.3
159.11606	1.1
161.05913	1.3
165.09070	1.4
167.03394	9.4
176.01718	0.9
177.05432	1.2
203.05351	1.2
245.06407	4.8
263.12579	13.9
269.08154	5.3
289.05316	100.0
290.05713	1.4
305.13721	1.0
389.17505	2.2
425.17807	15.6
425.25061	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	425.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74507	0.7
56.96572	2.1
59.15813	0.8
65.12195	0.8
67.52016	1.0
68.99792	1.7
70.06609	1.3
70.78519	1.7
84.85619	0.8
91.05481	1.6
96.57678	0.9
98.97591	2.3
104.51967	0.8
107.04965	1.0
110.07217	2.0
120.08092	1.7
121.02934	1.1
123.04409	1.0
135.04370	1.6
137.02339	1.1
139.03914	12.4
147.04413	3.2
151.03981	1.1
163.03964	2.3
175.03906	1.8
177.05540	1.2
179.03401	1.4
189.05537	1.1
193.05019	4.2
203.03436	4.0
217.05067	1.4
221.03081	1.4
221.05234	1.0
229.05064	1.1
239.02319	1.7
245.04510	7.8
257.04520	6.0
258.05072	1.5
263.05310	1.2
287.05515	15.1
299.05469	3.1
311.05536	2.3
337.06891	1.1
341.06393	5.4
365.05450	6.8
367.13638	15.3
379.08157	2.8
407.07693	5.3
425.09210	15.5
425.17844	100.0
426.08774	1.0
426.18204	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	425.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.3
56.37697	0.9
56.96551	1.5
59.04991	1.7
59.07516	0.9
62.64661	0.8
67.05495	3.5
69.07072	2.2
70.69920	1.7
70.70265	1.7
79.05480	2.6
81.07064	9.8
83.08601	1.2
85.02928	2.2
89.49942	0.8
91.05481	2.4
93.07054	2.2
95.08609	3.7
97.06549	1.1
101.00883	2.6
105.07024	1.9
107.04906	0.9
107.08602	1.4
109.10180	2.7
113.22544	0.8
119.01963	3.0
119.04971	1.8
121.06481	1.0
123.04404	1.1
133.10152	1.9
137.05937	2.1
143.01872	1.9
143.24710	0.9
147.04393	1.3
147.11668	1.1
149.02353	3.8
161.02951	1.7
167.03406	2.9
187.00916	2.2
203.05325	1.2
219.80800	0.9
227.25423	0.9
243.04868	2.0
245.06422	5.1
269.08041	1.2
271.04309	1.1
287.03766	3.5
289.05350	17.1
339.17725	2.6
377.11581	2.5
381.18930	27.4
425.17838	100.0
426.18011	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	425.1787
Annotation	Piscrocin F
Peak:m/z	Relative Intensity
53.63683	0.5
55.29271	0.5
56.96555	1.4
57.38768	0.5
64.19681	0.5
65.72007	0.5
69.03432	0.8
70.06583	1.9
70.87785	1.0
72.08130	0.5
73.02922	0.5
79.05479	0.5
81.07062	1.0
85.02891	2.0
87.11004	0.5
91.05476	0.4
93.07040	0.5
95.04991	0.6
95.08601	0.5
97.02914	0.6
97.06500	0.5
98.97562	2.3
105.07037	0.7
105.41083	0.4
107.04958	0.7
107.08595	0.5
116.98596	0.7
119.08595	0.9
121.10136	0.6
123.11693	0.5
125.09679	0.5
127.03902	0.4
133.10153	0.7
136.07594	0.5
137.02328	0.8
147.04451	0.6
158.99648	0.6
161.13252	0.6
163.03944	0.6
203.03450	1.1
205.08334	0.7
210.15848	0.5
218.55812	0.4
219.01810	0.8
236.09360	0.4
237.08081	0.5
245.04625	1.5
257.04404	1.1
263.12711	1.1
287.05670	0.5
311.05463	1.5
313.06830	0.6
323.05450	1.1
337.07089	0.9
341.06543	6.1
355.09201	0.5
367.13660	18.5
379.08130	1.2
407.07672	2.4
425.08508	3.7
425.17859	100.0
425.69650	0.5
426.18472	1.9
434.18237	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1421
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
55.64098	0.7
56.96567	1.5
70.06578	0.8
70.78659	0.8
70.78975	1.4
79.37074	0.7
81.14474	0.8
91.05461	2.0
95.63360	0.9
98.97572	2.4
107.04939	1.1
110.97552	1.8
135.04469	1.0
137.02359	1.6
147.04424	0.9
160.35486	0.7
164.77861	0.8
179.03752	2.0
197.04790	2.7
203.03476	0.8
219.01733	1.1
223.06398	1.4
237.02777	1.5
248.08308	0.7
263.09042	1.2
281.10651	0.9
308.06741	0.9
311.05508	2.0
323.05258	2.0
336.06281	1.0
341.06415	4.1
351.08362	1.5
353.06342	1.2
365.06390	1.5
379.07993	3.2
407.07635	8.9
425.08588	8.7
425.14117	100.0
426.14465	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06586	3.4
71.15404	2.3
84.08141	1.5
85.02895	1.2
86.09697	1.6
116.01679	0.9
122.20099	0.9
145.10210	1.0
147.11600	1.0
263.09637	1.3
295.06122	1.9
342.77829	1.1
379.08661	1.2
425.15723	100.0
426.16071	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	425.157
Annotation	Eprosartan
Peak:m/z	Relative Intensity
56.25374	0.8
61.89362	0.8
69.74954	5.2
70.06587	2.1
70.70190	0.8
74.06069	0.8
86.09689	1.5
98.97591	2.0
104.09549	0.8
107.54668	0.8
146.05994	1.8
199.10747	0.8
228.14635	0.9
253.13443	0.9
260.75351	0.8
263.09387	1.3
281.10690	2.3
374.52917	1.0
425.15689	100.0
426.16101	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	425.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67467	1.1
56.96294	2.1
56.96573	34.3
69.03445	1.4
69.48980	6.6
69.49388	2.0
70.06607	1.4
70.98140	1.8
81.03431	1.5
81.07071	1.3
81.76881	1.2
84.08130	2.1
84.96046	6.0
85.02899	2.5
86.09742	1.6
89.53704	1.2
91.05476	1.9
97.02909	2.7
98.20734	2.5
98.97592	34.2
98.98203	2.2
101.00935	1.4
110.97572	11.7
112.99146	2.3
116.98631	9.8
117.03367	2.9
119.70963	1.3
123.04475	1.9
128.98615	12.2
134.99648	2.8
135.04398	2.8
137.02338	1.6
139.03920	5.0
140.98682	1.6
143.00183	6.8
145.02849	4.0
146.99660	4.8
147.04463	3.8
154.27457	1.2
155.01903	1.3
158.99686	4.5
161.01175	6.6
163.03920	6.8
170.99699	3.6
175.03871	1.4
177.00739	4.0
177.02174	1.8
177.05467	5.4
189.00714	2.6
191.00125	3.2
193.05034	1.5
194.97417	1.4
195.03281	4.0
201.00662	2.4
201.05620	1.3
203.00201	2.2
203.01874	3.4
203.03630	2.6
213.04440	4.1
219.01775	9.8
221.01146	9.1
221.03001	46.7
221.05159	2.9
237.00719	2.0
237.02846	16.3
237.95499	1.6
239.02196	25.3
239.03934	2.9
245.04524	4.1
250.01633	1.4
251.02327	2.9
257.03424	7.4
259.04599	2.3
260.04037	1.3
263.01871	1.9
263.04239	4.0
269.03143	6.2
271.04590	1.3
271.58633	1.4
277.05762	1.8
281.03186	2.8
287.05432	3.9
289.05719	3.1
299.04080	5.3
311.05457	2.5
311.09225	1.3
317.14453	1.3
323.05478	2.6
337.07074	1.6
341.06708	6.2
343.99619	3.0
347.06216	19.8
365.05447	100.0
366.05911	3.7
379.08136	5.2
383.07281	9.8
389.06903	1.6
406.08530	1.9
407.07602	8.7
425.08307	12.5
425.17822	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	425.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87323	0.9
71.18779	2.3
82.99866	2.4
97.02918	1.4
98.96935	0.9
101.00889	20.7
109.02917	1.1
113.00865	4.9
119.01924	20.7
125.00958	1.0
127.02442	2.8
131.01894	5.9
137.02980	1.0
139.02379	2.7
143.01904	40.5
145.03476	10.1
147.01405	1.5
155.01917	18.1
157.03479	7.1
161.02962	40.3
167.01917	12.0
169.03505	4.0
171.04965	1.3
173.02980	17.0
179.01932	6.2
185.02975	34.0
187.04585	2.4
191.04047	3.3
193.23643	0.9
197.02977	11.6
203.04002	14.7
209.03052	1.2
215.04033	5.9
221.05009	1.2
227.04076	7.4
245.05095	100.0
246.05348	1.3
257.05045	4.8
263.06143	21.8
263.08829	1.5
264.06720	1.0
275.06097	11.7
293.07153	2.8
305.07129	9.0
335.08374	3.1
365.09384	5.3
394.84229	1.0
403.63046	1.0
425.11316	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	425.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24842	7.9
52.20551	8.7
53.19699	8.3
56.96557	22.7
70.06583	10.6
70.58954	31.5
83.69813	9.9
88.02467	9.3
98.97607	22.1
101.00876	43.3
104.16405	9.4
115.50926	8.6
119.01917	40.4
143.01930	68.4
145.03473	21.0
155.01820	13.5
161.02995	57.2
167.01956	10.0
173.02995	21.5
185.02962	27.3
200.44690	8.8
203.04036	14.4
215.03990	12.5
245.05060	100.0
251.04405	11.6
263.06149	25.3
269.05621	19.0
305.07288	18.2
398.56702	10.8
425.04559	17.0
440.84219	11.3
443.83521	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	425.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88802	2.0
56.96298	3.8
56.96573	66.2
58.47533	2.0
68.99793	2.2
70.92232	1.8
70.98094	2.0
71.54959	3.0
71.95284	3.6
72.54205	1.8
84.96033	14.4
88.37558	1.9
97.02895	2.0
98.97597	100.0
107.05006	1.9
110.97581	23.4
111.00836	2.7
112.99180	5.5
116.98637	41.5
117.03329	2.7
119.08572	2.3
123.04469	2.5
128.98605	22.7
131.00171	5.9
132.98141	2.5
134.99710	11.4
135.04454	5.7
139.03909	15.1
140.98579	2.8
143.00183	15.3
144.98064	3.4
145.02817	4.3
146.99681	10.5
147.04463	4.4
149.01260	2.7
152.98586	2.3
158.99643	10.5
161.01259	20.8
162.99065	2.5
163.03973	2.9
170.99680	8.3
175.03850	3.3
177.00726	14.5
177.05531	7.0
179.02158	4.7
179.03592	2.2
182.99707	2.2
189.00699	4.9
189.04350	3.2
191.00067	2.6
193.01797	2.5
193.05028	3.7
195.03319	4.0
198.28645	2.4
201.00757	9.1
203.00229	3.5
203.03548	7.2
217.05026	2.7
219.01782	43.3
221.01198	5.2
221.03006	6.8
229.04929	5.6
236.00015	2.4
236.99020	2.3
237.02846	42.7
239.02290	39.8
242.03487	2.3
245.04445	15.2
251.02301	8.7
252.68478	2.1
257.03207	18.7
263.05368	4.4
267.00244	2.9
269.03302	11.0
271.05957	2.9
275.05359	2.1
281.03479	3.9
287.05554	25.8
293.03357	7.7
299.05466	4.8
307.04968	2.7
309.02747	4.6
311.04657	3.1
317.03412	8.0
341.06531	5.7
347.05295	2.7
365.05499	30.2
366.06091	3.5
379.07996	5.3
383.06604	18.9
401.07748	4.4
407.07617	7.4
425.07901	64.4
443.08731	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.5
55.01865	2.1
55.05505	4.1
55.68783	1.3
57.03434	3.2
61.02925	3.0
67.05491	4.0
69.03134	1.5
69.03441	15.0
69.07066	3.0
69.48628	10.5
71.04985	2.8
71.08639	45.0
73.02911	1.5
73.30371	1.4
79.05492	2.6
81.03423	7.6
81.07051	6.4
83.08630	4.6
85.02916	25.1
87.00838	11.8
91.05461	2.1
93.07011	2.6
95.08622	2.4
97.02902	12.1
98.59206	1.3
98.97625	1.9
99.04449	5.5
99.08103	100.0
100.11269	2.5
105.01891	9.8
109.02856	6.5
123.11739	10.0
127.03932	16.0
131.50485	1.4
135.11748	2.6
141.12759	15.2
145.04956	6.0
151.30360	1.4
159.02902	2.3
159.13815	52.4
214.00453	1.4
304.44336	1.8
423.84256	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23373	9.6
54.58762	9.4
55.05511	21.5
55.93528	16.0
56.96565	34.7
62.25121	10.8
64.21621	11.2
67.05518	11.3
69.03415	38.2
69.03777	9.4
69.34910	100.0
70.06586	18.8
70.54990	9.0
71.04965	16.5
74.36187	9.5
79.05465	13.7
80.08866	11.5
81.03374	12.1
81.07075	29.2
83.04990	14.3
83.08617	17.0
84.08146	25.0
85.02904	31.0
91.05488	13.9
95.04957	25.5
95.08603	23.8
97.02858	22.7
98.21567	22.1
98.97585	67.0
104.07113	17.5
105.07043	21.8
107.04927	13.3
107.08600	20.4
109.02843	13.8
109.06506	22.6
109.10171	29.9
116.98629	35.5
119.08573	17.3
121.10139	30.5
123.08060	32.6
124.07626	19.1
128.98602	18.0
133.10127	35.4
135.11635	15.8
136.07556	17.7
137.09630	13.5
139.03903	29.3
139.11176	14.0
140.05937	10.5
145.02806	19.7
145.82538	13.6
147.04405	31.7
147.11702	17.2
149.13159	13.4
151.11171	14.5
153.70911	10.3
158.99713	33.4
163.03859	15.8
165.05539	9.4
165.09131	23.4
173.13269	21.0
177.00746	14.5
177.05441	23.4
191.14299	24.3
192.05370	13.9
205.12047	12.1
209.15395	75.8
212.06989	13.2
219.01698	14.6
221.07542	49.5
231.11169	12.3
237.02887	16.6
245.04672	15.4
262.10797	15.0
265.11182	31.8
283.11960	15.8
334.15298	15.2
424.07776	12.8
425.17899	76.9
441.14380	16.6
445.17566	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2168
Annotation	3,9-Dihydroxy-1-methoxy-2,8-diprenylpterocarpan
Peak:m/z	Relative Intensity
50.11576	0.4
55.01876	1.2
56.66759	0.4
63.72072	0.5
65.03931	1.5
67.27557	0.4
69.29640	3.6
79.05492	0.9
81.07064	1.1
91.05485	4.7
93.03391	1.3
93.07021	0.9
93.65841	0.4
95.01286	0.4
98.76030	0.4
103.05466	0.6
105.03379	0.4
105.07040	2.6
107.01308	1.1
112.14669	0.5
115.05484	2.7
116.06254	1.3
117.07020	2.1
118.04195	0.5
119.04960	0.9
119.08585	5.9
121.06474	0.5
123.00740	0.6
128.06212	1.0
129.07008	2.1
131.08571	5.2
133.02846	0.5
133.06503	4.5
141.07018	5.1
144.05696	0.8
145.06488	1.3
147.08025	1.9
153.01843	1.2
159.08067	4.6
161.02333	1.6
161.05992	17.4
167.03391	0.7
169.06494	12.8
169.07797	0.9
171.62514	0.4
173.02188	0.4
173.05949	2.4
175.03886	1.3
179.03416	5.2
187.03917	0.6
187.07565	3.0
193.04976	0.5
197.05991	17.4
200.04642	1.0
205.08617	0.8
215.07040	100.0
216.07376	2.2
228.77481	0.5
233.08092	14.3
235.09647	1.5
271.13303	3.9
286.19592	0.5
289.14417	1.3
295.09811	1.0
297.78174	0.4
307.13312	0.7
349.14374	31.9
350.14716	1.3
351.15903	2.6
367.15295	1.3
405.20621	8.9
423.21808	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	423.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.01863	1.3
55.05505	2.1
57.07081	0.9
62.75625	0.7
65.03947	5.8
67.05508	12.0
68.99785	1.0
69.03437	0.7
69.07074	4.9
71.04989	0.9
79.01868	0.9
79.05499	5.1
81.03397	2.2
81.07064	7.1
83.04984	1.3
88.57872	0.7
91.05489	17.6
93.03395	2.7
93.07056	7.3
95.04929	1.5
95.08595	3.2
103.05461	1.4
105.07052	4.0
107.01315	1.8
107.04981	4.6
107.08575	2.2
109.02843	1.7
109.06505	2.1
109.10172	8.1
115.05482	3.8
116.06256	3.9
117.07007	3.0
119.04960	2.1
119.08590	9.1
121.06505	3.2
121.10138	2.1
123.08070	1.4
128.06232	7.0
129.07025	4.5
131.04935	1.4
131.08583	13.5
133.06502	5.8
133.10088	1.1
135.04428	1.3
135.08038	2.2
135.11713	0.9
137.05995	0.9
141.06978	5.1
143.08560	2.6
144.05698	4.8
145.06474	3.2
147.04382	1.2
147.08047	3.3
149.02419	1.2
151.03870	1.9
159.04457	3.0
159.08075	14.2
161.02342	1.7
161.05995	10.4
163.03900	1.0
167.03416	1.8
169.06487	2.8
171.08015	1.3
172.05208	1.7
173.05963	2.7
173.11711	2.0
177.01862	2.4
177.05528	0.9
177.12703	0.7
179.03401	24.0
179.14317	1.1
187.07562	26.1
189.05501	1.7
191.03346	1.2
193.04904	1.3
195.02908	4.2
197.05986	1.2
200.04802	0.8
203.06992	1.9
205.08533	1.2
215.07028	18.2
217.05046	0.9
217.08640	5.9
219.94781	0.8
229.19627	0.9
233.08099	100.0
234.08459	2.1
235.06039	14.7
235.09613	4.2
235.60211	0.8
251.09192	3.2
253.07039	0.8
271.13321	39.6
289.14365	2.3
295.09729	1.2
311.09006	1.5
331.26297	1.0
337.14166	0.9
349.14371	42.9
350.14700	1.8
351.15662	1.3
367.15408	5.4
405.20667	27.6
405.25830	0.9
406.20895	1.9
423.21631	2.4
423.27316	2.2
423.31821	2.2
429.81412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2168
Annotation	4'-O-Methylbonannione A
Peak:m/z	Relative Intensity
53.03230	1.0
53.03937	1.2
57.07055	1.8
65.03937	4.8
66.96274	0.9
69.07072	9.7
69.83602	2.3
69.83993	2.9
79.05494	2.5
81.03426	13.1
91.05484	4.0
93.03419	2.2
93.07021	1.2
99.00829	1.7
105.07034	3.3
107.04951	1.8
109.02889	31.5
118.04166	1.6
119.08591	2.7
121.02911	1.3
121.06522	13.8
128.06236	2.0
129.06981	1.9
131.08553	4.5
133.06505	17.9
135.04445	1.4
135.08058	27.9
145.06526	1.6
147.07983	1.3
149.02338	7.5
159.04456	1.6
159.08081	3.1
161.02365	4.2
161.05992	31.5
165.01828	2.3
167.03410	5.6
171.04427	1.2
175.03905	1.8
177.01845	68.1
178.02324	1.2
179.03401	20.2
187.07545	6.6
191.03371	1.5
193.04984	1.8
195.02911	86.1
201.12662	1.6
201.44060	1.2
203.03491	1.8
203.07103	4.0
211.07597	1.3
215.07034	5.6
217.08618	4.1
221.08035	1.5
233.08104	100.0
234.08463	2.6
235.06039	4.0
251.09125	11.6
253.07083	2.9
259.09677	1.8
271.13239	6.2
281.08118	1.9
283.09735	2.7
289.14365	3.6
295.09750	1.6
296.10526	1.3
311.09137	35.5
337.14426	2.2
349.14398	11.2
351.15973	1.4
354.14670	2.6
355.15338	8.1
367.15433	30.8
405.20517	4.8
423.21698	64.6
424.21997	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	423.2167
Annotation	Cedrelone
Peak:m/z	Relative Intensity
53.00299	0.7
56.57493	0.5
65.03944	14.9
69.35526	0.4
69.56305	0.4
70.78559	1.4
70.78964	0.4
71.04977	1.9
79.05469	0.8
79.96414	0.5
91.05511	2.5
93.02828	0.5
93.03410	10.3
93.58968	0.5
105.03374	0.9
105.07014	0.9
107.01318	0.5
107.04950	0.8
116.06192	0.5
119.08576	1.3
121.06497	2.0
125.66251	0.4
128.03413	0.5
128.06248	0.6
129.07010	0.7
131.08530	1.6
133.06488	1.6
134.24812	0.5
135.04427	1.1
141.06958	0.7
144.05717	0.9
145.06503	0.9
147.04419	0.8
147.08044	1.7
147.10451	0.4
149.02330	0.5
159.04459	0.6
159.08034	2.1
161.02342	20.9
161.05960	6.1
161.09593	3.2
163.03957	1.2
171.08244	0.5
175.03931	0.7
177.08029	0.4
179.03401	100.0
180.03696	1.6
187.07545	3.6
189.09102	0.6
193.05042	0.6
215.07051	3.4
217.08607	45.3
218.08975	0.8
233.08078	16.2
235.06049	0.5
235.09662	13.1
251.09154	22.1
252.09410	0.5
270.21194	0.5
271.13345	6.1
289.14374	17.2
295.09671	17.9
307.09753	1.2
349.14346	8.0
351.15909	27.8
352.16351	0.9
367.15402	15.9
368.15881	0.7
405.20612	16.7
423.21704	23.6
424.21887	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05040	0.8
63.23223	0.7
65.03950	15.9
67.05498	2.7
68.99753	0.7
69.07064	2.6
71.55793	1.6
77.62845	0.8
79.05477	1.3
81.07047	1.4
91.05481	3.5
93.03419	11.8
93.07040	1.6
95.08611	1.2
103.05492	1.6
105.07027	2.0
107.08596	1.0
109.10159	1.3
113.21663	0.8
115.05432	1.6
117.07027	1.4
119.08610	4.2
119.12176	0.8
120.34078	0.9
131.08575	3.5
133.06477	2.4
141.06998	1.3
142.48061	0.7
145.06505	2.0
147.08044	1.0
149.02330	0.9
156.37886	0.8
159.08076	2.8
161.02364	10.9
161.05994	7.3
167.03397	2.9
169.06519	6.3
173.06013	2.8
177.01842	1.3
177.05624	1.2
179.03418	100.0
180.03723	1.6
187.07600	2.0
191.03427	1.4
191.07072	5.2
195.02888	1.9
197.04358	1.5
197.05984	9.5
205.08670	1.9
215.07051	65.3
227.73175	0.8
233.08115	98.5
234.08508	2.5
235.06015	1.1
251.09172	22.1
253.08749	0.9
265.10687	0.8
289.14398	4.4
295.09790	3.3
325.14462	2.2
349.14462	2.9
367.15442	80.2
368.15860	2.7
423.21707	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	423.2168
Annotation	4-Methylabyssinone V
Peak:m/z	Relative Intensity
53.03939	2.5
55.01872	1.7
56.95187	0.7
57.07054	2.2
60.07565	0.6
67.01855	2.1
69.07073	11.9
81.03424	14.5
91.05500	1.1
99.00842	1.1
103.05457	0.7
105.07050	2.3
109.02888	37.5
115.05403	0.8
121.02863	2.0
121.06517	7.9
131.05011	1.3
135.08066	32.0
137.06018	0.8
139.03871	0.8
139.28613	0.7
143.04956	0.8
145.06480	2.3
147.04379	1.4
148.94742	0.8
149.02327	4.0
153.05460	0.9
157.06544	1.8
159.04422	3.3
161.05962	1.1
165.01854	1.7
165.06944	0.8
167.03419	31.2
171.04356	1.4
173.05972	1.3
177.01843	90.6
178.02203	1.0
185.04456	1.4
185.05937	1.4
188.84253	0.8
191.03410	2.5
193.05026	2.3
195.02907	100.0
196.03300	1.9
201.12781	5.6
203.03426	4.0
209.09630	0.8
215.07118	4.4
215.10727	2.3
218.04419	1.2
221.05850	0.8
223.07562	0.8
227.10672	1.7
233.08096	90.7
234.08461	2.5
241.12175	0.9
251.06891	0.9
251.09186	10.7
259.09607	1.9
265.08618	2.1
266.05884	1.1
267.06473	1.0
269.08133	3.3
281.08060	7.1
283.09686	1.1
293.07983	4.8
299.09030	3.7
311.09155	49.0
312.09445	2.0
335.12808	1.3
349.14340	19.9
355.15372	2.7
367.15430	36.0
368.15494	1.1
381.80444	0.9
423.21579	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	423.2168
Annotation	4-Methylabyssinone V
Peak:m/z	Relative Intensity
53.03930	0.7
55.01862	0.9
55.05508	0.6
59.05036	0.4
65.03941	0.5
67.01869	4.7
67.05499	1.5
68.99783	1.3
69.07073	42.6
70.79250	0.6
70.81856	0.3
79.01828	0.4
79.05490	0.4
81.03445	0.4
81.07047	0.8
83.04988	1.0
83.08576	0.4
85.02925	0.5
91.05483	1.6
95.04961	0.7
98.21375	0.5
99.04441	0.7
103.05482	1.7
105.07073	0.9
107.04973	0.5
109.06506	0.4
109.10171	0.4
111.04464	4.0
115.05475	2.7
116.26167	0.3
117.07020	1.8
119.04971	1.0
122.08111	0.4
124.01531	0.5
125.02380	1.8
125.05993	0.5
125.26413	0.3
128.06190	0.6
129.07016	1.8
131.04956	4.4
131.08536	0.4
133.06503	2.0
137.05957	1.3
139.03903	0.7
141.06941	0.8
142.07817	0.5
143.04935	2.4
143.08582	0.9
144.05615	0.4
145.06490	7.8
147.04424	2.8
152.01071	0.7
153.05524	3.5
153.06686	0.6
154.07790	0.4
157.06525	3.7
157.10133	0.5
158.07199	0.5
159.04428	10.1
159.08069	1.1
161.06053	0.7
161.09583	0.4
165.05476	1.2
165.07008	1.7
166.07820	0.8
167.03412	100.0
168.03745	1.2
169.06509	0.9
170.07291	0.4
171.04401	3.2
171.08052	0.8
173.05974	4.2
173.09610	0.6
175.11162	1.8
177.05489	2.4
179.03409	3.6
179.08560	2.0
181.06483	1.0
181.10075	0.6
182.07312	0.4
183.08116	0.9
183.11726	0.8
184.05386	0.5
184.08737	0.6
185.04445	3.9
185.06003	5.7
185.09601	1.3
189.12625	0.6
193.04971	5.4
193.06531	0.9
194.07307	0.9
195.08122	1.2
197.04477	0.9
197.06006	1.2
197.09618	1.2
199.11189	0.7
201.05443	0.9
201.12756	23.6
202.13055	0.4
205.06477	1.7
205.08337	0.5
206.07256	0.5
209.09621	2.0
210.06837	0.8
211.07524	0.5
213.05508	1.4
215.07077	13.6
215.10616	7.8
217.04877	0.9
220.05260	0.4
221.05989	4.6
222.06842	2.0
223.07600	2.1
223.09431	0.5
227.10646	6.1
229.08533	0.5
233.05997	2.2
234.06807	0.5
235.07596	0.7
237.05457	0.9
237.09123	1.4
238.06303	1.3
239.07016	0.6
240.07680	0.7
241.08609	0.6
241.12262	2.7
249.05490	0.9
249.09186	0.5
250.06281	1.9
251.07024	4.0
252.07561	0.5
253.08669	1.2
255.10188	1.5
257.08191	0.6
263.07034	0.9
265.05685	0.6
265.08597	5.3
266.05789	2.7
267.06519	2.8
267.10132	1.1
269.08109	6.5
278.05688	1.5
279.06494	2.7
281.08105	22.3
282.08444	0.6
283.09732	4.1
283.16928	2.9
289.12238	2.3
293.08096	17.5
294.08633	1.5
299.09171	8.3
307.09979	0.6
307.13162	2.1
311.09140	11.4
321.14819	0.9
331.13339	1.2
334.12048	0.6
335.12799	4.6
339.15979	1.4
349.14359	68.9
350.14761	2.1
355.15433	10.8
367.15427	21.2
368.15625	1.1
423.21756	9.8
424.21826	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1806
Annotation	Orientanol C
Peak:m/z	Relative Intensity
55.01856	2.9
55.05516	10.4
57.03430	3.7
65.03944	2.0
67.05173	3.5
67.05507	40.5
69.03431	4.7
69.07076	26.3
71.04978	2.3
71.55836	2.6
79.05496	15.5
81.03445	4.7
81.07064	26.4
81.60464	1.9
83.04972	2.6
83.08615	4.9
85.02919	2.8
85.06522	2.3
86.99575	2.2
91.05499	20.3
92.84270	2.1
93.07045	17.4
95.04971	3.8
95.08610	12.6
100.86204	2.2
105.07032	11.6
107.04974	5.7
107.08571	11.2
109.02882	4.0
109.06520	5.3
109.10161	21.4
111.08076	3.6
117.07014	6.9
119.04951	12.2
119.08571	7.4
121.06547	10.4
121.10152	6.9
123.08135	2.3
123.11687	3.2
129.06956	4.3
131.04884	2.2
131.08572	5.8
133.06494	8.6
133.10115	9.4
135.08058	3.6
135.11676	3.9
137.02316	3.1
137.05930	3.2
139.07483	2.6
143.08586	2.6
143.92761	2.1
145.06494	2.3
145.10132	2.9
147.04430	43.9
149.02354	6.9
149.13252	7.1
151.07561	3.1
161.05954	9.4
165.01830	12.6
167.03410	12.2
171.08093	2.8
171.11618	2.4
173.09613	2.8
173.11787	4.5
177.01836	5.6
179.03383	4.9
183.02840	4.9
185.13130	2.5
189.01862	2.5
189.05499	3.8
191.03482	2.9
193.01335	5.2
193.04967	5.7
195.02924	13.0
195.13838	3.2
199.07535	4.4
207.06580	3.5
214.02390	2.4
217.04984	4.0
219.06525	4.9
221.08092	5.6
227.07021	10.3
233.08147	5.9
235.06021	100.0
247.06110	2.8
253.07028	3.5
255.06630	6.5
283.06027	13.2
283.09546	8.0
303.12234	4.2
309.07611	2.2
310.07990	2.4
311.05560	56.4
311.08789	5.2
349.14243	3.1
355.11810	50.5
355.16031	3.3
367.11746	63.3
367.16013	5.4
369.24051	2.6
405.26379	2.3
423.17999	11.9
423.27466	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	423.2168
Annotation	5-Deoxyhomoflemingin
Peak:m/z	Relative Intensity
53.00320	0.8
53.68230	0.8
55.01882	1.1
55.05503	2.9
65.03953	6.1
66.80856	0.8
67.05512	17.4
69.07077	5.4
71.54942	0.9
79.05496	6.0
79.88125	0.9
81.07072	9.9
83.08598	2.6
91.05499	5.4
93.03402	3.2
93.07060	7.9
95.04959	1.0
95.08613	4.6
97.02917	1.1
97.06519	1.3
105.07024	3.8
107.08575	3.7
109.09482	1.0
109.10168	13.1
111.08098	1.0
115.05403	1.0
116.77311	0.9
117.07049	1.4
118.04147	1.0
119.08573	2.6
121.02843	2.8
121.06497	4.5
121.10162	2.8
123.11742	1.6
131.01285	6.7
131.04927	1.3
132.45372	0.8
133.06482	5.5
133.10144	1.3
135.08061	4.3
135.11678	2.3
137.02388	1.0
145.06538	1.0
147.04373	1.9
147.08063	1.1
147.11691	1.1
149.02354	81.9
149.09555	1.0
149.13245	3.1
150.02673	1.4
159.11682	1.1
161.06001	22.4
161.09616	0.9
163.03874	3.1
167.03415	100.0
168.03688	0.9
173.11667	2.4
177.05504	1.1
179.03322	1.6
189.05428	7.4
191.07019	1.1
195.02835	2.1
198.07738	0.8
199.11287	0.9
203.07014	3.3
215.06970	4.8
233.08038	1.0
235.06049	13.7
242.68947	0.9
247.05902	1.0
271.10788	1.0
271.13315	6.6
283.09686	58.2
284.10129	2.1
289.14270	2.4
299.05576	1.6
311.05621	1.7
323.12918	10.9
337.14294	1.1
341.13699	2.0
349.14279	2.8
367.11700	3.0
367.15689	1.7
405.20670	8.5
423.17517	2.1
423.21939	2.7
423.27084	5.6
427.25983	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0902
Annotation	Mangiferin
Peak:m/z	Relative Intensity
51.61535	0.7
52.60424	0.7
56.96564	0.8
68.35847	0.6
69.03439	1.0
69.38595	5.7
70.06583	1.6
72.20273	0.8
73.02895	0.7
79.05495	1.0
81.07063	1.5
84.08134	1.0
85.02927	1.4
86.09726	1.9
91.05479	1.1
95.08593	1.2
98.97618	1.5
100.15675	0.6
105.07053	1.0
106.11863	0.7
107.08621	0.9
109.02879	0.8
119.08581	1.2
120.08124	1.1
121.02879	0.8
121.10144	0.9
123.04445	1.0
133.10144	0.9
147.04446	1.8
151.03983	0.9
158.02742	1.0
158.66148	0.7
167.03230	1.1
167.06979	3.2
173.13214	1.1
175.03642	5.6
185.04239	1.4
227.05272	4.2
271.04291	8.1
309.07346	1.0
321.07700	0.8
337.09045	8.0
347.07553	1.1
349.10468	0.8
361.08823	1.0
379.10010	54.8
380.10434	1.1
391.80533	0.7
395.10318	0.8
402.28833	0.7
405.09048	1.6
423.09018	100.0
424.09344	2.8
433.90765	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1804
Annotation	Kayeaxanthone
Peak:m/z	Relative Intensity
53.03945	2.2
55.05510	2.9
57.39498	0.7
67.01837	0.9
67.05508	18.3
67.62869	0.8
68.99798	2.9
69.07074	100.0
70.07372	0.9
71.55662	1.0
79.05497	12.0
81.07058	9.7
83.08596	2.0
84.89198	0.7
89.06032	0.9
91.01854	1.1
91.05477	4.6
93.07054	5.3
95.04979	3.1
95.08600	3.4
97.06546	1.3
105.07015	3.2
107.04962	7.8
107.08594	2.1
109.02880	1.2
109.06549	1.0
109.10162	8.9
111.08102	1.2
113.37012	0.8
117.07051	1.7
119.04934	2.0
119.08577	1.9
121.02810	1.0
121.04995	0.7
121.06532	1.9
121.10181	1.2
123.04440	6.7
123.08089	0.9
131.05025	0.8
131.08572	1.5
133.06512	1.9
133.10141	1.8
134.82309	0.9
135.04395	1.8
135.11702	1.3
137.02370	1.6
139.81001	0.8
145.06564	1.7
145.10117	1.0
147.04417	3.1
149.02327	2.1
149.13315	1.6
153.01859	5.4
155.10597	1.0
159.04411	1.6
159.11700	2.5
161.05988	3.9
161.29745	1.0
164.84225	1.0
165.01865	1.6
167.03477	5.5
168.03799	1.7
169.03897	1.4
173.09737	0.9
173.11769	2.8
175.11209	1.0
177.01823	0.9
179.03416	1.4
185.06047	1.2
185.09566	1.3
187.03938	1.9
193.04971	2.6
194.05414	1.0
195.02956	2.1
201.05554	1.8
201.12715	1.4
207.02957	1.2
215.07057	3.1
219.06494	2.1
229.05003	1.3
233.08160	2.4
235.06119	2.0
243.06567	7.8
255.06592	2.5
271.06015	6.4
271.09277	0.9
281.11435	1.1
283.06140	4.7
287.05533	22.4
289.10745	19.6
299.05536	36.0
300.06110	1.1
309.07623	1.1
309.10992	1.2
311.05490	4.4
311.08862	1.3
348.13159	1.4
349.13922	5.0
355.11783	68.5
356.12100	2.2
367.10965	4.3
367.15250	2.8
405.16919	5.4
423.18030	99.4
423.27435	7.1
424.18243	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	422.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
54.22912	2.7
55.01881	6.0
55.05518	14.7
55.54231	2.6
56.96565	14.3
57.03443	7.2
59.04992	3.3
61.02932	13.5
63.13558	2.9
65.10168	2.4
67.05511	43.5
68.05853	3.0
69.03432	12.5
69.07069	18.6
69.45214	3.2
70.06587	2.9
71.05013	7.3
71.16076	6.3
73.02921	6.9
79.05497	23.5
81.03424	22.4
81.07064	90.4
82.07392	6.0
83.04971	8.0
83.08639	12.1
85.02914	37.0
85.06560	4.6
91.03961	7.8
91.05486	44.0
93.07040	21.1
95.05005	13.7
95.08603	20.7
97.02913	18.3
97.06550	9.4
98.97578	5.2
105.07043	39.6
107.04964	5.8
107.08608	13.4
109.02898	3.8
109.06544	6.2
109.10190	10.8
110.97578	4.0
116.98614	3.3
119.08609	29.8
121.10155	23.0
123.08071	6.3
123.11720	27.3
127.03925	8.0
129.07050	5.1
131.08591	7.5
133.10135	23.8
137.13283	7.5
145.04973	7.1
147.11703	100.0
149.01317	3.5
149.02382	9.3
157.10123	10.6
165.12773	75.3
175.11229	11.3
180.08664	5.3
191.02037	2.8
193.05037	8.5
193.12263	67.9
197.15370	47.4
205.35654	3.3
225.14856	57.6
225.16890	4.1
235.06325	3.8
236.08202	3.6
243.03523	4.1
243.15936	95.3
253.07533	7.5
267.15939	3.5
271.08606	18.5
272.09055	3.5
289.09662	11.3
317.10742	11.6
317.60980	5.0
330.21454	9.0
337.02057	3.1
404.25208	4.3
417.06601	6.4
422.26279	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	422.1955
Annotation	Dehydrodecodine
Peak:m/z	Relative Intensity
50.73672	0.7
53.03947	0.8
55.01868	7.9
55.05516	23.4
58.99587	4.8
61.01155	0.7
69.57610	1.7
69.58022	2.8
72.04504	3.0
73.01146	1.2
73.02889	1.6
75.02702	0.8
76.02221	2.9
78.90936	0.7
81.07046	1.4
83.06091	2.0
83.08624	28.1
84.04512	14.1
86.99059	4.1
88.02219	1.7
90.05552	2.2
98.09742	0.7
99.05582	0.8
99.07939	0.7
101.09668	0.8
104.01012	0.8
104.01704	15.1
107.08581	0.8
115.05789	0.8
116.01682	31.4
123.47983	0.7
126.05521	1.6
129.06566	4.7
130.04999	2.9
142.03250	2.3
144.06573	2.0
158.02724	100.0
159.02832	0.6
159.08418	22.7
160.02266	1.2
162.19666	0.7
170.02635	1.1
176.03783	66.8
176.11064	2.1
180.00774	0.6
193.06496	1.1
205.08900	1.3
215.04930	0.8
258.11557	1.2
273.12573	0.8
275.12469	2.9
276.12665	47.4
277.12781	1.0
293.15317	22.2
315.13818	2.2
333.14865	9.8
404.18552	0.9
422.19449	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	9.5
55.05518	27.7
56.05046	1.6
58.99584	7.8
60.90102	1.1
71.35326	2.4
72.04524	3.1
75.02706	1.4
76.02231	3.5
81.07055	3.0
82.19440	1.1
83.06094	1.7
83.08627	30.4
84.04509	14.9
86.99059	4.8
88.02235	1.9
90.05578	3.1
98.09720	3.4
104.01699	15.9
108.19423	1.2
110.72646	1.2
116.01691	34.4
126.05512	1.2
129.06602	2.5
129.07413	1.7
130.05022	3.6
141.06526	1.5
142.03264	2.6
144.06615	1.6
158.02733	100.0
159.02948	1.4
159.08430	28.8
160.02283	2.5
176.03787	69.9
176.11208	2.7
251.48906	1.1
274.12964	1.5
275.12244	7.5
276.12668	42.9
276.15674	2.3
293.15356	23.9
300.03531	1.3
333.14743	6.2
370.12219	1.1
381.13232	1.6
422.19409	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43286	2.3
53.03934	3.2
55.01869	6.0
55.05506	15.9
56.96555	5.3
57.03447	13.6
57.03676	3.2
61.02908	8.7
67.05510	38.4
68.05832	5.2
69.03439	14.3
69.07060	10.2
69.83498	14.3
71.04989	6.0
79.05511	22.6
80.05808	4.0
81.03420	17.8
81.07060	87.4
82.07356	4.0
83.04961	7.0
83.08618	11.7
85.02917	28.0
85.06525	5.8
91.03954	5.1
91.05491	31.2
91.24429	2.6
93.07050	20.5
95.04977	17.9
95.08610	24.5
96.05302	6.5
97.02892	12.5
97.06517	8.5
97.10203	3.7
99.04432	3.6
99.08103	4.1
105.07043	43.0
107.04970	5.0
107.08598	12.9
109.02864	5.2
109.06515	6.7
109.10154	10.0
110.10473	3.7
111.08073	4.7
117.07038	3.7
119.08590	34.7
121.06469	4.6
121.10156	23.7
122.06823	3.1
123.08062	5.5
123.11713	21.0
127.03916	10.4
131.08551	3.8
133.10118	5.5
135.11673	4.5
137.13234	6.3
139.23619	2.7
145.04936	5.9
145.10138	5.2
147.08070	4.7
147.11697	93.3
157.10081	6.4
165.12764	74.1
175.11148	7.0
180.08667	5.1
183.13814	3.7
193.12221	17.7
197.15381	44.2
211.13274	3.8
225.14737	7.5
229.14348	15.9
234.45143	2.8
243.15952	100.0
264.52679	2.9
267.09058	5.3
269.12650	4.5
285.10156	6.9
316.28564	4.1
324.11548	3.7
330.21439	15.0
404.25104	5.8
422.26132	12.7
422.34656	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	422.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.4
53.03953	0.4
55.01857	0.2
56.14134	0.2
56.96556	1.2
57.03430	1.3
57.38929	0.2
57.68864	0.3
61.02925	0.8
69.03431	2.2
69.49868	1.2
69.50269	0.5
71.04995	0.3
71.73516	0.3
74.00674	0.6
80.27307	0.3
81.03403	1.2
85.02908	6.6
87.82277	0.3
91.05471	0.8
97.02892	2.0
98.97587	2.2
99.04435	0.4
99.99834	0.3
100.02274	0.3
101.00843	0.4
109.02866	0.8
110.97578	0.3
115.02171	2.6
115.62460	0.3
116.80543	0.3
118.03511	0.3
119.01894	0.3
119.04926	1.0
120.01157	0.7
127.03943	1.5
127.99266	0.5
132.04568	0.3
137.23515	0.3
139.03911	1.0
143.01631	20.5
145.04935	0.8
146.02721	0.5
147.04413	3.7
156.03439	0.3
158.99634	0.4
161.01196	0.4
161.06606	0.4
163.03940	0.4
171.01120	100.0
172.01407	1.2
177.00784	0.4
177.05492	0.6
178.56668	0.3
186.04424	0.5
221.05165	0.4
228.05386	0.5
232.03558	0.4
243.03288	0.4
257.04495	0.6
260.05911	13.8
267.05389	0.6
282.43945	0.3
302.07001	0.5
305.10812	0.7
309.08984	0.3
338.07120	0.4
386.09055	0.6
390.02652	0.2
390.72931	0.3
399.06000	0.3
404.10104	0.4
423.13507	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01875	0.9
55.05518	4.7
56.96563	4.5
57.03434	1.7
57.07080	17.0
59.88482	0.8
61.02916	1.6
65.03939	0.8
67.05508	12.8
69.03429	1.3
69.07063	2.6
71.04970	1.2
71.55476	1.1
72.02399	0.8
73.02913	0.9
79.05499	6.1
81.03416	5.9
81.07065	6.8
83.04958	1.3
83.08617	2.5
85.02888	2.6
85.06538	1.2
87.55954	0.7
88.07613	2.2
91.03999	1.2
91.05481	8.3
93.07049	5.3
95.04969	7.2
95.08616	4.0
97.02896	1.9
97.06541	1.4
97.10184	1.4
98.97555	1.2
101.02358	1.0
105.04527	0.8
105.07038	3.8
107.04946	2.6
107.08596	2.9
109.06527	1.2
109.10165	6.4
111.08084	1.3
117.07025	2.9
119.08585	4.4
121.06482	2.1
121.10116	2.7
123.08077	1.1
125.07104	2.0
125.09589	0.9
126.05508	2.2
127.03855	0.8
129.07014	1.4
131.08577	3.0
133.06490	1.0
133.10095	2.1
135.08067	1.5
135.11742	0.8
145.10106	1.3
147.03122	0.9
147.04469	1.2
147.08084	0.9
147.11652	1.2
148.16621	0.9
149.02370	5.4
149.09610	1.0
157.10129	1.5
159.11690	1.5
163.11111	0.8
165.01852	2.4
167.03397	1.8
168.23106	0.8
173.11714	1.5
175.11237	2.1
181.09995	1.0
183.02966	1.9
185.04790	1.0
188.68881	0.9
189.11086	0.8
193.04979	4.7
193.12289	2.5
208.14388	1.2
209.12877	5.9
213.07993	1.1
216.52081	0.9
218.12921	2.7
233.08096	1.7
235.09036	0.9
251.09349	1.1
255.09071	1.6
256.26425	2.3
267.09091	2.3
268.06821	0.9
269.10440	4.0
275.17657	3.8
283.08438	1.0
285.10226	2.7
287.11649	2.1
292.20227	4.6
293.18616	5.4
299.11658	1.4
302.18726	8.0
316.11691	6.1
329.21164	6.6
329.24738	1.1
358.24847	1.1
363.14450	0.8
376.25977	100.0
377.26343	4.0
385.23669	0.9
394.27039	2.7
403.24619	3.9
421.25757	8.3
421.31689	3.2
422.29361	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	421.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.2
55.01863	9.6
55.05516	30.0
56.21162	2.2
56.55115	2.3
56.96549	4.4
57.03441	11.7
59.05008	2.3
61.02925	5.5
65.03944	4.5
65.52065	2.3
67.05508	80.9
69.03419	8.3
69.07076	12.5
70.01814	8.1
71.05003	5.3
71.27804	2.1
79.05494	42.5
81.03418	28.6
81.07062	46.7
83.04978	11.2
83.08616	16.7
85.02907	4.4
85.06540	4.6
91.03958	2.9
91.05486	48.4
93.07047	40.9
95.04974	60.7
95.08611	30.4
97.02882	3.7
97.06533	5.6
97.10193	11.4
98.21440	2.1
98.97594	2.7
103.05432	2.5
105.04521	2.9
105.07027	23.8
107.04967	23.4
107.08595	13.4
109.06499	8.7
109.09468	2.9
109.10167	39.6
109.51059	1.8
111.08081	6.5
115.95891	2.0
117.07057	15.0
119.04974	3.0
119.08572	25.2
121.06509	21.0
121.10145	11.6
123.08057	7.6
125.09608	13.0
128.06223	3.7
129.07022	15.0
130.07700	2.2
131.04951	2.5
131.08551	21.9
133.06503	7.2
133.10109	11.5
135.04530	2.6
135.08061	10.2
135.11726	3.9
137.09621	8.7
139.11220	3.3
141.06944	3.9
142.07808	3.0
143.08603	9.9
145.06474	4.9
145.10120	15.2
147.08061	9.3
147.11697	5.0
149.09592	7.2
151.77396	2.4
155.05922	2.5
155.08530	7.0
155.10689	2.3
157.06544	3.3
157.10164	18.0
159.11736	7.1
161.09662	6.9
163.11154	10.0
169.10188	6.6
171.08060	4.2
171.11668	5.2
173.09607	2.5
173.11748	5.8
173.13219	5.1
175.11218	9.0
177.12793	5.0
183.11662	4.3
185.09586	3.6
185.13347	3.7
187.11192	3.2
189.06972	1.8
189.09117	9.0
189.11235	6.6
193.12282	13.9
195.11722	3.1
197.13300	2.7
199.11203	3.0
201.12721	3.7
203.10704	11.8
203.12669	4.8
205.12273	5.7
213.12779	4.2
215.14323	3.2
217.12181	5.5
219.13792	2.5
223.13240	6.1
229.07512	2.7
231.13885	6.5
249.14897	8.5
259.12836	3.4
283.20767	3.2
301.21619	7.5
311.20038	20.3
329.21130	100.0
340.15405	8.6
347.22266	13.4
367.23059	2.4
385.23511	4.2
403.24823	42.5
407.68292	2.3
421.18231	5.6
421.25861	72.0
422.26248	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	421.2012
Annotation	Khonklonginol G
Peak:m/z	Relative Intensity
53.03949	2.4
53.58031	1.1
55.01870	1.6
56.66481	1.2
57.07066	3.4
65.03949	6.4
67.05515	2.4
69.06728	1.6
69.07078	25.8
69.41610	7.4
69.42008	2.2
71.08630	2.7
79.05513	6.2
80.52914	1.1
81.03429	2.0
81.07065	2.3
83.31181	1.4
89.06033	5.8
91.05496	12.8
93.03424	6.5
93.07021	2.1
95.04989	2.8
95.08603	1.8
98.20744	2.8
103.05499	7.2
105.03399	1.4
105.07037	8.1
107.04977	2.6
107.08595	2.4
115.05499	3.1
117.07018	4.0
118.04170	3.7
119.05004	1.5
119.08564	6.3
121.06529	5.3
128.06319	1.6
129.07022	5.0
130.07791	1.3
131.04944	3.6
131.08565	2.2
133.02853	3.1
133.06500	26.1
133.07457	2.0
133.08607	3.3
133.10147	5.5
135.04425	2.5
143.04909	2.2
143.08580	1.9
145.02858	2.5
145.06508	3.4
145.10155	4.1
147.04445	3.8
147.08061	4.2
149.02342	3.1
151.03889	1.9
155.08624	1.5
157.06540	2.0
158.07300	1.6
159.04462	6.8
161.02359	26.1
161.05994	42.1
163.07562	2.8
167.03445	3.4
173.02383	1.8
173.09625	4.7
175.03915	2.9
175.07607	3.7
179.03412	42.9
181.08624	3.0
183.08113	1.5
185.06032	4.2
187.03931	5.1
187.07574	2.6
189.05496	4.8
191.03427	19.6
201.05585	1.3
201.09113	3.1
203.07108	4.8
211.07582	2.3
213.05519	2.9
219.06581	2.4
219.10275	1.5
221.08101	17.8
224.56543	1.3
229.08629	51.8
230.09010	1.6
231.06543	17.7
235.09587	1.8
247.09691	41.5
249.07616	96.1
253.08752	3.7
266.09625	1.4
287.12827	7.2
295.09677	7.9
304.67166	1.5
307.09650	4.7
307.47430	1.3
352.13245	2.7
353.13892	7.2
363.15961	13.2
365.13873	100.0
366.14575	1.9
421.20178	78.3
422.20831	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2012
Annotation	Khonklonginol G
Peak:m/z	Relative Intensity
53.03957	0.7
55.01871	1.3
57.07056	1.0
61.40337	0.5
63.41484	0.6
69.07065	0.9
70.70257	1.8
77.03952	0.5
79.05494	1.6
81.03428	5.6
81.07050	0.6
83.01345	1.0
91.05467	2.2
93.03397	1.4
93.07032	2.0
95.04945	0.6
98.08369	0.5
104.61897	0.5
105.03387	0.7
105.07027	1.6
105.17313	0.5
107.04951	1.3
107.08582	2.1
109.02888	11.5
109.06500	1.2
117.07008	2.8
119.08569	0.8
121.02888	1.3
121.06535	3.7
131.08540	1.1
133.06502	8.5
134.79457	0.6
135.04413	1.8
135.08064	27.0
145.06479	1.2
147.08073	2.0
149.02287	0.6
153.47873	0.6
154.92297	0.6
157.06508	0.6
159.04414	1.7
161.02426	1.4
161.06023	1.1
163.07578	1.6
165.01836	1.0
167.03343	1.0
175.07535	2.9
175.11162	1.2
177.01848	17.5
179.03386	1.4
179.19543	0.6
189.01837	25.2
189.05479	11.5
189.12769	7.3
195.02905	23.6
196.03215	0.6
203.03398	1.6
203.07178	1.5
207.02910	7.3
213.05530	3.1
219.06598	0.6
221.08154	0.8
231.06538	100.0
232.06877	1.7
233.08087	15.5
249.07634	19.4
251.09212	3.5
257.08087	4.0
287.12830	18.2
309.07544	1.0
323.12595	1.0
341.26605	1.2
365.13882	65.0
366.14081	2.1
421.20123	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	421.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
55.05502	2.8
65.03926	0.9
66.61897	0.7
67.01875	9.5
67.05518	4.1
68.99761	1.7
69.03408	0.9
69.07076	9.9
70.94433	0.8
70.94765	1.3
75.27621	0.7
77.03978	0.8
79.05482	4.7
81.03426	1.6
81.07066	3.7
83.04978	0.8
83.08566	0.8
91.05471	4.8
93.07040	3.3
95.04968	5.3
95.08587	2.1
99.04456	0.9
105.07036	3.4
107.04951	1.9
107.08595	1.4
109.06504	2.0
109.10148	1.2
111.04428	3.6
115.05438	1.3
117.07006	1.4
119.04931	4.1
119.08606	1.5
121.02917	1.0
121.06535	2.4
121.10186	0.9
123.08055	0.9
125.02355	1.6
128.06233	1.6
129.07010	2.0
130.07785	0.7
131.04906	0.9
131.08565	2.5
133.06491	1.4
133.10153	1.3
135.08076	1.1
137.06006	4.5
139.03943	0.9
141.05473	1.5
141.06950	2.3
142.07782	1.7
143.08577	4.0
145.06487	1.6
145.10132	2.7
147.08055	1.1
147.11620	0.7
149.02367	1.2
153.01848	1.6
153.05482	4.6
153.06847	1.2
154.07756	2.2
155.08546	3.1
156.09349	2.6
157.06500	1.7
157.10118	1.4
158.07314	2.2
159.08081	3.1
163.11139	1.3
165.01761	1.3
165.05482	3.6
165.06885	1.1
166.07770	1.7
167.03415	100.0
167.08569	1.6
168.03735	1.5
169.04997	1.6
169.10135	3.3
171.08147	3.7
171.11661	1.6
173.09639	17.2
175.11226	1.8
177.05476	2.0
178.07796	1.5
179.03403	5.6
179.08604	2.0
181.10138	4.4
182.07314	3.5
183.02872	1.0
183.08060	2.5
184.08809	1.3
185.04485	12.4
185.09641	0.8
191.03386	0.8
193.04980	41.2
193.10092	1.3
195.08055	2.4
197.04494	1.8
197.09641	6.3
199.11203	20.7
201.12753	1.0
207.08119	1.9
210.06897	0.9
211.11160	1.7
213.09187	2.2
215.14401	0.9
216.09471	0.9
221.06067	1.3
221.09682	3.7
225.09148	7.7
229.15872	8.8
234.06964	1.0
235.07567	0.9
239.10699	9.8
241.10130	0.9
244.08955	0.8
245.09665	1.5
247.07556	1.9
248.08353	0.9
249.05472	1.6
249.09175	1.9
255.17448	2.6
259.11316	1.2
261.09189	2.3
262.09869	0.9
263.06924	0.8
265.08545	1.0
269.09613	2.2
271.07562	1.7
272.08350	1.3
273.09186	1.3
276.11591	1.3
277.08487	1.3
279.06546	0.7
279.10049	1.2
281.15405	3.5
287.10645	8.8
289.08603	3.0
289.11911	0.8
299.07278	1.0
303.10251	1.7
304.07703	0.7
304.10989	2.7
305.08206	1.9
305.11765	6.0
311.20132	1.7
314.09436	1.4
315.10156	2.4
317.08063	12.0
318.08920	0.9
319.13239	2.5
323.12796	1.3
329.11844	3.8
329.21097	7.3
331.09705	2.3
332.10489	7.7
333.11224	14.2
337.14151	1.4
347.12811	76.4
348.13248	2.7
353.13986	1.8
365.13879	49.7
366.14178	1.3
403.19669	1.3
403.24835	4.3
421.20398	18.0
421.25925	3.8
422.20972	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.8
57.03418	0.6
67.05499	0.8
68.99789	0.8
69.07050	0.7
70.19750	1.9
77.03935	0.7
79.05520	3.1
81.03431	1.0
81.07063	2.4
83.01348	2.7
83.04957	0.6
91.05500	4.2
93.03400	2.3
93.07050	2.8
95.05000	1.1
95.08601	0.9
95.34298	0.5
98.21515	0.5
103.05498	0.9
105.03390	1.2
105.07027	2.3
107.04930	2.3
107.08575	4.2
109.02889	1.5
109.06512	2.1
111.44431	0.6
115.05429	0.9
117.07021	6.2
119.08590	1.1
121.02852	1.7
121.06514	5.6
122.30242	0.5
129.07019	1.1
131.04955	0.6
133.02875	1.1
133.06511	0.9
135.04466	1.1
135.08066	42.1
145.06526	2.0
147.08072	1.6
157.06490	0.5
159.04427	0.9
161.02353	3.2
161.05997	1.2
163.07600	2.6
169.01332	1.6
175.07542	1.9
177.01862	1.6
189.01842	28.1
189.05478	15.0
191.03331	0.9
193.01398	0.8
195.02837	0.6
203.03510	0.7
203.07028	1.5
207.02913	13.2
207.06490	1.4
213.05556	2.9
215.03490	0.5
216.04195	1.3
221.08162	0.6
231.06532	100.0
232.06789	1.0
249.07602	35.6
250.07968	1.0
257.08096	5.0
287.12805	24.2
305.13724	0.9
323.12711	1.4
329.20712	0.7
365.13876	54.1
366.14264	1.8
367.50229	0.5
379.18933	1.0
421.19949	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	421.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01873	2.1
55.05513	4.0
56.03071	0.7
57.03423	1.9
57.07084	1.6
58.00524	0.8
65.03930	1.5
67.05509	8.0
69.07064	2.3
69.25549	1.5
69.25961	6.3
77.03920	0.9
79.05498	7.9
81.03406	1.6
81.07069	8.4
83.01344	1.8
83.05004	1.0
83.08607	1.7
89.05994	1.0
91.05489	9.8
93.03375	2.7
93.07053	8.1
95.01355	0.7
95.04977	12.3
95.08591	4.3
97.06512	1.1
97.10168	2.7
103.05463	0.7
105.03404	1.5
105.07040	5.6
107.04943	5.7
107.08598	4.4
109.02867	1.3
109.06512	2.0
109.10119	2.1
110.20531	1.0
115.05434	1.5
117.07020	7.7
119.04919	1.2
119.08591	4.8
121.06496	7.2
121.10124	2.0
123.08072	1.4
125.09640	1.5
128.06207	1.2
129.07002	2.4
131.04965	1.2
131.08565	3.3
133.06471	2.3
135.04388	1.7
135.08061	38.8
137.09659	0.9
141.65376	0.8
143.08601	1.9
145.06476	2.6
145.10118	2.2
147.08008	2.6
155.08595	1.8
157.06488	1.3
157.10133	2.3
159.08023	1.1
159.11676	1.7
161.02316	2.6
161.05951	2.1
161.09579	1.9
163.07532	3.2
163.11113	1.4
169.01306	1.5
169.10127	1.7
171.11682	1.1
173.09602	1.0
175.07504	2.4
175.11142	1.1
177.01816	1.6
179.03336	1.2
183.11707	1.3
185.05942	0.9
185.24463	0.7
189.01840	32.1
189.05478	14.5
189.09128	1.8
189.11142	1.7
189.12773	1.1
190.94766	0.8
199.11279	1.3
203.06982	1.3
203.10739	1.9
203.12602	1.1
207.02856	12.9
207.06487	1.9
213.05527	3.7
215.67389	0.8
216.04320	0.9
217.08594	0.8
221.08064	0.8
223.13339	1.3
231.06531	100.0
232.06921	1.1
249.07591	38.7
249.14761	1.5
257.08115	5.4
287.12799	27.3
301.21490	1.3
305.13840	1.3
310.94952	0.8
311.20020	3.4
323.12619	1.3
329.21152	14.7
347.22156	2.2
365.13858	63.7
366.14313	1.8
385.23624	1.4
403.24722	8.6
421.20004	4.7
421.25735	9.4
421.30731	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.201
Annotation	Khonklonginol G
Peak:m/z	Relative Intensity
55.01857	0.9
56.72957	0.7
57.03439	0.7
65.03954	0.8
65.79866	0.7
67.05484	2.4
67.69357	0.6
68.99776	0.9
69.07080	1.2
69.89811	0.6
70.66949	2.2
73.23338	0.7
79.05486	3.3
81.03414	0.8
81.07041	2.8
83.01333	2.6
91.05466	3.4
93.03394	1.7
93.07029	3.7
95.04969	1.2
95.08588	0.9
105.03388	1.4
105.07027	2.6
107.04939	3.1
107.08598	3.9
109.02892	0.9
109.06516	2.6
109.10160	1.1
117.07010	5.1
119.08579	1.1
121.02895	2.1
121.06496	6.5
129.06976	1.2
131.08543	1.4
133.06499	1.3
135.04413	2.2
135.08054	35.0
137.02425	0.7
137.49193	0.7
141.06931	0.7
145.06496	1.1
147.08038	1.8
154.89951	0.9
159.04420	1.2
159.07971	0.8
161.02328	2.0
161.05962	2.2
163.07535	2.8
167.03445	1.3
175.07524	3.3
177.01822	1.8
189.01828	28.7
189.05460	16.3
193.04877	1.3
195.03020	1.1
197.05913	1.0
203.03362	1.6
203.07043	1.7
207.02881	11.8
207.06561	0.9
213.05344	4.0
214.73854	0.9
215.03459	1.3
215.07031	4.4
231.06529	100.0
232.06842	1.4
235.93503	0.7
249.07600	32.6
251.60315	0.8
257.08090	8.3
269.11954	0.8
277.13913	1.9
281.08081	2.7
287.12793	19.1
294.05225	0.9
309.07590	7.1
323.12793	2.4
329.20874	0.8
337.14340	1.9
347.13046	1.0
349.14346	1.6
365.13855	84.6
366.14066	3.4
393.20587	1.3
408.20670	0.8
421.20248	7.3
421.25568	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
63.63812	1.3
63.73423	1.5
67.01875	7.5
67.05502	1.7
69.07074	8.7
70.01904	1.4
71.55850	1.8
72.20406	1.3
79.05470	1.5
91.05479	3.2
93.07036	2.1
95.04974	2.0
101.05259	1.3
105.07020	2.3
107.08620	1.9
111.04435	5.1
114.68277	1.3
119.04955	4.6
124.58760	1.5
129.07037	2.5
131.08546	1.9
137.05949	6.6
138.13455	1.4
143.08516	4.1
145.10121	2.0
149.02380	1.8
153.05455	4.2
154.07817	2.3
155.08551	3.7
156.09355	2.7
157.06496	1.8
158.07317	1.9
159.08081	4.5
165.05478	4.1
165.06955	2.4
167.03419	100.0
169.10144	3.0
171.08070	3.1
171.11685	1.9
173.09631	23.9
177.01860	2.7
178.02625	2.1
179.03394	6.0
179.08560	2.7
181.10130	5.2
184.08841	2.0
185.04478	7.5
193.04994	53.8
195.02913	4.3
197.09541	4.7
199.11206	27.8
207.07993	1.9
211.11493	1.6
213.09064	2.0
215.14226	1.6
221.09570	3.9
225.09113	5.8
229.15903	15.7
233.08025	1.9
239.10706	13.3
247.07596	1.8
248.08244	1.9
249.05402	1.9
249.09093	2.6
261.09064	1.9
269.09637	4.4
271.07657	1.4
276.11264	2.1
277.08670	1.6
279.10211	2.6
281.15411	2.5
287.10754	10.9
289.08578	4.3
298.09897	1.4
301.08606	2.6
303.10104	2.9
304.11041	4.2
305.08453	2.1
305.11725	4.7
315.10083	3.9
317.08044	16.2
318.08835	1.7
319.09860	1.4
319.13327	3.9
329.11835	3.5
331.09512	3.8
332.10547	9.4
333.11230	20.2
337.14584	2.1
347.12823	100.0
348.13284	4.2
365.13876	83.9
421.20117	27.6
422.20218	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.6
55.05524	1.6
56.02589	1.3
57.01751	1.2
57.03433	1.3
65.03917	1.7
65.79807	1.3
66.87566	1.4
67.01869	3.1
67.05517	6.7
69.03417	2.3
69.07070	6.0
71.12209	1.2
71.54893	1.5
77.03893	1.3
79.05495	5.4
81.03413	2.4
81.07056	4.9
83.01347	1.7
84.49418	1.3
84.64541	1.5
91.05483	8.4
93.03423	4.6
93.07057	3.8
95.04942	3.4
95.08614	2.9
103.05511	1.5
105.03448	2.3
105.07050	6.1
107.04963	3.8
107.08604	5.6
109.06511	2.9
109.10125	2.1
111.04402	3.0
115.05531	2.1
117.07028	7.0
119.04971	3.0
119.08620	2.6
121.02888	2.1
121.06518	5.2
121.10157	2.2
128.06256	2.2
129.07007	2.9
131.08598	3.2
133.02881	2.2
133.06526	3.2
135.08063	49.7
137.05971	3.1
141.06999	2.2
143.08517	3.8
145.06503	4.4
149.01234	1.4
149.02351	2.1
153.05487	2.2
153.61771	1.4
154.07753	2.5
155.08575	2.3
159.04410	2.5
159.08025	2.2
159.11688	1.5
161.02322	4.5
161.06004	2.8
163.07526	3.0
165.05476	3.6
165.06897	1.4
167.03410	48.5
167.08566	1.6
169.10181	1.7
171.08128	1.3
173.09659	9.9
175.07512	2.7
179.03354	2.3
179.08627	1.3
181.10124	2.9
182.07246	2.2
184.08891	1.6
185.04425	3.2
185.05977	2.1
185.09637	2.0
189.01831	42.5
189.05476	20.8
193.04964	25.1
195.02985	2.0
195.08086	1.7
197.09621	2.6
197.11368	1.3
199.11223	10.2
203.06992	2.2
207.02859	19.3
207.06227	1.3
213.05391	4.2
213.09161	1.6
221.09668	1.7
225.09151	3.6
229.15912	4.2
231.06535	94.9
233.09544	1.5
239.10710	4.9
242.64200	1.4
249.07591	73.7
257.08105	2.5
261.08914	1.8
265.08667	1.6
269.09546	2.7
279.10040	1.5
281.15289	2.4
287.10220	3.3
287.12878	6.1
289.08627	2.4
304.10941	2.0
305.11749	4.6
317.08029	6.3
318.08484	1.4
323.12949	2.4
329.12097	1.6
329.21082	5.6
332.10461	4.2
333.11243	6.0
347.12799	52.4
348.13025	3.1
353.13873	1.9
365.13870	100.0
366.14188	3.7
403.19125	3.2
421.20145	19.9
421.25528	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	421.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62743	0.9
53.03939	2.6
55.01869	3.8
55.05510	8.3
56.96554	1.9
57.03434	2.9
58.31478	1.0
65.03925	1.2
67.05511	22.1
69.03432	2.8
69.07069	4.4
69.88588	3.9
71.04993	1.4
76.00703	1.1
79.05502	14.2
81.03424	9.0
81.07066	13.0
83.04976	3.1
83.08620	4.4
84.28846	1.0
85.02899	2.9
85.06557	1.8
91.05485	11.9
93.07042	10.9
95.04975	13.5
95.08624	8.8
97.02843	1.5
97.06552	1.9
97.10154	3.9
98.97597	2.5
99.08134	0.9
101.00884	1.9
103.05429	1.4
105.07038	9.3
107.04969	6.6
107.08606	6.4
109.06544	1.6
109.10164	13.4
117.07027	4.3
119.01925	3.0
119.04967	1.5
119.08595	8.5
121.06499	6.2
121.10153	4.6
123.08068	1.7
123.11780	1.2
125.05953	1.3
125.09634	2.9
128.06209	1.1
129.06999	3.8
131.01923	1.2
131.05013	1.0
131.08571	3.9
133.06464	1.2
133.10162	5.5
135.08075	2.9
135.11674	2.1
137.05980	1.4
143.08557	3.0
145.10103	5.3
147.08102	2.5
147.11674	3.9
149.02287	1.1
149.09625	2.1
155.08661	1.4
157.10098	4.0
159.08116	1.5
159.11713	3.0
161.09624	1.7
163.11235	1.8
165.09171	1.9
167.03392	2.9
169.10170	1.8
170.16386	1.0
171.07999	1.8
171.11787	1.2
173.11768	1.6
173.13177	1.3
175.11214	3.2
177.12790	1.6
187.00813	1.1
189.09164	1.9
189.11076	1.6
193.12224	3.2
195.11769	1.2
199.11203	2.1
203.10773	1.7
203.12761	1.4
205.12141	1.6
213.12784	1.3
221.05132	1.1
223.13283	1.8
227.05357	2.7
249.14926	1.4
269.12497	1.3
271.04156	6.9
301.21497	1.6
311.20068	3.7
329.21164	17.0
335.14594	3.6
347.22247	3.4
353.14490	1.8
377.15799	13.7
379.38010	1.0
385.23758	1.1
403.24799	12.2
421.14722	100.0
421.26215	16.3
422.15051	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1344
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.23965	0.6
55.01896	0.6
56.96557	1.6
57.03450	0.8
62.50621	0.6
65.69203	0.6
66.29073	0.6
69.03446	3.8
70.35926	0.6
70.45132	2.0
85.02919	3.1
87.04473	1.6
91.05474	2.4
97.02909	2.1
98.97592	2.1
109.02895	0.7
115.03928	1.1
116.98602	0.7
119.04920	3.1
123.05579	0.9
124.03940	0.6
127.03925	100.0
133.04962	1.2
140.16650	0.7
147.04413	9.9
148.04665	0.7
163.00114	0.6
191.52553	0.7
195.30583	0.6
212.96881	0.7
255.09679	0.8
278.94235	0.7
289.09290	3.2
322.60590	0.8
421.16757	6.1
421.33267	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0922
Annotation	8'-Hydroxy-3-methoxy isodiospyrin
Peak:m/z	Relative Intensity
55.01856	0.7
55.05471	1.7
56.96528	1.8
57.03413	0.6
58.99829	0.5
61.02885	1.4
61.05432	0.5
65.03922	0.6
67.05508	9.2
68.99793	9.7
69.03393	1.3
69.07038	1.2
70.65810	1.3
71.04948	0.8
73.02879	1.2
79.05501	3.7
81.03420	3.2
81.07058	3.8
83.04939	0.6
83.08610	0.7
85.02852	2.1
88.90821	0.4
91.03917	1.1
91.04986	0.5
91.05470	4.9
92.99779	6.5
93.07060	3.4
95.04976	3.5
95.08605	2.5
97.02831	1.9
97.10125	0.6
98.97568	1.2
105.07020	2.6
107.01347	2.8
107.04906	1.6
107.08545	1.6
109.02842	0.8
109.10165	4.5
112.29559	0.4
117.06981	0.8
119.04885	2.0
119.08538	2.0
121.02876	13.7
121.06474	0.9
121.10092	0.9
123.08055	0.7
128.98515	0.5
129.07002	0.7
131.00150	0.4
131.04060	0.6
131.04942	10.0
131.08487	1.7
133.06506	0.6
133.10089	1.4
143.08577	0.7
145.01794	0.6
145.02858	9.2
145.10110	0.8
147.04391	0.4
147.07980	1.0
147.11662	0.7
149.09529	0.6
153.01791	0.4
157.10100	0.9
163.03915	44.0
164.04297	0.5
169.02811	0.6
171.04402	0.8
173.11662	1.2
175.11150	0.9
187.03909	11.4
193.12177	1.6
197.00874	0.9
199.03908	0.9
213.01773	1.2
217.04948	0.6
229.04974	0.7
231.02921	4.1
231.08900	0.6
231.11038	0.6
243.09048	0.5
245.04506	7.1
249.14833	0.7
253.02480	0.7
253.04982	10.8
255.02934	2.7
269.04501	3.7
269.10645	1.6
271.05869	0.6
273.03961	20.0
287.11765	0.5
297.03955	47.4
298.04422	0.7
307.12128	0.9
311.19968	0.7
315.04999	100.0
316.05499	2.3
316.11868	1.6
329.21222	2.0
331.14966	0.9
335.12793	0.7
339.64856	2.3
340.15402	1.2
377.06454	1.6
383.39108	0.5
403.24780	1.5
420.67401	1.6
421.09241	84.8
421.25916	3.1
421.68448	0.8
422.09567	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	420.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.01884	0.4
55.05506	0.8
57.03428	0.5
57.07073	0.9
62.76480	0.4
65.03953	0.5
67.05515	2.7
69.03439	1.5
69.07072	1.4
69.33971	3.1
69.34386	0.9
70.44720	0.4
71.05012	0.5
79.05498	8.3
81.03445	0.9
81.07064	100.0
82.07367	0.8
85.02906	3.8
87.00840	1.6
91.59898	0.4
93.07065	1.1
94.22112	0.4
95.04990	0.4
95.06909	0.4
95.08614	10.2
95.09176	0.8
97.02904	1.5
105.01875	1.9
105.07037	0.5
108.04461	0.5
109.02889	1.1
109.10166	1.2
110.01535	0.4
127.03927	2.6
133.26833	0.4
137.13275	16.9
145.05023	1.5
159.02896	0.5
231.04991	1.0
241.15768	0.4
326.66171	0.5
333.85468	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.01866	2.5
55.05524	5.3
55.54237	2.0
56.52546	2.4
56.96548	4.1
61.02918	3.1
65.77795	2.0
67.05510	5.4
69.03433	5.1
69.07066	4.7
71.04999	2.8
71.55543	2.0
71.55983	2.5
79.05492	7.6
81.03393	3.5
81.06583	4.9
81.07064	100.0
85.02932	13.4
87.00819	3.1
91.05492	4.5
92.39642	2.4
93.07042	2.8
95.04997	3.1
95.08601	11.2
97.02879	5.5
98.97573	4.4
103.93774	2.4
105.01873	10.9
105.07033	6.1
107.08589	2.8
116.01713	2.4
117.06976	2.5
127.03932	7.3
135.08055	3.3
136.89023	2.0
137.13263	22.3
145.04948	5.8
145.10158	3.3
147.04434	4.4
163.11168	3.4
181.05161	2.6
191.10646	5.0
223.13148	2.7
231.05011	3.5
249.06081	3.0
273.12720	5.3
329.20972	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	420.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	14.1
55.05511	6.9
56.96554	9.3
57.15011	3.4
64.50850	3.1
67.05507	26.5
69.03429	4.6
71.04991	3.9
73.02931	4.2
79.05497	12.1
81.03424	46.7
81.07063	38.4
83.04961	4.9
83.08616	7.6
84.04500	5.0
85.02899	14.4
91.05480	11.6
93.07039	19.0
95.04967	14.3
95.08617	14.6
97.02894	6.7
98.97603	8.7
100.11274	6.1
100.86712	3.7
105.07046	8.1
107.04961	13.3
107.08606	7.8
109.06577	4.9
113.98684	3.4
116.93713	3.3
117.06965	3.9
119.04899	5.7
119.08598	6.8
123.04462	4.3
123.08112	11.3
131.08546	7.1
133.10173	7.1
135.11694	13.2
145.06476	6.2
147.04445	6.8
149.13260	9.3
159.11732	12.3
167.07025	4.6
169.10179	4.4
177.12801	9.9
187.11212	13.9
195.13857	12.5
205.12195	6.4
223.13286	51.8
241.14354	100.0
249.11212	3.4
251.77831	4.3
273.12704	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	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66602	1.0
53.03934	1.3
55.01886	1.1
55.05524	2.7
57.03441	2.0
57.07072	1.4
60.86523	1.0
65.00769	1.0
67.05514	6.6
69.03424	3.1
69.07057	4.4
69.44454	8.4
72.23630	1.2
73.02923	1.6
73.70932	1.1
79.05488	11.5
81.03407	3.4
81.07060	100.0
85.02901	7.6
87.00810	2.7
87.04470	1.4
87.56150	1.2
91.05463	1.8
93.07041	2.2
95.04961	2.2
95.08606	19.5
95.43555	1.1
97.02901	6.1
97.63987	1.2
98.21473	2.5
98.97630	1.2
99.04405	1.6
105.01878	6.2
109.02880	2.3
109.10152	3.2
127.03941	8.3
135.08075	2.0
137.13245	19.9
142.65135	1.3
145.05048	5.5
166.09526	1.3
193.12190	1.2
214.47382	1.2
223.16887	1.3
231.04993	1.2
273.12601	2.3
329.21149	2.7
420.28751	2.8
421.25781	2.2
431.33893	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.5
55.01875	0.9
55.05529	0.6
57.03424	0.8
57.07072	2.1
62.28371	0.6
67.05521	4.5
69.03441	3.9
69.07063	4.2
70.99770	1.1
73.02942	1.0
78.18335	0.6
79.05499	8.2
81.03422	2.1
81.07060	100.0
85.02916	11.3
87.00835	4.6
87.80395	0.7
89.68782	0.6
91.05474	0.8
93.07035	1.5
95.08611	19.3
97.02906	6.0
99.04458	1.5
100.44837	0.6
105.01862	8.0
109.02895	3.8
109.10167	1.7
127.03937	9.0
129.01840	0.9
137.13261	20.4
145.04980	7.7
159.02954	2.3
195.10301	0.7
231.04970	3.6
249.06238	1.0
258.27698	0.6
334.27774	0.6
426.93585	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
60.33746	1.4
71.54348	2.3
91.05472	5.1
101.00903	9.5
113.00895	1.6
115.02502	2.3
119.01933	14.1
119.04961	17.1
120.35324	1.4
129.00406	1.9
130.76466	1.4
131.01932	4.9
133.06490	2.7
143.01895	4.2
145.03532	2.0
147.01369	5.2
147.04424	100.0
148.04764	2.5
161.02971	4.0
179.05688	2.6
202.06387	1.5
205.03551	7.8
219.05055	2.8
223.04549	14.5
229.03493	7.8
236.67522	1.6
237.06056	3.4
241.05667	6.2
242.89713	1.5
247.04552	33.1
261.06110	4.8
264.07129	1.8
265.05618	69.8
265.42310	1.6
267.72638	1.5
279.07236	3.2
283.06610	9.5
288.07089	1.5
291.07169	1.7
307.06647	4.4
327.05734	2.0
379.05292	2.1
393.53183	1.6
397.06052	5.5
420.12994	2.7
437.00882	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96294	0.8
56.96569	15.5
61.02921	0.5
67.05505	0.9
69.07080	0.7
70.06585	1.6
71.55647	0.8
81.07037	0.6
88.07625	1.4
91.05512	0.9
93.04560	0.5
93.91412	0.4
95.04986	0.8
95.08601	0.7
102.09181	1.3
107.08560	0.8
107.39320	0.5
132.02074	0.6
136.01480	0.7
139.00713	0.6
147.04407	3.2
155.08595	0.5
161.93929	0.5
163.00670	0.7
164.98665	0.8
167.03381	0.7
175.03935	4.5
177.02284	1.6
179.00206	0.6
180.04099	0.6
181.01787	1.6
181.86774	0.6
182.99689	1.6
184.00497	0.7
193.01775	0.6
195.03320	2.1
197.01146	0.7
201.00659	2.5
202.98581	0.7
203.00304	0.9
205.01793	0.5
206.99678	5.2
207.03419	0.9
208.04051	0.6
208.97520	1.4
210.99156	1.4
213.00761	0.6
219.03308	0.8
219.06561	9.6
221.01227	1.6
221.98340	0.6
223.02664	1.0
223.34863	0.5
224.98546	0.6
225.00714	10.4
225.04216	0.9
226.98590	5.5
228.23233	6.0
229.00146	3.1
234.99182	1.0
237.04292	0.7
238.98509	0.7
239.99536	1.5
243.01740	8.4
243.06996	0.7
244.99672	1.9
245.08517	5.9
247.06216	0.6
248.02260	0.8
249.04387	0.6
253.00076	1.4
255.03175	0.7
259.06461	6.3
261.02792	0.8
261.08078	1.6
263.09558	15.4
265.03857	1.7
265.07614	1.0
268.10464	0.6
269.04596	0.6
269.08643	0.7
271.06323	0.7
273.04236	0.7
273.12775	0.9
277.04291	1.0
277.07477	11.9
281.10709	1.2
283.04929	1.6
283.08487	0.6
286.11197	1.1
287.02249	0.9
289.07382	0.7
295.02777	1.3
295.08566	3.9
297.04230	0.7
299.02252	1.5
303.01852	0.6
311.02444	0.7
311.09460	2.8
313.03873	2.3
317.03375	2.3
323.02222	2.6
328.02322	0.8
329.03238	3.6
329.10602	1.8
337.07407	3.1
340.99213	0.7
341.03369	13.3
342.03726	0.6
346.03442	0.6
347.04269	1.5
355.08527	6.4
359.04468	5.1
361.07535	1.3
373.09711	1.0
379.08536	19.3
380.08893	1.0
397.09616	100.0
398.09906	3.8
411.11212	0.7
415.10651	37.5
416.10965	1.5
420.11221	13.1
420.27536	9.9
421.11371	0.8
433.11740	2.4
438.12244	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	419.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
55.05511	0.8
67.05504	0.9
67.80301	0.6
69.07079	0.8
70.90023	1.2
70.90337	0.7
71.08632	1.0
76.79970	0.6
99.00779	0.7
99.04446	4.4
111.04464	3.0
117.78629	0.6
123.46130	0.6
125.05989	11.2
141.05504	4.9
149.02435	0.7
153.05476	100.0
154.05804	1.4
167.07030	1.0
251.04251	0.7
343.64999	0.8
390.56067	0.7
419.35193	28.5
420.35544	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
71.54126	1.1
71.91653	1.3
75.38193	1.3
91.05499	6.6
101.00904	9.2
113.00906	1.2
115.02409	1.8
119.01955	8.4
119.04945	21.7
128.01935	2.2
129.00365	2.6
131.01929	3.0
133.03442	1.7
133.06447	3.0
143.01921	3.2
145.03505	2.4
147.01382	4.9
147.04417	100.0
161.02933	2.2
177.05554	1.6
179.05583	2.3
193.03423	1.6
197.06560	1.7
203.49840	1.6
205.03487	12.5
207.05087	1.8
219.05046	2.8
223.04503	13.3
229.03568	8.1
235.04440	1.3
237.06091	2.8
241.05627	9.2
247.04579	27.7
255.98425	1.3
261.02408	1.5
261.06137	5.3
263.03992	3.5
265.05591	56.0
275.03604	1.5
279.07254	3.6
283.06525	6.2
287.03934	1.9
289.05713	1.9
291.03464	1.7
291.07016	1.7
305.04926	2.4
307.06586	2.2
323.06018	2.5
351.05563	2.3
379.05075	5.8
397.06195	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	419.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.8
53.25310	2.6
55.01881	14.8
55.05508	9.7
57.03435	9.0
57.06847	2.6
57.07081	22.9
59.04994	13.7
61.02924	3.9
67.05518	18.3
68.99800	6.4
69.03079	3.8
69.03435	49.5
69.07085	15.5
69.34629	7.8
69.35052	17.6
71.04989	8.1
71.08617	2.5
72.08156	3.0
73.02921	13.5
79.01851	5.5
79.05489	6.8
81.03424	37.0
81.07094	13.5
83.04987	4.1
83.08624	6.6
85.02915	90.7
85.06528	9.6
86.09750	3.5
87.00837	33.3
91.03958	3.6
91.05485	6.3
93.07046	10.5
94.52219	2.7
95.04952	5.8
95.08619	76.2
97.02893	32.0
97.06526	10.0
98.20778	5.8
98.97598	3.2
99.04456	19.0
99.08087	18.5
105.01855	19.5
105.07034	4.7
107.04964	16.3
107.08603	17.6
107.52227	2.5
109.02898	41.2
109.06538	9.0
109.10153	22.6
111.08068	7.8
111.11707	4.1
113.09650	59.5
115.03934	6.9
117.01836	4.3
119.04926	2.8
119.08595	3.2
121.02834	4.4
121.10114	3.3
123.04407	5.0
123.11674	4.6
127.03932	62.1
127.04850	2.3
127.11176	10.7
129.01836	4.2
133.10156	4.7
135.04405	6.0
135.11714	20.5
137.02332	17.4
137.09616	3.7
137.13251	9.2
145.04964	22.3
147.02870	3.4
151.04016	3.2
153.12759	100.0
155.14360	28.2
156.77037	2.7
159.02919	24.5
167.07014	6.5
171.13867	16.8
173.27661	2.8
181.04924	4.6
189.01895	2.6
191.07027	5.9
205.04996	4.2
213.14919	3.9
220.02502	3.1
229.05084	5.1
231.03015	3.5
231.05000	14.8
247.05974	2.9
252.09070	2.7
271.06070	5.2
272.06735	8.0
273.12628	3.0
299.05539	49.6
300.06293	33.9
311.05457	16.9
313.07001	25.8
318.56378	2.6
324.99707	3.3
325.07050	5.9
327.08594	6.8
329.06534	71.9
330.07227	3.9
337.07068	7.6
341.06516	7.5
343.07901	2.9
349.71866	3.0
353.06613	12.1
355.08276	5.3
359.07568	8.4
365.06711	7.5
383.07623	62.2
384.08139	3.2
391.07938	3.1
401.08707	39.0
419.09930	72.8
419.18906	24.1
420.09845	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	419.1894
Annotation	Asp Glu Arg
Peak:m/z	Relative Intensity
55.01858	1.7
55.05516	0.8
67.05501	2.1
69.03409	0.8
69.46426	2.9
69.46832	2.6
71.05002	0.7
79.05497	2.3
81.07030	1.4
85.02894	1.8
91.05496	1.4
93.07057	1.8
95.04987	0.9
95.08614	1.8
97.02878	1.1
98.21500	1.7
98.97588	1.3
105.07043	1.3
107.04958	1.4
107.08601	1.7
109.10192	1.0
119.01905	0.8
119.08581	1.3
121.02838	1.2
123.11733	0.9
129.06931	0.8
133.10138	0.9
135.08086	0.8
137.05928	1.1
139.03902	1.3
157.03445	0.9
167.07079	4.6
177.05461	2.3
181.04922	3.7
185.02983	1.3
191.07028	2.6
191.51817	0.8
205.08557	1.3
209.08188	1.8
217.08545	0.8
219.01920	0.9
219.10129	0.9
221.15503	1.0
246.92316	0.7
249.11281	1.5
279.69885	1.0
295.06125	2.1
305.14401	1.5
315.08817	1.6
330.11063	1.9
337.10916	1.1
345.08197	0.9
391.08252	1.2
419.07413	3.6
419.18893	100.0
420.19223	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	419.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.01870	0.8
55.05511	1.2
57.07064	1.0
65.03938	0.7
67.05498	1.4
68.99791	1.1
69.07074	1.4
71.08611	0.4
74.01841	0.3
78.04720	1.2
79.05515	1.6
81.03415	0.6
81.07055	0.9
83.01338	0.4
83.04967	0.3
83.08620	0.5
89.00595	0.3
91.05485	6.3
93.07048	4.9
95.04980	1.1
95.08584	1.6
103.05464	1.0
105.04481	0.4
105.07032	3.5
107.04920	0.6
107.08590	2.3
109.06516	0.7
109.10181	1.5
115.05489	1.0
117.07013	1.1
118.04133	0.6
119.04948	0.7
119.07798	0.6
119.08597	7.9
120.09384	0.7
121.06512	100.0
121.10110	0.9
122.06831	1.0
123.00807	0.3
123.04441	0.5
128.06244	0.8
129.07027	1.2
130.07834	0.5
131.04976	0.3
131.08575	1.2
131.23546	0.3
133.06500	7.3
133.10147	1.9
135.04437	1.3
135.08078	1.4
135.11705	8.4
137.09631	0.5
141.06969	0.3
142.07726	0.3
143.08601	1.3
144.05710	1.2
145.06485	0.9
145.10179	0.8
146.07272	0.3
147.04427	0.9
147.08058	2.3
147.11682	1.2
149.02367	0.5
149.05977	0.5
149.13281	1.0
152.53632	0.3
153.07043	0.3
156.09404	1.2
157.06464	0.8
157.10178	0.3
158.07224	0.4
159.08047	3.1
161.05991	20.5
161.09615	0.7
161.13226	2.7
163.11191	18.0
164.11574	0.3
165.05495	0.5
167.03447	0.6
169.01303	0.8
169.10150	0.5
171.08105	0.8
171.11705	2.4
173.06015	1.3
173.09680	1.0
173.13239	0.4
174.10388	0.7
175.07550	2.0
175.11276	0.7
179.07047	0.4
183.08075	0.3
185.06032	0.5
186.06792	0.6
187.07530	5.4
187.11133	0.7
189.01848	0.6
189.12733	2.8
195.03023	0.4
195.08170	0.4
197.09645	0.5
199.07503	0.5
199.11209	2.1
201.01688	0.4
201.05437	1.0
201.09145	0.9
203.03432	1.0
207.02893	0.5
213.12837	0.3
215.03462	0.6
215.07066	2.4
215.10719	1.3
215.14352	0.5
217.05042	0.7
217.12270	4.9
221.04463	1.1
225.05516	0.5
225.09006	0.6
227.03381	0.8
227.07022	0.5
229.04971	1.4
229.08627	0.5
229.12209	2.5
235.06113	0.5
235.13278	2.3
239.10629	0.9
241.12294	0.4
242.05817	1.1
243.06511	4.6
243.10277	0.7
245.04517	0.4
247.06053	0.9
255.06544	1.1
257.08142	1.4
257.11780	0.9
260.06763	0.9
261.07645	1.8
265.12479	0.4
267.10187	1.8
269.07800	0.5
285.11230	22.0
303.12277	17.2
304.12402	0.4
305.08401	0.5
305.19131	0.5
311.12756	0.7
323.19879	1.5
331.13336	0.5
341.11624	0.3
343.09726	0.6
349.17969	1.2
351.19452	0.5
357.35718	0.3
358.12009	1.0
359.12851	1.1
363.12375	0.4
373.18066	1.0
376.13083	0.4
376.69208	0.3
377.13403	0.6
377.17755	1.4
391.18961	0.7
401.17474	2.1
412.17566	0.3
419.18628	8.7
419.24042	0.4
419.39081	0.7
437.19733	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1341
Annotation	Isoliquiritin
Peak:m/z	Relative Intensity
53.03946	0.6
55.01867	1.8
55.05510	0.5
56.96559	1.1
57.03439	0.4
65.03931	0.9
67.05509	0.7
68.99783	1.1
69.03415	0.9
71.24809	0.7
79.05489	1.1
81.03423	3.0
81.07048	0.7
85.02897	1.1
91.05479	3.7
93.07009	0.9
95.04958	1.3
95.08604	0.8
96.27395	0.4
97.02853	0.6
98.97623	0.7
99.12772	0.4
103.05456	0.8
105.07020	1.2
107.04958	1.1
111.04425	0.6
117.03389	2.5
119.04942	7.6
119.08667	0.6
121.02907	0.5
121.10164	0.6
123.04443	1.6
124.05235	0.4
127.03854	0.4
131.04854	0.5
131.08609	0.5
133.06505	0.7
135.04433	1.2
137.02345	56.9
138.02704	0.6
145.06572	0.7
147.04416	25.4
147.11710	0.5
148.05095	0.5
149.05919	0.5
151.03880	1.2
153.05466	0.5
155.03394	0.8
158.02684	0.4
159.08034	0.6
161.06024	0.7
163.03922	2.2
165.07028	0.8
167.07047	3.0
171.08029	0.5
173.05974	0.6
177.00636	0.5
177.05492	2.2
181.04947	4.3
187.07501	0.8
191.07043	1.6
205.08559	0.6
209.08090	3.4
211.07530	3.5
213.08009	1.6
221.07990	0.4
223.06003	1.7
225.53639	0.5
231.09003	0.7
239.07147	4.1
242.05800	1.6
250.61781	0.4
257.08109	100.0
258.08310	2.3
275.08072	0.6
287.05560	1.1
299.07968	0.6
375.03793	0.5
384.03229	0.5
401.11493	0.7
401.16248	0.5
404.63165	0.4
409.82736	0.4
419.18481	0.7
440.53009	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0977
Annotation	8-C-alpha-L-Arabinosylluteolin
Peak:m/z	Relative Intensity
52.84713	1.1
53.03944	2.9
54.80667	1.1
55.01872	3.7
55.05521	1.5
56.96561	1.4
57.03432	1.1
57.07071	4.8
58.11213	1.2
67.05493	4.8
68.99797	2.0
69.03432	7.5
69.07056	2.2
70.06567	2.3
70.13476	3.1
70.13874	2.3
71.65160	1.1
79.01852	4.4
79.05489	3.7
79.78276	1.1
81.03423	7.0
81.07053	2.6
85.02914	12.3
86.09707	4.6
87.00840	3.2
87.08095	5.6
91.05517	2.8
93.03445	1.4
93.07037	1.9
95.04988	1.9
95.08641	7.7
97.02888	4.5
97.06516	2.4
98.20795	1.2
98.97561	2.6
99.04473	1.5
99.08097	1.3
105.01854	3.2
105.07041	1.6
107.04976	14.9
107.08604	2.7
108.02122	1.5
109.02904	4.8
109.06514	1.6
109.10139	2.8
111.08123	1.2
113.09650	6.4
115.03928	2.1
117.03362	1.7
119.04947	2.4
121.02883	5.2
121.06510	1.4
121.10214	1.6
123.04421	2.5
127.03935	4.8
133.02878	2.0
133.06436	2.5
135.04445	3.7
135.11707	2.1
136.05199	2.1
137.02350	20.3
137.06010	2.6
139.03816	1.5
145.05003	1.9
147.04446	2.0
149.02423	1.8
151.03943	1.5
153.12756	10.5
155.14307	2.0
159.02924	3.5
159.04338	1.1
161.02371	3.8
161.05977	1.9
163.03871	3.5
165.01804	1.9
165.05490	5.9
167.07068	1.5
171.13744	1.6
173.06000	2.1
175.03894	2.2
177.05524	2.0
179.03462	2.9
181.05023	7.8
187.03810	1.8
191.04922	1.5
193.05042	2.7
203.03395	1.5
205.04996	4.1
207.06598	1.9
208.07372	4.8
213.05594	2.0
217.05147	1.5
220.02396	2.3
223.06001	1.7
225.07593	3.0
226.08405	3.2
227.07095	1.8
229.05075	7.4
231.02875	3.1
231.04968	1.4
243.06551	2.1
247.06221	3.1
249.03947	3.4
255.06709	2.2
259.06030	2.1
271.05954	9.8
272.06818	10.3
285.08514	1.9
287.05725	1.3
295.06180	3.7
299.05524	67.0
300.06314	42.7
301.07068	2.5
311.05539	18.5
313.07068	38.4
314.04459	1.5
321.07523	3.3
324.06207	1.9
325.07022	6.7
327.08618	10.3
329.06592	86.6
337.07123	7.7
339.04993	2.6
341.06595	10.7
353.06589	26.4
355.08234	8.7
359.07736	14.3
365.06525	10.2
383.07645	87.6
387.11951	2.1
391.08109	4.0
401.08728	57.2
419.09818	100.0
419.18448	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	418.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	5.6
69.03421	1.4
70.06599	2.6
70.12592	1.3
70.12930	4.7
72.08162	1.6
76.02227	1.6
76.05275	1.2
79.05504	1.6
81.04547	2.7
84.04493	2.5
84.08147	2.1
84.96052	2.5
85.02894	1.8
86.09707	2.6
91.05486	2.6
93.07038	1.8
94.06573	2.0
97.06537	2.4
98.06038	4.2
98.21471	1.4
98.97592	13.0
101.58740	1.1
103.05470	7.6
107.04954	2.0
110.97578	2.2
116.98619	6.3
120.08112	100.0
122.05972	1.8
124.03963	4.3
127.04994	2.9
128.98610	2.5
131.04929	3.4
140.07076	5.5
147.04425	3.2
149.05968	1.7
152.07007	1.3
152.35953	1.2
158.99734	3.5
166.08646	46.5
177.00722	4.5
193.06487	1.4
196.02841	2.1
212.02576	1.2
214.03819	1.8
219.01743	6.7
237.02818	6.2
238.03752	3.4
239.02437	2.5
256.04901	5.9
257.03564	1.3
257.14984	2.8
279.03925	1.8
279.12286	3.6
281.03333	1.7
286.09195	2.5
298.06030	2.5
316.07059	1.5
332.06311	2.1
358.08139	3.2
408.41666	1.3
418.10474	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2123
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
52.62850	5.7
53.03949	14.0
54.42466	5.0
55.01886	13.1
55.05507	10.8
57.03437	18.7
61.02922	10.2
67.05504	45.0
69.03432	66.5
69.07057	12.9
70.70291	18.7
71.04993	27.4
79.05137	6.8
79.05506	70.2
81.03433	38.7
81.07061	82.3
83.04984	15.4
85.02906	43.2
85.06577	11.4
86.09708	10.2
88.36874	6.0
91.04963	10.2
91.05484	91.0
93.07048	68.8
95.04976	32.5
95.08617	26.8
97.02871	20.4
97.06519	24.2
99.04449	23.1
105.07038	63.9
107.04937	14.3
107.08599	43.5
109.02866	26.5
109.06548	30.2
109.10110	9.9
111.04443	7.9
111.08072	11.2
115.05413	8.8
117.07020	67.7
119.08597	59.2
121.06506	20.5
121.10165	39.6
123.08064	30.4
125.05956	5.6
127.03922	44.9
127.07512	6.0
127.11153	11.9
129.07011	14.4
130.07799	5.2
131.08574	47.1
133.06494	7.5
133.10146	60.2
135.08061	54.8
135.11691	25.6
136.08420	6.4
137.09517	5.9
139.07545	22.4
141.07031	6.6
143.08548	17.0
145.10153	34.8
147.08011	10.1
147.11655	18.2
149.09613	24.3
149.13254	9.1
151.11177	25.2
155.08546	15.9
157.08572	26.2
157.10127	26.1
159.08069	6.9
159.11729	40.6
161.09662	52.3
163.11166	36.9
164.88918	6.6
167.07089	36.4
168.09233	6.0
173.13240	24.7
175.11208	25.4
177.12773	24.0
179.10690	23.5
181.04942	16.9
181.12206	46.2
183.11719	36.3
191.07161	8.9
191.10677	6.3
193.10634	5.6
193.12267	34.4
195.13791	11.8
197.11778	22.9
201.12749	64.1
201.15909	5.8
211.13261	20.8
219.13820	100.0
237.14832	82.2
237.18619	8.6
255.15889	16.9
285.07532	35.1
310.96503	5.8
417.15588	13.6
417.24146	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	418.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
56.96569	5.2
57.03433	2.4
59.23503	1.6
62.06082	3.5
66.98701	1.7
68.99409	1.7
69.03426	2.8
69.06728	2.6
69.07075	31.5
69.26793	1.7
69.28334	1.6
70.06591	6.1
71.01354	5.8
71.54899	2.9
71.81908	1.6
73.02916	7.4
76.02223	4.4
84.04510	2.8
85.02900	21.1
86.09692	2.4
90.05573	3.9
95.01328	2.6
95.04931	2.3
97.02898	18.5
97.06536	8.4
98.97595	2.0
99.00765	2.4
103.03901	1.6
106.02934	2.0
106.86258	1.7
110.07234	2.0
112.07610	7.2
113.02369	7.6
116.98646	1.9
123.04435	2.5
124.03971	18.9
130.04974	3.4
131.03403	3.7
136.03958	22.1
140.07071	49.1
141.01866	3.7
141.05455	2.1
147.04410	4.1
154.05013	14.4
158.02684	6.8
159.02908	2.6
163.03880	4.6
168.06560	100.0
176.03699	2.5
193.06422	8.0
220.06012	4.4
228.08679	10.7
239.02237	6.5
242.10263	13.5
256.08267	2.3
258.82089	1.8
261.11237	2.5
263.02155	2.6
279.12372	6.6
281.03403	3.2
284.11148	1.9
418.13651	4.0
419.15170	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	417.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74903	0.4
55.05535	0.7
67.05516	0.5
71.15880	0.9
71.16222	0.6
71.58271	0.4
79.05504	0.5
85.02901	0.8
86.09695	2.3
91.05464	0.4
93.07085	0.6
98.97560	0.7
105.07024	0.7
105.95360	0.5
107.08601	0.4
109.02891	0.9
110.70911	0.4
119.01963	0.6
121.02882	0.8
121.10129	0.5
123.04452	0.8
127.03995	0.5
131.01932	0.6
134.99792	0.4
139.03897	1.0
147.04425	0.7
163.03938	0.5
165.01869	0.7
167.07079	1.4
169.05011	2.8
191.03485	0.6
211.91159	0.5
219.03142	1.1
221.05305	0.5
240.15842	0.4
255.06715	0.4
285.11813	1.1
297.07645	0.5
303.12863	0.7
306.42712	0.6
339.08661	1.2
417.17365	100.0
418.17520	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	417.1548
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03948	1.0
55.01874	0.9
55.05517	0.8
56.96558	0.6
65.03939	2.4
67.05510	3.4
69.03420	1.7
69.07065	3.6
69.89079	2.5
71.04976	0.6
78.04715	2.9
79.05494	3.5
81.03418	1.2
81.07056	2.8
82.04182	1.7
84.08141	1.8
85.02908	2.7
91.05482	3.8
93.07037	1.7
94.01141	0.6
95.04956	2.0
95.08601	1.3
97.02878	1.0
97.06518	1.9
103.05480	5.2
105.03362	1.0
105.07020	2.2
106.04173	2.0
107.04948	4.6
107.08588	1.1
107.37666	0.6
108.02061	0.7
109.02903	0.8
109.06496	0.6
109.10132	0.7
110.03661	1.5
111.04459	0.6
115.05453	4.2
117.07009	5.4
118.04160	1.6
119.04890	0.8
119.08575	0.7
120.04629	0.5
121.06512	1.4
121.10151	1.2
123.04437	7.3
123.11674	0.7
124.05219	2.2
125.05976	2.1
127.05429	1.2
131.04924	5.4
133.02840	0.7
133.06496	1.2
134.03595	0.6
135.08009	0.5
137.05989	1.3
138.03122	1.0
142.02640	1.4
144.05696	0.7
145.06490	9.6
146.03641	0.8
147.08035	0.9
148.05200	3.7
149.05917	0.7
151.03911	1.6
152.04662	2.1
153.05440	1.5
155.06056	4.0
159.07974	0.5
161.06032	1.3
163.07547	5.1
167.07047	100.0
168.07387	1.1
171.06540	1.4
173.05989	14.3
175.07555	1.1
176.04700	0.7
181.04967	44.3
191.07034	17.7
191.08778	0.6
195.06511	1.2
201.05530	1.3
205.08611	3.8
207.10117	0.7
209.08170	0.7
217.08597	0.9
219.10228	1.2
233.08078	8.9
235.09648	3.8
237.18549	1.0
241.08762	0.7
245.08124	0.7
255.06647	0.7
255.19595	1.2
258.08795	0.5
263.09207	0.7
264.08051	0.8
269.08047	0.5
271.05716	0.8
283.05865	0.6
284.06781	0.7
320.10959	0.9
329.10684	0.5
329.15848	1.4
367.11505	0.6
381.09393	0.9
381.13547	0.8
385.12711	0.6
387.14417	12.9
397.99780	0.6
399.14612	0.9
399.32172	0.7
404.17581	0.5
417.15427	23.9
417.20981	17.3
418.15756	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01855	1.0
55.05486	0.5
61.02877	0.4
65.03932	2.5
67.05479	1.6
69.03410	1.0
69.44656	0.3
71.05000	0.4
71.55365	0.5
77.03938	0.5
78.04716	2.8
79.05499	2.7
81.03416	0.8
81.07039	1.7
82.04189	0.5
85.02909	1.9
91.05476	1.6
91.06784	0.4
93.03391	0.9
93.07022	0.8
95.04967	1.0
95.08588	0.9
97.02866	0.5
97.06541	0.9
102.04697	0.4
103.05468	3.0
105.03376	0.8
105.07017	1.0
106.04193	2.0
107.04961	2.7
108.02069	0.4
109.02863	0.5
109.10151	0.5
110.03643	1.1
111.04426	0.4
113.38124	0.4
115.05447	4.2
117.07020	7.2
118.04195	0.9
119.08570	0.5
121.06472	0.4
121.10098	0.7
122.03671	0.6
123.04437	8.3
124.05242	3.2
125.05998	0.6
127.05450	1.0
130.04053	0.5
131.04927	2.6
131.08549	0.5
132.05740	0.4
133.06490	0.4
133.10095	0.5
135.04456	0.6
137.05977	1.0
138.03133	0.6
142.02644	0.8
144.05675	0.6
145.06485	8.1
146.03653	0.7
147.04469	0.5
147.08067	0.8
148.05179	2.2
149.13185	0.4
151.03912	1.8
151.07578	0.5
152.04721	2.2
153.05432	0.7
155.04944	0.7
155.06053	4.1
163.07544	2.2
167.07051	100.0
167.36162	0.4
168.07407	0.9
171.06531	1.0
173.06000	15.9
175.07486	0.6
177.05568	0.4
181.04968	29.4
182.05341	0.5
191.07030	7.0
201.05446	0.9
205.08586	3.9
209.08078	0.5
221.08124	0.8
233.08081	7.9
235.09723	3.4
252.06152	0.4
323.19669	0.4
325.10971	0.4
353.48120	0.4
385.13361	0.4
387.14423	12.9
399.14877	0.5
417.15601	27.9
417.20969	3.4
418.16061	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1544
Annotation	Schisantherin P
Peak:m/z	Relative Intensity
55.88046	2.4
56.96563	4.4
57.38164	2.3
59.58609	2.4
60.76273	2.0
66.09091	2.3
67.05518	6.3
69.03414	2.8
69.07060	7.9
79.05474	4.5
81.07058	4.0
83.01368	2.4
83.04981	12.6
91.05490	3.6
93.07030	3.7
95.04979	5.5
95.08606	4.4
97.10232	2.4
98.20763	3.9
99.04514	2.7
107.04985	2.7
111.04465	8.1
117.06924	2.1
119.08573	2.7
121.06493	4.0
122.03650	4.6
124.01589	3.4
127.65547	2.6
129.07019	3.4
131.08583	3.5
135.11736	2.8
137.05975	41.9
142.07692	2.3
149.06068	3.3
153.05478	3.5
154.02625	8.2
161.05949	4.1
167.03406	9.4
167.07037	5.0
169.04971	39.8
180.00522	21.8
181.04991	2.5
194.02121	3.7
195.02902	95.2
198.01614	63.7
199.07689	3.0
209.04417	13.1
213.03943	100.0
227.07065	6.2
229.00438	3.0
237.03906	3.6
251.09119	18.8
255.06471	5.3
257.04514	5.3
272.06824	7.3
287.09137	15.5
289.06967	5.6
297.07367	3.9
300.06351	4.1
302.07745	4.0
315.08572	26.6
343.08139	65.5
361.09116	32.3
417.26260	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	417.1549
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
51.24972	0.4
53.03947	0.7
55.01872	0.5
56.96568	0.4
65.03938	1.7
67.05501	1.3
69.03425	0.6
70.02952	0.5
71.44804	0.5
78.04722	3.1
79.05500	1.3
81.03430	0.9
81.07063	0.6
82.04187	0.4
83.04996	0.4
85.02900	1.9
86.09715	0.7
91.05494	1.8
93.03399	0.7
93.07060	0.4
95.04972	0.9
95.08606	0.5
97.02917	0.7
97.06530	0.7
103.05468	2.2
105.03426	0.5
105.04587	0.5
105.07050	0.6
106.04202	2.1
107.04959	1.8
110.03670	0.7
111.04483	0.5
115.05460	3.7
117.07024	5.7
119.08599	0.4
121.06499	0.5
121.10130	0.7
123.04447	6.8
124.05229	2.0
125.05991	0.4
127.03910	0.5
127.05466	1.0
131.04942	0.7
131.08597	0.4
134.03656	0.5
135.04434	0.7
137.05991	1.4
138.03116	0.4
139.03911	1.3
145.06497	8.8
151.03889	2.0
152.04741	2.2
152.05768	0.5
153.05467	1.0
155.06062	3.7
160.60252	0.4
161.06026	0.8
163.07593	0.7
167.07056	100.0
168.07405	0.9
169.05013	2.3
171.06546	0.8
173.05998	16.4
173.87529	0.4
175.07553	0.5
181.04976	19.8
189.09116	0.4
189.62167	0.4
191.07043	2.3
201.05482	0.9
205.08607	3.2
233.08081	8.1
235.09694	3.9
267.06470	0.8
293.08292	0.5
297.07678	0.8
307.09830	0.8
325.10767	0.4
339.12198	1.1
355.11624	0.5
355.39072	0.4
373.18320	0.8
387.14423	13.6
388.14828	0.5
390.89093	0.4
399.10599	0.7
417.15512	27.1
418.15759	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1182
Annotation	Puerarin
Peak:m/z	Relative Intensity
53.03934	1.0
55.01875	1.1
64.81565	0.7
67.05497	1.3
69.03438	0.9
69.20330	4.6
69.20752	3.7
70.25076	0.7
75.77510	0.9
76.53935	0.7
78.58024	0.8
79.01849	5.3
81.03413	3.0
85.02914	1.5
95.04956	0.8
95.08633	0.9
105.03394	14.9
107.01322	0.8
109.10191	0.9
117.18258	0.8
121.10191	0.8
129.03400	2.0
147.04413	1.4
149.02361	1.2
163.03955	0.9
165.01834	2.1
167.07083	4.5
171.02884	1.0
175.03815	0.8
177.01826	0.8
181.04977	2.4
183.02908	1.8
187.03854	1.2
195.08025	1.1
197.05966	3.6
205.04855	0.8
211.07527	3.4
212.08316	1.8
213.05515	0.9
217.04941	3.9
225.05484	1.7
227.07054	3.4
239.07077	7.9
240.07784	10.6
243.02797	2.5
243.06476	2.1
244.07413	0.8
251.10829	1.0
254.05736	1.1
255.06561	4.3
261.03903	2.7
263.07126	1.0
267.06534	81.3
268.07306	43.8
269.08029	3.3
279.06534	16.8
281.08066	19.5
282.05450	1.9
291.06540	1.6
292.07361	3.9
293.08041	5.8
295.06042	3.8
295.09451	1.4
297.07584	100.0
298.07813	1.5
305.07761	1.1
307.05991	3.4
307.09595	22.8
308.10007	0.9
309.07370	4.6
321.07571	24.7
322.07861	1.1
327.08755	4.8
333.07715	1.5
335.09216	5.5
339.08698	1.7
351.08640	21.3
363.08673	14.1
381.04858	1.5
381.09705	33.0
399.10767	50.5
400.10910	1.9
417.11783	65.9
418.12173	1.7
442.41687	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1183
Annotation	Chrysin 6-C-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03934	1.1
55.01859	1.0
55.05511	0.7
56.96565	1.1
57.03438	0.6
65.03951	0.6
67.05503	2.5
69.03424	0.6
69.07059	2.4
69.79862	1.9
69.80276	0.9
79.05504	1.9
81.03418	1.0
81.07062	3.3
85.02876	0.8
85.06531	0.7
85.29691	0.5
91.05492	1.6
93.07051	1.2
95.04980	1.2
95.08616	1.5
97.02897	0.7
98.97599	0.9
103.05486	1.5
105.07060	1.3
107.04961	2.2
109.06513	1.7
115.05412	0.7
117.07061	1.4
119.04960	0.7
119.08591	0.9
121.02879	0.5
123.04446	2.1
125.06008	0.8
127.00370	0.6
131.04955	0.7
133.06483	2.1
135.08073	1.0
137.02361	27.3
137.03435	2.0
137.05995	1.0
144.05801	0.5
145.06497	1.9
147.04446	0.8
147.08122	0.7
149.05939	0.9
151.03972	0.9
155.05952	0.8
155.07036	1.5
159.04549	0.6
159.11818	0.7
161.06003	6.8
163.03821	0.6
163.07582	1.1
167.07060	17.1
173.05942	3.2
175.03885	0.9
177.05423	0.8
179.06929	0.7
181.04916	5.2
190.06305	1.6
192.03810	0.6
201.05470	1.3
203.07068	1.7
205.05003	1.8
205.08800	0.8
215.07231	0.8
215.10686	1.4
217.05049	0.7
218.05757	1.1
219.02866	5.4
223.02292	0.7
223.06218	0.8
229.07210	0.6
233.04497	1.8
233.08110	2.5
237.03983	0.8
241.07080	1.2
262.18515	0.5
267.06607	0.7
267.09418	0.7
269.10663	0.7
274.04880	0.8
283.08176	2.4
283.10944	1.3
293.08191	0.8
301.11938	1.4
302.04190	0.9
310.08173	0.7
313.07047	2.0
319.12994	1.4
321.07709	1.0
323.05634	1.1
327.05045	1.4
330.03769	4.6
331.04443	0.9
339.08554	1.4
341.06638	0.8
342.03693	1.8
343.04416	1.2
345.06067	11.4
353.06564	0.9
355.04449	5.6
356.05252	1.5
357.06226	3.1
357.13190	0.9
366.07388	1.5
367.08041	1.4
368.09293	0.7
369.06094	46.9
370.06476	1.5
381.09424	0.8
383.07898	1.5
384.08496	2.6
387.14478	2.2
399.10779	100.0
400.11047	2.4
417.11697	3.6
417.15646	3.2
429.85248	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40181	0.5
59.26522	0.5
69.03410	1.3
69.74974	2.3
70.20428	0.5
70.41859	0.5
70.99815	0.5
78.87084	0.6
81.03404	1.6
97.02873	2.0
98.97572	0.9
101.00883	0.9
109.02893	3.1
113.03497	1.0
119.01897	1.2
120.95415	1.3
130.57204	0.5
131.01901	0.7
133.03442	0.7
138.05508	0.6
138.96429	6.8
145.03403	0.6
153.53381	0.6
156.97493	29.9
157.03435	1.5
157.97536	0.7
164.97971	1.8
174.98553	11.9
175.04564	0.7
176.97995	1.2
179.98979	0.7
180.97488	9.0
182.99062	17.4
184.97009	1.1
185.02942	0.5
194.97267	0.7
194.99052	14.3
196.96988	3.5
198.98555	27.1
201.00105	7.3
203.03955	0.6
204.97433	1.3
206.98882	0.6
210.98598	1.7
213.00110	36.3
214.00249	0.9
216.99619	3.1
221.05037	1.2
222.98582	4.5
225.00043	1.4
231.01289	2.5
240.99582	5.3
246.98488	0.7
259.00638	1.0
264.99573	1.6
283.00699	2.8
301.01715	100.0
302.01938	3.0
319.02686	3.9
331.86743	0.7
357.04343	83.9
358.04712	3.7
373.88065	0.7
375.05298	3.6
416.87686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.0
55.01880	10.0
55.03051	1.0
55.05531	1.3
55.51257	1.0
55.56717	1.0
56.96562	1.9
57.03443	6.0
57.51320	1.0
59.90953	1.1
60.04514	1.2
61.02932	7.5
67.05532	1.1
68.99790	4.4
69.03432	34.4
69.07077	1.7
69.35249	4.4
69.35673	4.1
71.05004	5.5
71.51649	1.0
73.02921	7.0
79.05479	2.5
81.03422	30.3
81.07055	2.7
84.65517	1.2
85.02910	100.0
86.09743	1.4
86.10566	1.2
87.00836	34.9
87.01357	2.1
87.04457	2.1
91.03955	2.6
91.05482	2.5
91.39471	1.2
95.08609	1.7
96.34854	1.0
97.02901	33.7
99.04459	14.3
103.03927	1.5
105.01868	38.4
107.04967	1.8
108.04465	8.2
109.02885	32.3
109.06521	26.9
109.10179	1.8
115.03854	1.4
117.01862	5.0
119.08597	1.8
126.05509	4.2
127.03924	70.3
129.01857	4.3
137.05914	1.1
145.04965	42.1
147.02904	4.2
151.11205	13.0
159.02896	23.6
159.55232	1.0
163.11139	1.9
167.07095	6.6
168.53041	1.3
181.04997	3.7
189.04008	2.2
191.07030	1.5
192.55327	1.1
199.73219	1.0
211.69702	1.5
213.04016	3.6
230.06636	1.8
231.05002	18.9
248.07681	3.7
387.14194	1.5
399.60846	1.0
416.28757	6.9
417.15549	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	416.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
65.65403	0.8
67.05503	2.5
69.07059	1.5
69.19425	5.2
69.19839	3.5
72.24763	0.9
79.05502	1.6
79.77517	0.9
83.08641	0.9
93.07071	1.1
95.08630	6.2
105.07029	1.3
107.04967	7.9
109.06449	1.1
119.08587	4.1
120.08904	1.2
121.06490	1.3
122.07310	9.8
123.08084	10.5
135.08080	3.4
137.06003	2.5
138.06784	1.6
145.10139	0.9
150.06763	26.1
151.07555	100.0
152.08398	5.8
163.07520	1.4
163.11212	1.3
164.08296	2.0
165.09120	1.0
176.08337	1.2
177.09143	2.6
191.10690	15.9
205.12228	1.5
357.30301	0.9
373.30905	1.1
416.36530	75.4
417.36801	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	415.2306
Annotation	Pro Ile Trp
Peak:m/z	Relative Intensity
52.54522	0.4
60.02661	0.4
67.05513	1.0
69.03433	0.7
70.06609	0.6
71.55264	0.8
71.95295	0.4
72.08141	1.7
79.05491	1.1
81.03440	0.5
81.07085	0.5
83.08580	0.5
84.08186	0.6
85.02909	1.1
86.09718	2.8
91.05482	0.9
91.08974	0.5
93.07017	0.6
95.08620	0.7
98.97621	0.6
99.04500	0.5
99.71115	0.5
105.01907	0.5
107.05031	0.5
109.02899	0.6
109.10173	1.0
110.56992	0.5
114.38667	0.5
119.78811	0.5
121.02856	1.7
121.10070	0.6
137.05975	1.3
137.09531	0.4
145.10136	0.5
163.03877	0.8
165.01888	2.1
167.07147	0.6
181.05052	0.7
183.02983	0.5
253.14076	2.6
271.06042	0.7
281.08221	0.9
283.06064	12.5
283.09085	0.8
284.06757	1.2
295.06186	2.1
297.04233	0.5
297.07507	0.9
307.06113	0.5
308.06906	0.6
309.07526	3.8
313.07230	1.5
323.09256	1.8
325.07401	0.5
329.16241	0.5
337.07059	5.9
343.11823	0.5
349.07205	1.5
361.07269	1.3
363.05234	0.5
367.08044	2.5
379.08325	1.7
397.09183	2.8
397.16690	0.8
415.11362	4.9
415.23117	100.0
416.23276	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	415.231
Annotation	Pro Ile Trp
Peak:m/z	Relative Intensity
55.05519	0.7
66.78481	0.4
67.05501	0.8
69.03422	1.0
69.25767	3.2
69.26183	1.0
70.06589	1.0
79.05490	1.3
81.07066	1.1
83.08642	0.4
85.02911	0.8
91.05506	0.8
93.07046	1.3
95.08602	0.6
98.20818	1.1
98.97614	0.6
105.07043	0.6
107.05002	0.4
107.08627	0.9
109.10161	0.8
119.08609	0.7
131.14554	0.5
133.10214	0.8
135.11725	0.6
137.05968	0.7
150.97095	0.4
165.01904	0.5
167.07018	0.5
181.04941	0.6
195.06523	0.6
203.05336	0.8
253.17894	0.8
283.06104	3.5
295.06042	0.9
309.07565	1.2
310.40540	0.5
323.09094	0.9
337.07059	1.3
379.07928	0.9
397.22070	0.9
415.23087	100.0
416.23129	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	415.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47963	0.6
55.05499	0.7
56.96560	0.8
57.03456	0.9
57.88039	0.6
58.33799	0.6
67.05502	1.1
68.99807	0.6
69.03453	1.5
70.06618	1.4
71.55773	0.9
72.08175	1.9
73.02961	0.6
79.05519	1.2
81.07075	1.5
82.16626	0.6
85.02930	2.3
86.09727	2.5
89.16324	0.6
91.05502	1.7
93.07082	0.8
95.04970	0.8
95.08615	1.0
97.02927	1.3
98.97615	0.7
105.07048	1.1
107.04966	1.3
107.08611	0.9
109.10172	1.8
110.07156	0.8
119.04982	1.4
119.08604	0.7
121.02927	2.0
121.10160	0.7
121.73153	0.7
123.08080	0.6
127.03957	1.0
131.08618	0.8
133.10185	1.1
137.06006	1.1
137.09645	1.6
149.09721	1.4
163.03955	1.4
165.01956	2.7
167.07159	0.8
181.05029	1.2
183.02890	1.2
185.22141	0.7
191.03358	0.6
203.05255	0.6
213.16008	1.1
217.08598	0.8
243.02808	1.0
245.49562	0.8
253.14163	6.7
259.09552	0.7
271.06128	0.9
273.11234	1.0
281.08206	2.1
283.06036	23.0
284.06812	2.5
295.06122	2.8
297.07587	1.1
308.07001	1.0
309.07584	6.8
313.07037	1.0
323.09323	3.5
325.07507	0.9
337.07062	9.6
349.07361	2.0
351.08783	1.1
361.07260	2.2
367.08340	4.6
371.16818	0.9
379.08267	5.1
397.09195	5.1
415.11218	6.7
415.23224	100.0
416.23578	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	8.6
57.07079	13.1
67.05496	11.0
69.03425	15.5
69.07044	5.3
70.06591	8.6
71.04989	7.8
71.55856	9.8
72.08130	7.2
79.05490	13.4
81.03419	9.7
81.07037	13.5
84.08158	6.5
85.02918	32.7
85.06547	8.4
86.09716	22.3
91.05508	20.7
93.07050	19.8
95.08602	15.0
97.02904	8.6
98.97588	5.8
105.07033	17.2
107.04981	13.8
107.08592	8.9
109.02899	8.3
109.10169	8.8
110.96068	5.4
117.07034	9.1
119.04951	13.8
119.08594	8.4
120.38818	5.7
121.02877	15.3
121.10180	9.2
123.04496	8.5
125.05905	5.9
127.03922	8.1
128.06247	6.4
129.07047	12.9
131.04948	8.1
131.08614	13.5
135.04533	5.5
135.08075	6.8
137.05978	83.3
139.03967	9.7
141.07005	11.0
142.07797	7.0
143.08632	6.2
145.06448	7.3
147.04422	12.7
149.06006	6.8
151.03983	5.4
151.07573	13.8
157.06497	5.6
157.10115	6.6
159.08032	13.8
161.05962	26.2
165.01828	11.8
165.09135	6.1
167.07045	9.6
169.06529	6.8
170.07349	5.9
174.06752	9.7
175.07701	8.5
183.08136	6.5
184.08888	6.3
185.05911	7.7
185.09612	14.2
185.13005	5.5
187.07515	11.8
189.05431	9.8
189.09128	15.5
193.08646	18.3
195.02979	8.0
197.09627	20.2
198.06767	24.6
199.07494	13.6
201.05539	7.2
201.09113	17.6
209.11716	7.2
211.07568	6.7
212.08359	11.3
213.09097	38.9
215.07036	6.9
215.10498	7.6
217.08612	11.2
219.10127	11.4
225.09062	13.3
231.10226	14.8
243.10161	31.9
247.09755	9.4
253.10883	20.7
253.14101	36.3
255.06445	7.0
255.10164	8.1
259.09698	19.5
260.29053	5.9
263.09149	7.9
265.10797	21.3
267.06256	6.3
271.09875	6.3
271.13785	6.6
273.11261	97.0
277.10785	24.2
282.15225	6.8
283.06006	100.0
295.06003	27.8
295.08963	6.6
301.10718	12.2
309.07632	23.9
313.07101	13.3
319.11627	22.1
323.09219	16.7
331.11990	29.0
337.06992	40.4
343.11761	9.3
361.06833	8.0
367.08224	21.3
367.15515	8.8
371.16873	17.4
379.08246	21.7
379.14334	8.4
397.09198	24.7
397.16605	85.8
415.10202	22.2
415.14667	13.0
415.18658	93.4
415.23181	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	415.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.4
64.65721	0.4
70.13527	0.3
71.06259	0.8
91.05430	1.6
95.04911	0.4
96.69930	0.4
108.02040	0.4
109.02835	0.5
116.35921	0.4
117.06979	0.6
119.08582	22.4
121.02816	1.2
124.05175	0.4
137.05968	4.2
143.05049	0.3
144.05632	0.4
149.02351	0.5
151.02794	0.5
151.03915	7.7
151.05032	0.4
155.89897	0.4
164.04655	0.9
167.03357	0.8
168.04137	0.4
177.05479	0.7
180.00476	1.0
181.01218	0.4
187.79024	0.4
195.02800	2.2
198.01553	1.0
214.06262	0.5
215.06966	0.5
217.04922	0.8
227.03429	0.7
239.03461	0.4
241.05069	0.4
242.05806	0.5
243.06512	0.6
245.04471	0.6
245.45747	0.4
253.04811	0.4
255.02911	0.4
256.03665	0.6
257.04462	1.0
259.05890	0.5
260.06866	1.7
269.04373	1.0
270.05258	0.7
271.06067	0.9
273.03891	3.1
285.03940	0.5
287.05579	0.8
288.06290	3.8
298.04605	1.2
301.03433	5.7
303.08707	0.6
315.05051	1.2
316.05743	10.2
326.04330	1.1
327.04828	0.4
329.02963	2.3
331.04663	0.5
343.04498	3.4
344.05276	33.3
345.05859	1.8
357.06079	0.4
359.07611	100.0
360.07971	2.4
415.13895	26.7
416.14182	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1391
Annotation	yahyaxanthone
Peak:m/z	Relative Intensity
61.56638	0.3
70.79590	0.8
70.79929	0.5
75.40221	0.3
76.91663	0.4
91.05482	2.4
103.05469	0.5
117.06992	0.7
119.08595	25.8
121.02837	1.5
124.05240	0.4
127.25251	0.3
137.05995	3.4
141.67773	0.3
149.02364	0.4
151.03922	5.6
151.05025	0.6
164.04703	0.5
167.03371	0.6
172.05206	0.4
180.00558	0.6
195.02917	1.7
198.01697	0.6
199.03963	0.5
200.04575	0.4
214.06122	0.5
217.04961	0.7
227.03268	0.5
228.04128	0.5
245.04427	1.4
257.04614	0.6
260.06830	2.0
271.05966	0.7
273.03940	8.7
285.03885	0.6
287.05392	0.5
288.06235	1.8
298.04776	1.0
299.05429	1.0
301.03445	22.2
315.04968	1.0
316.05759	5.6
324.65146	0.4
326.04285	1.3
327.04559	0.4
329.02945	5.0
342.03918	0.4
343.04514	2.7
344.05298	34.2
345.05701	1.9
359.07639	100.0
360.07907	3.6
370.57614	0.4
415.13913	26.9
416.14163	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25349	0.3
51.78562	0.3
55.01872	1.9
56.05019	0.3
56.98900	0.3
63.31820	0.3
67.04242	0.4
69.03427	0.5
69.08826	0.3
70.66293	0.7
70.66657	0.5
72.04501	0.5
74.00669	0.9
80.05017	2.2
80.62030	0.3
84.04509	4.9
85.04035	0.3
85.85159	0.3
90.05548	1.2
92.01726	0.8
93.05794	9.8
94.06578	4.4
96.08107	0.4
98.00636	1.1
98.41436	0.3
99.02673	0.8
109.01103	0.3
110.06048	0.6
111.01437	0.4
124.02219	0.7
126.03750	100.0
126.05550	4.2
127.04076	0.8
127.05034	3.9
128.05293	0.5
129.06610	0.5
130.04988	2.0
135.02618	0.4
136.09932	0.9
137.90271	0.3
142.58568	0.3
144.06578	6.6
145.06058	1.5
147.07680	0.6
147.81902	0.3
152.05302	5.2
158.02751	0.4
159.07695	0.4
169.07973	2.6
173.03842	0.5
179.06418	0.5
180.04787	5.1
185.03870	0.8
191.04871	6.9
193.06483	0.4
196.08969	0.3
197.07414	2.2
203.90219	0.4
231.04375	1.8
235.09023	1.4
269.09601	2.5
286.12195	7.0
302.08185	0.5
326.11603	0.9
397.15448	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1027
Annotation	3'-Deoxyderhamnosylmaysin
Peak:m/z	Relative Intensity
55.05586	0.8
56.96649	0.7
61.03019	0.5
61.76818	0.4
67.05283	0.4
67.05591	0.8
69.03525	0.8
69.06834	0.4
69.07184	1.1
71.05070	0.5
71.37988	0.5
73.64381	0.4
74.31942	0.4
79.05605	0.7
81.03508	0.8
81.07195	1.1
83.05048	0.6
83.73867	0.4
85.03012	0.7
91.05563	0.6
93.07174	0.7
95.05058	0.5
95.08746	1.0
97.03001	0.8
98.97769	0.4
99.08239	0.4
99.91248	0.4
105.07156	0.7
107.08718	0.4
113.06126	0.5
116.98732	0.5
119.08737	0.4
121.03006	0.6
121.09158	0.3
121.10240	0.7
123.04590	0.5
123.08186	0.6
125.04121	0.4
127.51091	0.4
131.05083	0.7
131.08656	0.4
133.06682	1.5
133.10216	0.4
137.02525	2.9
137.06148	0.7
151.04092	1.4
157.01526	1.1
159.04593	1.2
161.06097	0.5
173.06081	0.8
177.05620	0.8
189.12930	1.2
191.03555	0.7
193.01512	0.6
197.09790	0.4
198.01768	0.4
199.06339	0.4
215.10945	1.1
227.05644	0.4
235.02510	1.1
253.05215	0.5
255.09221	0.7
269.04626	1.0
271.06039	2.5
273.04178	0.6
283.06012	0.6
285.10321	0.5
287.81989	0.4
297.04199	0.4
301.03745	1.1
311.05557	1.1
316.05991	1.1
327.12231	3.6
329.06705	0.8
339.04944	1.0
342.03586	2.2
343.04535	15.2
344.05237	5.2
344.09076	0.4
357.06042	6.5
359.07623	13.9
365.16498	0.5
367.04523	0.5
368.05344	0.5
383.07657	2.3
385.05557	65.3
386.05704	2.0
397.09161	1.2
397.16299	1.1
400.07910	10.6
415.10193	100.0
416.10483	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1005
Annotation	3'-Deoxyderhamnosylmaysin
Peak:m/z	Relative Intensity
52.58384	7.8
70.12351	16.1
70.12727	18.9
78.03194	7.5
97.56023	8.4
106.09881	7.5
106.98505	7.7
112.89662	9.8
124.18751	7.1
129.12834	6.9
153.64914	8.4
328.77081	9.6
415.10004	100.0
415.15155	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	415.1026
Annotation	1-OH-Nogalamycinone
Peak:m/z	Relative Intensity
50.62590	0.2
53.03923	0.3
55.01869	1.1
57.03397	0.6
61.02893	0.4
65.03929	0.3
67.05483	0.3
68.99787	0.9
69.03383	0.6
71.55823	0.3
72.06054	0.1
76.01851	0.2
79.01835	0.3
79.05454	0.2
80.34853	0.2
81.03419	0.9
85.02896	1.3
91.05480	1.3
92.99751	0.2
93.03378	0.2
95.04941	0.5
97.02843	0.8
102.20866	0.2
103.03885	0.2
103.05428	0.2
105.03318	0.2
107.04922	0.5
107.76237	0.2
109.02873	1.3
111.04407	0.2
119.04953	3.8
121.02873	8.3
121.03753	0.3
123.00789	0.5
123.04459	0.2
131.04860	0.6
135.04370	0.7
137.02289	0.4
141.01837	1.3
145.02850	3.4
147.04437	0.8
149.02370	0.8
153.01826	0.4
159.04378	0.5
161.02357	0.2
163.02559	0.2
163.03917	5.3
165.01845	16.8
167.03372	0.4
169.02884	0.3
171.04401	0.3
175.03909	0.4
176.13731	0.2
177.01790	0.6
177.05392	0.7
178.99643	0.2
179.03340	0.5
180.73032	0.2
181.04962	1.3
183.02905	3.9
187.03923	2.2
189.01775	0.7
190.02628	0.4
190.99629	0.4
191.03406	2.5
195.02925	0.4
195.06493	0.2
197.04416	0.2
203.03352	0.6
205.05014	1.4
207.02875	0.4
209.04391	0.5
213.05373	0.5
215.03445	1.0
217.04945	0.4
221.04378	0.3
229.04980	0.8
231.02760	0.5
232.92624	0.2
233.04439	0.8
239.07062	0.4
242.05731	0.4
243.02910	1.7
249.03807	0.2
253.08533	0.5
255.06590	0.8
257.57269	0.2
259.06116	0.3
261.03943	1.0
263.06995	0.4
266.05588	0.2
267.06543	2.7
269.04388	0.3
269.07703	0.2
270.05206	1.3
271.06024	6.9
272.06323	0.3
277.08649	0.4
279.06546	2.4
280.07050	0.4
281.04944	0.5
281.08096	11.0
282.08365	0.2
283.06018	100.0
284.06528	3.7
289.08499	0.2
291.06461	0.6
293.08044	0.8
294.05286	1.0
295.06012	9.5
295.09637	2.8
296.10086	0.2
297.03873	0.8
297.07553	3.1
305.08133	3.0
307.06058	2.8
308.06799	2.4
309.04126	1.7
309.07559	31.1
310.07809	1.1
311.05600	1.1
311.09036	0.3
313.07092	3.6
317.94232	0.2
320.06662	0.3
321.07599	3.6
323.05722	1.0
323.09128	15.5
324.09515	0.5
325.07092	0.8
333.07562	4.3
335.05441	0.7
337.07071	46.0
338.07401	1.2
349.07080	11.8
350.07379	0.4
351.04846	0.3
351.08676	3.4
355.08136	0.6
361.07086	11.0
362.07312	0.3
367.08142	18.4
368.08557	0.5
379.08139	19.5
380.08496	0.4
397.09204	19.7
398.09686	0.8
415.10287	18.1
416.10571	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3581
Annotation	CHEBI:83244
Peak:m/z	Relative Intensity
55.01881	1.0
55.05518	7.5
56.01391	2.4
57.03425	1.5
57.07086	4.6
58.06608	14.6
58.73671	0.7
59.05001	1.9
67.05515	5.1
69.03436	7.2
69.07074	11.7
70.93621	1.7
71.08653	3.5
72.55698	0.7
79.05499	4.6
81.07063	5.0
83.08635	9.1
84.04512	8.2
85.10201	2.3
86.06075	100.0
87.04482	2.2
87.06400	1.1
91.05476	1.5
93.07056	5.4
95.08616	5.4
97.06539	2.5
97.10181	6.8
102.05610	0.7
104.07117	60.0
107.08611	3.5
107.24583	0.6
107.52577	0.8
109.10167	2.0
111.11731	1.6
112.04001	3.2
112.07615	1.5
119.08590	4.4
121.10157	5.1
123.11749	1.4
128.07108	1.3
130.05013	7.4
135.11726	3.6
135.98897	0.6
137.06027	1.1
147.01921	0.7
149.13261	0.9
157.56972	0.7
164.93301	0.7
256.98563	0.7
275.27274	1.5
293.28473	4.3
322.31119	4.0
336.32706	1.5
339.67627	0.8
350.34207	0.7
378.33707	39.3
379.34167	1.3
396.34769	56.8
397.35022	1.7
408.35416	0.7
414.31689	0.9
414.36050	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	414.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	15.3
57.07085	11.9
67.05516	13.3
69.07074	22.8
70.86630	6.0
71.08633	7.3
76.04010	100.0
79.05502	9.5
81.07060	11.3
82.76414	1.8
83.08620	13.0
83.31620	2.0
85.10187	2.3
89.23177	1.8
93.07053	10.8
95.08589	11.4
97.06544	3.4
97.10185	9.8
107.08607	5.7
107.33477	2.1
109.10172	5.8
111.08054	2.7
111.11722	3.2
112.11215	1.8
113.05527	2.0
115.30226	1.9
119.08594	6.6
121.10152	10.6
131.97397	1.9
135.11678	8.4
149.13284	3.1
164.00845	1.8
288.01981	2.1
303.30463	6.7
321.31488	4.9
344.97723	5.7
396.34927	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	414.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	41.2
57.07079	6.1
59.04996	5.7
60.69313	3.2
61.02918	9.0
69.03076	6.5
69.03434	86.6
69.46758	21.4
70.06580	4.3
73.02928	55.7
74.21886	3.3
79.93018	2.9
81.03436	5.1
84.04517	5.1
85.02909	95.6
86.09707	7.9
87.03989	5.0
87.04477	52.6
87.96857	3.5
89.54726	3.7
91.03957	3.2
93.05791	7.3
97.02905	87.1
98.21472	5.3
98.97591	4.4
99.04457	7.0
104.10743	4.9
109.02907	4.4
115.03160	6.9
115.03940	100.0
123.04411	4.0
126.03753	60.9
126.05527	4.6
127.03122	3.8
127.03934	23.5
127.04779	4.3
133.04970	86.5
144.06595	9.6
145.04982	44.7
150.07669	9.3
160.83084	2.9
162.07645	3.8
163.06007	16.5
177.05408	4.5
180.08681	8.0
184.07338	6.4
191.04996	5.3
214.44879	3.5
259.08115	4.9
265.12970	3.6
274.00668	2.9
306.03864	3.3
336.89749	3.4
414.13251	12.3
414.17896	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	414.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65504	2.2
53.03939	3.4
55.01864	2.0
55.05494	1.9
56.06463	1.8
57.03442	29.7
59.04977	2.5
61.02930	13.3
67.05496	2.3
69.03085	3.3
69.03436	51.0
70.06595	2.3
70.59828	4.6
70.60187	3.3
71.01361	2.3
73.02924	39.8
81.03415	6.3
81.07052	2.8
85.02912	100.0
87.04479	22.1
91.03950	4.3
93.07036	2.5
97.02284	4.0
97.02895	57.5
98.97578	5.3
99.04461	4.0
107.08569	2.4
109.02886	9.9
114.57814	2.2
115.03941	50.7
121.10101	2.4
127.03928	34.7
133.04991	35.2
137.05978	2.4
145.04974	56.5
148.07559	3.1
149.05959	4.9
150.07608	3.8
163.06033	21.2
241.07121	5.2
259.08151	4.3
261.60556	1.9
296.45972	2.1
326.93698	1.9
371.16830	3.5
381.14465	2.0
394.58102	1.9
396.07864	2.4
414.22040	10.0
415.15674	5.8
415.20285	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	413.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56902	1.3
53.03933	2.3
55.01873	1.9
55.05516	64.4
57.03197	1.7
57.03442	26.4
57.07080	58.4
59.05001	1.7
63.49536	1.3
67.05511	24.7
69.03424	5.2
69.07074	73.2
71.04995	2.4
71.08635	36.6
73.06559	2.9
75.04461	1.6
79.05493	13.3
79.54597	1.2
79.81322	1.3
81.03396	4.1
81.07061	35.9
83.04982	3.8
83.08624	50.1
85.02876	1.8
85.06524	2.3
85.10181	19.6
87.04466	1.7
91.05463	3.3
93.07050	16.5
95.08611	33.9
97.02882	1.8
97.06528	9.5
97.10177	35.0
98.98624	1.3
99.11757	1.7
103.64071	1.3
105.07017	1.4
107.08601	11.9
108.85473	1.4
109.10160	15.4
111.08118	8.3
111.11722	12.4
113.13327	1.4
115.07555	3.4
121.10149	16.0
121.50619	1.5
123.11760	6.6
125.09657	7.3
125.13251	2.7
129.09114	2.2
135.11687	13.4
137.05965	2.8
137.13280	1.7
139.11186	6.4
143.10686	2.7
149.13246	11.4
153.12773	5.0
163.14838	6.1
167.14311	3.5
177.16435	3.9
181.15886	4.6
185.15437	1.6
191.17979	2.6
195.13759	1.8
195.17448	2.1
205.19514	2.5
209.19049	2.9
223.20532	1.4
237.22163	2.3
303.30469	5.4
309.86053	1.3
321.31525	16.0
395.35294	15.4
413.21701	5.7
413.36310	100.0
414.36642	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
67.85217	1.1
69.58939	1.1
70.06601	3.2
70.99008	2.2
85.02910	2.5
87.26463	1.2
98.97587	2.5
105.07025	2.2
143.05641	1.9
203.05228	1.8
269.12476	2.6
297.57327	1.1
300.58212	1.2
311.13367	1.6
314.39505	1.1
324.55215	1.3
413.17511	57.5
413.21515	100.0
414.17529	2.0
414.22333	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
69.03431	1.0
69.07055	0.4
69.36324	2.8
69.36734	0.9
70.06589	0.4
71.05008	0.5
79.05470	0.5
83.04973	0.4
85.02930	1.0
91.05527	0.6
93.07027	0.5
98.97578	1.0
105.07008	0.7
107.08607	0.5
145.02817	0.7
145.10143	0.7
158.99699	0.6
170.77975	0.4
173.09727	0.7
177.00734	0.5
177.05579	1.0
299.05545	0.5
369.15491	0.8
389.36124	0.5
412.72397	2.5
413.21515	100.0
414.21912	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2151
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
69.22620	0.7
69.23127	6.9
69.23445	0.9
81.03416	0.9
81.07080	1.1
99.08102	1.0
109.10120	0.8
121.10159	0.9
133.10164	1.0
166.00565	0.8
179.05266	0.8
203.05287	57.2
233.15126	13.9
234.53688	0.8
237.14339	0.9
375.36441	0.7
413.21515	100.0
414.21982	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	413.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
60.19320	0.4
68.99802	0.8
69.59565	1.3
69.59981	2.5
70.06613	0.7
81.03407	0.6
81.07078	0.9
85.02908	1.3
86.09743	0.6
87.11907	0.5
91.05487	1.2
108.60892	0.5
109.02847	0.9
113.93517	0.5
120.08087	0.5
121.02901	0.8
123.07974	0.6
131.04829	0.5
135.04454	1.7
137.02336	3.4
141.01869	0.8
142.56903	0.6
147.04414	0.8
149.02353	0.5
159.04350	0.5
161.02374	0.9
163.03908	0.6
165.01828	7.6
177.05557	0.9
183.02986	1.6
187.03989	0.7
190.02562	0.6
203.03490	0.7
203.05380	1.3
205.04977	1.2
233.15265	0.7
243.02960	0.8
283.06042	1.5
287.05710	1.9
293.15952	0.7
295.06076	0.8
297.07587	1.2
299.05502	31.5
300.05975	0.8
311.05594	2.9
311.09290	1.9
313.07086	1.4
321.07611	1.6
323.05743	1.4
324.06320	1.4
325.03680	1.0
325.07175	2.3
329.06754	0.9
337.07199	2.2
339.08633	9.8
349.07239	1.5
353.06741	1.0
365.06616	6.4
367.08215	2.5
377.06549	2.5
383.07800	2.4
395.07571	7.4
413.09277	10.7
413.21625	100.0
414.21817	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1419
Annotation	t(6)a
Peak:m/z	Relative Intensity
57.03438	0.6
64.40404	0.4
70.69225	1.1
74.06093	2.4
87.24120	0.5
87.32637	0.6
102.05579	1.0
107.04920	0.5
119.03577	3.1
120.06593	8.4
133.09979	0.5
136.06203	100.0
137.04622	1.6
142.22527	0.5
147.04410	0.8
148.04820	0.9
159.17432	0.5
161.97197	0.7
162.04131	61.3
163.04460	0.5
177.28662	0.5
268.10617	1.2
281.09964	53.8
282.10251	0.6
296.27319	0.5
413.14407	0.9
432.66544	0.5
439.50482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96596	0.7
60.09047	0.5
64.14803	0.5
64.76952	0.5
67.05523	0.6
67.98391	0.5
68.86774	0.5
68.95092	0.5
70.67072	1.1
70.67422	0.9
79.29259	0.6
81.03441	0.5
81.07077	0.7
85.02943	0.9
91.05494	0.7
96.27212	0.5
98.97611	1.3
126.93820	0.5
151.03934	1.3
158.99724	0.7
185.04202	6.9
185.05565	0.7
197.10318	0.7
201.07791	0.8
213.09970	0.8
221.10239	0.7
225.13451	1.0
239.11369	0.8
243.14384	1.0
251.12585	100.0
252.12941	2.2
269.12292	6.5
281.15182	0.9
287.13412	3.4
309.01089	0.7
326.59512	0.5
335.88782	0.7
383.07471	2.6
413.12256	6.9
413.17645	58.3
414.17947	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1787
Annotation	Yadanziolide S
Peak:m/z	Relative Intensity
56.88708	0.7
57.03435	1.0
69.03416	1.5
69.57960	0.7
70.06597	3.1
71.16495	1.5
73.02937	1.7
74.03253	0.9
81.07067	0.8
85.02917	3.4
86.03226	1.1
86.09710	1.4
91.05502	1.4
93.07037	0.8
97.02913	1.2
98.97604	1.5
100.28822	0.8
115.03905	1.2
116.07098	2.0
117.57521	0.7
120.36243	0.9
143.63609	0.7
145.04970	0.8
149.09607	1.0
155.69710	1.0
163.06003	1.2
177.05504	1.3
181.06107	0.7
194.27412	0.7
203.05351	1.0
209.10255	0.8
233.10109	1.1
233.15367	1.1
251.08936	0.9
251.11391	1.1
269.12335	1.9
293.12497	1.8
311.13437	2.9
377.50998	0.8
403.49246	0.9
413.17752	100.0
413.21609	25.2
414.17966	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	413.2148
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
69.51104	2.1
69.51520	0.9
80.49969	0.4
114.62906	0.4
125.51053	0.4
147.27724	0.4
167.28793	0.4
203.05212	0.6
251.16095	0.5
299.05679	2.0
339.08719	1.2
391.64447	0.5
395.07523	0.7
413.09970	2.7
413.21530	100.0
414.22095	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.1
56.96566	4.3
57.03434	1.8
58.41950	0.6
61.02921	2.7
65.03949	0.8
67.05503	4.1
69.03417	2.5
69.07053	2.0
70.06595	1.3
70.83037	1.7
71.04977	0.9
73.02910	1.6
79.05493	3.8
81.03423	4.7
81.07073	4.0
83.04990	1.4
83.08619	1.7
83.97717	0.6
85.02896	2.2
87.04465	0.7
91.03966	1.4
91.05499	3.6
93.07018	3.2
95.04971	1.9
95.08602	1.4
97.02892	2.9
98.97552	1.5
99.04498	1.0
101.02357	1.3
105.07033	2.7
107.04983	0.8
107.08596	1.6
109.02901	1.1
109.10168	1.2
110.97566	0.9
111.04468	0.7
115.08691	1.6
116.98551	0.6
117.06983	1.0
119.04961	0.6
119.08587	1.3
121.10110	0.9
123.01237	0.6
125.09674	0.7
127.03920	1.7
128.98630	0.8
129.07018	0.8
133.10152	0.8
137.02351	0.8
137.05997	0.8
141.02299	0.7
145.06546	0.6
147.11742	1.4
149.09589	0.7
149.13263	1.0
151.03929	12.4
151.05078	0.9
157.10153	0.9
158.99585	0.6
159.03250	0.7
167.03575	0.8
168.34654	0.6
171.03296	1.3
171.11749	0.7
173.06007	0.9
177.01872	0.8
185.04868	0.8
189.04385	1.0
190.06227	0.7
193.12251	1.6
207.02837	1.0
219.02896	2.0
229.07491	0.7
233.08145	0.8
237.04131	0.6
249.07950	1.0
255.09056	1.0
266.06229	0.8
267.06549	1.1
267.08987	4.2
267.15948	2.1
269.10690	0.7
281.10724	1.4
283.08810	0.9
283.11899	1.4
285.10147	2.7
288.47827	0.6
291.19376	1.0
299.11694	2.6
317.12686	0.9
323.05502	0.7
327.08606	0.9
337.07162	1.1
339.14438	0.7
340.05948	1.8
347.15314	5.7
353.10446	1.1
354.03815	0.9
355.08209	1.5
356.05319	0.7
359.07623	1.8
365.06604	1.2
365.16345	4.2
368.05289	16.6
369.05881	1.8
370.06717	0.7
371.07733	1.8
380.08777	1.3
381.09869	0.7
381.19742	1.0
382.20010	1.0
383.07629	39.5
384.07968	1.6
388.18338	1.9
398.09955	3.0
413.12332	100.0
414.12708	3.3
429.21323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1232
Annotation	(2E)-5,7-Dihydroxy-3,6-dimethoxy-4-oxo-2-phenyl-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
55.05508	2.1
56.96566	4.3
57.03434	1.8
58.41950	0.6
61.02921	2.7
65.03949	0.8
67.05503	4.1
69.03417	2.5
69.07053	2.0
70.06595	1.3
70.83037	1.7
71.04977	0.9
73.02910	1.6
79.05493	3.8
81.03423	4.7
81.07073	4.0
83.04990	1.4
83.08619	1.7
83.97717	0.6
85.02896	2.2
87.04465	0.7
91.03966	1.4
91.05499	3.6
93.07018	3.2
95.04971	1.9
95.08602	1.4
97.02892	2.9
98.97552	1.5
99.04498	1.0
101.02357	1.3
105.07033	2.7
107.04983	0.8
107.08596	1.6
109.02901	1.1
109.10168	1.2
110.97566	0.9
111.04468	0.7
115.08691	1.6
116.98551	0.6
117.06983	1.0
119.04961	0.6
119.08587	1.3
121.10110	0.9
123.01237	0.6
125.09674	0.7
127.03920	1.7
128.98630	0.8
129.07018	0.8
133.10152	0.8
137.02351	0.8
137.05997	0.8
141.02299	0.7
145.06546	0.6
147.11742	1.4
149.09589	0.7
149.13263	1.0
151.03929	12.4
151.05078	0.9
157.10153	0.9
158.99585	0.6
159.03250	0.7
167.03575	0.8
168.34654	0.6
171.03296	1.3
171.11749	0.7
173.06007	0.9
177.01872	0.8
185.04868	0.8
189.04385	1.0
190.06227	0.7
193.12251	1.6
207.02837	1.0
219.02896	2.0
229.07491	0.7
233.08145	0.8
237.04131	0.6
249.07950	1.0
255.09056	1.0
266.06229	0.8
267.06549	1.1
267.08987	4.2
267.15948	2.1
269.10690	0.7
281.10724	1.4
283.08810	0.9
283.11899	1.4
285.10147	2.7
288.47827	0.6
291.19376	1.0
299.11694	2.6
317.12686	0.9
323.05502	0.7
327.08606	0.9
337.07162	1.1
339.14438	0.7
340.05948	1.8
347.15314	5.7
353.10446	1.1
354.03815	0.9
355.08209	1.5
356.05319	0.7
359.07623	1.8
365.06604	1.2
365.16345	4.2
368.05289	16.6
369.05881	1.8
370.06717	0.7
371.07733	1.8
380.08777	1.3
381.09869	0.7
381.19742	1.0
382.20010	1.0
383.07629	39.5
384.07968	1.6
388.18338	1.9
398.09955	3.0
413.12332	100.0
414.12708	3.3
429.21323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
55.05507	2.4
57.07081	14.7
67.05505	4.7
69.07060	2.7
70.06587	2.9
70.67522	1.7
71.06915	0.8
71.08640	8.7
72.04160	1.1
72.04527	18.1
72.04891	0.7
73.08108	0.9
81.07063	6.2
83.08594	3.0
85.10201	4.9
90.05564	100.0
95.08620	7.1
96.90802	0.9
97.10152	2.4
109.10182	4.1
109.98808	0.9
111.11746	2.0
112.97608	0.8
116.07094	1.1
123.11732	1.4
175.76938	0.8
178.23206	0.8
305.32050	1.1
323.33051	2.7
352.35748	2.3
375.96143	0.9
394.36844	21.5
412.37689	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1215
Annotation	Ziprasidone
Peak:m/z	Relative Intensity
50.47865	4.0
52.75558	5.7
54.56277	3.6
56.96575	9.7
69.03426	7.9
69.07060	12.7
70.06586	16.1
71.16174	10.2
73.02921	9.3
79.05494	5.3
79.81128	4.2
81.03388	5.0
81.07072	8.8
84.04498	5.8
84.08127	9.6
85.02891	10.6
91.05505	6.7
93.07032	7.9
97.02882	7.9
98.97584	31.4
100.48856	4.5
107.08573	5.9
110.97564	14.6
115.03988	5.2
116.98631	14.2
119.08592	9.6
120.08143	6.1
125.90467	4.4
128.98611	9.5
134.99785	4.8
140.07004	6.3
145.02831	5.4
146.99628	9.8
167.07018	4.5
177.00703	4.6
177.05423	7.9
219.01753	16.0
233.15311	5.2
237.02870	28.5
237.04892	4.5
251.09041	5.4
270.98645	4.9
299.05396	5.3
379.14352	7.3
413.12064	100.0
413.21939	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	412.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13909	2.5
55.01879	4.4
55.05507	4.2
57.03440	33.0
59.05003	5.2
61.02923	6.3
67.05497	3.8
68.23978	2.4
69.03080	5.2
69.03434	74.6
70.16615	5.0
70.17021	8.9
71.01349	3.2
71.05002	6.7
73.02921	21.0
81.03417	5.7
81.07081	4.1
83.08608	3.5
85.02907	100.0
87.04476	58.1
88.08630	2.5
91.03961	5.8
93.07051	2.5
97.02893	74.1
98.20859	3.7
98.97595	3.9
99.04453	3.4
105.32475	2.8
109.02899	5.8
115.03931	90.8
119.08616	3.0
127.03918	17.0
133.04965	86.5
135.08035	4.2
139.07556	4.5
141.09106	2.6
145.04953	33.0
148.25458	3.2
150.07632	11.1
163.06044	12.7
167.10684	4.2
185.03799	6.4
209.11768	2.9
231.04419	21.7
238.05339	10.5
259.08237	5.2
263.14905	4.0
266.08383	4.4
295.10327	3.8
299.05414	3.1
394.14127	4.1
412.15323	3.3
412.20215	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	412.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91869	1.2
55.71622	1.1
56.96565	1.6
60.49460	1.0
65.03941	4.6
69.07064	1.7
69.76664	6.5
79.05489	1.5
81.07047	1.4
93.03426	3.7
93.07065	1.5
95.08672	1.3
107.04939	2.0
108.08964	1.3
121.02857	2.7
121.06500	1.3
122.03167	1.3
131.01309	4.3
132.01614	1.8
147.04424	5.4
148.04756	6.6
149.02356	100.0
149.04906	2.9
149.92590	1.2
150.02690	55.9
150.05251	1.7
151.02861	15.9
152.03102	6.3
163.03957	1.8
163.20923	1.3
164.04219	2.3
167.03419	74.2
168.03757	44.7
169.03922	15.0
170.04201	4.9
218.08879	1.4
232.77223	1.3
269.08109	24.5
270.05588	2.5
270.08469	47.3
271.08676	12.7
272.08954	16.8
273.14572	2.1
274.15192	2.7
284.10007	2.1
311.11920	2.3
312.12170	3.6
317.99332	1.2
338.14566	2.7
394.20898	32.7
412.21027	1.6
413.12152	1.4
432.23947	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	0.7
55.05436	6.5
55.05723	1.2
57.03357	2.4
57.06992	2.3
65.03857	0.6
67.05418	11.6
67.05818	1.5
69.06979	9.7
69.18008	6.4
71.04935	1.3
71.08541	7.1
71.08965	0.9
79.05403	7.8
79.11720	0.6
81.06966	19.1
81.07476	1.6
83.04906	1.1
83.08530	3.5
85.06462	2.0
91.05376	4.4
93.07049	14.1
93.67137	0.6
95.04869	3.5
95.08614	16.9
95.09167	1.2
97.06427	4.9
97.10069	2.2
97.84985	0.6
98.20814	1.6
99.08099	3.2
105.07034	6.1
107.08611	10.1
109.06530	21.1
109.10179	7.5
111.08027	1.0
119.08602	5.0
120.74613	0.6
121.10165	6.2
123.07975	2.5
123.11735	2.9
125.09534	0.8
131.08551	1.5
133.10168	3.3
135.11726	4.0
137.05847	0.7
137.09520	1.0
137.13208	0.7
145.10005	2.5
147.11696	3.2
149.13168	2.6
151.11116	1.0
153.12689	1.3
159.11618	0.7
161.13162	2.5
163.14749	1.4
165.12772	21.1
166.13051	0.8
167.14297	0.8
173.13138	0.6
175.14755	1.2
177.16371	0.9
179.06937	0.8
179.14328	1.0
189.16364	0.9
193.56960	0.6
201.16335	0.7
221.18965	3.0
235.20468	0.6
263.20132	4.4
265.66632	0.6
319.26334	100.0
320.26733	2.9
337.27396	15.4
338.27759	0.8
349.27213	1.3
375.29095	1.0
393.29974	5.3
393.34515	0.8
411.14084	0.7
411.31161	21.4
411.36157	1.4
429.42480	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87457	1.8
55.01889	3.2
55.05516	2.5
57.03442	22.2
61.02929	10.2
63.63506	1.8
63.74488	2.4
69.03432	26.4
69.44857	1.9
70.06578	3.3
70.70707	4.6
71.01371	2.5
72.08168	4.9
73.02919	45.1
73.31695	1.9
81.03421	4.4
81.14539	2.1
83.08632	4.8
84.04486	2.0
85.02911	100.0
86.09736	2.1
86.30833	2.0
87.04494	3.2
91.03954	5.4
95.06116	2.4
95.66219	2.0
97.02904	38.6
98.97598	4.2
99.04467	2.3
106.01913	1.9
109.02851	9.6
115.03940	30.6
120.08086	4.9
127.03923	27.8
133.04990	9.1
145.04965	45.3
163.06023	30.7
189.39450	2.2
206.11374	2.0
215.09398	2.4
216.27003	1.9
241.07040	5.5
254.14502	2.6
259.08252	4.8
263.14935	7.7
295.10349	2.6
394.08960	2.6
412.10855	3.7
412.15338	3.7
412.20316	62.0
413.17227	21.5
413.21603	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	411.1993
Annotation	diflorasone
Peak:m/z	Relative Intensity
56.23650	0.4
69.03429	0.6
69.07062	0.4
69.23170	3.4
69.23557	0.8
70.06590	0.4
70.92461	0.4
81.07047	0.5
85.02903	0.8
86.73882	0.3
91.05480	1.4
97.02905	0.4
98.97620	0.4
109.10178	0.5
120.26241	0.4
125.37468	0.4
145.10135	0.4
147.04488	0.4
161.09584	0.4
187.18971	0.4
203.05287	0.6
210.14844	0.5
249.14726	0.7
325.03699	1.0
337.07266	0.7
393.09174	0.5
399.94382	0.4
411.19910	100.0
412.20251	3.6
432.95432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2172
Annotation	Xanthoangelol J
Peak:m/z	Relative Intensity
50.75631	1.9
54.50259	2.0
58.78147	2.0
65.03941	14.3
67.05505	4.9
69.07056	6.0
81.07049	5.9
89.67386	2.1
91.05489	3.1
93.03407	9.7
93.07074	2.4
95.04951	2.1
107.04945	5.6
114.77786	2.4
119.54112	2.1
131.01291	2.4
137.02379	2.8
137.05984	4.0
138.46860	2.2
147.04369	3.5
149.02350	37.2
150.02663	10.9
151.02805	7.1
161.02325	8.6
165.05524	7.6
167.03412	34.8
168.03743	6.8
169.03964	5.3
179.03409	100.0
206.53687	2.2
217.08575	28.0
235.09686	23.0
241.08641	2.5
269.08121	19.6
270.08463	8.6
271.08688	11.5
273.14749	2.3
281.08087	15.6
296.09259	2.1
297.61707	2.3
302.19879	2.4
311.11719	2.2
337.14346	35.9
380.20935	2.1
393.20334	17.7
411.14487	3.0
411.21118	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	411.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.6
56.96567	0.4
71.55557	0.7
85.02892	0.5
88.93040	0.4
93.07066	0.7
98.97606	1.0
100.31406	0.5
105.07020	0.7
107.08598	1.1
116.96127	0.4
133.10152	1.1
137.05977	0.6
142.05029	1.3
170.08211	0.9
175.07321	2.6
196.17001	0.7
198.02229	0.4
198.07570	0.6
203.03386	0.9
203.05284	12.1
206.11565	0.9
216.08774	1.5
231.13577	6.6
249.11226	0.6
257.03986	0.7
299.05060	0.8
357.83014	0.5
393.09732	1.2
411.19934	100.0
412.20526	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	411.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34599	0.4
56.96564	0.6
57.03436	0.5
57.36853	0.4
58.06918	0.4
61.06267	0.5
61.71336	0.4
64.70993	0.5
64.80681	0.4
69.03435	0.6
71.34866	0.7
81.07022	0.5
85.02902	0.5
86.09698	0.7
91.05496	0.6
95.08621	0.8
98.97598	1.3
99.08094	0.6
107.08599	0.7
109.10191	0.8
121.02885	0.5
135.04420	0.4
136.07642	0.5
158.99666	0.7
163.03935	1.1
163.29530	0.5
190.45151	0.4
191.08203	1.2
234.98965	0.7
295.06165	1.1
322.04745	0.7
329.68109	0.6
393.08994	0.5
411.19928	100.0
412.20221	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93970	0.4
70.69686	1.4
80.28426	0.5
80.41739	0.4
107.27509	0.5
134.95195	0.4
203.05272	1.1
218.34213	0.4
249.07388	0.7
249.09749	0.6
249.11194	0.5
267.10785	2.0
291.10916	0.7
309.11847	0.5
324.09836	0.5
411.16241	100.0
412.16693	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	411.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85487	0.6
62.49963	0.5
69.58520	2.7
69.58929	1.3
143.02020	0.8
169.06149	0.5
185.04245	1.3
197.20093	0.6
203.05284	30.4
231.10005	5.0
249.07423	1.9
249.10728	0.9
267.10757	1.3
268.11462	0.7
291.10904	2.0
309.11932	2.3
411.16452	100.0
412.16541	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	411.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07674	0.5
56.96577	0.4
57.03420	0.5
69.03420	0.7
69.50720	3.5
73.02919	0.7
75.06320	0.4
84.54784	0.5
85.02907	0.6
86.09703	0.6
90.28181	0.4
97.02868	0.9
106.94316	0.4
115.04000	0.5
119.08569	0.6
131.49925	0.4
133.04961	0.6
152.85640	0.4
154.27306	0.4
203.05264	4.1
231.13585	1.1
249.14986	0.5
299.69012	0.5
308.88815	0.5
349.16202	1.7
367.17291	0.7
379.92969	0.5
393.09595	0.7
393.18814	1.4
411.19901	100.0
412.20193	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	411.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56271	0.6
69.56367	4.3
74.86787	0.6
80.11476	0.6
158.06882	0.8
175.51988	0.7
185.04147	2.2
203.05292	8.4
206.94305	0.6
231.09865	1.3
236.15410	0.7
248.06595	5.0
249.07365	8.9
249.09709	1.2
291.10666	0.8
309.11560	1.0
379.09714	1.0
411.12292	100.0
412.12766	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	411.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30116	0.5
59.12667	0.5
64.42312	0.5
69.24920	5.9
86.41090	0.6
90.86018	0.6
185.04294	2.7
189.05161	0.6
203.05270	4.2
248.06627	5.0
249.07387	7.9
285.08063	0.7
309.11746	0.9
353.24692	0.6
379.09839	1.0
389.67538	0.6
411.12433	100.0
412.12735	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	411.0332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37735	6.8
54.59687	6.2
56.23370	6.4
56.75009	8.3
56.96568	34.7
57.55566	7.9
70.06600	8.8
70.75346	16.1
70.75681	15.0
77.11162	7.8
77.20671	7.5
83.46023	6.9
87.60106	7.8
95.41453	7.0
98.97591	100.0
110.97554	15.2
113.00772	7.2
116.98663	19.7
119.04859	11.7
121.01674	10.3
124.99094	7.8
128.98602	10.1
140.26990	6.6
143.00128	11.5
143.01929	7.7
145.02774	11.5
147.03346	11.9
147.04431	60.4
158.99649	37.0
159.03230	14.2
163.03903	14.4
166.50772	8.5
168.12407	7.3
171.04906	8.3
177.00650	14.4
177.05496	17.1
201.04184	10.7
237.00667	22.6
237.06317	12.3
247.04604	15.7
255.01845	20.1
255.07675	11.3
265.05588	28.5
267.00290	26.2
273.02905	12.8
277.07587	9.5
279.07599	41.0
291.00351	10.4
297.02838	13.3
297.08633	23.1
305.09158	21.6
309.01239	22.0
411.03784	15.8
411.08737	27.4
411.13538	16.4
429.14185	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	410.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
54.25564	2.6
55.01871	6.4
55.05512	14.3
56.96558	8.4
57.03439	8.2
57.07072	7.3
61.02926	5.7
64.61298	2.5
67.05511	17.9
67.69379	2.8
69.03441	14.3
69.07088	20.5
70.07410	2.4
71.04993	8.6
71.08642	6.0
71.55670	3.8
73.02925	5.7
75.11255	2.3
79.05491	10.3
81.03410	9.1
81.07061	32.2
82.07344	3.0
83.04977	10.0
83.08638	13.2
84.04523	3.3
85.02914	42.6
85.06557	12.2
87.04459	2.5
91.03910	2.9
91.05475	7.1
93.07060	23.7
95.05035	2.9
95.08617	17.1
97.02880	13.3
97.06551	19.0
97.10170	9.4
98.97572	5.4
99.04484	16.1
101.02378	10.0
105.07030	12.8
107.08607	16.1
108.08915	2.7
109.06560	5.4
109.10159	8.2
111.04444	3.1
111.08089	10.0
119.08588	10.2
121.10139	12.5
123.08071	3.6
123.11726	15.9
124.12129	3.8
125.05970	13.9
127.03957	7.5
127.07558	4.9
133.10152	3.3
135.08064	3.2
135.11673	15.5
141.09152	4.2
145.04959	4.7
145.10097	3.9
147.11687	29.2
148.12004	6.6
149.13263	9.8
151.11214	2.9
155.10703	7.0
155.14288	2.8
158.99687	3.4
165.12787	19.6
167.14395	30.4
177.12756	7.4
183.13799	28.3
184.14127	3.1
185.15457	5.0
195.13823	84.8
201.14806	12.3
213.14902	100.0
227.23349	2.7
229.14455	16.6
230.14737	9.7
231.16037	26.0
241.11302	14.5
259.12131	11.5
267.08939	6.5
285.10104	12.5
287.78882	2.6
303.11157	5.4
400.98752	2.6
429.14334	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	410.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
54.25564	2.6
55.01871	6.4
55.05512	14.3
56.96558	8.4
57.03439	8.2
57.07072	7.3
61.02926	5.7
64.61298	2.5
67.05511	17.9
67.69379	2.8
69.03441	14.3
69.07088	20.5
70.07410	2.4
71.04993	8.6
71.08642	6.0
71.55670	3.8
73.02925	5.7
75.11255	2.3
79.05491	10.3
81.03410	9.1
81.07061	32.2
82.07344	3.0
83.04977	10.0
83.08638	13.2
84.04523	3.3
85.02914	42.6
85.06557	12.2
87.04459	2.5
91.03910	2.9
91.05475	7.1
93.07060	23.7
95.05035	2.9
95.08617	17.1
97.02880	13.3
97.06551	19.0
97.10170	9.4
98.97572	5.4
99.04484	16.1
101.02378	10.0
105.07030	12.8
107.08607	16.1
108.08915	2.7
109.06560	5.4
109.10159	8.2
111.04444	3.1
111.08089	10.0
119.08588	10.2
121.10139	12.5
123.08071	3.6
123.11726	15.9
124.12129	3.8
125.05970	13.9
127.03957	7.5
127.07558	4.9
133.10152	3.3
135.08064	3.2
135.11673	15.5
141.09152	4.2
145.04959	4.7
145.10097	3.9
147.11687	29.2
148.12004	6.6
149.13263	9.8
151.11214	2.9
155.10703	7.0
155.14288	2.8
158.99687	3.4
165.12787	19.6
167.14395	30.4
177.12756	7.4
183.13799	28.3
184.14127	3.1
185.15457	5.0
195.13823	84.8
201.14806	12.3
213.14902	100.0
227.23349	2.7
229.14455	16.6
230.14737	9.7
231.16037	26.0
241.11302	14.5
259.12131	11.5
267.08939	6.5
285.10104	12.5
287.78882	2.6
303.11157	5.4
400.98752	2.6
429.14334	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	409.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.9
55.05525	22.0
57.07077	3.3
58.51274	3.0
65.03938	3.3
67.05508	32.7
68.32115	3.3
69.07077	32.5
71.05009	17.5
71.08632	5.5
71.34854	5.7
79.05508	23.6
81.07066	100.0
81.07528	6.1
83.08624	13.1
85.06523	3.5
91.05488	29.4
93.07055	97.0
95.05016	4.1
95.08617	98.0
97.10172	9.6
105.07045	70.6
107.08608	73.6
109.06524	12.2
109.10170	65.8
111.08092	13.1
111.11641	3.4
113.09666	5.0
115.19624	3.0
117.07046	10.2
119.08601	82.9
119.09444	4.2
121.10157	63.6
122.10406	3.6
123.11733	28.8
130.07852	3.7
131.08597	17.9
133.10143	39.1
135.11714	36.0
137.09610	8.8
137.13266	7.2
142.14969	3.1
143.08580	7.4
145.10161	31.1
147.11713	27.9
149.02382	8.8
149.09682	4.4
149.13275	60.3
151.11208	3.6
153.01848	13.2
157.10158	13.4
158.10927	4.0
159.11691	40.2
161.13261	42.0
163.14845	27.3
165.01854	11.5
167.03485	12.1
169.10085	5.3
171.11717	12.3
173.13281	22.5
175.14819	28.5
177.12721	7.1
177.16418	7.7
179.03445	6.5
183.02899	3.3
183.11620	3.4
185.13254	7.2
187.14795	16.9
189.16394	22.9
191.17982	12.9
192.69429	3.1
195.12305	4.4
199.14848	7.6
201.16394	12.4
203.17955	14.3
211.14932	5.1
213.16393	8.2
215.18001	11.9
217.19539	38.8
225.16505	3.8
227.17918	14.4
229.19537	11.4
231.21152	12.6
233.07948	3.9
241.19479	8.4
255.21205	6.2
257.22726	12.0
259.24216	11.8
269.08096	6.3
279.06610	4.6
281.22803	3.9
283.24258	5.1
285.07556	3.5
295.24121	4.2
307.12814	3.0
325.28891	3.5
335.12677	13.8
351.30539	14.9
353.13770	11.4
381.13458	5.6
391.33551	22.4
397.52271	3.2
409.12601	4.4
409.20084	6.0
409.29660	4.0
409.34714	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.0
55.05311	1.6
55.05517	21.3
57.07068	5.7
59.05009	2.5
65.03949	4.4
67.05502	15.6
69.03416	7.2
69.07076	27.5
69.50105	14.1
79.05501	22.1
81.07059	26.4
81.97169	1.7
83.04982	6.1
85.06554	3.1
91.05488	34.9
93.07050	38.1
95.04977	54.1
95.08617	23.8
97.06518	3.9
101.00246	1.8
103.05453	5.6
105.04547	2.2
105.07037	100.0
107.04950	2.4
107.08607	19.8
109.06545	9.0
109.10166	6.7
115.05461	4.0
117.07024	16.3
119.04932	4.5
119.08591	63.7
119.50301	1.8
121.06515	15.3
121.10159	12.6
123.08057	13.8
125.05910	2.1
128.06267	5.3
129.06996	11.5
130.07788	3.2
131.04959	2.2
131.08586	21.0
133.06490	7.3
133.10139	14.7
135.08080	10.8
135.11720	5.3
137.02425	2.5
137.06064	1.8
137.09642	8.7
141.07005	4.2
142.07782	13.1
143.08566	11.8
144.09315	2.0
145.06456	3.9
145.10136	30.3
147.04419	2.6
147.08075	12.4
147.11699	42.9
149.02354	15.2
149.09653	11.2
151.07573	15.7
153.00700	3.3
153.01842	33.4
155.08591	5.5
156.09360	3.9
157.06493	3.1
157.10127	19.5
159.08051	8.8
159.11693	9.7
161.05991	4.9
161.09637	8.4
161.13283	4.5
163.11168	3.7
165.01834	24.3
165.09134	30.4
167.03378	11.4
167.08681	2.6
168.09352	4.4
169.10129	7.1
170.10843	2.0
171.08130	1.8
171.11736	5.5
172.95280	2.9
173.05989	2.5
173.09598	5.5
173.13277	6.3
175.11201	30.4
177.09137	4.5
178.09894	2.2
179.03430	7.7
179.08604	1.8
181.10158	3.7
183.02945	9.3
183.08185	2.1
183.11670	9.9
185.06004	4.2
185.13251	5.3
187.11150	4.1
189.12770	5.9
193.04944	4.0
193.10228	2.3
194.10994	2.0
197.13312	2.9
199.11185	2.6
201.05499	7.7
201.12772	16.0
201.16457	2.2
203.14282	12.0
207.13795	5.1
209.13437	1.8
209.15320	3.3
211.14813	5.8
215.07008	3.1
215.10716	2.5
215.14371	3.0
217.08571	2.7
219.06496	2.3
219.13788	3.7
221.13402	2.7
221.15375	50.6
223.07669	2.1
225.16444	2.2
227.06975	3.0
227.10564	2.4
229.15909	4.1
231.13850	3.7
233.08064	2.8
233.15356	4.0
234.16203	19.4
251.07083	3.3
255.06450	5.5
267.06561	11.1
269.08093	6.3
279.06644	8.7
285.07599	8.8
287.20139	6.1
297.07611	6.5
300.20752	6.7
329.21146	4.5
335.12833	29.0
341.13748	3.5
353.13843	23.3
385.21347	1.8
391.26318	4.1
409.19727	8.9
409.27469	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	409.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03902	1.5
53.02644	1.7
53.03936	7.8
55.01873	10.6
55.05310	1.6
55.05519	16.4
57.03429	4.4
57.07075	13.4
65.03945	10.3
66.04285	3.7
67.05500	5.1
69.06725	2.9
69.07072	38.0
71.08643	12.9
79.05482	2.2
81.03419	12.0
81.07054	8.9
83.08633	21.9
85.10193	6.9
93.03418	6.3
93.07080	3.0
94.03701	2.0
95.08591	7.6
97.10181	15.3
105.07011	3.4
107.05042	2.0
107.08596	3.9
109.02883	32.3
109.10165	4.7
111.11706	6.6
113.42606	1.9
115.03934	8.5
119.08598	2.9
121.06543	4.1
121.10144	3.4
123.04408	3.2
123.08038	3.0
123.11715	4.8
125.13293	4.2
127.03925	100.0
133.10074	1.8
137.13304	2.7
139.14856	2.1
141.05493	4.7
147.04448	2.6
149.02339	11.3
151.07584	2.8
153.01845	15.4
155.07016	1.9
161.02306	1.8
165.01860	13.0
167.03423	12.6
169.08644	8.7
179.03409	37.7
180.03737	32.1
181.03888	15.6
183.02943	5.2
183.10152	21.4
195.10152	5.1
197.11740	7.8
201.05524	2.1
201.12764	3.6
209.11725	3.5
211.13292	6.6
211.97841	2.1
217.08682	5.1
218.09003	9.2
219.09193	6.1
225.14894	4.6
235.09662	4.2
236.09967	8.2
237.10278	6.6
237.14760	2.8
239.16423	5.2
251.16425	3.4
253.18008	8.1
265.18005	5.7
267.06683	2.8
267.19608	3.3
269.08005	4.9
279.06390	2.6
279.19379	3.0
281.21124	4.9
285.07480	2.4
293.21091	3.8
295.22672	4.2
296.09988	3.5
297.10345	4.8
307.23029	2.0
309.24359	4.2
321.24176	3.4
335.12888	10.3
335.25662	2.3
352.16309	3.2
353.13690	6.9
353.16827	7.2
381.13431	3.1
391.32080	28.1
409.12726	2.4
409.22806	4.1
409.33557	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	409.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95504	6.2
55.05512	28.3
57.03448	7.2
57.07075	15.3
62.63185	5.6
63.03399	6.0
67.05503	12.9
68.99776	7.1
69.03411	19.5
69.07074	100.0
69.39011	35.9
69.39430	12.8
79.05499	12.5
81.03423	18.5
81.07043	20.3
83.08619	43.5
85.02907	29.4
87.00834	14.4
91.89988	6.0
93.07039	15.1
95.08581	10.2
97.02861	10.2
99.04424	10.8
105.01846	14.5
107.08603	9.6
109.02895	10.9
119.04948	6.3
119.08543	8.0
119.18739	6.5
125.13277	17.5
127.03925	21.6
133.10100	8.0
135.11732	7.7
143.14330	20.4
151.07545	11.4
231.04991	10.2
286.39124	6.8
287.05527	12.8
295.06012	15.5
325.06744	7.1
409.09149	14.4
409.18292	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.0
55.05311	1.6
55.05517	21.3
57.07068	5.7
59.05009	2.5
65.03949	4.4
67.05502	15.6
69.03416	7.2
69.07076	27.5
69.50105	14.1
79.05501	22.1
81.07059	26.4
81.97169	1.7
83.04982	6.1
85.06554	3.1
91.05488	34.9
93.07050	38.1
95.04977	54.1
95.08617	23.8
97.06518	3.9
101.00246	1.8
103.05453	5.6
105.04547	2.2
105.07037	100.0
107.04950	2.4
107.08607	19.8
109.06545	9.0
109.10166	6.7
115.05461	4.0
117.07024	16.3
119.04932	4.5
119.08591	63.7
119.50301	1.8
121.06515	15.3
121.10159	12.6
123.08057	13.8
125.05910	2.1
128.06267	5.3
129.06996	11.5
130.07788	3.2
131.04959	2.2
131.08586	21.0
133.06490	7.3
133.10139	14.7
135.08080	10.8
135.11720	5.3
137.02425	2.5
137.06064	1.8
137.09642	8.7
141.07005	4.2
142.07782	13.1
143.08566	11.8
144.09315	2.0
145.06456	3.9
145.10136	30.3
147.04419	2.6
147.08075	12.4
147.11699	42.9
149.02354	15.2
149.09653	11.2
151.07573	15.7
153.00700	3.3
153.01842	33.4
155.08591	5.5
156.09360	3.9
157.06493	3.1
157.10127	19.5
159.08051	8.8
159.11693	9.7
161.05991	4.9
161.09637	8.4
161.13283	4.5
163.11168	3.7
165.01834	24.3
165.09134	30.4
167.03378	11.4
167.08681	2.6
168.09352	4.4
169.10129	7.1
170.10843	2.0
171.08130	1.8
171.11736	5.5
172.95280	2.9
173.05989	2.5
173.09598	5.5
173.13277	6.3
175.11201	30.4
177.09137	4.5
178.09894	2.2
179.03430	7.7
179.08604	1.8
181.10158	3.7
183.02945	9.3
183.08185	2.1
183.11670	9.9
185.06004	4.2
185.13251	5.3
187.11150	4.1
189.12770	5.9
193.04944	4.0
193.10228	2.3
194.10994	2.0
197.13312	2.9
199.11185	2.6
201.05499	7.7
201.12772	16.0
201.16457	2.2
203.14282	12.0
207.13795	5.1
209.13437	1.8
209.15320	3.3
211.14813	5.8
215.07008	3.1
215.10716	2.5
215.14371	3.0
217.08571	2.7
219.06496	2.3
219.13788	3.7
221.13402	2.7
221.15375	50.6
223.07669	2.1
225.16444	2.2
227.06975	3.0
227.10564	2.4
229.15909	4.1
231.13850	3.7
233.08064	2.8
233.15356	4.0
234.16203	19.4
251.07083	3.3
255.06450	5.5
267.06561	11.1
269.08093	6.3
279.06644	8.7
285.07599	8.8
287.20139	6.1
297.07611	6.5
300.20752	6.7
329.21146	4.5
335.12833	29.0
341.13748	3.5
353.13843	23.3
385.21347	1.8
391.26318	4.1
409.19727	8.9
409.27469	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	409.2013
Annotation	Xanthokeismin A
Peak:m/z	Relative Intensity
65.03932	4.2
68.66039	0.9
69.07050	3.4
69.45726	6.9
79.05491	1.3
81.07053	1.5
84.08123	1.2
91.05481	9.2
93.03386	3.3
93.07043	2.1
107.04958	2.5
115.05485	1.6
116.06268	1.5
117.06979	1.9
119.04922	5.1
119.08589	3.1
121.02865	3.0
121.06504	1.4
123.64635	1.0
128.06235	3.0
129.06987	1.6
131.01294	4.8
131.08569	6.4
133.06529	1.2
137.02345	3.9
141.06996	2.0
144.05721	1.5
147.04413	30.8
147.08034	2.6
149.02347	100.0
150.02635	1.9
153.01785	1.6
153.12778	1.5
159.04369	1.7
159.08115	4.6
161.06047	1.4
165.01831	2.8
167.03412	60.8
168.03758	1.9
169.06557	1.4
172.05260	0.9
173.05939	2.1
179.03400	3.4
183.03049	1.2
187.07568	11.0
212.01768	0.9
213.08714	1.0
215.07040	8.6
217.08582	1.5
233.08096	45.6
263.37997	1.0
268.77069	1.2
269.08118	44.7
270.08511	1.0
271.13315	13.2
289.14410	7.3
335.12796	24.8
336.12839	1.0
353.13593	2.1
391.18976	12.7
396.72083	0.9
409.20197	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2014
Annotation	(2R,3S)-3,5,7-Trihydroxy-6-geranylflavanone
Peak:m/z	Relative Intensity
53.00318	0.4
64.23277	0.3
64.49781	0.4
65.03944	3.2
69.07073	2.3
81.07068	0.6
93.03428	2.2
98.20702	0.5
106.35928	0.4
121.02878	2.8
131.01282	3.7
134.47098	0.4
137.06001	1.1
139.99751	0.4
149.02353	100.0
150.02698	1.1
153.01843	0.5
157.53987	0.4
163.03896	3.1
165.01823	2.1
167.03416	57.4
168.03764	1.0
183.02898	0.5
189.05450	0.4
191.07088	0.7
217.08589	0.6
229.00752	0.4
267.06534	2.2
269.08017	0.4
273.14938	3.9
285.07599	48.4
286.08038	1.7
290.05740	0.4
292.71960	0.4
299.09201	2.1
300.17441	0.4
323.42621	0.4
335.12689	0.4
341.13837	0.4
353.13965	1.9
409.20151	10.8
410.20718	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2013
Annotation	Bartericin C
Peak:m/z	Relative Intensity
53.00301	1.3
55.01872	4.3
55.05504	2.9
65.01406	1.3
65.03938	2.0
66.22564	1.4
67.01874	2.6
67.05499	5.4
68.99786	4.3
69.03432	2.3
69.07073	72.5
70.06601	17.2
71.06908	2.3
71.08636	1.4
71.26310	1.9
71.26646	1.5
74.51133	1.4
79.05513	2.3
81.07051	4.6
83.08608	1.7
89.06045	5.7
91.05505	3.7
93.07034	3.4
95.04968	2.5
95.08630	4.0
97.02935	1.8
99.08098	1.6
105.07038	1.9
107.08600	1.8
109.06526	3.2
109.10151	2.9
111.00849	1.6
115.05461	3.5
116.07110	14.3
117.07033	1.3
117.07422	1.1
119.08556	2.2
121.06541	3.3
121.10168	1.5
125.02380	2.2
129.07016	2.0
131.04901	2.7
131.08597	2.7
133.06496	4.0
133.08675	1.9
133.10138	1.5
135.11697	1.2
135.59943	1.3
137.02371	1.6
139.03897	4.7
141.06970	1.5
143.05000	1.5
143.08661	2.0
145.06464	8.0
145.10143	1.6
147.04428	2.7
149.02356	4.6
153.01842	100.0
153.06921	1.5
157.06488	4.6
159.04442	9.7
159.08032	2.6
159.11694	1.6
161.13303	1.3
165.01843	15.3
165.06960	2.2
165.12788	5.6
167.03415	5.6
169.02505	1.8
169.06522	2.1
171.02930	3.4
171.08112	3.3
173.05992	6.0
175.11150	1.8
177.05411	1.6
179.03413	9.9
179.08609	2.2
180.03828	2.5
181.06509	3.3
181.12428	1.3
183.02908	9.8
183.08128	2.6
185.05992	5.7
185.09697	1.6
187.07481	1.6
189.12762	3.6
195.07985	1.4
195.12260	5.0
196.12628	2.0
197.06007	2.9
197.09563	1.5
199.07576	4.9
201.05444	21.0
201.12775	28.9
203.03397	1.5
209.06107	2.9
209.09703	1.7
211.07542	4.3
213.05490	4.4
215.07098	2.6
215.10686	6.2
221.06094	3.0
223.07594	2.2
227.07069	5.6
227.10652	5.7
229.08646	5.8
241.08458	2.2
241.12154	1.7
241.15813	1.6
251.07004	7.1
253.05009	1.5
255.06549	15.9
267.06573	28.1
269.08060	3.0
279.06546	21.1
280.07254	2.8
283.13513	2.4
283.16742	2.7
285.07605	13.5
297.07596	17.6
297.10782	2.2
317.11746	1.9
317.24792	7.8
335.12796	92.2
335.25876	3.9
336.13245	2.9
341.13690	12.0
350.41867	1.5
353.13812	46.4
409.20212	11.3
409.29443	9.6
409.35104	7.5
431.31305	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.201
Annotation	Bartericin C
Peak:m/z	Relative Intensity
50.54498	1.3
54.88945	1.1
58.95595	1.3
65.03935	4.8
70.79270	2.5
79.05505	1.4
87.79482	1.1
91.05489	13.1
93.03398	3.5
93.07053	3.1
105.07017	1.8
107.04935	4.1
110.46764	1.1
115.05495	1.7
116.06237	2.0
117.07022	2.3
119.04953	3.7
119.08556	5.9
128.06181	5.9
129.06999	3.6
131.04845	1.3
131.08577	9.4
133.06496	1.4
135.04454	2.8
141.06984	4.1
144.05717	4.0
145.06496	1.9
147.04410	6.0
147.08055	2.9
149.02396	1.4
155.06102	1.4
159.04404	2.3
159.08046	11.5
161.02327	3.2
163.03908	1.5
167.03398	2.8
169.06490	2.0
171.08228	1.4
172.05289	2.4
175.03888	1.5
176.07509	1.2
179.03415	16.4
187.07535	20.8
215.07043	15.7
216.36357	1.2
217.08572	8.9
223.92450	1.3
233.08093	100.0
234.08514	2.0
235.09724	2.7
239.07027	3.7
251.09239	3.6
252.56705	1.6
271.13303	36.0
281.07999	1.7
289.14340	1.5
328.80493	1.7
335.12784	71.7
337.14273	1.4
353.13843	4.1
391.19040	36.7
409.20047	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	409.2011
Annotation	Xanthokeismin A
Peak:m/z	Relative Intensity
50.35902	0.6
52.25422	0.7
56.07115	0.6
56.80750	0.7
64.29933	0.6
65.03931	3.3
68.46646	0.6
69.07050	0.7
72.66991	0.6
88.14999	0.6
91.05473	2.2
93.03397	2.7
93.07069	0.6
98.21580	0.9
103.01782	0.8
107.08597	0.7
108.46164	0.6
109.10212	0.9
111.39186	0.6
115.05415	0.9
119.04230	0.5
119.04950	4.1
119.08588	0.8
121.02850	2.7
121.06514	0.6
129.06982	0.6
131.01318	3.4
131.08604	0.9
133.06491	0.9
134.88757	0.7
135.11688	0.7
137.02425	0.8
141.06969	1.1
147.04430	21.5
149.02353	100.0
150.02675	1.0
153.12764	1.7
159.08041	0.9
161.06027	2.3
167.03412	56.4
169.06483	2.4
179.03419	1.3
197.05972	3.3
215.07036	20.6
233.08119	4.3
269.08105	48.0
271.13223	1.2
289.14325	7.5
295.18579	0.6
309.11118	0.7
335.12845	7.5
337.14157	0.7
353.13623	0.8
391.19000	7.2
392.19431	0.9
409.20117	17.6
410.20273	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2009
Annotation	Bartericin C
Peak:m/z	Relative Intensity
55.01862	2.8
58.07768	1.2
67.01851	3.7
67.05499	2.1
68.59450	1.2
68.99805	5.7
69.03408	2.0
69.07072	53.6
70.21897	1.0
70.73968	3.5
73.06993	1.1
91.05477	2.5
92.35431	1.2
97.02888	1.9
100.58787	1.1
103.05467	2.0
107.30219	1.5
111.00812	1.3
115.05408	1.7
115.87866	1.3
117.07003	2.4
123.04372	1.7
129.06992	1.6
131.04953	3.2
133.06473	2.3
139.03955	6.0
141.07053	1.2
141.73515	1.2
143.04910	1.5
145.06493	6.8
147.04471	1.4
152.03180	1.2
153.01840	100.0
153.06956	2.4
157.06471	4.0
157.10077	1.3
159.04436	9.4
159.08055	2.9
165.01808	3.4
165.07008	2.2
169.06468	2.1
171.02962	1.9
171.04320	2.5
171.08047	2.4
173.05986	5.0
175.11256	1.4
179.03438	7.0
179.08458	1.3
181.06483	2.8
183.08057	1.6
184.05162	1.5
184.81248	1.2
185.06035	6.5
185.09685	1.6
187.07523	1.6
189.12758	3.6
193.06514	1.4
195.08014	1.6
197.06007	2.6
199.07565	5.7
201.05464	23.0
201.12762	22.7
209.05936	3.7
209.09631	2.3
211.07578	3.0
215.07065	2.0
215.10622	7.0
217.25250	1.2
221.06035	3.0
223.07631	2.4
227.07126	6.4
227.10701	5.3
229.08618	3.9
237.05301	1.6
241.12248	2.0
251.07013	5.4
253.08676	1.8
255.06577	10.6
267.06546	21.7
269.08005	2.4
279.06467	16.2
280.07263	1.4
285.07559	11.5
297.07550	13.3
335.12796	74.9
336.13275	1.8
341.13840	10.8
353.09781	2.4
353.13876	37.4
409.20154	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	409.2012
Annotation	Paratocarpin J
Peak:m/z	Relative Intensity
51.02355	0.4
53.03934	0.4
55.01876	4.4
58.82583	0.3
59.05008	0.7
65.03929	0.5
65.27184	0.3
68.99798	2.0
69.03419	0.9
69.07073	0.4
71.06348	0.7
79.01855	1.4
81.03429	2.3
91.05475	0.5
92.99763	1.3
97.02902	1.6
99.00820	1.7
105.07032	0.6
109.02862	0.9
109.96721	0.3
115.05380	0.3
119.04929	0.4
123.00065	0.3
123.00791	1.8
129.53391	0.3
131.08534	0.6
133.06497	2.5
135.04424	0.5
137.02345	3.6
141.01852	5.4
147.00795	0.4
147.04446	0.5
147.08018	0.4
151.07536	0.8
153.01851	1.8
155.03456	0.4
157.10107	0.4
159.08031	0.6
161.09651	1.4
165.01846	100.0
166.02202	1.1
167.03412	4.6
169.06577	0.6
173.09575	0.7
175.11192	0.9
179.03415	1.3
183.02902	24.3
184.03314	0.4
185.04506	0.4
185.09673	0.3
187.07478	0.6
187.11205	0.4
189.12753	4.4
191.03368	2.5
193.04982	7.5
193.06711	0.4
195.08110	1.1
197.06004	0.9
213.09158	3.3
215.07018	2.9
219.06502	0.3
221.06033	0.4
221.07962	1.4
233.08081	1.1
255.06615	0.4
267.06595	0.8
279.06561	0.4
285.07651	0.4
297.07657	0.7
309.50928	0.3
328.17490	0.3
335.12787	1.7
353.13852	38.8
354.14197	1.1
409.20142	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	409.2011
Annotation	Bartericin C
Peak:m/z	Relative Intensity
55.01880	5.7
65.03940	7.7
67.01859	2.1
67.05505	3.1
68.99802	5.2
69.07069	64.1
70.78929	3.6
81.07066	1.9
90.34151	1.8
91.05484	3.1
93.03445	3.1
103.05498	3.1
107.04939	1.7
115.05490	3.4
117.07007	3.0
119.04965	2.4
121.02887	5.8
121.06486	1.8
128.06235	2.5
129.07028	4.4
131.04927	8.5
131.08710	1.5
133.06502	6.5
137.02374	2.0
139.03893	4.4
141.07060	1.8
143.04897	2.6
143.08604	1.8
145.06424	9.9
147.04433	9.9
147.08035	2.0
149.02338	24.7
151.03893	1.8
152.06250	1.8
153.01831	91.6
157.06519	5.6
159.04420	15.5
159.08049	3.7
160.05193	1.9
161.02382	7.0
161.05988	11.8
163.03937	2.1
165.01840	24.1
165.03113	2.6
167.03407	22.6
169.06516	4.3
171.02943	1.9
171.04430	1.9
171.08073	3.9
173.05975	8.6
175.11198	2.7
177.05482	4.0
179.03433	7.2
179.08594	2.1
181.06425	2.3
183.02925	7.5
183.08159	2.5
185.05968	8.1
185.09599	1.9
187.07635	2.7
189.12755	2.3
195.08133	3.2
197.05966	7.8
199.07587	6.7
201.05472	20.6
201.12759	24.0
201.14510	2.3
203.07063	4.7
209.06062	3.5
211.07539	5.2
215.07045	17.7
215.10594	13.9
216.42613	1.6
221.06165	2.9
221.08177	6.8
223.07692	2.5
227.07089	5.4
227.10728	4.5
229.08644	6.5
233.08165	1.7
239.07047	2.0
251.07140	6.2
253.08731	2.5
255.06544	13.3
265.12363	1.5
267.06516	27.9
269.08060	9.2
279.06516	17.8
280.07098	1.9
283.16721	2.1
285.07584	21.7
293.07959	1.7
293.11819	2.6
295.09546	9.8
297.07620	12.3
317.11725	2.6
335.12799	100.0
336.13214	3.1
341.13855	14.8
353.13803	45.1
391.19025	7.1
409.20108	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2012
Annotation	Bartericin C
Peak:m/z	Relative Intensity
55.01873	2.7
66.68568	1.1
67.01875	3.7
67.05499	1.7
68.99786	3.9
69.07076	53.2
69.94573	4.4
69.94985	1.6
78.39200	1.0
79.05511	1.4
81.24531	1.1
89.59007	1.0
103.05533	1.3
111.00809	1.8
115.05464	1.9
115.65380	1.1
117.47862	1.1
128.06201	1.6
129.07042	1.7
131.04874	2.5
133.06512	2.2
139.03880	3.3
143.04875	1.2
145.06491	7.7
147.04401	2.0
153.01839	100.0
157.06502	4.1
159.04443	9.5
159.08040	2.0
165.01877	2.3
167.08627	1.8
169.06564	1.7
171.02892	4.4
171.04431	3.1
171.08046	2.3
173.06003	4.8
175.11255	2.3
177.05481	1.6
177.11200	1.2
179.03400	6.3
181.06474	2.6
183.08080	2.1
185.05966	5.0
185.09653	1.7
187.07523	1.4
189.12709	2.1
197.06009	2.4
199.07602	4.8
201.05486	17.0
201.12762	26.5
209.06020	3.8
209.09810	1.6
211.07556	4.8
213.05565	1.2
215.06990	1.8
215.10715	4.5
218.39890	1.1
221.05968	3.1
223.07565	2.8
227.07062	8.5
227.10678	4.5
229.08598	4.5
237.05432	1.7
241.08630	1.2
243.06491	1.4
249.05524	1.5
251.06985	4.3
255.06537	17.5
257.19028	3.8
267.06540	23.3
267.13718	1.2
269.08170	2.0
277.08578	1.5
279.06540	18.0
280.07288	1.6
283.16959	1.8
285.07645	9.4
297.07645	13.2
317.11731	2.1
328.29037	1.3
335.12808	83.8
336.13144	2.6
341.13919	9.9
353.13846	47.6
392.54300	1.1
409.20148	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	409.2012
Annotation	Paratocarpin J
Peak:m/z	Relative Intensity
55.01862	3.0
61.43042	1.6
64.20216	1.3
67.05494	2.1
68.99783	4.7
69.03433	2.3
69.07070	62.8
70.07410	1.6
70.97148	3.2
71.62702	1.7
77.03909	1.8
83.01297	1.3
91.05464	1.8
103.05463	1.6
115.05440	3.2
119.04960	2.9
129.06976	3.0
131.04906	3.0
133.06514	2.7
139.03914	3.4
143.04893	2.1
143.08580	1.6
145.06503	8.4
147.04410	3.7
149.02364	13.4
153.01834	100.0
153.06956	2.4
157.06476	5.3
159.04419	8.1
161.05916	1.6
165.01842	10.0
165.06990	2.0
167.03378	6.5
169.06551	1.9
170.22673	1.3
171.02919	1.8
171.04347	3.1
173.05972	5.3
175.11179	2.9
179.03372	7.5
181.06439	2.6
183.02887	3.3
183.08070	2.6
185.05995	10.3
185.09644	1.9
187.07469	2.1
189.12682	2.4
195.08095	2.6
197.05940	2.3
199.07549	5.5
201.05455	19.6
201.11058	2.7
201.12752	30.3
202.13203	2.0
209.06039	3.1
209.09679	2.5
211.07535	5.3
213.05420	2.4
215.07060	2.2
215.10573	7.8
221.05981	4.0
223.07314	1.6
227.07010	6.7
227.10672	5.4
229.08569	5.5
231.53761	1.6
251.07019	5.3
255.06487	14.4
257.18976	1.9
267.06516	26.2
269.08176	6.8
279.06552	17.2
280.07214	1.4
283.16989	1.6
285.07532	12.8
293.11639	1.9
297.07526	13.5
335.12787	86.0
336.12927	1.8
341.13943	11.4
353.13818	45.9
409.20074	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	409.201
Annotation	Xanthokeismin A
Peak:m/z	Relative Intensity
55.01862	0.5
56.27096	0.5
65.03948	3.0
67.05486	1.3
81.07048	1.5
91.05495	1.2
93.03410	2.9
93.07066	0.7
95.01319	0.6
103.01781	0.6
107.08573	0.7
109.10153	2.6
119.04961	2.8
121.02917	2.7
121.06523	1.2
123.11712	0.8
127.65761	0.6
131.01283	4.6
147.04425	14.7
147.08124	0.7
149.02348	100.0
151.03912	1.2
159.40938	0.5
161.02303	0.8
163.03912	2.2
167.03409	54.4
168.03802	0.6
171.89412	0.6
185.09607	0.7
189.05482	5.1
191.07004	1.5
203.07025	3.9
215.07068	1.5
269.08105	48.7
270.08426	1.9
271.13336	2.9
283.09830	0.6
289.14380	2.3
309.11243	10.2
323.12988	0.8
327.12326	1.6
363.57364	0.6
391.19156	8.7
392.19022	0.9
409.20187	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.201
Annotation	Tetrapterol D
Peak:m/z	Relative Intensity
55.01869	3.9
63.28564	1.2
65.03939	1.9
67.01858	3.1
67.05508	2.1
68.99793	3.0
69.07065	3.5
69.63966	8.4
69.88643	1.2
77.92112	1.3
79.05502	2.1
81.07079	6.5
87.25888	1.3
91.05474	5.5
95.08620	3.7
98.21445	2.4
103.05489	2.4
105.07064	2.0
107.04963	2.3
115.05478	2.2
115.31607	1.3
116.06248	1.6
117.07028	1.5
119.08567	3.8
119.76154	1.4
123.11737	6.7
125.02345	2.4
128.06216	3.6
129.07013	2.5
131.04951	2.4
131.08565	5.4
133.06494	6.3
139.03946	1.8
141.06976	2.9
144.05714	2.3
145.06454	4.5
147.04436	2.8
147.08018	2.3
153.01837	100.0
159.04367	4.5
159.08069	5.9
161.02307	1.5
161.06010	6.3
165.01854	3.1
165.06932	1.9
169.06532	4.8
171.02910	7.2
171.08095	1.2
173.05962	10.0
179.03421	19.3
181.06512	1.7
187.07512	10.6
197.06003	13.0
199.07455	2.5
201.05490	2.6
201.12753	2.2
215.07036	50.0
215.09135	2.5
217.08586	3.1
221.05962	10.1
233.08110	42.7
243.06566	2.3
249.05315	1.9
257.19104	2.0
267.06549	45.7
271.13297	10.7
281.08118	2.1
283.16965	1.7
285.07602	32.9
299.09122	10.1
301.04321	1.3
313.10751	9.1
327.12296	9.6
335.12820	34.0
337.14102	2.0
339.12167	2.4
353.13858	13.4
379.32623	1.4
391.19150	16.3
396.17322	1.5
409.20135	38.5
418.56519	1.5
426.07312	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2013
Annotation	Kuwanol D
Peak:m/z	Relative Intensity
65.03952	3.1
67.37872	0.5
67.61798	0.4
69.40224	0.4
69.64952	1.9
69.65368	0.9
93.03405	1.3
98.20810	0.5
98.76311	0.4
102.67783	0.4
109.10172	0.9
111.04436	0.5
119.04960	0.4
121.02898	2.2
121.06515	0.8
124.28625	0.4
131.01312	3.6
136.75484	0.4
137.02388	0.6
147.04434	1.4
149.02351	100.0
150.02631	1.2
161.73383	0.4
163.03844	0.6
167.03412	57.7
168.03798	0.6
179.03470	0.6
189.05450	0.6
215.07007	0.6
233.07967	0.7
238.57518	0.4
245.11708	0.5
269.08099	65.6
270.08441	1.8
271.13229	1.2
289.14297	0.6
353.13651	0.8
358.49133	0.5
391.19113	6.0
409.20145	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	409.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85568	0.4
65.03941	3.0
67.05498	0.6
69.07060	1.2
69.80317	2.2
71.33459	0.4
81.07042	0.8
93.03387	1.7
95.08601	0.6
98.20748	0.6
101.20484	0.5
107.05023	0.5
109.10155	1.7
119.05032	0.6
121.02913	2.4
121.06535	1.3
123.11726	0.9
125.71855	0.4
131.01299	3.2
137.02336	1.6
147.04407	2.2
149.02351	100.0
150.02643	1.3
163.03992	0.9
167.03418	55.1
168.03760	1.1
175.03807	0.5
203.07001	1.4
239.07019	0.6
269.08099	58.8
270.08502	2.2
271.13330	1.6
281.08185	0.6
285.07587	1.1
289.14395	1.1
321.11084	0.7
335.12967	0.7
391.19043	8.6
409.20102	14.9
409.25366	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2012
Annotation	Paratocarpin J
Peak:m/z	Relative Intensity
55.01865	2.4
59.43685	0.5
68.99791	1.4
69.03413	0.6
69.83044	2.9
78.14984	0.5
79.01868	0.9
81.03415	1.8
86.65624	0.6
92.99805	1.0
97.02888	0.8
98.20776	0.6
99.00803	1.6
123.00780	2.1
133.06500	2.7
137.02351	3.0
137.05898	0.7
141.01860	4.2
149.02371	2.8
157.93501	0.7
161.09679	1.1
165.01846	100.0
167.03410	5.4
173.09660	1.3
175.11127	0.6
183.02905	25.4
189.12752	5.5
191.03343	1.8
193.04971	8.8
194.72769	0.5
195.08191	0.7
213.09073	2.8
221.08087	1.7
269.08115	1.1
353.13864	65.4
354.14142	2.7
409.19958	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	409.201
Annotation	Cathafuran D
Peak:m/z	Relative Intensity
51.08855	0.8
51.85723	0.7
55.54357	0.8
62.49971	1.0
65.03939	15.8
69.07056	1.2
69.81913	5.0
70.82212	0.8
71.05000	1.8
80.09158	1.0
91.05490	3.5
93.03423	11.9
93.03992	1.4
100.27470	1.0
119.04905	1.9
119.08514	1.0
131.08569	1.6
135.04404	1.2
144.05731	1.5
147.04433	6.4
147.08055	1.9
149.02354	1.4
153.92093	1.0
159.04395	1.0
159.08018	2.0
161.02341	20.7
163.03912	1.1
167.03322	1.0
179.03400	100.0
180.03732	1.2
187.07547	3.0
194.95334	0.9
213.93945	0.9
215.07031	3.3
217.08617	44.3
225.08531	1.0
233.08089	17.6
235.09674	13.1
239.07069	1.1
245.11632	1.4
251.06679	1.7
251.09160	24.3
269.08057	2.0
271.13416	4.9
281.08115	16.2
289.14307	10.8
290.14838	1.1
293.08093	1.0
305.37851	0.9
335.12796	8.3
337.10300	1.9
337.14331	31.0
338.14743	1.2
353.13870	24.0
391.19077	16.2
409.20078	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2011
Annotation	Paratocarpin J
Peak:m/z	Relative Intensity
50.53454	2.5
52.84307	2.4
53.03943	4.2
55.01865	6.1
55.05500	8.3
59.04990	4.0
64.14365	2.7
65.03927	6.4
67.05502	19.2
68.99785	5.3
69.03429	6.0
69.06737	3.7
69.07073	54.5
71.04990	10.9
71.43460	2.4
74.81525	2.6
79.05491	19.7
81.07075	17.9
83.04947	3.3
85.06521	2.9
91.05481	29.9
93.07049	19.8
95.04952	24.7
95.08617	18.6
97.06515	4.1
103.05469	6.6
105.07040	53.0
107.04966	4.7
107.08588	11.8
109.06541	6.3
109.10123	8.5
110.97176	3.3
115.05470	8.7
117.07025	15.3
119.04930	11.1
119.08591	31.3
121.00106	2.9
121.02860	6.7
121.06515	19.1
121.10159	7.1
123.08083	6.5
123.11694	5.9
124.70464	2.8
128.06239	4.7
129.07025	6.0
130.07780	3.6
131.01289	3.2
131.04907	5.3
131.08574	14.7
133.06512	19.9
133.10121	6.5
135.08047	12.9
135.11679	3.9
137.02341	5.7
137.06018	4.1
139.03880	8.0
142.07761	6.8
143.08549	9.9
145.06566	21.1
145.10124	17.8
147.04390	17.3
147.08070	6.7
147.11642	17.8
149.02342	73.4
149.09650	7.0
151.07468	7.8
153.01836	72.4
155.08595	5.7
157.10126	9.7
159.04407	8.5
159.08018	5.9
159.11671	6.9
161.02306	7.2
161.05984	73.3
161.09602	5.3
163.11160	4.3
165.01849	47.0
165.07062	4.0
165.09094	12.1
167.03406	97.7
169.06462	3.3
169.10175	5.8
171.02885	4.4
171.11740	3.0
173.06027	14.7
173.09692	3.4
173.13243	4.2
175.07681	3.1
175.11223	14.4
175.14818	3.6
177.05460	5.2
179.03407	17.1
181.06578	3.4
183.02905	27.8
183.11682	4.8
185.05949	4.0
185.13210	4.5
187.07512	4.5
189.05716	4.4
189.12698	9.5
191.07019	6.6
193.05066	3.3
196.12537	3.8
199.07538	4.4
199.11287	4.3
201.05469	50.2
201.12753	23.9
203.07021	3.6
203.14389	5.8
207.13762	3.8
211.07495	6.8
211.11055	3.1
215.07060	7.2
215.10654	6.7
219.06535	100.0
221.15321	25.2
227.07025	6.7
227.10765	7.0
229.08733	3.3
229.15881	5.0
233.08055	17.8
234.16144	7.5
237.07529	14.9
239.07036	4.2
251.06863	3.4
255.06514	11.0
255.94215	2.8
255.97137	3.9
267.06558	22.2
269.08057	49.1
271.13257	6.8
277.08600	3.5
279.06622	9.9
283.09662	15.9
285.07590	23.0
287.20087	3.6
289.14355	6.7
295.09637	7.6
297.07617	12.7
335.12781	88.8
341.13806	7.9
353.13828	85.8
381.13110	6.3
391.18954	10.0
409.20041	62.6
409.27301	18.6
409.32584	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	409.2011
Annotation	Xanthokeismin A
Peak:m/z	Relative Intensity
55.05528	0.8
56.06797	0.5
65.03942	3.5
65.86327	0.6
67.05508	0.7
69.07061	1.0
69.30764	1.5
69.31184	3.2
81.07064	0.8
82.92711	0.5
88.24181	0.5
93.03404	1.9
93.07038	0.8
95.01332	0.9
107.08611	0.9
109.10176	1.8
119.04964	1.2
121.02886	2.9
123.11721	4.1
128.08766	0.6
131.01283	3.4
131.13435	0.5
135.11702	1.4
137.02342	1.5
147.04391	3.4
149.02357	100.0
150.02821	0.7
151.03954	0.9
159.41869	0.5
163.03954	2.0
164.14369	0.5
167.03421	56.0
172.25003	0.5
177.01808	0.6
177.05489	0.9
179.03531	0.6
189.05486	1.3
191.07071	0.6
193.05043	0.8
203.07103	1.5
207.06573	0.7
215.07170	1.6
219.06622	1.9
257.08127	0.6
269.08109	60.5
270.08386	2.2
271.13318	7.8
271.48441	0.5
288.72031	0.5
289.14365	10.8
323.12872	1.2
323.42416	0.5
335.12518	0.6
391.19012	6.1
409.20197	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2012
Annotation	Xanthokeismin A
Peak:m/z	Relative Intensity
53.00304	0.4
53.03921	0.2
53.05992	0.2
55.01868	0.2
55.05510	0.3
65.03942	2.8
67.05496	0.5
70.78969	0.6
79.05413	0.2
81.07045	0.5
93.03413	2.4
93.07077	0.4
95.01323	0.3
95.08617	0.3
107.08591	0.2
109.10194	1.1
111.04493	0.3
119.04960	0.5
121.02897	2.2
121.03764	0.4
121.06511	0.9
123.11704	0.5
131.01302	3.8
135.11688	0.3
137.02440	0.3
147.04419	1.6
147.08078	0.4
149.02353	100.0
150.02693	1.2
152.49103	0.2
159.48561	0.2
159.77965	0.2
163.03900	1.0
167.03412	57.3
168.03746	0.7
175.00113	0.2
177.05496	0.3
181.05009	0.3
187.03864	0.3
189.05467	0.4
191.07057	0.5
215.06992	0.4
263.48074	0.2
269.08105	54.5
270.08362	1.5
271.13229	1.6
281.08069	0.8
289.14471	0.5
295.09448	0.2
309.11368	0.2
391.19052	7.4
409.20142	14.3
410.20490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2014
Annotation	Xanthokeismin A
Peak:m/z	Relative Intensity
51.93226	0.4
53.62149	0.4
55.05495	0.8
65.03934	3.2
65.62524	0.4
67.05521	0.9
69.07052	0.8
70.01742	1.6
81.07053	0.8
91.05500	0.8
93.03388	1.6
93.07031	0.6
107.08643	0.4
107.87405	0.3
109.10170	1.5
111.04487	0.5
119.04987	0.5
121.02869	2.3
121.06507	0.9
123.11703	0.9
131.01288	4.3
137.02412	0.5
147.03372	0.4
147.04396	2.4
147.08035	0.7
149.02351	100.0
150.02667	1.4
151.94440	0.4
163.03886	1.0
167.03415	60.6
168.03796	0.9
177.05515	0.4
187.03973	0.5
189.05408	0.9
220.72461	0.4
245.11836	0.5
269.08109	58.1
270.08414	1.4
271.13318	1.6
281.08176	1.0
289.14432	0.5
295.09616	0.6
302.73120	0.4
391.19086	8.4
409.20166	13.7
410.19998	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32307	0.5
69.39789	2.2
69.40199	1.0
81.07044	0.7
83.03467	0.4
91.05467	0.7
93.07062	0.5
105.07069	0.4
106.45717	0.4
107.08591	0.9
119.08559	0.6
121.02898	0.9
121.06538	0.5
153.60983	0.3
165.01875	0.6
195.02771	0.5
203.05307	0.6
229.12079	0.8
247.13177	1.7
295.06122	3.2
309.07513	0.6
313.07190	0.4
321.07742	0.6
325.07129	1.8
335.09091	0.5
349.07120	0.4
363.08456	0.5
391.08167	1.2
396.81198	0.4
409.09311	4.4
409.18344	100.0
410.18793	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2011
Annotation	Xanthokeismin A
Peak:m/z	Relative Intensity
50.70148	0.4
53.00318	0.5
65.03938	3.7
67.05493	1.2
69.07077	1.9
70.99203	1.1
79.05508	0.7
81.07066	1.3
84.36024	0.5
91.05485	1.4
93.03391	2.7
93.07034	0.8
95.08656	0.6
107.08591	0.9
108.74439	0.5
109.10162	2.4
119.04939	3.5
121.02855	2.9
121.06500	1.1
123.11722	1.3
131.01286	4.5
133.06473	0.5
135.11700	0.7
135.37311	0.5
147.04419	6.9
147.05511	0.6
147.08049	1.3
149.02348	100.0
150.02692	0.9
151.03973	0.8
161.02350	1.5
161.06017	0.9
163.03940	3.7
163.64491	0.5
167.03409	60.9
168.03748	0.5
175.03989	0.6
177.05489	0.7
179.03401	1.1
181.05051	0.6
182.24243	0.4
187.04005	1.4
189.05449	1.6
203.07033	10.6
203.75682	0.5
210.15070	0.4
215.07076	1.8
221.08122	1.2
233.08032	0.5
268.82587	0.4
269.08096	47.7
270.08395	0.9
271.13342	4.8
281.08063	1.0
283.09634	0.8
289.14352	3.5
307.09705	1.1
323.12781	7.4
337.14346	0.5
391.18933	7.0
409.20169	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	409.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
70.79035	0.8
70.79376	0.7
93.03394	0.4
94.38015	0.4
115.26455	0.4
121.02891	0.6
129.22992	0.4
140.01216	0.5
144.50735	0.4
179.03471	0.8
185.04175	3.0
207.03148	0.6
247.05804	2.9
268.07565	0.5
272.75888	0.5
295.06021	2.0
296.06705	0.7
307.06247	0.5
325.07098	10.7
391.08130	0.5
409.11026	9.9
409.18347	100.0
410.11584	0.5
410.18567	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
71.12457	0.5
107.01020	0.3
126.68607	0.3
135.11722	0.2
138.80080	0.2
147.04391	0.3
203.05231	0.5
222.09457	0.3
247.13071	2.5
292.05518	0.3
295.06134	0.6
325.07101	0.5
409.18350	100.0
410.18799	2.1
423.25836	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58939	0.3
67.05540	0.4
69.03427	0.4
69.25902	3.0
70.56041	0.3
72.50706	0.3
85.02891	0.4
98.21516	0.8
98.97620	0.5
105.07005	0.3
109.10149	0.4
121.10341	0.3
151.07547	0.4
162.06491	0.5
163.02994	0.4
173.05740	1.0
188.07658	0.3
203.05209	2.0
229.11972	4.1
247.09418	5.9
247.13034	3.2
295.06097	1.1
409.18384	100.0
410.18793	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
63.81255	0.3
67.09804	0.3
69.03429	1.2
70.99831	0.7
91.05486	0.4
95.55239	0.3
98.97590	0.6
105.07011	0.4
112.94041	0.3
115.10760	0.4
118.62688	0.3
121.02869	0.8
124.18217	0.3
125.09644	3.3
133.10179	0.4
180.27814	0.3
189.01833	0.4
189.08977	0.5
195.03047	0.4
199.94096	0.3
203.03499	0.6
211.16978	2.0
229.12068	1.0
229.17966	0.4
247.13051	1.3
269.73990	0.4
285.09528	1.0
295.06024	2.3
307.06052	1.1
325.07120	2.1
335.09241	0.7
337.07068	0.4
363.08450	0.5
373.07248	0.4
391.07990	2.0
409.09268	3.3
409.18365	100.0
410.18771	2.4
426.25220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
59.78870	0.8
69.56633	2.2
69.57059	3.1
70.06606	1.4
84.08119	0.8
85.02893	1.8
97.02895	0.9
98.97581	1.4
117.62608	0.8
123.21690	0.7
125.84183	0.8
127.03940	0.9
160.43915	0.8
161.59555	0.8
167.07121	1.0
185.04268	1.4
197.10870	0.8
198.07846	1.0
199.08710	2.4
203.05240	4.7
211.08743	4.6
211.12160	1.0
212.09413	1.7
213.10249	2.2
215.09531	1.1
215.11769	1.5
217.09729	1.9
224.09483	0.8
225.10291	5.7
227.08189	1.0
229.09761	2.1
239.08121	6.5
239.11880	3.7
240.08978	3.0
241.09685	5.7
243.07689	1.5
243.11273	6.1
247.05997	0.9
252.08998	1.2
253.09781	5.0
257.09259	1.5
257.12875	1.2
259.10782	2.8
267.07748	2.0
267.11298	4.0
268.08459	4.8
269.09238	1.1
271.10794	24.3
273.12347	2.1
275.10284	2.5
277.11871	3.0
281.09171	1.6
285.08670	2.4
285.12381	3.8
289.11929	2.0
295.10828	4.1
300.11066	1.5
301.06412	0.9
303.09763	1.0
313.11844	6.7
317.11496	1.9
323.10275	6.6
325.07068	1.2
327.13358	0.9
335.12442	3.9
341.11359	16.4
345.14526	1.7
355.12906	3.4
359.12354	2.5
373.13950	12.5
391.15009	20.6
392.15485	0.9
409.16058	100.0
410.16339	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	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69037	0.4
55.01873	0.7
56.96568	0.6
68.98882	0.5
70.98960	1.2
71.04996	0.7
71.16650	0.5
71.93549	0.4
81.07072	0.6
85.02918	0.5
93.07047	0.8
95.04981	3.1
96.05298	0.6
98.34917	0.5
98.97587	1.6
116.98641	0.6
119.04970	0.8
121.02886	4.1
134.10133	0.5
145.02800	0.7
150.65645	0.4
151.03897	0.5
158.99683	0.8
189.01878	1.5
203.03398	1.4
207.02898	0.8
217.05046	0.9
229.11981	0.9
236.27121	0.5
245.04453	1.0
247.13150	1.7
267.06564	0.7
268.07220	0.8
270.36673	0.6
273.03818	0.5
279.06570	0.7
293.08176	0.4
294.05225	2.0
295.06049	3.4
296.06671	0.8
297.07538	0.6
306.08734	0.5
307.06018	2.9
308.06747	0.8
309.07443	0.6
319.06137	0.7
320.06750	0.9
321.07596	2.8
325.07120	9.8
333.07559	0.6
335.09015	2.8
336.06174	0.7
337.07098	1.7
345.07629	1.4
349.07184	2.1
351.08557	0.7
363.08759	3.6
391.08148	9.8
409.10104	12.4
409.18350	100.0
410.18619	2.1
427.16470	1.5
428.16647	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.1
56.96572	0.9
61.26974	0.6
64.24241	0.8
65.03938	0.8
67.05468	0.7
68.99786	0.7
69.03428	1.0
69.54922	0.7
70.21061	2.8
70.60950	0.7
72.08177	0.9
74.67933	0.7
79.05495	1.6
81.07082	1.1
81.39432	0.7
85.02924	2.0
86.09722	0.8
91.05488	2.9
93.03419	1.5
93.07047	1.1
95.04980	2.1
97.02911	1.0
98.97604	7.1
103.05505	0.7
105.03421	2.7
105.07040	1.5
107.04964	2.7
107.08586	1.1
109.02899	2.0
109.06535	0.6
111.04446	1.4
115.05467	1.2
116.98645	3.0
118.04198	1.2
119.04953	6.6
119.08582	0.8
121.02873	28.0
121.06530	2.8
123.04349	0.6
125.16438	0.7
131.04922	1.8
133.10138	1.6
135.04446	2.6
136.07588	1.3
139.61229	0.7
145.02888	4.4
147.04422	2.7
149.02328	0.8
149.05995	1.6
151.03920	0.8
151.11183	0.8
158.99655	1.5
159.04446	3.0
160.05193	0.8
161.02422	1.4
161.05966	1.3
163.03940	1.9
171.04501	1.5
173.02406	1.2
175.03906	1.6
175.14890	1.0
176.01079	0.9
177.01903	5.2
177.05540	1.0
179.03445	3.4
183.04530	1.2
187.03888	1.5
189.01830	3.8
189.05482	3.1
191.03456	1.8
193.05038	0.9
194.02249	0.7
195.02937	4.7
199.03986	2.6
201.05600	0.8
202.02686	2.2
203.03407	8.6
206.08972	1.1
207.02890	4.4
211.03877	1.0
212.13704	1.3
215.03499	2.0
217.04982	8.8
219.03133	0.9
221.04541	1.5
227.03548	2.6
231.02927	1.9
235.05994	0.9
245.04495	4.7
247.04999	1.1
247.13132	1.1
251.07115	1.0
255.02852	1.3
263.07050	1.0
267.06628	2.3
268.07385	3.0
273.03989	3.4
277.08777	1.7
279.06680	2.5
280.07449	1.3
281.08020	2.1
283.05927	3.4
284.06702	1.1
285.08780	1.0
289.05963	1.0
289.08710	1.3
291.06714	1.6
292.07379	3.6
293.07980	3.3
294.05261	5.8
295.06027	30.7
296.06674	3.9
297.07501	5.8
305.08191	2.7
306.09058	2.8
307.06104	14.7
307.09750	2.4
308.06790	4.5
309.07635	9.1
313.07755	2.2
317.08170	1.1
319.06134	3.2
320.06735	7.5
321.07602	17.5
322.08517	1.2
323.05621	2.3
323.09137	1.7
325.07083	41.8
326.07532	1.6
329.08270	2.3
331.05936	1.4
331.09433	1.4
333.07608	7.4
333.10983	0.9
334.08322	5.6
335.05222	1.4
335.09180	21.7
335.13040	1.4
336.06351	2.1
337.07089	13.2
338.07965	0.9
339.08563	7.9
345.07614	8.7
345.11215	1.1
347.09375	1.2
349.07007	18.8
351.08786	2.9
353.06384	0.9
353.10486	1.2
359.08740	0.9
362.08032	1.2
363.08643	32.1
363.13129	1.6
364.09134	0.9
367.08264	2.6
373.07086	6.8
379.08054	3.9
381.10001	1.0
391.08154	72.3
392.08371	3.8
409.04211	1.6
409.09357	71.1
409.18289	100.0
410.09735	3.6
410.18820	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1474
Annotation	Fortuneanoside C
Peak:m/z	Relative Intensity
56.96574	1.3
69.03436	2.2
70.83074	2.2
70.83418	2.4
83.76409	1.4
85.02893	1.8
91.05477	1.3
97.02906	2.4
98.97587	8.0
112.74580	1.4
116.98598	2.4
120.08084	1.3
121.06518	1.3
133.10106	1.1
160.02135	1.7
161.09653	1.5
162.10095	1.4
185.04240	36.1
203.05391	1.7
237.02794	1.8
247.09454	95.3
265.09171	2.3
295.06131	1.6
307.12360	1.4
327.33694	1.4
409.14676	100.0
410.15051	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	2.0
69.88053	3.1
69.88470	1.4
84.08145	1.1
86.09706	2.0
88.69890	0.9
91.05500	1.2
93.03384	0.8
93.07037	0.8
98.20758	0.9
98.97588	1.3
109.02878	1.0
115.50257	0.9
117.03395	1.2
119.04936	1.6
121.02854	2.0
123.04420	2.3
145.02902	2.3
147.04427	3.5
163.03903	1.5
177.05464	2.0
178.76114	0.9
189.01947	0.9
189.05582	1.4
199.03757	1.4
203.03516	1.3
203.05269	27.6
203.07118	1.6
207.02974	1.8
229.08328	2.4
233.02686	2.9
239.02443	1.4
245.04695	1.5
247.04541	2.4
257.04449	1.1
265.05524	2.3
268.07388	1.8
287.05588	3.3
289.05484	0.9
295.06073	3.3
296.06802	1.8
297.07520	1.1
307.06311	2.2
325.07086	20.1
337.07257	1.0
349.07712	2.8
367.08856	1.9
391.08133	2.4
397.10791	1.1
409.09744	7.3
409.14743	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.147
Annotation	Ginkgolide A
Peak:m/z	Relative Intensity
56.96567	0.7
59.57357	0.6
70.06581	0.7
71.11661	0.7
71.11985	0.6
72.08154	0.7
77.62217	0.6
91.05451	0.7
98.97601	1.1
107.04952	0.7
109.02879	0.7
110.07152	0.6
119.01913	0.7
119.04928	1.8
121.02898	0.8
123.04422	1.4
131.01912	1.1
139.03987	0.6
145.02850	2.1
147.04408	3.2
149.05989	1.2
163.03957	1.5
177.05566	3.1
179.03311	0.6
189.05486	1.3
199.03757	1.9
200.13991	0.6
203.03526	1.1
203.05264	27.1
207.02919	1.2
229.08383	2.3
230.64032	0.7
233.02715	4.5
245.04442	0.7
247.04599	2.4
247.09433	0.8
259.06354	0.8
265.05624	2.6
267.06479	0.9
279.06610	0.8
283.06247	1.4
287.05493	2.0
288.88391	0.7
289.05505	0.8
291.06955	0.7
295.06088	2.6
296.06924	1.4
297.07483	1.1
307.06497	2.5
321.07623	0.8
325.07098	13.5
349.07684	4.3
367.08643	3.7
375.67365	0.6
391.08298	0.7
409.09531	6.5
409.14706	100.0
410.15115	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99868	2.0
61.73266	1.6
65.63045	2.1
70.38262	6.6
89.03938	10.7
98.97584	2.3
101.00893	14.2
113.00865	2.0
115.02449	2.5
117.03394	35.4
119.01921	15.1
127.02410	4.0
131.01924	5.2
133.03467	3.8
134.03632	2.5
139.02417	3.9
141.04013	2.3
143.01875	14.3
145.02805	72.6
147.04372	3.4
149.06013	11.7
155.01924	6.1
156.02695	4.4
157.03479	11.2
159.05008	3.3
161.02980	12.3
167.01958	2.0
173.02997	7.8
175.04482	3.7
177.05489	100.0
178.05705	2.3
183.05017	2.6
184.02228	4.4
185.03017	5.2
187.04523	3.3
199.03670	69.7
203.04083	3.6
211.04497	2.4
215.01736	7.0
220.02213	3.1
221.03014	3.3
223.04509	2.0
231.03485	3.0
233.02713	89.4
235.04630	3.5
235.06699	13.2
245.05107	2.8
247.04422	3.3
253.07782	7.3
259.04623	5.8
262.03180	3.4
271.06754	2.6
277.07819	30.8
289.04068	5.5
295.06122	4.0
295.09241	13.5
303.09338	16.8
305.07156	2.7
307.05142	7.1
321.06857	2.6
321.10187	5.0
329.07135	3.6
334.62320	2.5
339.07968	2.9
347.08054	3.8
373.05902	2.7
391.07016	6.6
409.07404	37.5
412.15771	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	409.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	0.8
65.03925	0.4
69.03419	0.4
69.76315	1.5
70.06591	0.9
81.03455	0.3
82.68424	0.3
84.04501	0.5
84.08146	0.5
85.02908	0.7
86.09689	0.7
91.05473	0.7
93.03419	0.5
95.04971	0.3
98.97617	0.6
105.07092	0.3
107.04968	0.4
119.04934	0.9
119.08573	0.4
121.02864	2.6
131.08582	0.4
136.07585	0.5
147.04449	0.5
151.03966	0.4
177.01863	0.6
179.03456	0.8
185.04242	8.7
189.01823	0.7
189.05547	0.4
195.02911	0.6
200.70256	0.3
203.03542	0.6
203.05302	0.4
207.02901	1.0
217.05067	0.4
247.05815	6.9
262.90707	0.3
267.06558	0.7
268.07251	0.8
271.10773	0.7
279.06381	0.6
295.06085	4.5
296.06839	1.2
297.07565	1.7
307.06027	2.3
313.07309	0.3
321.07596	0.6
325.07111	19.8
335.09225	1.3
349.07162	0.4
363.08606	1.0
391.08087	2.3
391.15033	0.7
409.10867	23.0
409.18283	100.0
410.18695	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43627	8.6
55.05488	8.2
67.05500	13.0
69.07032	9.8
70.06597	12.1
71.13944	18.8
71.14296	7.7
79.05508	12.8
81.07041	26.9
85.02892	8.8
93.07047	12.2
95.04973	8.0
95.08633	13.8
98.97591	20.4
99.08093	59.8
105.07023	13.6
105.69904	8.6
107.08578	20.8
109.06498	9.0
109.10158	24.4
118.38103	7.2
121.02881	23.9
123.11727	40.5
133.10121	54.6
135.11687	18.0
137.09615	14.9
143.66417	7.6
158.99686	10.6
175.14754	18.6
189.01833	18.4
193.15910	65.7
193.51437	7.2
207.02852	10.5
211.13341	23.7
237.02739	10.3
294.05127	14.7
297.07639	10.1
305.10553	8.6
307.06158	49.7
319.05942	11.0
321.07700	13.9
325.07114	100.0
335.09238	16.8
349.07104	14.4
363.08630	25.4
391.08301	55.3
408.19788	9.5
409.09274	89.5
409.18365	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.01859	1.6
55.05504	2.5
61.02900	0.7
67.05502	4.8
69.03414	3.0
69.07063	3.5
69.53245	2.1
69.53675	2.1
71.04981	1.0
79.05486	2.6
81.03410	1.2
81.06592	0.8
81.07061	13.2
83.04987	3.1
83.08613	1.1
84.05318	0.9
85.02912	5.3
85.06539	1.3
91.05489	8.2
93.07029	2.6
95.04958	1.5
95.08585	2.5
97.02891	2.7
97.06519	2.7
98.97558	1.7
99.04453	1.5
105.07044	7.9
107.08570	2.5
109.02883	1.7
109.06506	3.0
109.10166	0.9
119.08598	7.8
120.08118	0.9
121.10143	4.4
123.04459	0.9
123.08065	1.0
123.11717	9.1
127.03894	1.1
128.04269	0.6
128.06152	0.7
129.06993	1.0
131.08575	1.7
133.10118	3.3
135.08064	5.3
136.08408	2.9
142.07767	1.0
145.10153	0.9
147.08026	0.8
147.11699	27.2
149.09660	1.0
151.07616	0.6
156.09155	0.7
157.10159	6.2
158.10591	0.7
159.11650	1.1
165.12761	11.3
170.06894	0.6
171.08026	0.8
172.08644	0.8
172.11983	1.2
173.09355	0.7
174.09978	0.9
175.11226	6.2
184.12131	1.0
185.09225	1.2
186.09842	0.9
188.11511	0.8
193.12244	2.4
199.11195	2.1
200.11565	2.9
203.10736	0.9
204.11021	1.7
211.13324	2.4
212.08211	0.9
213.08693	1.1
215.10690	2.9
216.11038	5.7
222.04382	0.7
227.10684	1.8
228.11040	3.0
229.14363	100.0
230.14725	2.8
233.11768	0.7
234.12123	1.3
238.41345	0.7
245.11774	2.4
246.12088	5.6
247.09486	3.7
275.69238	0.6
371.64200	0.8
409.14709	1.3
420.15244	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	12.6
56.96558	7.1
67.05507	18.0
69.03431	10.2
69.07071	9.4
69.41179	5.3
69.74808	25.4
70.06606	10.2
71.04960	7.5
76.97813	4.6
79.05485	6.2
81.03448	4.9
81.07072	37.0
83.04978	5.9
83.08628	11.2
85.02916	11.8
85.06548	8.1
86.09715	19.5
91.05505	16.0
93.07048	11.9
95.08611	9.3
98.21478	6.3
98.97591	17.3
99.08123	4.9
102.05499	5.7
105.07050	19.9
107.08660	9.1
120.08122	30.4
121.10176	16.1
123.08098	9.5
123.11723	74.6
133.10147	7.7
136.07559	17.5
137.13300	8.7
142.79430	5.0
144.80412	5.3
147.11690	46.2
158.99657	9.0
165.12766	72.1
183.13835	100.0
191.14198	6.8
198.05702	4.7
201.03729	9.1
201.14886	77.4
266.58441	5.7
273.09549	16.5
277.30667	5.7
295.06137	12.6
325.07129	5.6
347.13074	8.8
381.22281	5.3
409.09158	13.5
409.18491	82.2
427.16565	6.1
431.00330	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	408.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	8.5
58.56168	5.5
62.06086	6.7
67.05482	11.1
69.07069	9.0
69.73515	35.2
70.06586	8.6
76.93552	6.3
81.07050	7.7
85.02875	12.1
86.09682	16.5
91.05473	7.7
93.07030	9.8
94.72627	6.1
95.08641	6.5
97.02882	6.9
98.97569	7.4
99.08092	15.7
105.07047	7.2
107.08624	6.9
109.10161	10.9
110.07165	15.6
121.02881	19.7
123.07981	8.2
123.11723	7.5
133.10094	20.6
135.11734	12.0
136.20763	5.8
175.14781	11.7
189.01871	9.8
193.15939	16.0
203.03461	8.0
204.06525	16.2
207.02840	7.2
211.13264	8.9
262.98901	6.3
294.05377	7.4
294.86047	6.7
295.05954	9.8
297.07581	10.6
307.06055	40.3
321.07578	11.8
325.07071	83.8
335.08957	7.2
337.06973	10.8
345.14368	14.4
390.13715	11.3
391.07895	31.3
403.03146	8.7
409.09341	66.2
409.18271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97558	1.3
53.03952	1.4
55.01870	2.9
55.05513	4.4
57.03457	2.2
61.02921	2.6
63.98848	1.3
66.93513	1.2
67.05506	9.6
69.03437	5.0
69.07080	7.6
69.56345	2.2
69.56754	8.0
79.05495	5.6
81.03427	2.2
81.07065	37.9
83.04964	2.9
83.08625	5.3
85.02908	17.0
85.06538	3.8
91.05479	10.2
93.07037	6.0
95.08607	8.4
97.02892	4.7
97.06542	2.6
98.21482	2.6
99.04457	1.7
99.08086	2.8
105.07030	20.0
107.08593	8.0
109.02878	1.6
109.06538	1.5
119.08595	14.4
121.10146	15.1
123.11720	21.0
127.07533	1.9
137.09494	1.5
145.04956	2.9
147.11699	59.0
157.10075	1.5
165.12770	40.7
178.91530	1.8
180.08792	3.3
183.13837	18.8
193.12297	5.3
208.65642	1.6
211.13338	8.8
215.71652	1.5
229.14368	100.0
230.14607	1.6
294.56671	1.4
344.01566	1.8
361.02411	1.5
362.02628	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	408.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.8
55.05500	3.8
56.96562	2.3
67.05511	3.1
69.03421	2.8
69.07063	6.4
69.47771	1.8
70.06603	2.5
70.90053	5.9
72.08143	2.5
79.05493	3.2
81.03427	3.4
81.07050	5.6
83.04987	3.6
84.08105	2.0
85.02908	11.3
85.06534	2.6
86.09718	10.3
91.05495	12.4
93.03386	3.4
93.07043	8.3
95.04980	4.8
95.08591	2.9
97.02858	4.3
98.97581	8.1
105.03419	2.8
105.07013	10.0
107.04950	2.2
107.08603	5.7
109.02893	2.5
109.06509	9.9
109.10207	3.0
111.63522	2.1
119.04935	7.5
119.08623	2.6
120.08117	5.4
121.02862	25.6
121.06576	2.2
127.07526	1.9
127.92213	2.0
131.08601	5.5
133.10138	50.5
134.10394	2.4
137.05995	6.5
145.02875	4.8
147.04422	5.6
147.11693	12.1
151.11192	38.4
155.07085	9.9
158.92007	2.1
161.05969	2.9
175.11188	4.9
177.01859	3.9
177.05525	2.2
179.03409	4.3
189.01823	5.1
189.05501	2.7
193.12245	21.1
195.02885	3.5
203.03404	8.3
207.02954	3.7
211.13297	100.0
217.04922	5.7
221.04358	2.2
227.03380	2.5
229.14352	20.5
237.02818	2.3
245.04413	3.7
268.07291	3.8
273.03992	2.3
283.05914	2.3
291.06680	2.6
292.07288	2.8
293.08139	3.9
294.05167	5.9
295.06079	31.0
296.06763	3.7
297.07620	6.8
305.08124	3.8
306.08917	3.2
307.05957	13.2
308.06760	3.4
309.07629	7.1
320.06781	7.9
321.07559	15.6
325.07065	37.8
329.08026	3.1
333.07547	8.3
334.08267	4.6
335.09122	20.0
337.07196	15.3
339.08594	9.3
345.07452	10.4
349.07059	16.9
351.08670	5.2
363.08630	32.2
373.07098	7.9
391.03049	4.1
391.08136	74.9
409.09256	63.8
409.18192	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	408.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17374	0.8
54.54256	0.7
55.01872	8.3
56.05034	1.1
58.99582	5.0
61.01157	1.2
69.07074	37.5
70.06594	2.1
71.39494	1.9
72.04514	3.5
73.01143	1.2
73.02922	1.0
76.02236	2.7
83.06095	1.6
84.04507	17.3
85.01127	1.7
85.02866	0.9
85.06496	0.9
86.09692	1.8
86.99053	6.1
87.08105	1.2
88.02216	2.9
90.05549	3.4
93.07051	1.4
98.97641	1.3
99.15979	1.0
103.02187	0.9
104.01705	15.5
105.00136	0.9
115.05807	1.4
116.01685	31.6
119.05224	1.0
123.04446	3.6
126.05511	5.1
127.05747	1.5
129.06598	4.1
130.05028	3.5
139.03839	1.1
141.06587	1.2
142.03195	1.6
144.06561	3.8
145.02858	1.6
145.06834	26.8
147.04338	1.7
158.02725	100.0
162.09479	2.9
163.36681	0.9
167.07033	5.6
173.06178	1.2
175.05328	0.9
176.03781	57.7
177.05621	1.0
211.09651	2.1
233.51102	1.0
244.09999	2.8
245.04507	2.4
257.04468	2.7
261.10791	1.2
262.11108	55.2
263.11551	1.4
273.27597	1.0
278.90262	0.9
279.13760	25.7
287.05432	3.2
319.13217	10.0
408.17816	2.6
408.23373	1.0
409.09131	5.3
409.14398	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03266	0.8
55.05518	1.6
57.03441	5.2
57.07075	6.6
65.03929	5.3
67.05503	2.9
69.07068	2.0
71.08636	4.4
79.05502	1.2
81.07082	5.1
83.08629	2.3
85.10162	1.7
89.06030	1.0
93.03414	5.2
93.62815	0.8
95.08624	6.3
97.10195	1.8
104.14265	0.8
107.08641	1.5
109.10149	3.1
113.00030	100.0
120.20319	0.7
121.06533	1.0
123.11701	1.0
137.13252	0.9
149.02341	1.2
151.01476	1.0
161.02466	1.4
167.03384	2.2
169.02632	97.2
179.01837	1.3
179.03419	26.5
217.08647	8.8
235.09637	6.5
239.23615	1.0
250.41318	0.9
262.51440	0.9
283.09891	1.0
295.09802	4.2
298.05984	0.8
312.98734	0.8
316.26852	0.7
342.39206	0.8
351.15964	5.2
407.22064	2.0
407.29263	0.9
413.04266	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
55.05516	17.9
57.07071	20.5
65.03954	1.7
66.50887	1.6
66.52428	1.6
67.05511	10.5
69.03386	1.8
69.07075	28.5
70.15204	1.5
71.08632	12.9
71.54890	2.8
79.05500	5.0
81.07069	28.5
83.08622	21.2
85.10188	6.8
89.06031	3.1
91.05471	3.6
93.03387	3.0
93.07042	7.4
95.08614	24.5
97.10179	13.4
98.67123	1.6
99.04461	80.9
105.07039	9.9
107.08611	7.5
109.06538	6.8
109.10155	13.9
111.11744	6.8
112.03016	2.1
113.05998	2.8
119.08594	9.4
119.09373	1.6
121.06568	2.9
121.10151	5.2
123.08049	4.0
123.11710	9.4
125.06003	100.0
125.09712	1.9
125.13230	2.6
126.06331	1.9
131.08582	3.6
133.08626	2.5
133.10114	8.4
135.08064	4.4
135.11719	3.1
137.05994	10.6
137.09593	2.9
137.13287	3.2
139.07545	2.6
141.05466	1.7
143.08617	2.0
145.10118	4.0
147.11690	5.3
149.02338	2.1
149.13306	2.3
151.07549	3.9
151.11197	3.5
157.10176	1.7
157.34245	2.3
159.11723	2.8
161.09648	3.7
161.13275	2.3
163.11215	3.6
163.14830	2.8
165.09169	4.2
165.12798	2.9
165.16524	2.2
167.03482	1.9
173.13332	2.1
175.11218	7.1
175.14894	2.1
177.12828	2.2
179.03413	18.0
179.10692	2.9
179.14401	2.2
181.12085	2.2
187.14908	2.0
189.12791	2.8
189.16446	1.8
191.14288	2.2
193.12250	7.7
207.13850	3.8
217.08626	5.5
224.38702	1.8
235.09703	6.1
264.63403	1.7
295.09668	3.6
317.28287	2.8
347.33130	3.1
351.15906	2.4
361.34622	2.3
365.34344	5.0
371.33148	12.2
389.34177	79.7
397.18509	2.2
407.21906	2.2
407.26770	1.8
407.35315	19.3
420.60287	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2221
Annotation	Prostratol E
Peak:m/z	Relative Intensity
55.01867	0.9
60.64350	0.3
61.74928	0.3
65.03934	1.3
67.05489	0.9
68.99787	1.1
69.07069	3.4
69.80775	1.6
79.05473	0.4
81.07067	2.0
91.05492	0.8
95.04970	1.3
95.08617	1.0
103.05448	0.9
105.03375	0.5
105.07037	1.0
107.04966	0.4
108.02098	3.3
109.10154	0.5
111.04463	0.9
121.02905	0.7
121.03949	0.7
121.06538	1.0
123.04417	1.4
123.11686	0.4
124.05170	0.4
131.04955	2.9
133.06462	1.8
136.01544	0.9
137.02353	1.5
137.05983	2.0
141.07031	0.3
147.04401	0.6
147.08084	2.4
149.02379	0.5
151.03917	100.0
152.04240	0.9
154.02663	0.8
157.06540	1.1
159.04442	3.2
161.05988	0.7
167.08534	0.6
171.08116	0.3
177.05507	1.3
179.08609	0.4
185.09622	0.7
186.67065	0.3
189.05495	0.5
195.07982	1.5
196.08870	0.6
197.06062	0.7
198.06769	0.5
199.07584	0.4
204.39517	0.3
209.09712	0.6
212.08290	1.0
213.09061	0.6
222.06761	0.6
223.07623	0.9
224.08368	1.1
225.05362	0.4
226.06209	0.4
227.07077	0.5
227.10623	1.7
229.08627	0.4
230.80409	0.4
237.09178	0.8
239.07072	0.5
239.35675	0.3
240.07822	1.0
241.08582	1.4
249.82188	0.3
251.07004	1.6
252.07831	0.4
255.10187	4.1
265.08725	1.2
268.07343	1.0
269.08124	0.7
270.08902	0.4
283.09674	29.6
284.10101	0.8
297.11298	0.8
339.15985	2.6
351.12225	0.9
351.16180	1.0
374.07602	0.3
407.22229	41.3
408.22360	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.222
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02359	0.4
65.03946	17.9
67.01830	0.4
67.05464	0.7
69.07079	4.1
77.03876	0.5
79.05446	1.0
81.07010	1.0
83.04935	0.6
86.13901	0.3
89.05994	1.0
91.05459	0.9
93.03416	12.3
93.07031	0.5
95.04954	0.5
95.08583	0.7
103.05490	0.4
103.87901	0.4
105.07019	0.5
107.04950	0.4
107.08566	0.7
109.10136	0.7
119.04929	0.7
119.08575	0.7
121.06512	4.4
125.05990	0.5
131.08578	0.5
133.06468	1.0
133.08647	0.5
135.11685	0.4
142.45825	0.4
147.04469	0.5
147.08008	0.5
149.02385	2.7
151.03966	0.4
153.01839	8.5
157.10185	0.4
161.02339	9.5
161.04677	0.4
161.05930	2.5
165.01799	0.5
167.03391	2.3
171.08057	0.5
173.09569	0.6
175.03851	0.5
177.05438	1.0
179.03404	100.0
180.03706	1.2
181.03973	0.4
182.07437	0.4
184.26797	0.4
185.09674	0.4
187.11079	0.4
189.95506	0.4
193.04968	0.5
195.08037	0.8
197.09633	0.7
199.11137	0.9
209.09575	0.5
213.09117	1.6
217.08621	31.0
218.08969	0.8
225.09204	0.7
229.30814	0.5
231.06578	0.4
235.09663	22.3
253.08685	0.8
269.08087	0.5
273.14954	1.1
281.08228	0.5
281.15427	0.6
282.08862	0.6
283.06503	0.4
283.09796	1.3
291.10379	0.4
295.09677	15.2
296.10098	0.7
318.09076	0.5
333.11166	4.9
333.14417	0.5
338.15295	0.8
339.12399	1.6
339.16187	1.3
351.12250	3.4
351.16122	13.0
352.16458	0.6
407.22491	11.9
408.22772	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2219
Annotation	Lakoochin A
Peak:m/z	Relative Intensity
53.00302	0.6
57.82537	0.3
65.03947	20.0
69.25407	2.7
69.25816	0.5
73.40828	0.4
77.03908	0.4
93.03416	15.4
98.20773	0.6
105.03394	1.1
107.01289	0.4
111.42709	0.3
114.55811	0.3
121.06509	1.2
130.46165	0.3
133.02916	0.4
147.08012	0.7
161.02338	21.6
162.02710	0.4
177.05441	0.6
179.03407	100.0
180.03775	1.8
193.05023	0.5
199.07454	0.5
209.12268	0.3
217.08615	56.1
218.09010	1.2
235.09668	24.0
236.10072	0.4
273.14874	3.9
295.09683	23.5
296.10104	1.0
343.43561	0.4
351.15936	32.0
352.16257	1.4
407.22198	12.9
408.22635	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2219
Annotation	Lakoochin A
Peak:m/z	Relative Intensity
55.05509	1.0
60.96812	0.6
61.64858	0.6
65.03941	15.5
67.05492	0.9
69.07063	1.4
69.77211	3.2
79.05481	0.7
81.07079	1.3
83.04978	0.7
85.10173	0.7
89.06049	0.7
93.03416	11.1
93.07029	0.8
95.08631	1.1
95.24370	0.8
98.21514	0.6
105.03394	0.8
105.07016	1.0
109.10178	1.0
121.06551	1.2
121.10143	0.7
125.06014	6.1
147.04391	1.1
149.02364	2.4
159.04341	0.8
161.02324	7.4
165.01921	0.6
167.03394	2.6
179.03403	100.0
180.03766	0.9
193.04965	0.8
217.08617	28.3
219.06537	0.9
235.09682	27.6
240.11481	0.7
269.08215	0.8
273.14923	2.4
285.39117	0.6
287.12869	0.9
295.09668	15.6
309.15271	0.7
351.11777	1.2
351.15930	20.3
407.22418	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	407.2219
Annotation	Lakoochin A
Peak:m/z	Relative Intensity
65.03938	4.1
67.05508	1.3
69.07071	35.4
69.83481	1.0
70.94349	1.6
70.94678	1.1
71.05002	1.4
81.07059	1.2
93.03395	3.2
95.04967	4.1
101.96494	1.0
103.05489	1.8
104.14139	1.0
109.06571	1.0
112.99994	2.1
115.05464	1.5
119.53394	0.9
121.02886	2.3
121.06518	2.3
131.01305	3.5
131.04924	2.9
135.08073	3.3
137.05984	6.5
143.04913	1.2
145.06506	0.9
147.04405	2.2
149.02348	100.0
150.02742	1.1
151.03906	64.8
157.06482	2.6
159.04460	7.5
161.05998	4.2
163.03918	2.3
167.03410	62.7
168.03770	1.2
169.02638	2.2
169.05000	1.3
171.04410	1.3
173.06004	1.3
177.05487	5.3
178.07809	1.5
179.08595	3.4
181.06442	1.8
185.05899	1.2
185.09546	1.9
189.07022	1.3
194.07225	1.1
195.08118	2.0
196.08749	1.4
199.07562	5.5
199.09171	0.8
199.11237	1.8
201.12781	2.2
202.23183	0.9
205.06380	1.5
206.07237	2.1
207.08025	2.9
209.09601	2.4
211.07515	0.9
212.08437	1.2
213.09137	1.6
215.10675	6.6
221.09570	1.1
222.06795	1.8
223.07568	6.3
224.08366	2.9
225.09094	1.4
227.10695	5.7
229.08641	1.3
234.06773	2.4
235.07556	4.1
236.08446	1.3
237.09151	1.5
239.10654	3.5
241.08664	3.8
249.09190	4.1
250.06296	1.3
251.07051	8.3
252.07893	1.2
252.95682	1.1
253.08646	6.4
255.10175	1.5
262.06061	1.0
263.07114	1.1
265.08627	9.2
267.10199	6.1
271.09573	2.0
273.14951	3.2
277.08682	4.9
278.09482	1.0
280.07294	1.3
283.09674	72.6
291.13779	2.5
295.09637	16.2
295.12775	1.2
297.11060	2.3
309.14792	1.6
319.13309	3.4
333.15009	8.0
339.15948	27.8
351.15900	61.4
352.16278	1.8
404.69797	1.0
407.22217	39.3
408.22586	1.9
418.16949	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64495	0.6
55.05508	1.3
57.07063	1.7
61.44206	0.6
65.03948	14.9
67.05501	1.8
69.07073	3.7
71.08634	1.0
71.55893	1.0
76.26012	0.6
79.01862	0.6
79.05489	0.7
81.07072	3.9
83.04969	0.7
83.08608	1.6
84.77802	0.5
86.68735	0.6
87.98701	0.5
89.06028	1.3
91.05488	0.9
93.03414	12.6
93.07054	2.1
95.08610	3.1
97.10184	1.4
99.04474	3.5
105.03437	0.9
105.04407	0.6
105.07035	1.4
107.08601	1.3
109.10148	1.8
119.08575	1.8
121.06527	0.9
121.10142	1.3
123.11749	1.0
125.06003	5.1
131.08614	0.8
133.08629	0.7
133.10120	1.8
135.11719	0.9
145.10114	0.8
147.11636	0.7
159.11746	1.5
161.02313	6.5
161.13365	1.0
171.34244	0.6
173.13263	1.1
175.11012	0.7
175.14813	0.8
179.03410	100.0
180.03793	1.1
193.05043	0.7
217.08632	27.4
218.08873	0.7
234.08409	1.1
235.09688	27.3
236.10022	0.6
273.14810	2.0
295.09662	13.6
295.12833	1.1
351.15915	20.6
352.16217	1.2
371.33478	0.6
389.34174	5.3
407.22128	12.2
407.36710	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	407.1857
Annotation	Lespedezol E1
Peak:m/z	Relative Intensity
56.96555	0.5
62.95899	0.2
65.03916	0.9
67.05469	0.3
69.07053	0.8
69.50184	1.9
79.05469	0.4
93.03401	0.4
95.04971	0.3
105.03414	1.5
107.04942	0.7
107.08604	0.3
121.02879	10.0
128.06250	0.3
131.04834	0.3
133.02856	2.4
137.02376	0.4
143.08565	0.4
149.02359	4.2
153.06985	0.9
157.06557	0.4
161.02345	1.7
163.03952	0.4
165.01804	0.3
165.07019	0.4
167.03444	1.7
171.08038	0.7
173.06006	1.0
179.03398	0.6
181.06499	1.9
185.06046	0.3
185.85771	0.3
199.07584	0.8
207.02888	0.5
209.05942	1.1
227.07030	1.8
235.87500	0.3
255.06583	3.7
256.07263	0.7
283.06036	100.0
284.06567	4.1
285.07428	0.3
295.06131	2.1
297.07721	0.4
309.07492	0.8
319.09695	0.4
321.11124	0.6
323.09125	0.7
339.12375	0.8
407.18564	50.0
408.18707	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	0.6
55.01887	0.9
55.05532	0.6
62.86757	0.5
65.03951	3.8
67.05524	1.9
71.06605	0.8
79.05512	2.5
81.07065	5.8
85.02931	0.5
91.05510	2.8
93.03391	2.9
93.07059	1.2
95.01383	1.5
95.08614	0.9
103.05432	0.6
105.03423	0.7
105.07036	2.4
107.04984	0.9
107.08622	1.4
109.10193	3.2
119.04966	4.3
119.08582	0.7
121.02843	3.4
121.06538	1.9
121.10166	1.9
123.04454	1.2
129.06960	1.1
131.01283	5.2
131.04956	1.0
133.02895	1.2
133.06454	0.6
133.10136	1.4
145.10085	0.6
147.04428	11.8
147.08052	0.7
147.11682	0.5
149.02356	100.0
150.02696	0.8
151.03906	1.4
159.77597	0.5
161.02325	0.9
161.05989	0.7
163.03914	4.8
167.03412	72.8
175.03955	2.2
175.07555	0.9
177.01788	0.8
177.05455	6.4
179.01825	1.0
179.03406	18.1
187.03947	3.2
189.05444	5.4
203.07120	1.7
205.04980	9.1
213.05461	2.5
214.86769	0.5
219.06656	0.6
227.07095	2.7
231.06544	20.6
231.08875	1.0
241.08592	0.9
245.07872	9.3
245.11624	0.6
269.08115	47.8
269.11557	4.6
270.08203	1.0
281.07913	1.3
283.09692	0.7
287.12759	6.2
295.09656	1.2
297.07376	1.6
297.11069	1.1
299.09137	9.4
307.09650	7.8
309.11081	0.6
325.10742	12.8
347.12527	0.7
349.12888	0.5
351.12158	1.7
389.17514	5.3
407.12848	3.0
407.18359	4.5
407.23724	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00322	1.1
53.03947	1.5
55.01874	1.0
55.05505	1.4
56.96576	0.8
57.03423	0.6
63.35377	0.6
64.62808	0.5
65.03942	4.4
67.05502	3.0
69.03446	1.3
69.07072	1.5
69.86686	2.5
74.50342	0.5
79.05499	3.9
81.03429	1.0
81.07060	7.8
83.08617	1.0
85.02907	3.1
86.03247	0.7
87.00823	0.6
91.05496	4.0
93.03407	3.5
93.07047	2.3
95.01357	1.1
95.04971	1.3
95.08602	1.9
97.02895	1.2
97.06515	0.5
98.97601	1.0
103.05486	0.5
105.01866	1.4
105.03372	1.1
105.07064	3.1
107.04971	1.7
107.08606	2.6
109.02863	1.1
109.06538	1.1
109.10154	3.0
111.04426	1.1
116.98575	0.6
117.07052	0.8
119.04951	5.3
119.08567	1.4
121.02876	4.3
121.06518	2.0
121.10145	2.3
123.04440	1.5
123.08092	0.5
123.11746	1.0
127.03907	1.6
128.04262	0.7
128.06210	1.0
129.06958	0.9
131.01292	5.4
131.04959	0.6
131.08617	1.3
133.02837	1.3
133.10123	1.8
135.11667	0.7
143.06096	0.6
143.08542	0.7
145.10048	0.6
147.04428	14.9
147.08063	1.4
149.02354	87.9
150.02779	0.6
151.03922	1.0
151.07471	0.6
159.11667	0.8
161.02383	0.7
161.06000	1.0
163.03938	4.9
167.03416	100.0
168.03754	1.0
169.10202	0.6
175.03864	2.7
177.01869	0.7
177.05484	7.4
179.03415	18.0
181.01341	0.8
181.04936	0.5
187.03914	2.6
189.05510	5.2
197.05959	0.6
203.07050	2.0
205.05005	11.5
213.05417	2.5
223.05846	0.7
227.07034	4.1
229.08607	0.6
231.06546	19.1
231.09938	0.8
248.74623	0.6
269.08118	46.9
269.11560	3.9
270.08557	0.7
281.08127	2.2
283.09729	0.7
287.12787	7.4
295.09692	1.0
297.07553	1.7
297.11060	1.0
299.09183	7.6
305.13913	2.0
307.09714	7.5
325.10754	14.0
347.12744	1.2
351.12161	1.6
389.17584	6.1
407.18518	5.9
407.25531	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1854
Annotation	Flemiwallichin F
Peak:m/z	Relative Intensity
55.05503	5.5
56.96561	4.7
57.03448	3.6
61.02922	3.8
62.81938	1.9
65.03931	4.2
67.05502	8.9
69.03442	3.6
69.07067	9.7
71.05000	3.2
79.05497	8.6
81.03426	4.6
81.07070	19.1
83.04982	3.3
85.02904	5.5
91.05505	17.9
93.03402	3.0
93.07046	9.2
95.04946	3.9
95.08604	4.6
97.02888	3.6
98.97511	3.3
103.05507	2.6
105.07042	11.9
107.04967	7.1
107.08617	13.1
109.10178	8.2
115.05522	2.8
117.07041	2.3
119.04963	31.1
119.08556	3.7
121.02885	3.6
121.10138	7.2
123.11694	7.6
128.06250	6.0
129.07005	6.2
131.01279	5.9
131.04955	4.6
131.08638	3.7
133.10150	7.3
137.02342	25.7
143.08565	7.8
147.04425	80.4
147.08069	8.5
149.02359	69.4
153.01857	3.2
153.07010	2.7
157.10127	3.2
161.02345	5.9
161.05995	3.7
163.03902	24.8
167.03419	69.0
171.08032	4.7
175.03969	4.1
177.05482	8.0
183.08081	2.6
187.03923	9.5
187.07610	3.1
189.05502	9.2
195.08253	3.0
199.07582	2.8
201.05544	4.6
207.08241	3.6
213.05519	8.3
215.07072	7.8
227.07048	80.8
233.08084	7.7
241.08615	3.8
245.11816	3.0
257.08182	6.3
259.08719	3.0
269.08179	18.7
269.11786	48.1
271.13351	14.6
277.08694	2.8
281.08173	9.4
283.09668	4.5
284.12527	2.9
285.10043	5.0
287.12845	43.4
294.93527	2.6
297.11002	3.2
307.09705	20.2
321.11072	4.3
331.16129	2.7
332.10452	2.5
333.11298	4.7
347.12781	34.1
367.18085	3.8
389.17535	89.3
407.18604	100.0
407.24127	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	407.1855
Annotation	Honyucitrin
Peak:m/z	Relative Intensity
65.03933	3.8
67.05502	0.6
69.03436	1.1
79.05476	0.4
81.07065	1.8
91.05481	2.4
93.03411	2.5
93.07024	0.6
95.01314	0.6
95.08624	0.4
98.21531	0.8
105.07031	0.8
107.08602	1.1
109.06508	2.1
111.04436	0.4
119.04963	4.3
121.02879	3.5
121.06498	1.0
121.10105	0.7
123.08061	0.3
131.01277	4.2
133.10126	0.7
137.02336	0.6
145.06567	0.4
147.04416	28.5
148.04755	0.4
149.02345	100.0
150.02724	0.8
151.11203	2.9
163.03905	1.5
165.01840	0.8
167.03404	56.2
168.03622	0.7
174.01237	0.3
174.54582	0.4
175.03889	0.5
177.01788	1.3
177.05511	0.5
189.05363	0.5
191.03500	0.4
191.06941	0.4
199.07358	0.4
203.07076	0.5
217.08546	0.4
219.06511	12.3
219.08582	0.7
227.07048	0.7
229.10640	0.4
237.07559	0.5
251.22882	0.4
269.08096	40.4
269.11389	1.5
270.08347	0.5
283.06018	1.4
287.12793	10.0
305.13770	1.5
389.17508	1.4
407.18518	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	407.1857
Annotation	Honyucitrin
Peak:m/z	Relative Intensity
50.99037	0.7
51.90854	0.7
55.01879	1.0
55.05526	1.1
57.03428	0.7
57.76247	0.7
65.03947	4.3
67.05504	2.2
68.99811	1.2
69.03442	1.8
69.07069	1.3
69.81339	4.6
76.85969	0.8
79.05493	1.9
81.03426	3.0
81.07049	2.5
83.05005	0.9
85.02909	1.1
91.05485	3.5
93.03418	2.6
93.07034	1.8
95.04994	0.9
95.08631	1.2
97.06509	1.7
98.20824	1.0
105.07026	2.2
107.04948	1.5
107.08611	2.5
109.10168	2.4
118.61935	0.7
119.04936	5.3
121.02869	4.3
121.06514	2.0
121.10155	1.2
123.04408	1.2
123.11721	0.8
125.09586	1.0
131.01294	6.4
133.06541	1.0
133.10164	1.9
137.02344	63.2
146.82260	0.8
147.04413	14.3
149.02350	100.0
151.11198	0.8
153.07007	0.7
159.04449	2.2
159.08014	0.8
161.02422	1.3
163.03941	6.9
167.03409	86.3
169.06554	1.4
171.08005	1.5
173.05984	1.3
177.05432	1.1
181.06491	1.1
185.05904	1.6
187.03957	1.8
189.05458	3.6
191.07021	2.1
195.08096	1.3
199.07628	4.7
213.05438	1.3
213.09076	1.4
215.07040	12.4
223.07498	2.2
227.07042	6.8
229.08546	0.9
251.07094	2.8
257.08221	1.2
267.09103	1.1
269.08115	50.0
269.11621	4.1
281.07922	2.0
283.09735	2.6
287.12772	5.4
305.13760	1.1
307.09686	1.9
309.11279	2.9
311.12802	3.0
335.12881	1.9
347.12653	1.3
349.14279	1.2
351.12228	1.6
389.17404	5.6
407.18512	8.8
407.24066	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	407.1858
Annotation	Cycloaltilisin 7
Peak:m/z	Relative Intensity
53.03956	1.4
55.01873	5.0
65.03939	4.5
67.01875	4.1
67.05496	5.4
68.99795	5.8
69.03433	1.6
69.07072	6.7
70.26241	2.9
70.26608	2.8
71.01344	1.4
79.05518	6.1
81.03408	1.5
81.07067	15.6
88.53921	1.3
91.05482	11.1
93.03411	1.8
93.07058	4.9
95.04965	2.4
95.08605	5.4
100.36060	1.3
103.05471	5.9
105.03396	3.5
105.07029	3.9
106.86762	1.2
107.04964	6.9
107.08622	4.2
109.10172	15.6
111.00838	2.3
115.05443	3.6
117.07038	5.8
119.04943	6.8
119.08578	1.6
121.06487	1.4
121.10181	3.4
123.01861	1.2
123.04433	2.1
123.11727	19.2
125.02341	1.7
127.40487	1.3
128.06213	10.9
129.07011	12.8
131.01285	1.3
131.04967	7.0
131.08565	1.4
133.06517	11.6
135.11676	2.5
137.02377	1.3
139.03917	2.2
141.07013	2.1
143.04909	2.4
143.08572	1.4
145.06482	7.0
147.04424	18.3
147.08063	2.6
149.02359	27.5
153.01846	100.0
155.06110	2.1
155.08672	1.4
157.06537	11.2
159.04433	2.9
159.08035	2.7
161.02370	3.0
161.06061	1.7
163.03934	1.4
163.07567	2.1
165.01834	1.7
165.07057	3.9
167.03419	17.9
167.04758	2.3
169.06502	5.1
171.02901	6.5
171.04282	2.9
171.08116	3.3
173.06015	14.3
175.04112	1.7
175.07654	2.6
177.05412	3.2
179.03415	22.3
181.06491	2.9
181.08641	2.8
185.06010	10.6
187.07565	4.3
189.05551	1.5
193.06618	2.9
195.04474	5.7
197.06052	8.4
199.07561	3.9
199.11281	2.4
201.05490	8.6
203.07039	5.3
205.04797	2.4
211.07587	3.0
213.05426	10.3
215.07066	5.4
217.08644	5.7
221.06018	9.3
221.08105	3.2
225.05522	3.4
227.07156	3.0
231.06525	21.8
233.08154	2.9
239.07008	3.4
243.06548	3.9
249.05455	1.8
249.07634	12.3
255.17450	2.4
267.06549	44.7
269.08521	7.5
269.11749	12.7
281.08139	2.2
285.07605	18.3
287.09760	2.2
287.12772	11.3
297.07843	2.0
299.09155	2.2
305.13858	3.9
307.09778	2.5
325.10703	4.1
333.11182	9.0
347.12851	1.7
351.12280	24.1
389.17487	8.5
407.18573	38.8
407.23590	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1858
Annotation	Honyucitrin
Peak:m/z	Relative Intensity
55.05503	1.9
56.96563	1.4
57.54039	0.6
58.24045	0.6
65.03934	1.4
67.05172	1.1
67.05508	14.1
69.07067	4.5
71.04983	2.6
71.36872	1.1
77.03937	0.8
79.05497	1.4
81.07066	6.1
83.08625	0.9
85.02911	1.2
91.05480	5.7
93.07043	1.7
93.53795	0.6
95.04951	0.6
95.08604	2.1
97.02913	0.9
105.03385	2.4
105.07027	2.4
107.04947	0.9
107.08611	2.5
109.10165	50.4
119.04947	12.6
119.08569	0.7
121.02876	1.3
121.10154	1.6
123.04401	1.3
127.11191	3.0
128.06247	1.2
129.07005	1.1
131.04929	1.2
133.02887	3.8
133.10124	2.5
135.04471	1.4
137.02338	2.1
147.04416	50.1
148.04829	0.7
149.02380	5.8
149.09573	0.6
159.04517	1.0
161.02354	23.8
162.02675	0.8
163.03906	2.7
167.03412	6.9
173.02380	3.6
179.03412	5.1
187.03943	4.6
191.03419	3.1
205.05002	1.6
207.08122	1.3
213.05557	3.4
227.07082	4.8
231.06702	0.7
235.07550	2.0
241.08594	1.1
258.87277	0.7
263.07040	18.2
267.08966	1.1
269.08218	2.6
269.11761	9.8
281.08105	100.0
282.08557	2.0
285.10162	2.1
286.10236	0.7
287.12720	0.7
293.08102	1.5
293.11954	0.7
305.14063	0.9
307.09497	0.8
333.11261	1.5
347.12537	1.6
389.17496	16.2
407.18698	9.2
407.24142	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1855
Annotation	Flemingin D
Peak:m/z	Relative Intensity
51.03145	1.4
55.05512	2.2
65.03930	3.8
67.05499	4.1
69.07048	6.3
69.87547	8.3
79.05499	4.1
81.03430	2.2
81.07068	14.1
91.05479	10.0
93.07075	2.9
95.04936	2.0
95.08593	3.3
105.07053	4.5
107.04942	2.7
107.08582	6.1
109.06501	2.9
109.10139	6.0
119.04959	26.1
121.02852	2.1
121.10129	3.4
123.11691	12.2
131.01263	3.0
133.10152	2.2
137.01352	2.4
137.02364	28.2
143.08592	2.2
147.04425	71.0
147.08011	3.2
149.02359	91.7
151.11226	2.4
153.07022	2.1
161.02353	13.3
163.03897	17.7
165.01836	4.6
167.03433	45.1
175.03926	7.0
177.05449	6.5
181.01324	3.2
187.03925	5.5
189.05519	3.8
191.07005	2.6
201.05444	2.9
213.05594	2.0
217.08636	2.2
227.07062	31.3
229.08611	4.7
241.08522	3.7
243.10225	3.0
245.11740	3.5
257.08115	19.3
259.13312	3.1
269.08102	13.6
269.11765	30.3
281.08063	17.7
287.12796	100.0
293.08078	1.9
307.09714	15.3
321.11240	5.5
324.65622	1.7
333.11383	2.8
345.11081	2.8
347.12921	16.0
349.14297	2.4
379.18985	3.6
389.17493	61.3
390.17865	2.2
407.18542	64.9
408.18933	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1857
Annotation	CHEBI:68375
Peak:m/z	Relative Intensity
57.07069	0.9
60.87425	0.3
65.03936	0.9
67.05495	0.8
68.13963	0.3
68.99791	2.6
69.07064	0.9
69.30464	2.5
71.08616	0.4
71.15265	0.3
79.05492	2.9
81.07065	8.2
83.04970	0.3
85.10197	0.4
87.09525	0.3
89.06019	0.9
91.05482	1.6
93.07030	1.1
93.67046	0.3
95.04998	0.4
95.08607	1.7
103.05467	0.8
105.07028	2.3
107.04971	1.3
107.08582	0.8
109.06528	9.3
109.07266	0.7
109.10168	0.5
111.00756	0.4
115.05477	0.7
117.06978	1.2
119.04937	0.4
119.08580	0.7
121.02874	1.2
121.06509	1.2
123.04411	0.5
123.08081	2.1
131.04919	0.6
131.08548	0.4
133.06476	0.8
133.08585	0.4
135.04420	1.5
135.08023	0.5
137.02351	1.3
139.00255	0.4
143.08560	0.3
145.06494	2.6
145.10190	0.4
147.04387	1.0
147.11650	0.3
148.05229	0.3
149.02362	7.3
149.05930	1.6
151.03944	0.4
151.07541	1.5
153.01872	0.9
153.05479	0.6
157.06508	0.5
159.04391	1.5
163.03902	0.5
163.07556	1.1
165.01869	3.5
167.03426	6.8
167.45531	0.3
173.05994	1.6
173.09622	0.5
175.03946	0.5
175.07549	0.3
176.04660	1.0
176.23492	0.3
177.01851	11.9
177.05472	5.9
179.03398	2.5
183.02899	1.2
183.04460	0.3
183.59645	0.3
189.05492	0.4
190.02614	0.5
191.03455	1.5
191.07068	1.9
195.06528	3.1
201.05482	3.1
203.03400	0.5
204.04163	1.3
215.10638	0.6
217.04962	0.5
217.08646	0.3
219.06541	100.0
220.06828	1.1
227.07097	0.3
231.06596	0.7
237.07571	4.2
245.08125	1.5
267.06583	0.5
269.08029	0.9
283.05963	0.9
283.09668	1.6
287.12900	0.8
309.11313	0.6
333.11182	1.5
351.12274	6.3
351.16382	0.5
365.17508	0.9
407.18533	23.4
408.19104	0.7
418.52600	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85582	1.5
53.03952	4.1
53.24116	1.9
55.05500	5.4
59.92440	1.7
62.28318	1.8
67.05486	3.3
69.03430	16.4
69.47503	13.2
70.06586	2.6
79.05488	3.5
81.03416	4.4
81.07051	3.1
83.04989	34.9
85.02886	4.4
86.09706	2.0
91.05473	4.0
93.07043	2.3
95.04961	2.2
97.02885	12.3
97.06519	2.9
98.20817	2.4
99.04471	11.4
103.03924	5.2
105.07030	7.7
107.08575	6.3
109.02902	15.0
109.06539	3.2
111.20798	1.5
119.08586	9.1
121.06483	6.0
121.10097	2.0
123.04417	2.5
123.08070	2.2
127.03925	16.1
127.73722	2.0
128.06218	4.9
129.07005	8.5
131.08534	6.5
133.10103	2.8
135.08063	100.0
141.06993	7.9
142.07756	8.0
143.08588	12.2
145.06499	3.7
145.10107	4.2
147.08028	7.0
149.09604	6.7
153.01933	2.1
153.06992	8.2
155.08522	7.1
156.09398	14.9
157.06508	3.8
157.10112	12.3
158.07236	5.5
159.08057	11.6
159.11725	10.5
161.09654	2.3
165.07005	4.7
166.07794	8.3
167.08640	3.8
168.09340	11.5
169.06465	4.9
169.10165	3.3
171.08022	14.4
171.11702	12.7
172.08784	10.1
173.09634	20.5
173.13226	1.8
175.07504	6.6
175.11154	2.1
178.04922	2.0
181.10168	9.4
183.08163	2.6
183.11685	11.3
184.08824	13.1
185.09621	20.3
186.10362	5.1
187.11217	17.6
188.08179	1.9
189.09175	2.7
189.12651	2.7
194.07240	3.1
197.05980	4.0
197.09679	4.3
199.11201	53.4
201.12791	4.7
203.10672	31.8
209.09634	11.3
211.07401	2.4
212.08324	24.1
215.10687	93.7
217.12256	6.9
227.10651	58.0
233.11739	26.3
237.14400	3.6
245.11752	87.7
246.12521	2.6
246.14905	10.7
246.65065	6.0
263.12842	10.7
273.09091	2.0
297.08633	3.8
323.05420	3.4
339.09549	3.3
371.14850	6.5
389.13248	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	406.244
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08751	4.5
61.69454	4.6
62.18919	4.4
63.04154	4.9
67.05505	5.6
69.03445	5.0
69.20403	26.8
69.20844	19.3
70.06583	5.3
71.04994	5.8
79.05488	12.3
81.07066	14.2
81.39296	4.9
83.39970	4.8
85.02927	9.3
88.04022	6.2
91.05481	13.3
93.07033	25.6
95.04989	6.4
95.08613	23.8
97.06554	7.0
98.97555	5.5
99.04453	5.6
105.07032	22.4
107.02715	4.7
107.08618	28.3
109.10149	7.8
119.08578	17.0
121.06485	6.5
121.10138	17.8
123.08057	5.3
123.11725	9.2
125.09647	6.0
131.08569	9.7
133.10132	100.0
135.11688	21.9
145.10161	11.9
147.11673	9.8
149.09584	5.2
151.11197	13.0
158.10873	6.2
161.13167	5.6
163.14748	6.8
173.13292	58.1
176.78395	4.7
181.05052	5.2
191.14310	77.3
204.03641	6.8
209.15411	66.4
227.16457	12.2
285.02377	6.3
317.04684	7.1
322.08023	10.4
357.10870	5.2
378.06866	6.0
389.12885	7.0
406.06091	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	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59388	2.1
55.55698	1.8
56.96582	1.7
57.03421	1.9
59.74578	2.0
67.05495	4.3
68.22366	1.8
69.03430	5.5
69.07066	3.9
69.49810	3.8
69.50210	12.4
70.06616	2.0
71.04973	2.6
79.05489	2.8
81.03420	2.6
81.07075	2.9
85.02912	13.4
91.05490	44.7
92.05789	2.0
93.07049	10.7
95.04993	2.6
95.08613	16.3
97.02910	7.1
97.06532	5.7
98.97591	6.3
105.07035	8.0
107.04913	2.1
107.08585	10.5
109.02891	2.1
109.06539	2.4
109.10153	4.3
110.07167	2.0
110.97573	2.5
111.23692	1.8
119.08576	5.4
121.10163	14.6
123.08084	2.9
125.09615	2.4
131.04843	1.9
131.08598	9.1
133.10136	100.0
135.08052	4.1
135.11699	3.2
139.11119	2.2
143.08630	2.0
145.10147	2.4
147.11717	3.7
149.09592	3.0
149.13261	5.0
151.11200	21.2
154.81732	2.0
156.22781	2.1
158.10915	4.0
163.14815	8.0
173.13292	32.4
175.46823	2.2
191.14331	57.6
209.15387	23.4
219.01787	2.8
237.02863	3.9
264.16370	2.1
305.49503	2.1
323.08163	4.1
389.13385	3.9
406.10126	14.4
407.14993	2.4
418.96017	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	406.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	3.7
57.07082	4.1
67.05503	10.6
69.03445	8.3
69.57532	15.2
69.57947	7.0
71.04983	11.7
72.44784	3.9
79.05493	14.4
81.07053	4.1
85.02899	23.8
85.06548	81.5
91.05459	16.1
93.07027	14.7
97.02869	5.2
98.21484	7.0
98.97582	4.2
105.07014	7.1
107.08583	16.5
111.04436	5.6
119.08601	9.7
121.06487	9.0
121.10107	14.7
124.22169	3.5
125.06046	6.0
127.03886	5.8
129.06984	5.0
131.08577	44.7
137.09654	5.4
145.10121	19.9
147.04482	6.9
147.08057	6.1
149.09630	42.1
153.05466	4.3
155.13933	3.6
159.50653	3.5
163.11195	14.0
163.48132	3.9
165.09044	9.0
167.07057	38.2
167.10692	23.5
173.09642	3.8
184.47632	3.8
189.12782	3.7
191.10675	47.8
209.08197	5.7
209.11742	66.6
227.09146	11.4
227.12790	100.0
407.07837	6.3
425.14655	4.0
430.60876	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	406.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.2
55.01870	8.6
55.05518	2.3
57.03436	5.7
59.76848	1.2
61.02927	4.8
61.46180	1.0
67.05508	4.5
68.99789	2.9
69.03435	34.4
69.07071	1.6
69.13459	1.1
70.08913	5.3
71.04999	7.0
73.02905	6.9
79.05498	3.0
81.03423	22.4
81.07071	9.2
83.01369	1.7
83.04967	1.2
85.02911	100.0
87.00837	40.4
87.04461	1.1
91.03945	3.3
91.05487	1.9
93.07045	3.4
95.08600	2.2
97.02900	28.5
99.04465	14.6
105.01185	2.6
105.01875	50.6
105.02580	2.6
107.08608	1.6
108.04447	3.3
109.02895	25.0
109.10135	2.2
115.03934	1.3
116.74861	1.3
117.01927	1.9
117.06966	1.7
119.08537	1.5
121.10127	1.3
123.11681	1.3
126.05519	1.4
127.03927	57.8
129.01845	4.0
137.05971	1.4
145.04967	30.7
147.02856	1.9
149.02332	4.1
151.07600	1.7
156.75139	1.1
159.02901	13.9
159.11580	1.3
163.03932	1.3
163.11201	1.4
167.03375	4.2
171.02998	1.1
189.04022	4.4
213.04027	2.6
231.04976	14.6
248.07785	1.6
249.06157	2.4
249.14780	2.3
252.63942	1.2
269.07993	1.5
326.85938	1.2
335.14813	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	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	19.9
59.30115	11.2
60.04521	14.5
67.05498	14.1
69.03429	15.0
70.06583	18.3
70.71981	25.6
71.04990	15.8
74.33463	11.0
74.54569	12.5
75.67382	12.2
79.05494	21.2
81.03400	37.1
81.07037	34.2
82.78638	12.9
83.04977	17.7
83.08607	15.7
85.02893	38.2
86.09688	15.3
93.07026	26.1
95.04958	44.2
95.08620	14.9
97.02894	11.5
98.97572	22.7
105.07017	33.6
107.08593	44.7
109.06525	24.1
109.10107	26.5
119.08585	23.0
121.02879	100.0
121.10140	32.2
123.11680	14.5
124.03958	23.8
131.08617	15.6
133.10133	97.2
135.08032	14.8
135.11610	13.4
137.09604	14.1
139.68710	10.9
145.05077	13.0
147.11653	22.5
151.11208	16.1
153.09099	25.4
154.04591	10.4
167.14307	21.3
173.13216	21.1
175.14793	31.4
191.14304	36.5
193.12239	22.6
193.15981	16.6
209.15396	75.6
313.58875	13.1
332.06979	11.0
389.13550	13.9
406.09796	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	406.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03412	1.4
70.17934	3.2
72.32816	0.8
79.05487	1.0
85.02905	4.0
85.06440	0.7
91.05473	1.3
97.02900	1.4
107.04968	3.8
121.06499	2.8
131.08568	1.8
143.72426	0.8
145.04961	1.3
149.05986	3.3
149.09569	1.2
152.04715	0.9
167.07060	100.0
168.07466	1.4
177.05525	6.4
180.08836	1.0
181.08525	1.1
191.10655	1.2
209.08110	22.3
209.11592	4.1
216.81732	0.9
227.09181	32.0
240.51736	1.0
278.25696	0.8
337.57657	0.7
359.50769	0.9
370.32413	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02938	0.7
63.59169	0.7
64.47124	0.6
65.60409	0.8
69.03427	1.5
70.21016	0.8
70.21354	3.2
83.44221	0.7
85.02908	4.3
86.10492	0.6
88.65758	0.6
107.04958	3.2
109.65956	0.7
121.06490	1.5
123.04449	1.4
126.86330	1.0
131.08543	1.4
145.04929	1.1
149.05931	2.6
167.07053	100.0
168.07481	1.7
177.05475	5.7
187.71448	0.8
195.06577	1.1
209.08105	23.4
209.11702	2.2
227.09164	32.8
227.17862	0.7
228.09552	1.0
303.55701	0.8
308.14014	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
63.90617	3.8
67.05504	9.1
69.03440	6.4
69.57463	8.3
69.57861	20.8
71.04985	9.6
74.99721	3.6
79.05482	8.7
85.02892	18.2
85.06561	62.4
91.05466	8.4
93.07063	5.2
97.02901	3.8
98.21545	7.3
105.07009	8.3
107.08595	10.9
111.04441	9.2
119.08578	9.6
120.79626	4.0
121.06509	7.4
121.10137	10.3
131.08572	36.6
145.10114	12.5
149.09634	33.8
163.11142	9.0
165.09184	4.7
167.07030	50.8
167.10670	17.7
191.10678	44.9
209.08075	12.0
209.11737	41.1
225.24532	4.8
227.09128	15.9
227.12779	100.0
407.08102	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74780	0.6
55.01869	0.7
55.05476	0.8
65.03915	0.9
67.05489	1.1
69.30402	3.6
79.05476	0.9
81.07044	1.7
83.01328	0.6
89.33572	0.5
90.50487	0.5
91.05492	4.6
93.03417	0.5
93.07040	1.6
95.08555	0.7
96.19973	0.4
103.05442	0.5
105.07053	2.4
107.01313	1.2
115.05448	2.5
116.06242	0.9
117.07010	1.4
119.04996	0.7
119.08598	5.6
121.06548	0.6
128.06229	1.1
129.07005	1.6
131.08578	5.0
133.06520	4.5
135.59355	0.4
141.07004	3.7
144.05650	0.7
145.06479	0.9
147.08064	1.7
151.03909	0.5
153.01840	0.6
157.06534	0.5
159.04395	0.5
159.08078	4.4
161.04610	0.8
161.05984	13.3
169.06497	10.4
169.07832	1.0
172.05321	0.5
173.06041	2.2
179.03375	2.8
187.03862	0.6
187.07549	3.1
191.03432	0.6
197.04367	0.9
197.06007	11.2
200.04660	0.7
205.08543	0.6
215.07042	100.0
216.07407	1.4
233.08101	27.6
271.13327	5.5
289.14490	1.0
292.28101	0.5
307.13412	0.7
346.32455	0.4
349.14359	45.6
350.14697	1.7
368.58014	0.5
405.20630	19.4
405.24716	0.8
405.37527	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.5
55.05486	1.3
56.05037	1.9
56.96555	1.5
57.03437	9.1
58.99579	5.6
60.04525	2.3
60.45430	0.8
65.03942	1.3
67.05499	2.6
69.03436	1.2
69.07072	1.3
70.06585	3.5
71.06023	1.6
71.06351	1.3
72.04510	2.6
72.08138	3.8
73.08468	0.9
74.06076	2.8
76.02233	21.2
79.05477	1.5
81.07044	2.2
83.04987	1.7
83.06116	2.3
84.04509	20.5
84.08138	11.9
85.02899	2.9
85.06545	8.6
85.30365	0.8
86.00641	1.7
86.09704	1.6
86.99059	1.5
87.02711	1.0
87.05571	1.1
88.02197	1.7
89.00648	1.3
90.05566	8.0
91.05477	2.3
93.07074	1.7
96.08127	2.4
97.02876	1.1
98.97553	2.1
99.02664	6.4
99.05576	0.9
102.05531	0.9
104.01688	3.9
105.07001	0.9
107.04971	1.5
108.08131	1.6
116.01667	8.5
116.05312	1.4
116.07101	2.2
116.98599	1.7
117.03723	43.6
119.04961	1.2
121.06496	0.9
125.04198	3.4
126.05515	15.1
126.66602	0.9
127.03902	1.5
129.06590	3.3
130.05003	4.5
135.04431	0.9
135.08119	0.8
136.06184	0.9
136.07500	1.0
139.03957	0.9
142.03235	2.0
142.06848	12.3
143.05275	5.3
144.06572	15.6
147.04413	2.6
156.10252	2.9
158.02731	21.0
159.07541	0.9
159.11330	2.2
160.07944	9.8
160.11618	1.5
163.03899	0.9
167.07030	4.2
175.05379	1.4
176.03764	6.3
176.78368	0.8
177.05481	1.3
187.05263	1.8
193.06445	10.6
196.09738	1.3
199.09570	2.6
208.09695	1.9
215.04726	1.4
216.06882	1.3
219.13412	1.5
220.13724	2.8
221.61145	0.9
233.05949	2.4
242.08368	1.6
245.04460	2.1
259.11124	100.0
260.09531	2.7
269.02213	0.9
271.10855	1.6
277.12216	3.0
290.09720	0.9
299.10669	1.9
317.11618	7.8
406.16705	2.7
419.48462	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.9
55.15922	2.2
61.02905	3.3
61.44731	2.5
69.03440	17.5
70.06625	2.1
71.55740	3.9
72.08152	3.4
81.03403	6.4
81.07033	3.4
85.02918	16.5
91.05476	12.1
93.07054	6.1
95.04994	2.9
95.08598	4.6
97.02900	6.9
97.06525	3.5
105.07034	8.3
107.04980	2.7
107.08618	3.7
109.02853	3.0
109.06512	17.8
111.08009	2.3
116.06190	2.3
119.08609	11.8
121.06503	14.3
121.10139	5.8
123.08064	4.5
127.03935	6.5
129.07007	2.5
131.08580	23.6
133.10204	3.3
139.03888	2.8
145.10167	4.5
147.08046	15.0
147.11621	4.9
149.09651	3.5
151.07553	100.0
156.09340	4.9
163.03894	2.3
163.11253	6.2
165.12726	3.0
167.06990	3.4
171.11691	10.3
189.12761	43.1
197.16460	3.0
198.56274	2.4
207.13815	82.4
231.13840	3.4
306.01135	3.2
309.11313	3.7
314.16745	2.8
369.19055	14.9
404.08469	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.3
53.03930	0.6
55.01847	0.9
55.02077	0.2
55.05509	0.3
62.70197	0.2
65.03932	0.3
67.05489	0.5
69.03404	0.5
69.07072	1.1
69.57448	0.2
79.01871	1.1
79.05490	2.0
81.03410	0.8
81.07050	0.4
91.05486	12.7
93.06482	0.2
93.07048	2.5
95.01302	0.5
95.04961	0.4
95.08598	0.4
103.05475	1.2
105.03432	0.3
105.07034	1.5
107.01319	1.6
107.04958	2.8
109.02874	0.5
109.06518	0.3
109.24494	0.2
115.05464	3.9
116.06241	3.7
117.07025	2.4
118.04150	0.3
119.04943	1.2
119.08585	6.3
120.71506	0.2
121.06490	0.9
128.06230	6.9
129.07025	3.8
131.04938	1.1
131.08572	12.4
132.05690	0.6
133.02811	0.3
133.06508	2.9
135.04391	0.9
140.98659	0.2
141.05974	0.3
141.06995	4.3
142.07715	0.2
143.08578	1.1
144.05711	4.6
145.02916	0.2
145.06502	3.2
147.04442	0.4
147.08043	2.9
151.03952	0.4
153.05437	0.7
155.06046	0.5
155.08368	0.2
157.06555	0.3
158.07239	0.2
158.96974	0.2
159.04422	2.5
159.08060	12.4
161.02367	0.6
161.05983	4.2
163.07608	0.2
166.90894	0.2
167.03394	0.2
169.06470	2.7
169.07672	0.6
171.08022	1.1
172.05223	1.5
173.02449	0.2
173.05994	1.9
176.04604	0.2
185.06055	0.2
187.07555	23.7
188.07967	0.5
191.03496	0.4
197.06003	1.3
200.04675	0.7
203.06975	1.4
205.08606	0.9
215.07028	12.9
219.06578	0.3
229.08618	0.4
233.08095	100.0
234.08441	1.7
271.13300	36.3
272.13605	0.6
293.23672	0.3
331.13318	0.5
333.19217	0.3
337.14380	0.6
349.14368	37.8
350.14676	0.8
405.20642	23.1
406.21069	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.6
64.15670	1.9
67.05482	3.0
69.03419	2.6
70.06583	7.1
70.13402	10.2
70.21783	1.9
79.05483	4.6
81.07057	4.8
82.11270	2.0
84.04496	10.0
84.14752	2.8
85.02920	19.4
86.09712	14.2
91.05465	8.8
92.41089	2.2
93.07039	4.6
95.04935	2.9
95.08598	2.4
98.20869	2.8
98.97549	3.7
105.07037	13.8
107.04931	4.8
107.08586	8.4
109.06539	3.8
109.10139	3.3
117.07016	3.9
119.05023	2.2
119.08587	15.2
120.08160	2.5
121.02862	9.6
121.10152	5.8
123.08037	3.5
123.11722	10.8
124.07556	4.0
126.44089	2.0
128.06168	2.6
129.07030	4.2
131.08543	7.2
133.06523	5.9
133.10136	3.9
134.06042	12.7
135.08051	13.7
136.72044	2.0
143.08549	5.7
145.10109	8.1
146.11743	4.4
147.04332	2.3
147.08040	9.7
147.11751	12.9
149.09604	11.1
152.07072	29.4
156.09372	13.0
161.13271	4.7
165.09090	2.7
165.12784	3.1
171.11702	21.8
173.05864	2.3
189.01746	2.6
189.12779	25.9
189.73647	2.4
189.75638	2.3
190.02167	2.7
201.05397	2.7
203.03296	3.2
207.13800	64.9
211.03752	2.4
215.03026	2.7
229.05066	2.7
229.95770	2.2
230.05342	6.3
257.04291	3.1
258.04816	5.0
259.84192	3.0
285.07526	2.5
286.04175	5.3
307.05908	3.3
308.06586	13.3
314.07425	3.1
321.07587	5.4
323.61499	2.6
330.08630	3.1
338.07745	3.1
346.08005	3.1
347.08798	4.5
348.09567	20.1
349.21408	2.5
358.07886	3.7
368.08340	5.2
375.08282	5.9
376.08884	20.9
386.07431	3.0
404.08429	100.0
405.09573	23.8
405.17325	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	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.0
55.39498	2.4
57.03434	2.7
67.16910	2.9
69.03416	2.7
69.07041	2.4
70.27573	8.4
79.05515	3.5
81.07047	7.5
83.04990	7.7
85.02908	18.8
89.95734	2.7
91.05477	5.9
93.07063	2.7
93.11061	2.0
95.08620	4.6
97.06532	7.6
105.07035	9.3
106.88933	2.9
107.08585	12.8
109.06539	14.2
109.10165	3.1
111.08123	5.2
118.81084	2.1
119.08605	9.7
120.21570	2.2
121.10188	14.0
123.08094	4.8
123.11713	18.1
133.10114	3.9
135.08078	3.1
137.09615	28.7
139.03902	3.6
147.11732	13.6
149.09593	3.1
151.11224	2.5
156.09364	2.4
161.13260	5.8
165.12770	100.0
167.07074	6.7
168.21022	2.3
171.11656	3.9
174.10370	2.9
179.14366	6.3
189.12743	16.8
207.13828	50.9
404.16013	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	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.01876	2.3
61.02913	2.7
65.03926	2.5
67.05461	2.3
69.03415	3.1
70.06595	4.4
71.46977	2.3
79.05486	3.1
81.07056	11.7
84.04517	2.0
85.02913	47.2
86.09697	5.1
91.05482	18.1
91.98856	1.8
95.08624	5.7
97.02884	4.0
97.60716	1.7
98.97578	3.2
105.07025	4.8
107.08597	3.7
109.06506	2.4
109.10146	5.5
119.04962	25.3
119.08559	5.6
120.08225	1.7
121.10152	4.4
123.11719	48.3
125.06008	2.5
125.09655	1.8
137.05998	2.3
145.04939	2.7
145.10188	2.6
147.04427	25.7
147.07968	1.9
147.11676	6.4
149.09625	3.9
151.07567	2.2
152.84386	2.2
157.03976	2.7
158.02702	2.4
161.78490	1.7
175.03914	41.4
178.07686	1.9
179.06972	2.8
183.13777	2.0
189.12694	6.2
192.04167	10.2
207.06546	100.0
207.13818	33.9
225.07578	29.3
225.14876	6.2
242.17464	8.9
244.66513	1.8
404.08435	11.1
404.16028	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	404.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25739	1.7
50.70485	1.9
53.03952	1.9
55.01872	2.9
55.05511	9.0
56.96564	3.7
59.05011	3.1
69.03442	4.7
70.06609	4.4
71.55253	2.3
72.08150	3.8
79.05511	6.6
81.07066	7.0
83.05029	2.2
83.08630	3.7
84.04519	4.5
84.08167	2.5
85.02929	16.3
86.09727	9.8
87.00854	3.1
91.05483	14.3
93.07047	5.4
94.06542	2.6
95.04987	3.1
95.08618	5.3
97.02896	2.2
98.97582	3.9
103.05479	2.0
104.01643	2.5
105.07044	22.3
107.08607	14.9
109.06532	5.2
109.10220	3.8
111.08092	2.3
114.05634	2.2
116.01701	2.5
116.98656	2.2
117.07083	3.4
119.04955	2.7
119.08571	20.8
121.10194	10.0
123.08092	4.1
123.11739	7.4
125.09673	2.4
129.10263	3.1
131.08557	12.0
133.10159	6.1
135.08092	20.5
135.11736	4.5
136.07581	3.5
137.09660	2.9
142.05016	3.1
143.08601	11.1
144.12236	2.1
145.10201	5.6
147.04445	3.5
147.08069	17.6
147.11729	16.7
149.09644	9.0
156.09328	19.1
158.02763	9.4
161.09633	2.7
161.13298	5.1
165.09239	3.5
165.12823	3.1
167.07193	2.2
171.11720	34.2
175.04033	3.0
176.03798	3.1
181.06062	3.3
188.08490	2.8
189.12747	29.7
207.06648	6.6
207.13826	100.0
210.11319	8.2
225.07487	3.1
263.80704	2.7
285.56958	2.0
298.15680	2.8
306.08856	2.2
315.13776	6.1
376.08954	3.2
404.08588	7.7
404.18436	6.8
405.17404	7.4
421.13666	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	404.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	5.0
55.01862	6.1
55.05516	5.5
56.81396	2.4
56.96561	5.2
57.03421	4.5
57.48709	2.7
58.03812	2.9
63.07174	2.5
67.05495	6.2
69.03436	16.9
69.07069	3.2
71.04996	11.6
71.06335	7.3
79.05491	11.5
81.03401	6.1
81.07062	44.5
85.02907	28.1
85.06532	6.6
86.09689	9.5
91.05488	18.5
93.07055	33.6
95.04975	5.8
95.08619	8.9
97.02914	25.8
97.06539	10.4
98.06882	2.6
98.97555	4.7
99.04465	47.3
105.07037	52.7
107.04958	5.1
107.08615	18.6
109.02856	3.7
109.06512	7.4
111.08080	22.0
119.05022	4.2
119.08587	11.1
120.08121	5.7
121.02880	3.1
121.06497	5.8
123.08102	3.4
124.09604	2.8
125.05954	2.8
126.05547	3.6
127.03905	5.0
128.06218	4.7
128.98627	2.3
131.04913	4.3
131.08664	3.1
133.06506	6.9
133.10138	85.9
135.04434	3.3
137.05981	13.0
137.09653	3.1
139.03886	28.3
143.00009	2.5
143.08549	11.4
143.13335	2.5
145.04858	3.1
145.10107	5.4
147.04411	5.4
147.08043	4.2
147.11629	3.0
151.03896	9.5
151.11195	6.4
155.10670	2.9
158.99794	3.2
161.09622	98.5
162.09966	4.3
163.03880	7.6
163.11166	12.7
165.12747	3.0
171.08057	3.9
177.05472	5.6
179.10675	49.5
180.08690	3.3
181.05006	6.5
189.05489	5.3
189.09117	30.9
193.08603	15.4
207.10173	25.3
211.09589	3.9
219.10191	4.4
225.11240	100.0
226.11555	4.6
267.05405	5.1
272.07370	28.7
272.57449	6.3
281.07950	2.7
284.06586	12.8
285.06924	11.1
296.06467	4.0
298.07748	3.7
313.07031	3.1
314.07336	16.9
338.07126	6.4
368.08475	17.8
386.09546	8.1
404.10498	19.0
404.14890	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	404.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	5.0
55.01862	6.1
55.05516	5.5
56.81396	2.4
56.96561	5.2
57.03421	4.5
57.48709	2.7
58.03812	2.9
63.07174	2.5
67.05495	6.2
69.03436	16.9
69.07069	3.2
71.04996	11.6
71.06335	7.3
79.05491	11.5
81.03401	6.1
81.07062	44.5
85.02907	28.1
85.06532	6.6
86.09689	9.5
91.05488	18.5
93.07055	33.6
95.04975	5.8
95.08619	8.9
97.02914	25.8
97.06539	10.4
98.06882	2.6
98.97555	4.7
99.04465	47.3
105.07037	52.7
107.04958	5.1
107.08615	18.6
109.02856	3.7
109.06512	7.4
111.08080	22.0
119.05022	4.2
119.08587	11.1
120.08121	5.7
121.02880	3.1
121.06497	5.8
123.08102	3.4
124.09604	2.8
125.05954	2.8
126.05547	3.6
127.03905	5.0
128.06218	4.7
128.98627	2.3
131.04913	4.3
131.08664	3.1
133.06506	6.9
133.10138	85.9
135.04434	3.3
137.05981	13.0
137.09653	3.1
139.03886	28.3
143.00009	2.5
143.08549	11.4
143.13335	2.5
145.04858	3.1
145.10107	5.4
147.04411	5.4
147.08043	4.2
147.11629	3.0
151.03896	9.5
151.11195	6.4
155.10670	2.9
158.99794	3.2
161.09622	98.5
162.09966	4.3
163.03880	7.6
163.11166	12.7
165.12747	3.0
171.08057	3.9
177.05472	5.6
179.10675	49.5
180.08690	3.3
181.05006	6.5
189.05489	5.3
189.09117	30.9
193.08603	15.4
207.10173	25.3
211.09589	3.9
219.10191	4.4
225.11240	100.0
226.11555	4.6
267.05405	5.1
272.07370	28.7
272.57449	6.3
281.07950	2.7
284.06586	12.8
285.06924	11.1
296.06467	4.0
298.07748	3.7
313.07031	3.1
314.07336	16.9
338.07126	6.4
368.08475	17.8
386.09546	8.1
404.10498	19.0
404.14890	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	404.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01872	2.7
55.05507	5.7
56.96568	7.8
62.08795	2.1
63.69511	2.5
67.05491	3.8
69.03431	10.4
70.61631	5.1
71.04966	3.3
73.02895	2.6
79.05512	7.7
81.07068	5.6
85.02897	8.0
91.05480	15.9
93.07044	22.8
95.04971	3.2
95.08589	4.3
97.02919	3.0
97.06538	5.8
98.97607	2.9
99.04483	6.3
100.11268	3.5
105.07038	53.1
105.75168	2.7
107.08588	16.7
109.02881	2.6
109.06551	2.9
119.04935	7.5
119.08568	11.9
119.76708	2.5
121.06553	4.1
123.08062	4.5
126.01309	2.4
127.03909	3.8
133.06485	6.4
133.10141	41.7
135.11691	4.7
137.05992	7.9
139.03902	5.3
140.04301	2.9
143.08536	3.5
145.10121	8.7
147.04417	11.8
151.07515	4.7
161.09645	34.3
163.11197	100.0
179.09117	3.5
179.10692	56.0
182.15385	2.8
189.09109	17.7
207.10204	19.4
210.14865	5.7
215.10825	3.7
224.12936	2.7
225.11206	6.9
236.10001	4.0
238.50330	2.8
243.67714	2.3
245.11700	3.1
284.03891	3.4
289.07565	5.0
290.07800	3.9
307.08188	3.0
337.09573	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	12.9
69.87231	3.1
71.95266	2.7
77.16359	0.6
81.02911	0.6
93.77145	0.8
94.04184	0.9
98.21447	1.3
98.97594	100.0
109.43906	0.7
116.98630	42.6
122.03635	4.2
134.99667	11.1
137.05988	37.9
140.00171	3.9
141.17560	0.6
158.01271	1.7
179.00229	1.4
180.00957	1.1
193.01649	0.8
197.01262	1.8
198.02016	0.9
208.10123	1.3
220.00504	1.6
224.09642	1.7
226.11174	17.1
235.02800	65.5
236.03142	1.1
238.01463	1.8
241.03889	0.8
244.12216	5.8
253.03862	73.9
254.04305	1.2
268.12152	4.2
271.05060	2.8
276.05450	7.8
280.12335	2.2
329.12976	1.1
344.15378	7.0
362.16138	1.4
404.17490	63.0
405.17773	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	404.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56022	3.9
55.05504	6.9
60.49641	2.6
60.81217	2.8
67.05509	9.3
67.62424	3.0
69.03423	12.1
69.07036	2.7
70.09629	9.8
71.04990	18.1
79.05476	11.5
81.07059	45.9
83.04951	5.1
85.02914	14.7
85.06542	5.4
86.09682	3.6
91.05505	19.1
93.07045	37.5
95.04978	3.9
95.08611	11.0
97.02901	24.5
97.06530	8.3
99.04457	44.8
105.06389	6.1
105.07037	65.3
107.04926	3.8
107.08572	21.1
109.06517	7.5
109.10163	11.4
111.08090	24.9
111.37423	3.4
119.04961	7.4
119.08579	11.0
121.06510	11.1
121.10123	5.0
123.11680	4.0
128.06230	4.0
133.06500	8.7
133.10136	94.3
135.11688	11.3
137.05991	15.9
139.03941	8.4
143.08549	18.7
145.10118	9.4
146.07251	6.0
147.08054	4.2
150.38339	3.0
151.07555	4.6
151.11177	8.8
154.86385	3.3
161.09624	100.0
163.11188	18.9
171.08000	4.2
175.14867	4.2
179.10655	49.4
189.09090	35.1
193.15825	5.2
207.10178	24.7
211.16959	10.4
225.11224	95.4
275.42322	2.9
284.58185	3.4
398.93332	3.1
424.61551	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	404.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.5
55.05510	5.8
55.80257	1.2
56.96539	1.6
67.05504	1.4
69.03425	3.5
70.06587	2.8
71.04987	2.1
71.13965	3.3
72.08140	2.6
77.99370	1.1
79.05481	1.9
81.07073	6.8
82.07393	1.5
83.04968	1.4
83.06104	1.3
83.08611	3.4
84.04497	2.8
85.02914	12.7
86.09714	3.7
91.04968	1.8
91.05484	19.5
93.07034	3.2
95.04941	1.7
95.08601	2.8
97.02888	3.4
98.97566	2.4
99.04498	1.2
104.01668	4.0
105.07037	7.9
107.08594	7.4
109.02856	1.6
109.06475	2.0
109.87482	1.2
110.06023	1.5
114.05563	1.7
116.01688	4.8
118.04218	1.7
119.04946	24.3
119.08605	8.4
119.22121	1.1
120.08115	1.6
121.10133	4.1
123.11726	3.3
125.09605	1.4
126.09216	1.2
127.03917	2.9
131.08549	5.4
132.02098	1.4
133.10158	3.0
135.08099	9.0
135.11673	1.8
138.09126	2.6
141.04788	1.7
142.05037	2.0
143.08601	3.0
144.02730	1.3
145.02789	1.4
145.04932	1.5
145.10123	4.2
147.04419	21.2
147.08051	6.1
147.11699	6.3
149.02350	1.6
149.09584	3.7
149.13554	1.2
153.06567	2.6
156.09157	2.6
156.10341	13.6
157.03952	1.9
158.02711	13.5
159.02985	1.8
161.13243	3.2
163.03918	1.5
164.04755	1.6
164.53157	1.4
165.12733	1.3
166.84962	1.3
169.05992	1.4
171.11710	12.6
175.03920	40.3
176.03815	4.7
179.07050	1.7
181.06096	3.5
187.05414	1.7
189.12782	9.4
192.04195	10.9
207.06549	100.0
207.13811	36.8
210.11230	2.2
215.04831	3.5
217.04683	1.1
219.01974	1.7
224.66359	1.3
225.07593	34.7
239.97493	1.2
315.13928	8.4
379.85297	1.6
404.08496	2.4
404.13336	1.7
404.18765	8.7
405.16943	2.1
412.85919	1.2
415.97821	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1531
Annotation	Perphenazine
Peak:m/z	Relative Intensity
56.96558	0.9
59.07146	0.7
69.03413	1.1
69.84891	2.7
70.06593	1.5
82.66228	0.7
85.02908	1.0
85.58694	0.7
91.05464	1.1
91.32283	0.6
97.02901	1.0
98.20757	1.4
98.97590	1.2
102.57050	0.7
110.06042	1.0
117.03390	1.2
119.04961	2.1
123.19470	0.7
124.03938	0.9
127.03888	0.8
135.04443	0.9
136.03970	1.2
145.02878	4.2
147.04424	4.1
153.05318	0.9
163.03937	1.3
177.05556	5.6
224.09099	0.9
228.08629	1.0
242.09996	5.3
267.00113	0.8
287.11014	9.4
333.11554	3.1
404.15326	100.0
405.16113	1.5
408.84732	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.5
55.05510	5.8
55.80257	1.2
56.96539	1.6
67.05504	1.4
69.03425	3.5
70.06587	2.8
71.04987	2.1
71.13965	3.3
72.08140	2.6
77.99370	1.1
79.05481	1.9
81.07073	6.8
82.07393	1.5
83.04968	1.4
83.06104	1.3
83.08611	3.4
84.04497	2.8
85.02914	12.7
86.09714	3.7
91.04968	1.8
91.05484	19.5
93.07034	3.2
95.04941	1.7
95.08601	2.8
97.02888	3.4
98.97566	2.4
99.04498	1.2
104.01668	4.0
105.07037	7.9
107.08594	7.4
109.02856	1.6
109.06475	2.0
109.87482	1.2
110.06023	1.5
114.05563	1.7
116.01688	4.8
118.04218	1.7
119.04946	24.3
119.08605	8.4
119.22121	1.1
120.08115	1.6
121.10133	4.1
123.11726	3.3
125.09605	1.4
126.09216	1.2
127.03917	2.9
131.08549	5.4
132.02098	1.4
133.10158	3.0
135.08099	9.0
135.11673	1.8
138.09126	2.6
141.04788	1.7
142.05037	2.0
143.08601	3.0
144.02730	1.3
145.02789	1.4
145.04932	1.5
145.10123	4.2
147.04419	21.2
147.08051	6.1
147.11699	6.3
149.02350	1.6
149.09584	3.7
149.13554	1.2
153.06567	2.6
156.09157	2.6
156.10341	13.6
157.03952	1.9
158.02711	13.5
159.02985	1.8
161.13243	3.2
163.03918	1.5
164.04755	1.6
164.53157	1.4
165.12733	1.3
166.84962	1.3
169.05992	1.4
171.11710	12.6
175.03920	40.3
176.03815	4.7
179.07050	1.7
181.06096	3.5
187.05414	1.7
189.12782	9.4
192.04195	10.9
207.06549	100.0
207.13811	36.8
210.11230	2.2
215.04831	3.5
217.04683	1.1
219.01974	1.7
224.66359	1.3
225.07593	34.7
239.97493	1.2
315.13928	8.4
379.85297	1.6
404.08496	2.4
404.13336	1.7
404.18765	8.7
405.16943	2.1
412.85919	1.2
415.97821	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53329	1.7
53.70964	1.7
69.84718	6.7
69.85119	3.5
84.08140	2.4
87.55173	1.9
89.03922	12.6
91.05476	3.6
108.93224	1.9
117.03397	31.6
117.38792	2.1
119.04916	4.0
124.03959	12.2
129.28362	2.2
134.03661	2.5
141.36711	2.1
145.02863	58.4
147.04465	6.0
149.06018	9.5
177.05481	100.0
238.09384	2.0
242.10278	3.6
317.08694	2.7
404.16129	2.6
405.13702	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54618	1.0
61.76445	0.9
69.03438	2.3
69.65007	6.2
70.06598	4.8
71.06937	1.2
72.08159	1.9
80.75968	1.1
82.06588	1.1
84.04505	1.3
84.08080	1.1
85.02904	1.4
86.09718	1.7
89.03922	9.6
91.05481	2.8
95.04968	1.2
117.03394	25.5
118.97162	1.2
119.04919	2.2
127.03902	2.1
135.04407	1.6
136.07576	1.1
139.03856	1.5
139.41733	1.0
140.41664	0.9
145.02859	56.2
147.04430	2.2
149.05971	8.2
163.03922	3.7
175.03923	2.9
177.05489	100.0
178.05826	1.2
179.00311	1.2
207.06583	5.8
207.10231	2.9
225.07558	2.4
257.09549	1.8
341.18478	1.4
404.08340	3.4
404.15814	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
57.03444	1.3
68.05050	0.8
69.03435	0.6
69.88058	2.7
70.06618	0.7
71.01355	2.4
72.08778	0.5
73.02917	3.2
80.05029	1.2
85.02917	6.8
89.03947	0.6
95.01336	5.6
97.02917	0.7
98.21272	1.8
99.00826	0.6
101.02407	1.0
108.04495	5.0
110.06042	2.6
113.02386	2.3
117.03366	0.7
125.58756	0.5
126.05515	3.7
131.03416	1.2
136.03952	100.0
137.04337	0.9
141.01834	7.3
145.02859	2.0
154.05005	75.6
155.05336	0.7
158.86664	0.5
159.02919	1.2
173.71945	0.6
177.05460	2.6
210.07663	5.5
228.08687	56.8
242.10091	2.0
277.83600	0.5
312.06967	0.6
366.39450	0.7
404.15515	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42971	0.5
56.96558	0.7
69.03423	0.8
69.07058	1.8
69.88263	1.8
69.88683	0.9
70.06585	1.0
72.08139	0.6
74.06082	0.8
79.05508	0.5
81.07066	0.5
84.04493	0.7
85.02900	1.4
86.09707	2.7
97.02917	0.5
98.20760	0.9
98.97642	1.0
101.00883	0.7
104.93732	0.5
105.07053	0.7
119.01846	0.5
129.01863	0.7
136.39056	0.4
137.06029	0.4
139.03891	0.5
154.28578	0.4
155.55019	0.5
158.02724	0.6
167.06958	1.1
181.04955	1.5
195.70309	0.7
205.12273	0.6
221.08147	0.9
221.49568	0.4
231.06641	0.4
247.06694	0.5
271.11606	0.6
333.07999	2.5
335.09363	2.3
403.15729	100.0
404.16107	1.5
427.09146	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1581
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
51.57396	0.5
56.96555	1.0
69.03433	1.2
69.07072	2.4
69.98486	0.6
69.98769	2.8
70.06598	1.7
72.08158	1.5
74.06071	2.4
79.05487	1.0
81.07062	1.2
83.06114	0.6
84.04498	1.7
85.02907	1.7
86.09720	8.2
91.05481	1.2
97.02937	0.9
98.97597	1.3
107.08548	0.8
119.04958	0.7
121.02871	0.6
123.04432	0.5
129.01909	0.8
129.10294	0.7
135.08099	0.8
139.03932	1.6
147.04440	0.9
151.03909	0.9
155.01941	0.7
158.02716	1.0
161.06049	1.1
163.03973	0.8
167.07072	1.4
176.03770	0.8
181.04955	2.5
201.05524	0.7
207.06555	1.0
221.08249	0.8
275.06458	0.7
282.18085	1.0
333.07980	2.7
335.09528	2.2
403.08438	3.3
403.15714	100.0
404.16235	1.7
427.09256	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.2
55.01870	1.9
55.05519	1.1
57.15899	0.8
60.09197	0.8
65.03938	1.9
67.05502	1.3
69.03432	1.4
69.07050	1.0
69.36745	6.7
70.06566	0.9
79.01853	3.4
79.05495	2.3
81.03418	2.1
81.07058	1.7
83.04996	1.3
85.02900	3.2
91.05482	2.0
93.07054	1.1
95.08634	1.3
97.02918	1.4
97.06532	8.7
98.97562	1.8
105.07039	2.2
107.04952	1.3
109.02879	1.4
109.10169	1.7
111.04455	1.0
119.04940	3.8
121.02016	1.2
121.02882	24.2
123.04462	1.4
124.07632	4.9
125.02357	0.9
126.86672	0.8
131.04944	1.6
131.08517	1.0
133.10139	1.3
137.09633	1.5
139.03909	9.3
145.02867	3.2
145.06392	1.1
147.11626	1.3
153.01823	1.0
153.05507	1.2
155.10620	1.5
155.82867	0.9
163.03932	4.5
165.01886	1.4
167.03375	1.1
167.07030	6.2
175.03986	1.3
177.05545	0.9
179.03436	1.2
181.04994	1.0
187.03952	1.8
189.02007	1.0
191.03473	1.3
193.04996	1.2
197.05928	0.9
201.05446	1.8
203.03365	1.5
205.04973	4.1
207.02997	1.4
211.07513	1.1
213.05476	5.6
227.07066	2.6
228.07956	2.0
229.04967	1.7
230.04529	1.6
230.41245	1.0
231.02785	4.4
235.09708	2.6
239.07088	1.4
243.06622	1.8
247.06119	2.6
249.03984	2.1
251.07249	1.4
255.06525	9.4
256.07361	12.6
265.04999	1.5
268.07263	1.7
270.05087	1.6
271.06052	3.5
271.08960	0.9
279.06573	1.9
283.06039	64.4
284.06808	47.9
284.10046	1.5
285.07477	2.9
295.06024	24.4
297.07608	36.3
298.04767	1.5
305.08060	3.1
307.06091	2.7
308.06909	2.1
309.07510	5.3
311.05475	2.7
311.09204	8.7
313.07074	91.7
314.07425	1.7
321.07648	6.8
323.05533	3.7
324.06424	1.2
325.07040	11.4
327.08603	2.3
337.07114	22.9
337.11111	1.5
339.08633	9.5
343.08231	14.6
349.07092	7.0
355.11935	1.8
367.08151	100.0
368.08530	3.6
385.09192	61.8
386.09360	1.6
403.10281	98.5
404.10593	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1028
Annotation	Isomollupentin
Peak:m/z	Relative Intensity
53.03963	1.2
55.01870	1.9
55.05519	1.1
57.15899	0.8
60.09197	0.8
65.03938	1.9
67.05502	1.3
69.03432	1.4
69.07050	1.0
69.36745	6.7
70.06566	0.9
79.01853	3.4
79.05495	2.3
81.03418	2.1
81.07058	1.7
83.04996	1.3
85.02900	3.2
91.05482	2.0
93.07054	1.1
95.08634	1.3
97.02918	1.4
97.06532	8.7
98.97562	1.8
105.07039	2.2
107.04952	1.3
109.02879	1.4
109.10169	1.7
111.04455	1.0
119.04940	3.8
121.02016	1.2
121.02882	24.2
123.04462	1.4
124.07632	4.9
125.02357	0.9
126.86672	0.8
131.04944	1.6
131.08517	1.0
133.10139	1.3
137.09633	1.5
139.03909	9.3
145.02867	3.2
145.06392	1.1
147.11626	1.3
153.01823	1.0
153.05507	1.2
155.10620	1.5
155.82867	0.9
163.03932	4.5
165.01886	1.4
167.03375	1.1
167.07030	6.2
175.03986	1.3
177.05545	0.9
179.03436	1.2
181.04994	1.0
187.03952	1.8
189.02007	1.0
191.03473	1.3
193.04996	1.2
197.05928	0.9
201.05446	1.8
203.03365	1.5
205.04973	4.1
207.02997	1.4
211.07513	1.1
213.05476	5.6
227.07066	2.6
228.07956	2.0
229.04967	1.7
230.04529	1.6
230.41245	1.0
231.02785	4.4
235.09708	2.6
239.07088	1.4
243.06622	1.8
247.06119	2.6
249.03984	2.1
251.07249	1.4
255.06525	9.4
256.07361	12.6
265.04999	1.5
268.07263	1.7
270.05087	1.6
271.06052	3.5
271.08960	0.9
279.06573	1.9
283.06039	64.4
284.06808	47.9
284.10046	1.5
285.07477	2.9
295.06024	24.4
297.07608	36.3
298.04767	1.5
305.08060	3.1
307.06091	2.7
308.06909	2.1
309.07510	5.3
311.05475	2.7
311.09204	8.7
313.07074	91.7
314.07425	1.7
321.07648	6.8
323.05533	3.7
324.06424	1.2
325.07040	11.4
327.08603	2.3
337.07114	22.9
337.11111	1.5
339.08633	9.5
343.08231	14.6
349.07092	7.0
355.11935	1.8
367.08151	100.0
368.08530	3.6
385.09192	61.8
386.09360	1.6
403.10281	98.5
404.10593	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54839	0.6
54.03478	1.3
55.01892	0.7
58.64632	0.5
62.20958	0.6
68.99802	1.1
70.06599	100.0
71.54818	0.5
77.44849	0.5
81.67123	0.5
83.86797	0.6
84.08157	0.9
86.09696	0.9
88.02223	4.3
89.02561	0.8
90.05555	1.4
91.05478	1.3
93.07045	1.0
102.05637	0.7
107.04971	2.0
110.44184	0.6
118.99238	0.6
121.06487	2.3
131.05035	0.8
135.04396	3.6
139.03918	11.5
147.04437	3.1
149.05995	5.3
163.03923	6.4
177.05487	53.1
178.05891	0.6
181.05002	2.5
187.05391	1.3
188.03835	1.0
195.08595	0.6
205.06406	2.9
206.06837	2.5
234.11224	3.3
265.05536	0.8
327.08673	0.9
345.09790	10.1
402.15491	41.9
403.15872	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.5
57.07088	3.3
69.03419	1.7
69.07068	5.5
70.65754	2.0
71.08627	2.3
79.05501	5.1
80.06260	1.2
81.07062	7.1
83.08636	3.5
85.10178	1.4
91.05436	0.9
95.04955	2.2
97.02854	0.8
97.10177	2.0
107.04943	3.4
108.05746	9.0
109.06538	7.9
110.07305	0.9
121.06506	8.9
123.04442	5.6
124.05169	1.0
131.08604	1.0
135.08080	2.1
136.05203	22.3
137.05988	75.7
138.06773	30.9
149.06046	3.5
149.09615	4.1
150.06779	10.5
151.07565	1.6
159.08061	2.7
162.06772	1.3
163.07541	5.8
177.09117	51.7
178.09477	0.7
191.10703	1.5
192.11412	0.8
253.59129	0.6
402.34958	100.0
403.35373	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	403.1028
Annotation	Isomollupentin
Peak:m/z	Relative Intensity
55.01879	5.2
56.96573	5.4
57.03432	1.5
64.22209	1.3
65.03955	1.9
67.05497	1.8
68.99798	3.1
69.03424	1.7
69.07082	3.0
70.06602	2.3
70.72869	4.2
72.08152	1.3
79.05502	3.3
81.07070	1.9
83.89960	1.3
84.08174	3.3
85.02895	1.7
86.09734	2.4
91.05500	4.4
92.87749	1.6
95.04969	3.7
97.02890	2.1
97.06544	14.9
98.97581	5.4
107.04974	3.7
111.04399	1.9
115.05379	1.5
116.98634	4.3
119.04961	7.0
120.11219	1.4
121.02876	18.4
121.10147	1.5
123.04420	3.7
131.04886	2.4
139.03940	16.2
145.02882	3.5
147.04425	5.9
149.02339	2.2
151.03900	2.4
158.99675	2.4
163.03853	9.0
163.10992	2.2
165.01862	16.7
167.03368	2.5
167.07065	4.5
173.83180	1.4
175.03802	1.9
177.00658	1.9
179.03413	4.1
181.04990	2.1
183.02960	2.5
189.01866	2.0
195.03177	1.6
201.05489	3.9
203.03438	4.3
207.03018	2.8
221.04451	2.3
229.04999	2.9
231.02994	3.0
235.09689	6.5
248.99170	3.9
255.06667	2.1
256.07346	1.9
257.04556	2.2
257.11148	2.2
267.00381	3.1
267.06607	7.9
270.05112	1.7
271.06165	5.8
279.06467	4.8
281.08115	8.0
283.06036	82.3
284.06760	14.8
284.09738	2.4
287.04556	2.1
293.08160	5.2
295.06134	12.9
297.07584	17.9
307.06064	6.1
309.07562	23.7
311.04938	1.9
311.09222	4.9
313.07086	58.5
314.07297	2.3
321.07599	37.3
325.07016	8.1
332.88098	1.4
337.07108	42.4
338.07700	1.9
339.08688	5.1
339.12485	2.0
343.08087	2.2
349.07123	29.3
350.07336	2.9
355.11652	1.9
367.08145	100.0
368.08536	2.9
375.08676	2.6
385.09158	14.8
403.09937	9.9
403.15439	5.5
404.95480	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18015	1.2
51.89863	1.1
55.01880	1.6
55.05521	8.2
55.61944	1.3
57.07070	2.6
67.05524	6.9
68.99804	1.3
69.03438	2.2
69.07074	12.3
69.59024	8.8
75.64942	1.0
79.05503	4.8
81.03438	1.4
81.07065	22.3
83.04987	2.6
83.08618	5.2
86.42242	1.4
87.04478	1.5
91.05491	3.0
91.11470	1.1
93.07059	5.4
95.08614	14.1
97.02907	1.3
97.06539	3.2
97.10188	1.4
105.07055	1.7
107.08599	5.0
109.02894	2.4
109.06523	2.7
109.10155	2.7
111.00791	1.6
111.04464	2.5
113.02366	1.6
113.76435	1.1
121.06499	2.4
121.10161	4.0
123.08052	2.1
124.62583	1.1
126.19036	1.1
127.03970	1.8
131.08508	1.3
135.08075	1.5
135.11742	1.7
137.13284	6.3
139.03949	2.1
139.07619	1.9
145.10094	1.6
149.05815	1.2
151.03934	13.5
153.05447	1.4
165.05446	6.2
190.01350	1.4
205.12360	1.9
205.15919	3.4
221.15541	1.3
223.17023	6.3
265.18008	10.9
277.17807	1.7
291.19659	3.4
319.22693	1.3
345.24274	2.1
368.08432	1.3
401.30569	100.0
402.30969	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	401.3053
Annotation	17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate
Peak:m/z	Relative Intensity
53.03948	0.8
55.01864	1.5
55.05515	8.0
57.07074	2.3
59.67100	0.5
63.70557	0.5
67.05222	0.6
67.05508	6.1
68.99792	1.8
69.03443	3.0
69.07074	13.8
71.08641	1.0
79.05490	4.9
81.03438	0.6
81.07059	15.4
83.01334	1.1
83.04971	2.0
83.08627	5.5
91.05480	2.1
93.07053	6.0
93.32829	0.5
95.01364	0.5
95.05002	1.5
95.08615	14.8
96.18356	0.6
97.02885	1.7
97.06523	3.3
97.10180	2.5
98.20757	0.9
102.28102	0.6
105.07042	3.1
107.04953	1.2
107.08623	4.9
109.02895	2.7
109.06541	2.7
109.10163	3.3
111.00824	1.0
111.04443	1.6
111.08105	1.7
111.11742	1.5
113.02369	1.3
117.07002	0.9
119.08607	2.7
121.06528	2.3
121.10130	4.4
123.04477	1.1
123.08091	2.9
123.11726	0.7
125.02383	1.2
125.05994	2.4
127.03932	1.8
131.08597	1.1
133.06566	0.7
133.10118	1.5
135.04416	1.2
135.08049	1.8
135.11688	1.5
137.05980	0.9
137.09633	2.0
137.13274	7.7
139.03914	2.1
139.07547	2.0
145.10153	1.4
147.08051	1.6
147.11713	1.1
149.05983	2.1
149.09645	0.9
151.03909	14.0
151.07506	1.1
153.05453	1.3
153.09129	1.0
157.10017	0.6
161.09587	0.9
161.13263	1.4
163.07629	1.2
163.14795	2.1
165.05502	3.9
167.10756	0.7
175.11099	0.6
175.14859	0.6
177.05438	1.6
177.09117	1.3
177.12810	0.8
177.16330	0.5
179.14339	0.6
181.08594	0.8
181.12257	0.7
189.76155	0.6
191.07103	0.6
205.08569	0.8
205.12309	1.2
205.15884	2.5
208.10519	0.6
221.15472	1.2
223.13432	1.4
223.16910	7.1
231.17450	1.2
245.18941	0.8
259.16980	1.1
265.18036	5.7
277.18024	2.8
291.19550	5.7
303.19586	1.0
303.23248	0.7
305.21033	1.7
317.21146	1.1
319.22754	2.4
331.22751	2.1
333.24350	1.2
345.24301	6.6
359.25894	3.4
401.30527	100.0
402.31061	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	401.3053
Annotation	17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate
Peak:m/z	Relative Intensity
53.03943	1.2
55.01877	2.1
55.05518	5.8
57.07071	1.0
66.36347	0.6
67.05511	4.7
68.99816	1.1
69.03419	1.7
69.07076	8.8
69.84931	3.8
74.25101	0.8
77.02721	0.8
79.05502	3.6
81.03416	2.2
81.07066	14.5
83.01349	1.6
83.04996	1.7
83.08639	3.7
83.09782	0.6
91.05479	2.5
93.07050	5.9
95.04987	2.0
95.08620	11.5
97.06526	2.7
97.10184	0.9
97.49473	0.7
98.20727	0.8
105.07031	2.4
107.04971	2.5
107.08617	5.7
109.02888	5.2
109.06551	1.2
109.10164	1.9
111.04510	1.0
111.08091	1.8
111.11683	0.7
114.41283	0.7
117.06989	1.0
119.08572	2.8
121.06531	2.0
121.10136	4.9
123.04461	1.7
123.08099	2.2
123.11659	1.1
123.35969	0.7
125.02365	1.9
125.05990	2.0
127.03922	3.2
131.08562	1.6
133.10144	2.0
135.04456	1.2
135.08148	1.9
135.11803	1.5
137.13261	3.2
139.03903	1.7
139.07626	1.5
139.11226	1.1
141.05502	1.4
143.08559	1.5
145.10114	1.0
147.08055	2.0
147.11707	0.9
149.05965	1.6
149.09715	1.0
151.03920	34.6
153.05481	1.7
157.10156	1.0
158.15306	0.7
161.05986	1.0
161.09613	1.5
161.13255	1.9
163.07538	1.3
163.14845	1.5
164.43324	0.8
165.05505	2.6
165.09157	0.8
177.12712	1.0
177.16383	0.8
179.07031	1.3
179.14352	1.0
181.08714	0.9
189.16495	1.1
191.17976	1.0
203.17961	1.3
205.12236	1.7
205.15887	2.7
213.16360	0.9
221.15289	0.9
223.16925	4.7
231.17461	2.2
248.87483	0.9
259.17072	2.6
265.18118	2.9
270.17636	0.7
277.18063	5.0
291.19617	1.8
317.21332	0.9
319.22659	1.4
333.23877	0.7
345.24268	2.2
401.30551	100.0
402.30789	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	401.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98067	1.8
55.05525	5.0
56.96536	2.5
57.07047	2.4
66.65719	1.8
67.05509	4.2
69.03426	3.9
69.07057	3.8
71.11803	4.3
79.05494	5.9
81.03418	2.7
81.07065	5.0
85.02945	1.9
91.05472	7.1
93.07028	6.3
95.04990	2.3
95.08620	6.0
98.97594	2.5
100.49422	2.0
101.00879	4.0
104.09618	1.9
105.07028	3.9
107.05002	3.3
107.08572	3.6
109.02934	3.2
109.06530	2.6
109.10136	3.0
111.04442	2.5
111.08093	3.2
117.66006	2.1
119.01941	6.0
119.08597	3.4
121.10157	2.6
125.06050	2.4
137.05959	3.3
138.73911	2.0
143.02000	2.2
143.08467	2.6
145.10086	2.5
159.08107	2.2
161.09593	2.2
167.07016	3.7
181.04997	2.1
187.00877	2.8
229.07408	2.2
271.04324	2.9
315.08740	3.7
315.18054	3.3
330.11081	2.7
330.17279	2.1
333.17657	4.2
347.48138	2.1
353.10263	2.2
357.18704	12.3
372.77084	2.0
383.10898	3.6
383.15320	2.9
401.12439	3.2
401.17844	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69167	1.0
53.00306	1.5
55.05500	2.1
56.96574	1.3
57.07079	1.7
65.03931	1.8
67.05498	3.0
69.07071	5.6
69.25912	10.8
70.06599	2.2
71.05001	6.5
81.07062	1.7
81.93634	1.1
88.07647	5.4
89.71666	1.0
91.05473	2.5
93.03392	1.9
93.07041	2.6
95.04992	2.2
99.10828	1.0
102.09189	1.7
111.08092	65.1
113.06015	3.8
121.02891	1.7
123.04405	1.9
123.08044	1.7
129.09138	13.9
131.01299	3.9
131.08601	1.3
144.95050	1.2
147.04439	5.7
149.02354	96.5
151.03923	2.0
155.07043	1.4
163.03946	4.7
163.85161	1.0
165.01845	1.2
165.05496	10.5
167.03419	100.0
171.13808	1.9
179.05110	1.1
191.03397	17.9
191.07115	2.8
205.04939	1.4
213.09004	1.2
217.08649	1.7
241.08696	3.3
257.26758	1.1
259.09686	62.0
273.14902	14.4
277.10730	77.9
315.15982	2.5
332.41241	1.3
339.34604	4.5
345.08957	1.4
354.27649	1.2
400.38004	5.1
401.23270	55.2
401.38251	15.6
424.23633	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.16
Annotation	CHEMBL1821994
Peak:m/z	Relative Intensity
50.96164	0.8
55.01859	1.3
55.05503	1.2
56.96564	1.4
67.05499	1.3
68.02644	1.1
68.99783	1.5
69.07059	3.9
71.55296	1.3
78.30604	0.8
79.05464	1.2
81.03418	1.8
81.07063	2.1
83.01352	2.7
83.04984	9.9
91.05497	2.1
95.04997	1.1
96.22009	0.9
105.07049	1.5
109.10174	1.3
111.04456	5.5
121.06512	53.1
121.10142	1.1
124.01535	2.0
135.04443	2.3
137.05971	3.1
139.03900	1.6
141.22609	1.0
147.04399	1.2
149.02354	1.2
149.05980	2.3
153.48717	0.9
154.02571	4.9
167.03427	7.8
169.04985	27.3
180.00545	23.1
183.08078	0.9
185.04468	1.1
194.02086	4.0
195.02910	86.3
196.03311	1.9
198.01616	57.1
209.04437	15.8
211.07533	1.7
213.03955	100.0
214.04353	1.4
228.07849	1.0
237.03889	4.7
239.07016	1.3
250.70920	1.0
251.09171	16.7
256.07303	4.8
259.75797	0.9
271.06018	2.3
271.09189	1.0
281.07993	2.1
284.06726	2.5
286.08261	2.5
299.09216	10.8
315.08383	1.7
317.10107	2.9
323.12744	1.9
327.08661	1.6
327.15686	1.0
345.09735	38.7
355.15588	1.5
383.15378	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.6
58.99588	2.9
61.01155	2.8
61.30895	0.6
70.06601	6.7
70.22664	0.8
70.23001	2.6
72.04520	4.2
76.02236	3.2
79.55027	0.8
83.42279	0.7
84.04507	15.1
86.09716	1.2
88.02223	100.0
90.05563	40.5
100.03992	2.9
102.04859	0.9
102.05553	18.3
102.06184	1.5
104.01678	1.2
116.01701	2.1
117.04861	1.0
133.64285	0.7
139.03940	1.4
142.03244	7.1
145.04333	4.4
147.04454	1.3
157.20107	0.7
158.02815	2.4
165.05539	0.9
167.07123	4.1
170.02736	0.9
176.03897	0.8
177.05521	5.1
187.05370	23.0
187.06952	1.5
188.03784	23.7
197.86919	0.8
205.06439	91.5
223.04263	2.7
239.14613	0.7
353.41061	0.8
401.13843	2.9
402.15463	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	401.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97961	1.7
55.01870	5.8
56.96569	3.1
58.99582	5.2
69.03441	1.9
70.06599	29.2
71.54827	2.7
72.04507	8.0
75.52097	1.6
76.02245	2.6
80.52455	1.6
84.04508	16.2
85.02916	1.7
86.09714	12.2
88.02223	100.0
88.04025	2.0
90.05559	45.2
91.05476	4.1
100.03970	4.3
102.05534	18.6
105.84029	1.9
107.04966	2.3
119.04918	4.6
123.11140	1.8
139.03912	4.1
142.03236	5.8
145.04306	2.4
147.04431	11.5
148.74791	1.6
151.07779	1.7
158.02753	2.6
163.03885	2.9
164.33414	1.6
167.07010	7.0
174.48138	2.1
175.03995	1.9
177.05524	11.8
185.09189	2.0
187.05377	22.6
188.03770	18.4
191.04950	1.9
192.06523	3.6
205.06432	94.9
207.08867	3.5
209.08032	2.8
210.89465	1.6
223.04234	18.9
239.08949	2.5
357.11862	2.2
401.14453	10.2
401.18634	2.4
401.24823	3.3
402.15515	5.3
410.27121	2.3
411.09433	2.1
423.06644	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1578
Annotation	Asn Met His
Peak:m/z	Relative Intensity
53.03942	1.3
56.96563	4.6
63.68361	1.3
69.56879	9.5
74.54845	1.2
86.09714	3.4
91.05482	2.4
97.06570	2.5
98.97577	4.1
105.07037	1.7
114.91302	1.2
131.08609	1.5
137.67522	1.5
138.74207	1.5
139.03897	2.0
147.11752	1.5
167.07072	5.3
213.08023	5.3
231.09171	3.1
239.09558	5.2
257.07181	3.8
257.10632	3.3
275.08090	3.6
283.80142	1.4
401.15753	100.0
401.21512	4.0
402.16083	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	401.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.28137	2.1
69.03448	2.2
69.07059	3.0
69.46436	16.2
72.96125	2.7
78.04740	3.2
79.05502	15.6
81.03368	2.3
81.07059	4.0
85.02947	3.2
91.05513	6.6
93.07046	3.6
95.04974	4.1
95.57900	2.2
97.06545	2.5
98.21515	3.0
98.38996	2.3
98.97615	3.9
105.07072	5.3
107.04967	26.8
107.08628	4.2
115.05465	6.2
117.07028	4.7
123.04436	6.6
124.05209	3.5
128.06168	3.9
129.07021	5.5
131.08585	10.9
137.05971	3.2
139.03882	6.7
141.07051	4.6
144.05760	6.4
145.06525	6.8
145.10170	2.3
151.03809	2.8
152.04738	4.1
156.05719	10.3
157.06538	3.6
159.08046	15.1
161.05980	4.1
163.03940	4.5
166.73697	2.3
167.07068	100.0
170.07281	2.7
173.05998	5.3
181.08560	3.0
186.06880	5.1
187.07571	10.5
191.06996	3.1
195.06567	3.3
202.06271	5.9
202.07928	3.5
205.06888	3.9
205.08600	16.0
207.06462	3.4
207.08221	3.8
208.05212	23.1
208.08852	2.7
209.08186	2.6
210.06641	2.4
217.08643	37.5
218.07330	7.4
219.08145	10.3
219.10091	5.5
220.08884	5.3
221.06049	7.6
229.08684	4.4
231.08096	12.6
231.10178	3.3
233.09676	4.5
234.06729	3.1
235.07620	4.7
236.04756	7.0
236.08337	2.6
240.04199	3.6
245.09544	4.0
247.07555	11.7
247.09779	15.4
248.08348	11.0
249.05609	4.4
254.05821	11.7
257.04419	2.6
259.07605	5.7
261.05493	4.9
261.09100	5.3
262.09949	3.8
263.07312	5.7
263.10675	11.2
264.07968	6.2
265.08560	6.4
267.06534	7.3
269.08105	21.8
271.09720	8.5
272.06738	4.5
275.07065	3.7
276.07782	5.5
277.08627	5.9
279.10251	5.9
282.05396	5.5
282.08850	12.6
284.06879	4.9
287.09305	3.5
289.08771	2.9
290.09528	5.2
291.10150	17.7
292.07300	5.4
293.08154	8.4
299.09253	4.5
300.06149	3.6
301.07288	3.8
307.09607	8.7
308.10410	8.5
309.11282	2.7
310.08395	10.3
315.08658	78.3
316.09665	3.5
319.09708	8.2
321.07706	6.0
323.12753	12.9
325.10693	3.9
328.09244	4.0
330.11008	84.6
331.11700	15.1
336.09860	6.5
337.10724	6.0
339.12427	9.1
343.11725	19.8
351.12296	29.6
352.13135	4.2
353.10022	5.4
368.12689	8.3
369.13062	4.3
371.14972	4.2
383.14929	53.4
384.15268	3.9
401.16022	22.7
401.21432	7.4
401.28955	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	401.1234
Annotation	Piscidanol
Peak:m/z	Relative Intensity
55.01848	1.5
55.05486	1.6
56.96539	1.0
65.03912	1.5
67.05463	3.3
69.07031	1.4
69.30277	0.9
69.30669	6.2
79.05465	2.1
81.03375	1.1
81.07071	3.9
85.02882	1.4
87.76550	0.8
91.05434	3.1
93.03353	2.0
93.06986	2.3
95.04936	1.8
95.08556	2.1
97.10157	0.8
98.21571	1.6
105.06974	2.4
107.04893	0.9
107.08556	1.1
109.06489	1.9
109.10115	1.9
115.05455	1.2
117.06995	1.1
119.04902	2.0
119.08546	1.8
120.92870	0.7
121.02850	5.0
121.06483	0.9
121.10036	0.7
123.04399	0.9
131.08569	0.7
133.06464	0.8
133.10132	0.9
135.04379	1.3
135.11603	0.8
137.02274	2.1
145.06415	1.2
147.04362	1.5
147.07991	1.3
149.02339	3.7
151.02763	1.1
151.03923	20.9
151.05016	2.1
153.01759	1.2
153.05504	1.0
159.11705	1.0
161.05919	1.2
163.03838	0.8
165.01793	2.8
174.06807	1.0
175.07431	1.4
177.01811	3.2
177.05455	7.3
191.03421	1.1
201.05457	6.1
203.03412	16.3
203.06934	1.8
212.04695	0.8
213.05460	1.1
217.05013	1.0
219.06625	5.0
221.04431	1.7
229.04956	0.9
229.07521	0.9
231.06508	1.0
251.07022	1.1
269.04352	1.4
269.08078	1.8
269.10638	0.9
272.06491	0.7
274.31210	0.8
279.06567	3.9
286.04779	1.7
287.05576	1.4
293.08218	1.1
295.09668	1.0
297.04349	1.2
297.07553	3.7
298.04715	1.0
299.05594	1.2
301.07083	2.0
307.05957	2.7
307.09338	0.8
308.06766	1.1
313.06998	2.2
314.04181	7.3
316.11810	1.1
317.06500	1.8
322.08408	1.4
325.03479	1.5
325.07114	19.3
326.04160	1.1
326.07669	1.4
327.04987	1.2
327.12634	1.0
329.06592	38.6
330.07001	1.9
336.06097	1.8
339.08649	1.0
341.06537	6.1
341.10260	2.6
350.07840	2.7
351.08606	2.2
352.05927	2.3
353.06570	24.8
354.07251	2.6
355.04761	1.2
355.08325	1.5
355.12018	1.5
365.10074	6.2
367.08255	3.8
368.09000	9.2
383.11282	100.0
384.11639	3.4
401.12347	90.9
402.12650	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	401.1238
Annotation	Lisetin hydrate
Peak:m/z	Relative Intensity
55.05499	1.3
55.23043	0.8
56.96575	1.9
67.05499	2.0
69.03439	1.3
69.07052	1.4
79.05478	1.9
81.07070	2.3
85.02904	1.2
87.91567	0.8
91.05467	0.9
92.02769	0.9
93.07028	1.6
95.05009	1.1
95.08585	1.6
97.02921	1.2
98.97592	1.2
113.74397	0.9
119.04969	1.2
121.02879	30.0
137.05989	2.1
145.06488	1.1
167.07024	1.0
175.03848	1.2
190.06294	1.4
218.05659	1.4
219.02980	5.4
233.08238	1.5
257.04517	1.2
258.05225	1.4
269.08206	1.5
277.08505	1.1
280.90121	1.0
286.04703	2.1
287.05472	2.3
297.04303	1.6
297.07632	3.9
302.03864	1.1
314.04211	3.8
316.11935	1.2
323.09286	2.1
325.07117	1.1
326.04260	2.6
327.04968	2.1
329.06564	11.0
339.05099	6.6
340.05591	1.5
341.06641	3.5
345.06104	1.3
350.07870	1.2
353.06595	56.8
367.08188	1.4
368.08966	2.9
383.11285	100.0
384.11694	5.1
401.12424	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	399.1995
Annotation	Lys Asp His
Peak:m/z	Relative Intensity
51.34405	0.5
54.74199	0.5
55.05510	0.9
56.23740	0.6
67.05495	0.7
69.03416	1.0
69.07068	1.0
70.06598	1.2
71.56372	1.0
73.44723	0.6
79.05492	1.4
81.07050	1.7
83.05001	0.6
84.08149	0.8
85.02879	1.2
91.05478	1.4
93.07072	1.4
95.08598	1.6
97.02870	0.7
98.97617	0.9
105.07024	0.8
107.04961	0.8
107.08615	0.6
109.02919	0.7
109.10143	1.0
119.08594	1.3
121.10155	1.3
129.07071	0.7
131.08549	0.6
133.10164	0.6
135.08075	0.6
135.11673	0.7
136.06259	0.6
137.05959	2.0
142.51579	0.6
143.01868	0.7
143.08620	0.5
143.57932	0.5
145.10112	0.8
158.51860	0.5
159.11700	1.1
161.02895	0.9
163.11238	0.8
167.07166	0.7
169.10191	0.5
189.09103	1.5
201.09169	0.5
219.10231	0.6
219.17441	2.1
399.19916	100.0
400.20422	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	399.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.3
61.02925	0.6
69.03445	1.6
69.07045	0.4
70.06586	1.9
70.60363	0.4
70.60712	1.0
73.02922	0.4
79.05508	0.5
81.03411	1.0
81.07069	0.7
84.08141	0.9
85.02920	2.9
91.05476	0.8
93.07050	1.1
95.04957	0.4
97.02859	1.6
105.07042	0.8
107.08593	0.6
108.01234	0.3
109.06479	0.5
109.10190	0.5
115.05380	0.4
119.08579	0.7
121.10147	1.3
127.03902	0.5
127.08670	0.7
131.08499	0.5
133.10130	0.6
135.11665	0.7
145.10173	0.7
147.11688	0.5
149.09657	0.5
151.07602	0.7
159.11761	0.6
161.09599	0.7
217.15964	0.5
219.13733	1.3
229.15500	0.8
237.14832	4.8
315.91815	0.4
348.29437	0.3
381.10281	0.3
381.14777	1.1
399.19946	100.0
400.20255	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	399.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.9
55.01854	0.5
55.05517	1.9
57.03429	1.0
57.07071	2.6
59.05013	1.3
61.02925	4.2
67.01872	0.6
67.05508	7.4
68.99794	5.0
69.03441	7.0
69.07073	100.0
69.51717	3.1
70.07402	0.7
71.05000	2.1
79.05508	3.6
79.05896	0.5
81.03426	12.6
81.07063	31.5
83.04988	4.1
84.08161	0.8
85.02909	10.5
85.03368	0.7
87.00838	2.9
91.05506	1.6
91.14523	0.5
91.47861	0.5
93.07053	1.6
95.04980	2.4
95.08609	6.3
97.02894	3.9
99.04451	2.7
105.01882	0.9
105.07057	1.6
107.08618	5.4
109.02891	9.7
109.06520	2.9
109.10168	9.4
121.10169	0.9
123.08102	1.0
123.11720	49.0
124.12006	0.6
127.03926	13.4
129.01836	6.8
133.10155	1.1
147.02902	4.6
147.04309	0.5
150.79459	0.6
151.11195	48.0
153.01915	0.7
163.07628	0.6
213.03957	1.2
231.05043	0.5
295.15442	1.0
367.96320	0.6
381.15649	0.7
399.15790	3.4
399.21072	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44791	1.5
56.05029	2.3
56.96563	4.6
60.95858	2.8
65.51219	1.4
69.03429	3.6
70.06599	5.9
71.08630	1.9
71.54877	1.6
84.04493	1.6
84.08161	2.9
85.02918	2.0
85.76450	1.6
89.03925	2.5
89.31236	1.4
91.05479	5.4
93.07042	1.6
94.06577	4.7
97.02905	7.0
98.97598	11.8
101.06017	1.7
102.05518	1.7
108.08109	6.5
110.06071	2.4
110.97569	4.2
116.98605	4.2
117.03386	1.7
119.04945	4.8
120.97847	1.8
122.06041	19.2
127.03873	1.7
128.98615	5.4
136.06184	20.2
136.07571	19.5
140.07077	30.5
143.00185	1.5
145.02802	3.6
147.04413	10.5
154.08659	14.7
155.05061	1.6
158.99641	2.7
161.01215	2.0
161.02988	1.6
163.03951	2.9
164.07115	3.2
177.00800	1.7
177.05438	3.2
182.08118	14.1
200.09193	100.0
205.98993	1.7
207.06541	1.7
208.09645	2.2
219.01764	5.2
220.65393	1.4
227.02336	2.0
237.02809	8.9
247.19916	1.4
250.09338	6.7
339.09610	1.7
353.05441	2.5
371.06668	2.2
399.05951	6.2
399.12772	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	399.163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11615	0.7
55.01875	2.2
55.05499	1.5
60.88593	0.7
67.05534	0.7
69.03440	1.2
69.07059	2.6
69.49090	1.7
69.49490	4.9
70.06590	1.2
79.05492	0.9
81.07065	3.7
90.43439	0.9
91.05509	1.2
93.07043	1.7
95.04931	0.8
95.08607	1.7
97.02899	1.0
98.97607	1.1
101.00885	1.8
105.07027	1.6
107.08613	1.2
109.10155	1.5
111.00841	0.9
119.01930	2.8
119.08593	2.0
121.10219	0.9
123.11737	1.6
128.98599	0.8
131.01866	0.9
131.08574	1.2
133.10132	0.8
137.05960	2.6
143.01959	1.6
147.11786	0.8
151.11157	2.5
157.03343	0.9
161.02983	1.5
177.47688	0.8
181.40157	0.7
187.00861	1.8
229.01961	1.5
243.04814	7.3
245.06346	0.9
256.66925	0.8
271.04364	1.1
281.14163	0.7
287.03751	18.3
289.05173	1.8
313.16254	3.1
355.17297	20.4
399.16284	100.0
399.27313	13.1
400.16626	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	399.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.8
57.07073	0.6
57.86333	0.5
61.02914	0.7
67.05487	1.1
69.03431	1.2
70.06599	6.1
71.04942	0.7
71.08617	0.7
71.55258	1.1
72.08144	2.0
79.02249	0.6
79.05495	0.8
81.07050	1.7
84.04526	1.2
84.08108	0.9
85.02892	3.0
86.09696	3.0
91.05470	0.8
93.07044	1.9
97.02894	3.1
98.97594	1.6
100.07578	0.7
100.11250	1.3
105.07041	1.4
107.08607	0.9
109.06529	4.6
111.04436	1.4
115.03913	0.9
120.08083	0.8
121.10194	1.1
123.08057	0.9
127.03957	0.8
128.07080	0.7
130.06570	0.7
131.08623	0.8
136.06174	1.1
137.05994	0.9
145.10202	0.7
149.09639	1.6
151.03825	0.8
163.11191	1.8
173.93713	0.6
175.08719	1.4
182.15443	1.8
183.14882	0.7
210.14915	2.3
211.06212	0.9
216.67378	0.7
237.10974	9.9
238.05336	5.3
239.05655	10.2
241.07224	0.8
250.09497	1.3
265.61209	0.6
319.11081	1.3
337.21216	0.7
381.08917	0.6
381.13065	3.5
382.11505	1.4
399.16257	100.0
400.16660	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	399.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57444	0.4
55.01867	1.6
55.05510	1.0
56.96565	1.0
67.05499	0.9
69.03439	0.4
69.07065	2.0
71.08627	0.5
71.55667	0.4
73.00137	0.4
79.05489	1.0
81.03425	0.5
81.07064	1.6
85.02918	0.7
85.97469	0.5
91.05484	1.1
93.07037	1.1
95.08600	1.1
97.02885	0.8
101.00903	2.1
101.05976	0.6
101.18466	0.4
105.07010	1.0
107.08546	0.7
109.10143	0.6
119.01910	3.3
119.08566	0.8
122.21002	0.5
131.01913	0.6
133.10120	0.7
135.11751	0.5
136.06253	0.6
137.02910	0.5
143.01945	1.3
147.04535	0.4
147.11743	0.7
161.02969	2.0
177.09113	0.6
185.04274	0.6
187.00929	2.0
221.05139	0.8
227.05341	1.0
229.01949	1.2
243.04836	0.5
271.04294	1.6
287.03802	1.6
295.15405	0.7
313.16190	3.1
331.15860	1.6
333.21191	0.6
337.16174	1.1
345.02817	0.5
355.17291	24.5
399.16284	100.0
400.16730	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1442
Annotation	Dulxanthone E
Peak:m/z	Relative Intensity
54.12070	0.3
55.01847	1.0
67.05473	0.4
68.99757	0.4
69.03390	0.3
69.45982	2.5
75.74780	0.3
76.03212	0.3
79.01837	0.4
79.05456	0.5
81.03387	0.3
81.07061	0.4
86.28771	0.3
91.50594	0.3
92.67606	0.4
105.03352	0.6
105.06978	0.4
107.01277	1.4
107.04917	0.4
121.02838	1.0
122.03624	0.5
135.04367	1.1
137.02332	0.4
137.05956	0.9
145.06448	0.5
146.03670	1.7
149.02313	1.2
149.05916	0.6
151.03882	0.5
153.01715	0.5
163.03896	0.4
164.04654	0.8
165.01819	1.8
165.05473	5.5
173.05968	0.7
175.03850	0.4
189.09129	0.5
191.06987	0.7
194.12051	0.3
197.05943	0.5
201.05444	0.6
213.05408	0.3
217.08582	2.0
229.04822	0.8
233.04163	0.3
239.70107	0.3
245.08107	0.6
253.04964	0.4
254.05806	0.9
255.06540	0.4
257.04440	0.9
271.06070	0.6
273.04776	0.4
273.07605	1.5
281.04462	0.9
282.05234	2.1
283.06070	0.4
298.04803	0.7
299.05524	8.8
300.06168	0.7
310.04733	0.8
311.05481	3.5
313.03375	1.0
313.07172	1.0
314.04224	1.4
327.05005	28.9
328.05685	6.2
343.08142	100.0
344.08395	2.9
344.61984	0.3
383.11060	1.0
399.14407	79.0
400.14673	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	399.1444
Annotation	Dulxanthone E
Peak:m/z	Relative Intensity
56.96549	0.5
57.07067	0.5
61.02919	0.4
69.31699	2.6
79.28979	0.3
81.07026	0.5
85.02884	0.4
101.09667	0.4
108.05732	0.8
115.15880	0.4
121.06506	5.0
128.55177	0.4
135.04422	11.3
137.02322	0.8
138.44359	0.3
144.44955	0.3
148.05180	1.3
161.05952	0.9
173.06079	0.3
180.00481	0.6
181.01353	0.4
187.07581	0.6
188.08284	0.5
195.02895	1.3
198.01659	1.2
198.06776	0.6
199.07564	0.8
213.05530	0.4
216.04231	0.4
218.09973	0.3
223.03719	0.5
226.06232	0.9
229.05028	0.8
241.04970	1.6
243.06589	0.9
243.08957	0.5
244.07349	2.6
253.05009	0.4
257.04486	1.8
269.04547	1.0
271.06000	1.3
272.06808	6.7
282.05319	0.5
285.03961	10.4
286.04279	0.4
287.09140	0.7
299.05609	0.9
299.33807	0.4
300.06311	12.8
301.06879	0.4
313.03452	1.2
315.08643	0.4
327.05017	3.0
328.05801	31.3
329.06482	2.5
341.06500	1.0
343.08148	100.0
344.08502	2.1
348.26498	0.4
399.14407	24.4
400.14709	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.3633
Annotation	C6 ceramide
Peak:m/z	Relative Intensity
55.05518	2.3
57.03448	1.5
57.06832	0.7
57.07087	12.6
58.06607	16.0
58.21394	0.6
62.01386	0.6
67.05513	5.5
67.29147	0.7
69.03444	4.9
69.07085	3.8
71.08286	0.9
71.08642	10.0
71.54691	0.7
81.06742	0.5
81.07072	6.5
83.08644	3.7
85.10195	4.8
86.06077	100.0
95.08616	8.8
97.10164	3.4
98.04415	0.7
103.31503	0.7
104.07117	64.6
109.10146	4.4
111.11753	0.9
123.11701	1.9
125.13271	0.8
137.13263	0.9
224.84619	0.6
241.00800	0.6
295.29965	2.8
315.38660	0.7
324.32565	1.8
352.35703	1.3
380.35263	47.7
381.35788	2.4
398.36307	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	398.9764
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	8.2
58.91037	0.2
69.86961	1.1
71.95274	2.2
75.02680	0.2
98.20865	0.3
98.97594	75.8
99.97974	0.3
116.98633	43.7
119.01856	0.3
130.93338	0.6
134.99673	16.3
140.00241	1.0
149.01224	0.4
153.00716	1.5
158.01295	0.6
172.94379	3.8
187.53224	0.3
190.95425	3.4
197.95132	0.3
202.24539	0.2
203.02473	0.3
208.96497	1.0
214.95378	2.3
219.01938	0.4
221.01826	0.4
230.98753	0.3
232.96484	7.2
234.99901	0.2
240.98787	0.4
250.97571	3.1
256.96454	13.8
258.99789	3.0
259.99976	0.3
260.99994	0.4
261.03073	1.2
262.03287	0.5
263.02844	0.3
274.97534	100.0
275.97925	0.8
276.97919	0.5
277.00821	3.2
283.00070	1.5
284.00095	0.4
284.99805	0.6
288.99054	0.9
292.98584	48.3
297.99130	3.5
298.97717	1.3
301.01083	1.2
302.01166	0.3
303.00928	0.6
307.00266	0.6
310.99911	0.4
316.00229	1.1
316.98758	1.2
357.03455	0.5
374.98770	0.4
398.97751	1.2
416.98764	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	398.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	11.1
56.96562	18.1
57.07076	8.3
61.02941	11.4
61.29529	5.2
67.05515	30.0
67.10714	5.8
69.03448	12.0
69.07072	23.0
69.42829	30.5
71.05003	6.6
71.08630	10.3
73.02936	9.5
79.05496	19.6
80.05907	4.3
81.07078	35.5
83.08655	9.3
84.03149	4.5
85.02905	10.6
91.05495	16.5
93.07050	22.1
94.10097	5.2
95.04979	6.7
95.08624	26.5
97.02943	6.2
97.06558	6.1
98.21477	11.0
99.08086	11.2
105.07023	10.7
107.08600	8.1
109.06542	19.7
109.10165	9.4
110.97573	11.3
119.08622	16.5
121.10145	8.7
123.11694	8.3
128.98654	9.3
132.50970	5.9
133.10086	6.1
135.11674	5.9
146.99677	5.8
147.11688	11.0
165.12740	33.6
177.12724	6.2
209.18935	8.5
227.05937	8.3
229.07477	10.6
243.08990	7.2
243.91597	5.2
259.08600	5.8
265.26215	6.6
281.07053	6.4
282.24857	5.2
289.25235	20.7
299.08005	16.8
317.17905	9.0
317.24771	86.0
335.25858	100.0
398.24033	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	397.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	0.8
61.15617	0.5
67.05502	1.1
69.03432	1.2
69.07055	1.2
71.54876	0.5
71.55316	0.5
73.86484	0.5
74.99302	0.4
79.05507	1.1
81.07061	2.3
85.02924	1.1
91.05485	1.2
93.07066	1.3
95.04944	0.7
97.02877	0.7
101.00898	1.5
105.07042	1.6
107.08598	1.7
109.10151	1.2
119.01968	2.7
119.04951	0.8
119.08581	1.1
121.10234	0.6
125.09651	0.6
131.08568	0.5
137.05963	3.3
147.04462	0.7
149.06010	0.9
151.03876	0.9
159.07957	0.5
159.11723	0.9
161.02977	0.8
173.03023	0.7
175.11258	0.5
177.05508	1.1
177.08997	0.6
185.04248	0.6
225.13573	0.6
235.11824	0.7
253.12823	2.5
265.13049	1.0
271.13980	1.4
273.11301	1.0
283.06204	0.8
295.13876	1.6
311.05313	0.6
315.97565	0.5
323.09097	0.8
349.07535	0.6
349.11658	0.9
355.16092	2.2
379.08334	0.7
379.15628	0.6
397.18317	100.0
398.18549	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.6
57.07074	17.0
60.13308	5.6
67.05502	29.1
69.07069	30.0
71.08630	16.5
71.40524	7.9
79.05502	16.3
80.81487	6.5
81.07053	60.0
83.08633	16.8
85.10162	11.2
91.05467	20.8
93.07031	24.8
95.08637	54.1
97.10154	10.0
105.07043	22.0
107.08598	28.8
109.10161	48.4
111.11707	13.7
119.08591	29.0
121.10191	15.6
123.11709	16.5
133.10124	19.2
135.11743	35.7
136.33321	6.4
145.10136	9.7
147.11697	60.1
149.13268	20.9
161.13246	48.6
175.14836	26.0
177.16306	6.8
189.16325	10.9
203.17966	7.7
215.17958	11.4
215.74020	6.8
243.21156	11.7
248.96414	7.4
253.91873	7.0
397.38263	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53571	3.6
55.05510	5.7
56.96564	4.7
57.03443	27.0
59.04992	11.6
60.04517	5.8
61.02924	9.1
69.03082	6.1
69.03436	85.1
69.07066	30.4
70.06605	7.5
71.21756	8.3
73.02901	5.5
79.05451	4.2
81.07068	6.3
85.02911	100.0
86.09697	7.2
87.03993	6.4
87.04478	63.3
90.16455	4.4
91.03982	5.1
93.07051	10.5
97.02900	75.9
98.97578	6.2
99.08100	4.3
107.28785	4.7
110.16209	4.1
111.08085	12.2
115.03942	96.4
124.07577	23.7
127.03931	21.7
129.07025	5.2
131.04993	4.5
133.04990	95.7
135.08128	6.7
145.04976	41.5
146.04404	4.9
150.07611	8.8
153.09132	5.7
154.08620	4.9
154.18532	5.5
163.06027	19.2
165.09151	4.9
203.07533	5.2
241.55643	4.2
259.14389	4.9
304.43091	4.7
398.15088	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	398.2694
Annotation	3,4-Dihydroxy-2-methy-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide
Peak:m/z	Relative Intensity
50.34844	0.6
53.03940	1.0
55.01862	0.9
55.05518	3.7
56.96563	2.4
57.03425	1.0
57.07065	2.6
58.99564	0.6
59.04999	0.6
61.02911	0.6
67.05511	6.1
68.05024	3.7
69.03423	2.1
69.07061	4.2
69.76015	3.7
70.06599	19.2
71.04984	1.2
79.05499	5.8
80.05029	0.9
81.03421	1.6
81.05822	0.7
81.07071	7.9
83.05004	1.2
83.08599	1.8
84.08144	1.2
85.02924	2.9
85.06549	0.8
86.88097	0.8
89.09923	0.7
91.05486	10.7
93.07054	11.0
94.06573	2.4
94.99423	0.6
95.04974	4.7
95.08617	5.9
96.08138	3.5
97.02901	1.9
97.10213	0.8
98.06066	1.7
98.21503	0.8
98.97589	6.0
99.04468	0.6
100.07629	6.3
103.05466	0.9
105.07039	14.2
106.06598	1.2
106.07377	0.7
107.07372	0.8
107.08610	6.2
108.08112	1.9
109.06525	1.0
109.10169	4.0
111.08128	0.7
114.05538	5.1
115.05442	1.3
116.06316	1.0
116.07092	7.4
116.98650	0.9
117.07015	3.3
117.76455	0.7
119.08591	16.6
120.08146	4.7
121.06594	0.8
121.08875	1.0
121.10146	6.0
122.09647	3.7
122.32657	0.7
123.08089	1.2
123.11756	0.9
125.09695	0.8
126.05542	0.8
127.03932	0.7
128.06245	1.5
128.07089	6.2
129.07007	2.2
130.07777	1.5
131.08569	8.3
132.07149	0.8
132.08047	1.3
133.10135	8.3
134.09666	1.9
135.08078	2.3
135.11713	1.8
135.88596	0.7
136.11238	2.2
137.09624	0.8
140.10748	1.0
141.06975	1.1
142.07794	1.5
143.08568	6.6
144.09314	1.1
145.10129	11.9
146.09592	1.8
147.10571	1.3
147.11694	4.1
148.11221	7.5
149.13234	0.9
151.06320	1.9
154.08664	1.4
155.08574	2.5
156.09363	1.9
157.10109	5.9
158.10863	1.2
158.99657	1.6
159.11694	3.6
160.11189	0.9
161.09598	1.4
161.13264	1.3
162.12831	1.5
163.11214	0.7
164.07121	1.8
166.08688	1.3
167.08563	1.0
168.08905	1.3
168.10234	22.7
169.10208	3.4
170.10858	1.2
171.11705	3.1
173.13278	5.2
174.12782	0.8
175.14841	2.9
177.00717	1.0
178.08699	5.7
181.10136	1.6
183.11726	5.0
184.12549	0.8
185.13257	2.7
186.12788	0.8
187.14819	1.2
188.14395	1.1
192.10220	3.3
194.11813	12.1
195.11720	1.9
197.13313	2.0
199.14850	2.4
206.11771	1.8
209.13258	3.7
211.14830	1.4
212.14449	0.8
219.01874	0.8
223.14861	1.1
223.57263	0.6
224.15779	0.7
232.13310	1.9
234.14981	2.2
237.02911	1.2
244.13249	0.9
253.15903	0.9
260.16507	4.0
264.64822	0.8
264.71851	0.7
265.15698	1.5
265.19604	1.7
267.21082	0.8
273.15320	0.8
273.65503	1.3
274.16095	0.7
285.22302	0.7
287.03876	1.7
306.20740	3.1
355.17343	1.9
368.22189	0.9
380.25906	9.2
388.42911	0.8
398.26941	100.0
399.16287	10.3
399.27322	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.165
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
55.01865	1.2
55.05516	1.2
60.96904	1.0
61.41943	1.1
65.03956	1.7
67.05502	1.6
69.03421	3.3
69.53432	6.9
70.06607	1.7
79.05502	3.5
81.03414	1.8
81.07042	1.7
81.19124	1.1
84.08137	3.5
85.02906	3.8
90.52675	1.1
91.05501	9.8
93.07049	2.0
94.04186	1.6
95.04958	2.0
95.08606	1.2
97.02899	1.7
97.10157	1.0
98.97560	1.9
99.04436	1.5
103.05476	3.3
105.07032	3.8
107.04946	3.0
107.08610	2.1
109.06538	1.7
111.04470	1.9
115.05463	3.1
117.07034	1.8
119.04967	8.1
119.08626	2.1
121.02842	1.1
121.06500	1.9
122.03661	7.2
127.03938	2.6
128.06245	4.9
129.07033	6.4
131.04936	2.5
131.08597	6.2
133.02838	1.4
133.06537	1.4
133.10133	2.4
137.05988	86.2
141.07031	3.6
142.07797	2.5
143.08580	3.5
144.05702	2.5
145.06529	2.3
146.03583	1.2
146.07297	1.4
147.04405	4.6
149.05977	4.7
149.09596	2.1
151.03908	2.5
151.07556	11.2
153.07021	2.3
154.07758	1.3
155.08601	4.9
157.06523	4.8
157.10121	1.5
158.07248	2.0
159.04413	1.1
159.08087	8.4
161.05975	14.5
161.09653	3.5
163.07593	2.1
165.01819	3.1
165.06989	4.8
167.08585	3.0
168.05664	1.4
169.06429	2.3
169.07710	1.7
170.07169	2.4
171.08084	4.9
172.05199	1.2
172.08856	3.9
173.09599	1.9
175.07526	4.5
175.11156	2.1
181.06493	2.0
182.07245	6.5
183.08051	4.7
184.05214	2.4
184.08884	3.4
185.06036	2.1
185.09613	9.3
186.06741	2.2
187.07512	5.3
187.11243	3.0
189.09090	3.5
189.12720	2.6
191.07019	5.1
194.07315	3.0
197.05940	1.6
197.09587	10.6
198.06767	15.2
199.07582	10.2
199.11243	1.5
200.08275	3.0
201.09146	4.9
202.07912	1.1
209.09631	1.8
210.06787	2.4
211.07567	3.9
212.08344	4.3
213.09131	23.5
215.08788	2.1
215.10582	7.1
216.09468	1.5
217.10266	2.3
217.15857	3.0
218.07248	1.1
219.08177	1.6
225.09132	13.3
227.10594	1.8
231.08093	2.2
231.10115	1.5
232.08946	1.6
233.09569	2.1
235.13597	1.2
235.16919	2.2
237.09096	1.2
242.09482	2.0
243.08012	1.3
243.10168	18.5
245.09720	2.4
245.11816	2.6
246.10474	2.3
247.07338	1.5
255.07880	1.6
255.10216	6.6
257.09720	3.3
258.10583	1.9
260.08337	1.6
261.09161	4.6
262.09515	1.4
263.07050	1.4
264.07797	2.2
265.08536	1.4
267.06531	1.1
271.07678	1.7
272.08331	2.0
273.11267	71.1
275.10706	3.7
276.07980	1.8
276.11075	1.2
277.08627	3.4
277.12326	2.1
278.09393	2.6
278.12308	1.3
279.06677	1.3
281.07825	1.1
283.06021	12.3
285.09021	3.6
286.09869	2.5
287.07062	1.9
287.10663	1.7
288.07840	1.9
289.08591	4.5
289.12027	2.6
290.09439	1.9
291.10187	5.0
292.07214	1.6
293.08020	2.0
293.11584	1.4
295.06134	1.5
298.04773	3.1
302.09241	1.9
303.10114	4.9
304.10739	1.5
305.08322	2.5
305.11731	3.6
307.06409	1.9
307.09592	8.2
307.12827	1.7
308.06873	1.1
308.10349	3.0
309.10730	1.2
313.07104	13.6
317.11777	3.4
318.12509	2.3
319.09872	2.7
319.13211	1.8
320.10764	2.1
321.07947	1.4
321.11325	6.4
322.12021	1.3
323.09103	3.7
323.12720	1.8
325.10724	2.5
331.09714	1.3
333.11166	3.3
334.11993	1.5
335.12729	5.6
336.13455	1.3
337.07040	1.9
337.14243	2.1
339.12552	1.9
349.07275	2.5
349.14447	6.1
351.08356	2.4
351.12320	5.0
353.13904	2.8
354.14648	10.2
361.14371	1.8
367.15399	5.2
379.08096	3.4
379.15598	10.4
397.09607	7.5
397.16495	100.0
398.16904	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	397.1652
Annotation	Predurallone
Peak:m/z	Relative Intensity
55.05509	2.3
56.96570	2.7
57.03461	1.3
57.77703	1.3
67.05498	3.4
68.92755	1.2
69.03432	2.2
69.07065	1.9
70.40784	2.9
79.05510	5.0
81.03432	1.5
81.07065	4.1
83.08589	1.3
85.02894	3.7
91.05486	6.0
91.07342	1.3
93.07066	3.3
94.04209	2.3
95.04974	3.3
95.08614	4.5
97.02914	2.0
97.10234	1.6
98.97603	2.5
103.05492	1.5
105.07066	4.2
107.04955	1.8
107.08594	3.0
109.06544	2.9
109.10177	2.8
111.08102	1.6
115.65722	1.3
117.07057	2.0
119.04958	2.6
119.08596	2.7
121.06550	1.5
121.10131	1.8
122.03647	9.1
128.06258	2.9
129.07013	5.3
131.04959	3.5
131.08592	3.0
133.02850	2.3
133.06531	2.4
136.79434	1.3
137.05995	83.9
138.06319	1.5
141.06912	3.0
143.08598	3.6
145.10153	1.6
146.03581	1.6
147.04422	3.9
147.11736	1.8
149.06024	3.4
151.03903	3.4
151.07610	3.8
153.06944	1.3
155.08612	5.9
157.06496	1.7
157.10075	1.6
159.08086	2.4
161.05986	6.8
161.09641	1.5
167.08592	3.0
168.05734	1.8
169.06543	2.2
170.07236	1.7
171.08012	2.9
177.05542	3.3
181.06470	1.8
182.07234	1.4
183.08081	3.4
185.09698	2.9
186.06903	1.8
187.07558	2.2
195.08049	2.8
197.09637	2.2
198.06851	2.8
199.07561	2.2
201.09177	4.5
202.07867	4.0
203.08688	2.1
203.10706	3.5
211.07607	1.6
212.08339	1.8
213.09106	5.2
215.08644	1.9
215.10612	3.0
216.09229	1.4
217.10181	4.9
219.08264	1.6
225.09103	3.6
229.10182	5.1
231.08090	4.7
231.10236	6.5
235.07509	1.5
235.09610	4.2
241.10164	1.8
243.08080	2.1
243.10217	2.7
245.09668	7.9
245.11847	3.0
246.10316	3.0
247.07471	1.8
247.09608	20.8
255.10274	2.4
257.09732	6.2
258.10492	3.6
259.09732	1.8
261.09152	4.3
262.09940	1.8
265.08691	1.4
269.09698	1.9
271.07697	2.0
273.08826	1.5
273.11426	7.3
273.15503	1.6
274.09921	6.5
275.10699	3.8
277.10513	12.4
279.13815	1.8
283.05951	1.6
285.09201	6.1
286.10123	3.6
287.10480	2.4
287.13263	1.5
289.08615	3.0
289.12238	3.9
290.09433	3.1
291.10294	3.2
293.11755	1.5
295.06149	1.9
301.10922	4.2
302.09534	2.9
303.10294	4.2
304.10965	2.4
305.08304	2.5
305.11746	5.5
306.08768	1.7
307.09784	3.7
307.13254	1.7
308.10452	3.0
313.10931	2.0
314.09595	2.6
315.10342	1.9
317.11774	4.3
318.12482	2.2
319.10199	2.5
319.13266	3.5
320.10495	3.0
321.11288	3.8
325.10754	2.7
329.11630	3.1
331.12024	1.5
333.11288	5.2
334.12009	2.5
335.12811	4.5
337.14188	1.9
339.16040	1.9
343.11847	4.3
346.12057	2.2
347.12851	4.0
349.14603	7.3
351.12390	1.8
354.14453	2.2
361.14142	6.0
366.14847	1.9
367.15527	9.4
379.15454	19.9
397.16553	100.0
398.16971	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51345	2.0
53.03951	2.2
55.01875	4.0
55.05534	1.8
57.03443	3.5
57.07085	3.5
64.34333	1.9
67.05505	2.0
69.02792	1.7
69.03467	3.1
70.21515	7.6
79.05479	2.3
81.03440	4.1
81.07087	3.2
82.16043	1.6
84.08195	1.7
85.02940	7.1
85.06545	2.2
91.05468	10.4
93.07087	5.7
94.04192	2.4
95.05017	4.6
97.05251	1.6
101.54264	2.0
102.12923	2.2
103.05520	3.4
105.07062	6.9
107.05019	2.7
107.08608	2.0
109.02934	2.0
109.06544	4.2
111.99641	2.4
115.05484	2.3
117.07077	3.1
118.34435	1.7
119.05001	6.1
119.08652	1.8
121.06523	3.1
121.10203	5.5
122.03725	4.8
127.48840	2.1
128.06250	5.5
128.86574	1.9
129.07074	6.9
131.05013	4.0
131.08591	4.0
133.06554	2.4
135.04515	2.6
135.08124	3.3
136.05222	2.1
137.05992	93.8
141.07039	4.3
142.07817	3.3
143.08701	2.2
144.05687	2.4
145.06500	4.3
147.04422	4.2
147.08047	2.5
149.06061	4.1
151.03975	2.4
151.07535	10.8
153.07069	2.5
155.08617	8.4
157.06528	3.1
157.10143	3.8
158.07333	4.1
159.08141	7.8
161.06038	16.2
161.09697	5.6
163.07619	3.1
165.07123	6.3
167.08592	5.2
168.05756	1.8
169.06508	3.4
170.07391	3.2
171.08066	3.7
172.08929	4.2
173.09641	2.2
175.07668	5.7
181.06488	2.6
182.07388	7.3
183.08206	6.7
184.05219	3.2
184.08949	2.5
185.06094	4.6
185.09654	16.1
187.07614	6.0
187.11272	3.7
189.09218	3.3
191.07126	3.5
195.07983	3.0
197.05995	3.9
197.09595	15.5
198.06773	15.0
199.07578	12.5
199.11356	2.3
200.08318	2.9
201.05560	3.0
201.09274	7.0
203.07097	3.0
209.09705	3.1
210.06850	4.9
211.07707	6.6
212.08440	6.1
213.05785	1.9
213.09152	30.9
215.07088	3.4
215.10785	6.4
217.05209	6.5
217.08696	5.8
218.05688	1.9
219.06682	5.3
220.07239	9.2
225.09138	16.8
227.07124	2.8
227.10809	6.5
229.08813	8.3
231.08318	2.7
231.10228	2.3
233.09801	2.1
235.09708	2.8
241.08682	4.3
243.06561	2.5
243.10208	24.6
245.08022	3.5
245.11925	2.1
247.05963	2.9
247.09685	56.2
248.06975	5.3
248.10503	5.9
253.08568	2.6
253.10870	3.2
255.10228	10.8
257.07947	2.2
259.09744	12.7
261.09094	4.5
261.11472	7.7
263.09308	4.5
264.07990	2.6
265.10843	11.8
271.09897	2.6
272.06870	2.3
273.11273	89.2
274.11893	2.2
275.09317	2.0
277.07935	3.3
277.10776	50.6
281.08212	2.4
283.06863	2.1
283.09848	7.3
287.13004	7.2
289.08636	2.7
289.12631	2.2
292.07452	2.2
292.10861	2.3
293.12112	2.8
297.11487	3.6
301.10779	24.4
303.10330	5.3
305.11884	3.5
307.09814	7.7
308.10321	3.9
313.10941	8.5
315.12439	3.9
319.11929	19.0
321.11337	7.1
325.10916	8.0
331.11816	32.3
333.11331	4.2
335.13031	4.5
343.11816	19.3
349.14563	5.7
351.12698	6.7
353.13824	3.5
354.14908	8.1
361.12796	26.4
367.15695	3.9
379.14005	34.4
397.16406	100.0
397.22229	11.4
398.16998	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67447	1.0
56.96581	1.0
67.05518	2.3
69.03423	2.3
69.07082	1.7
69.18820	0.9
72.29133	1.0
79.05499	2.3
81.03431	1.2
81.07056	3.8
83.05003	1.3
83.08586	1.1
85.02898	3.7
91.05488	1.2
93.07058	3.3
95.08591	2.9
97.02898	1.9
98.20791	2.4
98.97588	1.4
101.40518	1.1
103.05514	1.2
105.07019	2.9
106.57795	1.0
107.08601	3.3
108.61297	1.0
109.10179	3.0
119.08570	2.1
121.06581	1.4
121.10114	1.9
123.11721	1.1
127.61930	0.9
133.10182	1.4
135.11707	1.0
137.05986	3.4
147.11655	1.1
151.07599	1.5
188.62572	1.0
196.17290	0.9
205.05014	9.8
206.05763	16.4
207.06329	1.1
233.26324	1.0
235.09680	100.0
236.10037	3.5
273.11246	2.4
313.37695	1.1
353.15854	2.0
379.15234	1.2
397.15219	5.8
397.21396	1.3
397.26300	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1499
Annotation	Spicatolide A
Peak:m/z	Relative Intensity
57.07061	2.9
61.71284	1.0
70.58279	3.3
70.58638	1.3
79.01870	3.0
81.03436	1.1
85.02914	2.1
87.42844	0.9
97.02909	1.4
98.12846	1.0
109.02859	1.4
137.05960	5.6
147.04427	1.1
149.06055	1.1
151.07564	1.3
161.06036	1.2
165.01898	1.4
177.05508	1.2
187.87173	1.3
198.06712	1.5
205.05038	3.4
207.10242	1.7
213.09116	2.3
217.04970	6.5
217.08679	1.0
218.05768	8.4
219.06555	12.9
220.07320	24.7
230.05745	1.7
231.06593	2.8
232.07335	3.5
235.09573	2.3
241.04935	1.5
243.02979	2.1
243.06586	2.9
243.10263	1.6
244.07281	2.5
247.06107	7.3
247.09688	88.5
248.06868	12.6
248.10408	11.5
257.08087	3.5
258.08740	2.4
259.05978	3.3
259.09698	15.0
261.03922	1.4
261.11313	15.5
265.10825	1.6
271.06006	2.2
271.09625	1.6
272.06851	1.9
272.10413	2.1
273.11215	7.3
275.09174	3.1
277.10727	100.0
278.11179	2.9
287.09509	2.7
287.12744	20.6
289.10696	3.6
291.12415	2.1
301.10754	27.2
307.11914	6.5
313.07324	1.1
313.10864	3.3
315.12354	8.8
319.11780	3.4
325.10904	1.7
331.11786	31.4
343.11795	16.2
354.14383	1.9
361.12845	36.6
362.13190	1.5
379.13904	50.3
380.14447	2.5
397.15002	85.3
397.21951	55.6
398.15323	3.1
398.21890	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1472
Annotation	KADETHRIN
Peak:m/z	Relative Intensity
53.33895	0.5
56.49118	0.6
56.96547	0.8
64.69419	0.5
69.67993	4.1
73.11004	0.6
73.48709	0.6
85.02851	0.7
89.59655	0.6
91.48566	0.6
96.74358	0.6
98.21512	0.7
98.97587	1.6
167.84943	0.6
185.04234	1.9
189.05411	0.7
219.06285	1.5
229.28101	0.7
234.08646	8.3
235.05817	1.6
235.09387	8.2
236.09978	0.6
251.09666	0.6
271.16644	0.7
322.47067	0.6
367.13495	0.8
397.14728	100.0
398.14911	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0919
Annotation	4'-O-Demethyldehydropodophyllotoxin
Peak:m/z	Relative Intensity
53.03934	0.3
55.01669	0.2
55.01870	1.9
56.81839	0.2
57.03439	1.7
65.03918	0.7
67.01865	0.3
67.05475	0.2
68.99785	1.7
69.03407	0.8
71.09968	0.4
79.01857	0.9
79.05467	0.6
81.03426	1.4
81.07046	0.3
83.03881	0.2
85.02908	2.5
85.99752	0.2
86.09655	0.2
91.05482	2.2
92.99750	0.6
95.04940	0.5
97.02901	0.9
99.00221	0.2
103.05436	0.6
105.03374	0.2
105.07020	0.2
107.04954	0.4
109.02880	1.7
109.06531	0.2
111.04441	0.3
115.05426	0.5
119.04948	4.9
120.05688	0.2
121.02870	13.5
123.00807	1.1
131.04919	1.4
135.04420	0.6
137.02336	0.8
138.03081	0.2
141.01837	2.0
143.04880	0.2
145.01749	0.3
145.02847	3.7
145.06453	0.2
147.04410	1.2
149.02347	1.0
149.05928	0.2
153.01831	0.5
154.05473	0.2
159.04408	0.9
161.02295	0.2
163.00258	0.4
163.03912	3.5
165.01837	19.8
166.02295	0.3
167.03374	0.8
169.02887	0.4
171.04379	0.5
175.03902	0.9
177.01839	0.7
177.05493	1.8
178.99734	0.4
179.03369	0.8
181.04938	0.5
183.02895	5.7
184.03348	0.2
185.05972	0.3
187.03909	3.4
189.01826	1.8
189.05499	0.5
190.02618	1.0
190.99748	0.4
191.03381	0.9
195.02924	0.3
195.06546	0.3
197.00790	0.2
199.03905	0.3
203.03397	1.3
205.04962	2.7
207.02942	0.6
208.03665	0.3
209.00888	0.2
210.06773	0.3
210.41637	0.2
211.07527	0.4
213.05496	0.9
215.03433	1.4
217.04936	1.0
221.04382	0.6
227.07018	0.3
228.07693	0.3
229.05028	0.9
231.02902	0.9
233.04468	1.3
239.07024	0.5
241.04916	0.3
242.05815	0.2
243.02789	1.6
249.03839	0.3
252.07861	0.3
253.08516	0.3
254.05814	0.3
255.06485	1.4
256.07281	0.7
259.06064	0.6
261.04010	1.2
263.07028	0.3
267.06525	3.9
268.07291	0.3
269.04428	0.3
270.05176	1.6
271.06018	7.1
272.06424	0.3
273.03906	0.4
277.08643	0.7
279.06610	3.2
280.07236	0.7
281.04575	0.7
281.08078	4.5
283.06009	100.0
284.06534	5.9
291.06628	0.3
293.08084	1.7
294.05219	0.7
295.06009	9.1
295.09641	5.1
296.06491	0.5
296.09973	0.3
297.03922	1.4
297.07556	5.3
298.07950	0.2
305.08054	5.7
307.05978	4.9
307.09460	0.3
308.06775	4.8
309.03894	3.8
309.07559	9.6
310.04657	0.3
310.07877	0.4
311.05453	1.6
311.09082	0.6
313.07065	4.0
314.07309	0.3
320.06802	0.8
321.07574	6.7
322.08234	0.4
323.05783	1.7
323.09113	36.6
324.09576	1.4
325.07031	0.7
333.07541	6.5
334.08005	0.2
335.05460	1.1
335.09198	0.4
336.06253	0.5
337.07016	4.9
339.08582	0.2
349.07068	23.7
350.07574	1.4
351.08630	10.0
352.08896	0.4
361.07053	11.2
362.07291	0.7
367.08127	7.6
369.09723	0.4
371.55905	0.2
379.08130	25.2
380.08508	1.1
397.09177	42.0
398.09451	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49445	1.2
52.64748	1.4
53.03957	2.0
55.01893	1.5
55.05514	2.1
56.96577	2.1
65.03924	1.6
67.01845	1.6
67.05507	3.9
68.05019	2.2
69.03446	3.1
69.07064	5.2
69.24709	1.4
71.55341	1.5
79.05502	2.4
80.05018	3.8
81.03416	2.3
81.07071	1.7
83.04966	2.0
84.08157	2.7
85.02899	2.9
91.05502	4.8
93.07059	4.7
94.06015	2.2
94.06577	24.2
95.04965	4.5
97.02901	3.0
97.06573	1.6
98.06075	1.8
98.97593	3.1
105.07012	1.7
108.04503	5.0
109.06507	2.8
110.06052	6.4
111.08123	2.8
112.07632	3.1
122.06049	46.1
123.04437	3.8
123.06838	2.5
124.07610	2.9
125.32630	1.4
134.09636	2.2
136.03955	6.8
136.07597	7.2
137.06038	3.2
138.09145	1.7
139.03963	1.5
140.07076	43.2
141.10272	1.5
152.10724	2.9
154.05008	100.0
154.08632	43.0
160.48219	1.5
162.09148	20.8
163.07585	1.7
177.05487	1.7
178.05009	53.5
180.10188	13.1
190.08662	2.8
193.01437	1.5
206.04501	68.7
208.09717	85.1
209.10136	1.9
210.04008	3.2
210.07639	4.9
224.05489	1.4
230.30855	1.3
232.07088	2.1
233.07890	2.9
238.07097	23.9
293.11374	2.1
345.10855	6.8
346.09216	3.6
363.11914	21.2
367.08102	1.5
395.07648	6.2
395.13107	38.6
406.20020	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01861	5.7
55.05511	2.4
56.96558	4.8
57.03436	6.5
61.02919	6.6
67.05500	3.1
68.99794	3.2
69.03088	2.2
69.03439	38.7
69.07083	2.9
70.06557	1.8
71.04999	3.6
71.54919	2.5
72.51579	1.7
73.02917	5.1
75.76985	1.5
79.05494	2.8
81.03432	18.9
81.07042	3.8
85.02912	100.0
87.00839	45.3
91.03954	1.8
91.05474	2.5
93.07066	3.4
95.04956	2.1
95.08552	2.2
97.02895	30.8
97.37194	1.9
98.97559	3.1
99.04469	11.5
101.02378	1.8
105.01874	63.4
107.08597	2.8
108.04482	3.6
109.02881	26.8
119.17649	1.5
127.03931	59.9
129.01834	4.1
133.10245	1.9
145.04973	26.3
147.11632	1.8
159.02922	9.6
177.00673	2.6
189.03972	2.4
190.79474	1.8
213.03865	2.0
217.07346	1.8
231.05037	16.1
241.07370	2.6
249.06052	5.9
267.08966	3.1
272.14551	5.7
306.29913	1.7
396.20090	2.3
396.24377	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.2
55.05537	1.3
56.96563	2.6
65.03954	1.3
67.05512	3.2
68.05029	1.8
69.03430	2.2
69.07076	5.7
70.06616	2.0
70.82118	2.6
70.82457	2.2
76.27068	1.5
79.05515	1.7
80.05035	1.9
84.04510	1.8
84.08175	2.9
84.96080	1.9
85.02944	2.0
91.05515	3.7
93.07050	3.0
94.06573	18.0
95.05040	3.4
98.97606	5.3
108.04495	2.6
108.08086	1.5
109.06546	2.9
110.06096	2.0
112.07581	1.5
122.06046	30.8
135.27054	1.3
136.03984	5.7
136.07619	2.7
137.02396	4.5
140.07085	28.0
140.08110	2.4
154.05008	100.0
154.08615	17.3
155.05417	2.2
158.99806	1.4
162.09151	10.6
163.07690	1.5
177.05511	2.4
178.05005	50.7
180.10257	9.0
190.08633	1.7
205.04861	1.4
206.04503	60.1
208.09698	38.6
210.04012	1.7
210.07649	4.5
232.09782	1.6
233.04630	1.7
233.07814	2.0
234.98497	1.5
237.02948	1.5
238.07104	23.9
239.02374	3.2
243.05345	1.6
251.02377	1.9
269.03452	3.0
293.11563	3.1
293.17401	1.7
309.07693	1.8
321.07660	1.7
323.05438	4.4
324.06268	5.8
337.07037	2.1
338.08002	2.1
339.08582	1.9
345.10742	7.2
356.28970	1.4
363.11911	4.3
367.08121	13.8
377.13510	3.3
395.07587	38.6
395.13220	17.6
395.18130	2.5
395.25171	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0952
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40576	0.7
55.01853	0.9
56.96564	1.7
57.03445	0.9
58.27481	0.7
65.71897	0.8
69.03413	1.7
70.06587	1.5
71.03727	1.1
71.04045	1.8
71.04990	1.0
73.02925	1.4
74.58958	0.8
79.05486	1.4
81.03400	0.9
82.22004	0.8
84.08125	2.1
85.02903	3.2
86.09711	1.7
91.05490	2.1
97.02882	2.1
98.97578	1.1
107.08618	0.9
109.06521	1.0
120.08092	1.2
145.04958	1.5
147.04483	1.0
147.05528	4.8
153.09143	1.4
162.03235	0.9
219.06325	8.5
233.04208	24.5
363.11954	1.0
395.09500	100.0
395.23257	8.1
396.09946	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	395.0952
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43819	5.0
63.78701	4.6
68.92743	5.3
69.52367	34.2
88.01651	6.5
98.21547	10.5
119.06936	5.8
120.47353	5.1
127.13373	5.0
131.01968	6.5
136.38283	4.8
143.01955	9.7
149.89519	5.5
155.01825	6.8
161.02954	10.6
172.12564	5.2
181.57231	6.5
203.03925	8.7
205.44446	5.3
275.02393	6.0
275.06091	6.6
293.03503	6.3
315.50067	6.1
319.75275	5.6
395.09506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1321
Annotation	Fortuneanoside A
Peak:m/z	Relative Intensity
52.48560	0.6
56.96557	1.4
62.06085	1.4
63.97040	0.6
69.03429	0.8
69.07060	0.6
70.06583	1.3
71.14233	0.6
71.54371	0.7
71.65278	0.6
84.08128	1.3
85.02927	1.4
86.09704	1.1
91.05489	1.4
92.83302	0.7
93.07074	0.8
94.06561	1.4
97.02908	1.2
98.97572	1.1
99.82449	0.6
105.06998	0.6
106.91360	0.6
110.06048	0.7
122.06007	1.8
129.10214	1.1
136.07498	1.0
140.07076	2.2
147.04393	1.1
154.05017	4.9
154.08673	2.6
162.09169	2.0
178.05011	1.9
180.10223	1.4
185.04222	4.7
206.04443	3.5
208.09721	5.7
217.04755	1.2
232.07063	12.7
233.07880	10.7
238.07190	0.9
240.19701	0.7
274.10416	0.8
296.86365	0.6
301.44839	0.7
323.05597	1.0
352.98285	0.7
363.11902	1.7
364.11362	2.8
365.12137	0.8
367.07916	1.2
377.20972	1.1
395.13141	100.0
396.13586	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	395.075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97631	2.0
56.96568	18.0
60.60440	2.3
69.03424	2.9
70.06568	3.5
70.83556	5.3
71.12891	2.4
77.37102	2.2
80.47384	2.2
84.96030	7.4
86.09676	3.1
91.05474	10.4
97.96812	4.3
98.97587	52.7
110.97546	16.7
112.99143	2.9
116.98598	15.3
119.04883	3.7
119.27811	3.0
128.98590	12.4
134.99651	2.8
143.00166	4.0
144.98026	2.8
152.98618	4.1
158.99675	14.8
161.01306	4.5
165.02254	2.7
170.99686	6.3
173.01231	3.0
177.00644	7.9
177.02049	2.5
189.00705	2.6
189.02245	3.0
195.11595	2.8
201.00786	2.9
207.03311	13.1
212.18327	3.2
219.01776	27.9
225.04340	4.4
237.02754	25.2
255.04004	2.3
309.06473	28.5
321.07529	8.9
327.07556	100.0
349.07071	3.8
350.09082	2.8
351.07971	3.8
369.08429	6.1
377.06750	4.4
395.07428	29.2
395.15991	2.3
395.22256	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	395.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
56.96569	1.0
69.03426	1.4
69.58237	1.9
69.58656	3.7
75.74078	0.9
79.01871	2.2
81.07049	0.9
84.08171	1.1
85.02920	1.7
91.05480	1.2
98.97607	1.7
107.08604	0.8
109.02889	1.4
109.10193	0.8
119.04966	0.9
121.10181	0.8
135.04465	1.6
136.07626	1.6
137.02348	5.5
147.04433	2.6
159.04424	0.9
165.01840	1.3
168.27617	0.9
185.04243	3.3
187.03938	2.3
199.03897	1.2
201.01610	2.1
217.04959	5.7
233.04233	38.7
233.07895	2.5
241.04935	1.0
243.02911	3.1
259.05954	1.3
261.04007	3.1
275.29904	0.8
287.05609	1.6
295.06158	1.3
297.07648	0.8
299.05576	19.0
300.05951	0.8
311.05551	2.1
321.07574	1.9
323.05646	1.6
324.06122	1.6
325.07086	2.1
327.05051	2.1
337.07132	2.3
339.08630	7.8
349.07089	0.9
367.08105	5.8
377.06625	4.6
395.09589	100.0
396.09882	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05183	4.2
54.31911	4.4
55.31624	4.2
56.96305	6.0
56.96571	100.0
63.77844	3.9
64.97379	3.7
65.50782	4.1
68.55550	4.0
70.24731	3.7
70.28506	17.9
84.96053	19.4
85.02929	4.7
91.05487	9.0
98.21479	5.6
98.97604	81.4
101.00900	24.3
110.97578	7.1
113.00873	6.8
116.98628	21.9
117.04032	4.4
119.01913	32.1
119.04935	14.5
128.44482	4.1
128.98602	10.7
131.01909	20.7
134.99683	4.6
143.00191	6.7
143.01932	49.3
145.03459	18.7
147.04440	38.2
155.01888	18.5
157.03520	12.4
158.99641	10.7
159.05119	4.7
161.01134	4.0
161.01616	4.8
161.02969	57.4
166.07208	10.9
166.51059	3.8
169.01706	5.8
169.03455	13.0
173.02979	18.9
175.04518	12.4
177.00714	11.3
177.02242	9.0
181.01759	5.4
185.02924	13.5
187.00786	4.7
187.04555	14.6
191.00232	6.6
192.65790	5.3
195.03299	12.9
199.04604	7.9
203.00111	5.4
203.04037	31.4
205.01871	10.1
209.01157	5.9
213.00360	4.6
213.02377	5.4
213.04362	11.9
216.08681	7.2
221.01219	25.0
221.03032	10.7
221.05058	14.9
231.03506	12.0
233.02802	5.2
233.04929	6.5
235.02940	5.6
239.02283	88.7
239.05972	7.7
245.05115	13.2
249.04558	4.6
253.03864	7.3
257.03320	32.7
259.03003	5.8
263.02176	15.2
263.06259	8.9
267.00214	11.6
275.02429	18.5
279.01627	6.9
281.03302	53.0
285.01086	4.5
287.02637	5.3
293.03546	24.5
299.04141	6.1
323.04510	6.4
363.03934	6.4
377.05789	10.1
395.07031	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	395.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04792	1.8
53.72520	1.5
56.96301	2.2
56.96569	39.3
58.74959	1.9
64.97487	1.7
65.85136	1.6
70.07908	7.0
70.41198	1.6
84.08131	2.6
84.96017	7.4
85.02932	1.9
89.03902	7.5
91.05510	1.9
98.97599	25.0
110.97570	4.4
116.98624	9.8
117.03375	7.5
119.01863	2.3
119.04950	5.9
128.98596	3.0
135.04431	13.2
143.00194	3.2
143.01884	3.3
145.02846	9.9
147.04378	11.0
150.99008	1.8
158.99640	4.9
161.02942	4.9
163.03925	56.0
169.01817	2.1
175.04524	4.8
177.00711	4.0
177.02177	2.7
185.02058	16.9
189.03960	3.5
191.00240	3.2
193.01704	1.7
195.03311	6.8
199.04443	2.2
203.00119	4.2
203.01888	2.5
203.04028	3.7
209.01163	2.5
211.02808	2.0
213.04373	3.9
215.01640	6.0
219.49315	1.8
221.01128	8.9
221.02965	40.4
221.05112	2.4
222.03221	2.1
231.03519	4.1
233.02702	100.0
235.02756	3.3
239.02205	37.4
239.04002	3.3
245.02948	6.5
245.05087	2.2
253.03844	3.5
257.03223	12.3
263.04395	13.9
267.00363	3.2
273.22849	2.2
275.02353	3.7
279.01804	3.8
281.02869	12.2
293.03516	2.0
299.04190	2.2
335.06583	2.1
349.03986	3.4
377.05161	4.6
395.06058	34.4
395.14490	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	394.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.6
55.01862	10.2
55.05514	9.7
56.96562	5.8
57.03428	10.1
57.60302	2.3
60.35120	2.6
61.02922	6.7
67.05495	8.4
68.34190	2.1
68.99783	5.2
69.03088	3.0
69.03436	47.2
69.07075	86.6
70.48206	2.2
71.04996	11.7
73.02912	6.8
79.05482	4.8
81.03421	36.3
81.07065	12.5
83.05003	3.9
83.08610	5.4
85.02914	100.0
85.06535	7.6
85.92952	2.2
87.00834	44.4
91.03967	2.8
91.05482	4.4
91.54428	2.1
92.61825	2.3
93.07047	8.2
95.04968	3.5
95.08624	13.8
97.02898	37.5
97.06548	5.0
98.20754	10.7
98.97604	4.7
99.04459	14.4
99.08078	5.8
105.01881	34.1
105.07029	9.2
107.05011	2.8
107.08582	9.4
108.04480	5.1
109.02904	33.4
109.10160	5.4
111.04411	5.2
111.08110	22.6
111.11738	22.8
115.03900	4.4
116.98665	3.5
117.01863	4.4
119.08569	5.7
120.08128	2.7
121.06501	3.8
121.10120	7.4
123.11681	6.5
127.03932	60.2
127.11185	7.8
129.01840	5.1
129.12758	14.0
131.08568	5.6
133.10106	9.7
135.08078	2.4
135.11691	7.4
137.09508	3.0
137.13287	4.1
139.07532	7.2
139.11194	3.1
141.12767	12.6
143.08530	4.2
143.36230	2.3
145.04976	21.6
145.10124	4.4
147.11688	5.7
151.11174	2.9
159.02924	13.1
161.09586	3.9
161.13266	7.2
163.11186	3.3
169.12209	3.3
175.11180	3.0
179.10698	5.8
179.14337	5.2
182.94286	2.7
201.12622	3.3
203.05281	4.8
219.13777	7.1
229.99205	3.4
230.01353	3.0
231.05087	11.3
237.14940	9.3
282.46094	2.4
297.16931	2.9
323.14862	16.9
331.27847	2.5
341.16226	3.0
394.19699	2.6
394.27322	11.6
395.20590	21.9
419.17575	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	395.0378
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80285	77.5
79.21465	95.2
102.50156	81.5
111.97506	99.5
113.46149	85.1
156.61554	100.0
170.04207	90.3
218.31728	93.4
242.26888	85.9
249.98701	86.8
313.03641	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	395.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22490	2.9
53.15400	2.5
56.96295	5.4
56.96569	100.0
70.00433	11.9
70.06580	4.1
72.08170	3.1
74.97642	3.4
84.04500	3.0
84.08141	10.3
84.96040	68.4
91.05487	16.2
98.97594	37.8
102.97088	7.7
107.03305	3.1
110.97545	6.6
116.98625	14.7
119.04942	25.6
120.08128	7.2
128.98608	10.2
129.10275	4.8
143.00177	5.3
146.99605	3.6
147.04417	73.3
149.01280	2.6
158.99672	4.3
161.01279	8.1
169.01717	5.2
177.00752	3.2
177.02283	4.6
186.99059	3.2
187.02757	3.7
191.00165	4.9
193.01640	3.2
195.03311	12.5
203.00111	5.4
205.01802	4.5
209.01196	7.7
211.02789	5.9
213.04393	13.4
213.09149	4.0
221.01234	38.2
223.02844	7.9
225.04520	2.7
235.02873	6.9
239.02301	71.9
240.02611	2.9
245.01306	5.8
253.03809	10.2
257.03354	24.0
258.04111	4.1
263.02277	28.8
267.00226	3.4
275.02463	6.5
277.00177	8.4
279.01761	4.7
281.03391	25.3
297.02710	4.2
299.04196	2.8
319.01276	7.6
321.02689	8.3
331.01193	6.5
349.02267	3.9
367.03552	3.6
367.07999	3.7
377.01965	6.7
381.14459	2.9
395.02878	26.4
395.07773	15.9
395.14624	9.6
413.03857	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	394.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01134	0.7
53.03947	5.5
55.01879	7.5
55.05519	4.7
56.96562	0.9
57.03443	5.9
57.07082	1.1
61.02931	6.5
67.05500	2.3
68.99791	1.9
69.03432	38.7
69.07072	32.9
70.08935	3.7
71.04995	3.5
73.02924	6.2
79.05507	1.3
80.05050	0.9
81.03423	22.4
81.07060	3.2
83.05025	1.3
85.02912	100.0
87.00838	40.3
87.04465	1.2
88.83719	0.9
91.03967	2.1
91.05490	1.7
91.32401	0.9
93.07060	1.7
95.04980	1.2
95.08627	1.8
97.02898	36.1
97.03526	1.9
97.06550	1.1
98.97625	1.2
99.04462	12.8
101.02395	1.5
103.03905	1.2
105.01871	62.9
105.07062	1.2
107.08578	1.5
108.04492	2.5
109.02889	28.2
109.10166	1.3
111.04472	1.2
111.11721	2.8
115.03943	1.5
117.01859	2.2
123.04422	1.2
126.05531	1.2
127.03926	69.6
129.01834	4.5
130.57130	0.8
142.48698	0.9
145.04971	32.6
147.02921	2.8
151.11220	1.4
154.17097	0.8
159.02921	13.8
165.62410	0.8
171.02901	1.0
183.03000	1.2
189.03951	2.6
189.87878	0.9
210.39957	0.9
213.03951	2.3
219.13817	1.2
230.06464	1.0
231.05019	22.1
249.06113	5.9
329.04816	1.0
394.27267	1.8
395.72678	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.4
55.01878	7.2
55.05511	8.1
56.96563	1.8
57.03437	6.0
57.07061	1.2
57.62380	1.0
61.02933	6.2
67.05497	2.4
68.57231	0.8
68.99780	2.1
69.03431	39.1
69.07069	41.7
70.19099	3.7
71.04990	4.2
73.02916	6.4
79.05496	1.8
81.03420	23.2
81.07067	2.2
83.01344	1.3
85.02908	100.0
87.00835	47.0
87.01292	0.8
91.03940	1.4
91.05470	2.0
93.07067	2.3
95.04991	1.1
95.08606	2.4
97.02895	36.5
97.03524	1.9
98.97594	1.3
99.04455	11.8
101.02396	1.9
103.03901	1.2
105.01870	78.7
107.04971	1.5
107.08595	1.5
108.04479	3.6
109.02885	25.3
109.10143	1.4
111.11723	5.9
115.03972	1.6
117.01844	1.9
119.08598	1.1
127.03922	73.0
129.01852	3.1
135.08026	1.0
135.11684	1.1
145.04967	38.9
145.73111	1.0
147.02890	2.8
151.11147	0.9
159.02884	10.4
159.11659	1.2
165.12912	1.0
189.03928	2.6
193.12392	0.8
213.03941	3.3
219.13745	1.1
231.05013	24.2
231.07262	1.8
237.14900	1.0
245.23621	0.9
249.06049	7.7
283.02451	1.2
287.05688	1.1
311.94150	0.9
315.05035	1.8
341.15723	1.4
394.27347	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50368	0.4
56.96573	0.5
57.94895	0.5
63.99154	0.4
65.03943	4.4
67.05528	0.4
69.88138	1.0
69.88544	1.6
70.27927	0.5
78.10783	0.4
79.05514	0.6
81.07034	0.8
90.64641	0.4
91.05479	2.6
93.03428	3.2
93.07052	1.8
95.01326	0.8
95.04974	0.5
95.08612	0.7
98.20842	0.9
105.07007	0.4
107.04955	0.8
111.39294	0.6
115.05434	0.5
119.04953	4.8
119.08608	0.7
121.02870	3.6
121.05611	0.4
121.06524	1.4
131.01297	6.5
137.02316	0.8
147.04420	23.1
147.08064	0.5
149.02354	100.0
150.02675	2.5
163.03934	1.6
165.05560	0.7
167.03416	98.1
168.03763	1.2
189.05470	4.3
191.07042	0.8
215.07127	0.8
225.25409	0.4
231.10158	0.8
255.10054	0.8
257.08090	0.8
269.08115	62.5
270.08398	1.5
273.11218	4.1
273.14243	0.6
291.12186	1.6
307.09558	0.8
309.11279	2.6
365.13992	0.8
393.20786	9.9
393.25772	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	43.7
69.07058	30.7
70.06583	49.0
77.59994	17.6
81.07063	49.7
83.08578	19.6
84.08122	65.5
85.02901	43.8
93.07072	36.9
95.04990	30.4
95.08624	44.6
97.03687	20.2
98.05132	18.5
98.85238	23.0
98.97550	29.7
99.08071	27.8
105.07050	24.4
107.08575	73.7
109.10171	42.5
119.08585	34.1
120.08130	28.1
121.10100	30.8
133.10129	45.9
135.11710	25.3
147.04459	26.0
167.03305	25.8
177.05504	21.7
177.16386	100.0
293.45657	22.6
300.11426	23.0
313.76102	20.7
325.32065	25.7
393.08850	64.3
393.16254	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	393.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03349	2.7
55.05511	5.6
57.85555	3.0
67.05495	7.6
69.03441	4.7
69.07059	8.5
69.23148	13.1
69.23573	17.6
70.06586	9.0
79.05490	5.6
81.07043	15.3
83.08591	4.7
84.08136	5.7
85.02923	9.4
85.06548	6.9
86.09687	13.1
91.05476	8.0
93.07034	12.0
95.04975	4.9
95.08619	18.4
98.97601	7.4
99.04443	3.5
105.07029	8.1
107.08600	16.7
109.10143	13.9
120.08135	6.2
121.10143	16.6
122.06029	5.1
123.11659	4.0
127.03924	3.3
133.10106	6.3
135.11688	4.9
136.07587	5.6
140.54893	2.8
151.11221	3.4
167.03412	3.7
177.05356	2.7
177.16397	25.1
178.93343	3.0
195.17468	15.9
204.08780	5.8
213.18456	4.8
216.08818	100.0
217.09367	4.4
218.10417	7.0
225.06470	13.8
226.07115	5.5
230.10381	9.9
231.19507	8.6
236.73705	3.3
240.08794	55.5
246.09845	6.9
268.08292	3.9
300.10941	54.1
375.14325	7.4
393.09296	9.7
393.15112	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	393.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.6
55.01880	12.2
55.05515	4.6
57.03434	5.2
57.07082	23.7
65.03945	3.2
68.64291	1.8
68.77480	1.6
69.07073	4.4
70.69283	2.5
70.69661	4.4
71.08644	18.8
81.03423	14.1
81.07047	3.7
83.08620	3.9
85.10181	14.3
89.06053	2.6
93.03426	3.6
97.10155	2.1
99.04495	2.0
99.11740	2.8
109.02884	34.4
113.53831	1.5
115.03918	7.8
122.02230	1.6
123.04417	3.5
127.03931	100.0
137.09570	2.0
141.05490	6.0
149.02377	18.0
155.06995	1.9
167.03400	21.3
169.08614	2.7
179.03398	6.4
183.10254	11.4
193.47534	1.5
197.11874	8.1
197.13409	1.9
211.13335	6.2
225.14891	5.2
235.09761	2.5
239.16487	6.3
253.18051	6.6
267.19571	7.6
269.08063	15.3
274.91669	1.7
281.21170	8.3
295.22745	4.8
309.24313	4.3
323.25925	5.3
337.14148	2.1
337.27512	3.6
393.20917	4.4
393.29462	2.3
393.33713	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	393.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52604	0.4
53.00316	0.6
55.05523	0.6
57.09556	0.5
65.03952	4.3
67.05489	0.6
69.07079	4.2
71.08627	0.6
71.26327	1.1
75.64948	0.5
77.75839	0.5
77.97872	0.5
81.03380	0.5
81.07042	0.8
82.64566	0.5
91.05469	0.6
93.03407	2.7
94.80538	0.5
95.08625	0.7
111.11698	0.6
114.25983	0.5
121.02892	3.3
121.06496	1.5
131.01314	4.4
131.04938	1.0
137.02345	5.7
147.04451	1.4
149.02353	100.0
150.02684	1.3
155.01137	0.8
159.04506	0.7
163.03905	1.8
167.03413	67.1
168.03734	0.5
171.08115	0.6
177.05492	0.6
179.03387	1.7
181.06514	0.6
191.07103	0.6
195.08104	0.8
196.75845	0.5
199.07533	3.5
217.08664	1.4
223.07585	0.9
227.07082	3.2
251.07005	1.4
258.67029	0.5
269.08105	63.0
270.08429	1.5
273.14841	2.8
283.09695	2.3
325.14432	1.6
337.14288	2.1
393.20618	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	393.2061
Annotation	Xanthoangelol I
Peak:m/z	Relative Intensity
53.00292	0.4
62.37762	0.4
65.03950	3.5
69.07072	2.3
81.07065	0.4
93.03413	2.3
93.03910	0.4
95.01334	0.5
121.02875	2.3
121.06490	1.0
131.01279	4.2
147.04453	0.8
149.02348	100.0
150.02675	1.2
156.33553	0.4
161.02324	0.6
162.48563	0.4
163.03882	1.9
164.17274	0.5
165.39192	0.4
167.03410	66.6
168.03786	0.9
179.03358	2.8
191.06947	0.5
217.08624	1.8
242.94939	0.4
269.08099	51.2
270.08334	1.1
273.14893	3.9
283.09534	2.3
325.14240	0.8
337.14349	1.9
393.20636	11.3
419.51059	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2062
Annotation	Isocycloglabrol
Peak:m/z	Relative Intensity
55.01873	2.2
55.82852	0.8
56.31488	0.7
65.03944	20.5
68.15540	0.7
68.99796	5.3
69.07075	19.9
69.37006	6.0
72.29486	0.8
74.36863	0.7
79.05511	0.7
80.93157	0.6
91.05482	3.5
93.03414	17.3
95.04951	1.7
97.92677	0.7
103.05476	4.3
103.39281	0.6
104.24218	0.7
105.07023	2.2
107.04987	1.2
107.08597	2.2
108.65064	0.7
109.06551	0.6
110.61867	0.7
111.04465	1.7
114.47305	0.7
117.07047	0.7
119.04950	2.1
119.08629	1.6
121.02878	20.6
123.04427	2.9
124.58548	0.7
128.06265	0.9
129.07022	2.1
131.04945	8.3
133.06508	1.9
135.04454	1.7
135.08066	1.5
137.02344	2.0
139.03935	0.8
145.06499	1.6
147.04437	6.1
147.08072	3.5
149.02354	34.4
149.06015	1.3
151.03920	7.1
152.02277	0.7
152.06146	1.0
157.06519	3.5
159.04440	14.3
161.02327	2.7
161.05981	5.9
163.03877	5.6
165.12645	1.1
167.03410	55.8
167.08618	1.3
170.07304	0.8
171.08069	1.2
173.06012	2.6
173.09642	1.7
175.03915	0.9
175.07547	3.4
177.05516	5.1
179.08585	3.3
182.07291	0.9
185.09677	0.9
193.06371	0.8
195.08058	5.8
197.09645	3.0
198.06812	1.1
199.07532	1.0
203.07034	4.3
205.06798	1.6
205.08614	18.2
207.08099	1.0
211.07602	0.9
213.09108	8.1
215.10699	7.5
221.08099	24.9
227.06876	1.8
231.10269	1.4
235.07574	3.2
239.07048	1.2
251.07191	1.3
263.07065	8.6
267.06595	1.1
269.08191	4.6
281.08118	2.5
295.13251	1.9
313.24130	0.8
318.68829	0.7
319.13275	2.9
325.14407	6.0
337.14365	35.7
338.14658	0.9
393.20618	100.0
394.21002	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	393.2062
Annotation	Xanthoangelol I
Peak:m/z	Relative Intensity
52.50368	0.4
56.96573	0.5
57.94895	0.5
63.99154	0.4
65.03943	4.4
67.05528	0.4
69.88138	1.0
69.88544	1.6
70.27927	0.5
78.10783	0.4
79.05514	0.6
81.07034	0.8
90.64641	0.4
91.05479	2.6
93.03428	3.2
93.07052	1.8
95.01326	0.8
95.04974	0.5
95.08612	0.7
98.20842	0.9
105.07007	0.4
107.04955	0.8
111.39294	0.6
115.05434	0.5
119.04953	4.8
119.08608	0.7
121.02870	3.6
121.05611	0.4
121.06524	1.4
131.01297	6.5
137.02316	0.8
147.04420	23.1
147.08064	0.5
149.02354	100.0
150.02675	2.5
163.03934	1.6
165.05560	0.7
167.03416	98.1
168.03763	1.2
189.05470	4.3
191.07042	0.8
215.07127	0.8
225.25409	0.4
231.10158	0.8
255.10054	0.8
257.08090	0.8
269.08115	62.5
270.08398	1.5
273.11218	4.1
273.14243	0.6
291.12186	1.6
307.09558	0.8
309.11279	2.6
365.13992	0.8
393.20786	9.9
393.25772	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2066
Annotation	Xanthoangelol I
Peak:m/z	Relative Intensity
55.01867	1.3
65.03941	5.0
66.88428	0.8
67.05497	1.5
68.99795	1.8
69.03447	0.8
69.07076	32.0
70.99401	1.7
81.03420	2.2
81.07058	2.1
91.05481	1.3
93.03410	3.4
103.05442	1.5
107.04976	1.5
115.05459	1.3
119.05006	1.1
121.02867	3.9
121.06483	1.4
123.04438	4.3
129.07024	1.1
131.01292	5.3
131.04964	3.0
131.08542	1.1
133.00447	1.0
133.06491	1.8
137.02354	36.7
143.08536	1.2
145.06497	1.8
147.04440	3.8
149.02354	100.0
153.07066	1.3
155.08562	2.0
157.06537	1.6
159.04457	3.9
163.03908	3.1
165.07028	1.8
167.03419	90.7
167.08492	1.5
169.06590	1.1
171.04471	1.0
171.08101	2.3
175.07556	1.1
177.05392	1.8
179.03433	4.3
179.08578	2.1
181.06499	2.2
183.08109	3.9
185.05997	4.2
185.09615	1.6
195.08101	2.0
197.05916	2.3
197.09747	1.5
198.06674	0.9
199.07584	6.0
207.08043	1.7
209.09621	1.0
211.07538	4.7
213.09091	1.0
215.07108	1.4
215.10710	4.0
216.07463	1.6
217.08647	1.7
223.07593	1.2
225.09137	2.7
227.07104	6.3
227.10646	1.8
228.10837	1.0
235.07532	2.2
239.07054	4.5
251.07059	6.8
253.08665	6.1
263.07120	3.3
267.13852	3.1
269.08112	73.8
270.08542	1.6
273.14935	4.0
281.08115	12.9
319.13342	3.3
325.14423	16.6
337.14368	50.1
338.54929	0.9
365.14154	1.2
393.13159	1.7
393.20660	33.8
393.26151	3.8
394.20966	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2059
Annotation	Xanthoangelol I
Peak:m/z	Relative Intensity
51.02360	0.3
53.00306	0.6
55.01884	0.4
65.03939	3.5
69.07066	2.2
69.54043	1.6
69.54441	0.4
80.89838	0.3
81.07052	0.7
85.53852	0.3
88.76991	0.2
93.03409	2.4
95.01331	0.6
98.20781	0.5
102.48679	0.2
119.04948	0.3
121.02865	2.9
121.06527	1.0
131.01303	4.8
133.30507	0.2
135.43787	0.3
147.04434	0.9
149.02348	100.0
150.02721	0.3
151.03891	0.3
163.03928	2.2
167.03409	53.4
168.03723	0.3
175.04056	0.3
177.05501	0.3
189.05507	0.3
191.07030	0.5
217.08487	0.5
227.07237	0.3
231.13953	0.3
235.86478	0.3
269.08096	41.4
270.08502	0.8
273.14865	3.2
283.09644	1.7
321.82397	0.3
325.14392	0.4
337.14410	0.8
393.20615	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	393.2062
Annotation	Xanthoangelol I
Peak:m/z	Relative Intensity
51.12151	0.3
53.97289	0.3
56.04753	0.3
62.02436	0.3
65.03939	3.8
65.46827	0.3
67.05493	0.5
69.07078	2.6
70.93727	0.8
70.94068	0.6
76.03125	0.3
81.07057	0.7
93.03423	2.4
93.07034	0.4
95.08610	0.9
119.08662	0.3
121.02858	2.3
121.06513	1.3
131.01311	4.3
133.96097	0.4
137.02359	0.8
139.41191	0.3
139.61063	0.4
147.04405	1.1
149.02353	100.0
150.02698	0.8
163.03961	2.8
167.03415	57.3
168.03720	0.8
179.03392	2.3
191.07025	0.7
199.07578	0.4
205.08594	0.5
217.08601	1.9
227.07080	0.7
235.09491	0.4
237.86797	0.3
269.08102	50.1
270.08496	1.5
273.14905	3.4
281.08319	0.4
283.09717	2.2
309.10599	0.4
313.13550	0.4
325.14505	0.7
337.14264	1.3
353.15784	0.4
378.13690	0.3
393.20602	11.6
393.35043	0.4
394.20901	0.4
418.31903	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2062
Annotation	Xanthoangelol I
Peak:m/z	Relative Intensity
51.99948	0.5
53.14161	0.6
55.01856	1.7
55.05497	1.2
55.81889	0.5
55.97136	0.6
57.07076	0.6
65.17744	0.5
67.05496	1.5
68.99801	3.1
69.07071	20.1
69.58251	3.5
71.01344	1.1
79.05479	1.3
81.03429	4.1
81.07070	7.6
83.08633	0.7
91.05465	1.6
95.04953	0.8
95.08611	3.3
98.21579	0.9
103.05488	3.3
107.04920	2.5
109.02798	0.6
110.61195	0.5
115.05471	0.7
119.04929	1.7
121.02838	0.9
123.04429	7.3
123.11680	2.3
128.06206	1.4
129.06984	1.0
131.04942	9.1
133.06448	1.9
135.04436	1.5
137.02348	67.9
137.13188	0.7
138.02679	0.7
139.03857	1.0
141.06989	1.1
143.08524	2.1
145.06494	2.0
147.04411	2.4
149.02310	2.3
150.03050	0.6
152.06174	2.0
153.06935	2.1
155.03360	0.7
157.06491	3.6
159.04396	7.0
159.08032	3.1
163.03902	5.9
165.07109	1.4
167.03394	1.1
167.08534	2.6
169.06483	2.6
170.07257	0.7
171.08067	7.8
173.06006	3.9
173.09581	1.8
175.03828	0.8
177.05486	1.0
177.06940	1.5
179.08621	0.6
181.06465	5.2
183.08043	2.4
185.05980	5.7
185.09648	2.5
193.08464	0.7
195.08087	6.1
197.05977	2.2
197.09566	0.7
198.06786	2.1
199.07552	33.4
201.09027	1.2
205.06503	1.8
209.05907	1.2
209.09572	0.8
213.05540	1.3
213.09109	4.4
223.07532	7.6
225.05690	1.3
225.09140	2.9
226.06293	2.8
227.07045	29.7
228.07234	0.6
234.10706	0.6
241.08607	8.2
241.15868	0.9
251.04416	1.1
251.07043	21.2
252.07402	0.9
253.15071	0.6
257.08020	0.9
269.08096	100.0
270.08481	2.6
271.09683	0.6
283.09695	6.9
287.09048	1.4
297.11169	2.9
309.11328	0.9
311.12802	3.6
319.13486	1.0
325.14362	8.1
337.14365	2.8
393.20627	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	393.2062
Annotation	Isocycloglabrol
Peak:m/z	Relative Intensity
53.00325	1.2
55.01867	2.0
60.23615	1.2
64.57644	1.3
67.05492	1.7
68.99789	3.7
69.07072	73.4
70.56006	3.0
81.03401	2.7
91.05492	1.7
98.20792	1.5
101.13267	1.3
115.05447	2.1
123.04467	9.7
131.04927	3.9
135.04410	2.0
137.02345	88.5
143.04929	2.5
145.06500	2.1
147.04370	3.6
149.02318	2.0
153.06996	1.2
155.08530	1.8
157.06483	3.3
159.04448	9.6
163.03903	4.3
165.07002	2.9
167.08580	1.6
171.04408	2.4
171.08055	2.8
173.05991	3.2
179.08536	5.1
181.06505	2.1
183.08070	4.2
185.05965	9.4
185.09586	3.0
187.03899	1.9
193.06645	1.6
195.08057	5.4
197.06044	2.7
197.09683	2.5
199.07538	14.7
201.12721	5.3
207.07977	2.4
209.09576	3.6
210.06720	1.8
211.07547	10.5
213.09111	3.4
215.10683	7.9
223.07585	5.3
225.09109	9.0
225.12529	1.5
227.07069	15.4
227.10669	6.5
235.07565	7.2
236.35712	1.5
239.07062	12.6
241.08446	1.8
251.07085	13.0
253.08598	14.3
257.08054	3.0
263.07071	8.1
267.13794	10.2
269.08096	33.0
281.08084	33.2
283.16928	2.6
295.13287	4.6
319.13248	10.1
325.14365	39.5
337.14355	100.0
338.14645	4.2
381.13358	1.5
393.15866	2.4
393.20673	33.2
394.20847	1.5
399.99432	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2063
Annotation	Isocycloglabrol
Peak:m/z	Relative Intensity
53.00308	0.4
65.03943	16.7
69.61900	2.1
74.33097	0.3
86.51299	0.3
89.92400	0.4
93.03414	11.7
105.03372	0.5
107.01281	0.5
107.04915	0.8
115.81232	0.3
138.04654	0.3
161.02345	18.9
175.03946	0.5
177.05482	0.9
179.03407	100.0
180.03783	1.1
193.04865	0.4
217.08617	42.3
218.08978	0.4
235.09669	18.0
273.14862	2.3
281.08121	17.4
295.13226	0.5
337.14365	26.3
338.14758	0.5
393.20627	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	393.2063
Annotation	Xanthoangelol I
Peak:m/z	Relative Intensity
50.19424	1.2
55.01871	1.9
55.05514	2.6
57.07075	2.2
59.75766	1.2
65.03937	2.5
67.05507	3.7
68.99792	2.2
69.07079	7.3
69.84090	2.5
69.84504	5.0
79.05503	2.7
79.47998	1.4
81.03429	3.7
81.07069	9.2
91.05475	3.0
95.08633	10.1
103.05464	3.0
107.04955	3.8
111.04397	1.5
119.04952	1.6
121.06509	2.0
123.04438	4.9
123.11700	5.6
131.01295	1.8
131.04947	7.0
133.06480	4.7
135.04416	2.4
137.02353	100.0
137.13266	3.0
143.08597	1.8
145.06522	2.6
147.04419	4.9
149.02359	38.4
153.07016	2.5
157.06554	2.8
159.04443	9.3
159.08080	2.7
163.03925	15.2
167.03426	27.7
169.06467	1.9
171.08105	6.6
173.06026	3.5
173.09576	1.8
181.06509	3.6
183.08047	2.8
185.06017	6.6
195.08099	5.2
197.05917	1.4
198.06827	2.9
199.07579	31.8
201.09079	2.1
213.05396	1.5
213.09125	3.5
223.07578	5.9
225.09157	2.8
226.06293	6.1
227.07053	61.1
241.08646	4.2
251.07080	16.5
260.06363	1.4
269.08118	90.2
270.08472	3.1
283.09680	12.6
287.09076	8.8
295.09598	1.5
297.11288	11.7
311.12836	8.1
323.12991	1.9
337.14420	4.7
365.13870	2.3
393.20642	74.3
394.21036	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	393.2064
Annotation	Xanthoangelol I
Peak:m/z	Relative Intensity
53.00304	0.6
65.03944	3.8
67.05515	0.3
69.07059	1.0
70.20804	0.5
70.21150	1.6
93.03416	2.6
119.04910	0.4
121.02882	2.3
121.06520	1.1
131.01314	4.7
149.02356	100.0
150.02661	3.1
151.02890	1.1
163.03914	1.1
167.03418	91.1
168.03795	3.0
169.03879	1.5
177.05472	0.5
179.03426	1.4
191.07031	0.5
203.06955	0.6
217.08528	0.6
227.07219	0.5
258.53992	0.4
269.08115	67.1
270.08450	2.9
271.08810	1.9
273.14767	1.8
337.14532	0.8
347.08517	0.4
383.08118	0.4
393.20654	19.1
393.25861	1.5
394.21072	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99287	0.3
55.05522	0.4
58.71498	0.3
67.05499	0.7
68.83038	0.3
69.03441	0.3
70.31364	0.7
70.31737	1.2
81.07063	0.5
85.02950	0.5
86.09721	0.6
89.06004	0.6
91.05463	0.6
93.07070	0.5
96.51064	0.4
105.07076	0.9
107.08622	0.5
121.17591	0.4
148.62415	0.4
170.08022	0.5
181.30836	0.4
309.03912	0.5
349.12659	0.6
365.14117	0.5
393.18857	100.0
394.19214	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	393.206
Annotation	Xanthoangelol I
Peak:m/z	Relative Intensity
51.38095	0.4
53.00305	0.5
58.19171	0.4
65.03925	2.4
69.07057	1.2
69.77745	1.7
93.03411	1.6
108.22660	0.4
121.02881	2.9
121.06489	1.1
131.01297	3.7
147.04369	1.0
149.02351	100.0
150.02672	1.1
154.04431	0.5
163.03941	1.1
167.03415	53.9
168.03760	1.0
197.13441	0.4
203.07132	0.4
226.92715	0.5
269.08105	63.9
270.08405	1.2
273.14905	3.2
283.09659	1.6
337.14392	0.8
393.20618	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	393.2064
Annotation	Isocycloglabrol
Peak:m/z	Relative Intensity
53.00294	0.4
55.05513	0.4
65.03947	14.1
67.05492	0.4
69.07056	0.7
81.07042	0.8
83.04972	0.8
91.05547	0.3
93.03417	11.2
93.07036	0.4
98.21522	0.7
105.03376	0.4
105.07055	0.4
107.01328	0.4
107.04948	1.0
121.02872	0.7
121.06519	0.3
131.01335	1.7
147.04391	0.7
149.02357	20.9
150.02730	0.6
161.02332	8.5
163.03871	0.4
165.01685	0.3
167.03418	22.0
175.04002	0.4
177.05522	0.7
179.03410	100.0
180.03757	1.1
203.07016	0.4
217.08618	31.0
218.09027	0.7
235.09676	20.9
269.08115	16.8
273.14868	2.8
281.08115	13.4
325.14554	0.4
337.14374	31.9
338.14981	0.7
393.20612	19.7
394.20996	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2062
Annotation	Isocycloglabrol
Peak:m/z	Relative Intensity
53.00303	0.6
62.93433	0.5
65.03944	21.4
69.07074	3.5
69.53033	3.6
70.69441	0.5
81.03466	0.5
91.05497	1.1
93.03409	14.5
105.03400	0.5
107.01227	0.5
107.04958	8.7
114.61716	0.5
119.04939	1.4
130.96071	0.5
137.02321	1.7
143.42386	0.6
147.04414	5.0
149.02345	8.5
150.02682	0.6
157.06447	0.6
161.02341	17.9
165.06960	0.5
167.03400	4.2
171.08046	0.7
175.03870	2.7
179.03400	100.0
180.03755	1.9
183.08047	0.6
185.05922	0.9
192.37793	0.5
199.07544	0.8
217.08609	32.5
218.09047	0.6
235.09656	15.3
239.07054	1.7
251.06969	0.7
253.08551	0.6
263.07053	0.6
267.06577	0.9
268.07278	0.8
269.08090	6.4
273.14935	1.1
281.08084	16.9
283.13107	0.6
288.23480	0.6
324.13458	1.5
325.14499	4.7
337.14359	24.5
338.14780	0.8
393.20612	27.1
394.20731	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1886
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
55.01855	0.6
56.96558	0.8
67.05513	0.6
69.03441	1.1
69.07066	0.9
70.93926	1.0
70.94258	0.6
71.04993	0.4
81.07047	0.9
85.02906	0.9
91.05483	1.2
93.07076	0.6
95.08603	0.9
98.97598	3.1
105.07038	1.5
107.08595	0.6
107.49768	0.5
116.98667	1.2
119.08624	0.5
120.08101	0.5
121.08425	0.4
121.10128	0.8
131.08525	0.6
135.11662	0.6
135.26697	0.5
143.08659	0.6
158.99678	1.0
177.00682	0.6
203.05286	0.8
256.07010	0.5
309.03949	0.7
365.14038	0.8
393.18845	100.0
394.19080	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1699
Annotation	Dicitrinin C
Peak:m/z	Relative Intensity
53.00311	0.5
53.18240	0.4
55.05526	0.4
56.96572	0.6
65.03936	3.8
67.05507	0.8
69.49036	1.3
69.49459	1.0
70.06613	0.5
79.05488	0.4
81.07057	0.4
91.05478	2.2
93.03422	2.5
93.07052	1.0
95.08549	0.6
105.07043	0.5
107.04940	0.8
107.08588	0.6
119.04946	4.3
119.08595	0.5
121.02884	3.2
121.06483	1.8
131.01299	5.2
137.02324	0.5
142.85184	0.4
147.04424	24.1
149.02351	94.4
150.02687	0.7
161.05954	0.5
163.03941	1.3
165.05464	1.2
167.03415	100.0
168.03835	0.8
177.05548	0.5
177.38644	0.4
181.04938	0.4
189.05486	3.4
191.07047	0.4
203.07004	0.6
205.05280	0.4
206.42813	0.4
207.06529	0.4
215.07130	1.2
227.07144	0.5
231.10097	0.5
255.10173	0.9
257.08112	0.9
269.08105	54.3
270.08252	0.6
271.09482	0.4
273.11249	3.2
273.14304	0.7
283.09711	0.4
286.29980	0.4
291.12357	1.6
309.11224	3.3
330.32748	0.9
365.13785	0.5
375.15726	0.7
392.36343	3.2
393.20764	9.0
393.25833	0.5
393.36536	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09416	0.4
53.90264	0.4
56.96570	0.9
57.03434	0.4
60.04544	0.4
67.05513	0.8
69.03429	1.6
69.21906	1.9
69.22323	2.6
70.03074	0.4
73.02960	0.5
74.48252	0.4
81.07040	1.3
83.04966	0.4
83.08595	0.5
85.02934	0.8
85.23639	0.4
91.05494	0.9
93.07095	0.6
95.04974	0.5
95.08622	0.5
97.41348	0.4
97.96812	0.5
98.97623	2.8
99.91512	0.4
105.07033	0.8
107.08586	0.5
109.10153	0.6
116.98631	1.0
119.08593	0.7
120.08089	0.5
131.05014	0.6
158.99753	0.8
167.07019	0.6
203.05258	0.5
245.89713	0.6
272.59427	0.5
309.04025	1.6
347.04565	0.5
348.49313	0.6
393.18881	100.0
394.19278	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19328	0.3
57.01660	0.4
61.73002	0.3
65.03922	0.5
68.05007	1.3
69.16472	0.4
69.40192	3.3
70.06570	1.2
72.08137	0.4
75.04460	0.4
84.08134	0.8
86.09700	0.7
91.05464	1.3
98.20659	0.7
98.97580	0.6
119.04938	0.4
121.02831	1.3
130.04977	1.1
130.93889	0.4
140.03395	0.9
144.05487	0.4
149.02333	1.0
149.04582	0.7
166.07251	0.6
167.03423	0.5
172.06087	0.5
189.06456	1.0
201.06459	1.6
202.07222	1.9
203.06284	0.5
203.07928	1.9
204.08833	7.3
214.07350	0.6
215.08072	1.6
216.08818	100.0
217.09485	3.6
218.10385	5.0
225.06473	11.2
226.07239	3.3
227.07909	1.3
228.08839	1.1
229.09537	0.8
230.10382	9.3
240.08824	54.7
241.09538	2.7
242.06699	0.4
242.10371	0.8
246.09915	7.0
255.09906	0.5
258.09970	3.0
268.08353	4.8
272.11447	3.7
283.09436	1.1
296.05710	0.5
300.10928	51.7
301.11218	1.2
307.06079	0.9
309.07266	1.1
311.08939	1.0
315.12112	0.8
321.07642	0.8
322.08344	1.4
323.08725	0.5
325.07169	0.5
333.13025	2.5
339.08310	0.4
343.11581	2.1
351.08752	0.4
361.12543	5.5
365.10153	3.6
365.14001	0.5
375.09311	0.8
375.14032	4.4
393.09427	9.1
393.15268	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	392.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.5
57.83158	2.5
69.21859	2.4
70.06606	3.6
71.06706	6.3
72.86607	2.6
76.08618	2.6
79.05496	4.1
79.67812	2.7
85.02905	9.3
103.05461	6.0
105.07038	6.6
107.04971	47.3
107.08569	2.6
115.05437	2.9
124.05275	3.0
131.96814	2.6
135.08054	11.6
163.07555	33.5
167.07065	98.3
180.07765	3.7
195.10170	28.9
213.11246	100.0
257.12860	4.4
271.14316	3.6
303.11432	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
57.07059	8.1
61.02925	5.4
67.05523	5.0
69.03418	6.7
69.07055	8.5
71.05017	2.4
71.46626	2.9
79.05499	33.0
81.03412	3.7
81.07059	4.0
83.04977	8.4
85.02912	31.2
91.05478	5.5
93.07052	37.0
95.08580	3.7
97.02908	9.7
97.06525	5.7
105.07030	3.3
107.04977	5.1
107.08614	11.4
109.02901	2.8
120.08102	4.1
121.06487	3.3
121.10205	2.8
121.23436	1.9
125.06014	18.0
125.51327	2.0
127.03928	5.7
130.01781	2.0
131.08514	2.0
133.10127	7.5
135.11705	100.0
139.07553	9.0
145.04919	4.3
149.13284	10.8
153.12701	3.1
156.11392	2.2
177.12779	14.3
195.13820	76.3
233.16647	2.3
293.12106	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	393.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09750	1.2
53.38073	1.3
56.96569	11.9
57.47394	1.6
64.35604	1.6
69.03424	2.8
69.76589	6.9
70.06596	2.1
77.00890	1.5
82.99848	3.3
85.02897	6.1
91.05457	4.9
97.02888	2.3
98.21478	3.0
98.97584	15.6
101.00890	25.4
103.02431	1.6
109.02872	1.6
110.97569	3.5
113.00872	10.9
115.02425	5.6
116.98611	4.7
117.03349	1.8
119.01918	28.6
119.04935	5.8
123.04424	1.5
124.99165	1.4
127.02431	3.2
127.03922	2.3
128.98592	3.4
129.03995	3.0
131.00208	2.0
131.01917	23.2
131.05576	15.5
133.03490	8.3
134.99638	1.6
135.04382	1.5
135.95833	1.6
137.00845	2.3
137.02953	1.8
139.03882	3.1
140.81697	1.4
142.00360	1.7
143.00212	2.9
143.01910	63.6
143.88794	1.4
144.02039	2.2
144.38805	1.3
145.03535	9.9
147.04364	13.1
148.04758	1.7
149.03032	1.8
149.06598	15.2
155.01904	34.3
155.05576	3.3
156.02670	3.4
157.03506	7.0
158.99667	4.0
159.05048	5.3
161.01437	2.2
161.02966	60.9
162.03075	3.1
163.03917	7.7
167.05544	2.3
169.03416	2.8
171.05002	2.1
173.01408	3.0
173.02969	29.5
173.05116	1.7
173.06607	27.4
175.04604	2.2
177.00726	2.7
177.06052	3.3
185.02998	5.2
185.06613	35.2
187.04555	5.0
187.08182	5.3
191.02255	1.9
191.03975	2.1
191.07669	8.0
197.06644	2.2
199.08127	4.0
203.04034	15.4
203.07654	18.9
209.06625	3.0
215.07646	12.3
217.09123	2.6
219.01756	5.2
219.03633	1.8
221.03078	3.0
221.05075	26.3
223.04646	1.9
227.07614	2.7
231.07169	3.9
233.08707	3.3
237.00723	9.4
237.02840	4.1
245.04727	1.7
247.04422	1.6
251.04414	3.9
255.01723	2.0
257.08618	8.3
269.05402	4.8
275.09775	44.6
279.09244	3.9
293.10822	77.6
294.10876	4.0
303.05518	5.2
316.12308	1.9
334.81256	1.8
375.11542	20.9
376.12411	1.5
393.12604	100.0
394.12558	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	391.2328
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
53.03936	4.1
55.01898	3.1
55.05508	5.6
57.07071	3.5
57.09227	2.9
64.13137	3.0
67.05498	8.8
69.03433	9.7
69.07076	7.4
69.45261	6.4
69.45683	17.2
70.06589	13.3
71.05003	5.1
79.05486	5.0
81.07063	20.1
83.04989	4.7
85.02912	8.8
85.06511	6.1
86.09730	16.6
90.11678	2.9
91.05486	9.3
93.07050	18.4
95.08604	16.8
97.43914	3.0
99.08097	12.2
105.07006	8.7
107.08597	13.8
109.10151	19.9
110.85413	3.1
119.04956	3.4
119.08592	18.0
121.02876	14.3
121.10133	8.9
123.08130	3.7
125.09620	13.9
129.10207	3.7
130.06549	3.6
133.10144	46.1
135.11708	30.3
137.09631	4.9
149.02357	17.5
149.05865	3.2
149.09550	2.9
149.13339	3.2
151.11198	4.7
157.07568	3.2
175.14807	32.9
189.01791	5.2
193.15886	44.0
194.16188	3.8
211.16893	11.5
217.04924	5.4
227.03575	4.5
229.18005	60.0
245.04503	5.4
273.04053	3.5
294.05185	8.3
295.06055	8.1
307.06061	17.1
307.09152	3.6
313.11823	4.5
319.06168	4.0
320.07013	4.3
321.07602	7.4
333.07605	6.0
334.08401	4.8
335.09106	10.4
337.06973	8.1
345.07480	7.6
363.08768	14.9
373.06946	7.3
391.08112	100.0
391.19043	9.1
392.08585	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	392.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.9
56.05027	0.9
56.96553	1.2
61.02924	1.9
67.05481	0.8
69.03421	3.5
70.06604	5.4
70.89384	1.8
72.08149	1.7
79.05494	5.0
81.03420	1.4
84.04498	1.1
84.08148	1.3
85.02913	9.5
86.09711	3.7
86.24361	0.9
91.05484	2.5
93.07053	0.9
95.04956	2.1
97.02888	2.3
103.05495	4.7
105.07034	3.7
107.04964	38.1
109.02885	0.9
115.05498	2.9
116.07143	1.2
117.07027	1.2
119.04922	1.4
120.08140	1.7
121.02871	2.4
123.04465	1.5
124.05218	1.6
127.03927	1.2
131.04895	1.4
135.08063	11.7
145.07541	1.5
147.04402	0.9
149.02400	1.1
149.06007	1.0
150.02684	1.3
152.04752	0.9
154.06241	1.4
163.06152	1.3
163.07555	34.8
167.07054	91.5
168.07401	1.2
175.65950	1.0
177.05457	1.4
180.07809	2.9
181.08607	1.9
195.10178	37.9
213.11229	100.0
214.11543	1.5
216.08792	3.2
224.47853	0.9
240.08762	1.4
275.00827	0.9
283.05576	0.9
296.06287	1.8
300.10928	2.8
308.06393	2.1
336.09583	1.0
364.08832	1.0
392.08469	12.7
393.09360	2.5
393.20886	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1907
Annotation	Lespeol
Peak:m/z	Relative Intensity
53.00315	0.5
55.01874	0.3
55.05512	0.3
64.54941	0.2
65.03943	4.4
67.05510	1.1
69.07059	0.7
70.74323	0.5
79.05473	0.6
81.07070	1.6
91.05490	0.6
93.02883	0.3
93.03417	2.8
93.07042	0.9
95.01286	0.4
95.08606	0.5
103.01843	0.4
105.07034	0.3
106.60489	0.2
106.69484	0.2
107.04964	0.3
107.08604	1.0
109.10157	1.9
111.04465	0.3
119.04921	0.5
121.02876	2.9
121.03773	0.3
121.06487	1.0
123.11723	2.4
131.01305	5.1
135.11719	2.1
135.66370	0.2
137.02359	0.3
147.04440	1.4
149.02354	100.0
150.02698	1.5
151.03893	0.4
161.02327	0.3
163.03914	3.0
167.03415	59.4
168.03770	0.9
175.03941	0.7
177.05423	0.2
187.03946	0.3
189.05508	0.5
191.07060	0.7
203.07118	0.4
206.93440	0.2
215.06979	1.4
224.23630	0.2
227.07092	0.2
229.08638	0.2
269.08112	48.1
270.08450	1.6
271.13318	6.4
281.08121	0.4
283.09732	0.5
311.12970	0.4
321.11456	0.2
335.12750	0.7
360.29361	0.2
391.19058	8.3
392.19348	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1906
Annotation	Fulvinervin A
Peak:m/z	Relative Intensity
53.03938	0.7
55.01852	1.0
65.03925	0.5
67.05499	0.6
69.03428	0.4
69.07053	0.9
69.81628	0.5
69.82047	1.4
79.01852	0.8
79.05505	2.1
81.03397	0.9
81.07070	0.4
81.26613	0.3
89.07468	0.3
91.05489	14.3
93.07053	2.7
95.01319	0.5
95.04978	0.3
95.08619	0.6
97.02868	0.4
103.05428	0.8
105.07018	1.6
107.01317	1.8
107.04961	3.3
109.02877	0.5
109.06510	0.4
115.05445	3.2
116.06245	3.3
117.07025	3.1
119.04949	3.1
119.07797	0.6
119.08590	8.0
121.06476	0.4
128.06216	6.1
129.07011	3.5
131.04909	1.2
131.07588	0.6
131.08572	13.0
132.05682	0.4
133.02811	0.6
133.06506	1.6
135.04430	1.4
141.06990	5.6
143.08566	1.6
144.05707	4.3
145.06491	2.9
147.04419	4.2
147.08066	2.9
149.02361	3.1
153.05440	0.5
155.06026	0.5
157.06483	0.5
159.04431	2.2
159.08063	14.2
160.08429	0.3
161.02336	0.7
161.05981	2.8
163.03894	0.3
167.03416	1.8
169.06461	5.5
169.07693	0.9
170.07143	0.3
171.08057	1.1
172.05200	1.8
173.02396	0.6
173.05986	2.3
179.03366	0.8
187.07550	23.0
188.07922	0.5
191.03423	0.4
197.06001	6.1
200.04669	1.1
203.07048	1.2
205.08606	0.8
215.07033	38.3
216.07382	0.6
233.08090	100.0
234.08366	2.1
267.09012	0.4
269.08099	1.2
271.13297	28.2
272.13617	0.7
285.10257	0.4
302.46561	0.3
303.11047	0.3
317.11700	0.8
323.12903	0.5
335.12787	55.4
336.13095	2.1
342.35132	0.3
391.19046	23.6
392.19339	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1907
Annotation	Fulvinervin A
Peak:m/z	Relative Intensity
51.02360	0.3
53.03941	0.5
55.01844	1.0
55.05493	0.3
56.96526	0.5
65.03905	1.0
67.05479	0.8
69.03392	0.7
69.07035	0.8
69.57305	1.7
77.03915	0.4
79.01822	0.7
79.05139	0.2
79.05487	2.6
81.03387	1.0
81.07025	0.9
91.05484	12.6
93.07037	2.5
95.01324	0.3
95.04954	0.6
95.08536	0.4
98.20789	0.5
103.05440	1.0
105.03352	0.4
105.07045	1.7
107.01324	1.5
107.04949	3.4
107.08515	0.4
109.06502	0.5
109.10130	0.5
115.05464	3.0
116.06257	2.4
117.07026	2.4
119.04951	2.1
119.05730	0.4
119.08585	6.3
121.06464	0.4
123.04438	0.5
123.11673	0.7
128.06229	6.7
129.07004	3.5
130.26549	0.2
131.04895	0.8
131.08571	13.2
132.05750	0.4
133.06534	1.3
135.04370	1.1
135.08022	0.2
135.11768	0.3
137.02336	3.6
141.06996	4.6
143.08524	1.2
144.05702	4.7
145.06480	2.9
147.04422	4.0
147.08061	3.4
147.11562	0.3
149.02348	2.6
151.03841	0.3
152.06133	0.3
153.05450	0.7
155.06001	0.9
155.08525	0.4
157.06519	0.5
159.04456	2.8
159.08057	13.2
161.02318	0.5
161.05971	1.1
163.03885	0.5
167.03345	1.5
168.08823	0.3
169.06476	4.1
169.07690	0.4
170.07213	0.3
171.08080	1.6
172.05200	1.9
173.02344	0.3
173.06007	2.3
175.03917	0.4
179.03348	0.4
183.07971	0.5
184.14006	0.2
185.06041	0.6
187.07542	23.8
188.07828	0.5
191.03328	0.2
195.08113	0.4
197.05984	2.9
199.07549	1.4
200.04697	0.8
203.07011	0.8
205.08653	0.9
213.05217	0.3
215.07022	23.4
216.07428	0.3
223.07649	0.3
226.06334	0.3
227.07016	1.1
233.08084	100.0
234.08392	1.8
241.08600	0.3
251.07036	0.9
256.09518	0.3
259.76120	0.3
267.08841	0.3
269.08096	2.7
271.13293	27.9
272.13663	0.9
289.08987	0.3
317.11755	0.6
323.12994	0.6
335.12775	53.5
336.13037	1.4
391.19098	26.5
391.24576	2.3
392.19461	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1903
Annotation	Lespeol
Peak:m/z	Relative Intensity
50.40974	0.5
53.00305	0.7
54.59586	0.6
55.01868	0.7
65.03941	3.5
67.05502	1.2
69.07043	0.6
69.53368	3.5
81.07047	1.7
88.81587	0.6
91.05474	1.7
93.03407	2.8
93.07025	0.7
107.08580	0.9
109.10158	2.4
119.04921	0.8
121.02876	3.1
121.06506	1.0
128.06215	0.8
131.01277	4.8
131.08531	1.2
146.33812	0.6
147.04382	1.9
148.03571	0.6
149.02345	100.0
159.08073	0.8
163.03914	1.9
166.88383	0.6
167.03403	58.2
173.05846	0.6
187.07581	1.7
189.05460	1.9
191.07037	1.8
203.07074	1.7
205.98946	0.6
213.77623	0.6
215.06955	2.8
222.35738	0.7
222.37938	0.6
227.06943	0.7
233.08093	7.2
269.08093	73.1
270.08459	1.5
271.13336	8.9
292.19940	0.6
309.11224	3.1
311.12744	1.7
323.12848	1.7
335.12784	6.9
359.97049	0.6
391.19070	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	391.1906
Annotation	Lespeol
Peak:m/z	Relative Intensity
54.70468	0.7
56.81829	0.6
62.15054	0.6
65.03938	4.3
66.97239	0.6
67.05511	5.9
69.03435	1.1
69.07076	5.0
69.54065	3.3
79.05489	2.7
81.07063	15.3
91.05497	2.2
92.18595	0.7
93.03423	2.7
93.07057	3.3
95.08627	1.2
107.08591	2.4
109.10162	10.1
119.04957	3.1
121.02886	3.4
121.06500	2.3
123.00740	1.0
123.11710	1.1
131.01292	4.6
135.11711	1.2
137.02391	1.5
140.04147	0.6
147.04434	6.7
149.02356	100.0
150.02652	1.4
161.02385	1.0
161.05936	0.7
163.03937	12.6
167.03418	77.8
168.03879	1.0
175.03888	3.0
177.05508	2.5
181.05014	0.6
185.06107	0.7
187.03926	1.2
187.07552	0.7
189.05478	3.8
191.03424	0.9
191.07059	16.1
197.05933	0.6
201.05534	0.9
203.07068	6.8
215.07045	17.7
227.06920	0.7
229.08690	2.1
257.08121	1.4
267.06543	1.7
269.08115	41.1
270.08627	1.0
271.13324	25.1
272.13910	0.9
283.09625	3.3
295.09769	1.0
297.11261	1.2
301.35193	0.7
309.11325	2.2
311.12817	10.1
323.12610	1.4
335.12836	7.1
359.16006	0.7
365.70291	0.7
391.19080	36.6
392.19479	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1906
Annotation	Anthyllisone
Peak:m/z	Relative Intensity
53.03933	1.0
54.81751	0.6
55.01871	3.1
55.05507	2.0
57.07072	1.1
57.71975	0.7
64.03262	0.7
65.03939	1.3
67.05507	8.4
68.99801	4.2
69.07069	5.7
70.99066	1.0
70.99398	0.8
71.01353	2.8
78.22838	0.7
79.05497	4.0
81.03423	5.6
81.07059	17.2
91.05470	5.2
93.07044	4.8
95.05035	1.6
95.08617	2.9
97.02937	1.0
103.05473	6.0
105.07043	2.3
107.04940	3.8
107.08589	3.6
109.02869	0.9
109.10162	19.2
115.05451	1.1
117.07006	1.4
119.04919	3.7
120.05746	1.9
121.02871	1.6
121.10155	2.4
123.04433	9.9
123.11711	23.1
127.03993	1.0
128.06212	2.7
129.07011	1.6
131.04933	12.4
131.08565	0.9
133.06499	2.0
135.04439	1.9
135.11681	2.9
137.02345	100.0
138.02718	1.0
139.03917	1.1
141.06955	1.8
143.08586	3.5
144.05762	0.9
145.06529	2.3
145.10179	1.4
147.04399	4.1
149.02339	6.5
152.06239	2.2
153.07019	2.8
155.08534	1.5
157.06470	5.2
159.04427	8.8
159.08063	3.1
163.03891	5.7
165.07042	3.8
166.07658	0.9
167.03482	2.3
167.08571	5.6
167.97543	0.7
169.06494	3.9
171.08046	10.4
173.06001	3.0
173.09612	2.1
176.04724	0.9
176.06235	0.9
177.05556	1.0
177.06941	1.6
178.07747	0.9
179.08633	1.4
181.06451	7.1
181.07718	0.8
182.07321	0.8
183.08070	5.9
184.05193	1.0
185.06012	8.0
185.09613	2.1
195.08070	11.7
197.05959	4.0
197.09677	1.7
198.06801	3.6
199.07553	41.4
201.09111	1.7
205.06528	2.1
209.06026	1.9
210.06808	1.0
211.07530	2.1
213.05505	2.7
213.09146	8.1
215.07111	1.1
222.06795	1.2
223.07553	11.3
225.05551	1.2
225.09158	3.8
226.06276	4.4
227.07036	35.8
234.06874	0.8
239.14328	4.4
241.08583	10.3
250.06462	1.1
251.07053	26.3
252.07536	0.9
253.15668	1.0
257.08194	0.9
267.06573	0.7
269.08099	87.8
270.08487	1.4
270.12701	0.8
281.08121	2.0
281.15240	1.9
283.09741	4.5
287.09332	0.9
289.08792	0.8
291.10147	5.1
293.08194	1.7
297.11368	1.6
300.75754	0.7
303.10336	1.2
307.09784	1.2
309.11426	3.4
311.12872	4.1
317.11734	1.0
321.11136	1.3
323.12793	4.3
335.12891	11.1
335.16696	1.5
349.14441	1.7
373.18192	0.9
391.19067	35.6
392.19287	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1905
Annotation	Anthyllisone
Peak:m/z	Relative Intensity
53.03941	1.2
55.01868	1.8
55.05511	2.4
56.96553	0.8
57.07074	0.8
65.03944	0.8
67.05510	5.8
68.99794	3.3
69.03413	0.6
69.07075	5.5
69.43638	3.4
71.01353	0.8
73.20800	0.4
77.03935	0.6
79.05478	2.8
81.03427	5.2
81.07059	8.2
83.08626	1.1
85.02874	0.5
91.05494	2.9
91.41313	0.4
93.07050	5.3
95.04996	1.1
95.08058	0.5
95.08617	5.4
96.02086	0.4
97.10182	0.7
98.20774	0.8
103.05499	3.4
105.07038	2.5
107.04993	2.4
107.08598	4.2
109.02925	0.7
109.10167	10.5
111.04456	1.2
115.05458	1.3
117.07062	0.5
119.04962	1.8
119.08604	0.9
120.05730	0.5
121.02876	1.1
121.06545	1.0
121.10152	4.5
123.04443	10.3
123.11715	12.9
128.06239	1.8
129.07014	1.9
131.04944	6.4
131.08545	1.0
132.05716	0.7
133.06491	1.8
135.04431	1.1
135.11725	2.8
137.02347	100.0
137.05981	1.4
138.02695	1.2
139.03917	1.6
141.06993	1.5
142.07756	0.7
143.08588	1.5
144.05673	1.2
145.06467	2.3
145.10190	0.6
147.04446	3.1
149.02348	5.0
149.06091	0.5
152.06204	1.2
153.07022	1.9
155.03389	1.7
155.08549	1.0
157.06511	4.8
157.10222	0.5
157.18442	0.4
158.07243	2.6
159.04439	5.5
159.08072	2.2
160.05202	0.5
161.06004	1.7
163.03922	6.7
165.05563	0.9
165.07040	1.8
166.44745	0.4
167.03445	1.7
167.08641	2.2
169.06445	3.3
170.07281	0.7
171.04314	0.5
171.08072	7.9
173.05962	2.9
173.09622	1.5
175.03937	0.8
177.05516	1.0
177.06975	0.8
179.08669	1.2
181.06512	5.1
182.07166	0.8
183.04379	0.8
183.08083	3.7
184.05319	1.0
185.05998	6.4
185.07524	0.8
185.09633	1.4
187.07483	0.6
190.89105	0.4
193.10017	0.5
195.08020	5.8
197.06003	4.8
197.09615	2.1
198.06787	2.5
199.07553	26.8
201.09116	0.6
205.06508	1.0
206.07294	0.5
207.08060	1.1
209.05983	1.5
209.09656	0.8
211.07576	1.7
211.11162	0.9
213.05501	1.8
213.09146	4.6
213.12779	0.5
215.06993	0.6
221.09599	1.0
222.06770	0.5
223.07552	6.7
224.08235	0.5
224.11996	0.6
225.05592	0.9
225.09161	3.8
226.06252	2.2
227.07037	22.0
233.09732	0.6
237.09125	1.1
239.07050	0.7
239.10698	0.6
239.14334	5.9
241.08635	6.5
245.93680	0.5
248.12025	0.6
250.06320	0.5
251.07063	16.5
252.07538	0.9
253.16127	0.5
255.17485	0.7
257.07980	0.5
263.14313	1.9
265.08652	1.7
269.08105	45.6
270.08447	1.4
271.09613	0.8
281.08044	1.4
281.15329	3.1
283.09668	3.8
287.08939	0.6
289.08725	0.5
291.10022	0.5
293.08215	2.7
295.09543	1.5
297.11374	1.6
303.10321	0.8
307.09686	10.4
307.13184	1.0
309.11258	1.9
311.12866	0.9
317.11777	0.8
321.11255	1.8
323.12799	1.2
335.12857	3.9
349.14368	1.0
363.19522	1.8
373.17950	3.5
391.19058	51.2
392.19376	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
55.05515	8.4
56.96562	3.5
61.02912	2.1
65.03942	2.8
67.05502	6.9
69.03426	3.2
69.07067	5.1
71.04995	5.0
79.05490	7.7
81.03459	2.2
81.07054	13.4
85.02911	8.1
85.06569	2.3
86.09689	2.3
91.05489	6.6
93.07075	14.3
95.08588	11.5
97.02889	3.8
97.06554	2.5
98.97585	3.2
99.08152	2.3
100.11259	7.0
103.05489	2.0
105.07050	13.5
107.05000	2.2
107.08607	24.9
109.06546	2.6
109.10171	6.1
119.08595	27.3
120.08141	2.4
121.06545	2.2
121.10144	4.9
122.10432	2.0
123.11811	4.1
127.03952	1.9
133.10143	55.3
135.11710	52.9
137.05995	4.5
137.09673	2.0
138.06456	1.9
138.75586	1.7
145.10083	2.5
147.11729	3.8
167.07178	2.1
173.13203	1.7
175.14842	100.0
181.05003	2.2
182.15425	2.5
193.12242	2.3
193.15887	46.8
194.94644	1.7
209.08209	2.6
210.08379	1.8
211.16936	29.2
233.97844	1.9
248.10458	1.7
327.97650	1.6
331.59421	1.9
390.15433	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	391.158
Annotation	Chidamide
Peak:m/z	Relative Intensity
56.96553	0.7
57.07056	0.6
69.03432	1.1
70.06597	1.3
71.55471	0.5
73.02901	0.5
77.86059	0.4
79.05483	0.6
84.08159	2.0
85.02936	1.0
85.52756	0.4
86.09715	1.5
91.05476	0.6
93.07066	0.4
97.02901	0.7
98.97585	1.4
101.00892	0.5
105.07074	0.4
108.50448	0.4
110.07166	0.5
111.23357	0.3
115.60583	0.4
116.98609	0.6
117.37631	0.4
119.01910	0.5
120.08127	1.5
121.02920	0.7
121.10101	0.5
123.04376	0.5
127.02383	0.5
129.10210	0.7
132.04463	0.5
136.06227	0.4
137.05965	0.8
139.03885	0.5
145.03496	0.5
147.04399	0.9
149.02332	4.5
155.01917	0.5
165.09128	0.9
166.09538	0.6
167.03326	0.5
167.07025	1.0
173.02933	0.6
177.00642	0.5
197.07556	0.4
221.43336	0.4
259.06015	0.7
277.11472	0.8
361.13623	0.7
391.15729	100.0
392.16025	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1906
Annotation	Lespeol
Peak:m/z	Relative Intensity
53.00310	0.7
55.05503	0.4
56.96576	0.6
65.03941	4.5
67.05514	3.8
69.07065	2.7
70.00121	1.6
71.67568	0.3
72.07097	0.4
77.59522	0.3
79.05496	1.4
79.61233	0.4
81.07059	5.1
82.29217	0.4
91.05491	1.9
93.03405	3.9
93.07056	2.9
95.01295	0.4
95.04989	0.5
95.08601	0.6
98.21380	0.5
105.07041	0.7
107.08605	1.4
109.10171	5.2
117.07021	0.4
119.04953	1.7
119.08626	0.5
121.02897	3.8
121.06506	1.6
121.10179	0.3
123.11714	0.8
129.07063	0.5
130.54544	0.4
131.01292	5.6
131.08582	0.7
133.06535	0.6
135.11676	1.9
137.02415	0.5
147.04405	3.2
147.08035	0.5
149.02351	100.0
150.02699	0.9
151.03928	0.4
159.08072	0.8
161.02374	0.9
161.06012	0.9
163.03917	4.7
166.89465	0.4
167.03413	82.4
168.03770	0.6
169.06471	0.8
173.02321	0.5
175.03941	0.7
177.05460	0.7
181.05031	0.6
187.03961	0.7
187.07571	1.3
189.05478	2.0
191.03441	0.5
191.07011	3.8
197.06100	0.9
201.05536	0.5
203.07047	4.9
215.07036	10.3
215.09096	0.5
227.06836	0.4
233.08107	4.3
267.08908	0.5
269.08112	49.1
270.08386	0.8
271.13297	9.2
271.16022	0.8
278.19543	0.4
283.09647	1.6
309.11166	1.3
311.12753	2.3
323.12686	1.7
335.12793	5.6
391.14114	0.6
391.19159	8.7
391.24579	1.6
391.35983	0.9
392.18887	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2174
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01865	16.5
55.05508	16.4
57.03438	7.6
67.05489	11.0
67.30861	6.8
69.03423	11.9
69.07064	14.8
70.06579	8.7
70.95016	14.5
71.04998	14.6
79.05484	9.3
81.07040	14.8
85.02900	25.8
85.06575	11.0
86.09678	22.6
91.05484	13.6
93.07049	19.4
95.04984	37.7
95.08604	10.4
97.02895	7.8
97.06521	11.0
98.97601	11.6
99.04456	35.8
99.08047	7.9
103.05489	7.7
105.07049	10.0
107.04948	7.7
107.08603	13.1
109.06508	10.2
109.10152	19.2
119.08500	7.3
121.10172	16.5
123.08028	13.7
127.03938	12.4
129.06995	8.4
131.04953	8.8
131.08566	8.0
133.10132	46.4
135.11679	9.9
137.05981	13.3
151.11150	8.6
153.09106	14.2
163.03967	7.7
167.07091	13.6
173.13130	14.8
173.74106	6.5
177.05484	11.4
181.05008	27.8
188.47084	6.8
191.14299	21.5
192.92593	8.1
209.08034	13.6
209.15405	50.1
219.28386	6.5
227.16431	28.2
237.10275	17.5
251.08087	6.6
265.09769	19.2
267.11319	8.1
279.07800	10.8
293.09177	30.5
297.08740	20.1
311.10327	8.2
318.56186	8.0
321.08609	15.0
339.09717	46.2
339.76559	7.9
345.14957	8.0
357.10596	7.8
371.12164	8.7
389.06522	10.0
389.13644	79.0
389.17758	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34610	1.2
53.32278	1.2
54.91945	1.2
56.96571	1.4
62.63861	1.1
63.21510	1.1
65.27448	1.2
70.29644	1.2
71.53865	2.7
73.64062	1.2
79.05509	2.3
81.57030	1.4
84.04509	1.8
85.02863	1.3
86.09723	1.7
89.03930	9.4
95.05044	1.3
97.02832	1.4
98.97559	2.4
105.07048	1.6
107.04953	4.1
115.57609	1.2
117.03403	11.0
135.04433	19.7
139.03987	1.3
145.02872	15.2
147.04420	1.7
151.03932	1.4
163.03923	100.0
164.04279	2.0
177.05496	2.0
228.12354	1.3
279.45581	1.2
283.21002	1.5
320.35205	1.3
358.86417	1.4
390.18259	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	390.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	2.5
70.06583	2.3
71.54893	1.5
72.08163	2.6
79.05490	2.2
79.77620	1.5
84.04518	3.1
84.08114	1.7
85.02918	3.5
86.09711	4.7
88.61723	1.2
89.03914	11.3
91.05448	3.4
98.97576	6.0
107.04969	2.9
116.98631	3.0
117.03384	12.5
119.04963	5.8
124.03935	6.8
135.04427	22.6
137.05965	2.0
139.03859	1.7
140.07062	2.8
145.02859	14.1
147.04431	13.4
148.06068	3.0
154.82266	1.6
158.99655	2.4
160.02835	3.4
161.05925	1.3
163.03923	100.0
177.05444	2.1
178.03894	5.0
196.04837	1.8
201.00592	1.8
210.07512	1.3
219.01865	1.6
228.05405	3.3
228.08690	4.9
228.12312	3.3
246.06526	5.9
270.06406	1.4
390.10727	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	390.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42762	1.9
55.05502	2.8
57.07058	1.9
59.05023	2.3
61.89542	1.7
66.99315	1.7
67.05502	8.8
69.03429	4.8
69.07067	4.0
69.52078	1.9
70.06593	5.5
74.72143	1.6
79.05486	5.0
81.07069	8.5
83.39701	1.8
84.08165	2.1
85.02920	5.1
85.06549	10.5
86.09710	5.4
91.05481	2.4
91.58500	2.0
93.07070	9.7
95.04937	3.7
95.08609	8.8
97.06553	1.9
98.97607	2.9
99.04460	3.6
99.08102	100.0
105.07074	3.9
107.08584	8.4
109.06501	2.4
109.10163	17.4
111.08110	2.0
116.98610	2.5
119.08571	4.8
121.02897	3.1
121.06506	2.1
121.10217	2.1
123.08086	3.4
123.11677	2.3
130.06564	1.9
133.10149	20.4
134.10532	2.1
135.11690	11.6
137.09625	3.8
145.04936	2.1
147.08064	3.0
151.11224	3.5
165.09169	2.3
172.87129	1.6
175.14856	5.3
193.15897	80.0
195.07770	2.2
210.15628	3.4
227.08847	11.1
227.12485	2.3
228.09285	12.7
229.11931	2.4
237.02754	2.2
259.11139	2.3
295.06134	3.5
307.06067	5.4
363.08517	2.1
389.15033	2.7
390.14355	2.7
391.08109	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	389.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.5
56.96567	0.4
59.60829	0.4
67.05499	0.4
69.03433	0.8
69.07066	0.7
70.06594	0.7
70.80018	0.4
71.04997	0.5
71.33143	0.6
72.08170	0.5
74.06019	0.3
79.05499	0.5
81.07070	0.7
84.04544	0.3
84.08151	0.6
85.02924	2.0
85.06531	0.4
86.09720	3.6
91.05491	6.0
95.04991	1.9
96.08140	0.6
96.12985	0.4
97.02892	0.6
98.97601	0.9
99.04449	1.0
105.07163	0.4
107.08629	0.6
109.10185	1.1
121.10211	0.7
124.07628	3.7
133.10146	2.3
139.07547	0.6
151.11182	0.5
153.09105	0.9
153.12746	0.6
154.80876	0.4
167.07040	0.5
173.13303	0.5
189.32515	0.3
191.14296	1.1
209.15408	2.4
219.13480	0.6
227.12671	3.8
227.16364	0.4
269.10645	0.5
293.08093	0.7
301.06125	0.5
301.74307	0.4
323.09235	0.6
353.10205	0.6
371.16916	0.7
389.17871	100.0
390.18011	2.3
402.25842	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.5
56.96567	0.4
59.60829	0.4
67.05499	0.4
69.03433	0.8
69.07066	0.7
70.06594	0.7
70.80018	0.4
71.04997	0.5
71.33143	0.6
72.08170	0.5
74.06019	0.3
79.05499	0.5
81.07070	0.7
84.04544	0.3
84.08151	0.6
85.02924	2.0
85.06531	0.4
86.09720	3.6
91.05491	6.0
95.04991	1.9
96.08140	0.6
96.12985	0.4
97.02892	0.6
98.97601	0.9
99.04449	1.0
105.07163	0.4
107.08629	0.6
109.10185	1.1
121.10211	0.7
124.07628	3.7
133.10146	2.3
139.07547	0.6
151.11182	0.5
153.09105	0.9
153.12746	0.6
154.80876	0.4
167.07040	0.5
173.13303	0.5
189.32515	0.3
191.14296	1.1
209.15408	2.4
219.13480	0.6
227.12671	3.8
227.16364	0.4
269.10645	0.5
293.08093	0.7
301.06125	0.5
301.74307	0.4
323.09235	0.6
353.10205	0.6
371.16916	0.7
389.17871	100.0
390.18011	2.3
402.25842	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91099	2.0
53.03944	2.0
54.01241	1.7
57.01800	2.0
57.03409	2.2
61.02939	2.1
67.05495	4.7
69.03432	6.5
69.70954	10.0
71.04984	3.9
73.73017	2.1
79.29186	1.8
81.03422	2.1
81.07062	4.7
85.02917	15.3
85.06548	5.3
86.09721	5.8
91.05489	3.1
93.07038	7.7
95.04975	46.6
95.08615	4.6
97.02889	4.6
97.06529	4.6
99.04465	15.2
99.08078	3.7
101.92029	1.7
105.07022	4.7
107.08601	11.5
109.06579	2.7
109.10162	23.2
115.07565	3.5
116.99457	2.0
119.08590	2.9
121.10172	5.1
123.11720	7.7
131.08583	4.4
133.10133	41.6
139.11238	2.5
149.13251	4.0
151.11215	8.4
153.09125	19.1
169.12257	5.3
173.13252	15.3
187.68254	1.9
188.99620	1.9
191.14337	23.6
209.15363	36.1
227.12637	3.1
227.16463	7.0
302.92950	2.2
357.10617	2.0
389.17865	100.0
389.33591	2.0
390.18228	2.5
390.72296	2.1
402.57431	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	389.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.9
55.01876	0.6
55.05500	0.6
56.96548	0.9
62.32561	0.4
65.03948	4.2
67.05484	1.3
69.07047	0.5
70.48154	0.4
73.82357	0.4
79.05489	1.7
80.27094	0.5
85.02881	0.6
91.05497	4.2
93.03407	3.6
93.07037	1.4
95.01324	1.1
95.04940	0.7
95.08581	0.7
97.02894	0.6
98.97589	0.8
105.07048	4.3
107.04928	0.8
107.08606	7.7
109.06521	0.8
109.10118	0.6
119.04976	2.2
121.02869	3.8
121.06517	1.4
121.10169	2.2
127.94202	0.5
128.06297	0.5
131.01295	5.7
131.08577	0.6
133.10146	8.3
145.10147	0.5
147.04407	5.3
149.02348	90.0
150.02731	0.7
163.03905	10.9
167.03410	100.0
168.03719	1.4
175.03955	1.0
177.05441	1.0
181.04944	1.1
189.05455	3.8
193.13675	0.5
215.04459	0.8
227.07030	2.8
228.99922	0.6
229.02217	0.6
237.02867	0.5
241.08621	1.0
269.08121	62.2
269.11624	8.8
270.08450	2.1
283.09769	3.2
309.11111	2.2
328.34293	0.5
333.08487	0.7
347.12909	1.5
389.17487	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	389.16
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
51.39141	1.1
53.03938	2.5
55.01877	42.9
55.05522	2.3
64.73771	1.1
65.03946	11.7
67.05503	5.6
69.03433	2.4
69.21614	2.8
69.22024	11.3
74.50586	1.3
79.05499	5.3
81.07060	2.8
82.04212	4.5
85.02911	8.7
85.88511	1.3
89.03896	1.5
91.05495	7.8
93.03459	2.5
93.07053	2.9
94.04227	2.1
95.04966	6.3
95.08620	2.0
97.06521	2.8
98.20700	2.1
103.05481	16.9
106.04235	1.3
107.04958	9.2
108.02154	1.7
109.06564	1.4
109.10141	1.3
110.03677	4.5
110.97501	1.2
111.04449	2.7
115.05462	2.6
117.03394	1.8
117.07036	2.2
121.06543	7.1
122.03698	3.7
123.04465	7.0
124.05228	1.7
125.06005	3.6
128.06229	3.4
129.07021	10.9
130.06552	1.1
131.04942	22.5
131.08575	2.3
133.06427	1.4
135.04427	1.8
135.08089	2.2
137.05992	41.6
138.03142	3.9
139.03937	1.8
140.04759	1.9
141.07021	1.8
142.02657	3.6
143.08667	1.3
145.06508	5.0
147.04454	1.8
147.08076	1.3
149.06003	10.7
151.03807	1.5
151.07579	1.9
153.05516	5.9
155.07079	1.8
157.06555	8.9
158.07376	1.2
159.04443	2.0
160.05258	3.1
161.06030	3.6
163.03949	1.5
163.07570	9.4
167.07066	24.0
167.08434	2.0
171.06561	5.2
174.06784	5.0
175.07539	18.1
177.05493	41.6
177.09172	1.7
181.04979	100.0
182.05374	1.6
183.06618	4.1
185.06030	1.9
187.07573	2.6
188.08435	2.0
189.07481	1.6
189.09149	13.1
191.07077	3.0
201.09106	3.1
205.06802	1.6
205.08688	3.4
206.07428	2.0
209.08112	61.2
217.06665	1.8
217.08649	8.8
218.07367	2.5
219.08121	2.3
219.10153	13.0
221.08003	3.1
223.56067	1.2
231.08147	1.5
234.06725	3.6
235.09738	4.0
247.07639	3.3
249.09233	4.8
251.10748	1.2
261.09229	4.2
263.07004	1.5
277.08600	9.2
278.09476	2.3
279.10266	3.1
289.08859	1.4
291.10300	1.5
293.11740	2.2
294.09039	1.5
307.09839	2.2
309.11319	3.8
321.11240	2.0
339.12448	8.6
341.13733	3.4
371.15067	13.7
389.16028	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	389.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	15.1
53.81044	1.5
55.01867	4.6
55.05515	13.1
60.12359	1.7
64.07541	1.5
65.03935	2.6
67.05503	5.1
69.03436	32.4
71.04993	2.6
71.28344	3.7
79.05489	6.2
81.03415	6.9
81.07054	6.7
83.04989	44.3
85.02901	3.0
91.05486	15.3
93.07060	8.7
95.04979	10.0
95.08585	3.1
97.02885	21.9
97.06527	2.3
99.04469	33.8
102.85855	1.4
103.05513	3.2
105.07056	10.3
107.04974	3.6
107.08623	12.5
108.47808	1.5
109.02892	44.7
109.06509	7.1
111.04436	6.0
115.05445	4.1
117.07011	4.4
119.08607	12.5
119.20699	1.8
121.06474	7.7
123.04432	5.0
123.08047	3.6
127.03085	2.5
127.03934	29.1
128.06227	11.5
129.07018	15.8
131.08597	12.3
133.06517	4.7
133.10153	2.9
135.08067	77.0
137.05983	7.9
141.07018	13.4
142.07796	19.2
143.08580	21.2
144.05606	2.0
144.09311	4.0
145.06494	6.4
145.10129	6.5
147.04344	1.9
147.08038	8.1
147.11745	2.3
148.08925	1.8
149.09637	10.1
151.07576	3.0
153.06990	16.8
154.07768	2.9
155.08575	12.3
156.09380	26.7
157.06461	7.1
157.10156	20.9
158.07291	9.3
159.08066	17.2
159.11736	10.1
160.08815	2.2
161.06001	3.7
161.09660	2.3
163.07524	7.8
165.06996	9.8
165.09221	1.9
166.07837	13.5
167.07101	2.5
167.08574	5.6
168.09370	14.0
169.06511	6.3
169.10114	3.9
170.07249	3.7
171.08067	23.3
171.11699	18.8
172.08797	16.0
173.05981	3.6
173.09621	23.4
173.13225	2.8
174.06824	1.8
175.07600	8.3
175.11200	5.1
177.05449	3.5
179.08603	1.9
181.04996	7.7
181.10159	13.5
183.08080	5.5
183.11693	12.7
184.08884	22.9
185.09641	26.5
186.10394	9.1
187.07652	3.0
187.11205	18.9
188.08249	1.8
189.09102	5.2
189.12737	4.4
191.07060	2.2
194.07281	2.0
197.06024	8.0
197.09641	3.6
198.06718	1.7
199.11200	87.4
201.12772	3.5
203.06943	1.5
203.10696	37.6
205.08710	1.7
207.59639	1.7
209.08072	3.4
209.09700	16.6
211.07559	4.6
212.08318	27.8
215.10695	73.2
217.08705	2.1
217.12234	15.9
227.10680	100.0
228.10924	2.2
233.11743	17.3
245.11768	92.9
263.12750	11.8
283.30081	1.8
331.84381	1.9
339.12479	3.8
371.14917	4.5
389.16275	4.4
398.89444	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03519	5.8
55.01869	18.7
57.23168	6.0
58.74547	7.0
65.03930	5.6
65.69312	6.0
65.70421	6.5
67.05523	11.2
69.03436	56.6
69.94331	31.6
79.05497	13.3
81.07075	15.1
85.02910	19.6
85.06555	6.9
86.09708	18.9
91.05500	15.8
93.07027	10.9
95.08592	11.5
97.02905	7.7
97.06520	8.6
103.05448	14.0
105.07046	17.9
107.08624	17.6
121.06499	7.9
121.10135	9.9
122.09660	12.7
123.11698	6.9
125.09640	27.8
129.07028	8.5
131.08571	11.4
133.10074	10.1
135.08078	8.4
137.06001	74.2
138.06326	26.2
139.03868	31.5
140.04242	12.0
145.05055	5.9
146.11795	7.3
149.06064	7.5
153.09161	6.8
167.07057	21.8
168.07410	9.6
173.13297	15.4
175.07585	7.3
177.05472	16.9
181.05011	41.0
191.14325	81.0
209.08072	27.9
209.15359	100.0
219.10167	8.2
226.14313	10.3
252.37712	7.1
277.08511	10.3
358.13748	13.5
378.47992	7.9
388.14716	27.9
388.20026	8.2
389.15967	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	389.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	14.5
55.01871	4.3
55.05509	7.8
65.03951	3.1
67.05501	7.5
69.03120	3.7
69.03441	34.7
70.06588	3.6
71.04998	19.6
71.55164	3.5
72.08164	6.3
79.05494	8.1
80.23936	2.6
81.03428	7.9
81.07066	7.1
83.04988	48.5
85.02906	12.3
85.06548	6.6
86.09721	4.0
91.05502	13.5
93.07043	9.0
95.04971	15.2
95.08612	8.9
97.02908	19.6
97.06557	6.2
98.97582	4.0
99.04462	71.5
103.05453	4.0
105.07043	12.1
107.04987	3.5
107.08600	14.4
109.02879	44.6
109.06532	7.0
109.10123	3.9
111.04413	3.5
111.08079	3.2
115.05434	3.4
117.06982	3.6
119.08582	10.5
121.02865	3.6
121.06498	11.1
121.10116	6.7
123.04448	5.7
123.08083	11.8
123.11698	3.3
127.03934	29.7
128.06253	11.0
129.07013	15.0
131.04933	5.4
131.08586	12.1
133.10150	10.4
135.08067	79.5
137.05995	8.0
139.03909	5.7
141.06993	9.6
141.52020	3.0
142.07788	19.3
143.08575	20.1
145.06520	6.2
145.10175	8.1
147.08076	12.5
147.11688	4.0
149.06021	4.5
149.09641	17.8
149.13235	3.6
151.03944	10.5
151.07549	6.2
153.07011	17.1
155.08568	10.1
156.09349	27.7
157.06523	6.5
157.10172	20.9
158.07333	13.1
158.99760	2.9
159.08060	13.9
159.11714	11.4
161.09607	3.6
163.07536	9.7
165.06984	10.6
166.07808	14.4
167.07063	3.4
167.08530	4.9
168.09317	13.7
169.06522	9.0
169.12407	6.1
171.08003	23.6
171.11746	16.5
172.08858	15.8
173.09650	16.1
173.13306	5.0
175.07605	6.7
175.11240	3.7
178.06183	3.7
181.10191	10.9
183.08032	4.9
183.11668	17.8
183.13849	11.5
184.08788	21.8
185.09633	28.6
186.10303	3.7
187.11171	17.8
189.09088	3.7
197.06027	4.0
197.09645	3.4
199.11188	90.2
201.12770	6.5
203.10661	39.8
209.09669	16.2
209.15318	8.2
211.07607	4.8
212.08308	32.0
215.10670	78.4
217.12225	10.3
227.10686	100.0
227.16414	22.4
233.11687	15.5
237.10304	6.6
245.11757	83.4
246.12067	4.6
246.14871	3.2
247.54166	3.1
255.11328	3.2
263.12778	16.4
265.09833	15.4
267.11646	4.4
269.08981	2.9
293.09290	19.4
300.60266	2.7
311.10239	3.4
321.08630	6.1
339.09775	16.1
345.15231	11.4
357.10922	4.9
389.13763	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	388.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48089	1.2
52.67291	1.0
53.03958	6.8
54.97667	1.1
55.01873	9.0
56.42367	1.0
57.03433	6.0
61.02934	6.1
68.99789	1.7
69.03433	35.2
69.37435	4.7
69.37868	3.5
71.04996	4.0
73.02928	7.6
77.93660	1.1
81.03427	21.9
85.02910	100.0
86.03215	1.5
87.00304	2.6
87.00833	43.8
91.04007	1.5
97.02290	1.7
97.02899	30.6
99.04462	15.3
105.01875	64.2
105.07047	13.4
107.04890	1.3
108.04492	3.1
109.02882	28.3
117.01865	2.9
118.30428	1.0
118.70924	1.0
119.08602	1.5
120.28435	1.1
126.05528	2.5
127.03924	69.9
129.01848	3.7
137.05980	3.0
138.06294	2.0
145.04979	35.6
147.02896	2.7
159.02905	16.1
189.03972	4.6
211.44269	1.2
213.03912	2.9
213.09158	1.8
224.60077	1.2
231.05014	25.9
248.07700	1.3
249.06082	7.2
388.15094	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	388.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16908	0.7
56.96550	0.7
57.03440	3.7
59.05011	3.5
62.46418	0.7
65.31741	0.7
69.03424	3.0
69.76279	2.3
69.76680	1.5
70.06591	1.2
71.01373	5.1
71.04985	2.1
72.08153	0.8
73.02929	1.3
75.04489	0.9
75.83397	0.7
78.03454	6.3
78.74944	0.7
80.05010	3.6
84.04507	0.8
84.73434	0.6
85.02908	16.6
86.09701	1.9
87.04477	5.1
93.96837	0.6
96.04494	3.0
97.02902	10.2
98.97573	0.7
99.00816	4.6
99.04463	2.2
101.02381	0.6
103.03956	1.0
106.02922	31.0
111.04461	2.5
113.02371	4.0
123.04431	0.7
124.03963	100.0
127.03954	1.1
131.03413	3.8
133.02861	2.1
138.05489	1.0
140.07042	0.7
141.01825	1.8
143.48941	0.6
145.04994	0.7
147.04428	1.7
159.02913	1.3
161.08289	0.7
173.04469	1.1
177.05511	0.8
179.03381	1.9
180.06575	23.2
198.07631	76.3
203.35805	0.7
226.10837	1.0
245.16939	0.8
276.08664	0.8
344.54169	0.6
388.12427	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
53.03936	1.2
55.01880	0.8
56.34909	0.3
57.03427	0.4
58.30876	0.3
61.02921	0.4
63.40676	0.3
67.05494	0.4
69.03436	3.2
70.80164	0.3
71.04982	0.9
71.56149	0.5
72.08131	0.5
73.02909	0.7
74.70103	0.3
77.03938	0.6
79.05498	4.4
81.03427	2.2
81.07065	0.6
84.08165	0.5
85.02911	8.8
86.09737	0.6
87.00842	3.5
91.05480	1.1
93.07032	0.5
95.04971	1.1
95.08628	0.6
97.02895	5.3
99.04454	1.0
102.32705	0.4
102.91947	0.3
103.05473	2.9
105.01882	7.7
105.07038	100.0
106.07365	1.3
107.08622	0.3
108.04494	0.5
109.02898	2.2
109.06484	0.5
117.06953	0.4
119.08582	1.1
122.09735	0.8
122.88179	0.3
127.03925	8.1
127.04813	0.6
129.01875	0.3
129.05482	0.4
131.08582	0.7
131.48476	0.3
133.10167	0.5
134.75751	0.4
135.11758	0.4
137.05992	1.0
138.06360	0.5
139.03888	0.5
143.08629	0.8
145.04962	5.8
151.03961	0.5
152.07968	0.4
158.10887	0.6
159.02890	1.7
159.08096	0.6
167.07130	0.5
173.13272	1.5
181.05003	0.6
189.04007	0.5
189.09190	0.6
191.14363	1.1
208.14192	0.5
208.51891	0.3
213.03984	0.4
213.09116	0.7
231.04947	3.7
249.06065	1.6
265.09808	0.5
293.09189	0.8
321.08835	0.7
332.04153	0.3
339.09845	1.1
388.14844	0.5
388.19653	1.0
389.13565	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.253
Annotation	Gerronemin A
Peak:m/z	Relative Intensity
53.03946	11.5
55.01535	2.3
55.01862	14.0
55.05516	18.2
57.03431	4.3
57.07100	4.9
62.37335	2.4
65.03940	3.2
67.05510	70.4
68.99812	5.2
69.03445	2.9
69.07066	13.1
79.05497	48.5
79.25945	2.9
81.03425	12.6
81.07061	67.3
83.01360	5.5
83.04966	3.9
83.08631	10.2
84.72469	3.4
91.05483	28.5
93.07058	53.2
93.14391	3.0
95.04983	19.1
95.08102	2.6
95.08617	59.4
97.06543	15.4
97.69228	2.6
98.20721	5.7
99.00837	7.8
102.75002	3.0
105.07040	23.0
107.04965	9.8
107.08598	34.4
109.02869	17.6
109.06544	7.5
109.10168	31.5
117.07030	12.3
119.08596	23.9
120.35573	2.7
121.06503	4.6
121.10159	29.0
123.04428	13.5
123.08083	3.4
123.11674	3.9
125.02387	3.0
125.05988	5.8
127.03933	8.4
129.06999	4.6
131.08571	25.0
133.06511	7.9
133.10143	17.8
135.08087	5.6
135.11726	5.0
137.06015	4.9
137.13243	3.6
139.03902	12.1
139.07535	6.4
141.05461	13.3
143.08609	5.9
145.10118	18.6
147.08023	4.2
147.11674	6.0
149.05975	3.8
149.09668	10.1
151.03922	100.0
151.05136	5.3
151.07520	4.6
153.09096	2.9
157.10207	7.1
159.08040	3.4
159.11682	12.2
161.05995	3.2
161.13281	22.2
163.07611	2.9
163.14828	21.1
165.05582	4.4
165.09109	6.7
169.10130	4.0
173.09558	6.0
173.13298	4.8
175.07524	3.2
177.05505	6.6
178.92717	3.1
179.06979	5.1
181.08641	8.1
183.11696	4.0
185.13281	13.3
187.11194	6.6
187.14822	25.2
189.16293	5.5
191.07089	3.5
193.08597	22.4
195.10062	3.0
199.14911	4.4
203.10672	3.9
203.14354	3.3
205.12236	3.7
211.14870	4.7
219.10239	6.6
221.11819	5.1
227.14320	3.3
229.16014	9.0
245.15375	5.1
247.17000	4.9
249.14651	3.4
271.17145	7.8
279.21146	7.1
283.16983	4.7
289.17993	6.7
297.22205	11.5
301.17941	8.6
325.21655	19.8
335.16824	3.1
343.22714	68.9
345.24146	3.9
369.24280	6.6
387.25388	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	387.2016
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03942	5.7
54.23221	2.2
55.01862	7.1
55.05500	9.9
55.29964	2.5
57.03425	9.8
57.60704	2.3
59.05011	2.9
61.02915	10.9
65.03935	3.6
67.05518	12.7
69.03091	2.5
69.03435	47.0
69.07072	14.3
70.06599	3.2
70.66821	6.0
71.04990	11.3
73.02924	5.3
79.05492	5.1
81.03424	23.0
81.07058	28.7
82.29776	2.4
83.01360	2.7
83.04979	9.2
84.61230	2.5
84.99957	2.2
85.02905	80.3
85.06509	4.1
86.09688	6.1
87.04451	4.0
88.36126	2.4
91.03915	3.3
91.05474	6.7
93.07040	8.5
95.04955	8.1
95.08614	15.8
97.02904	37.4
97.10190	3.2
99.04460	100.0
99.05112	4.8
99.08090	3.5
103.03967	3.5
105.07037	8.8
107.04982	4.6
107.08601	13.7
109.02890	16.4
109.06512	10.4
109.10152	15.0
111.08049	3.9
115.03915	10.2
116.89036	2.3
117.07034	3.1
119.08570	9.9
121.06490	2.7
121.10172	17.0
123.04395	4.5
123.08070	10.5
123.11726	9.8
127.03917	26.5
127.07542	3.7
127.11211	27.8
133.10114	4.2
135.04442	5.6
135.08095	4.2
135.11662	3.1
137.05994	29.1
137.09654	4.3
137.13286	11.6
139.03902	20.1
141.09091	4.3
145.04973	15.1
147.08078	2.9
147.11652	8.6
149.05873	3.3
149.09610	33.4
151.03905	29.7
151.07607	3.7
151.11168	6.5
155.10678	2.4
161.13239	6.6
163.03902	8.4
163.06230	3.1
163.11151	2.8
165.12794	18.3
166.12659	2.3
167.07069	5.3
171.11757	3.3
177.05426	4.2
179.14308	7.6
181.04930	8.7
183.13849	15.0
187.05972	4.3
189.12747	7.0
197.11781	3.4
203.07043	2.9
204.77550	2.7
207.13814	33.7
219.10229	18.8
223.13405	3.3
225.14908	46.9
231.10042	2.5
235.07816	2.3
289.61493	2.4
357.13287	3.5
387.08362	5.4
387.14059	16.2
387.19971	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	387.2013
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
53.03941	9.2
55.01863	7.6
55.05504	7.9
56.96553	9.2
57.03424	15.0
59.05002	5.2
61.02918	14.6
67.05497	13.9
69.03435	38.9
69.07052	5.6
69.50379	26.6
70.06592	6.2
71.04984	10.7
72.08145	9.7
73.02905	4.2
74.39903	4.9
79.05489	14.1
81.03434	22.5
81.06652	4.5
81.07056	28.2
83.04990	11.5
84.08144	5.5
85.02911	96.7
85.06490	6.5
86.09707	11.9
87.37127	4.5
91.05476	12.9
93.07056	21.2
95.04954	20.8
95.08609	20.6
97.02908	38.3
97.06540	9.0
98.21474	9.2
98.97569	11.7
99.04464	50.4
99.08017	4.1
105.07041	28.8
107.04970	8.3
107.08586	17.6
107.46934	4.0
109.02887	12.1
109.06517	13.4
109.10171	14.4
113.05975	4.4
117.07018	7.5
119.08606	40.2
121.06491	8.5
121.10136	39.2
122.03665	6.4
123.08057	21.2
123.11678	5.8
127.03916	24.0
127.11214	10.5
131.08554	10.6
133.10104	14.3
135.04352	5.3
135.11662	6.2
137.05997	91.1
137.09604	17.1
137.13264	8.6
139.03871	13.3
145.04942	15.9
145.10114	9.7
147.08031	7.3
147.11664	16.0
149.05908	5.3
149.09616	19.4
151.03900	18.2
151.07503	12.2
151.11118	7.1
153.09145	4.6
153.12674	7.9
155.10625	5.6
159.11690	7.1
161.13255	21.6
163.03976	5.3
163.11140	18.1
165.09097	7.1
165.12743	19.9
167.07028	21.1
169.08722	4.4
171.11674	8.3
179.14331	19.4
181.04929	10.6
181.12230	10.3
183.13837	9.2
189.12804	32.4
207.13806	100.0
210.27872	6.1
219.10133	11.3
225.14896	59.4
243.08961	6.9
357.13263	8.5
387.08521	7.5
387.14285	96.9
387.19962	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.0
57.03433	0.5
60.37441	0.4
67.05504	0.5
69.03427	1.6
69.46378	1.8
69.46780	1.4
70.06610	0.6
72.08141	0.7
73.02917	0.6
81.07059	0.7
81.38369	0.4
83.04958	0.6
85.02902	2.9
95.04955	0.6
97.02893	0.8
99.04488	0.4
105.07019	0.6
107.08606	0.7
115.03965	0.4
119.08580	0.7
123.04488	0.5
123.11695	0.4
127.03918	0.7
145.04970	0.8
147.11711	0.5
151.07568	1.1
163.11189	1.8
165.82889	0.5
167.07047	5.6
185.04175	0.6
189.12779	0.7
207.10175	0.6
207.12047	0.5
207.13860	1.9
211.09660	0.5
212.31873	0.4
225.10979	8.9
225.14775	1.0
269.26529	0.5
339.19403	0.5
343.13400	0.5
385.35873	0.4
387.16293	100.0
388.16754	2.6
396.12341	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2017
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
53.03221	1.5
53.03936	3.0
55.01863	3.5
55.05513	3.7
57.03431	7.7
57.07061	1.8
61.02919	5.9
67.05501	3.1
69.03143	1.6
69.03435	20.5
69.94116	6.4
70.06590	11.5
71.04977	3.6
71.06928	2.1
72.08156	2.8
73.02918	2.6
77.67518	1.7
79.05498	5.7
81.03403	7.1
81.07070	11.2
83.04977	6.4
84.08137	1.8
85.02911	52.8
85.06555	3.3
86.09687	5.1
87.04492	2.9
91.03953	2.4
91.05473	6.5
93.07053	9.4
95.04443	1.6
95.04975	7.1
95.08608	4.1
97.02915	17.6
97.06552	3.0
99.04453	3.3
105.07035	11.5
107.08588	11.6
109.02888	5.1
109.06505	6.8
115.95877	1.6
117.07005	2.8
119.08575	10.1
121.06523	4.5
121.10168	16.2
123.08082	16.5
125.06001	7.6
127.03921	12.0
130.07767	2.8
131.08580	3.2
133.06525	2.7
133.10149	4.1
135.08072	3.0
135.11728	7.7
137.09639	2.3
139.07544	5.1
145.04976	12.2
145.10129	14.5
147.08086	1.8
147.11707	4.2
149.09679	4.3
151.07558	37.8
153.09175	2.2
161.09686	2.1
161.13264	4.4
163.11205	100.0
165.09154	13.5
165.12753	3.7
167.07036	6.4
171.11681	3.7
177.05469	7.2
178.05800	3.9
181.12247	31.4
189.12747	13.9
201.79643	1.7
207.13821	45.8
208.14207	1.8
223.13252	3.2
225.11026	4.8
225.14824	20.7
369.19073	4.3
387.16226	82.4
387.20099	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	387.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	0.6
57.03424	1.4
61.02921	0.7
69.03436	2.9
69.85521	1.0
69.85867	3.0
70.06603	3.2
71.05018	0.6
72.08150	0.9
79.05469	0.7
81.02919	0.5
81.03401	1.4
81.07071	0.8
83.04981	0.6
84.08144	0.7
85.02905	4.6
85.06525	0.6
86.09707	0.6
91.05483	0.9
94.06544	0.6
95.04971	1.3
97.02887	2.3
98.97576	1.3
99.04446	1.2
105.07030	2.0
107.08597	1.6
109.02921	1.1
119.08593	1.3
121.06487	0.6
121.10133	0.7
123.01839	0.6
123.04430	1.0
123.08045	0.7
127.03926	1.8
133.10104	0.6
139.07379	0.8
145.04932	1.2
145.10121	0.7
147.04449	0.8
147.11685	1.2
161.13275	0.8
163.11211	1.9
164.07108	1.8
167.07011	3.1
177.05531	0.6
181.12141	0.6
191.08559	1.0
207.10199	0.6
207.13860	4.0
219.07990	0.8
225.10988	2.5
225.14928	1.2
237.02742	0.6
239.02383	0.7
253.13239	1.0
256.06113	0.7
299.13797	1.1
301.12570	2.0
341.14865	1.7
343.13684	10.9
369.11560	1.2
387.12451	15.5
387.16251	100.0
388.16608	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	387.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
55.05514	1.2
57.03422	0.9
61.02919	0.9
65.80463	0.4
69.03431	2.7
69.07067	0.8
70.06593	2.6
71.04996	1.1
71.56034	0.5
72.08167	3.6
78.54182	0.4
81.03432	1.4
81.07053	1.9
83.04992	3.4
83.08582	0.6
85.02917	4.7
86.09711	4.1
89.06004	0.5
91.05493	1.1
93.07059	0.8
95.04984	2.7
95.08607	1.6
97.02895	2.1
97.06537	0.6
98.97620	0.7
99.04457	1.6
105.07024	1.3
107.08609	1.2
109.02875	0.8
109.06533	1.5
109.10172	0.8
119.08582	0.8
121.10152	1.0
123.04540	0.6
123.08046	0.9
123.11691	0.7
125.06003	0.7
125.09629	0.5
127.03927	1.2
129.10280	1.0
133.10136	1.0
135.08188	0.6
137.05977	0.8
137.09628	1.4
137.82057	0.5
147.11693	0.8
149.09612	1.3
151.07576	1.3
151.11253	0.7
153.12782	1.0
163.11215	1.0
164.07166	0.6
165.12746	0.8
167.07053	1.0
177.05385	0.5
181.12236	0.7
185.16493	1.7
189.12825	1.4
195.13895	1.4
197.10222	0.8
207.09944	1.6
207.13879	4.5
213.16103	0.5
225.11121	5.7
225.14883	2.1
243.10800	1.0
267.10605	0.7
285.11832	1.3
329.36032	0.5
387.16287	100.0
388.16565	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	387.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
55.05511	3.3
57.03441	1.5
61.02929	1.8
67.05505	2.2
69.03435	4.3
69.07061	2.3
70.06592	2.5
71.05013	1.8
71.55708	1.6
72.08166	2.2
79.05518	1.1
81.03430	1.9
81.07050	3.5
83.04980	6.5
85.02917	8.9
86.09716	4.1
87.04482	1.2
91.05492	1.9
93.07060	1.9
95.04948	4.2
95.08609	1.4
97.02911	4.4
97.06504	1.2
99.04446	1.0
102.05530	0.9
105.07029	2.5
107.08612	4.0
109.02876	1.0
109.10163	1.7
111.08035	1.2
119.08598	1.8
121.10181	1.9
123.08067	1.6
123.11685	2.5
125.09632	1.6
127.03918	2.6
133.10172	2.2
137.09641	3.6
139.04001	0.8
147.11734	2.0
149.09610	2.4
151.11203	2.9
153.12784	2.9
163.11252	1.0
165.12712	1.3
167.07159	1.6
167.08437	0.9
167.14417	1.1
177.05531	1.2
185.16542	2.5
195.13838	5.4
207.10019	1.3
207.13867	6.0
213.16109	1.1
225.11160	5.2
225.14830	4.3
239.46799	1.1
243.11035	1.2
309.14050	1.1
321.67206	1.0
387.16287	100.0
388.16592	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	387.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04185	0.7
55.01879	1.5
55.05507	1.0
56.96576	0.7
67.05507	2.2
69.03416	0.8
69.07076	1.3
71.55090	1.2
79.05481	1.4
81.03410	0.9
81.07056	1.8
83.01336	1.6
83.04987	7.2
85.02960	0.7
91.05480	1.2
93.07050	1.0
95.08593	1.1
97.06548	0.9
105.07046	0.9
107.04924	0.8
107.08572	0.8
111.04439	6.0
123.04398	1.3
124.01596	1.5
131.08542	1.1
137.05991	1.6
139.00244	0.9
139.03908	1.9
153.24382	0.6
161.06006	1.0
167.03395	8.2
167.07053	0.6
180.00531	24.5
183.02724	0.7
185.04448	1.9
191.14568	0.7
195.02895	100.0
196.03302	0.8
198.01608	57.6
199.02042	1.0
213.03941	100.0
214.04402	1.1
217.04877	1.1
221.04448	3.7
229.07257	1.1
251.09113	5.7
253.06624	0.6
267.06314	0.8
289.07150	1.1
331.08130	75.7
332.08447	2.2
342.43552	0.7
385.84518	0.7
387.14536	1.5
387.25189	2.6
398.59302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1444
Annotation	Magnolone
Peak:m/z	Relative Intensity
55.01877	1.2
55.05501	0.4
57.03447	0.4
58.19017	0.4
65.03939	2.0
66.04730	0.5
67.05500	1.3
69.03437	0.7
69.07067	0.5
69.40142	1.3
69.40565	1.3
72.14754	0.3
79.05509	2.2
81.03435	0.8
81.07057	1.1
82.04228	0.5
85.02913	1.2
91.05506	2.1
93.07045	0.3
94.04203	3.3
94.05236	0.3
95.04977	1.0
95.08604	0.7
97.06539	1.5
98.97555	0.4
103.05481	4.5
105.03389	0.6
105.07043	1.3
106.04194	0.5
106.04882	0.3
107.04963	1.6
108.02090	0.6
108.98210	0.4
109.10168	0.7
110.03680	0.4
111.04404	0.4
113.94456	0.3
115.05462	2.7
117.07029	1.7
118.04169	1.1
119.08568	0.4
121.06505	0.7
121.10226	0.5
122.03669	8.5
123.04442	1.4
124.05183	0.5
125.06079	0.6
127.03954	0.4
130.04121	0.5
131.04948	3.8
132.05716	0.6
133.02946	0.5
133.06497	1.5
133.10069	0.4
137.05995	100.0
138.03162	0.6
138.06326	0.9
139.03909	2.0
139.07509	0.4
141.05446	0.5
143.04938	3.4
145.06505	2.9
147.04420	0.5
147.08031	0.4
148.05217	2.2
149.05969	1.0
149.09679	0.4
151.03929	13.3
151.05029	1.3
151.07513	0.4
153.05530	0.8
155.06065	0.7
160.05276	0.4
161.06004	1.2
163.03929	0.7
163.07556	4.0
165.05556	0.4
167.07072	12.3
171.04370	0.7
171.06514	0.6
173.06041	3.0
175.07556	1.8
177.05496	0.7
181.04987	18.4
182.05453	0.4
187.04077	0.3
187.07529	0.6
189.05516	0.6
189.09264	0.4
191.07048	12.8
192.07658	0.4
193.08549	0.4
203.07042	2.5
205.06911	0.5
205.08633	2.1
207.06514	0.4
219.10178	0.9
233.08087	1.2
235.07623	0.6
235.09683	2.0
262.06360	0.4
277.08606	0.4
279.06168	0.4
293.08109	0.5
307.09799	0.4
323.08957	0.5
325.10977	0.4
327.12793	0.5
350.72784	0.4
351.12326	0.8
355.11838	1.2
357.08954	0.6
357.13358	12.6
366.09592	0.4
369.13492	0.8
387.14438	26.9
388.14661	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1441
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03942	0.5
55.01865	1.2
55.05514	0.8
56.67889	0.4
57.03427	0.5
65.03939	2.1
66.04724	1.1
67.05499	1.7
69.03443	2.2
69.07073	6.1
69.39542	1.8
69.39978	1.6
70.73391	0.4
73.02889	0.6
79.05501	2.1
81.03422	1.7
81.07047	1.5
83.08572	0.5
85.02923	2.3
86.14059	0.4
87.04472	0.8
91.05481	1.7
93.03390	0.8
93.07050	0.6
94.04209	3.4
95.04967	1.0
95.08643	0.7
97.02893	1.1
97.06522	2.4
98.97581	2.5
103.05479	5.6
105.03407	0.5
105.07037	1.8
107.04965	1.9
107.08607	0.7
108.02114	0.8
109.02850	0.8
109.06545	0.7
109.10170	0.8
110.03657	0.8
115.03930	0.7
115.05474	2.7
116.98644	1.1
117.07023	2.1
118.04163	1.7
119.04965	0.6
119.08585	1.2
122.03663	8.6
123.04454	1.4
125.05965	0.6
127.03967	0.7
129.06979	0.4
131.04956	4.6
132.05753	0.6
133.02881	0.8
133.06490	1.3
135.08046	0.6
137.05991	100.0
138.03087	0.6
138.06342	0.8
139.03864	2.2
139.11139	0.4
143.04927	3.2
145.06496	1.7
147.08124	0.6
148.05199	2.8
149.05994	0.6
151.03925	13.5
151.05032	1.4
155.06026	0.6
158.99712	0.5
160.05237	0.4
161.01225	0.5
161.05992	1.4
163.03912	0.6
163.07582	4.9
165.05458	0.6
167.07045	11.2
170.99713	1.4
171.06607	0.7
173.06024	2.6
175.07549	1.4
181.04974	21.2
189.00722	1.0
191.07060	14.0
191.08798	0.8
201.05325	0.4
203.07014	2.8
205.08617	2.1
210.35907	0.5
219.01898	0.5
219.10187	1.2
231.01756	0.6
233.08182	1.5
235.09654	2.7
249.02798	0.9
291.03897	1.0
295.09744	0.7
309.11169	0.5
316.30261	0.5
327.12100	0.6
347.13733	0.7
351.12277	0.6
355.11905	1.0
357.13345	12.7
369.13516	0.9
369.43484	0.4
387.14432	26.4
388.15015	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01872	1.2
57.03433	1.5
58.06599	2.0
59.32386	0.8
61.02919	2.6
63.19883	0.8
63.38026	0.9
68.05038	1.0
69.03438	5.9
70.18315	0.9
70.18649	3.7
73.02890	0.8
73.03304	0.8
74.34620	0.7
76.61037	0.8
79.05482	1.6
80.23974	0.9
81.03407	2.8
85.02916	14.2
86.92822	0.8
87.04456	1.1
89.03899	2.3
91.03947	1.0
91.05466	3.8
97.02916	5.2
98.20705	1.0
99.04442	1.2
103.05488	4.1
105.07042	15.9
106.53859	0.9
107.04953	2.0
108.40823	1.0
109.02865	0.9
117.03374	4.7
118.06548	7.3
120.08131	13.0
126.05356	0.9
127.03907	2.5
128.06233	1.7
130.06479	1.2
131.04951	2.4
131.07339	1.3
132.08119	1.1
143.08569	2.1
145.02867	6.9
145.04927	2.3
146.03619	2.3
148.05141	0.9
149.05988	1.6
160.11234	57.9
161.08047	0.8
161.11531	0.9
177.05476	10.9
178.12279	53.2
179.03337	1.1
194.05875	3.9
206.11757	10.9
224.12828	100.0
225.13033	1.2
386.13956	1.1
386.18250	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	387.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.0
61.02936	1.1
62.94230	1.0
67.05510	1.1
69.03421	3.4
70.06592	2.6
71.55364	1.6
81.03435	1.4
81.07053	1.3
84.08166	2.0
85.02906	7.4
86.09696	2.1
87.04462	1.1
91.05475	1.1
93.07099	1.0
95.04965	3.5
97.02886	2.6
98.97582	1.5
99.04478	1.9
105.07043	2.0
107.08627	1.7
109.06505	1.4
109.10281	1.2
116.07027	0.8
119.04975	1.0
121.10164	1.2
122.55120	0.9
123.04408	1.3
123.08018	1.1
127.03914	2.6
130.09364	0.8
133.04971	1.8
137.05989	1.4
139.07321	1.3
145.04935	1.3
145.10143	1.0
147.04405	1.4
147.11644	1.9
149.09596	1.0
151.07558	1.2
151.88310	0.9
163.11208	4.0
164.07063	3.5
165.12540	1.0
167.07059	4.9
177.05460	1.3
179.03607	0.8
181.12349	1.1
185.00270	0.9
185.04465	1.3
189.12753	1.1
207.02776	1.0
207.13780	8.1
225.11011	3.4
225.14853	3.3
227.05234	1.0
247.79243	1.1
290.48117	1.1
301.12634	5.0
341.14886	1.7
343.13647	29.8
387.12405	53.7
387.16324	100.0
388.12506	1.4
388.16995	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	3.2
57.03440	1.4
61.02910	1.7
61.86317	1.1
65.03938	2.4
69.03423	2.6
70.02964	1.8
70.06583	4.5
70.41757	3.9
72.08154	1.7
73.02870	1.5
74.02090	1.4
74.02453	15.7
74.93853	1.1
81.03409	3.6
81.04549	2.0
81.07052	2.5
83.04969	1.3
84.04514	1.8
84.08125	2.3
85.02909	7.8
88.03990	3.7
89.03898	1.4
89.59127	1.2
92.05011	3.1
97.02906	2.6
98.21223	2.1
98.97585	3.4
108.04501	2.3
109.02850	1.3
110.06056	100.0
115.65395	1.0
116.03454	2.8
116.98633	1.5
117.03375	2.0
119.04858	1.3
119.08573	1.2
123.04410	1.2
124.03944	4.2
126.05519	1.4
127.04009	1.2
127.05054	2.8
128.98625	1.1
133.02817	1.2
134.06038	6.5
135.04436	1.6
136.06200	1.5
137.05946	1.4
139.16446	1.1
143.08153	3.0
145.02829	1.4
145.06010	1.5
147.04405	3.2
149.01244	1.4
161.07127	5.7
163.03925	3.4
177.05531	2.2
179.03369	2.8
179.08192	12.0
179.11821	2.3
182.99678	5.1
190.04939	1.5
198.07565	2.9
201.00740	6.2
207.04501	1.4
207.07689	12.8
219.01759	1.8
225.08742	47.4
225.12082	7.0
237.02837	1.2
244.57373	1.2
267.09818	2.7
327.04050	2.4
345.04807	1.6
369.12338	1.4
369.16476	2.8
387.12500	1.9
387.16699	2.2
413.38113	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1439
Annotation	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
Peak:m/z	Relative Intensity
53.03939	0.9
55.01865	1.4
56.96562	0.7
64.97630	0.8
67.01858	0.9
67.05510	1.3
68.99795	0.8
69.07065	2.9
69.75825	1.9
69.76239	1.8
79.01913	0.6
79.05498	1.2
79.67525	0.5
81.07036	1.2
83.01339	2.8
83.04985	8.9
85.71446	0.6
91.05492	0.8
93.07049	0.9
94.41976	0.7
95.04942	1.1
97.02881	0.8
107.04964	17.7
111.04445	6.4
112.92411	0.7
117.26736	0.6
119.04921	0.8
121.02857	3.1
123.04470	3.1
124.01587	2.5
135.04399	1.8
137.05943	1.4
139.03873	2.3
141.80800	0.7
147.04518	0.7
152.01088	1.1
154.02609	8.6
158.07231	0.7
163.03865	0.9
165.01859	1.4
167.03423	12.1
169.04979	34.5
172.61435	0.8
179.03400	1.5
180.00546	23.6
181.04962	0.8
182.02151	1.4
183.02831	1.0
185.04492	0.9
186.06834	1.1
194.02121	1.9
195.02905	100.0
197.06015	1.6
198.01616	46.1
209.04489	7.1
213.03951	78.9
213.60243	0.8
214.04301	1.0
214.06262	1.8
225.03864	10.4
229.08641	0.8
237.04024	1.4
239.07222	0.8
242.05740	3.6
251.09187	11.0
253.04932	1.6
257.04428	1.6
257.08099	1.4
267.06509	1.8
270.05243	4.2
272.06787	2.0
285.07541	9.0
286.04813	0.9
298.35629	0.8
303.08673	1.9
309.11258	1.7
313.07108	1.4
331.08145	47.2
335.22485	0.7
341.13950	1.8
369.13477	3.0
387.15033	0.8
387.20688	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38701	1.6
53.03951	1.6
55.01869	3.3
56.96569	2.6
57.03434	4.4
61.02933	2.6
67.05495	7.7
69.03437	9.9
69.07105	1.5
70.06599	2.0
71.05005	2.7
71.06454	3.2
79.05495	6.6
81.03421	12.3
81.07060	4.0
83.05006	10.9
85.02912	67.4
91.05501	11.7
93.07058	17.8
95.04977	13.2
95.08598	7.7
97.02882	7.3
97.06507	3.4
99.04462	5.6
103.03947	2.2
103.05454	2.0
104.40018	1.7
105.07041	12.8
107.04952	2.6
107.08615	22.7
109.02887	6.5
109.06509	6.0
109.10167	11.4
115.03847	1.6
117.07042	8.9
119.08587	33.4
121.06506	4.9
121.10161	31.3
123.04428	5.7
123.08071	3.6
125.05996	3.8
127.03913	5.1
129.06999	3.1
130.07799	2.2
131.08575	7.5
132.32664	1.8
133.06491	1.9
133.10123	5.1
135.08058	10.6
135.11713	1.9
136.06204	6.0
137.05980	3.0
137.09627	41.8
139.03770	2.4
139.07562	1.7
143.08560	4.7
144.09393	2.7
145.04956	14.4
145.06493	2.9
145.10136	7.9
147.08086	11.8
149.09628	4.9
151.03946	3.8
154.75754	1.7
157.10092	3.8
159.08107	4.1
159.11694	5.5
161.09654	5.5
163.11163	9.6
165.09123	6.9
167.06956	1.9
169.10130	1.9
172.08943	2.7
175.11171	3.6
177.12758	1.7
179.10660	6.3
181.12189	1.8
183.10167	7.9
187.11226	11.4
193.12257	10.3
203.10712	1.9
205.12268	38.4
209.09381	1.8
217.12230	2.5
221.11670	2.0
223.13318	100.0
229.12157	3.0
241.14406	2.8
245.11813	2.3
250.32896	1.8
265.14389	3.8
271.13309	3.6
289.14511	12.2
307.15433	4.2
331.15240	3.5
331.75421	1.7
349.16431	3.7
367.17566	7.8
385.14429	18.4
385.18652	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	385.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
55.05502	2.5
56.96574	0.9
57.03430	1.0
57.07082	0.8
57.43623	0.6
59.39914	0.5
60.05420	0.5
60.05661	6.2
67.05505	4.2
69.03445	1.1
69.07074	3.4
70.06600	53.3
71.05009	3.7
71.55453	0.9
72.08176	4.0
73.02891	0.6
74.02451	1.1
79.05494	2.3
81.03436	1.4
81.07070	11.7
83.04986	1.8
83.08643	0.9
84.08157	0.7
85.02903	2.7
85.06548	1.3
85.07620	0.7
87.04480	0.8
88.07623	0.7
91.05496	3.3
93.07038	2.7
94.04214	0.8
95.04970	1.3
95.06100	4.3
95.08598	3.5
97.02917	0.8
97.06519	2.5
97.07663	2.2
98.97589	1.6
105.07042	5.4
107.04963	1.2
107.08585	2.8
109.02894	1.2
109.06514	1.8
109.10190	1.1
110.07062	0.7
112.08742	15.4
113.07126	2.3
114.10321	1.9
115.08696	6.6
116.06329	1.0
116.07103	10.3
116.98611	0.8
117.07019	1.3
119.08601	3.9
121.06535	0.9
121.10155	4.4
123.08089	0.8
123.11745	3.1
129.07011	0.8
130.09810	3.3
131.08513	0.7
133.10103	0.9
135.08047	1.1
135.11710	1.3
137.05995	6.4
140.08192	1.3
141.71962	0.6
145.10139	1.3
147.04453	0.8
147.11710	6.6
151.04028	0.8
157.09984	0.7
158.09286	12.4
159.07834	1.0
161.09641	0.8
162.19974	0.6
163.03894	1.6
163.11185	4.0
165.12817	3.2
167.07062	4.1
175.11955	8.9
182.15433	1.2
193.12302	0.9
201.05466	2.7
204.89030	0.7
205.12238	3.6
210.14917	1.4
223.13284	1.2
235.08961	0.7
236.09595	0.7
237.10246	1.2
249.10127	0.8
251.11810	2.8
252.09572	0.7
253.10179	1.0
265.09796	0.9
279.11365	2.1
288.20602	0.7
297.65344	0.7
304.20212	9.8
307.20221	1.5
322.21216	1.0
325.11816	2.5
325.21375	1.3
326.19473	1.6
332.19748	4.6
333.19604	0.7
350.20862	1.3
353.10992	0.8
367.23163	0.9
368.21909	1.7
385.18787	4.0
385.24490	100.0
386.24722	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	385.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90828	0.3
54.46614	0.4
55.05503	0.3
59.91832	0.3
60.05636	0.4
67.05516	0.5
68.85090	0.3
69.03432	0.7
69.07047	0.4
70.06602	3.4
71.06486	0.5
78.28291	0.3
79.05499	0.7
81.03451	0.4
81.07053	1.2
88.13029	0.3
90.13560	0.3
91.05463	0.7
93.07062	0.6
95.08636	0.5
99.04456	0.3
105.07039	0.8
105.42653	0.3
109.06513	0.3
112.08760	0.6
116.07101	0.7
119.08606	0.5
121.10159	0.4
130.09772	0.4
135.04401	0.5
137.06010	0.7
147.04411	0.4
147.11661	0.7
147.83606	0.3
153.96486	0.3
158.09250	0.8
163.03967	0.4
167.07082	0.7
201.05463	1.8
203.05257	0.9
205.11964	0.6
223.09816	0.3
223.13132	2.6
286.21463	0.3
299.95639	0.4
353.11060	0.7
385.18353	100.0
385.24124	5.3
386.18668	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	385.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.8
57.03453	1.0
59.04988	0.6
61.02917	2.1
67.05493	0.8
69.03436	7.1
70.06584	0.7
70.94456	1.3
71.04970	0.9
73.02908	1.7
76.27534	0.5
79.05485	1.0
81.03407	1.9
81.07030	0.7
83.04965	1.4
85.02911	28.4
87.04462	1.5
91.03943	0.6
91.05473	2.2
93.07056	4.9
95.01382	0.6
95.04994	0.7
95.08591	1.5
97.02901	3.6
99.04430	1.4
99.39170	0.5
105.07021	3.1
107.08611	5.0
109.02856	1.8
109.06506	1.7
109.10152	2.2
117.05479	0.9
117.07005	0.9
119.08593	5.1
121.06457	0.7
121.10160	6.8
127.03912	1.5
131.08525	0.6
133.10123	0.5
135.07977	0.9
135.11777	0.6
137.05989	1.1
137.09627	13.2
139.03923	4.9
145.10132	2.1
147.08011	1.3
159.11716	1.0
161.05989	0.6
161.09589	1.4
163.03897	0.8
163.11211	2.7
165.09070	1.0
179.10658	4.9
192.29901	0.5
201.05455	2.3
205.12254	22.6
205.14185	1.2
219.10025	0.8
223.13304	100.0
224.13698	2.4
279.10031	0.5
325.10675	0.8
341.78738	0.6
347.25684	0.6
367.11841	0.7
372.71530	0.5
385.12900	2.2
385.18503	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	385.1472
Annotation	Asp Asn His
Peak:m/z	Relative Intensity
56.96553	1.7
67.12624	1.0
69.07083	1.4
70.06603	13.7
72.08180	1.2
84.08140	1.5
85.02915	2.3
86.09698	1.9
91.05473	1.5
95.08651	1.0
97.02906	1.1
98.97601	1.4
109.06509	1.1
119.04944	1.0
123.04475	2.1
139.42256	1.2
158.84058	1.1
165.05609	1.1
167.07053	2.3
173.06052	1.3
177.05484	4.8
198.82822	0.9
201.05504	2.7
205.12170	1.8
223.09441	5.9
385.14990	100.0
386.15881	3.4
398.14993	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1473
Annotation	Asp Asn His
Peak:m/z	Relative Intensity
51.87562	0.4
52.16246	0.5
55.93520	0.5
56.96568	0.8
57.03443	0.5
69.03427	1.2
69.62739	2.9
70.06578	1.0
73.02902	0.6
75.23484	0.4
82.12129	0.4
85.02911	1.6
85.82386	0.4
88.02267	0.6
97.02895	0.7
98.20718	0.4
98.97581	1.3
105.94968	0.4
109.02932	0.5
120.08049	0.5
126.48273	0.4
127.03965	0.5
128.98668	0.4
139.03876	0.8
139.69380	0.4
147.04536	0.5
154.35127	0.4
168.28586	0.4
175.23538	0.4
177.12737	0.6
194.97484	1.2
201.05542	1.2
203.07642	0.4
219.01747	0.5
220.76810	0.4
223.06102	0.7
223.09451	7.7
237.95624	1.2
238.96243	0.5
246.99323	1.3
269.49158	0.5
276.25201	0.5
288.68796	0.5
304.61441	0.5
343.99768	1.3
385.14725	100.0
386.15192	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1838
Annotation	His Thr Gln
Peak:m/z	Relative Intensity
51.59566	0.3
53.47818	0.3
67.05489	0.4
67.33095	0.4
67.39352	0.3
70.76005	0.4
70.76354	0.8
81.07070	0.4
83.06836	0.3
85.02921	0.3
91.05467	0.4
93.07020	0.4
101.41270	0.4
109.06547	0.4
137.06006	1.1
137.64961	0.3
145.10184	0.6
147.04346	0.4
164.28203	0.4
167.07077	0.5
185.04305	0.4
194.95088	0.4
201.05515	1.5
203.05325	0.5
203.07248	0.4
205.12184	0.7
223.09460	3.7
223.13042	2.6
353.10501	0.4
385.18356	100.0
386.18900	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	385.1284
Annotation	Dulxanthone F
Peak:m/z	Relative Intensity
55.01825	0.2
56.96568	0.2
65.03936	0.4
70.55956	0.6
81.07030	0.3
83.01339	0.3
83.39871	0.2
90.98781	0.2
91.05473	0.3
94.04147	0.6
97.41482	0.2
107.04958	4.3
108.05687	0.3
109.02869	0.4
109.10111	0.2
111.04405	0.3
121.02878	9.3
121.03763	0.4
126.53915	0.2
131.04930	0.2
134.03639	1.1
137.02289	0.3
145.06471	0.4
146.07236	0.3
147.04424	1.5
150.04996	0.2
157.06462	0.2
157.42250	0.2
160.05067	0.2
165.01788	0.3
169.01283	0.3
173.06007	1.0
174.03123	0.3
174.06779	0.9
175.03888	0.6
180.00571	0.6
184.05167	0.9
185.05959	0.6
187.03845	0.2
195.02888	1.0
198.01573	0.6
201.05608	0.3
202.02585	0.3
202.06192	0.8
205.08365	0.2
212.04604	0.9
213.05573	0.4
215.03291	0.2
229.05020	1.3
230.05731	3.8
239.03412	0.6
240.04155	0.3
241.05000	1.0
245.08157	0.4
257.04492	1.6
258.05264	7.9
269.04376	0.5
273.07578	0.3
285.04007	1.6
286.04733	15.3
287.05249	0.7
297.03665	0.3
301.06976	0.6
310.05176	0.2
313.03400	2.7
314.04221	33.7
315.04852	1.7
327.05029	0.9
329.06567	100.0
330.06915	2.7
367.23111	0.2
385.12848	21.5
386.13199	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1284
Annotation	Dulxanthone F
Peak:m/z	Relative Intensity
53.41178	0.3
55.01829	1.2
55.05469	0.4
57.48172	0.3
59.12793	0.3
65.03902	0.9
67.05465	0.6
68.99747	0.4
69.03383	0.4
69.07021	0.7
69.17435	1.9
69.17863	1.6
70.87770	0.4
79.01820	0.6
79.05448	0.5
81.07011	0.8
91.05431	0.6
92.02584	0.6
93.03407	1.8
93.07006	0.8
95.04932	0.8
95.08540	0.8
97.02830	0.4
105.06971	0.7
107.01263	1.0
107.04893	0.6
109.10134	0.6
115.05412	0.4
119.08522	0.5
121.02872	4.3
121.15967	0.4
122.03611	0.7
123.04405	0.5
129.06866	0.4
135.04324	0.4
136.01495	0.4
137.02292	1.4
137.05873	0.6
138.03143	0.4
139.03851	0.4
143.04916	0.4
149.02362	2.8
150.03159	1.7
151.03914	5.0
151.05003	0.4
153.01849	2.6
155.03423	0.4
157.06352	0.4
159.07983	0.4
163.03833	0.4
165.01851	4.9
166.02594	1.2
174.06744	0.5
177.01901	0.4
179.03419	2.9
182.02069	1.0
183.02917	2.2
184.05186	0.5
185.06018	0.4
187.03911	0.4
193.04898	1.3
193.12283	0.6
197.04375	1.1
202.06168	0.4
203.07059	2.8
212.04742	0.6
213.05486	0.6
217.04913	0.5
227.03340	0.5
229.05070	0.4
230.05695	0.7
231.06487	1.0
231.59053	0.3
240.04193	1.2
241.04842	1.1
242.02374	0.4
244.03624	0.7
245.04430	1.3
257.04504	0.7
258.05255	1.8
259.06143	1.9
269.04367	1.3
273.03867	0.7
285.04010	2.7
286.04745	4.2
287.05527	0.7
296.03024	0.4
297.03958	1.8
309.07547	0.7
311.08878	0.7
314.04221	25.2
315.04651	1.1
327.04788	0.4
329.06567	100.0
330.06949	2.6
341.06418	0.4
370.10657	0.8
381.71921	0.4
385.12863	70.9
386.13266	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	385.1285
Annotation	Dulxanthone F
Peak:m/z	Relative Intensity
55.01880	0.6
56.33904	0.3
65.02660	0.3
65.03926	0.6
67.05479	0.4
68.91610	0.3
69.03407	0.7
69.07069	0.4
69.73375	1.6
70.24863	0.3
70.55612	0.3
71.18620	0.3
79.01836	0.9
79.05479	0.5
81.07024	0.7
86.02316	0.3
87.81100	0.3
91.05468	0.5
93.03406	2.2
93.07021	0.4
105.07033	0.5
107.01280	1.3
107.04957	0.7
109.06454	0.4
117.07001	0.5
119.08580	0.4
121.02155	0.3
121.02886	5.2
122.03602	0.9
135.08063	0.5
136.01511	0.4
137.02405	1.8
143.04884	0.6
149.02315	1.1
150.03113	1.7
151.03914	6.0
151.05089	0.5
151.07495	0.5
153.01799	1.4
153.20123	0.3
155.03374	0.7
159.04419	0.4
161.05998	0.6
163.03873	0.4
163.11163	0.4
165.01843	4.6
166.02621	1.4
171.04448	0.8
175.07500	0.5
177.05466	0.7
177.09091	1.0
179.03365	1.2
183.02892	1.4
184.05205	0.4
187.03815	0.6
188.04631	0.5
197.04382	1.0
199.03865	0.5
202.06204	0.7
203.07069	2.0
212.04657	1.0
213.05496	0.8
216.04164	0.5
227.03369	0.8
229.04965	0.6
230.05753	0.7
231.06555	0.9
240.04106	1.3
241.04874	0.6
244.03670	0.6
245.04503	4.3
257.04327	0.4
258.05194	1.6
259.06192	1.7
268.03775	0.3
269.04410	1.3
273.03857	1.0
285.03937	2.0
286.04782	4.2
296.03229	0.4
296.10263	0.3
297.03931	2.4
314.04242	24.9
315.04849	0.6
327.05011	0.4
329.06589	100.0
330.07025	2.4
342.93112	0.4
353.65530	0.5
355.08020	0.4
385.12866	83.5
386.13156	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	385.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
56.96568	1.1
63.23789	0.8
67.05490	0.8
69.03444	2.1
69.07068	2.7
69.59314	5.2
70.06602	14.0
72.08133	1.0
73.02910	0.9
79.05511	1.5
81.03420	1.3
84.08156	1.2
85.02895	3.4
86.09703	2.6
91.05500	1.7
93.07094	1.5
97.02905	2.0
98.97552	2.3
103.05470	0.8
105.07050	1.3
107.04987	0.9
107.08613	1.1
109.06511	1.8
110.07167	1.8
116.07124	1.0
117.93645	0.9
119.04974	1.3
121.10162	1.1
123.04337	1.4
127.03869	1.6
131.08592	0.8
135.04378	1.0
135.07974	1.2
137.02399	0.9
137.05952	2.6
139.03940	1.6
145.06555	0.9
147.04411	1.1
147.08047	1.9
149.05922	1.2
161.09634	1.6
163.03764	0.9
163.07495	1.4
163.11224	2.4
165.18198	0.8
167.07068	2.7
177.05481	5.0
179.03511	1.0
201.05513	6.7
205.12271	4.5
223.06302	1.6
223.09547	6.0
223.13304	2.7
224.03868	1.1
241.07382	1.3
269.10907	1.1
329.10019	1.0
385.14886	100.0
386.16287	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	385.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60653	1.4
55.01844	1.6
56.25640	1.4
56.96565	2.1
69.03423	2.8
69.07069	2.6
70.06601	31.7
71.55249	1.7
71.55640	1.4
72.08156	3.0
78.97456	1.1
81.03427	1.6
81.07006	1.4
81.82696	1.2
84.08154	1.7
85.02898	4.5
86.09713	2.0
86.60747	1.2
91.05492	1.6
97.02914	2.0
98.97589	3.5
105.07053	1.6
107.08600	1.3
109.06511	1.4
110.97553	1.3
113.61581	1.3
120.22463	1.1
123.04423	4.2
137.05936	2.6
139.03839	1.4
143.02997	1.3
145.10085	1.4
147.04408	2.8
147.07991	2.5
149.05916	1.8
149.09737	1.4
153.86125	1.1
159.11719	1.6
163.07547	1.7
167.07072	3.4
177.05492	16.4
184.00571	1.4
201.05469	5.5
205.08339	1.5
205.12245	2.6
223.09410	4.6
223.13246	2.6
233.64447	1.3
234.10963	1.7
243.41364	1.3
260.79614	1.4
265.07428	1.3
315.71530	1.2
329.10352	1.5
343.69098	1.3
385.15024	100.0
386.16205	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	385.1264
Annotation	Dulxanthone F
Peak:m/z	Relative Intensity
51.87769	1.5
52.98395	1.5
55.01891	1.5
56.96559	2.5
57.07081	3.4
63.66503	1.6
67.05505	3.4
69.03417	5.3
70.06586	3.5
70.68328	4.4
79.05511	2.4
81.07076	1.9
85.02908	14.9
85.06547	6.6
86.06882	2.6
86.09733	4.0
91.05485	4.4
93.07048	3.6
95.04960	3.6
95.08596	2.0
97.02883	3.5
98.20805	1.8
98.97595	3.1
105.07034	6.0
107.08620	2.7
109.06535	6.2
109.10235	2.0
110.97617	1.8
117.07056	3.1
119.08581	3.6
123.04423	2.7
129.07118	1.8
137.05898	2.5
137.09608	5.3
139.03922	17.5
145.08650	2.5
145.10129	3.5
151.03874	2.8
159.10181	3.0
160.10561	3.1
163.04002	2.2
163.07524	3.0
163.11198	4.1
167.07167	2.8
177.05649	2.4
195.69182	1.8
200.88795	2.1
201.05519	5.2
205.12286	10.4
213.03970	14.5
217.08472	2.1
220.66594	1.9
223.06075	2.8
223.09666	2.5
223.13324	34.4
245.06607	28.6
259.08453	1.8
279.10022	1.8
299.05634	5.0
300.06085	2.4
301.06061	5.1
301.09250	1.9
307.06100	2.4
309.12000	2.6
325.07297	2.3
337.07065	4.9
353.11105	30.5
367.08069	6.1
385.08261	4.1
385.13318	100.0
385.18420	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	384.1153
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
55.01871	1.2
56.34814	0.6
57.03431	2.5
69.03428	1.7
70.06600	0.7
73.02910	0.8
76.32899	0.7
85.02908	1.6
88.02187	0.8
91.05437	0.8
97.02888	1.1
98.97587	1.0
113.38328	0.7
121.05113	1.3
134.02705	1.1
135.06668	1.8
136.06197	20.7
139.03824	0.9
147.04439	5.0
148.04906	1.0
148.06175	6.5
151.04013	0.8
162.07765	38.0
163.03906	1.0
188.05673	11.7
192.05176	16.8
192.06885	1.1
206.06747	7.5
229.00224	0.9
234.06204	12.0
252.07300	100.0
253.07567	1.5
334.62482	0.7
384.11511	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	384.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.05516	46.1
56.96582	1.9
57.03445	1.6
58.99577	2.4
61.02921	1.3
69.03442	4.7
69.89742	4.7
70.06594	0.9
81.03412	2.3
83.08627	100.0
85.02911	16.7
86.99053	5.2
91.05468	1.1
97.02917	4.5
98.20804	1.0
101.09666	19.3
105.00096	9.0
109.02890	2.6
116.32963	1.0
123.64577	0.9
127.03961	2.4
136.06192	4.5
145.04945	3.0
147.04405	2.9
187.07889	2.3
205.08954	66.3
222.11607	49.9
222.13368	2.5
342.94504	0.9
348.14948	1.2
384.13379	5.0
384.17618	1.1
385.14499	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	384.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.5
55.01865	6.6
56.86197	1.4
57.03436	6.9
57.07077	3.3
61.02918	6.1
61.41989	1.5
68.99773	2.5
69.03436	32.5
69.21365	14.9
71.04991	4.9
73.02922	6.9
81.03431	24.1
85.02912	100.0
87.00839	44.2
87.04450	3.4
91.03994	1.6
97.02897	33.7
98.97594	2.6
99.04472	12.7
105.01876	67.2
107.04951	3.4
109.02895	28.5
116.95999	1.3
117.01864	3.2
119.10704	6.2
127.03926	78.4
129.01823	3.0
137.05983	2.2
139.03955	2.1
145.04979	32.6
147.02899	2.0
147.04427	1.5
153.05493	2.9
159.02911	10.9
189.03981	2.9
201.05440	4.5
213.03960	4.2
223.13216	1.7
231.04964	19.4
249.06059	4.5
302.47678	1.6
385.12909	2.2
385.18262	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	385.0316
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93257	0.7
70.18074	2.5
76.00936	0.6
95.26167	0.6
98.23297	0.6
98.97591	7.2
100.31502	0.6
101.00883	2.8
116.98606	3.2
119.01949	5.4
124.08420	0.6
134.99666	1.5
155.81224	0.6
158.99878	1.9
177.00983	13.6
178.01172	0.7
201.00966	2.2
217.04245	3.1
218.98898	0.9
219.02032	20.9
220.02133	1.9
225.01035	2.1
234.99916	1.0
243.02031	11.5
258.99896	4.6
260.00000	1.2
261.00180	3.9
261.03088	100.0
262.03217	5.1
266.03879	0.8
277.00940	4.1
278.01096	0.8
279.00607	3.3
282.99976	5.2
284.00052	1.3
284.04617	1.4
284.99808	3.9
286.99594	0.7
301.01007	5.3
302.01248	0.9
303.00809	3.9
325.01129	0.6
343.02072	1.8
367.02344	1.7
385.03320	17.2
403.04770	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	383.2585
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03942	5.5
55.01854	2.8
55.05530	18.3
56.92745	3.0
57.03428	3.2
57.07063	9.6
59.05004	7.0
65.03932	4.4
67.05516	42.8
69.03432	16.6
69.07053	7.9
69.27921	9.3
69.28342	16.3
71.04998	5.6
71.08588	2.7
75.13541	2.5
79.05501	29.4
81.06642	3.9
81.07064	39.5
83.04970	10.1
83.08643	6.6
85.02911	3.6
85.06558	3.1
91.05486	46.8
93.06481	5.7
93.07054	100.0
95.04972	27.8
95.08611	40.5
97.02930	2.7
97.06525	10.1
98.20776	5.0
103.05475	5.5
105.07040	76.3
107.04951	4.0
107.08604	37.7
109.02858	8.3
109.06526	25.6
109.10167	32.9
111.08083	9.6
115.05444	4.7
116.06278	3.7
117.07031	12.8
119.08592	49.3
121.06499	16.4
121.10148	41.4
123.08086	27.5
123.11671	2.8
125.09651	2.8
128.06238	6.9
129.06998	11.4
129.73120	2.7
130.07788	4.1
131.08577	26.1
133.06474	9.8
133.10123	28.6
135.08093	24.0
135.11688	7.5
137.09636	12.2
141.06996	7.0
142.07820	16.6
143.08560	23.9
144.09242	3.4
145.10130	37.9
147.08052	21.0
147.11659	12.7
149.09598	25.5
151.07561	37.8
153.09103	3.3
155.08585	7.2
156.09361	7.4
157.10143	43.0
159.08044	8.5
159.11710	15.2
160.08794	3.3
161.09634	15.8
161.13274	7.4
163.11185	8.9
165.01817	7.3
165.07030	3.3
165.09128	28.0
169.10167	10.6
170.10902	5.9
171.11662	9.5
173.09570	10.8
173.11845	3.3
173.13266	9.4
175.11215	20.8
175.14812	9.2
177.01852	19.6
177.09138	10.0
179.03406	3.2
179.08507	5.0
179.10677	3.5
181.10179	3.6
181.12146	3.3
183.11668	10.0
185.09619	4.0
185.13235	18.5
187.11255	3.8
187.14774	3.7
189.05396	3.5
189.12686	10.2
193.01315	4.0
195.02887	34.6
195.11813	3.2
197.13304	5.4
199.14771	3.3
201.12807	8.6
203.14346	26.2
207.06563	3.5
207.11804	5.2
207.13794	11.9
209.13240	7.6
209.15294	5.7
211.14697	3.4
212.02588	2.6
213.12724	7.2
215.14311	8.9
217.12228	3.8
219.06587	14.6
219.13795	4.5
221.13402	2.9
221.15382	67.0
227.14220	7.4
233.15425	7.2
234.16249	17.6
237.07562	5.3
237.14905	5.4
249.07578	12.0
263.09253	4.5
267.08603	4.9
267.76334	2.6
281.19080	6.4
285.18600	4.2
286.19186	4.3
287.19977	5.9
299.20035	4.7
300.20792	3.1
303.19641	6.8
309.18533	4.4
339.12225	11.8
347.23682	3.6
365.24554	17.6
383.15167	3.8
383.25784	68.8
384.26395	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	383.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.1
55.01853	2.6
55.05275	0.6
55.05513	5.8
56.06279	0.7
57.03437	1.2
57.07083	5.8
59.04986	2.8
61.02924	0.7
65.03914	2.5
67.05176	0.8
67.05508	14.0
68.99768	0.8
69.03437	5.4
69.07073	4.0
70.71899	0.9
70.72225	1.5
71.04978	2.3
71.15299	0.6
73.02892	0.8
73.06563	3.9
77.03906	1.1
79.05082	0.8
79.05496	12.7
81.03429	9.6
81.07061	13.0
83.01345	1.1
83.04985	1.9
83.08622	1.6
85.02885	1.2
85.06551	6.1
85.66033	0.7
85.81778	0.7
91.05486	18.5
93.03389	1.9
93.07050	33.2
95.04974	8.1
95.08619	13.5
97.02873	0.8
97.06544	3.3
99.08109	4.3
103.05482	1.5
105.03426	1.5
105.04491	1.1
105.07040	27.1
107.04953	2.0
107.08597	15.1
108.05687	0.9
109.02887	20.3
109.06535	9.8
109.10167	7.7
111.08074	5.3
115.05448	1.4
116.06169	1.0
117.07030	6.5
119.04916	1.6
119.07814	1.2
119.08589	16.9
121.02831	2.0
121.06504	10.0
121.10154	16.5
123.04364	0.9
123.08080	8.4
123.11658	0.7
125.09559	1.0
127.07558	6.1
128.06212	3.0
129.07016	5.0
129.81157	0.8
130.07777	2.1
131.08585	10.2
133.06551	5.0
133.07397	1.2
133.10120	9.6
135.08060	43.7
135.11697	2.4
136.08382	1.1
137.05977	1.4
137.09659	3.9
140.39088	0.7
142.07811	5.7
143.08559	8.1
144.09309	0.9
145.06487	1.6
145.09048	1.2
145.10127	13.1
146.07243	1.3
147.08049	9.0
147.11690	5.3
148.08812	0.9
149.02357	5.0
149.05913	0.6
149.09636	11.3
150.10297	0.9
151.07547	12.7
153.09196	1.2
155.08563	2.1
156.09355	2.6
157.10139	10.4
158.07318	0.9
159.08044	3.1
159.11702	4.6
160.08948	0.9
161.02312	1.6
161.05956	4.5
161.09630	6.2
161.13280	2.3
163.07565	1.2
163.11192	3.1
165.01871	9.4
165.09129	13.8
167.03419	1.7
167.08568	1.0
169.01389	0.9
169.10081	2.3
170.10875	1.9
171.08061	1.0
171.11684	3.0
172.12422	0.9
173.09692	3.6
173.13255	3.9
174.10384	0.8
175.03865	0.9
175.07532	1.4
175.11201	6.2
175.14815	2.6
177.01846	20.6
177.09109	5.6
178.09784	0.8
179.03354	0.8
179.08517	1.2
179.10715	0.9
181.10092	1.3
183.02905	5.4
183.11716	3.0
185.09621	1.5
185.13254	6.6
187.11169	2.3
187.14891	0.9
189.01852	17.1
189.03654	0.9
189.05481	7.7
189.12714	4.0
191.03461	2.6
191.14291	1.4
193.10236	0.9
195.02905	57.2
195.11664	0.9
196.03235	1.0
197.13290	2.3
199.11163	1.7
199.14812	0.8
201.12785	3.9
203.03389	3.9
203.14328	9.0
207.02908	9.2
207.06476	1.8
207.11877	1.3
207.13771	3.7
209.04573	1.0
209.13275	1.6
209.15355	1.1
211.11195	0.9
213.05449	1.1
213.12701	1.9
215.10780	1.1
215.14233	3.0
216.15099	1.8
218.13019	0.7
219.13878	3.2
221.13770	1.0
221.15382	27.3
223.93492	0.7
225.16405	0.8
227.14305	1.2
227.17706	0.9
231.06535	39.0
231.13864	1.6
233.15414	2.0
234.16167	6.1
243.13829	1.4
249.07605	100.0
250.07924	2.8
251.11320	1.1
257.08099	2.3
259.09717	1.8
263.14285	0.8
267.08640	27.4
269.12350	1.1
269.18942	0.9
271.17032	0.9
275.09091	2.8
281.18970	1.4
286.19168	1.7
287.20105	3.0
299.20016	1.6
301.20105	0.9
303.19519	3.5
311.09171	12.6
341.13748	1.1
347.23761	1.1
365.13986	2.9
365.24838	3.4
383.14920	23.1
383.25839	19.2
384.15298	1.1
384.26315	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58733	1.1
51.59724	1.2
53.03939	4.6
54.47696	1.0
55.01878	3.0
55.05510	6.8
57.03426	1.5
57.07063	6.0
59.05005	2.1
65.03942	2.7
67.05510	14.0
69.03428	7.7
69.07053	4.0
71.04993	4.0
73.06538	1.8
79.05500	15.4
81.03413	7.7
81.07063	18.6
83.04994	2.5
83.08616	1.3
85.06531	5.5
91.05495	24.3
91.45305	1.2
93.03403	3.0
93.07050	47.7
95.04974	10.6
95.08611	19.5
97.06550	6.8
99.08094	4.3
103.05482	2.2
105.07033	38.6
107.04973	3.1
107.08602	20.6
109.02881	15.3
109.06525	11.3
109.10175	10.1
111.08081	11.6
115.05452	2.3
116.72892	1.3
117.07024	8.9
119.08589	25.7
119.09378	2.6
120.09358	2.5
121.02866	2.4
121.06500	12.5
121.10162	22.5
123.08083	13.8
123.11726	1.8
127.07526	4.7
128.06235	2.9
129.06999	5.2
130.07823	1.4
131.08553	11.5
133.06500	6.6
133.10132	14.3
135.08064	45.0
135.11659	2.9
137.05951	1.5
137.09601	5.4
141.06943	2.3
142.07748	7.9
143.08583	12.3
144.09306	1.5
145.06490	2.5
145.10141	15.8
147.08063	13.1
147.11653	6.3
149.02350	10.1
149.09631	12.7
151.07570	18.0
153.09094	1.6
155.08557	2.3
156.09331	5.1
157.10155	15.2
159.08070	2.7
159.11703	7.4
161.05977	3.7
161.09613	8.6
161.13287	2.6
163.11171	2.7
165.01877	10.5
165.09111	20.9
167.03391	7.2
169.10138	3.7
170.10960	3.4
171.11707	2.6
172.08763	1.5
173.09578	2.5
173.13245	4.2
175.11247	8.4
175.14850	2.9
177.00435	2.4
177.01831	20.9
177.09122	7.7
179.03532	1.7
179.10555	1.4
183.02925	2.2
183.11668	2.3
185.09621	2.3
185.13254	7.8
187.11197	3.2
187.14738	2.1
189.01819	14.8
189.05482	9.2
189.12729	3.6
191.03314	2.0
191.14336	2.1
192.31239	1.3
195.02917	41.1
195.11765	2.3
197.13208	2.7
199.11108	2.2
201.12834	4.3
203.03418	3.9
203.14355	13.2
207.02905	5.8
207.06558	1.9
207.11612	1.5
207.13760	4.2
209.13333	1.4
209.15384	1.8
213.05499	2.2
213.12738	1.9
215.10785	1.3
215.14270	5.6
218.04427	1.3
219.13782	2.6
221.13531	1.5
221.15369	34.2
225.16338	1.3
227.14543	1.9
231.06534	39.7
231.13763	2.6
232.06993	1.9
233.15453	3.1
234.16190	6.6
243.13980	2.0
249.07608	100.0
250.07997	1.9
259.09674	11.2
267.08698	18.4
269.12427	1.7
281.19006	2.1
286.19437	1.9
287.20041	4.2
299.20151	1.8
303.19568	3.6
309.18338	1.6
311.09198	10.6
365.13773	1.5
365.24722	8.1
383.14981	19.6
383.25912	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	383.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.3
55.01882	6.5
55.05517	25.5
56.96563	15.7
57.03428	6.8
57.07062	5.3
61.02921	8.9
65.03923	4.7
67.05512	31.0
69.03423	19.7
69.07067	23.5
70.06586	5.9
71.01342	3.4
71.05002	23.7
71.55204	3.2
73.02933	4.4
79.05493	27.6
81.03426	20.5
81.07063	67.6
83.04973	9.7
83.08614	10.4
84.08144	5.0
85.02164	4.1
85.02898	23.1
85.06528	3.9
87.04431	3.0
91.05483	28.6
93.07053	45.1
95.04968	12.6
95.08621	36.4
95.20473	3.2
97.02912	20.7
97.06539	15.5
97.10177	16.8
98.97585	9.2
99.04440	6.4
99.08071	5.4
100.11249	3.2
100.98609	2.9
103.03943	8.4
103.05481	3.7
105.07027	43.9
107.04919	7.2
107.08603	46.9
109.02878	8.6
109.06508	12.1
109.10170	41.6
110.07217	4.0
111.04446	3.9
111.08070	6.1
115.03908	4.6
117.07030	11.2
118.06557	4.9
119.04951	7.5
119.08582	35.8
121.02811	3.1
121.06505	9.6
121.10148	30.4
123.04430	7.5
123.08071	12.1
123.11702	10.6
125.06010	4.0
125.09631	10.4
125.83379	3.0
127.03890	3.3
127.07540	2.9
127.11189	17.3
128.06157	4.4
129.07002	7.2
130.06586	3.7
131.04878	3.0
131.08575	16.8
133.10139	32.7
135.08061	9.5
135.11678	27.7
137.05994	8.5
137.09631	10.7
139.11110	5.6
141.06924	4.2
143.08562	13.5
143.10637	5.7
144.08104	3.6
145.04973	3.4
145.10109	21.2
146.06001	11.4
147.04431	6.1
147.08031	7.1
147.11702	25.3
149.09666	6.5
149.13264	14.1
149.96967	2.8
151.07518	6.8
151.11188	4.2
152.14340	12.5
153.12762	12.6
157.10127	13.8
158.99657	4.9
159.08090	5.4
159.11711	30.2
161.09705	4.3
161.13268	12.5
163.11180	8.5
163.14767	3.0
165.09149	4.0
165.12743	3.7
167.07028	3.2
169.10213	6.9
171.11716	10.4
173.09644	6.3
173.13277	8.5
175.03912	6.0
175.11212	6.2
175.14841	10.5
177.09053	5.0
177.12769	4.4
178.07748	3.8
183.11589	3.9
185.13206	3.9
187.11238	5.4
187.14903	4.8
188.07076	8.9
189.07056	4.0
189.12759	5.8
189.16440	3.6
193.15865	11.7
195.11690	5.2
195.17316	3.5
196.16945	7.5
197.13396	3.6
201.12732	4.4
201.16371	6.5
203.17896	7.9
205.06479	5.6
206.07202	8.0
207.06520	12.4
207.08214	3.5
207.11841	3.3
213.05431	3.6
213.16287	3.5
215.14218	3.8
215.17926	4.3
219.17581	5.3
221.18890	4.8
225.12843	4.6
227.18036	3.8
229.07510	7.5
233.18903	4.2
234.06752	16.1
235.07565	5.5
243.09012	8.3
245.19012	7.3
247.07704	7.1
254.17389	3.6
259.07556	2.8
259.13864	7.0
261.09250	5.0
261.14981	5.5
262.06265	16.1
263.06863	4.1
263.10727	4.5
263.20090	3.8
275.07092	4.3
277.08569	19.0
285.10040	5.1
287.20166	3.3
290.05515	7.1
293.07886	4.2
299.05399	5.8
305.08044	26.9
308.06686	17.1
311.19943	6.6
321.07620	7.6
322.08258	7.1
323.09375	16.0
329.20999	5.6
333.07635	9.2
336.06253	6.7
337.07031	7.1
339.20853	3.7
347.22107	6.9
351.08673	100.0
352.09247	6.9
355.11807	3.6
365.23282	7.1
383.11194	29.0
383.15366	8.2
383.24240	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	383.1491
Annotation	Abyssinoflavanone IV
Peak:m/z	Relative Intensity
51.02374	0.8
53.03927	0.6
55.01855	1.7
55.05504	1.3
58.68528	0.6
59.04990	0.6
67.01869	7.0
67.05509	14.1
68.99789	5.9
69.03406	2.0
69.06730	1.0
69.07069	15.1
69.86534	1.1
69.86924	3.2
70.91486	0.6
79.05472	1.6
81.03395	1.1
81.07041	2.4
83.08599	0.8
85.02882	0.9
85.06540	1.0
87.83011	0.6
91.05473	4.4
93.07032	2.2
95.04997	1.1
95.08595	1.3
97.02875	1.6
104.46681	0.6
105.07023	1.7
109.10159	9.4
115.05457	2.9
117.07047	3.2
119.08566	2.9
121.06525	1.6
123.04456	2.2
125.02348	1.9
127.03938	0.8
128.06229	1.1
129.01813	0.7
129.06940	0.9
131.04932	2.5
131.08641	0.9
133.06494	1.2
133.10062	0.7
139.03883	2.7
143.04887	0.9
145.06479	7.5
147.04462	0.8
147.08067	2.3
149.02296	0.6
149.05969	2.2
151.03929	1.6
153.01836	100.0
157.06494	24.9
159.08054	1.0
161.06006	1.2
163.03790	1.0
165.01851	2.1
165.07011	1.6
167.08600	0.8
169.06499	1.2
171.02916	27.1
171.04378	3.9
172.03265	0.8
173.05994	9.6
173.11761	2.2
175.07556	8.8
179.03403	22.1
183.02917	1.0
183.04411	1.6
183.08043	1.1
185.05975	1.9
185.09651	1.0
187.11115	1.0
195.08090	1.7
197.06003	6.5
201.05490	7.3
211.07541	3.6
213.05544	0.8
213.12741	2.8
215.07101	2.0
221.05989	2.2
221.09680	1.5
223.07558	2.6
231.06644	0.9
231.13821	4.1
235.07533	2.8
237.05412	1.3
238.06270	0.7
239.07068	3.5
239.10687	3.3
241.08603	7.3
243.06625	1.0
245.05986	3.0
249.05447	1.1
253.08647	2.1
257.08069	0.8
257.11838	1.8
263.07083	3.0
265.04984	1.9
266.05771	1.0
267.06601	2.6
280.07288	3.3
281.08057	3.9
283.06204	1.0
291.06543	19.4
297.07715	3.6
309.07590	40.2
310.07791	0.9
315.08481	1.1
327.08636	13.5
347.12894	1.5
365.13876	15.2
365.18100	1.0
383.11151	1.5
383.15030	22.7
383.24469	4.9
383.29791	0.6
391.37479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.9
53.75399	0.5
55.01891	1.9
57.03437	0.8
66.73878	0.5
67.01856	3.0
67.05508	1.7
68.99792	6.8
69.03424	1.6
69.07072	30.6
69.29878	4.4
69.30280	1.0
79.01848	3.6
79.05495	3.6
81.07063	1.8
83.01347	35.1
91.05488	1.6
95.01323	0.9
95.04977	1.2
95.08630	1.5
97.02914	2.4
97.06542	0.7
103.05447	3.1
105.07001	3.7
107.01326	1.8
107.04914	0.7
107.08632	0.6
109.10172	1.0
113.11819	0.5
115.05451	1.4
117.07005	1.1
117.89479	0.6
118.04174	2.5
121.06512	16.0
123.04389	0.8
125.02328	1.5
133.06497	29.9
135.00761	2.2
135.04370	0.7
135.08061	19.4
147.07942	1.3
151.00281	0.6
153.01839	5.3
153.09079	1.0
155.03354	0.7
161.05988	100.0
162.06360	1.1
165.19612	0.5
167.03421	3.0
169.01344	3.8
175.07481	0.7
179.03403	2.5
179.07019	0.7
181.01324	84.6
187.11221	0.7
199.02383	87.0
200.02687	1.3
207.00926	0.9
207.02898	18.8
209.04440	0.9
215.07848	0.6
217.12196	1.9
221.08051	1.9
231.06528	1.2
249.07585	12.4
257.08130	0.9
267.08667	7.8
275.09122	4.6
298.76468	0.7
315.08624	46.2
316.09085	0.9
325.39203	0.6
327.08542	1.2
365.13715	1.8
383.14764	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1491
Annotation	Abyssinoflavanone IV
Peak:m/z	Relative Intensity
55.01868	2.2
55.05503	1.5
56.96569	1.3
61.02917	0.9
65.03944	1.0
67.01871	6.6
67.05509	8.8
68.99796	5.8
69.03418	1.5
69.07074	15.7
71.04986	0.8
71.55547	1.0
71.82438	0.7
79.05484	1.4
81.03415	0.9
81.07051	2.4
83.08628	1.0
85.02885	1.7
89.59542	0.9
91.05482	4.5
93.07045	1.7
95.04976	0.7
95.08627	1.4
97.02890	2.1
98.97572	0.9
105.07047	2.3
109.10163	8.8
111.00763	1.2
115.05469	2.9
117.07004	2.6
119.08568	3.3
121.06570	0.8
123.00858	0.9
123.04414	2.8
125.02386	1.4
127.03924	0.9
129.07004	0.8
131.04930	2.0
133.06497	2.1
139.03914	2.4
145.06497	7.1
147.08104	1.7
149.05975	1.3
151.03874	2.3
153.01845	100.0
154.02138	1.4
157.05222	1.4
157.06505	23.2
159.08069	1.1
161.06007	1.4
165.01837	2.1
165.06970	1.6
171.02921	29.2
171.04396	3.5
171.13365	0.8
173.06007	8.5
173.11748	2.7
175.07570	6.8
179.03413	23.9
179.08516	0.9
181.06529	1.3
183.02951	1.4
183.04417	2.0
183.08076	2.4
185.05956	1.5
187.11136	1.2
189.05461	1.5
195.07983	1.0
197.06012	4.9
199.07521	0.8
201.05563	6.9
211.07547	3.5
213.12779	2.5
215.07060	2.6
221.06161	1.0
221.09674	1.4
223.07536	2.0
224.08516	0.9
231.13840	3.9
235.07559	3.4
237.05428	1.8
238.06160	0.9
239.07074	4.5
239.10680	2.4
241.08607	6.8
245.06036	2.1
253.08519	0.9
257.04620	4.4
257.08163	0.9
257.11743	1.5
258.05310	3.6
263.07047	3.5
265.04941	1.1
267.06512	2.7
280.07336	1.9
281.08063	3.7
285.07394	1.0
286.04785	4.6
287.05429	2.5
291.06570	15.9
292.06943	1.0
297.07611	5.4
309.07605	39.1
327.08624	11.1
339.78253	0.9
347.12762	1.4
365.13855	13.8
383.11096	10.2
383.15002	12.0
383.24237	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	383.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93023	1.8
54.03509	2.1
55.01878	3.8
56.96572	10.5
57.03432	5.0
57.80168	2.1
61.02918	6.3
67.76482	1.8
69.03435	12.9
69.22664	16.8
69.23079	3.3
73.02927	3.4
74.02446	2.2
74.95467	2.0
81.03432	7.4
85.00569	2.0
85.02920	38.8
89.03915	3.6
91.05497	7.7
92.01704	2.1
94.06580	3.7
97.02911	9.9
98.20743	4.6
98.97617	5.8
101.00896	8.7
103.03978	2.1
109.02919	6.9
110.06210	2.1
110.07153	4.1
114.97105	2.2
116.98630	4.1
117.03359	2.7
117.20542	2.1
118.06545	8.2
119.01943	16.1
119.04996	9.7
121.02879	4.5
127.03929	9.5
127.05029	3.7
130.06551	82.2
131.01892	3.4
132.04463	18.9
132.08116	5.9
136.06219	9.6
143.01912	4.1
143.03767	3.0
143.07338	3.0
144.06921	4.0
144.08089	23.3
145.02722	4.7
145.03639	3.4
145.06474	3.1
145.07616	21.8
146.06053	12.9
147.03299	1.8
147.04401	28.9
148.04793	2.8
148.07593	6.1
154.06540	5.4
155.01933	3.4
156.06697	2.7
157.06351	3.4
157.07631	68.7
158.06027	52.5
158.99580	3.3
159.09201	8.6
160.07608	4.2
161.02974	9.0
161.04834	3.4
169.07585	10.6
170.06049	4.3
171.09236	9.6
172.07564	11.0
173.03021	5.9
174.05553	7.7
175.08699	59.4
177.05475	13.5
181.07642	3.2
182.08418	6.9
183.09193	15.6
184.06183	3.6
185.03001	2.7
185.07092	17.8
186.05585	3.9
186.07884	3.6
187.04440	3.7
187.08745	3.9
190.98677	3.1
191.04861	5.9
192.05124	3.3
197.02995	6.0
199.08730	11.7
200.07080	19.1
203.04012	2.9
203.08188	100.0
204.06635	2.8
207.09129	3.1
209.07092	8.7
217.09734	35.7
221.02921	4.0
221.09235	46.7
225.03906	2.9
227.08153	9.5
228.06612	3.0
231.07669	6.4
233.03105	3.7
233.05096	5.1
234.06340	3.3
239.04071	3.5
245.05095	6.1
245.09268	20.9
251.08887	7.3
257.09155	2.5
263.10315	39.8
275.03931	2.6
281.04913	3.7
296.15628	2.1
299.10294	8.4
323.06006	7.5
323.09979	2.6
329.11456	2.7
341.07095	3.9
347.12524	9.6
348.10715	10.4
365.00388	3.1
365.13531	28.8
377.28171	2.2
383.08530	9.2
383.14035	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	383.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03558	2.9
51.43828	3.0
53.03930	3.5
55.01867	4.2
56.64296	2.8
56.71782	2.8
56.96559	3.9
57.03437	7.8
61.02923	7.6
63.07296	3.3
64.24320	3.5
66.93993	3.4
69.03436	18.0
71.54437	4.1
73.02909	5.9
74.02438	4.8
81.03426	19.8
84.08103	3.7
85.02911	44.9
94.06559	5.0
97.02914	20.8
98.97575	5.6
101.00832	3.3
109.02849	5.1
110.97555	3.6
118.06544	14.3
127.03922	11.0
130.06534	91.6
131.07330	3.6
132.04469	31.0
132.08089	12.2
134.06021	3.3
142.06480	8.6
143.07314	6.2
144.06863	9.1
144.08084	37.8
145.05064	5.7
145.07619	27.6
146.06017	34.0
148.07541	9.9
154.06573	8.0
156.06718	3.1
156.08061	5.2
157.07651	36.2
158.04796	5.9
158.06027	76.7
159.09212	20.6
160.07568	15.1
166.06470	4.1
168.08055	3.7
169.07635	22.6
170.05997	6.3
170.08392	9.2
171.09303	16.0
172.07582	19.8
174.05528	9.2
175.08682	89.6
176.07175	4.0
180.08081	4.3
181.07552	4.2
182.06023	6.8
182.08406	7.1
183.09232	20.5
184.06151	6.3
184.07617	12.2
185.07114	31.8
186.05513	8.3
187.08656	9.6
188.07030	7.9
196.03201	3.1
196.07669	3.8
197.07059	7.4
198.05501	4.1
199.08655	11.9
200.07121	15.8
203.08176	30.1
204.06570	6.6
207.09180	7.6
208.09865	5.1
209.07094	5.5
210.09114	4.8
212.07179	4.9
213.06516	4.3
215.08167	21.4
216.08954	11.3
217.09807	21.6
221.07239	4.7
221.09203	86.9
227.08180	5.1
228.06558	5.5
231.07613	24.3
233.09216	13.3
235.08621	4.2
237.10228	6.8
238.08684	5.4
245.09207	16.8
253.09851	5.2
257.09274	9.5
260.09143	4.1
263.10339	20.2
266.08078	8.0
269.09268	17.6
274.10733	11.1
283.10706	5.1
285.12610	5.9
299.10312	57.6
301.11847	7.4
302.09460	3.8
311.10184	8.8
315.30597	3.4
323.10300	24.1
329.11340	24.0
330.09860	15.6
347.12424	100.0
348.10654	8.1
365.13556	57.2
370.91284	3.7
383.14832	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45693	0.3
54.98648	0.4
55.59494	0.3
56.96570	7.7
57.10881	0.3
70.70606	0.5
70.70927	0.4
71.95264	1.5
81.68188	0.3
98.21224	0.4
98.97588	100.0
99.97932	0.4
116.98628	44.7
131.00195	0.4
134.99664	12.0
140.00209	0.9
145.74928	0.3
153.00713	1.0
174.97699	0.5
198.97647	0.4
216.98764	0.9
234.99854	1.5
240.98622	4.9
241.00809	0.4
258.99786	64.5
259.99918	1.8
260.99905	0.4
261.03055	1.0
263.02893	0.4
263.09277	0.3
273.01285	0.4
275.97925	0.3
277.00833	71.2
278.01007	2.0
282.01294	1.4
282.99942	2.6
284.99753	0.7
291.02271	0.4
295.01965	0.4
300.02444	1.1
301.01086	2.8
303.00760	0.7
357.96426	0.4
359.00803	0.7
359.99966	0.5
383.00006	1.8
401.01123	5.3
402.01254	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
56.96565	1.0
69.03456	0.5
69.88187	2.2
70.06590	2.0
79.05518	0.5
84.04486	0.6
85.02898	0.7
91.05477	1.2
98.97575	1.1
119.04939	0.9
119.08604	0.6
147.04427	3.4
148.04840	0.6
167.07106	1.4
203.14354	3.1
220.07365	0.5
221.07838	1.4
239.02258	0.9
249.66064	0.5
272.85492	0.5
331.35388	0.5
340.15112	0.7
346.07483	0.5
383.13153	100.0
384.13474	1.6
399.91684	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	10.5
61.02930	6.8
62.73299	3.0
63.65440	2.9
69.03433	17.6
70.23016	13.2
72.52036	3.3
73.02934	5.3
74.02457	6.4
79.38419	3.0
81.03433	22.2
85.02908	46.0
85.03378	4.6
91.05456	2.9
94.06541	4.6
97.02898	10.5
98.97601	4.9
99.04448	6.9
103.03945	3.8
115.03973	3.1
118.06564	19.5
127.03943	11.3
130.06537	100.0
132.04469	31.9
132.08095	16.0
134.06023	6.4
142.06561	7.2
143.07265	6.2
144.04440	5.6
144.06943	6.9
144.08090	36.9
145.05080	4.6
145.07632	33.7
146.06056	34.5
148.07605	13.1
154.06506	8.5
156.08078	9.2
157.07617	41.6
158.06029	84.8
159.09195	21.6
160.07605	7.6
161.03017	3.2
168.08046	5.0
169.07620	26.5
170.06062	6.9
170.08420	7.9
171.06824	4.0
171.09200	15.1
172.07594	22.5
172.08983	4.5
173.02969	3.9
174.05598	6.4
175.08691	86.0
180.08118	5.9
182.06100	5.9
182.08382	8.9
183.05154	3.7
183.09186	24.9
184.07631	12.3
185.07071	31.8
186.05576	4.2
186.09167	3.5
187.08696	12.2
188.07106	10.1
196.07637	4.7
197.07094	6.4
198.05531	4.3
199.08691	11.9
200.07123	15.8
203.08188	42.4
204.06572	4.0
205.03720	4.1
206.08502	4.0
207.09068	7.7
210.09225	5.2
211.08617	4.6
212.07164	6.7
213.06662	6.4
214.08598	3.9
215.08202	21.2
216.06821	3.7
216.08969	14.0
217.09651	22.1
219.09177	4.3
221.07149	2.9
221.09190	75.6
223.08786	3.7
225.09938	2.9
226.08871	4.7
227.08258	3.6
228.06638	6.4
231.07672	24.5
233.07076	5.7
233.09254	15.6
235.08737	3.6
237.10226	10.6
238.08679	8.5
245.09242	12.7
247.04816	5.2
247.08537	3.4
253.09825	8.6
256.09766	4.0
257.09241	12.8
263.10336	16.9
266.08203	5.1
269.09219	16.4
274.10718	10.4
275.10437	4.6
278.10452	3.8
283.10919	6.1
284.09094	7.0
285.12466	3.8
287.10266	3.8
299.10266	59.5
301.11865	9.2
311.10315	7.5
323.10013	18.0
329.11234	22.2
330.09671	10.4
347.12421	94.9
348.10785	9.3
365.13510	53.2
383.08121	3.7
383.14410	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	382.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23967	1.5
53.03960	1.7
55.01878	3.6
55.05509	8.7
56.05034	2.1
56.96577	1.7
57.03405	1.6
58.09481	1.5
65.95339	1.4
67.05502	2.1
69.03423	6.6
69.07069	13.1
70.06592	3.6
71.05003	2.8
71.55575	2.3
79.05484	4.3
81.03420	1.9
81.07052	8.7
84.08171	2.6
85.02911	6.1
86.06022	1.6
86.09715	1.7
87.04466	3.0
91.05479	5.8
93.07053	18.2
95.04945	3.4
97.02882	2.7
97.06520	3.0
97.10223	1.9
98.97618	3.5
99.08125	1.6
105.07021	1.9
107.08616	3.2
109.35859	1.5
110.07169	3.7
113.06013	33.5
113.06789	2.4
114.09445	1.6
115.03992	3.3
120.08094	1.4
121.10130	11.8
125.05993	16.7
127.03883	1.8
131.08580	4.1
139.11189	21.3
148.18829	1.4
149.09610	6.0
153.12726	2.5
154.26328	2.1
167.10681	37.6
185.11742	100.0
186.12080	1.8
188.09167	2.7
221.11427	2.0
251.06477	2.2
269.07220	2.6
305.88092	1.5
382.15543	10.2
383.16833	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	381.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53917	0.8
56.65866	0.9
70.44691	2.4
72.63364	0.8
80.24963	0.9
87.61646	0.9
91.34441	0.8
119.29432	1.0
201.01669	5.2
217.80017	1.0
219.02689	3.6
234.76411	0.9
235.45428	0.9
239.94319	0.9
276.22250	1.0
381.07983	100.0
382.08356	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64097	5.7
69.72138	33.3
70.07595	5.3
77.98484	5.8
79.83083	5.5
84.03325	5.9
98.21616	7.3
191.77199	5.1
209.26242	6.5
219.02864	9.2
233.41510	5.5
381.07953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.171
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
50.43279	1.7
56.96560	2.6
57.07080	4.7
62.55830	1.7
67.05476	1.9
67.50804	1.8
69.07074	4.1
70.02969	3.7
70.07735	7.8
72.04523	9.5
81.43504	1.7
85.02903	3.3
85.06538	6.3
85.07024	1.7
88.07674	2.3
90.05563	62.2
91.05503	2.1
95.04995	5.6
98.02434	11.6
98.97597	4.1
103.07606	5.0
104.46687	1.7
116.03444	7.6
119.04974	4.8
124.07628	10.7
142.08627	6.2
147.04396	10.9
166.16908	1.6
184.09718	10.8
190.74196	1.9
202.10745	23.6
220.11821	100.0
340.71774	2.1
373.49344	1.8
383.09598	5.1
390.62549	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	13.4
56.96576	7.5
57.03442	7.1
57.95543	4.0
60.04513	15.6
61.87789	4.1
67.05499	9.6
69.03424	16.7
69.07054	9.8
69.20520	35.5
70.06590	15.9
71.04980	18.8
72.08176	4.5
72.80426	4.0
79.05482	11.8
81.03407	4.7
81.07072	32.9
83.04971	13.5
83.06074	4.4
84.04507	4.3
84.08146	9.7
85.02911	30.7
86.06077	4.0
86.09696	12.0
91.05486	14.3
93.07055	22.0
95.04987	9.9
95.08616	11.8
97.02888	15.3
97.06527	16.9
98.97567	17.1
105.07073	9.3
107.08607	45.4
109.06520	9.6
109.10188	20.1
110.07171	42.0
118.24156	4.2
119.04961	7.4
120.08138	8.3
121.10167	29.8
123.08081	12.5
125.06007	5.4
125.09611	16.8
128.96320	5.2
131.08577	9.7
137.09616	17.9
139.03946	5.2
139.11191	29.4
147.04436	24.7
148.04762	9.1
149.09610	28.9
155.10690	14.5
156.07782	6.5
161.05946	4.7
167.09344	5.5
167.10698	100.0
177.05505	6.2
178.13435	8.5
185.11763	67.2
185.13306	3.0
203.12798	95.6
221.01198	4.0
223.15613	7.3
245.86842	4.4
251.14975	8.1
347.44189	5.0
364.01907	8.6
382.02832	4.7
382.11685	15.9
382.16211	19.4
382.28226	6.1
383.07773	5.0
383.13116	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	381.0586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99559	8.6
55.06430	7.2
60.78129	8.3
63.64528	6.7
67.05505	13.5
69.03436	7.1
69.43678	20.5
69.44109	34.2
70.06596	14.9
73.15697	6.9
79.05496	13.9
81.07064	16.3
82.75439	7.1
85.02905	15.3
85.33880	5.9
91.05492	19.2
93.07067	12.6
95.04973	10.8
95.08617	10.5
97.25243	6.0
98.97598	15.1
105.07037	14.1
107.08627	13.6
109.10152	21.2
119.08558	12.0
120.08979	7.1
121.10184	14.1
133.10139	24.9
134.10419	9.4
137.09590	9.6
151.11150	19.7
169.12234	17.8
170.12466	10.9
174.82468	8.0
187.13177	9.6
201.11212	11.3
202.11549	8.6
202.39235	7.4
219.00499	100.0
219.03705	7.3
234.38916	8.7
237.02826	9.3
267.07483	7.5
349.13657	9.7
353.09390	13.1
381.05392	76.9
381.15707	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	381.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68004	3.6
56.56344	3.5
58.08528	3.2
70.75053	9.4
70.75418	5.2
71.85388	3.4
79.47276	3.5
82.53594	3.7
93.06745	4.4
147.04413	5.5
217.10495	3.7
219.02679	4.6
235.03030	3.7
268.89233	3.9
303.02374	4.2
334.04712	3.9
352.44513	4.1
358.46490	4.0
381.07947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94307	1.5
56.96566	18.0
71.13436	1.7
71.27464	0.7
72.93797	2.1
81.03429	1.3
82.82674	0.8
84.08131	1.0
84.96034	4.8
90.94843	1.5
91.05482	4.6
97.02914	1.9
98.97592	28.0
110.97562	8.5
112.99158	2.6
116.98628	11.8
118.05630	0.8
119.04951	8.1
123.04424	1.0
124.99174	0.8
128.96399	2.9
128.98601	8.2
131.00195	2.0
132.95844	2.0
134.99698	1.4
139.03949	1.8
143.00151	6.0
144.95883	2.1
145.02867	1.1
146.99724	2.8
147.04422	22.8
149.01292	0.9
152.96306	1.2
158.97424	3.1
158.99649	4.2
161.01216	7.4
162.97014	1.1
162.99203	1.3
168.95845	1.3
170.97452	1.7
175.00745	1.5
176.98512	1.0
177.00769	3.1
179.02351	2.2
186.97047	1.3
189.00694	2.2
191.00220	1.6
193.01855	2.5
200.98718	4.4
201.00691	2.4
202.98030	1.3
209.01318	2.9
211.02834	2.1
216.98051	1.4
218.17546	1.0
218.97484	3.7
218.99745	25.9
219.01834	8.6
220.00226	0.8
220.99034	1.9
234.99005	4.6
236.98515	3.4
237.00719	100.0
237.02788	9.0
242.01234	1.0
255.01773	32.3
260.02435	2.8
260.98499	4.5
261.00900	3.1
271.00671	1.6
272.98630	2.8
273.03015	3.3
278.99277	1.6
279.01962	4.5
287.00153	2.6
290.99570	1.6
297.00311	0.9
297.03217	1.7
303.01999	1.7
304.88751	0.9
305.03479	1.9
315.01910	2.9
322.96573	0.9
333.00275	1.7
345.02957	3.8
363.04480	13.7
381.05106	43.9
381.11627	5.1
381.15689	1.2
399.05975	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	380.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.6
56.46181	1.5
67.05511	4.2
69.03441	13.6
69.07061	3.2
69.53218	6.3
69.53635	4.5
70.06591	2.9
71.05016	1.7
71.08565	1.5
79.05511	3.4
81.03417	3.7
81.07059	13.6
84.04534	2.2
85.02920	7.9
86.09707	5.6
87.10062	2.1
93.07064	4.9
95.04990	10.5
95.08620	4.3
97.02887	1.8
97.06558	2.8
99.04429	2.3
102.55653	1.6
107.08635	2.0
109.06531	66.7
109.10188	3.7
111.08092	2.1
113.06035	10.9
119.08555	3.0
120.08090	5.2
123.04437	5.2
127.03873	2.0
132.08144	1.8
132.67531	1.7
133.10081	1.6
136.07620	1.9
137.09644	6.8
155.10646	3.4
165.09128	9.3
166.08687	2.9
183.10182	100.0
185.10745	2.4
192.10341	2.2
197.09204	2.3
201.11258	23.9
201.16415	3.5
233.70016	1.5
238.49112	1.7
251.14014	3.2
263.08539	41.8
264.08954	1.7
321.07336	1.8
344.24387	1.6
352.09549	2.1
380.13327	40.8
381.09698	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	380.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
61.94764	8.6
66.11172	9.7
67.05504	19.6
70.98162	10.8
70.98489	11.2
74.05700	10.3
76.86539	8.7
81.07061	49.6
83.08592	13.6
85.02863	13.2
91.05474	16.3
93.07043	10.6
95.08619	15.5
105.07025	25.6
107.08593	20.9
108.92290	11.0
111.15121	8.0
121.10145	21.6
123.11700	100.0
126.99702	8.9
147.11719	64.8
165.12775	76.8
183.13817	80.7
201.11220	11.3
201.14845	45.2
261.95081	10.4
272.87012	9.8
293.74933	11.0
380.08661	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	381.0269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	1.4
55.93524	4.0
56.94308	3.2
56.96560	4.1
58.80590	1.1
60.04506	1.8
62.19428	1.1
69.03421	3.7
70.06577	2.4
70.95866	3.4
71.54823	2.0
72.93790	13.1
81.03408	3.6
84.04494	1.5
84.08138	2.2
85.02908	3.3
90.94827	5.9
91.05482	14.6
95.08613	1.5
97.02909	7.7
97.03449	1.5
98.97585	4.3
102.94818	1.7
109.02895	2.8
119.04943	40.4
128.96336	11.5
131.04962	1.7
132.95848	11.7
140.96326	1.9
144.95802	7.0
146.97392	3.4
147.04414	100.0
148.04738	3.0
148.99039	1.6
150.96918	2.7
152.96362	8.8
152.97458	1.2
158.97408	15.0
161.06006	1.7
162.96898	5.1
168.95844	3.9
170.97432	5.1
176.98499	6.1
177.05537	1.3
178.97894	2.2
186.96869	5.0
188.98566	1.7
189.05481	2.7
190.97980	1.9
192.99469	2.0
194.97443	2.1
198.96854	3.8
202.97905	5.6
206.97406	2.8
216.98000	5.3
218.97395	12.4
219.01648	2.1
220.99054	6.4
222.97110	1.8
224.98346	2.2
234.96690	1.7
234.98999	23.1
235.01244	2.2
236.98416	12.8
237.00752	6.4
246.96922	3.6
252.97920	1.8
253.00192	2.4
255.01788	3.1
259.00473	1.8
260.98450	20.2
261.07953	1.7
264.97958	4.6
271.00507	8.2
272.98438	9.9
278.99405	7.6
279.09109	1.7
287.00089	9.5
290.99594	4.2
302.99304	2.6
305.01059	5.5
314.99594	7.7
321.00665	4.0
333.00394	11.3
345.00586	8.9
363.01611	38.0
381.02652	16.7
381.11487	29.2
381.15405	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	380.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01874	7.5
56.96570	4.5
57.03436	3.2
60.04529	16.4
66.17371	1.8
67.05511	8.2
67.12463	1.8
69.03432	7.9
69.07076	3.6
70.06606	10.3
70.82246	5.9
71.04989	2.0
71.63971	2.2
72.08128	2.6
73.02911	2.6
79.05500	9.5
81.03429	4.9
81.07057	8.4
83.04987	3.7
84.04523	3.5
84.08160	5.8
85.02921	13.9
86.09711	3.6
91.05488	8.7
93.07044	6.2
94.06557	3.7
95.04978	33.1
95.08605	7.2
97.02878	3.8
97.06539	6.1
98.06069	2.3
98.20905	3.3
98.97591	13.7
99.04452	5.6
102.26844	2.1
105.07014	5.0
107.04951	2.4
107.08578	2.3
109.06561	2.4
110.07229	2.7
110.97581	2.7
116.98618	4.4
119.04967	8.3
119.08591	5.8
120.08102	2.5
121.06539	2.8
123.04460	4.1
123.08061	6.6
125.06104	2.3
127.07534	2.9
128.98592	3.0
129.10272	2.0
129.16280	1.8
133.65764	1.9
134.09921	2.1
136.07590	3.0
137.09630	5.4
139.03906	9.4
139.07552	100.0
143.07063	5.9
144.95894	3.2
145.02838	3.7
145.05009	2.6
147.04419	17.0
147.07990	3.0
154.15910	7.3
158.97401	2.8
158.99648	3.6
163.03938	3.4
165.09117	12.6
177.05478	4.7
183.10175	100.0
200.16504	5.8
201.11243	25.2
208.09622	3.1
209.01184	2.4
218.08110	3.3
218.17577	4.9
218.99644	4.5
219.01735	4.9
234.99025	5.4
237.00734	23.4
237.02844	4.1
255.01790	12.8
272.98309	2.3
278.10358	2.5
308.22449	2.5
322.08072	2.1
323.08917	2.8
325.05844	2.8
337.06503	2.3
344.24136	4.2
352.08850	9.1
362.25375	4.8
363.04419	3.4
380.08490	18.0
380.12955	4.2
380.26459	7.1
381.05069	10.1
381.15295	5.4
394.87830	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	379.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
55.01873	3.4
56.96560	2.2
61.37312	1.7
67.05518	3.9
68.05045	2.2
69.03419	4.2
69.07056	8.3
70.06586	4.9
71.05661	3.3
80.05022	3.3
81.03397	2.1
81.07050	2.7
81.30689	1.8
81.67769	1.7
83.04964	2.5
84.04475	2.7
84.08146	2.5
85.02901	3.8
86.09706	13.7
91.05495	13.5
93.07069	9.2
94.06583	11.2
95.04980	4.8
96.04519	15.1
98.97594	3.8
99.04434	2.5
105.07069	2.6
105.47545	2.0
107.08560	2.4
108.08105	3.3
109.06511	5.2
110.97612	2.2
111.04494	1.9
111.08086	10.1
112.07611	2.3
116.07098	2.1
116.98570	2.6
117.05716	1.7
117.06998	2.5
119.04911	2.7
120.04475	16.2
120.08154	2.5
121.02851	10.0
122.02416	2.4
122.06054	25.9
124.07540	2.7
134.09630	5.3
135.12140	2.0
136.03979	9.6
136.07573	8.3
137.05972	2.3
138.01868	5.3
138.05508	11.8
138.09155	4.0
139.07555	2.4
140.07082	12.4
140.48744	1.7
142.08688	1.7
146.02274	1.7
146.06001	3.5
147.04390	5.3
148.03900	3.4
149.05908	2.2
152.10703	4.4
154.05037	9.0
154.08640	6.1
162.05534	4.5
162.09152	35.6
163.06265	2.2
163.07512	3.5
164.03448	7.0
166.05002	4.2
170.04456	3.6
172.06081	22.7
178.05054	3.4
179.05690	2.9
180.10199	32.8
182.04407	2.5
183.10182	7.3
185.04211	2.1
185.08110	2.9
190.05026	13.0
190.08626	8.0
192.02809	3.2
192.10225	2.1
196.06102	9.4
198.07616	4.3
206.04471	18.1
208.09703	100.0
209.10182	2.1
210.11218	8.4
214.08670	2.0
216.08821	2.9
217.04767	5.5
222.07880	2.7
224.05524	5.8
233.02637	5.4
237.10249	3.1
240.08708	5.0
249.13484	5.5
251.08133	4.7
255.11269	2.2
256.09656	3.1
263.08444	4.1
265.09808	3.4
266.08115	2.2
267.08554	2.6
267.11255	14.5
273.12170	3.8
279.06662	2.6
283.10849	11.0
284.09128	6.0
291.14197	2.8
293.08514	5.4
295.06207	2.3
297.12335	3.0
298.10388	2.0
301.11823	5.4
302.10242	2.4
307.06042	6.9
308.06741	5.9
311.10400	9.0
312.08691	5.7
316.11774	3.8
321.07565	3.8
322.08163	6.9
325.11768	6.4
327.31927	2.1
329.11371	16.9
330.09677	4.3
333.07669	2.1
333.14401	3.1
337.11740	2.7
343.12909	38.1
344.11249	20.5
347.12396	16.5
351.08640	15.3
361.13986	35.3
362.13232	1.9
379.09592	98.2
379.14941	73.1
379.18909	2.6
380.12775	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	379.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03403	0.4
69.71623	2.5
70.06618	0.9
72.08151	0.5
81.07065	0.5
84.04506	0.5
84.08134	0.7
85.02930	0.9
85.80141	0.4
86.09709	1.8
91.05494	1.0
107.08556	0.6
119.04942	0.8
121.02863	0.5
122.06056	0.4
136.07573	0.6
145.02930	0.6
147.04431	1.8
151.26500	0.4
154.05026	0.7
158.99718	0.4
162.48593	0.4
169.02609	0.8
177.05498	1.1
178.04977	0.5
185.04218	6.1
199.14833	0.5
206.04515	0.5
208.09927	0.5
217.04755	5.5
233.02661	2.6
235.04684	0.4
249.13383	0.8
351.08731	1.7
379.10056	100.0
380.10135	2.8
397.09729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	6.5
67.05499	4.3
68.05046	2.4
69.07061	5.2
70.06599	2.9
71.54111	3.0
80.04996	2.5
81.03414	2.4
84.96040	1.9
85.02892	2.5
91.05492	14.0
93.07054	8.5
94.06565	10.7
95.04969	4.3
95.23486	1.9
96.04518	11.4
98.97595	9.8
108.08110	6.1
109.64252	1.9
110.06091	2.8
110.97551	2.8
111.08077	8.1
116.98613	3.8
119.04951	16.5
120.04491	14.0
120.08072	2.2
121.06506	3.9
122.06039	16.2
123.18939	1.7
124.07600	3.1
128.98563	3.0
134.09634	4.8
135.08072	2.8
136.03954	4.5
136.07579	9.5
137.05939	2.0
138.01892	4.6
138.05504	7.7
138.09171	2.3
140.07095	9.4
146.06000	4.7
147.03242	2.3
147.04427	45.0
148.03923	5.1
152.10780	2.3
154.05026	2.2
154.08611	9.2
162.05516	5.0
162.09166	38.5
163.07562	4.0
164.03429	4.1
169.02623	20.6
170.99718	2.6
172.06099	15.5
173.04892	4.2
177.05461	3.3
180.10197	26.4
190.04935	9.6
190.08665	6.7
191.05928	2.3
196.06105	6.6
198.07646	3.9
198.96654	1.7
206.04443	4.4
208.09697	100.0
210.11264	5.2
213.10104	3.3
215.01619	3.2
216.10162	2.8
217.07462	2.1
219.01805	4.5
233.02687	67.2
233.05005	3.3
234.99135	3.5
237.02806	7.3
238.08742	2.5
240.08781	2.0
251.08112	4.4
252.08899	2.3
255.11369	2.8
259.10861	2.1
265.09802	3.1
266.08011	2.8
266.10635	2.5
267.08792	1.7
267.11240	9.0
273.12286	2.3
279.05164	3.2
283.10880	5.5
284.09070	2.9
285.12445	2.9
287.10440	2.0
293.09158	2.2
297.12424	2.8
301.11826	6.2
311.10434	8.4
312.08658	11.1
319.10718	15.7
325.11917	7.9
329.11295	25.1
330.09644	13.2
337.11725	4.5
343.12897	34.0
344.11261	15.1
347.12357	16.0
348.10745	3.3
361.13953	26.8
379.06439	18.3
379.15012	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	379.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00459	1.3
54.80320	1.1
56.39927	1.2
63.24436	1.2
69.17886	13.1
81.90915	1.1
83.70829	1.1
91.05504	3.4
91.21572	1.2
121.02935	2.7
227.05362	1.4
271.04480	2.8
293.10141	4.5
295.06329	2.7
307.06253	4.0
308.06992	4.6
321.07773	2.0
322.08514	3.5
323.09253	2.2
335.11035	31.2
351.08652	8.2
360.18149	1.3
379.10147	100.0
380.10306	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.5
60.77626	0.8
64.14304	0.9
67.05497	1.3
69.03419	1.7
69.07068	1.1
69.53037	6.0
70.06601	5.0
79.05481	1.2
81.07047	2.5
84.04488	1.6
84.08134	2.0
85.02888	1.1
86.09687	3.4
91.05482	2.9
93.07040	1.2
95.04949	1.4
95.08566	1.3
98.20717	1.1
98.97611	1.2
107.35195	0.9
119.04953	1.7
120.04489	1.2
121.02868	5.6
121.10166	1.3
122.06011	2.1
125.05975	0.9
125.82964	0.8
127.03897	1.0
134.05997	1.4
135.37642	1.1
136.07593	1.7
137.05971	1.3
140.07069	1.1
145.02792	2.0
145.78531	0.9
147.04439	1.4
154.04997	1.4
154.08612	1.0
160.03868	0.9
162.09120	2.6
164.03578	1.0
172.06023	2.6
173.63707	1.0
177.05453	2.6
178.05002	7.1
180.10216	2.0
183.14815	1.1
185.04227	59.3
187.03883	1.2
189.01926	1.8
190.02640	1.1
191.03386	0.9
204.04149	1.2
208.09657	6.1
217.04727	15.5
217.06711	1.4
231.72366	1.1
233.02440	1.1
233.04442	2.9
238.07030	1.9
262.38229	1.0
279.06543	2.3
293.08133	2.7
295.06082	2.5
295.09430	1.7
305.07916	1.4
307.06024	6.1
308.06741	7.7
311.10410	1.3
321.07687	3.2
322.08298	6.7
323.09134	3.3
329.11087	1.2
335.05484	3.8
336.06244	1.6
343.12949	5.2
351.08664	15.5
361.13873	3.6
379.10178	100.0
380.10550	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04533	0.9
70.06620	0.7
70.98807	1.0
70.99124	1.0
74.65359	0.7
90.34524	0.7
91.04561	0.7
91.05486	12.2
95.50021	0.7
119.04955	21.9
147.04422	57.9
148.04761	1.0
169.02623	30.3
169.04065	1.6
183.90062	0.8
187.02271	0.9
187.03787	1.0
205.62218	0.8
215.01640	3.0
233.02696	100.0
234.03090	0.9
361.05084	1.6
379.06323	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	379.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79858	0.8
56.96572	0.9
58.64720	0.8
59.90959	0.8
61.77212	0.9
65.03941	1.4
71.15224	1.8
91.05485	8.4
98.97567	4.2
102.05420	0.8
104.94035	0.8
114.15325	0.7
116.98623	1.1
119.04963	20.1
124.99728	0.7
132.98003	0.8
147.04427	53.0
150.04425	0.8
158.99634	1.2
162.05574	0.9
162.09106	0.9
169.01228	1.9
169.02626	25.2
180.10201	0.9
187.03735	1.1
208.09674	2.0
215.01633	2.9
223.04410	0.9
229.03482	0.9
233.02707	100.0
247.04532	2.5
265.05505	2.7
267.00433	1.5
283.34036	1.0
285.01450	1.1
357.54163	0.9
361.04745	1.5
379.06430	22.4
379.14548	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97083	0.6
58.99869	3.4
59.88267	0.5
65.03931	0.8
69.60877	1.2
69.61288	3.0
70.99846	1.3
74.06077	0.7
77.00905	1.6
79.63403	0.7
82.99820	1.4
83.18039	0.6
84.35522	0.6
88.10901	0.6
91.05493	9.8
91.06034	1.2
101.00891	14.5
113.00877	2.7
115.02441	4.7
117.04033	0.7
119.01934	16.0
119.04956	22.8
126.98699	0.8
127.02416	0.8
129.00270	0.6
131.01924	7.7
132.30254	0.6
133.03471	5.7
137.02962	1.3
139.02370	0.8
143.01923	5.3
144.99854	1.7
145.03470	3.7
147.04416	100.0
148.04741	1.1
149.02962	1.5
157.03488	1.9
159.00179	0.7
159.01364	3.7
161.02957	4.7
167.07166	0.7
168.02620	0.6
168.99919	1.0
169.02597	1.9
171.01399	2.0
172.99367	1.2
173.02953	3.1
175.00880	0.7
175.04562	1.2
177.02457	6.3
177.03986	1.2
179.05583	2.0
181.03505	1.6
185.03127	1.2
187.00871	2.2
187.02452	1.6
189.02472	3.2
191.02118	0.6
191.04036	1.9
195.03441	0.9
197.06595	1.6
199.01166	0.6
199.04681	1.0
201.02444	2.1
201.47032	0.6
203.03999	0.8
205.01956	1.0
205.03503	15.9
207.05104	0.9
209.03062	1.1
213.13402	0.6
215.00375	2.2
217.01915	1.1
219.01677	0.9
219.03362	3.6
219.05316	1.4
223.04553	19.5
227.00363	6.1
229.01617	0.8
229.03569	9.8
231.03542	2.1
233.02747	6.9
237.06020	1.9
241.05583	5.5
245.01430	3.0
245.05243	0.9
247.04581	43.8
248.04813	1.7
249.04657	2.1
251.02422	1.2
253.07677	1.0
254.99841	3.4
259.03018	1.1
261.02505	1.5
261.06116	1.3
263.03925	0.9
265.05603	55.9
266.05777	1.1
273.00476	3.5
273.05826	1.1
277.04007	1.8
283.06625	9.5
287.02423	6.6
288.07220	1.0
289.05338	0.9
291.03305	4.3
305.03546	7.8
309.04456	1.6
319.08771	1.6
323.05890	0.9
327.05573	1.4
330.51059	0.7
337.09952	2.4
347.04599	0.8
365.09427	1.8
379.05646	2.0
379.10675	1.3
397.06210	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.087
Annotation	5,7,3',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
55.05511	0.6
56.96554	0.6
57.03443	0.5
67.05492	1.5
67.32999	0.5
68.99804	0.6
69.03436	1.0
69.07062	1.0
69.71947	2.4
70.06598	1.1
77.12250	0.5
79.05494	0.9
81.03435	0.6
81.07061	1.7
83.04984	0.5
85.02919	1.5
85.06555	1.2
91.05506	1.1
93.07055	1.0
94.06586	0.6
95.04939	0.6
95.08621	1.0
97.02867	0.6
98.21476	1.0
98.96780	0.4
98.97586	0.6
99.04447	0.5
105.07036	1.1
107.04946	1.0
107.08567	0.8
109.10191	0.6
119.08572	0.7
121.02867	1.1
124.62025	0.5
145.10213	0.5
150.03079	0.5
153.01883	0.6
161.02350	0.7
163.03947	0.5
168.00453	0.6
169.01346	2.1
176.04630	1.0
178.02621	0.8
181.01323	1.0
181.04959	0.8
183.02933	2.3
192.04134	0.8
195.02873	0.6
203.03381	1.4
217.05042	0.6
220.03677	1.1
221.04514	0.6
231.02982	1.3
241.04939	0.6
245.04428	3.3
248.03236	1.2
259.02438	1.3
261.03943	0.6
263.05615	0.8
270.05307	3.3
273.03973	4.5
274.04755	0.6
276.02667	3.0
285.03986	0.5
287.01883	0.8
288.06412	1.0
289.03534	1.2
291.05078	4.1
298.04611	2.2
301.03418	3.9
302.04291	0.6
304.02219	3.7
315.01208	1.0
316.02225	15.6
316.05811	2.3
317.02893	3.4
317.06216	0.6
318.03708	4.8
319.04477	5.2
321.07620	0.9
326.04349	0.9
329.02914	0.7
330.03687	1.1
331.04553	1.3
332.01797	1.0
333.02454	2.9
333.06210	2.2
344.05255	0.7
345.06024	2.2
346.03201	4.3
347.03989	21.9
348.04608	1.0
349.07159	1.1
361.05539	16.0
362.06348	16.4
363.06763	0.5
377.08731	100.0
378.08917	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1457
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
53.03928	1.7
55.01863	1.3
56.96547	0.6
57.00454	0.5
57.03444	8.0
59.05004	0.5
61.02933	2.8
69.03431	14.1
69.44879	4.1
70.06583	1.3
71.01366	2.6
71.05004	3.7
73.02930	2.6
73.58847	0.4
75.04459	2.0
81.03433	3.6
85.02899	1.2
86.09681	0.8
87.04451	0.5
91.05468	1.3
93.07043	0.5
94.06587	0.6
95.08622	0.6
98.20832	1.1
98.97548	0.7
99.04471	5.3
105.07005	0.7
107.08601	0.7
116.98636	0.5
117.05507	1.1
119.04946	0.5
120.08070	0.9
124.07623	0.6
130.06496	1.1
137.05978	2.3
145.07643	2.6
151.03908	1.5
157.06366	1.0
160.15057	0.5
170.07146	1.8
172.08713	31.4
190.09746	1.2
198.06604	6.5
198.10165	0.6
200.08220	4.2
214.09758	0.8
215.14845	0.8
216.05629	0.9
216.07712	17.7
229.03262	0.6
243.08795	73.8
244.07079	1.2
244.09265	1.2
257.12732	0.5
268.24710	0.5
297.09781	0.8
316.12927	0.8
359.13589	4.1
377.14581	100.0
378.14822	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0869
Annotation	5,7,3',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
56.96574	0.6
61.83486	0.4
66.59230	0.4
67.05525	0.4
68.99794	0.6
69.07068	0.6
69.82265	2.3
74.67049	0.4
75.43847	0.4
79.05475	0.5
81.07036	0.7
85.02906	0.6
91.05479	0.6
93.07070	0.5
95.08637	0.8
98.21410	0.6
98.97602	0.6
105.07041	1.0
107.04928	0.5
107.08649	0.6
109.58740	0.4
114.29681	0.4
116.98609	0.5
119.08598	0.7
121.02882	0.5
125.02273	0.5
138.37863	0.4
139.64066	0.4
141.01866	0.4
150.03102	0.5
151.04015	0.6
161.06000	0.6
164.04724	0.5
167.03271	0.4
168.00519	0.5
169.01382	2.0
176.04710	1.0
181.01349	1.4
183.02922	1.7
185.00859	0.6
186.01657	0.5
192.04126	0.6
195.03004	0.5
203.03484	0.6
217.04846	0.5
220.03650	1.3
221.04504	0.6
231.02962	1.2
239.84970	0.4
242.05780	0.9
245.04465	3.4
248.03192	1.1
258.05240	0.6
259.02405	1.1
261.04062	0.7
263.05536	0.7
270.05249	3.2
273.03918	4.1
274.04712	0.8
276.02707	2.8
287.01797	1.1
288.02856	0.6
288.06210	1.0
289.03488	1.4
290.04071	0.6
291.04956	4.0
298.04654	2.7
301.03403	3.0
302.04233	0.9
304.02115	3.8
315.01443	1.7
316.02216	16.2
316.05737	2.0
316.56750	0.4
317.02908	3.1
317.06287	0.8
318.03714	4.5
319.04501	5.7
326.04218	1.2
329.02969	1.0
330.04095	1.0
331.04422	0.6
332.01657	1.5
333.02411	2.4
333.06088	2.0
344.05280	1.5
345.06152	1.7
346.03195	4.5
347.04001	22.8
348.04398	0.7
361.05603	16.4
362.06345	17.9
377.08707	100.0
378.09015	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0871
Annotation	5,7,3',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
53.22692	0.2
58.30244	0.2
58.75596	0.3
59.42406	0.2
62.47042	0.2
65.03961	0.2
67.05474	0.2
67.40399	0.2
68.99788	0.5
69.03437	0.2
70.09719	0.9
79.05519	0.3
81.07047	0.3
85.02888	0.8
91.05476	0.3
93.07064	0.4
95.04974	0.4
99.76735	0.2
118.04199	0.4
119.04892	0.3
119.08670	0.3
121.02833	0.6
121.06515	0.2
123.04446	0.2
129.19913	0.2
131.42947	0.2
133.02882	0.4
135.04385	0.3
139.00278	0.2
147.04434	0.3
149.06007	0.3
150.03156	0.6
151.03940	0.6
153.05438	0.3
161.02269	0.3
163.03879	0.4
164.04796	0.3
165.01839	0.5
165.05568	0.2
166.99770	0.4
168.00597	0.7
169.01355	2.0
169.04987	0.5
170.83308	0.2
175.03922	0.4
176.04713	1.5
177.05461	0.3
178.02647	0.5
179.03360	0.3
180.04259	0.3
181.01312	1.6
181.04941	0.5
182.02119	0.3
183.02919	1.9
185.00835	0.6
186.01714	0.3
191.03464	0.3
192.04198	0.5
193.04979	0.3
195.02818	0.7
199.03912	0.4
203.03409	0.7
209.00716	0.4
215.03421	0.3
217.04967	1.1
219.02913	0.3
220.03676	1.9
221.04358	0.4
224.02972	0.2
225.04041	0.4
229.04953	0.4
231.02931	1.3
233.04495	0.4
241.04901	0.4
242.05750	0.7
244.03551	0.3
245.04480	3.7
248.03209	1.2
255.02881	0.5
259.02478	1.3
260.03339	0.5
261.04080	0.7
262.04623	0.3
263.05594	0.7
269.04480	0.4
270.05344	3.5
273.03955	4.9
274.04654	1.2
275.01987	0.5
276.02698	3.1
277.03326	0.3
283.02377	0.3
284.03348	0.2
285.04028	0.4
287.02039	1.3
288.02676	0.8
288.06317	1.2
289.03479	1.6
289.06830	0.5
290.04053	0.3
291.04971	4.1
297.03876	0.3
298.04791	1.9
299.05347	0.3
300.02631	0.3
301.03442	3.7
302.04266	0.7
303.05042	0.7
304.02164	3.1
313.03372	0.2
315.01328	1.6
315.05042	0.7
316.02225	16.3
316.05786	2.1
317.02902	2.8
317.06607	0.8
318.03732	4.3
319.04529	5.8
321.09622	0.3
325.03851	0.2
326.04221	1.1
327.04932	0.4
329.02997	1.0
330.03577	1.2
331.04489	0.7
332.01727	1.4
333.02408	2.8
333.06131	1.8
343.04443	0.5
344.05466	1.4
345.02484	0.3
345.06067	1.4
346.03214	4.5
346.07281	0.4
347.04016	23.2
348.04535	1.1
356.50687	0.2
361.05576	16.7
362.06339	18.5
363.06879	0.4
377.08710	100.0
378.09000	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	376.212
Annotation	DHEA-7-CMO
Peak:m/z	Relative Intensity
55.01849	0.3
55.05506	0.9
56.96553	0.5
66.68976	0.3
67.05508	2.7
69.07057	1.3
71.04996	0.5
71.55003	0.4
79.05492	1.9
81.07064	6.1
83.04977	0.5
83.08600	0.5
85.06544	0.5
91.05480	3.2
93.07055	2.7
93.16448	0.3
95.04968	0.5
95.08598	1.4
97.02900	0.3
103.05463	5.6
105.07048	3.3
106.73373	0.4
107.04911	0.8
107.08613	1.0
109.10180	0.3
117.07057	0.3
119.08583	3.0
120.08111	100.0
121.08456	0.7
121.10143	1.9
123.08076	0.4
123.11694	2.0
130.00935	0.2
131.04950	1.0
131.08542	0.3
133.10057	0.3
137.05995	0.3
147.04373	0.3
147.11691	4.5
149.05991	0.8
150.03069	0.3
165.12747	2.7
166.08646	14.0
183.13835	0.4
229.14395	0.5
284.20102	2.4
294.18643	0.5
295.17004	0.7
312.19577	14.8
330.20639	8.6
358.20166	0.8
376.07623	0.8
376.25180	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.4
55.01664	2.7
55.01877	28.8
55.05516	100.0
57.03726	3.0
57.07061	3.0
66.22884	2.9
67.05509	25.8
69.03420	3.9
69.07059	23.1
71.16255	7.5
76.02380	3.1
79.05495	20.5
81.03422	13.3
81.07053	32.3
83.04977	7.0
83.08622	46.7
91.05482	32.0
93.07048	20.0
95.04976	6.1
95.08605	18.6
97.06537	55.7
97.10143	4.2
103.05441	3.3
105.07047	42.5
107.04942	14.3
107.08598	13.2
109.10155	5.8
111.09197	5.2
117.07029	6.2
119.08603	19.3
121.10193	5.8
123.08059	3.6
125.01320	2.8
125.09650	3.1
131.08562	15.4
133.10143	28.3
135.08061	3.6
135.11673	6.3
139.07568	4.4
145.10129	14.0
147.11674	11.3
149.09634	10.8
151.11177	4.4
157.10182	5.3
159.11697	5.2
163.11256	3.4
165.09149	3.1
169.02623	3.0
171.72351	3.0
173.13249	3.4
177.12766	3.5
179.14317	10.4
197.17973	3.1
247.20575	4.8
257.19031	8.1
275.20087	68.1
375.29395	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	376.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60906	1.0
54.05457	0.9
56.96553	1.4
57.03436	1.8
60.04515	2.2
61.02917	3.5
61.89443	0.9
69.03434	6.1
69.25008	8.7
70.06599	4.6
70.80666	1.0
71.05004	1.2
71.06912	0.9
72.08186	1.0
73.02928	1.6
74.06083	1.4
81.03416	3.6
84.04501	1.9
84.08141	2.4
85.02909	24.7
86.09717	3.1
91.05495	1.6
97.02900	7.0
99.04472	1.6
100.50053	1.1
105.07101	1.7
109.02899	2.6
116.07082	2.4
122.03726	0.9
123.04469	1.4
127.03924	3.9
137.05989	100.0
138.05263	1.2
138.06284	1.2
145.04974	6.1
145.71733	1.0
151.11198	2.0
159.11555	0.9
161.09615	2.1
168.06624	0.9
177.05537	1.1
179.07068	36.8
179.10675	40.0
179.38626	0.8
180.08647	1.5
187.10780	1.4
197.08128	3.3
197.11700	1.4
203.14029	1.0
206.50053	1.0
215.10323	2.1
255.11386	2.0
348.25958	1.1
376.13229	1.7
376.18967	1.1
377.17883	2.9
384.24130	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41620	6.0
53.47478	5.1
55.01879	10.8
55.05512	14.2
60.15477	5.3
63.66594	5.2
67.05518	36.6
68.66661	6.4
69.03448	13.1
69.07061	31.9
70.06602	7.1
71.04980	10.1
71.10366	13.3
72.93727	6.6
79.05518	11.1
81.03408	8.4
81.07064	28.0
83.08625	8.4
85.02895	19.7
85.06570	7.0
91.05487	72.6
93.07052	36.4
95.04987	13.5
95.08617	59.1
97.02879	8.6
97.06497	6.7
99.08090	12.5
100.33511	5.8
101.02384	14.6
105.07050	20.8
107.08611	29.1
109.10164	32.7
111.08102	8.1
116.33062	5.9
119.07787	9.9
119.08585	82.7
120.08104	5.4
120.08941	7.9
121.10147	55.7
123.08055	6.8
129.07063	7.3
131.04918	6.5
133.06458	7.1
135.11681	13.1
137.05980	22.8
137.09628	77.9
137.13234	6.6
139.03914	100.0
141.01779	7.1
147.04343	7.8
147.07983	13.9
147.11548	7.1
149.13228	6.3
151.03925	23.5
157.51157	5.9
161.06018	10.6
163.03938	16.9
165.09177	13.7
167.07124	10.1
167.10649	6.8
175.07602	8.7
177.16418	83.5
183.10231	6.5
195.17482	25.2
199.05809	6.9
201.11206	55.1
209.68344	6.2
211.13271	8.9
212.13597	9.0
213.13828	10.7
213.18498	27.5
220.68466	5.8
221.00952	6.0
289.06754	8.9
304.94360	6.2
339.12152	10.3
357.13269	16.2
357.17908	5.9
375.10281	21.3
375.18887	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	375.2381
Annotation	Manglieside C
Peak:m/z	Relative Intensity
52.74806	1.2
53.03939	2.3
55.01883	7.5
55.05515	19.8
57.03441	7.2
57.07067	3.8
59.04992	4.1
61.02931	8.5
66.56706	1.2
67.05523	8.0
69.03077	2.2
69.03437	32.4
69.07074	42.4
70.60364	3.9
71.05005	9.8
72.77402	1.1
73.02914	5.5
79.05511	7.4
81.03423	12.8
81.07063	27.7
83.01338	2.0
83.04995	9.3
83.08643	9.0
85.02914	78.7
85.06079	1.9
85.06551	27.2
87.04487	6.1
91.03942	4.0
91.05469	4.2
91.30035	1.3
93.07053	15.7
95.04972	2.2
95.08618	44.0
97.02908	24.3
97.06525	5.0
97.10186	11.0
99.04459	4.5
99.08105	25.1
105.07016	3.4
107.08607	26.6
109.02901	8.1
109.06495	2.0
109.10172	18.1
111.08076	4.1
111.11753	6.0
113.09664	7.9
119.08554	1.8
121.10152	36.7
121.11025	1.9
123.11729	9.6
125.09625	8.7
127.03934	15.8
127.11166	1.4
133.10150	1.8
135.11711	19.3
137.05969	4.9
137.13283	23.7
138.06322	2.5
139.11182	8.2
145.04973	14.9
149.13248	5.4
151.03896	2.5
151.14827	6.9
153.12744	13.9
177.16405	100.0
178.16716	1.3
180.28275	1.2
195.17468	43.1
213.18527	45.4
262.37421	1.2
324.86710	1.1
338.11475	2.5
375.09399	1.6
375.14456	1.7
375.23865	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	375.238
Annotation	Manglieside C
Peak:m/z	Relative Intensity
55.01868	5.8
55.05512	11.2
55.50275	3.5
61.02922	3.8
67.05507	7.1
69.03416	4.0
69.07064	12.8
69.22652	13.3
69.23080	22.1
70.06606	4.6
75.38186	3.5
81.07063	18.6
83.08617	6.9
84.08174	4.2
85.02904	13.4
85.06539	6.0
86.09708	5.6
91.05469	5.2
93.07050	20.8
95.04978	5.7
95.08621	31.2
97.10178	4.6
99.08105	21.1
105.07031	4.8
107.08598	29.0
109.10158	10.5
111.08100	8.8
113.09670	3.6
119.08615	5.2
120.08107	4.6
121.10153	48.2
124.07574	4.2
125.09676	4.0
135.11685	11.9
137.05983	4.7
137.13297	5.1
138.09164	4.0
175.94424	3.3
177.16391	100.0
181.04968	3.6
185.19003	3.6
195.17453	15.3
196.17502	3.5
213.18526	30.6
214.14368	17.2
375.08694	12.9
375.13895	3.7
375.19632	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2018
Annotation	Dictamnoside N
Peak:m/z	Relative Intensity
52.88123	1.7
53.03955	2.2
55.01871	7.1
55.05518	14.7
56.96583	2.6
57.03439	4.3
59.15374	2.0
61.02921	3.2
64.61227	1.7
65.03946	1.8
67.05518	9.8
69.03431	14.1
69.07081	5.4
70.83621	1.6
71.04996	11.7
71.56491	4.5
73.02923	2.5
79.05479	6.2
81.03432	6.3
81.07070	14.7
83.04985	3.2
83.08604	9.7
85.02910	30.0
85.06521	2.1
85.92768	1.8
87.04463	4.5
91.05474	6.0
93.07047	8.9
95.04958	4.0
95.08601	9.3
97.02911	12.0
97.06545	23.9
97.10183	14.5
98.97593	4.6
99.04485	4.0
105.07040	5.1
107.04987	3.4
107.08595	12.3
109.02884	3.8
109.06518	3.0
109.10164	8.2
111.08062	4.8
116.98672	2.2
117.07066	2.9
118.93769	1.8
119.08597	3.6
120.08066	2.3
121.06552	2.2
121.10165	9.7
122.19688	1.8
123.08064	2.7
125.09631	12.1
127.03916	7.9
129.07034	2.6
131.04834	2.0
131.08545	3.0
131.24373	1.9
133.10144	2.2
135.08044	2.8
135.11751	3.1
137.05988	12.6
145.04955	6.0
151.03934	6.4
157.06566	2.2
159.08090	2.2
159.11682	2.4
163.07570	2.9
167.07051	5.4
175.07724	2.0
177.12784	2.1
177.16402	12.4
189.09152	2.1
195.13771	13.3
195.17371	3.4
213.14857	100.0
237.14856	4.6
255.15858	2.2
278.85367	1.8
321.17221	2.5
346.25085	1.8
363.32275	1.9
375.08994	2.6
375.14703	2.9
375.19711	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	375.1442
Annotation	Saucerneol I
Peak:m/z	Relative Intensity
50.36499	1.6
53.03934	2.2
55.01865	3.6
55.05506	5.2
55.06879	1.7
56.12783	1.6
56.96559	3.9
57.03436	3.2
66.26698	1.8
67.01833	1.4
67.05501	10.5
68.41620	1.8
69.03446	4.6
69.07074	72.9
71.04996	2.7
71.34509	1.9
71.34851	2.7
76.59398	1.6
79.05480	3.8
81.03423	3.3
81.07060	5.6
83.04986	6.1
83.08633	2.1
85.02922	12.2
85.06571	2.6
86.46968	1.7
87.41126	1.5
88.84356	1.7
91.05494	5.7
93.07059	5.1
95.04985	6.3
95.08608	11.2
97.02865	3.4
98.97617	3.7
99.04477	2.0
103.05497	2.1
105.03385	2.7
105.07052	5.6
107.04951	4.5
107.08604	5.8
109.02880	3.3
109.06525	2.0
109.10106	4.2
111.04467	5.7
113.60602	1.6
115.05450	1.7
117.07050	1.5
119.08575	6.9
121.06527	1.7
121.10154	3.7
123.04436	100.0
123.08054	6.2
123.11740	2.1
125.02347	17.6
127.03921	2.3
129.58856	1.7
131.04909	2.5
133.06488	5.4
133.10100	4.7
134.06081	2.2
135.04424	4.8
135.11711	2.6
137.02361	1.8
137.06009	10.0
139.03899	7.5
143.04898	3.8
146.06026	2.5
147.04373	8.4
147.08134	3.0
149.02330	8.8
149.05980	2.7
151.03911	3.9
151.07530	18.0
153.05434	11.9
157.06477	2.1
161.06004	3.8
161.09579	2.5
163.03882	1.9
163.07541	2.6
165.05501	20.2
165.09148	3.2
167.03415	44.5
167.07065	9.2
175.07568	4.9
185.05997	2.4
189.05492	48.5
189.09111	2.2
191.10802	1.8
193.08647	21.4
203.06958	2.6
207.10193	4.2
211.07611	2.4
231.09068	2.4
235.09584	8.1
240.24060	1.7
241.07506	2.5
243.06598	2.5
253.04842	2.2
253.10757	4.4
257.08115	19.8
259.08621	5.4
271.06018	59.7
285.10162	4.2
289.07043	31.8
293.11932	2.7
295.13364	4.2
297.11093	1.8
311.12793	25.1
321.11200	5.4
339.12268	34.3
357.13242	18.0
357.20401	2.6
375.14444	8.4
375.19879	39.4
375.24374	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	374.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	18.5
55.01867	18.8
55.05498	46.9
56.96552	22.2
64.19902	18.5
67.05508	100.0
69.07057	37.1
71.04980	70.7
71.55537	22.5
79.05489	62.6
81.07063	66.5
83.08602	34.3
91.05465	33.7
93.07054	69.0
95.08604	50.2
97.10155	35.7
99.30898	15.8
105.07034	32.6
107.08617	46.3
109.10165	60.9
119.08603	47.2
125.09640	33.1
149.13264	18.7
155.10707	19.1
173.11755	62.6
177.12691	32.4
187.13293	43.2
203.12767	24.6
222.08153	15.2
227.72575	14.9
241.17871	23.7
246.58749	18.8
265.46811	16.2
275.20175	45.6
346.11060	25.5
346.61578	18.6
349.96466	16.1
351.19931	17.5
354.13583	17.4
384.31195	16.9
385.18732	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	374.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	46.6
55.92074	15.5
56.96572	19.7
67.05517	100.0
69.07068	29.6
70.26805	16.8
70.78713	15.9
71.04991	85.5
71.15605	14.9
71.55447	30.0
79.05511	40.1
80.35793	18.4
81.00755	15.3
81.07047	47.2
88.64581	15.7
91.05492	44.4
92.37410	16.2
92.93716	15.3
93.07027	56.3
95.08614	45.3
97.06526	20.3
97.10146	24.4
101.71715	16.5
105.07024	21.4
107.04931	29.7
107.08585	73.9
109.10160	76.6
109.47235	17.4
115.77307	16.4
119.08592	24.5
121.06551	25.1
121.10110	23.1
125.09618	34.6
133.10138	16.6
135.11665	22.1
137.05980	19.5
173.11742	80.9
177.12703	26.6
187.13301	78.3
202.76172	16.4
203.12823	20.8
237.18689	19.7
241.17987	34.0
247.12097	18.5
268.59659	16.7
275.20139	46.0
289.21542	17.4
312.36914	15.7
313.55615	18.6
351.14865	22.4
369.15778	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	375.1266
Annotation	Dercitamide
Peak:m/z	Relative Intensity
52.05358	0.4
56.96559	1.1
57.07079	0.7
60.91626	0.4
62.82599	0.4
69.03435	0.9
70.06585	1.3
71.06203	0.9
72.08154	0.9
84.04494	0.6
84.08131	0.7
85.02911	1.7
86.09695	1.3
91.05465	0.7
97.02893	0.8
98.97587	1.1
119.04929	0.5
127.03870	0.7
129.10280	0.5
137.06015	1.1
147.04401	0.9
153.01836	0.8
159.11346	0.5
163.00040	1.0
164.12843	0.5
167.07068	1.3
177.05522	1.3
178.05891	0.8
199.02176	0.9
199.09431	11.1
239.08620	0.5
241.10481	1.3
375.12622	100.0
376.08905	0.6
376.13245	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
56.96554	1.0
57.03424	0.9
61.02927	0.8
62.06097	1.5
63.62167	0.5
68.05059	0.8
69.03416	2.0
69.07073	1.3
70.06597	6.6
71.12117	0.8
71.12439	0.9
72.08159	3.1
73.02898	1.0
73.28324	0.6
81.03427	1.6
81.07047	1.0
81.18150	0.6
84.04515	0.7
84.08121	2.1
85.02922	3.1
86.09715	9.5
87.05572	0.7
91.05471	0.8
93.07049	0.9
95.04903	0.7
96.04449	0.6
97.02889	1.6
97.80222	0.6
98.97579	2.4
103.05521	0.8
103.38381	0.6
107.04983	0.6
107.08568	0.7
108.04469	1.8
109.02926	0.7
110.07160	2.7
110.97603	0.6
112.08708	1.0
112.20216	0.6
120.08115	2.7
131.04936	0.9
136.03961	1.8
136.19711	0.6
137.06000	4.3
151.03912	1.7
151.07330	2.4
157.13371	2.2
165.06642	1.0
166.08681	1.5
167.06940	1.5
173.09254	2.4
177.05542	0.7
179.06998	1.0
179.10672	0.8
185.04205	2.4
195.06409	1.7
201.12457	1.0
207.07689	1.4
213.07353	100.0
214.07605	1.1
219.01855	0.7
225.08704	1.4
237.02893	1.0
254.17502	1.7
293.09039	1.1
331.13275	1.1
375.12268	13.6
375.16196	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	374.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78135	0.5
53.41654	0.6
57.03437	3.4
67.01828	0.6
69.20296	5.8
71.01365	3.7
72.47118	0.5
73.02937	5.3
74.47588	0.6
76.78956	0.5
78.03454	4.8
79.04257	0.5
80.05033	3.1
85.02425	1.2
85.02905	10.9
86.66061	0.5
91.05506	1.2
95.01356	4.9
96.04503	2.3
97.02885	1.2
97.98448	0.6
98.21459	1.2
99.00822	0.8
101.02377	1.9
103.03950	1.4
106.02918	18.8
113.02368	5.2
119.04934	1.2
124.03963	100.0
125.04298	0.6
131.03438	1.8
132.22455	0.5
141.01843	9.9
147.04416	6.5
156.13266	0.5
159.02924	2.2
180.06570	16.9
195.98608	0.6
198.07634	84.6
199.07915	1.1
212.09242	0.9
330.07657	0.5
374.10760	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	374.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01870	1.7
57.03431	1.7
64.14471	1.5
65.03953	2.1
69.03433	20.9
69.07056	3.5
69.43809	12.8
70.06589	2.0
71.04997	3.5
81.03426	13.1
81.07085	2.4
84.04504	7.0
85.02908	19.6
86.09708	24.7
87.00842	11.6
87.04478	1.8
91.05488	100.0
91.47784	1.5
92.05728	1.8
97.02901	32.2
99.04465	12.2
102.05556	5.0
105.01859	10.5
109.02877	3.2
120.08207	1.6
127.03928	38.9
129.06668	1.8
132.10208	6.7
137.06010	3.4
138.09171	1.7
145.04977	23.1
149.02304	3.8
157.43159	1.6
197.12811	6.3
201.05515	2.9
202.05858	3.1
212.12857	3.9
215.13887	8.6
231.05019	17.3
243.13351	3.2
249.06096	7.0
319.03226	1.6
374.07446	2.6
374.17993	6.6
375.09030	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	374.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
55.01871	2.8
57.03447	2.3
57.24072	0.9
61.02932	2.4
64.68542	1.0
65.03950	2.3
68.99789	2.1
69.03442	15.1
69.51149	2.6
69.51575	4.4
71.05014	2.2
73.02921	3.6
78.39145	0.9
79.65312	0.8
81.03429	10.9
85.02913	43.9
86.09705	3.1
87.00837	21.9
91.05489	100.0
92.05820	1.0
97.02898	16.6
98.21477	2.0
99.04462	6.9
103.03984	1.2
105.01874	26.0
105.06997	1.6
108.04475	1.9
109.02892	13.6
115.03938	1.0
117.01855	1.7
126.05527	1.9
127.03933	32.2
129.06998	1.2
145.04982	15.3
145.06575	1.4
151.03973	1.1
159.02921	7.6
171.08119	2.4
175.07553	1.8
189.04027	2.5
199.07556	1.1
202.31137	0.9
213.04044	1.2
215.13927	1.0
217.08548	1.7
231.05058	9.3
249.05975	2.2
291.75793	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01861	1.3
57.03433	1.1
61.02922	2.3
69.03440	3.9
70.94359	2.1
73.02898	0.8
74.00804	0.8
81.03399	1.2
85.02918	14.6
89.03916	4.8
91.03950	1.5
97.02894	5.2
98.64803	0.8
99.04508	1.0
106.04166	0.9
109.02865	0.9
117.03376	15.9
119.04995	0.8
122.81184	0.7
127.03924	3.2
134.03639	1.4
135.04393	1.2
139.58119	0.7
145.02853	44.9
145.04953	2.5
149.05974	6.4
162.03168	1.2
163.03923	2.3
177.05482	100.0
178.05830	1.1
178.31575	0.7
180.08665	2.1
195.06546	46.7
195.73512	0.7
207.49251	0.7
374.18726	2.9
375.12549	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37464	0.4
55.05485	0.5
68.29379	0.4
70.06567	0.6
70.80122	1.1
71.51738	0.5
75.46376	0.4
75.58932	0.4
83.62926	0.5
86.09706	1.0
91.05478	0.6
98.97555	0.5
98.98491	2.8
118.06555	3.7
125.00019	8.2
132.08102	1.5
134.09656	0.8
144.08084	8.2
145.08907	0.5
146.09599	1.2
158.09715	2.5
159.10451	0.9
162.09158	2.6
172.11246	2.0
176.10773	2.2
176.14362	18.1
190.12285	1.5
192.06236	0.5
194.11609	0.5
202.15926	45.4
206.27853	0.5
212.04027	0.6
220.16986	100.0
221.17278	1.5
231.03972	0.5
300.13580	8.3
300.16794	0.7
356.16263	0.8
374.17328	17.5
393.06857	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	34.6
57.07079	3.0
61.06256	1.9
67.05499	2.7
70.06591	6.5
70.49238	4.4
71.05759	2.0
71.08617	2.2
71.95263	3.4
79.05515	2.4
81.07076	3.9
84.96067	2.3
88.07647	5.2
93.07054	4.6
95.08606	4.6
98.21426	1.9
98.97582	1.9
109.10182	2.1
110.97586	13.8
128.98643	15.7
132.10207	4.2
137.02812	2.8
146.99667	8.3
150.11301	5.3
167.76752	2.0
189.04323	2.2
212.95778	2.0
263.09607	5.1
269.12360	7.7
303.12592	2.4
315.16324	51.6
331.15979	3.6
333.17374	100.0
334.17545	2.4
351.18420	32.8
356.18921	17.4
374.20181	2.6
374.36313	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	374.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	1.2
71.13232	1.7
86.09731	0.9
90.19617	0.9
91.05493	14.4
107.87095	0.8
119.04952	27.8
127.03922	2.4
147.04422	100.0
177.05458	2.3
188.30173	0.9
195.06535	1.0
205.22365	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06591	2.5
71.54346	2.7
78.67669	1.8
84.04502	2.1
84.08148	2.6
85.02895	2.5
91.05472	13.1
101.00880	2.7
115.02409	3.2
119.01917	8.2
119.04952	28.8
124.03960	3.5
133.03526	4.4
144.99834	3.9
147.04416	100.0
148.04738	3.2
161.02916	2.7
177.02420	3.4
187.00868	3.9
189.02495	3.1
198.07608	3.8
199.00804	2.3
215.00412	6.5
215.88187	2.1
219.03375	2.5
227.00362	2.1
230.65643	1.9
247.02893	3.2
257.01740	2.2
301.00272	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2225
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
53.03951	3.8
55.01869	2.8
55.05517	12.9
56.96562	1.1
57.03435	2.5
57.07067	4.9
59.05009	1.7
61.02940	3.7
62.25797	1.0
62.79753	1.1
64.10226	0.9
67.05512	11.8
67.65810	1.0
69.03435	17.6
69.07075	41.9
69.07460	2.0
70.11567	4.6
71.05000	7.3
73.02946	1.8
79.05503	4.9
81.03430	13.2
81.07073	11.9
83.04991	2.3
83.08623	18.5
85.02911	22.4
85.03380	2.0
85.06550	6.8
87.00826	1.0
87.04447	1.2
91.03926	1.8
91.05482	3.7
93.07052	11.8
95.04967	6.1
95.08614	16.9
97.02914	8.2
97.06518	2.2
98.97604	3.2
99.04470	12.8
99.08105	100.0
101.06016	1.2
105.07018	6.3
107.08620	10.4
109.02881	4.9
109.06554	3.1
109.10171	24.5
111.04480	2.1
111.08121	2.9
119.08609	8.5
121.10148	5.2
123.04489	1.4
123.08074	3.1
123.11732	3.9
125.09622	3.7
125.13268	2.6
127.03930	10.9
131.08565	1.1
133.10136	7.6
135.11717	15.3
137.06006	6.8
137.09625	10.1
145.05014	4.2
145.99229	1.1
147.11678	2.9
149.13284	1.7
151.07549	2.2
151.11214	2.6
151.14824	1.2
153.05417	1.3
153.12819	1.4
155.10686	11.6
158.99719	1.7
161.05966	1.6
165.12794	1.2
167.07080	2.0
172.05742	1.4
175.14818	10.4
176.12991	1.1
184.55336	1.2
187.06026	1.3
193.15906	23.1
211.16957	35.3
213.04001	3.6
231.05045	15.4
313.11719	3.1
355.11920	2.2
373.14023	3.9
373.22314	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	373.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
65.11829	1.1
67.05515	2.1
69.03427	2.8
69.07070	4.4
70.34622	4.4
71.04996	1.6
75.07443	1.2
79.05513	2.2
81.03437	1.6
81.07073	10.1
85.02916	11.5
91.05487	3.7
93.07056	8.8
95.08616	15.6
97.02902	3.1
99.08102	3.7
105.07041	11.8
107.08604	9.8
109.06491	1.4
109.10183	2.9
113.09620	2.1
119.08593	46.1
123.11669	2.6
127.03934	1.6
128.04974	1.0
131.08591	1.1
133.10139	60.7
135.11713	11.7
137.05983	3.3
137.09692	1.8
143.81413	1.1
145.05006	2.0
147.11699	3.7
172.30621	1.3
175.14836	100.0
176.15176	2.0
193.15860	10.3
201.05464	2.4
211.16898	4.6
226.60080	1.5
313.11572	1.5
325.18378	1.1
341.67841	1.1
373.13550	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03807	18.4
66.17380	15.7
67.05499	26.7
69.03403	15.8
71.55718	16.9
79.05519	22.4
81.07069	23.6
85.02906	30.0
86.09704	24.7
91.05443	19.2
91.51422	18.6
95.08630	39.2
99.08162	23.5
104.67069	16.5
105.07041	22.1
107.04974	25.9
107.08623	20.4
109.10152	94.9
111.04442	28.3
119.08614	19.1
121.10182	18.9
123.04477	23.1
123.11700	18.7
135.11719	65.2
137.06004	100.0
145.06558	17.0
145.18674	19.2
147.04424	19.1
161.06146	18.7
167.07080	27.3
175.14795	45.1
181.45221	15.9
193.15942	39.4
211.17017	65.5
221.11024	21.3
239.07094	26.2
246.13397	16.7
265.08575	18.8
311.05588	20.6
313.11841	21.6
343.11676	39.2
373.05399	31.6
373.13730	72.6
373.18002	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	373.2224
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
50.34771	2.0
52.77927	1.8
55.01871	2.7
55.05507	10.9
57.07089	2.3
61.02944	3.0
67.05514	20.4
69.03416	11.0
69.07072	6.2
69.54502	10.2
69.54911	5.4
70.06580	2.9
71.04980	5.5
74.18841	1.8
77.36166	2.2
81.03407	6.9
81.07066	17.4
83.04990	17.2
85.02492	3.1
85.02921	27.7
85.06538	5.0
86.09701	4.6
91.05464	3.2
93.07056	14.0
95.04980	36.2
95.08624	23.4
97.02888	10.2
99.04449	8.6
99.08103	98.9
107.08624	14.1
109.02879	2.9
109.06520	6.4
109.10168	69.4
119.08585	9.6
121.10149	4.5
123.08096	2.3
123.11705	6.3
127.03928	6.4
129.65994	2.2
129.94389	2.3
133.10117	8.6
135.11707	11.7
137.05946	4.6
137.09631	54.0
145.04984	6.0
151.11215	3.4
155.10686	23.8
160.56413	2.2
165.16396	4.2
171.25281	2.3
175.14856	13.4
177.05501	2.8
179.03394	6.5
193.15903	82.0
201.05539	3.5
211.16939	63.5
222.08786	2.4
225.37431	2.2
373.18341	100.0
373.21896	4.7
374.18796	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27777	0.3
53.03913	0.3
55.01860	0.5
55.05495	0.8
61.02907	0.3
65.03938	1.0
67.05489	1.2
68.99763	0.4
69.03428	1.0
69.07052	0.7
70.06592	0.6
71.04988	0.3
71.15866	0.6
78.23186	0.2
79.05486	0.6
81.03442	0.5
81.07063	0.8
83.04980	0.5
83.06083	0.4
84.04459	0.3
85.02921	2.2
85.06548	0.6
86.09705	2.0
90.00060	0.3
91.05478	0.9
93.07042	1.0
95.04970	2.3
95.08593	1.5
97.02905	0.6
99.04461	0.6
99.07484	0.5
99.08095	6.0
105.03407	1.3
105.07024	0.7
107.04918	0.3
107.08592	0.7
108.02090	1.3
108.04444	0.4
109.10161	2.0
111.04456	0.5
119.04941	0.5
119.08605	0.7
119.41993	0.3
121.02879	1.0
121.03976	0.3
123.04427	0.4
127.03938	0.5
129.06573	0.4
132.10226	0.3
133.10146	0.8
135.11678	0.8
137.05992	2.6
137.09625	1.6
139.49210	0.4
145.04906	0.3
145.06502	0.3
146.06078	0.3
147.04419	0.4
149.02344	8.0
149.06015	0.5
151.03888	4.0
151.04967	0.4
154.02676	0.4
155.10649	1.0
173.06029	0.8
175.07466	0.3
175.14798	0.8
177.05450	0.4
178.07692	0.3
179.03403	100.0
180.03737	1.9
186.03133	0.3
193.11993	0.7
193.15852	2.5
197.12978	0.3
201.05464	4.7
203.05199	0.4
205.06538	0.5
211.16924	2.2
219.06497	0.6
227.07115	0.3
234.06923	0.3
237.09140	0.3
250.06334	0.3
253.08498	0.3
286.44449	0.3
290.05795	0.4
292.07153	0.3
293.08084	0.6
297.11206	0.5
307.09619	0.8
310.08417	0.3
314.10092	0.4
325.10721	1.9
355.11880	0.5
373.07294	0.8
373.13492	1.8
373.18332	20.7
374.18723	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04436	0.5
54.64925	0.4
56.96558	0.6
59.17974	0.5
70.06583	0.8
70.66622	1.2
70.66969	0.6
84.08114	0.5
85.02885	1.4
86.09715	0.8
91.05483	0.9
94.49843	0.5
97.02901	0.5
111.57601	0.5
137.05960	1.7
145.02843	0.7
153.12949	0.5
176.50293	0.5
177.05479	3.1
177.06902	0.5
193.11966	0.7
195.06458	0.9
201.05377	0.6
203.05289	4.8
204.59296	0.5
211.13089	0.7
242.37000	0.5
373.18359	100.0
374.18774	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1835
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
55.01880	0.8
56.68504	0.8
57.04763	0.7
63.44586	0.8
67.00357	0.8
69.03447	0.8
70.06587	3.3
72.08169	4.8
84.08138	1.3
85.02926	1.5
85.06561	0.9
86.09714	10.2
91.05483	2.1
93.07056	1.0
95.08660	0.9
99.08126	1.8
107.05001	1.1
107.08624	1.5
119.08639	0.7
121.06538	0.9
127.03993	0.9
129.10229	1.7
133.10129	1.3
137.06010	3.4
146.06015	1.1
157.13463	1.1
163.07608	0.9
175.14830	0.8
185.12996	0.7
189.67328	0.9
193.15991	1.0
201.05577	1.8
203.05272	0.9
211.13110	1.4
213.67575	0.8
226.03133	0.7
313.12415	1.7
373.14499	6.4
373.18414	100.0
374.18604	1.3
392.25693	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03708	1.3
53.03942	8.3
55.01872	3.2
55.05511	20.9
56.96563	1.9
57.03431	4.0
57.07081	9.6
59.04980	2.0
61.02918	3.0
67.05236	1.1
67.05513	12.8
69.03088	1.6
69.03436	31.1
69.07075	77.9
69.39050	3.0
69.39452	8.8
71.05003	11.7
71.08630	1.6
71.43188	1.2
73.02923	1.4
77.64516	1.3
79.05489	4.6
81.03425	19.3
81.07062	16.2
83.04985	3.2
83.08630	31.2
85.02911	23.3
85.06557	6.0
87.00832	2.1
91.05474	7.2
93.07050	13.3
95.04974	8.3
95.08609	16.5
97.02896	8.6
97.10184	2.2
98.20764	2.8
98.97594	1.9
99.04462	21.0
99.08102	100.0
105.07012	6.2
107.08610	10.1
108.28638	1.1
109.02885	5.9
109.06512	3.8
109.10165	21.8
111.04430	1.4
111.08083	2.5
113.06030	2.6
119.08579	8.4
121.10147	6.8
123.08120	1.7
123.11694	5.5
125.09648	3.0
125.13259	4.7
127.03928	24.1
133.06497	1.5
133.10168	6.5
135.11713	15.7
137.05983	5.7
137.09627	10.4
145.04987	5.9
147.04349	1.6
147.11676	4.8
151.11111	1.5
153.05437	1.3
153.12717	1.9
155.10693	16.4
161.05939	1.8
163.11098	1.5
165.12727	4.3
165.16426	1.4
167.07062	2.0
175.14835	10.0
187.06061	3.0
193.15901	25.1
201.05479	2.8
211.16948	34.2
213.03900	7.9
231.05011	32.1
251.16537	1.4
253.09479	1.6
290.59946	1.3
313.11835	4.3
313.37125	1.2
355.11914	2.4
355.17438	4.5
373.13824	11.9
373.22171	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	373.1837
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
59.69152	0.4
60.18584	0.5
61.51241	0.4
64.61264	0.5
70.79775	1.3
72.08138	1.4
83.15813	0.4
84.08153	0.8
85.62542	0.5
86.09690	1.2
89.18494	0.5
95.04991	0.5
98.97588	0.6
137.05986	2.0
139.04399	0.6
149.09622	1.1
149.35851	0.4
164.23663	0.5
201.05510	1.2
203.05418	0.8
210.65669	0.4
355.11853	0.7
364.48120	0.5
373.18375	100.0
374.18872	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1286
Annotation	3,5,6,7,8-Pentamethoxyflavone
Peak:m/z	Relative Intensity
53.03941	2.3
55.01877	1.3
55.05496	1.4
56.96545	1.4
57.03434	1.2
65.79349	1.1
66.11115	1.2
67.05503	7.1
68.99776	2.3
69.03429	2.8
69.07072	16.8
70.69874	2.3
70.70206	2.7
71.04994	4.8
79.05502	16.1
80.12980	1.3
81.07059	3.5
83.01334	1.5
83.04969	3.7
85.06545	2.4
91.05479	2.2
93.07016	2.8
95.04987	7.1
97.02879	1.3
97.06541	39.7
97.58701	1.1
101.02438	2.0
103.05511	2.1
105.07025	3.8
107.04972	19.1
109.06470	1.6
111.00823	17.4
111.04481	3.0
113.06021	13.0
118.04163	2.9
121.06531	1.6
123.04450	10.6
125.06004	16.0
127.07567	1.6
129.05499	2.2
133.06500	28.3
135.04405	5.6
135.08061	16.7
137.06003	5.0
143.07103	2.2
145.06477	2.4
149.05960	3.1
153.05482	100.0
154.05818	1.8
161.05997	83.5
171.06551	2.1
175.04015	1.5
177.05457	2.2
178.99767	38.8
189.05612	1.7
193.05013	3.0
197.00833	59.6
197.04623	1.8
206.02208	2.4
211.06071	6.9
213.07787	1.3
221.04477	68.9
239.03116	2.7
239.05534	52.3
241.12230	5.1
243.06621	2.1
247.06113	7.9
247.08340	1.5
257.06589	45.3
257.10577	2.0
269.10721	3.4
283.12265	1.7
287.05487	3.9
287.11743	1.4
301.13242	3.2
303.08752	2.0
313.10748	2.8
327.12115	1.7
331.11740	5.5
355.11673	4.8
373.12906	24.4
373.17801	2.4
382.41998	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1497
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
51.32032	3.7
53.03734	3.7
55.01873	10.2
55.05500	4.1
57.03428	9.2
57.07088	19.3
57.98212	3.6
61.02921	4.6
65.03938	6.1
67.05512	22.8
68.99777	5.9
69.03430	10.4
69.07064	4.7
70.69810	4.4
71.04996	8.4
71.14346	6.8
79.05507	4.7
81.03416	8.8
81.07060	10.0
83.04989	4.5
85.02914	38.4
85.06552	46.8
86.09737	9.6
87.04430	6.1
89.03970	4.6
91.05464	9.9
93.06989	5.1
95.04948	6.0
97.02895	11.6
103.03951	5.9
104.13332	4.0
105.07017	7.7
107.04942	5.3
107.08582	5.5
109.02896	14.1
109.06507	13.9
119.08612	6.8
121.06539	8.2
121.10098	5.1
123.04412	19.9
123.08081	5.4
127.03922	12.9
127.07574	15.7
131.08615	6.1
133.06519	5.4
135.08044	6.2
137.02365	4.3
137.06018	28.2
145.02914	5.0
147.04443	30.8
147.08041	10.4
149.06076	6.3
151.03912	13.5
151.07582	7.0
153.05498	7.6
159.08093	5.3
161.06017	17.2
163.03943	7.9
163.07570	13.9
165.05516	5.5
171.08037	8.1
173.06004	11.6
175.03976	6.3
175.07599	11.4
175.14781	4.3
177.05539	9.2
177.09090	5.8
183.11610	5.1
185.06041	4.3
185.09616	4.2
187.07541	5.5
189.05533	6.6
189.09123	28.9
191.07025	9.3
192.04163	4.2
193.08659	27.6
199.07567	7.0
201.05504	37.4
203.06909	4.5
203.10677	5.0
205.08621	38.4
211.09679	90.9
211.12865	5.9
215.07045	6.3
217.08656	43.4
219.06618	6.7
223.09627	43.4
227.07300	4.9
229.08626	11.3
231.10225	12.6
235.09677	100.0
243.10182	6.7
247.09918	9.1
253.10754	54.0
259.09671	17.8
265.08545	9.2
271.09616	30.1
277.10751	82.0
283.09720	13.1
289.10706	53.6
293.08051	5.6
301.10672	35.8
313.11761	7.0
319.11859	27.6
325.10727	8.9
337.12836	18.8
373.13971	16.3
373.18484	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	373.1498
Annotation	Multifidol glucoside
Peak:m/z	Relative Intensity
55.01881	0.9
55.05508	2.3
56.10551	0.7
57.03425	1.6
57.07065	2.5
65.03911	0.9
67.05509	13.5
68.99788	1.6
69.03432	2.2
69.35711	6.5
76.74364	0.8
78.33337	0.9
79.05500	1.8
81.03456	0.8
81.07065	4.8
83.04916	0.7
85.02890	3.4
85.06548	32.8
86.09688	1.0
91.05468	1.4
93.07043	1.5
95.04923	1.0
95.08588	1.8
97.02217	0.9
97.02872	1.5
98.21522	1.5
99.08087	1.8
105.07016	1.7
107.08604	2.8
108.04462	0.8
109.06512	11.5
109.10194	0.8
112.35359	0.8
119.08574	2.3
123.04440	14.5
123.08073	4.1
125.09640	2.5
127.03958	3.9
127.07570	14.0
129.65044	0.8
133.10136	3.2
137.05977	5.7
139.03894	3.7
140.06909	0.7
147.08067	1.5
149.05988	1.5
151.03917	1.6
151.07532	2.9
152.47026	0.7
153.05505	0.9
155.03403	4.0
158.99599	0.8
164.04700	1.9
165.09164	7.2
165.25244	0.8
167.07074	1.4
169.08624	2.3
175.07535	4.7
175.14883	4.0
177.05498	1.0
193.08618	38.2
193.15714	0.8
201.05396	2.1
209.83902	0.8
211.09673	100.0
212.10052	1.1
225.10309	0.9
235.09654	1.6
239.11729	0.8
253.10822	1.0
268.88809	0.8
277.10748	1.3
301.10846	0.9
313.11777	1.8
338.72592	1.1
373.13794	6.7
373.18433	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
60.22383	0.7
61.02917	0.8
65.03952	1.3
67.05524	1.8
69.03417	1.1
69.07076	1.2
69.59692	3.5
70.06591	0.9
71.41351	0.7
79.24079	0.7
81.07056	1.5
83.04967	0.7
85.02918	3.5
85.90792	0.8
86.09701	3.2
91.05478	3.2
93.07050	2.4
95.04961	2.9
95.08614	3.5
98.20794	1.3
98.97617	1.0
99.04452	1.0
99.08112	13.8
102.04771	0.8
105.03395	3.9
105.07048	1.3
107.08597	1.8
109.06517	1.6
109.10168	3.6
115.05447	1.3
117.07035	0.7
119.04960	3.2
119.08598	1.1
121.06563	0.8
122.03698	1.1
123.97262	0.7
127.03963	1.1
133.06520	0.9
133.10126	1.6
135.04369	1.2
135.11688	3.0
137.05994	13.7
137.09619	3.2
145.02907	1.7
145.06496	2.5
147.04422	2.3
149.02371	7.4
149.05966	1.5
150.06810	2.1
151.03951	4.9
155.10652	2.0
158.03644	3.0
161.06058	1.3
162.06786	0.8
168.19952	0.8
173.06032	6.3
175.03987	1.4
175.07564	0.8
175.14845	2.5
177.05534	2.5
179.03416	100.0
179.06888	2.1
180.03726	1.4
180.07826	0.8
186.03204	1.3
193.04836	0.9
193.15938	2.6
194.07312	1.1
196.14465	0.8
201.05489	31.5
205.06523	3.0
206.07321	1.0
207.06453	0.9
211.17023	4.5
219.06520	2.4
221.89685	0.7
222.06717	1.3
231.06680	1.0
233.05992	2.9
234.06764	1.4
237.09167	1.9
250.06261	1.7
265.08652	4.3
277.08694	1.2
290.05487	1.1
293.08173	3.3
297.11560	1.0
307.09543	4.3
310.08197	1.2
313.11041	0.8
325.10806	8.5
337.10861	1.2
341.10544	0.9
355.11798	3.1
373.07251	1.6
373.13651	1.4
373.18311	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	373.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.7
55.05495	0.7
56.96563	0.7
58.68082	0.6
61.02911	1.0
65.03934	1.4
67.05517	1.5
69.03429	1.4
70.06577	0.7
70.07024	1.5
70.07417	1.1
79.05515	0.9
81.07036	1.4
83.04985	1.7
84.23589	0.8
85.02913	4.3
86.09700	3.1
91.05474	4.8
93.07043	1.7
95.04972	2.5
95.08591	1.6
96.50222	0.7
97.02901	0.7
99.04493	0.8
99.08102	11.6
105.03411	3.9
105.07007	0.9
107.08586	2.1
109.10155	3.1
111.08107	0.7
113.09645	0.8
115.05483	1.1
119.04939	2.6
119.08607	1.0
119.58182	0.6
122.03691	0.7
127.03926	0.9
128.81689	0.6
131.04944	0.9
133.10150	2.0
135.04370	0.8
135.11691	2.0
137.05983	14.3
137.09630	2.7
145.02899	1.5
145.06496	2.3
147.04387	2.1
149.02357	8.4
149.06050	0.9
150.06749	0.9
151.03905	4.9
155.10651	2.0
158.03661	2.2
160.05240	0.7
161.05945	1.3
162.06813	0.7
165.06927	1.0
173.05992	6.1
175.03992	2.2
175.14799	2.0
177.05487	1.8
179.03404	100.0
180.03793	1.9
180.07892	1.0
186.03181	1.7
189.05405	0.7
193.15839	4.9
194.07312	1.3
196.14397	0.8
201.05481	25.0
205.06490	2.0
207.06598	1.0
211.16974	3.3
217.06544	0.8
219.06523	2.8
222.06773	1.3
231.06598	0.8
233.06010	2.0
234.06766	1.1
237.09100	2.0
247.07721	1.0
250.06268	1.2
251.06950	1.4
253.08607	1.3
262.06186	1.0
265.08588	4.0
277.08655	1.2
279.10547	0.7
281.08017	1.0
292.07346	1.7
293.08160	2.4
297.11295	1.4
299.13086	1.0
305.08212	1.3
307.09705	3.9
322.08380	0.9
325.10757	9.6
331.90326	0.7
337.10645	0.7
343.11661	0.9
345.08295	0.7
355.11862	1.3
373.07153	1.6
373.13913	1.3
373.18350	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	373.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79210	3.3
56.96557	5.0
68.05074	3.6
69.03452	3.5
70.06583	13.8
71.01369	4.4
71.54003	4.9
73.02896	4.0
73.04736	3.5
80.05030	4.4
84.04521	5.8
84.08145	14.0
85.02917	11.9
86.06061	4.3
86.09701	9.4
89.03921	20.0
91.05814	4.7
95.01361	5.9
95.06087	9.6
97.02922	5.9
98.97585	11.4
101.02357	3.7
106.02903	13.7
107.04958	12.8
113.07120	7.9
117.03378	15.9
119.04967	4.6
124.03959	78.9
129.10233	4.4
135.04440	33.5
136.06177	15.0
137.05962	23.1
139.03925	4.9
141.01825	9.0
145.02826	16.9
147.04387	17.3
149.05963	3.6
152.07120	4.7
154.94225	5.0
163.03911	100.0
164.04141	5.6
164.07083	6.6
180.06572	10.9
190.08099	3.3
198.07616	54.6
211.14429	30.4
241.25342	3.5
256.19382	3.9
287.00647	6.0
287.87503	4.6
354.16992	3.9
355.11343	6.4
356.09601	4.4
373.11981	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	373.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	14.2
55.22654	4.6
64.00050	5.2
65.26453	4.8
67.05505	7.5
69.03416	7.2
70.06578	7.7
71.09345	6.0
71.09663	6.9
79.05481	6.7
81.07050	12.1
81.22664	4.7
83.08591	7.9
84.08159	9.1
85.02876	6.8
85.06535	9.8
86.09709	9.4
91.05470	9.9
93.07050	6.5
97.02862	5.7
98.97598	8.4
100.11235	18.7
107.04923	5.7
107.08568	8.3
107.91333	4.8
109.06540	6.1
109.10133	6.2
111.04432	12.7
114.09122	6.7
119.08441	5.9
125.00003	6.0
129.07123	4.7
133.10143	6.9
137.05972	17.4
137.09647	5.9
142.08029	4.7
144.08096	6.5
159.09286	4.8
176.14363	5.6
179.03397	6.6
182.15454	24.1
193.08505	9.0
201.05386	11.7
202.15900	16.0
210.14880	26.0
211.03688	100.0
211.09636	38.9
220.16971	36.9
225.10213	5.5
228.15956	6.3
230.15405	6.6
239.11906	7.3
253.09816	7.8
267.11456	11.1
295.10715	6.4
303.63528	5.1
313.11771	21.1
337.21185	18.2
355.22293	12.0
373.08960	72.1
373.13934	67.0
373.18298	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	372.159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04720	0.7
55.01866	3.3
56.90410	0.8
59.04978	0.9
60.04509	0.7
69.03428	10.3
70.06585	2.6
71.55170	1.1
74.00669	1.0
74.02441	1.0
80.05025	0.7
84.04501	1.1
84.08143	1.8
85.02917	1.0
86.09692	3.6
87.04456	2.8
91.05441	2.1
92.01682	1.0
93.05777	2.7
94.06545	1.3
95.04971	1.0
99.02668	1.1
105.05783	1.4
105.07071	1.8
106.06583	4.1
112.02200	1.4
119.08582	2.4
119.64055	0.8
122.06003	1.0
124.03996	1.4
125.04304	1.1
126.03753	7.6
126.05485	1.7
127.05062	5.4
128.05305	2.9
130.08607	2.4
132.08078	1.1
133.08839	1.1
133.10120	1.4
134.09634	1.6
135.71918	0.8
136.07491	1.0
138.03728	24.9
143.08624	0.8
144.06578	1.6
145.06113	1.5
147.08043	2.2
148.09625	1.4
151.03976	1.2
156.04779	10.0
156.28549	0.8
161.09648	3.4
166.06892	2.5
168.04814	2.3
179.09407	2.4
180.10233	5.0
189.09113	3.3
191.04868	8.6
194.06384	17.6
201.05389	1.3
212.07411	100.0
213.07729	1.8
300.05966	3.3
318.17227	1.1
336.17987	1.2
344.08539	0.9
354.06216	0.8
354.19171	1.1
355.17102	1.8
359.52832	0.9
372.08331	4.3
372.16577	6.7
373.18430	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	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.05509	5.2
56.66558	0.7
57.07068	2.9
64.24686	0.7
65.03941	0.7
67.05498	2.9
69.03431	5.9
69.07076	6.0
70.06565	1.0
71.04987	1.5
71.44441	1.4
73.02927	1.5
79.05489	3.3
81.03412	2.8
81.07062	15.5
81.47353	0.8
82.06611	0.9
83.04987	4.0
83.08627	13.0
84.08155	3.9
85.02914	3.3
85.06565	1.0
91.05423	1.4
93.07055	6.8
95.08601	3.1
97.02888	2.6
97.06533	3.0
99.04430	1.5
101.02387	0.9
105.07015	2.6
107.05006	0.8
107.08612	5.8
109.06526	8.3
109.10173	8.2
111.04463	1.0
111.08076	4.3
119.08592	1.9
121.10133	7.2
123.08102	1.4
123.11724	4.0
125.09577	0.9
125.13266	1.6
127.03905	3.0
130.08673	1.8
131.08603	1.1
133.10121	2.6
135.08086	2.0
135.11687	1.1
136.09898	1.0
137.10704	1.6
147.11708	1.0
149.10704	1.2
149.13246	8.7
151.11154	1.4
151.71410	0.7
153.09132	1.4
156.68939	0.9
159.09328	1.0
163.14821	2.4
166.06931	1.0
167.06973	1.6
167.14322	10.3
171.10239	1.1
173.13251	2.7
191.10542	0.9
191.14320	6.4
201.10220	2.1
203.05345	1.0
209.11453	1.9
209.15372	7.1
212.07387	3.3
219.11346	1.5
227.16495	1.1
231.11360	1.2
285.00919	1.0
299.05508	3.1
325.13971	1.1
371.16776	100.0
372.16965	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06813	0.7
55.01863	1.2
55.05501	2.0
65.03934	0.7
67.05496	4.4
69.03436	3.8
69.07065	1.8
69.45214	1.6
69.45633	3.7
71.04997	1.0
79.05488	1.4
81.03402	1.2
81.07037	2.3
83.04970	1.4
85.02901	8.3
85.06562	0.8
91.05477	3.9
93.07024	4.5
95.04973	0.7
95.08610	29.4
97.02888	3.0
97.06541	5.9
105.07019	4.4
107.08599	4.9
109.02873	0.8
109.06519	0.9
109.10154	2.7
117.07018	0.9
119.08580	2.7
121.10129	4.5
123.08053	0.8
123.11688	1.6
127.03926	1.4
131.08568	4.3
133.10136	51.9
135.08107	1.6
135.11697	2.0
143.08595	0.8
145.04942	1.4
145.10153	1.3
147.11668	2.8
149.09613	1.2
149.13248	1.9
151.11195	6.5
158.10953	2.3
162.95203	0.6
163.14836	3.0
167.07051	0.9
173.13290	15.3
191.14299	22.7
192.07825	0.9
196.48335	0.8
209.11371	1.1
209.15334	3.8
212.14661	0.7
294.34579	0.8
311.10327	0.9
371.12735	4.3
371.16776	100.0
372.00684	0.8
372.17188	3.5
380.34219	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65392	0.4
55.01887	2.1
55.05507	1.1
55.72447	0.4
57.82125	0.4
69.03419	0.8
70.06587	0.7
71.34255	0.6
71.34582	0.7
74.00663	1.0
80.04990	0.6
82.06556	0.6
83.08640	0.4
84.04482	0.4
84.08117	0.5
86.06049	1.9
87.04474	19.5
90.05546	0.8
92.01704	0.7
93.05800	3.1
94.06557	1.5
99.02676	1.4
100.07598	0.5
100.11253	1.9
106.06530	1.1
107.07331	0.9
110.06023	0.4
111.04412	0.9
120.08115	0.6
126.03748	14.2
126.05500	1.3
127.02122	1.0
127.05044	4.5
128.07109	1.1
132.08076	3.5
132.78470	0.5
133.08853	2.1
134.09671	0.8
137.05975	0.6
138.03725	1.5
140.05322	0.5
144.06583	0.6
145.06120	1.0
146.08658	0.4
149.02400	0.8
150.09125	2.0
160.07640	2.5
161.08369	3.5
162.00732	0.4
162.09070	0.5
166.06870	12.4
168.04742	1.0
176.05315	1.6
178.08644	0.7
178.12596	0.4
179.03409	13.5
179.09447	2.8
180.10202	6.1
182.11798	0.6
182.15385	2.5
184.07950	2.7
191.04829	6.0
191.45187	0.5
194.06372	15.8
201.05466	0.8
210.14911	4.1
212.07416	100.0
213.07768	1.5
227.17676	0.5
228.15913	0.6
255.11438	0.6
337.21371	2.1
347.04810	0.4
354.23920	0.7
355.22226	1.4
372.16867	4.9
373.18112	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.4
57.03421	4.5
61.02935	4.6
64.11813	2.1
67.05508	3.7
69.03426	13.5
69.43788	19.1
71.04984	3.0
78.96009	2.2
81.03424	8.4
81.07059	8.6
85.02904	34.9
87.73141	2.3
91.03989	2.5
91.05470	5.0
92.50362	2.1
93.07053	3.4
95.04992	5.2
95.08624	3.5
97.02935	13.1
98.20750	4.0
98.97634	2.7
99.04437	3.5
99.62029	2.1
105.07053	4.8
107.08598	7.2
109.02889	4.0
109.06532	48.6
109.10216	2.4
114.64413	2.5
119.04917	3.1
119.08556	3.3
120.08120	5.2
121.10164	8.4
123.04436	5.3
123.08072	5.6
127.03935	5.7
131.08585	3.5
137.05943	3.7
137.09624	7.0
145.04968	8.9
147.04407	5.1
149.09630	9.0
149.13239	6.9
151.03957	9.2
151.11186	23.4
153.09138	5.1
159.07942	2.3
159.67110	2.4
162.06819	3.0
163.03940	3.3
165.12752	38.8
165.14122	2.9
167.07076	5.4
173.15862	2.4
191.14337	9.9
193.15991	4.5
209.08015	4.9
209.15382	100.0
209.17372	5.4
210.15628	2.6
219.10089	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.6
55.01878	13.9
55.05523	32.3
56.96577	13.4
57.03435	12.3
57.07072	14.2
59.04974	8.5
61.02933	12.4
61.51538	6.2
65.03934	9.8
67.05511	19.3
69.03437	60.7
69.07066	37.7
69.51270	44.2
70.06599	89.5
71.01334	13.0
73.02923	10.8
73.04760	42.3
78.02490	6.2
78.10970	7.4
78.62106	7.6
79.05501	36.9
81.03407	20.7
81.07062	91.3
83.04973	35.3
83.08635	74.9
84.04504	9.8
84.08150	21.8
85.02921	81.1
85.06541	12.2
86.09742	6.3
88.02230	33.2
88.38988	7.6
90.05553	11.2
91.05860	56.9
93.07046	44.5
95.04971	21.7
95.08611	26.3
97.02905	37.4
97.06541	14.4
98.97611	11.3
99.04453	15.3
99.08158	8.0
101.06018	10.0
105.07034	18.9
107.04991	11.4
107.08602	54.6
109.02895	34.9
109.06544	45.5
109.10148	44.0
111.04456	8.1
111.08086	20.2
112.07632	61.2
116.98660	14.2
117.06937	6.7
119.08597	18.6
119.21708	6.5
121.02891	86.9
121.10154	56.1
123.04420	19.5
123.08067	14.3
123.11727	22.0
124.03929	10.8
125.13271	14.9
127.03924	50.0
129.05458	16.3
131.08554	13.6
133.06503	8.5
133.10170	22.8
135.04448	8.6
135.08049	15.3
136.06241	7.0
136.07567	9.1
137.05959	19.2
139.03923	9.5
139.11171	10.4
140.07056	45.0
141.06601	9.1
145.02783	7.6
145.05014	15.4
147.04428	17.1
147.06580	11.4
149.13290	50.5
151.11249	10.3
153.05547	7.4
153.09062	8.3
158.08276	7.0
159.07677	11.5
161.13269	6.8
163.03947	9.6
163.14886	11.3
167.14343	71.4
170.08150	8.2
170.09587	8.5
171.10213	7.2
173.13286	18.3
179.03412	29.4
187.05682	9.0
191.10504	8.2
191.14349	34.5
194.02063	16.2
195.06424	9.1
198.09189	12.4
203.05307	14.1
205.06619	21.9
209.04495	49.9
209.07816	10.1
209.15390	63.2
268.97769	12.3
285.00970	34.6
297.07745	10.2
310.04620	18.2
353.06552	38.4
355.07159	19.9
371.07242	16.3
371.12585	56.3
371.17151	100.0
371.21097	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	371.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00657	2.1
53.03950	3.3
55.01882	2.1
55.05518	8.7
55.70607	2.0
56.96575	2.2
57.03439	4.3
57.07072	7.7
61.02929	2.2
66.89106	2.0
67.05501	7.3
69.03432	13.7
69.07073	10.4
70.06602	7.1
71.04993	2.7
71.55504	2.3
71.55888	2.9
73.02910	2.5
73.04762	3.2
75.51107	2.1
79.05499	10.9
81.03420	5.6
81.07063	17.8
83.04987	11.9
83.08624	15.0
84.04538	2.7
84.08151	2.3
85.02922	21.8
86.09718	5.1
87.04470	2.3
91.05487	7.9
93.07048	12.5
95.04985	26.0
95.08633	4.7
97.02899	8.2
97.06554	4.6
98.97606	4.6
99.04482	10.2
99.08122	2.6
105.07062	10.4
107.04967	5.0
107.08586	14.7
109.02899	3.1
109.06527	14.5
109.10172	17.5
110.97615	3.1
111.04464	4.8
111.08115	4.7
116.98537	2.2
119.08608	6.9
121.06544	6.1
121.10150	21.6
123.08041	4.1
123.11712	5.2
124.07607	2.1
125.13268	2.2
127.03911	10.2
129.05544	2.8
131.08618	5.2
133.10155	5.5
135.08090	10.0
135.11723	4.0
137.02368	9.2
137.06030	6.8
138.67093	2.2
139.03958	2.4
145.05009	2.5
147.04454	2.8
147.06540	2.7
149.09641	75.5
149.13310	9.2
151.11201	3.3
153.09151	9.1
163.03943	7.1
163.14822	3.4
167.07082	8.1
167.14337	9.5
173.13301	4.2
179.03368	2.4
191.03523	2.9
191.14354	37.1
194.02193	2.2
209.04472	33.4
209.08098	3.4
209.15364	16.3
217.08615	2.9
219.02950	4.6
227.11479	2.8
237.09401	2.1
249.09319	2.1
268.97781	2.4
285.01141	4.9
292.07248	2.3
310.04919	6.4
353.06525	11.1
356.19962	1.9
371.07693	6.7
371.16779	100.0
372.17099	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
55.05505	0.8
56.96555	0.4
57.03423	0.4
67.01870	3.9
67.05485	1.4
68.99445	0.4
68.99794	7.0
69.03419	0.8
69.07054	0.5
79.01862	3.2
79.05500	0.7
79.96741	0.3
81.07042	0.7
81.97575	0.3
83.01349	34.2
83.04977	0.3
85.02888	0.4
95.01311	0.7
95.04972	0.5
95.08611	0.7
97.02874	1.5
105.07008	1.4
107.01324	2.1
109.10178	0.7
121.06517	4.0
125.02367	1.1
125.09618	0.6
133.06474	0.6
135.00780	1.6
135.04436	0.4
135.08064	16.5
136.08383	0.4
153.01848	6.4
154.02220	0.3
158.73792	0.3
161.05933	2.1
165.01817	0.5
169.01299	0.6
171.02888	0.7
179.03391	1.3
181.01328	90.0
182.01685	1.0
199.02391	100.0
200.02745	1.2
207.02887	3.7
236.06378	0.6
237.07692	4.5
273.07675	0.5
285.26260	0.3
300.09439	0.4
303.08582	0.4
315.08640	68.8
316.08972	1.3
371.14917	13.0
372.15213	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.168
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
52.16941	0.5
67.05511	1.1
69.03422	1.7
69.07061	1.0
69.72363	3.1
71.04977	0.7
79.05504	0.7
81.07065	1.2
81.21253	0.5
83.04965	0.5
85.02908	4.2
91.05471	1.7
93.07044	1.4
95.04990	0.7
95.08065	0.8
95.08624	11.8
97.02892	1.3
97.06528	2.0
99.04403	0.6
105.07055	2.7
106.90905	0.7
107.08600	2.4
109.10169	1.0
121.10139	2.3
131.08662	1.1
133.10150	20.0
135.08051	0.9
135.11722	0.6
145.04913	0.6
145.10117	1.3
149.09628	0.8
149.13216	1.0
151.11278	3.0
163.14853	1.3
167.07184	0.8
173.13249	6.9
191.14334	9.2
209.11461	0.7
209.15421	1.4
237.10240	0.9
265.09772	0.8
277.08847	0.7
293.05341	0.5
307.65985	0.5
351.33646	0.6
360.81516	0.5
371.16803	100.0
372.17145	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1677
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
51.72141	0.4
53.61872	0.4
69.03428	0.5
70.59322	1.0
73.04762	0.5
84.08154	0.6
88.62107	0.4
95.08632	0.6
107.08621	0.5
109.06500	0.7
136.50255	0.5
191.04814	0.4
191.14401	0.6
201.10191	0.6
208.88185	0.4
209.11494	2.4
212.07439	1.6
249.09303	0.4
251.12590	0.9
371.16788	100.0
372.17197	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	371.1678
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
55.05500	0.8
55.34925	0.3
57.03416	0.6
57.07061	0.4
63.19363	0.3
69.03442	0.8
69.07059	1.0
70.92961	0.8
79.05486	0.8
81.07070	2.5
83.04977	0.7
83.08621	1.7
85.02895	1.0
93.07030	1.0
97.02871	0.6
97.06510	0.4
105.06996	0.4
107.08569	0.9
109.06493	1.0
109.10155	1.0
111.08044	0.4
121.10156	0.7
123.11727	0.8
133.10152	0.4
135.38686	0.4
139.37961	0.4
142.35869	0.4
149.13268	1.2
151.11195	0.4
163.14761	0.4
167.07002	0.4
167.14368	1.4
188.72867	0.4
190.80836	0.4
191.14307	0.8
209.11481	2.9
209.15367	0.9
299.05704	0.9
325.06982	0.5
371.16772	100.0
372.17245	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	371.1857
Annotation	(-)-Furaquinocin C
Peak:m/z	Relative Intensity
51.02365	0.2
53.03942	0.7
55.05507	0.3
65.03944	0.3
67.05495	0.2
69.07050	0.4
70.62151	0.3
70.62508	0.4
78.04710	0.8
81.03425	0.2
83.01331	0.3
88.07638	0.4
88.42507	0.2
91.05486	2.0
95.04972	0.7
105.04528	0.5
106.04170	0.4
106.37793	0.2
119.04932	0.3
121.06519	100.0
122.06832	1.0
135.08096	0.2
153.05495	0.3
180.56252	0.2
181.01250	1.0
181.04968	0.2
195.06624	0.3
199.02405	1.5
202.55724	0.2
207.06557	2.7
218.20587	0.2
236.20166	0.2
274.83841	0.2
297.11032	0.3
315.08847	0.8
315.12277	10.4
316.12836	0.3
370.54059	0.3
371.18735	0.4
371.33640	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2069
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03942	3.9
55.01871	1.7
55.05493	2.7
57.03432	3.6
59.66317	1.3
61.02924	4.4
67.05516	2.8
67.69443	1.6
69.03432	12.4
71.04993	1.7
71.12569	2.5
79.05479	3.6
81.03423	6.0
81.07053	5.8
83.04993	3.5
83.08594	2.0
85.02911	35.2
91.03961	2.6
91.05459	3.8
93.07030	2.6
95.04980	4.3
95.08603	6.1
97.02898	12.0
97.06575	1.9
99.04498	2.4
105.07014	8.2
107.04957	4.3
107.08599	6.0
109.02882	3.6
109.06529	100.0
109.10130	3.2
111.08069	1.9
114.44909	1.7
119.08598	3.1
121.10161	6.5
123.04442	3.0
123.08093	6.1
123.11745	2.7
127.03912	5.7
131.08557	4.9
133.10135	12.2
135.08080	5.6
137.06013	2.8
137.09619	2.1
145.04980	7.8
145.10159	1.8
147.04536	1.8
147.11690	2.5
149.05920	2.2
149.09608	5.8
149.13266	4.4
151.03905	4.5
151.11186	16.0
153.09097	8.9
157.54030	1.7
158.10815	1.8
165.12764	28.0
167.07076	3.4
173.13229	8.6
191.14339	17.2
193.15862	2.9
209.15382	71.9
303.08890	1.8
307.05927	2.3
325.06955	9.7
339.08691	2.1
353.06537	7.0
371.07263	2.0
371.12253	1.6
371.16776	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	371.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.6
55.01867	5.9
55.05510	4.6
56.96553	9.6
57.03420	4.1
65.03927	4.9
67.05499	12.9
69.03430	7.1
69.07058	7.7
69.45389	10.9
69.45817	8.0
71.04996	4.8
79.05492	17.3
81.07056	19.1
83.05015	3.1
85.02939	11.5
85.06515	2.5
91.05429	15.6
93.07045	12.8
94.04209	4.8
95.04964	7.6
95.08630	11.3
97.02918	3.3
97.06537	3.8
97.10188	3.0
98.97596	7.6
99.08092	2.6
103.05480	3.8
105.07058	13.0
107.04963	26.0
107.08579	12.0
107.30276	2.4
109.06520	7.1
109.10162	9.9
111.04446	3.9
113.02381	2.3
114.22256	2.2
115.05424	5.7
116.06234	2.8
116.98668	4.8
117.06989	2.6
119.01926	2.8
119.04929	4.6
119.08585	7.5
121.02875	6.8
121.06496	5.1
121.10152	6.8
122.03735	11.8
123.04417	9.2
123.08102	3.7
123.11764	3.5
123.60015	2.7
124.05215	6.1
125.06026	4.2
128.06256	7.2
129.06996	16.1
131.04910	8.4
131.08582	13.6
132.05771	2.5
133.02805	4.0
133.06422	4.2
133.10132	4.6
135.07990	2.3
135.11665	3.5
137.05986	100.0
140.65854	2.2
141.06992	3.7
144.05649	4.7
145.06453	6.5
145.10123	5.2
147.04411	7.5
147.08058	3.8
147.11684	4.1
149.05969	4.5
151.03943	11.3
151.07573	6.1
153.07019	2.7
156.05727	25.2
157.06526	10.6
159.08055	21.8
160.05217	3.9
161.02870	2.7
161.06017	6.4
161.13264	2.5
163.07512	3.2
165.05511	4.5
165.07005	3.6
167.07053	69.2
169.06470	4.5
172.05275	7.0
173.05946	4.6
173.13298	4.1
174.06781	4.9
175.07570	19.1
177.05484	9.6
178.06297	2.5
178.07770	4.0
179.07051	3.8
181.04890	4.2
181.06418	3.3
184.05249	6.9
186.06708	2.5
187.07578	27.2
189.07124	3.5
189.09096	15.0
189.12521	2.4
190.07727	4.7
191.06996	3.7
191.08574	4.4
195.06519	3.3
199.07530	4.0
202.06204	8.3
202.07861	3.4
203.08557	11.6
205.06596	5.0
205.08560	5.4
206.07300	6.9
207.06415	2.9
207.08154	5.5
209.08119	4.7
210.06787	2.9
211.07570	6.7
215.06853	3.4
215.08647	6.8
217.06549	5.3
217.08615	73.7
218.07246	12.3
219.07971	7.4
219.10226	8.4
221.06047	3.1
221.09645	6.7
222.06750	3.2
223.07559	5.6
224.04631	3.9
224.08200	3.6
226.06374	3.9
229.08536	3.4
231.08003	9.6
232.08987	4.1
233.06044	4.9
233.09590	18.5
234.06749	13.4
235.07516	12.9
236.08488	3.1
238.09944	3.3
239.07010	18.2
241.08549	12.1
243.08014	3.3
246.06697	5.7
247.07489	8.5
247.09720	24.3
248.08376	7.3
249.09154	19.7
250.06410	3.7
250.09859	4.1
251.07092	7.2
251.10629	3.9
252.07802	10.6
257.08069	7.6
260.08392	6.0
261.09113	29.2
262.06323	5.2
262.09714	2.5
263.07129	11.7
263.10651	4.7
264.07571	2.5
265.08765	7.3
266.09351	6.0
269.08099	4.6
271.06012	5.5
274.06259	3.4
275.07172	3.2
275.10641	2.6
276.07858	3.5
277.08557	19.3
278.09402	12.3
279.06464	4.3
280.07285	6.5
281.08411	4.3
281.11707	10.4
283.29068	2.3
285.07581	44.4
286.08408	3.7
289.08582	9.1
290.09351	3.7
291.06662	3.1
291.10034	4.7
292.07211	5.1
292.10837	3.1
293.08109	6.8
293.11691	19.4
294.08850	4.2
295.09616	4.6
296.96017	2.4
298.08466	3.4
299.05551	4.6
299.83435	2.4
300.09921	50.7
301.10602	16.4
306.08847	5.7
307.09711	8.3
309.11102	21.7
310.11792	4.2
313.10770	13.5
313.13968	3.0
321.11200	35.5
322.11771	5.5
323.09045	6.1
325.10983	3.3
326.11447	16.4
338.11441	6.6
339.12305	6.7
341.13806	16.1
353.10147	4.3
353.13852	64.0
371.11148	10.6
371.15216	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	371.149
Annotation	5,7-Dihydroxy-4'-methoxy-8-C-(2-hydroxy-3-methyl-3-butenyl)flavanone
Peak:m/z	Relative Intensity
51.46453	0.7
52.79390	0.5
56.96569	0.8
57.20627	0.5
65.03966	0.6
67.01893	0.7
67.05517	0.7
68.99787	3.1
69.03429	0.6
69.07066	2.8
70.66858	1.7
74.39368	0.5
76.74674	0.6
79.05497	1.9
81.03416	0.9
81.07052	8.4
91.05485	2.0
93.07059	1.5
95.08624	0.8
103.05441	0.9
105.07024	1.6
107.04954	1.5
109.06521	9.3
109.10163	0.6
115.05475	1.1
117.07038	1.1
121.02914	0.9
121.06485	2.8
123.08080	2.1
129.49640	0.6
133.06526	1.5
135.04417	1.4
135.08072	0.7
137.02307	0.5
137.05991	1.0
139.00264	0.5
139.03960	0.6
145.06477	2.0
147.00664	0.6
149.02345	3.9
149.06003	1.3
151.07573	1.2
153.01833	10.3
159.04398	1.5
161.05960	1.7
163.07561	1.6
165.01843	10.2
167.03404	1.8
169.28719	0.6
172.33612	0.6
173.05986	0.9
176.04755	0.9
177.01846	11.6
177.05458	6.3
179.03447	2.8
183.02950	3.2
183.04326	0.6
189.05508	1.1
191.03429	1.5
191.07059	2.3
195.06538	1.9
201.05434	2.6
204.04221	1.1
219.06535	100.0
220.06786	1.7
227.06929	0.6
237.05495	1.0
237.07570	6.1
245.08080	0.6
245.11624	0.7
265.04926	0.8
282.05124	1.1
297.07578	6.9
299.09155	4.1
311.12775	1.5
315.08401	1.7
353.13852	9.2
371.14835	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	4.4
69.03419	5.2
69.07056	3.2
69.26607	20.8
79.05495	11.2
81.07069	11.8
83.04973	2.4
84.04485	2.4
85.82225	2.6
91.05474	10.8
93.07030	8.9
94.04171	4.6
95.04948	4.3
95.08600	4.1
103.05448	3.1
105.07033	3.4
107.04957	18.0
107.08606	4.7
109.06528	2.9
109.10145	4.6
115.05444	5.9
116.06213	4.1
117.06995	4.3
119.08571	4.4
121.02855	4.7
121.06474	2.6
122.03634	8.0
123.04395	2.8
124.05202	3.5
125.05985	2.5
128.06194	5.5
129.07021	12.7
131.04913	6.4
131.08551	11.6
133.07594	2.2
133.10121	2.7
137.05977	100.0
138.63992	2.4
139.17990	2.3
141.06989	3.8
144.05672	6.4
145.06476	7.0
147.04446	3.6
147.11646	2.5
151.03897	4.4
151.07515	8.4
151.11168	3.9
156.05681	25.0
157.06465	9.2
159.08052	16.8
160.05243	2.5
161.05965	2.4
163.03944	3.4
167.07048	39.8
169.07675	2.4
172.05222	4.3
173.05978	5.5
174.06793	6.2
175.07617	12.5
177.05476	6.6
178.07741	4.1
179.07132	2.9
187.07607	17.4
189.05418	2.7
189.07072	3.3
189.09056	8.2
190.07726	4.0
191.08464	4.0
193.10229	3.6
195.08167	4.1
197.06102	2.5
201.09123	2.5
202.06229	6.8
203.06860	3.0
203.08540	10.5
205.06557	4.9
205.08603	6.2
206.07283	7.5
207.08095	4.3
211.07651	5.8
215.08669	5.4
217.06633	2.5
217.08586	68.0
218.07254	11.1
219.08131	6.2
219.10243	7.6
221.09651	5.2
223.07526	3.9
224.04701	2.9
226.06282	4.9
229.08623	3.4
231.08157	10.9
232.08942	4.5
233.09563	14.0
234.06740	8.9
235.07455	9.7
237.09308	3.4
239.07048	17.2
241.08563	13.3
242.05733	3.9
247.07516	5.1
247.09618	20.9
248.08261	3.5
249.09128	24.7
250.06247	2.9
251.07091	4.7
252.07814	9.1
260.08334	5.1
261.09140	21.8
262.06219	4.3
262.09872	5.9
263.07031	10.8
263.10785	3.1
264.07840	3.6
265.08603	5.7
266.09528	4.9
269.08084	8.6
271.05997	5.7
275.07318	2.6
275.10431	3.3
276.07822	3.9
277.08716	21.7
278.09320	11.6
279.06616	6.3
279.10016	4.3
280.07297	3.9
281.11688	8.2
285.07553	43.3
289.08542	5.2
291.06512	3.5
291.10040	6.4
293.08545	4.0
293.11737	19.8
295.09708	5.3
300.09915	50.8
301.10568	13.6
306.08856	8.8
307.09598	8.9
309.11218	21.9
311.09207	4.2
313.10574	13.1
321.07684	3.1
321.11191	31.1
322.11819	4.7
323.09109	10.6
326.11511	20.5
338.11456	9.5
339.12158	3.3
341.13962	9.6
353.09775	3.9
353.13840	48.9
371.11493	3.3
371.15051	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	371.1494
Annotation	5,7-Dihydroxy-4'-methoxy-8-C-(2-hydroxy-3-methyl-3-butenyl)flavanone
Peak:m/z	Relative Intensity
55.01879	2.8
56.96554	0.7
57.03408	0.3
57.07047	0.4
59.04994	0.6
65.03950	0.3
67.01855	0.7
67.05526	1.7
67.15958	0.3
68.99784	2.1
69.03423	1.1
69.07074	0.4
70.30045	0.3
71.04971	0.5
79.01846	1.3
79.05495	1.1
79.06328	0.3
81.03426	1.8
81.07054	2.1
83.04995	0.4
85.02901	0.5
91.05473	0.7
92.99762	0.6
93.07040	0.9
95.08601	0.6
97.02893	1.6
97.10172	0.4
99.00833	1.2
99.08096	1.2
103.05468	0.7
105.07022	1.1
107.04996	0.5
107.08598	0.4
109.02886	0.6
109.06521	2.2
109.10155	0.7
111.00833	0.4
111.04491	0.6
112.99154	0.3
117.07002	0.4
121.06501	3.7
121.10136	0.4
123.00811	0.8
123.08113	0.4
127.07558	1.2
131.08670	0.3
133.06506	3.3
135.04427	0.9
135.08060	4.7
137.02327	3.0
137.05960	0.5
141.01833	5.5
143.08594	0.4
145.06488	0.7
147.00813	0.4
149.02335	1.0
151.07513	0.6
153.01865	3.6
153.03024	0.5
157.10201	0.3
158.23866	0.3
159.04448	0.8
161.04663	0.5
161.05991	7.6
163.03926	0.7
165.01849	100.0
166.02196	1.1
167.03421	11.3
171.04428	0.4
173.06038	0.4
177.01897	2.5
177.05513	1.8
177.32410	0.3
179.03433	1.3
183.02905	48.5
184.03346	0.4
185.04462	1.5
190.87482	0.5
191.03404	4.1
191.07089	0.6
193.05013	1.3
195.02927	0.3
195.06493	0.7
195.08092	1.0
201.05472	0.5
204.04164	0.4
207.06561	0.4
219.04401	0.7
219.06541	15.0
220.07005	0.3
231.10210	0.5
231.86983	0.4
237.07591	27.4
238.07883	0.5
266.92981	0.3
281.08218	0.6
288.99426	0.3
293.62122	0.3
299.09164	52.4
300.09485	1.2
315.08826	0.6
327.12680	0.3
353.13965	2.5
371.14948	25.0
372.15576	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.01839	0.7
55.05510	1.5
60.15653	0.7
66.70944	0.7
67.05478	0.7
68.27648	0.7
69.03408	1.2
69.89491	1.6
69.89902	2.3
73.04749	0.8
79.05470	2.5
81.07049	1.5
85.02895	1.6
90.39557	0.7
91.05464	2.6
91.41481	0.8
93.07013	1.2
95.04987	0.9
95.08597	0.8
95.78320	0.7
97.02871	1.6
98.97600	0.9
105.07005	3.1
107.04935	2.5
107.08621	0.9
109.02896	4.3
109.05923	0.8
109.06535	9.5
115.05414	1.1
119.01937	1.4
119.08549	1.0
120.03577	0.9
121.10107	1.0
122.03635	1.6
123.04476	0.8
123.08081	0.8
127.00053	0.8
128.06224	0.9
129.06984	2.1
131.04901	0.9
131.08551	2.9
133.10132	8.9
135.07974	1.4
137.05020	1.2
137.05991	14.5
143.01814	0.9
144.05623	1.7
145.10135	1.2
147.11685	0.9
149.05914	1.3
149.09569	1.0
151.03909	1.4
156.05685	2.9
157.06422	1.3
159.08038	2.9
160.05138	1.1
161.05989	2.1
163.03902	1.0
167.07048	6.9
169.06381	0.9
173.09634	0.8
173.13248	4.1
174.06738	0.9
175.07576	1.6
177.05470	1.1
183.08073	0.8
187.07495	2.8
189.07018	1.0
189.09103	0.9
191.07060	0.9
191.14362	4.0
195.06387	1.0
199.11153	1.3
202.06224	1.1
203.08572	1.4
207.08069	1.1
209.07863	1.1
209.15347	1.2
217.08588	10.3
218.07246	2.2
219.10271	1.1
221.05127	0.9
227.05270	0.8
233.09607	1.7
234.06654	1.6
235.07440	2.6
239.07037	1.7
241.08549	2.1
247.07402	1.4
247.09625	4.3
248.08424	0.9
249.09058	2.4
251.07025	1.1
252.07724	1.4
260.08273	1.6
261.09097	4.6
263.06992	1.8
263.10748	1.2
269.07962	0.9
277.08554	2.8
278.09329	1.5
279.06274	0.9
279.10327	0.8
281.11594	1.4
285.07608	5.7
285.12854	2.9
289.08560	2.0
293.08377	1.0
293.11646	3.6
300.09961	6.7
301.10556	2.6
303.12775	1.4
306.08725	1.3
307.09396	1.8
309.11087	2.1
311.09467	1.0
313.10535	1.8
320.10168	0.8
321.11264	4.8
323.08966	1.2
325.07019	1.5
326.11414	2.2
327.14157	27.0
341.13660	1.2
353.06412	0.8
353.13895	9.1
371.13113	100.0
372.13538	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	6.2
55.01881	4.1
55.05514	5.4
56.96569	3.1
57.03440	1.8
67.01871	1.5
67.05523	5.1
69.03440	28.0
69.07066	3.0
69.81914	6.2
70.06615	2.6
71.05003	2.1
73.04769	1.6
79.05499	5.1
81.03426	3.3
81.07050	6.2
82.16500	1.3
83.04998	3.2
83.08647	2.2
84.08154	3.1
84.88668	1.2
85.02933	6.5
86.09719	7.9
86.80717	1.3
90.70692	1.2
91.05435	11.3
93.07065	6.3
95.04978	6.0
95.08625	7.6
97.02897	28.9
97.06539	3.0
98.97610	3.3
99.16909	1.2
100.11269	4.6
103.05463	2.5
105.07063	10.9
107.04977	5.1
107.08588	10.4
109.02891	23.9
109.06516	6.1
109.10176	3.3
111.04429	2.5
115.05484	5.3
116.98637	1.4
117.07013	2.8
119.04995	1.9
119.08596	10.3
120.08113	3.6
121.02876	1.5
121.06534	5.5
121.10168	4.7
123.04427	8.0
123.08074	3.3
126.03846	1.4
126.12868	1.3
127.03939	6.9
128.06244	11.4
129.07001	11.0
130.07800	1.9
131.04947	1.7
131.08572	10.9
132.05757	1.6
133.06543	2.9
133.10139	11.7
135.08067	26.3
135.11684	2.8
137.05992	7.5
138.03749	1.8
141.07005	18.4
142.07780	16.7
143.08575	20.0
144.05646	1.8
144.13818	1.5
145.06496	5.8
145.10162	3.0
147.04420	3.9
147.08043	8.3
147.11621	1.9
149.06026	2.2
149.09636	18.5
149.13261	2.2
151.03926	5.0
151.07623	1.2
152.06204	1.6
153.06992	25.6
155.08566	15.1
156.09363	30.0
157.06494	3.8
157.10133	15.8
158.07274	5.7
158.10957	2.3
159.08051	14.6
159.11731	5.6
161.06003	2.3
161.09595	3.3
161.16495	1.5
163.07657	1.3
165.06995	13.9
166.07774	15.5
167.07060	10.8
167.08615	7.1
168.09341	18.8
168.10669	1.6
169.06497	10.2
170.07222	1.8
171.08070	35.8
171.09531	2.2
171.11679	14.8
172.08777	4.0
173.06277	1.5
173.09628	5.8
173.13280	8.9
175.07602	4.2
175.11279	2.8
177.05492	2.3
180.07820	1.5
181.10143	11.8
183.08130	5.1
183.11702	20.8
184.08846	22.5
185.09625	20.7
186.10414	8.7
187.07552	1.9
189.09134	3.6
191.04936	1.7
191.10716	2.1
191.14307	8.7
194.07370	2.6
195.07993	3.2
197.06006	8.7
197.09540	2.4
199.11194	86.1
200.11623	2.5
201.12801	5.7
203.10675	12.7
209.09644	22.7
209.15279	1.6
210.14891	3.7
211.07602	6.0
212.08514	29.8
215.10739	5.7
217.12299	6.0
219.10155	3.9
227.10678	100.0
245.11765	56.7
246.12222	1.5
249.18887	2.4
285.00885	2.4
297.07941	1.5
298.74078	2.7
325.06961	1.7
353.13858	1.5
355.06653	1.9
371.07394	2.9
371.11710	2.3
371.17047	8.9
387.33362	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	371.149
Annotation	dihydrocurcumin
Peak:m/z	Relative Intensity
54.06294	0.3
55.01874	1.2
55.05488	0.3
63.43641	0.4
67.05513	0.6
68.99789	0.5
70.15271	1.5
73.95736	0.3
75.54886	0.3
77.44736	0.4
81.03411	0.8
81.07063	0.4
83.01338	1.1
83.04986	5.7
96.02109	0.5
98.20821	0.4
107.04956	1.3
111.04441	3.7
121.06483	1.3
124.01562	1.2
136.18929	0.4
139.00168	0.4
139.03860	1.0
151.03879	0.6
152.01057	0.4
167.03394	4.8
177.32164	0.3
180.00539	25.5
185.04449	0.5
193.04996	0.7
195.02899	100.0
196.03288	1.8
198.01605	38.3
199.01859	0.6
209.04376	0.5
213.03946	50.0
214.04297	0.8
214.97227	0.3
221.04523	2.5
251.09123	4.7
258.05273	0.4
273.07553	1.1
280.15930	0.4
315.08627	53.1
316.09006	1.4
353.13782	0.7
371.14954	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.6
55.01870	0.5
57.03428	0.7
59.68456	0.3
67.01869	3.9
67.05496	0.5
68.99438	0.6
68.99792	8.7
69.03439	1.5
69.45158	0.3
70.66245	0.7
79.01859	3.5
79.05478	0.8
83.01347	37.5
84.01699	0.3
90.09107	0.3
95.01318	0.9
95.04920	0.3
97.02886	1.4
103.05455	0.4
104.79050	0.3
105.07012	1.2
107.01340	2.3
107.04089	0.3
112.39376	0.3
120.05751	0.5
121.06521	3.9
125.02338	1.3
133.06427	0.5
135.00751	1.7
135.04373	0.3
135.08064	17.9
149.02377	0.4
153.01840	6.2
161.05983	1.1
163.00354	0.3
167.99759	0.5
171.02917	0.7
179.03403	1.4
181.01328	100.0
182.01662	1.4
199.02391	91.9
200.02733	1.0
207.02901	4.7
231.74339	0.3
237.07623	5.7
303.08865	0.4
308.04892	0.3
315.08640	64.4
316.08942	1.4
331.16000	0.5
371.14911	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	371.149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.4
55.01883	0.5
57.03422	1.0
67.01867	3.7
68.99440	0.5
68.99791	7.6
69.00147	0.3
69.03416	0.5
79.01854	3.1
81.03442	0.4
83.01346	39.0
92.34542	0.4
95.01324	0.7
97.02885	1.5
103.05473	0.3
105.07053	2.0
107.01321	2.3
120.05689	0.5
121.06506	4.0
125.02346	1.4
133.06419	0.5
135.00760	1.7
135.04413	0.5
135.08060	17.8
153.01826	7.1
159.27307	0.4
161.05968	1.6
163.00366	0.4
171.02898	1.0
176.14583	0.3
179.03406	1.4
181.01324	100.0
182.01654	1.2
195.02960	0.4
199.02383	95.9
200.02747	0.7
207.02911	4.5
237.07629	5.2
255.99283	0.4
273.07504	0.5
315.08633	68.7
316.08966	1.4
371.14911	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	371.1493
Annotation	4beta-Hydroxyobovatachromene
Peak:m/z	Relative Intensity
53.03949	0.7
55.01861	1.3
59.98092	0.6
65.03941	2.3
67.05502	1.5
69.07071	21.2
69.95762	1.8
69.96163	1.8
79.05487	2.5
81.07064	1.3
81.97493	0.6
83.08612	0.8
85.02911	0.9
91.05463	3.0
93.03392	1.2
95.04979	3.3
97.02895	0.7
107.01270	1.1
107.04961	28.2
107.73722	0.8
108.02096	2.9
109.06546	1.3
119.04964	4.9
121.02877	7.3
123.04449	5.8
133.06451	0.7
135.04445	4.5
136.01552	2.9
137.02405	3.9
137.03372	1.1
137.05983	1.6
137.82126	0.7
138.03107	0.8
142.07906	0.7
142.31334	0.6
145.06487	1.0
147.04414	1.9
149.02330	1.7
150.03116	0.8
151.03915	2.5
153.05472	4.3
157.06479	1.7
161.05858	0.8
163.03931	3.2
164.01047	13.8
165.05492	3.7
165.07042	2.2
167.08611	1.0
169.06519	1.3
170.07245	3.0
177.07024	1.1
179.03403	100.0
180.03726	1.6
181.04924	4.9
181.06508	7.4
182.02113	22.2
182.07266	1.3
183.08055	1.8
185.05992	1.1
185.09619	1.4
189.05475	2.1
193.04990	6.1
195.08022	2.1
197.04465	49.9
197.05879	2.2
198.06717	7.5
209.04436	2.3
209.06105	4.6
210.06834	1.1
213.05571	1.6
213.09106	15.2
219.10132	0.8
221.04443	3.8
223.07545	3.4
225.05505	2.8
226.06223	4.5
235.09662	45.6
236.10043	1.1
237.05481	1.9
239.07043	2.7
240.07814	1.1
241.04930	8.7
241.08560	6.6
242.05617	1.3
245.04543	1.8
249.11208	0.9
254.05702	1.8
256.07324	24.1
257.08133	3.8
267.06488	1.0
268.07281	4.4
269.08090	56.3
270.05521	0.7
270.08401	2.1
277.10825	2.2
285.07544	1.8
287.09091	1.3
296.15213	0.8
297.07568	5.3
297.14890	3.0
315.04993	20.8
315.08636	8.0
316.05225	0.9
324.13528	1.2
325.14374	24.3
353.13821	9.3
371.11136	12.1
371.15021	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	371.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27541	0.4
52.91454	0.4
58.57187	0.4
61.80320	0.4
67.01870	2.3
68.99792	6.1
69.03442	0.5
69.93865	0.8
69.94278	1.3
79.01867	2.2
83.01352	28.0
95.01353	1.0
97.02882	0.8
105.07037	1.2
107.01324	1.5
117.36431	0.4
121.06516	2.8
125.02347	1.0
135.00784	1.5
135.08069	13.6
153.01845	5.8
161.06006	0.9
169.01401	0.7
171.02902	0.4
179.03409	1.3
181.01334	100.0
182.01714	1.1
193.58076	0.4
195.20700	0.4
199.02402	57.9
200.02834	0.8
207.02939	2.8
222.03969	0.5
237.07622	4.1
253.23730	0.4
315.08646	56.5
316.08966	1.8
354.21823	0.4
371.14926	7.7
371.19528	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	6.2
55.01881	4.1
55.05514	5.4
56.96569	3.1
57.03440	1.8
67.01871	1.5
67.05523	5.1
69.03440	28.0
69.07066	3.0
69.81914	6.2
70.06615	2.6
71.05003	2.1
73.04769	1.6
79.05499	5.1
81.03426	3.3
81.07050	6.2
82.16500	1.3
83.04998	3.2
83.08647	2.2
84.08154	3.1
84.88668	1.2
85.02933	6.5
86.09719	7.9
86.80717	1.3
90.70692	1.2
91.05435	11.3
93.07065	6.3
95.04978	6.0
95.08625	7.6
97.02897	28.9
97.06539	3.0
98.97610	3.3
99.16909	1.2
100.11269	4.6
103.05463	2.5
105.07063	10.9
107.04977	5.1
107.08588	10.4
109.02891	23.9
109.06516	6.1
109.10176	3.3
111.04429	2.5
115.05484	5.3
116.98637	1.4
117.07013	2.8
119.04995	1.9
119.08596	10.3
120.08113	3.6
121.02876	1.5
121.06534	5.5
121.10168	4.7
123.04427	8.0
123.08074	3.3
126.03846	1.4
126.12868	1.3
127.03939	6.9
128.06244	11.4
129.07001	11.0
130.07800	1.9
131.04947	1.7
131.08572	10.9
132.05757	1.6
133.06543	2.9
133.10139	11.7
135.08067	26.3
135.11684	2.8
137.05992	7.5
138.03749	1.8
141.07005	18.4
142.07780	16.7
143.08575	20.0
144.05646	1.8
144.13818	1.5
145.06496	5.8
145.10162	3.0
147.04420	3.9
147.08043	8.3
147.11621	1.9
149.06026	2.2
149.09636	18.5
149.13261	2.2
151.03926	5.0
151.07623	1.2
152.06204	1.6
153.06992	25.6
155.08566	15.1
156.09363	30.0
157.06494	3.8
157.10133	15.8
158.07274	5.7
158.10957	2.3
159.08051	14.6
159.11731	5.6
161.06003	2.3
161.09595	3.3
161.16495	1.5
163.07657	1.3
165.06995	13.9
166.07774	15.5
167.07060	10.8
167.08615	7.1
168.09341	18.8
168.10669	1.6
169.06497	10.2
170.07222	1.8
171.08070	35.8
171.09531	2.2
171.11679	14.8
172.08777	4.0
173.06277	1.5
173.09628	5.8
173.13280	8.9
175.07602	4.2
175.11279	2.8
177.05492	2.3
180.07820	1.5
181.10143	11.8
183.08130	5.1
183.11702	20.8
184.08846	22.5
185.09625	20.7
186.10414	8.7
187.07552	1.9
189.09134	3.6
191.04936	1.7
191.10716	2.1
191.14307	8.7
194.07370	2.6
195.07993	3.2
197.06006	8.7
197.09540	2.4
199.11194	86.1
200.11623	2.5
201.12801	5.7
203.10675	12.7
209.09644	22.7
209.15279	1.6
210.14891	3.7
211.07602	6.0
212.08514	29.8
215.10739	5.7
217.12299	6.0
219.10155	3.9
227.10678	100.0
245.11765	56.7
246.12222	1.5
249.18887	2.4
285.00885	2.4
297.07941	1.5
298.74078	2.7
325.06961	1.7
353.13858	1.5
355.06653	1.9
371.07394	2.9
371.11710	2.3
371.17047	8.9
387.33362	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	371.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86395	9.7
56.96582	14.6
68.19328	7.4
69.03441	11.4
69.43702	7.3
70.06600	16.7
70.13130	26.1
71.87349	7.7
73.04771	51.9
84.08156	13.6
85.02917	13.3
87.94376	8.2
91.05807	100.0
97.02907	29.4
98.21485	11.6
98.97596	26.7
110.97609	18.8
116.98617	12.2
118.97156	8.5
120.64318	7.5
123.04433	21.9
128.98642	14.8
136.06207	91.0
137.06001	14.6
139.03871	8.4
146.99704	10.2
147.04413	22.7
163.03915	16.5
179.03441	48.9
219.01753	20.3
236.05981	9.7
237.02890	35.0
267.00085	7.8
268.97891	18.8
285.00992	44.1
353.06107	9.7
355.07004	34.9
371.07431	65.4
371.13153	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	371.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71616	8.5
52.86387	7.8
69.86590	40.2
85.02905	11.6
97.02913	15.2
136.06177	22.8
154.94225	8.4
157.03514	9.3
173.84810	9.4
222.39651	9.6
240.64850	9.0
304.96915	9.3
338.92877	8.2
353.30975	8.3
371.07458	100.0
371.12091	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	371.1128
Annotation	Gancaonin P
Peak:m/z	Relative Intensity
52.69857	0.4
54.98792	0.4
55.01875	1.9
55.05488	0.8
56.96561	0.7
59.46912	0.4
65.03915	0.6
67.05473	1.5
69.07047	1.0
69.72594	0.4
71.55699	0.6
79.01837	0.5
79.05456	0.7
81.03407	0.5
81.07041	1.1
83.01333	0.4
83.04973	0.6
83.08624	0.4
85.33798	0.4
91.05451	0.4
93.03399	0.5
93.07047	0.6
95.04952	0.7
98.97550	0.5
101.05983	0.5
105.07013	0.7
107.01323	2.9
107.04955	1.1
109.02835	0.5
110.03658	0.4
115.05403	0.5
118.11900	0.4
119.04961	0.8
121.02875	1.4
121.06494	0.6
123.04402	1.6
124.40841	0.4
129.07016	0.6
131.04869	1.0
132.07182	0.4
133.06500	0.7
137.02353	13.7
137.03357	0.6
147.04395	1.3
149.02385	1.4
149.06017	0.6
151.03889	0.6
161.05977	1.4
163.03859	1.3
164.00993	0.5
165.01831	1.8
171.04398	1.2
173.05981	0.6
177.01999	0.5
179.03430	3.5
181.01305	0.4
182.02072	0.7
183.02927	1.0
185.05939	0.9
187.03891	0.8
189.05487	6.3
197.04491	1.9
199.02303	0.4
199.03932	1.3
203.07086	0.8
213.05487	1.0
213.09111	0.5
217.04953	2.1
219.10118	0.6
220.21039	0.4
227.03406	0.8
232.00870	0.4
235.09633	1.9
241.04935	0.8
245.04468	7.7
246.04810	0.5
259.05991	0.7
269.04495	1.1
269.08051	0.9
287.05618	0.7
315.05002	100.0
316.05389	2.3
322.31747	0.5
325.14191	0.7
353.13803	0.7
371.11282	61.1
372.11591	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	6.2
55.01881	4.1
55.05514	5.4
56.96569	3.1
57.03440	1.8
67.01871	1.5
67.05523	5.1
69.03440	28.0
69.07066	3.0
69.81914	6.2
70.06615	2.6
71.05003	2.1
73.04769	1.6
79.05499	5.1
81.03426	3.3
81.07050	6.2
82.16500	1.3
83.04998	3.2
83.08647	2.2
84.08154	3.1
84.88668	1.2
85.02933	6.5
86.09719	7.9
86.80717	1.3
90.70692	1.2
91.05435	11.3
93.07065	6.3
95.04978	6.0
95.08625	7.6
97.02897	28.9
97.06539	3.0
98.97610	3.3
99.16909	1.2
100.11269	4.6
103.05463	2.5
105.07063	10.9
107.04977	5.1
107.08588	10.4
109.02891	23.9
109.06516	6.1
109.10176	3.3
111.04429	2.5
115.05484	5.3
116.98637	1.4
117.07013	2.8
119.04995	1.9
119.08596	10.3
120.08113	3.6
121.02876	1.5
121.06534	5.5
121.10168	4.7
123.04427	8.0
123.08074	3.3
126.03846	1.4
126.12868	1.3
127.03939	6.9
128.06244	11.4
129.07001	11.0
130.07800	1.9
131.04947	1.7
131.08572	10.9
132.05757	1.6
133.06543	2.9
133.10139	11.7
135.08067	26.3
135.11684	2.8
137.05992	7.5
138.03749	1.8
141.07005	18.4
142.07780	16.7
143.08575	20.0
144.05646	1.8
144.13818	1.5
145.06496	5.8
145.10162	3.0
147.04420	3.9
147.08043	8.3
147.11621	1.9
149.06026	2.2
149.09636	18.5
149.13261	2.2
151.03926	5.0
151.07623	1.2
152.06204	1.6
153.06992	25.6
155.08566	15.1
156.09363	30.0
157.06494	3.8
157.10133	15.8
158.07274	5.7
158.10957	2.3
159.08051	14.6
159.11731	5.6
161.06003	2.3
161.09595	3.3
161.16495	1.5
163.07657	1.3
165.06995	13.9
166.07774	15.5
167.07060	10.8
167.08615	7.1
168.09341	18.8
168.10669	1.6
169.06497	10.2
170.07222	1.8
171.08070	35.8
171.09531	2.2
171.11679	14.8
172.08777	4.0
173.06277	1.5
173.09628	5.8
173.13280	8.9
175.07602	4.2
175.11279	2.8
177.05492	2.3
180.07820	1.5
181.10143	11.8
183.08130	5.1
183.11702	20.8
184.08846	22.5
185.09625	20.7
186.10414	8.7
187.07552	1.9
189.09134	3.6
191.04936	1.7
191.10716	2.1
191.14307	8.7
194.07370	2.6
195.07993	3.2
197.06006	8.7
197.09540	2.4
199.11194	86.1
200.11623	2.5
201.12801	5.7
203.10675	12.7
209.09644	22.7
209.15279	1.6
210.14891	3.7
211.07602	6.0
212.08514	29.8
215.10739	5.7
217.12299	6.0
219.10155	3.9
227.10678	100.0
245.11765	56.7
246.12222	1.5
249.18887	2.4
285.00885	2.4
297.07941	1.5
298.74078	2.7
325.06961	1.7
353.13858	1.5
355.06653	1.9
371.07394	2.9
371.11710	2.3
371.17047	8.9
387.33362	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	369.2427
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
53.03943	10.1
55.01867	11.2
55.05523	17.8
57.07075	11.3
57.49003	3.1
60.08155	13.6
67.05511	67.5
68.99799	7.7
69.03416	5.7
69.07063	10.1
70.06596	27.3
71.06930	8.6
71.08624	5.2
72.34052	3.3
77.64267	2.9
79.05500	58.3
81.03424	11.6
81.07064	71.2
83.01339	8.8
83.04993	7.5
83.08638	5.7
84.35522	3.3
91.05485	46.2
93.07055	62.4
95.04984	24.7
95.08620	61.1
97.02905	4.7
97.06550	10.2
103.05483	6.3
105.07043	29.8
107.04974	14.3
107.08607	33.6
109.02885	14.7
109.06552	5.4
109.10152	21.8
111.04422	7.7
116.06199	3.4
117.07064	15.8
119.08585	30.8
121.06549	15.6
121.10180	28.3
123.08091	21.9
126.05509	4.2
129.07025	9.7
130.08662	10.5
131.08542	22.9
133.10146	19.1
135.08047	7.6
135.11714	13.1
137.13339	3.9
139.07501	4.3
141.05455	9.0
143.08566	11.6
145.10138	17.1
147.08090	8.4
147.11717	7.2
149.05986	70.0
149.07132	5.4
149.09627	6.1
149.13255	5.0
151.03915	100.0
151.07565	6.9
153.05547	5.8
157.10182	7.3
159.08124	5.7
159.11766	8.2
161.09656	7.2
161.13261	18.1
163.14832	16.1
165.05447	6.6
167.07079	13.9
169.10161	6.9
171.11702	4.7
173.09663	7.2
175.07576	3.6
177.05467	9.9
181.01404	5.0
181.87570	3.6
183.11647	6.3
185.13289	11.7
187.11229	7.7
187.14847	24.7
191.07062	7.1
196.01625	3.5
198.18544	18.1
199.02345	3.8
199.14801	4.9
207.10178	4.3
215.21249	7.1
219.10159	25.3
219.13727	5.0
227.14491	4.6
229.15848	7.9
235.06044	13.2
241.15916	4.8
253.07076	4.4
253.15916	4.2
255.17490	6.2
283.16858	5.9
299.16440	6.4
301.18106	10.2
323.23807	4.5
351.23117	13.3
351.30847	4.4
368.42578	28.4
369.13217	3.5
369.24274	56.1
369.29782	57.7
369.42859	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
57.03457	0.3
57.07055	0.3
61.02922	0.7
67.05505	0.3
69.03430	1.4
70.06590	0.4
70.74656	0.7
70.75032	0.3
71.04996	0.3
73.02914	0.3
78.03462	1.7
80.05025	3.0
81.03412	0.6
83.05065	0.3
85.02909	5.5
86.09698	0.4
91.03966	0.3
91.05462	0.9
96.04494	1.7
97.02912	1.1
98.97579	0.4
99.04438	0.4
106.02925	5.2
119.08656	0.2
120.08114	0.3
124.03960	100.0
124.98129	0.2
125.04301	0.7
127.03939	1.4
138.05379	0.3
145.04965	1.5
166.06207	0.3
167.07025	0.4
187.56592	0.3
190.08565	1.2
208.09711	8.2
208.11641	0.5
214.43518	0.2
240.76860	0.3
289.12640	0.3
299.05624	0.3
370.15414	2.4
371.07968	0.4
371.12695	0.6
371.16812	1.8
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
56.96573	3.8
57.07080	100.0
58.69400	2.3
60.94739	2.3
67.05511	3.0
69.03413	4.5
69.84243	10.9
70.06589	6.3
71.01360	2.4
73.02921	4.7
79.05483	4.0
81.07079	4.9
82.03625	2.8
84.04521	4.3
84.08137	3.3
85.02919	12.3
85.06544	27.1
86.09736	6.5
91.05441	3.3
91.12543	2.3
93.07063	5.1
94.22087	3.1
95.01351	4.7
97.02896	5.2
98.97585	11.2
103.07623	5.1
105.07109	2.6
107.08571	4.5
110.07183	9.6
116.98637	5.2
126.05511	2.8
141.01823	16.2
147.04501	3.1
147.13535	2.4
149.09602	12.5
152.98593	2.6
158.99701	3.9
159.10179	91.1
163.03906	3.6
177.00801	3.6
177.11241	57.7
186.07317	5.0
191.14374	4.4
195.07817	4.1
209.04457	7.6
219.01671	4.4
237.02763	5.8
274.12411	3.4
328.07678	7.5
370.15433	32.1
371.16638	10.9
389.14865	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	370.332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.1
56.09364	1.5
57.03407	1.8
57.07091	15.2
58.06610	16.2
66.59453	1.7
67.05495	4.7
69.03423	4.5
69.07072	2.3
71.08650	10.5
79.05530	1.5
80.10693	1.6
80.37660	1.5
81.07072	7.5
83.08609	2.9
85.10181	4.9
86.06078	100.0
88.72800	1.4
91.05487	40.7
92.25695	1.3
95.08618	9.6
95.30995	1.7
95.52932	1.5
97.10177	4.3
103.49748	1.4
104.07117	66.9
108.08131	3.4
109.10168	4.7
111.11666	1.7
153.39539	1.4
161.26241	1.7
181.01506	1.5
219.16727	1.7
267.26837	5.7
352.32123	40.6
354.84436	1.6
370.31226	3.0
370.43433	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	369.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	8.0
56.96570	45.0
57.07082	1.2
63.61394	0.8
66.35567	0.9
67.05499	4.4
69.03426	1.9
69.07076	1.7
71.11053	0.9
71.25149	1.1
71.95268	6.2
72.96043	3.1
74.97636	1.8
79.05486	2.2
81.07078	5.3
81.07464	0.9
82.60519	0.9
83.04986	1.2
83.08637	4.8
84.96037	1.8
91.05473	2.9
93.07039	3.9
95.04947	1.4
95.08607	3.8
98.97550	1.8
100.11227	1.0
105.00142	1.9
105.07030	3.0
105.83481	1.1
107.08592	1.8
109.10156	2.8
110.97576	4.3
115.00674	1.4
119.01706	1.3
119.08606	1.6
121.10188	1.0
123.01286	1.2
127.00746	1.7
128.98592	5.2
131.08585	1.4
133.01746	1.9
133.10144	1.5
137.02750	2.0
137.06027	1.0
141.02248	1.4
143.00203	1.0
143.08670	1.1
145.10229	1.1
146.99693	1.8
147.04385	1.4
153.02232	1.5
155.03804	3.7
156.94914	1.0
157.01750	1.5
159.11658	1.2
161.06087	1.1
161.09590	1.4
161.13326	0.9
163.76797	1.1
168.06621	0.9
169.05336	0.9
171.03325	2.9
173.04791	1.6
181.05330	1.4
183.03302	1.3
183.06769	1.4
185.04829	4.2
187.06668	1.3
189.04306	1.2
189.07942	1.2
190.95486	1.4
191.05885	1.4
195.06859	2.3
197.04903	1.4
199.06432	9.0
201.07904	1.9
203.05948	4.1
205.07344	1.0
207.06725	2.9
211.06415	2.9
213.07973	15.4
213.12781	1.3
215.06027	1.2
217.07484	9.3
219.09024	1.0
223.10190	1.4
225.07942	6.7
227.05928	1.3
227.09547	1.1
229.07495	21.7
231.06982	2.0
231.09081	16.4
232.96497	1.8
237.07962	3.2
239.09534	5.2
241.11145	12.4
243.09077	5.8
247.08557	14.8
251.09532	9.3
252.09001	1.7
253.11081	2.4
255.08978	5.8
257.10632	4.2
259.12204	12.3
269.10632	49.4
270.10553	1.1
273.10114	3.4
287.11655	18.3
292.12222	3.7
315.16309	2.0
323.18967	1.5
326.02463	0.9
333.17371	27.6
351.18463	39.2
352.18649	1.0
369.19522	100.0
369.23889	5.2
370.19827	3.4
374.19931	3.3
382.66809	1.0
387.20569	75.4
389.95450	1.1
392.21005	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
55.05500	2.9
56.04912	1.1
56.96565	3.6
57.03426	2.0
61.02940	1.8
67.05495	5.0
69.03076	2.2
69.03433	24.2
69.49250	8.5
70.06597	3.1
71.04987	1.3
73.02926	1.7
79.05499	4.6
81.03418	2.5
81.07041	3.3
83.04980	4.3
84.08110	1.8
85.02911	5.4
87.04422	1.3
89.03920	4.8
91.05467	8.3
91.29096	1.4
93.07045	5.8
95.04962	2.4
95.08600	3.3
97.02889	3.7
97.06541	3.4
97.20774	1.2
98.97603	3.0
99.04475	1.6
100.24569	1.2
101.10007	1.2
105.07037	10.8
107.08616	7.7
109.02841	2.1
109.06510	5.6
109.10174	3.0
110.07220	1.9
117.03384	11.5
117.07034	4.1
119.04942	4.0
119.08591	15.1
121.06519	3.0
121.10149	3.7
123.08059	1.5
127.03913	1.9
128.06181	2.1
128.98604	1.3
129.07007	1.6
131.04898	1.6
131.08572	5.4
133.06517	2.7
133.10141	4.2
134.03661	1.4
135.04440	2.4
135.08029	2.9
135.11691	2.2
137.09627	9.3
142.07835	1.3
143.08556	6.7
145.02863	25.1
145.06480	1.4
145.10146	9.0
147.04427	4.5
147.08054	5.9
147.11734	6.5
149.05977	3.5
149.09647	2.4
156.09354	5.8
157.10104	1.8
159.08092	3.2
159.11795	2.3
161.07121	2.4
161.09616	3.3
161.13229	3.3
163.03894	6.4
163.11206	17.4
171.11687	3.2
173.09602	3.3
174.10388	1.3
175.11203	2.8
177.00725	1.2
177.05486	37.2
178.05040	3.5
179.05396	2.9
185.16808	1.2
187.11148	1.7
189.12761	33.7
191.14299	1.4
201.12669	1.7
206.04523	2.6
207.04807	3.1
207.07808	2.6
207.13818	100.0
208.14087	1.8
213.12811	3.2
219.13875	1.4
231.14059	1.5
237.02882	2.3
249.14825	1.7
351.18231	5.9
369.11520	2.8
369.15146	5.2
369.19104	17.9
370.19388	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1699
Annotation	Quercetol C
Peak:m/z	Relative Intensity
53.03948	2.5
53.09473	1.1
55.01867	1.4
55.05510	1.3
56.96552	1.3
57.47728	0.9
60.60671	1.2
67.05495	3.8
68.99795	2.4
69.03423	1.8
69.07066	5.4
70.70093	2.9
73.68736	1.1
74.51288	1.2
79.05499	14.0
81.03413	2.5
81.07060	2.3
83.08619	1.1
91.05484	28.6
93.07069	2.0
93.16286	1.1
95.01314	1.4
95.04982	2.8
95.08603	3.2
103.05474	5.5
105.03385	1.6
105.07046	4.4
107.04971	15.5
109.06503	1.5
109.10168	1.3
111.37693	1.0
118.04151	3.4
119.04948	26.4
119.08571	1.0
121.02869	3.3
121.06498	3.3
123.04433	1.9
123.08058	1.2
129.07053	1.6
133.06502	24.8
133.10165	1.2
135.04443	5.9
137.02330	20.4
145.06448	1.8
147.04417	19.3
149.05939	1.4
151.03812	1.6
153.05521	1.9
155.03441	1.3
157.06483	2.5
159.08044	3.8
161.05994	67.1
163.03923	18.4
165.05441	1.4
172.94368	1.5
173.06039	1.9
175.03929	25.8
177.05463	1.4
179.08565	1.7
183.08064	1.6
185.05984	7.5
185.09550	1.3
189.05502	3.3
190.95383	1.3
193.04971	100.0
196.62433	1.0
197.09622	2.1
197.89507	1.2
209.08034	2.3
210.06705	1.5
211.06007	40.0
221.04401	1.5
221.09677	1.2
225.09134	7.4
231.10156	27.4
232.96446	2.4
234.06766	1.6
235.07692	1.4
239.10583	1.4
241.12285	1.6
245.88651	1.2
247.08438	1.2
249.09071	3.8
249.11275	26.1
250.97513	1.2
253.08598	7.4
265.08429	1.4
267.10162	2.1
277.08621	13.2
283.09579	2.2
295.09668	91.4
296.10129	1.7
301.10812	1.3
313.07095	7.3
313.10669	72.0
314.10828	1.9
351.15894	13.2
369.13361	2.6
369.17072	25.8
369.26276	4.9
387.14218	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.6
60.58710	0.6
64.29420	0.6
65.03938	0.6
67.05518	0.6
69.03432	1.2
69.04902	0.6
69.99449	2.7
70.06599	1.3
79.05496	0.7
84.04494	3.0
85.02916	1.2
86.09711	0.7
88.04021	0.6
91.05499	4.2
92.74695	0.5
93.07059	7.0
94.02931	0.9
94.06542	0.8
94.72628	0.6
95.01337	5.9
95.04981	1.5
95.08626	1.0
96.04311	0.6
97.02914	0.8
98.97572	2.3
100.69839	0.6
104.26969	0.6
105.77597	0.6
107.08603	0.7
109.06511	0.9
110.06028	1.1
111.08099	4.9
111.78187	0.5
112.03973	27.5
112.04760	1.4
117.03391	1.3
117.06984	1.1
119.04910	0.7
119.08566	0.7
119.14538	0.6
121.06505	2.4
122.06021	1.2
123.04433	0.7
127.03864	0.7
134.09674	3.5
135.08040	2.4
136.07576	6.4
137.06009	2.0
139.03894	2.5
139.04936	0.6
140.07065	2.1
144.08087	1.2
145.02873	2.1
145.06589	0.7
149.05991	1.1
150.09132	1.3
152.10762	2.9
154.08658	2.1
160.07587	0.7
162.05533	3.1
162.09157	30.5
163.03909	1.4
163.07561	1.1
163.09474	0.6
164.07079	1.6
166.04987	1.6
172.07599	1.1
177.00729	0.8
177.05458	3.3
178.08650	1.2
180.08626	1.2
180.10208	25.0
181.06088	1.0
189.10233	0.6
190.08636	14.1
191.09431	1.5
207.11398	3.1
208.09708	100.0
209.10181	1.8
224.09583	0.8
273.12268	1.5
275.13922	1.8
280.47775	0.6
291.13467	1.3
295.12933	9.9
301.11871	12.8
302.10199	0.6
319.12900	52.3
320.13156	1.3
337.13882	2.5
351.15521	2.1
369.16510	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	369.1522
Annotation	Drosopterin
Peak:m/z	Relative Intensity
56.96558	0.4
69.03384	0.5
70.06635	0.3
71.34888	0.6
73.45457	0.3
85.02897	0.7
91.05466	0.7
95.04950	0.5
105.07066	0.4
107.08568	0.4
147.11725	0.5
151.11221	0.3
163.07484	0.4
171.11615	0.5
177.05452	0.5
189.12761	1.0
191.14314	0.8
195.62737	0.4
207.09970	1.7
207.13805	1.1
249.11057	0.4
369.15240	100.0
370.15558	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	369.1522
Annotation	Drosopterin
Peak:m/z	Relative Intensity
59.38308	0.4
59.55865	0.3
69.56618	2.6
76.62224	0.3
78.47905	0.4
85.95004	0.4
136.07710	0.5
164.07043	0.7
170.57962	0.4
189.08928	1.1
203.05263	1.5
207.06564	0.6
207.09935	1.8
369.15247	100.0
370.15656	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	369.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.0
55.05500	3.5
56.96556	3.7
65.03923	2.0
67.05500	4.5
69.03433	45.8
69.07072	2.8
69.88104	10.1
69.92570	2.3
71.04996	19.6
75.17426	1.6
76.55762	1.7
79.05489	9.2
81.03416	8.2
81.07084	10.0
85.02905	6.3
91.05484	22.1
93.07052	23.8
95.04974	5.4
95.08600	5.6
97.02904	16.6
97.06536	4.1
98.69820	2.0
98.97591	2.9
99.04462	44.5
103.05501	3.1
105.07040	99.8
107.04974	5.0
107.08611	5.4
109.02885	5.1
109.06509	3.8
109.10162	2.5
115.05476	2.2
117.07050	5.8
119.04945	9.0
119.08606	12.4
121.06509	7.9
121.10149	11.8
123.04440	4.3
123.08078	6.5
127.03930	19.7
128.06238	3.6
128.92654	1.8
129.71709	1.8
131.08566	8.8
132.02238	2.0
133.06512	15.8
133.10143	62.5
135.08089	3.0
135.11729	2.5
137.05977	4.7
141.07126	2.0
142.07858	1.8
143.08559	7.7
145.06525	4.8
145.10077	9.2
146.07274	5.1
147.04417	5.3
147.08061	3.4
149.09616	5.0
151.07607	3.7
151.11197	3.9
155.08583	3.3
156.13954	1.7
159.08090	8.2
161.09630	100.0
161.13284	2.7
163.03934	3.9
163.11201	25.6
167.08493	2.3
171.08031	3.8
171.11710	1.8
173.09676	3.4
175.03944	7.3
179.08476	1.8
179.08984	2.6
179.10681	37.8
183.08069	2.7
185.09697	2.8
189.09111	19.8
199.07672	2.3
201.09177	3.1
205.08502	1.9
207.06561	17.0
207.10103	8.6
211.11151	2.6
213.09332	2.1
219.10147	5.1
223.11052	2.1
231.10191	2.9
237.02754	1.9
241.12280	3.1
243.02011	2.4
246.13167	2.2
257.11835	4.4
259.13306	2.9
269.11832	4.2
275.12805	3.9
287.12784	5.7
305.13788	2.8
337.10843	7.5
339.12161	2.4
345.04605	8.4
369.05176	2.8
369.09280	2.5
369.13654	7.3
369.22650	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	369.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
61.17224	0.8
69.07038	0.8
69.70339	4.6
70.06577	2.0
84.08135	1.2
86.09695	1.3
87.30251	0.9
93.06946	1.0
95.04988	0.9
105.07032	1.8
107.08588	0.9
119.04972	2.1
121.02885	1.4
133.06490	1.0
165.01851	3.6
166.02222	2.6
167.02432	1.4
185.04269	11.9
189.09105	1.0
194.62704	1.0
207.06740	2.4
207.09943	100.0
208.10324	1.7
283.06094	6.3
284.06363	6.9
285.06573	19.2
369.09604	3.5
369.15228	38.9
369.19809	2.2
387.04007	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01862	2.2
55.05499	1.7
56.96563	5.5
57.03432	1.2
65.03932	3.9
67.05493	3.6
69.03431	9.3
69.07071	3.4
70.06578	1.2
71.04977	2.4
71.55338	1.3
73.02924	1.2
73.92912	1.0
79.05482	2.2
81.03409	4.4
81.07042	3.8
85.02911	6.5
87.04485	1.5
91.05487	11.0
93.07045	3.2
95.04970	3.7
95.08582	1.8
97.02882	3.7
98.97590	16.8
99.04455	3.4
103.05447	1.8
105.07043	13.1
107.04956	3.4
107.08560	3.0
109.02853	3.1
110.03651	3.2
111.04438	2.1
115.05449	2.2
116.98624	8.6
117.07000	2.0
119.04944	9.8
119.08579	3.1
121.02843	1.3
121.06526	1.2
121.10154	1.1
121.24892	1.2
121.57443	1.0
123.04406	3.7
123.11710	1.1
125.05968	3.3
127.03943	3.9
129.06975	1.1
131.04912	2.8
131.08580	1.4
133.02849	4.9
133.06494	3.0
133.10146	6.0
134.99643	2.4
135.04402	1.6
137.05972	6.5
139.03897	4.3
141.06964	1.5
143.08603	1.8
145.06480	2.8
147.04410	9.8
151.03888	1.6
152.06242	1.3
153.05499	6.0
158.99655	4.0
159.07962	2.8
161.05956	4.1
161.09634	9.0
163.03896	5.8
163.11185	3.1
165.06970	2.4
166.07652	1.4
166.50793	1.2
167.07033	3.8
167.08432	1.2
169.06529	1.8
171.08038	1.2
173.09639	1.4
175.03906	11.6
175.07576	3.8
177.00700	4.6
177.05431	5.1
177.06883	2.2
178.07765	4.1
179.07080	1.5
179.08545	2.7
179.10638	3.5
181.04956	1.3
181.06448	2.2
183.06531	1.8
184.05309	1.2
185.05995	1.5
189.05408	2.3
189.07005	3.0
189.09128	2.1
190.07787	3.6
191.08549	4.9
192.09351	1.4
193.06467	1.5
194.07295	5.8
195.08113	2.4
199.07553	10.8
202.07780	4.6
203.08540	3.7
205.06476	4.3
206.07278	2.3
207.06473	23.2
207.08116	4.3
207.10002	2.1
208.08804	2.3
209.09587	1.5
210.01895	1.5
210.06767	1.6
216.07805	3.2
218.07225	5.0
219.01674	1.2
219.08086	11.4
219.10071	2.6
220.08833	5.3
221.05978	4.6
221.09622	4.3
222.06757	4.6
223.07500	3.7
224.08417	1.5
230.07201	1.8
231.08051	5.8
232.08745	3.2
233.06007	3.3
234.06711	4.1
234.30759	1.2
235.07602	8.7
236.08310	5.6
237.09038	4.6
238.06235	2.3
239.06847	1.5
245.06357	1.5
246.06783	1.9
247.07570	8.3
248.08365	6.2
249.05511	2.7
249.09203	6.3
250.06178	5.3
250.09888	2.2
251.07036	5.1
251.10709	5.6
252.07932	1.9
253.08638	2.1
259.07626	2.6
261.05350	1.9
261.09106	3.3
262.06186	2.7
262.09857	1.8
263.07013	5.2
263.10767	2.4
264.07809	6.9
265.08627	14.2
266.05664	1.8
266.09381	3.7
267.06241	2.0
275.07007	1.9
276.07758	3.6
277.08597	4.9
278.05499	1.2
278.09329	1.6
279.06616	3.5
279.10110	6.6
279.13391	2.6
280.07288	1.8
281.08072	2.0
288.14001	3.5
291.06891	1.5
291.10120	14.3
292.07312	1.7
293.08090	8.4
294.08820	7.0
295.06241	1.5
295.09500	3.8
305.08194	2.4
307.09659	13.4
308.10379	3.5
309.07709	2.6
309.11148	14.7
311.09354	2.3
311.12454	6.7
319.09741	6.1
321.11179	1.3
322.07990	2.7
323.09061	2.2
324.09995	2.4
325.10657	1.6
326.11685	1.5
329.01123	1.5
337.10715	100.0
338.11288	7.7
339.08517	1.2
339.12311	13.4
341.13824	1.3
347.02112	3.1
351.12357	6.8
354.10709	1.4
369.13412	36.8
369.18414	2.0
369.22595	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1338
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
53.03943	1.2
55.01862	2.2
55.05499	1.7
56.96563	5.5
57.03432	1.2
65.03932	3.9
67.05493	3.6
69.03431	9.3
69.07071	3.4
70.06578	1.2
71.04977	2.4
71.55338	1.3
73.02924	1.2
73.92912	1.0
79.05482	2.2
81.03409	4.4
81.07042	3.8
85.02911	6.5
87.04485	1.5
91.05487	11.0
93.07045	3.2
95.04970	3.7
95.08582	1.8
97.02882	3.7
98.97590	16.8
99.04455	3.4
103.05447	1.8
105.07043	13.1
107.04956	3.4
107.08560	3.0
109.02853	3.1
110.03651	3.2
111.04438	2.1
115.05449	2.2
116.98624	8.6
117.07000	2.0
119.04944	9.8
119.08579	3.1
121.02843	1.3
121.06526	1.2
121.10154	1.1
121.24892	1.2
121.57443	1.0
123.04406	3.7
123.11710	1.1
125.05968	3.3
127.03943	3.9
129.06975	1.1
131.04912	2.8
131.08580	1.4
133.02849	4.9
133.06494	3.0
133.10146	6.0
134.99643	2.4
135.04402	1.6
137.05972	6.5
139.03897	4.3
141.06964	1.5
143.08603	1.8
145.06480	2.8
147.04410	9.8
151.03888	1.6
152.06242	1.3
153.05499	6.0
158.99655	4.0
159.07962	2.8
161.05956	4.1
161.09634	9.0
163.03896	5.8
163.11185	3.1
165.06970	2.4
166.07652	1.4
166.50793	1.2
167.07033	3.8
167.08432	1.2
169.06529	1.8
171.08038	1.2
173.09639	1.4
175.03906	11.6
175.07576	3.8
177.00700	4.6
177.05431	5.1
177.06883	2.2
178.07765	4.1
179.07080	1.5
179.08545	2.7
179.10638	3.5
181.04956	1.3
181.06448	2.2
183.06531	1.8
184.05309	1.2
185.05995	1.5
189.05408	2.3
189.07005	3.0
189.09128	2.1
190.07787	3.6
191.08549	4.9
192.09351	1.4
193.06467	1.5
194.07295	5.8
195.08113	2.4
199.07553	10.8
202.07780	4.6
203.08540	3.7
205.06476	4.3
206.07278	2.3
207.06473	23.2
207.08116	4.3
207.10002	2.1
208.08804	2.3
209.09587	1.5
210.01895	1.5
210.06767	1.6
216.07805	3.2
218.07225	5.0
219.01674	1.2
219.08086	11.4
219.10071	2.6
220.08833	5.3
221.05978	4.6
221.09622	4.3
222.06757	4.6
223.07500	3.7
224.08417	1.5
230.07201	1.8
231.08051	5.8
232.08745	3.2
233.06007	3.3
234.06711	4.1
234.30759	1.2
235.07602	8.7
236.08310	5.6
237.09038	4.6
238.06235	2.3
239.06847	1.5
245.06357	1.5
246.06783	1.9
247.07570	8.3
248.08365	6.2
249.05511	2.7
249.09203	6.3
250.06178	5.3
250.09888	2.2
251.07036	5.1
251.10709	5.6
252.07932	1.9
253.08638	2.1
259.07626	2.6
261.05350	1.9
261.09106	3.3
262.06186	2.7
262.09857	1.8
263.07013	5.2
263.10767	2.4
264.07809	6.9
265.08627	14.2
266.05664	1.8
266.09381	3.7
267.06241	2.0
275.07007	1.9
276.07758	3.6
277.08597	4.9
278.05499	1.2
278.09329	1.6
279.06616	3.5
279.10110	6.6
279.13391	2.6
280.07288	1.8
281.08072	2.0
288.14001	3.5
291.06891	1.5
291.10120	14.3
292.07312	1.7
293.08090	8.4
294.08820	7.0
295.06241	1.5
295.09500	3.8
305.08194	2.4
307.09659	13.4
308.10379	3.5
309.07709	2.6
309.11148	14.7
311.09354	2.3
311.12454	6.7
319.09741	6.1
321.11179	1.3
322.07990	2.7
323.09061	2.2
324.09995	2.4
325.10657	1.6
326.11685	1.5
329.01123	1.5
337.10715	100.0
338.11288	7.7
339.08517	1.2
339.12311	13.4
341.13824	1.3
347.02112	3.1
351.12357	6.8
354.10709	1.4
369.13412	36.8
369.18414	2.0
369.22595	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
56.80173	0.2
57.03432	0.5
64.87078	0.2
65.85625	0.2
67.05550	0.3
68.99805	1.1
69.03438	0.5
69.72433	0.2
71.01358	0.3
73.91586	0.2
79.05472	0.5
81.03389	0.3
81.07051	0.9
83.01346	0.5
91.05484	0.8
93.07066	1.3
95.04959	0.4
95.08594	0.5
98.20695	0.5
99.00816	0.5
103.05458	0.5
105.07043	2.1
107.04948	0.4
108.12820	0.2
108.31216	0.2
109.02849	0.8
109.06551	1.2
111.08101	0.6
115.05439	0.7
118.14819	0.2
119.01264	0.3
119.04971	1.4
121.06521	3.7
123.08068	1.1
133.06506	4.2
135.04381	0.3
137.02354	0.9
137.05977	1.2
139.03896	0.3
139.07529	0.8
143.04906	0.6
147.00789	0.6
147.04414	0.3
149.05952	0.9
151.00261	0.3
151.07552	2.1
153.01831	0.3
154.99767	1.0
161.05998	3.7
161.07248	0.3
165.01840	1.9
165.05461	0.4
169.01306	1.0
171.04414	0.6
179.03395	0.4
179.07108	1.1
181.01326	2.9
183.02859	1.5
183.06400	0.3
189.05476	3.6
192.00589	0.4
192.04201	1.0
193.01340	6.5
193.04976	2.1
195.02881	0.4
199.02396	1.3
206.02132	0.7
207.02788	0.6
207.06502	2.5
211.02342	0.7
217.05032	2.1
220.03703	0.8
220.60199	0.3
224.03130	0.4
235.06027	100.0
236.06366	1.6
247.70816	0.2
253.07114	3.9
261.07599	0.8
286.59714	0.2
327.12274	1.2
369.13367	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	369.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59344	1.4
52.90567	1.1
53.03941	1.9
55.01883	7.7
55.05503	4.3
57.07090	6.4
58.06600	2.7
60.07879	1.9
60.08170	28.4
67.01877	1.2
67.05496	1.4
68.99788	4.8
69.03416	4.4
69.07063	2.0
71.08633	2.7
71.21766	1.5
71.22122	2.3
76.86825	1.1
79.05494	4.1
81.03414	1.5
81.07050	4.4
83.01357	6.8
83.08608	1.4
85.10176	1.3
85.60345	1.2
91.05481	4.2
93.07066	5.5
95.04987	1.7
95.08601	1.5
97.06527	3.5
103.05467	2.5
105.07008	7.7
109.02840	1.6
109.06519	2.5
110.72037	1.1
111.08104	5.5
115.05473	2.7
117.07057	1.3
119.04935	2.9
120.05782	1.9
121.06526	14.8
123.00808	1.8
123.08083	1.8
133.06516	9.0
135.08083	16.0
137.02380	5.5
137.05966	2.1
139.03914	1.8
139.07594	5.7
147.04390	1.4
149.05991	6.1
151.00301	2.1
151.07564	2.3
161.06009	11.6
165.01860	5.0
165.05499	2.2
167.07051	5.0
169.01332	15.4
171.04489	1.1
179.07053	3.5
181.01355	5.0
183.02899	5.2
189.05492	14.8
192.04228	1.9
193.01378	7.0
193.04971	6.4
197.00847	3.9
198.18597	4.2
199.02415	5.1
206.02034	1.6
207.02753	1.2
207.06558	8.6
211.02390	6.8
215.21109	1.5
217.05026	9.4
224.03033	1.3
235.06039	97.2
253.07103	66.4
285.07632	4.8
313.07092	6.7
327.12390	1.5
341.13800	1.3
368.42554	100.0
369.13058	5.5
369.29855	13.4
369.42841	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	369.1338
Annotation	Cyclointegrin
Peak:m/z	Relative Intensity
53.03941	1.0
55.01863	1.3
55.05496	1.8
56.96568	0.6
57.03428	0.9
57.07060	1.2
67.01872	0.9
67.05487	1.6
68.99796	2.7
69.03414	1.4
69.07050	0.8
71.01331	0.6
71.04990	0.5
71.55055	0.7
79.05492	2.0
80.22734	0.5
81.03403	1.0
81.07056	2.9
83.01351	1.0
83.04989	6.8
91.05476	2.0
93.07052	2.9
95.04962	1.5
95.08606	1.4
103.05477	1.0
105.07049	4.4
107.05001	0.7
107.08588	0.6
109.02871	1.5
109.06516	2.3
109.10131	0.8
111.08054	0.9
115.05479	0.9
117.07016	0.6
119.04927	2.1
119.08587	0.9
121.06508	5.2
123.04475	0.9
123.08096	1.0
133.06488	5.3
133.10165	0.9
135.08060	1.0
137.02348	1.2
137.05963	1.5
139.03906	0.9
139.07545	0.6
143.04913	1.0
143.08521	0.8
145.06564	0.7
145.10118	0.6
147.04420	0.9
149.05974	1.7
151.03969	0.8
151.07562	2.3
153.01843	13.7
154.99736	1.1
155.08615	0.5
156.09299	0.7
156.52510	0.5
161.05984	6.6
163.03854	0.6
165.01848	8.8
165.05510	0.8
169.01370	0.8
171.02896	1.6
171.04353	0.7
172.94370	0.7
179.03387	1.7
179.07042	1.5
181.01367	3.1
183.02888	5.4
185.06056	0.7
189.05516	5.8
192.04280	1.3
193.01338	7.9
193.05035	2.8
195.02927	0.9
197.09694	0.8
199.02350	1.2
199.11151	5.3
201.05452	2.8
201.09106	0.6
207.06503	3.0
208.96246	0.6
211.02405	1.5
211.07661	0.6
214.06049	0.5
217.04996	3.9
217.12341	0.8
224.08487	0.5
227.07018	1.0
232.96489	0.9
235.06029	100.0
236.06355	1.3
239.10701	1.0
250.97475	0.6
251.07109	0.7
253.07062	6.8
263.07230	0.5
263.10547	0.7
265.12421	0.5
270.64920	0.5
277.21567	0.7
279.06500	4.0
281.08014	0.7
283.13300	1.3
287.10684	0.9
291.06625	0.6
291.10016	0.6
295.06119	0.5
297.07663	2.1
305.11798	0.9
313.07074	1.3
313.12027	4.3
315.09952	0.5
317.07983	0.8
327.12326	1.5
333.11234	9.0
351.12323	8.4
369.13391	10.8
369.17725	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1336
Annotation	Isoglycycoumarin
Peak:m/z	Relative Intensity
51.51118	0.3
53.03937	0.4
55.05494	0.4
55.12003	0.4
56.96563	0.9
57.34927	0.4
59.04958	0.4
65.03936	0.7
67.05489	0.6
69.03392	0.4
69.07045	0.8
70.70020	1.0
79.05468	1.2
81.07043	1.0
85.03909	0.4
95.04951	1.4
95.08608	0.8
103.31129	0.5
105.07008	1.2
107.04958	3.0
108.02070	0.7
111.04446	1.0
121.02879	10.9
123.04374	0.6
134.03583	0.5
135.04402	1.0
136.01488	0.5
143.08614	0.5
143.16084	0.4
145.02864	0.9
145.06566	0.5
149.02304	1.4
150.77843	0.4
157.06485	1.0
158.07266	1.5
163.03885	1.6
167.03384	1.2
168.05783	0.6
169.06451	1.7
171.08041	0.5
172.94328	0.7
179.03410	0.8
183.08084	0.4
185.05977	1.0
186.06711	1.7
190.95396	0.7
196.05257	0.7
197.05930	1.8
198.06935	0.5
211.07495	1.1
213.05472	1.6
214.06247	8.4
216.04161	1.5
225.05605	0.5
229.04996	0.8
232.96461	0.7
239.07124	0.7
241.04965	0.8
242.05736	1.3
250.97569	0.8
253.05000	0.9
257.08060	0.8
269.04514	0.7
270.05255	16.1
281.04370	2.2
283.05920	1.1
285.07571	5.3
286.04703	0.6
298.04700	2.6
301.07089	0.9
311.05249	1.0
313.07074	100.0
314.07492	1.9
338.97797	0.5
369.13354	94.2
370.13702	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.3
51.02390	0.5
53.03950	0.3
54.05274	0.2
55.01882	0.9
57.03430	1.0
57.03690	0.2
67.01871	7.7
67.05516	0.3
68.99793	12.0
69.03436	1.7
69.07069	1.7
69.53503	1.2
73.21540	0.2
79.01398	0.4
79.01857	6.7
79.05500	0.8
81.03411	0.7
81.07090	0.3
83.01347	52.6
89.30122	0.2
91.05505	0.8
91.63476	0.2
95.01330	1.3
95.04970	0.4
97.02898	2.5
103.05470	0.4
105.07034	2.7
107.01318	4.8
107.04968	0.8
109.02922	0.5
115.05415	0.3
119.04961	0.4
119.08571	0.4
121.06519	0.4
121.10224	0.2
123.00832	0.4
125.02377	2.1
129.06978	0.2
131.04958	0.3
131.08577	1.7
133.06496	14.4
135.00786	3.3
135.04463	0.5
137.02335	1.3
142.07796	0.4
145.06509	0.4
147.08044	2.3
151.07559	1.8
152.06247	0.5
153.01831	7.6
155.03404	1.2
157.06566	0.3
157.10110	0.5
157.50156	0.3
158.07333	0.6
159.08098	0.6
161.09663	1.3
163.00275	0.5
163.03912	1.5
165.07014	0.5
167.03401	0.3
167.08501	0.5
169.01428	0.3
169.04962	0.3
170.07245	0.4
171.02863	0.7
171.04291	0.5
171.08066	0.7
171.11736	0.5
173.09656	1.3
175.11159	1.9
179.03357	1.6
181.01328	100.0
182.01674	0.9
183.02898	14.1
185.09703	0.5
187.11235	0.6
189.12756	17.9
195.08040	3.5
197.06018	0.4
198.06781	0.5
198.18510	0.6
199.02386	90.6
200.02782	0.9
201.03961	0.8
207.02925	4.1
209.04462	11.5
209.06462	0.5
213.03876	0.5
213.09122	7.6
235.06065	1.5
237.43704	0.2
267.06564	0.3
271.06171	0.4
295.05960	0.3
313.07016	1.4
327.08798	0.2
327.12396	0.9
341.06769	0.2
351.12329	0.8
368.42435	0.5
369.13358	20.2
370.14169	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43861	0.1
53.00294	0.1
53.03939	0.3
55.01852	0.4
55.05494	0.2
57.03413	0.3
65.78792	0.1
67.05484	0.5
68.99789	1.5
69.03403	0.4
69.07055	0.2
71.01331	0.3
79.05489	0.9
81.03392	0.4
81.07053	1.3
83.01347	0.8
91.05492	1.3
91.22684	0.1
91.95944	0.1
93.06552	0.2
93.07048	1.8
95.01318	0.2
95.04954	0.4
95.08590	0.5
97.02893	0.2
97.06522	0.1
99.00805	0.6
103.05460	0.5
105.07034	2.8
107.04921	0.3
109.02843	0.6
109.06516	1.5
111.08058	0.6
115.05467	0.7
117.06997	0.4
119.04962	1.6
121.05664	0.2
121.06507	4.1
123.04392	0.3
123.08063	0.9
125.02393	0.2
133.06506	3.8
135.04391	0.4
135.08029	0.2
137.02354	1.0
137.05986	1.2
139.03886	0.2
139.07530	0.7
141.01767	0.1
143.04903	0.7
145.06479	0.3
147.00771	0.5
147.04376	0.5
149.02243	0.2
149.05988	1.0
151.00259	0.2
151.06447	0.2
151.07541	1.7
153.01828	0.2
154.99698	0.3
161.06003	4.9
163.03871	0.2
165.01830	1.9
165.05493	0.5
167.07042	0.3
169.01337	1.1
171.04396	0.4
173.05923	0.2
175.00325	0.1
178.02609	0.2
179.03371	0.8
179.06969	1.0
179.37738	0.1
181.01309	2.5
183.02914	1.8
183.06476	0.2
185.00795	0.2
189.05489	3.9
192.00510	0.3
192.04179	0.9
193.01338	6.7
193.04970	2.6
195.02838	0.4
199.02382	1.4
206.02081	0.5
207.02872	0.6
207.06522	2.5
211.02359	1.3
217.05002	2.5
218.05339	0.1
219.02837	0.2
220.03690	0.5
224.03181	0.5
233.04462	0.2
235.06017	100.0
236.06317	1.2
238.04735	0.2
253.07091	4.1
261.07657	0.8
267.14975	0.1
327.08615	0.2
327.12283	1.2
353.77585	0.1
368.42471	0.6
369.13327	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	369.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22462	0.6
51.02376	1.1
53.00312	0.7
53.03945	0.7
55.01872	1.5
57.03425	0.6
59.12671	0.5
65.03953	1.0
67.01866	5.8
67.05493	1.4
68.99795	10.1
69.03430	1.5
69.07072	15.8
71.34763	1.5
76.23798	0.5
79.01857	4.9
79.05504	0.9
81.03415	0.9
81.07087	1.4
83.01346	39.4
91.04916	0.7
91.05484	13.6
92.62366	0.6
93.07047	0.6
95.01335	1.8
95.04952	1.1
95.08600	0.8
97.02888	1.5
103.05466	0.9
103.60108	0.6
105.07024	2.3
107.01328	3.6
107.04959	4.8
119.04954	26.7
121.06516	3.0
125.02357	1.3
131.08569	0.9
133.06512	8.4
135.00758	1.2
135.08052	0.9
137.02313	0.8
141.01830	0.8
145.06458	1.1
146.47252	0.6
147.04417	100.0
148.04790	0.9
149.02376	0.9
151.07526	1.4
153.01826	5.8
155.03381	1.3
157.06552	0.8
161.06003	1.1
163.03865	1.0
165.01851	2.0
167.03394	6.3
169.01379	1.8
171.02902	0.9
172.23897	0.6
173.09560	1.3
175.11234	1.6
179.03407	2.4
181.01326	75.7
182.01602	0.8
183.02902	8.2
189.12762	9.8
195.08022	2.3
199.02390	81.7
203.10695	2.5
207.02905	9.6
207.06425	0.6
209.04477	7.5
213.09073	3.3
221.08075	0.9
223.09677	1.1
231.06520	1.3
235.05997	6.3
249.07626	5.1
259.06000	1.8
263.09207	0.8
267.08618	1.8
275.09167	1.5
295.06305	0.6
301.07056	15.8
313.07025	2.0
327.12265	0.8
351.12320	1.3
356.69147	0.7
369.13312	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	369.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.0
55.05486	0.5
56.96542	0.4
57.03411	0.5
67.01851	0.7
67.05477	0.9
68.99797	1.7
69.03403	1.0
69.07063	0.5
71.01321	0.3
71.55367	0.2
71.55747	0.3
79.05502	1.4
81.03388	0.9
81.07053	1.8
83.01322	0.8
91.05481	2.0
93.07043	2.4
95.04960	0.5
95.08578	1.0
97.02888	0.6
97.06484	0.4
99.00813	0.3
103.05437	0.7
105.06400	0.3
105.07038	3.7
107.04932	0.4
107.08605	0.4
109.02871	1.0
109.06521	2.1
109.10143	0.3
111.08051	0.5
115.05417	1.0
119.04943	1.6
119.08556	0.3
120.96329	0.2
121.02840	0.2
121.06512	4.2
121.30027	0.2
123.04414	0.3
123.08051	0.8
133.06502	4.8
135.04395	0.7
137.02328	1.4
137.05978	1.6
139.03893	0.4
139.07530	0.7
143.04909	1.3
145.06467	0.6
147.00784	0.7
147.04375	0.6
149.05994	1.4
151.00230	0.3
151.03908	0.5
151.07529	2.1
153.01807	1.7
154.99754	0.7
161.05994	7.5
163.07542	0.3
165.01848	2.8
165.05452	0.7
167.07066	0.3
169.01329	1.0
171.03044	0.3
171.04376	0.8
173.05968	0.3
178.02600	0.5
179.03398	0.8
179.07043	1.0
181.01340	2.4
183.02902	2.0
188.84166	0.2
189.05490	6.3
190.95247	0.3
191.48471	0.2
192.04147	1.2
193.01334	7.5
193.04959	3.0
195.02882	0.5
197.06079	0.3
199.02374	1.3
199.03911	0.3
206.02119	0.9
207.02924	0.9
207.06526	2.9
208.96239	0.2
211.02377	1.5
217.04994	4.6
220.03656	0.7
221.89464	0.3
224.03130	0.5
229.07433	0.3
232.96503	0.5
235.06015	100.0
236.06357	1.4
243.06541	0.4
250.97638	0.3
253.04449	0.4
253.07086	6.1
253.09608	0.5
261.07593	0.8
295.06088	0.3
313.07098	1.0
327.08673	0.4
327.12280	1.7
333.11163	0.3
347.15146	0.4
355.37091	0.3
369.13354	8.7
369.24152	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0591
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45042	5.0
69.90380	19.8
73.02945	6.4
76.80846	6.0
85.02911	11.4
97.02921	9.4
98.97591	12.4
112.89606	8.5
114.89326	8.1
116.98679	6.9
119.01907	10.3
121.01742	5.5
133.01796	5.0
133.03474	8.1
161.02908	7.1
163.03938	25.0
175.04494	27.2
219.05411	6.6
302.74948	5.8
309.08603	12.1
331.61707	5.4
362.17618	5.9
369.05865	35.4
369.11578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
56.96562	1.9
69.03445	1.4
71.54816	1.0
75.04166	1.0
75.68978	0.8
81.07041	1.1
84.08134	1.0
88.69740	1.0
89.03944	4.7
90.53466	0.9
91.05513	1.4
98.97593	1.1
107.05061	1.2
117.03389	10.6
119.04967	2.6
135.04401	1.2
145.02858	24.7
147.04387	5.4
149.06015	2.3
163.03957	3.0
177.05479	36.1
178.05859	1.0
185.04253	4.4
189.12732	2.7
197.65831	0.9
206.05499	4.5
207.06325	10.3
211.10916	0.9
234.98895	0.9
237.00722	1.1
243.42384	1.0
339.10464	1.0
369.11630	100.0
370.11908	2.5
381.04752	0.9
383.54736	1.0
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
52.36937	0.9
61.02931	1.2
69.03435	1.8
69.07061	2.5
70.35420	2.3
70.35778	2.0
71.05002	1.8
79.05481	2.2
81.03397	1.1
81.07066	1.5
83.04980	8.4
85.02902	6.0
86.09708	1.1
91.05476	2.2
97.02892	1.6
97.06535	48.1
99.08100	5.0
102.17661	1.0
117.05566	1.0
119.04930	2.6
120.08095	2.2
125.06001	8.4
127.03935	2.0
136.07584	0.9
143.07040	100.0
147.04428	4.4
177.05524	1.4
178.05025	1.8
180.08617	1.2
189.07591	68.7
206.10188	1.1
207.11380	1.8
214.04402	1.0
235.10727	1.5
252.07387	1.7
296.06805	1.2
369.11514	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	368.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
53.20177	1.0
55.01874	8.4
57.03437	4.7
61.02934	5.8
61.94753	1.0
68.99793	2.6
69.03435	37.6
69.03808	2.1
71.04994	4.8
73.02917	7.1
79.05506	1.1
81.03429	23.5
81.07051	1.2
81.73032	1.1
85.02913	100.0
86.56352	1.1
87.00841	43.9
91.05499	2.2
95.08611	2.2
97.02294	1.8
97.02902	28.6
97.06549	1.0
99.04468	11.6
105.01876	67.0
105.07048	2.8
107.08598	1.9
108.04527	2.8
109.02894	26.8
109.10145	1.5
115.03951	1.9
117.01907	1.7
119.04922	1.3
127.03925	71.8
129.01831	2.7
145.04971	34.3
147.02905	3.2
147.04396	1.2
159.02899	14.6
163.91705	1.1
165.64388	1.4
175.03917	1.9
189.03911	2.8
207.06577	3.1
207.87790	1.1
208.39615	1.1
213.03992	3.2
231.05017	21.1
246.92937	1.1
249.06116	4.1
337.10638	1.9
369.13327	1.5
379.89380	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.5
55.01861	5.0
55.05511	20.0
57.03442	4.9
57.07081	19.5
62.06153	3.8
67.05508	31.8
69.03432	6.2
69.06727	3.5
69.07073	38.0
69.39445	13.2
69.39872	12.8
71.04995	4.9
71.08631	27.7
79.05498	23.1
81.07061	52.6
83.05017	4.2
83.08602	13.0
85.02898	4.2
87.57049	3.2
91.05480	22.5
93.07063	30.7
95.04958	11.9
95.08622	36.5
97.06520	9.3
97.10146	4.1
98.20733	6.3
99.08100	31.7
105.07043	23.1
107.08595	22.4
109.02882	4.3
109.06535	37.1
109.10145	10.3
111.08068	4.9
115.19817	3.5
117.06962	3.9
119.08616	20.8
121.06509	10.9
121.10131	14.5
123.08044	5.5
123.11720	8.8
124.15178	4.1
131.08543	12.2
133.10126	13.5
135.08066	17.0
135.11708	4.3
137.05731	3.3
145.10109	12.7
147.11679	6.4
149.13237	4.8
150.02347	3.3
151.11205	3.8
157.10025	3.7
159.11728	6.1
161.13283	7.7
163.11221	7.7
165.12779	68.9
173.13309	4.3
177.01874	8.9
177.12825	7.5
179.14294	3.9
185.10057	3.9
195.02896	17.0
209.19029	15.2
210.45987	4.0
233.08144	7.3
256.14438	3.3
275.20004	7.6
289.25238	27.0
293.21097	5.6
299.23840	3.2
307.26331	4.7
311.09244	9.9
317.24789	100.0
335.25800	40.1
349.24115	3.5
349.27411	75.2
367.23688	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.0
53.03944	5.0
55.01881	6.6
55.05272	1.2
55.05515	21.7
56.96568	2.4
57.03192	1.2
57.03441	16.7
57.07058	2.3
59.05006	1.2
61.02908	1.5
65.03951	2.0
67.05508	46.4
68.99812	0.9
69.03417	2.2
69.07072	34.9
69.24557	7.4
71.04996	4.5
73.02905	1.2
79.05497	39.7
81.03419	4.1
81.07059	100.0
83.04985	5.9
83.08612	12.1
83.65067	1.0
85.02881	2.4
85.06532	4.3
90.01645	0.9
91.05485	27.7
93.06480	2.0
93.07047	30.8
95.04977	9.3
95.08612	29.4
97.02879	1.4
97.06535	11.6
97.10135	2.5
97.70506	0.9
98.97598	1.8
99.08086	2.9
105.07037	26.1
107.04959	6.2
107.08601	18.2
109.06529	14.7
109.10153	11.9
111.08089	4.5
117.07013	6.9
119.07814	1.2
119.08593	20.7
121.06525	4.8
121.10149	14.0
123.08077	7.8
123.11697	6.5
125.09612	2.1
126.76801	1.0
129.06978	2.4
131.08562	10.2
133.06480	1.2
133.10146	12.7
135.08054	3.2
135.11671	7.5
137.09601	3.6
141.06943	2.1
143.08521	2.7
145.10117	8.2
147.08057	2.3
147.11688	20.0
149.09598	7.0
149.13246	8.0
151.11189	2.9
157.10158	3.8
159.11719	9.1
161.09590	1.6
161.13258	3.2
163.11166	6.2
163.14751	1.6
165.12769	6.9
169.10089	1.3
171.11610	1.4
173.09691	1.1
173.13275	4.3
175.11230	3.9
175.14671	1.1
177.12701	2.9
179.14363	1.6
183.11693	2.1
187.11244	1.7
187.14886	1.2
189.12726	1.0
191.14301	1.5
193.12221	2.3
195.02910	2.1
205.12325	1.0
207.13683	1.6
209.04623	1.1
211.13275	1.3
221.15215	0.9
229.19516	2.8
239.17961	2.1
243.09108	1.4
247.20607	3.4
257.18945	3.6
267.09039	2.2
269.10645	1.2
275.20074	27.3
285.10007	4.6
287.11987	1.3
293.21115	4.0
349.23730	3.9
367.18027	1.6
367.24966	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	367.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01873	2.0
55.05515	6.3
57.03427	1.2
57.07072	1.9
65.03961	1.4
67.01834	0.9
67.05511	12.7
69.03427	2.5
69.07072	16.4
69.49268	7.4
71.04999	1.8
79.05495	10.3
80.39443	0.8
81.03428	2.2
81.07065	14.2
83.08617	2.3
91.05476	18.7
93.07052	22.4
95.04976	9.4
95.08627	14.9
97.06548	3.6
103.05455	1.2
105.04510	1.1
105.07043	25.7
107.04937	1.4
107.08608	15.1
109.02895	1.9
109.06512	3.5
109.10159	11.4
115.05460	5.4
116.06219	1.8
117.07034	10.8
119.08585	27.5
120.09304	1.1
121.02883	2.5
121.06525	4.6
121.10166	13.0
123.08082	2.4
123.11724	3.5
128.06239	2.7
129.07036	5.6
130.07784	1.8
131.08580	17.1
133.10143	17.9
135.08083	7.6
135.10822	1.2
135.11685	5.6
137.09631	1.3
141.07019	3.1
142.07803	6.9
143.08574	10.8
144.09334	3.0
145.06497	18.1
145.10141	18.0
146.07280	2.5
146.10818	0.9
147.08084	2.8
147.11728	6.8
149.02376	1.5
149.09688	3.0
149.13315	1.5
153.06854	1.0
155.08546	3.9
156.09360	3.6
157.06528	2.4
157.10120	13.0
158.10924	2.4
159.08057	1.9
159.11687	8.3
161.09624	10.4
161.13246	2.6
163.07556	1.4
163.11174	1.9
165.07002	1.7
167.03409	21.4
167.04752	1.7
167.08597	2.6
168.09384	1.9
169.08809	1.4
169.10019	4.9
170.10905	1.7
171.11697	7.0
172.12479	1.7
173.09697	1.6
173.13313	8.3
175.11191	1.1
175.14799	5.4
177.01875	3.3
179.03409	9.8
179.08548	3.4
181.10147	3.9
182.10922	2.0
183.11719	9.0
185.05966	7.0
185.09683	2.1
185.13242	4.1
187.11108	1.3
187.14842	4.3
189.12767	1.6
193.06493	1.2
193.10242	1.3
194.07346	1.6
194.10930	2.8
195.02893	5.5
195.07994	1.9
195.11720	3.2
196.12508	1.4
197.04475	1.9
197.13235	6.4
199.14876	5.2
201.12764	35.0
201.16420	1.4
202.13084	1.2
205.04742	1.1
205.06548	4.3
207.08081	1.7
207.11647	1.3
209.04405	1.6
209.06215	1.3
209.13206	5.4
211.14853	3.0
213.05559	1.5
213.12831	3.1
213.16402	1.4
215.07048	92.4
216.07422	2.2
217.15813	1.4
219.08002	1.0
221.06006	2.5
222.06758	2.7
223.07491	2.9
223.14664	1.2
225.16438	1.4
227.10696	1.4
227.14297	5.1
233.06023	3.2
233.08057	1.6
235.07594	3.4
237.05611	1.3
237.09174	3.2
239.18030	3.0
241.12251	2.8
250.06297	4.1
251.07002	8.0
255.10210	2.2
257.19052	2.1
263.07169	1.6
265.08600	11.5
265.19565	1.6
266.05746	1.6
267.10147	3.1
269.08105	29.1
269.18918	2.0
278.05795	2.9
279.06546	6.1
281.08102	21.5
283.09506	5.0
289.12387	3.1
293.08105	36.0
293.11407	2.0
294.08862	3.2
299.09146	4.5
305.08203	1.2
307.13336	4.5
311.09186	20.3
321.14929	1.6
325.07324	1.0
331.13379	2.0
334.11963	1.4
335.12775	9.5
339.15854	2.2
349.14365	100.0
349.25266	3.3
350.14633	5.5
363.03394	1.1
364.68127	1.0
367.15515	23.5
367.26004	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	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.4
55.01665	2.6
55.01874	29.5
55.05513	95.1
56.96558	11.3
57.03442	33.1
57.07076	2.9
59.05000	3.4
61.02927	4.2
65.03927	7.0
67.05507	99.6
69.03413	10.5
69.06722	4.7
69.07072	53.8
71.04993	16.1
71.55373	4.1
71.95273	2.7
73.02950	3.4
77.37693	3.0
79.05498	94.0
81.03418	16.9
81.07062	91.8
83.04987	56.1
83.08620	54.4
85.02921	21.6
85.06532	8.3
87.87671	2.7
89.98878	2.5
90.45924	2.3
91.03944	3.0
91.05481	59.6
93.07045	83.4
95.04975	90.8
95.08604	57.7
97.02878	7.3
97.06540	20.6
97.10178	24.8
98.97572	7.0
99.04459	22.7
99.08133	4.5
105.07038	54.6
107.04969	20.8
107.08603	71.3
109.06513	17.6
109.10160	34.9
111.04453	61.5
111.08073	16.9
115.05483	2.7
116.98602	4.4
117.07025	25.4
119.08586	44.3
121.06490	16.0
121.10156	47.8
123.08055	12.0
123.11702	7.3
125.06020	7.9
125.09641	25.6
129.07004	12.0
131.08569	27.0
133.06465	4.3
133.10143	26.0
135.08054	12.1
135.11714	24.9
137.09676	7.5
139.11179	8.9
141.07054	5.5
143.08566	3.5
145.06538	5.6
145.10135	44.7
147.08058	7.2
147.11682	19.3
149.09631	54.3
149.13271	6.4
151.11201	5.9
153.09068	4.1
153.12740	7.5
155.08548	8.4
157.10149	4.5
159.11748	20.1
161.09615	4.1
161.13216	4.9
163.11189	51.8
165.12756	9.5
166.12582	2.9
167.08511	2.9
167.10619	4.6
169.10107	6.9
171.08035	3.1
171.11639	3.3
173.09552	4.3
173.11824	3.1
173.13284	5.9
175.11153	6.0
175.14844	3.3
177.00638	4.2
177.12766	9.2
181.12222	7.6
183.11726	3.5
183.13936	2.9
185.13306	2.9
187.11221	6.0
189.11227	14.8
191.10719	5.3
193.12265	7.1
195.13828	3.0
197.13274	5.1
205.12265	10.1
211.13251	7.1
223.13287	73.5
223.15442	3.9
229.19592	6.5
233.19144	4.3
239.17961	8.6
243.09050	3.7
257.18991	14.9
259.08417	3.4
267.09161	4.9
269.10501	4.9
272.15347	2.9
273.10251	2.7
275.20074	100.0
285.10147	14.1
287.11584	3.3
293.21121	30.5
349.23871	4.4
367.11670	6.5
367.24661	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	367.1908
Annotation	Hexyl oroxylopterocarpan
Peak:m/z	Relative Intensity
53.98797	0.5
55.01878	5.0
55.05495	1.7
56.77702	0.5
56.96549	0.7
57.03437	0.8
63.51073	0.5
64.18021	0.6
67.05492	2.3
68.99789	2.5
69.07084	3.1
71.55833	0.9
79.05486	1.9
81.07073	4.2
83.08593	0.9
85.02921	0.6
91.05503	2.8
93.07035	1.6
95.04954	0.7
95.08594	2.2
97.10142	0.8
98.56441	0.5
105.07034	3.1
107.04955	0.9
107.08584	1.7
109.10189	0.9
111.00860	0.8
117.07039	0.6
119.04922	2.3
119.08559	0.9
119.15291	0.5
121.10162	1.1
123.00757	0.9
125.09647	0.8
128.06267	0.7
129.07031	1.4
131.08597	0.7
133.06512	9.8
133.10091	0.7
140.98462	0.6
141.01857	4.6
143.08537	0.9
145.06476	1.8
147.04419	40.1
157.06482	2.6
159.08037	0.8
161.05954	0.6
161.09679	0.6
167.03398	2.1
169.06573	0.9
171.04512	0.5
171.08086	1.0
173.05977	2.0
175.07628	0.8
177.12714	0.6
181.06535	0.9
185.05972	2.9
187.07520	0.8
189.05420	0.7
191.03329	1.3
192.41185	0.7
197.05937	1.1
199.03967	0.8
201.05467	13.8
211.07561	1.6
213.05504	1.0
215.07140	0.9
219.06555	1.1
225.09012	0.7
227.07115	0.7
227.10626	1.4
231.06557	2.1
235.07091	0.6
241.12263	1.3
243.06552	100.0
244.06871	1.1
255.06595	0.7
257.08093	1.8
267.13852	1.1
269.07974	0.9
275.20288	1.1
299.12769	1.0
311.09241	1.0
311.12796	2.0
337.80585	0.6
367.15350	0.5
367.18991	6.1
367.24756	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	367.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01866	1.1
55.05494	2.9
56.96567	32.5
57.03436	2.0
59.49552	0.8
61.02916	1.1
67.05510	5.7
69.03419	1.0
69.07064	4.5
70.13811	0.7
71.05001	1.2
71.54896	0.9
71.95241	3.3
72.55216	0.7
72.96040	1.8
79.05491	7.0
81.03396	2.8
81.07062	15.0
83.04954	1.3
83.08614	0.9
84.96001	1.7
85.02894	2.5
91.03970	0.8
91.05474	3.7
93.07035	4.3
95.04952	1.5
95.08626	4.0
97.02858	1.5
97.06521	1.4
97.10146	2.2
97.96794	1.6
98.97561	2.7
101.39903	0.9
105.00164	0.9
105.07012	4.8
106.84181	1.0
107.08595	3.8
109.06538	1.6
109.10149	3.0
110.97543	5.5
112.99163	0.9
115.00645	1.3
116.98608	1.3
117.07024	1.0
119.08575	3.4
121.06484	1.7
121.10124	2.9
123.01173	1.1
123.08069	1.8
128.98618	6.6
129.07008	0.9
129.49644	0.8
131.00235	1.0
131.08591	1.9
133.10126	1.0
133.87498	0.9
135.08046	1.4
135.11678	1.7
137.02727	1.2
137.09613	1.2
141.02217	2.0
143.00130	1.2
145.06464	2.1
145.10103	1.4
146.99644	3.0
147.11688	4.2
149.09607	1.1
155.03825	1.0
157.10091	0.9
160.00345	1.0
161.01212	1.3
161.13202	1.3
163.11186	0.9
165.12653	1.6
167.03799	0.8
169.01741	1.2
169.05392	0.8
171.03258	3.0
181.05168	0.9
183.03313	0.9
185.04872	2.9
189.04326	1.8
193.12228	3.3
195.06870	1.6
197.04863	0.9
199.06410	3.8
203.05861	3.4
205.07484	2.2
207.06844	1.2
211.06416	2.3
211.13109	1.0
213.07947	10.9
217.07503	5.6
220.33005	0.9
221.08400	1.0
223.02785	1.1
223.06465	1.1
225.07967	5.4
229.07480	8.7
231.09027	12.4
237.04352	1.7
237.08043	2.4
239.09573	4.7
241.07530	1.6
241.11111	5.7
243.09102	5.6
247.08563	5.5
249.08099	1.0
251.09492	6.8
253.11037	1.7
255.09045	9.4
257.10648	4.3
259.08575	1.2
259.12134	5.8
261.10117	2.0
267.09009	2.6
268.09491	1.2
269.10596	35.2
273.10132	4.6
275.20050	1.7
279.09052	3.0
280.09741	2.6
281.10577	1.0
285.10098	3.1
286.10635	1.4
287.11661	11.6
288.12061	1.0
292.12149	2.2
297.09940	2.9
313.14798	1.2
313.21658	1.8
315.11063	2.6
331.15817	10.8
331.22714	2.6
349.16830	15.6
349.23447	0.9
350.17255	1.1
367.17844	100.0
367.21344	5.3
368.18280	2.6
372.18295	1.2
385.19070	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	367.1544
Annotation	Xanthoangelol C
Peak:m/z	Relative Intensity
50.37247	0.3
51.36167	0.3
53.00306	0.5
55.01877	0.7
55.05510	0.9
56.91748	0.4
56.96561	0.6
56.98664	0.4
57.03434	0.3
65.03939	4.1
67.05511	1.2
69.07063	0.8
69.47156	0.4
69.47560	2.3
70.06587	0.5
79.05500	1.1
81.07048	1.8
83.08624	0.3
83.76484	0.4
85.06557	1.2
91.05498	1.7
93.03410	2.9
93.07037	1.5
95.01342	0.5
95.08602	1.0
105.07030	0.9
107.04969	0.8
107.08655	0.5
111.04449	0.5
111.08056	0.4
119.04943	1.6
119.08564	0.7
121.02861	3.3
121.06515	1.7
121.10204	0.4
125.45547	0.3
131.01276	5.0
131.08524	0.4
143.08536	0.4
147.04419	6.5
149.02348	90.1
150.02661	0.8
151.03918	1.5
163.03899	0.9
167.03410	100.0
168.03769	0.8
195.02794	0.4
205.05035	0.4
209.04451	0.7
219.10199	0.6
229.08652	4.0
233.04323	0.6
247.09689	5.9
269.08099	49.7
270.08386	0.8
275.20035	0.5
283.89569	0.4
293.08136	0.4
309.07333	0.9
311.09195	0.7
339.12143	2.9
349.14368	5.4
365.91129	0.3
367.11423	8.0
367.15439	16.0
367.24316	1.0
368.15796	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1543
Annotation	6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-4,4'-dimethoxychalcone
Peak:m/z	Relative Intensity
51.08848	0.4
53.03938	1.4
55.01868	1.1
55.05498	1.0
57.07053	1.6
65.03946	0.5
67.01852	1.2
67.05491	1.8
68.99791	0.6
69.03419	1.0
69.07072	11.2
73.34068	0.4
79.05485	1.6
81.03419	9.4
81.07071	1.8
83.08572	0.4
85.02920	0.5
91.05489	4.4
93.03373	0.5
93.07043	1.5
95.04959	1.2
95.08597	1.5
96.80201	0.3
97.06506	0.4
103.05445	0.6
105.07024	3.8
107.08595	1.5
109.02886	21.4
109.06516	0.5
109.10136	1.2
111.04417	1.0
115.05463	4.4
117.07029	4.9
119.04903	0.4
119.08581	1.9
120.05791	0.4
121.02860	1.8
121.06508	4.8
121.10136	1.2
123.11695	0.4
125.02354	1.0
128.06216	0.7
129.07031	2.1
130.07672	0.3
131.08569	1.8
133.06558	0.4
133.10159	1.1
135.08057	17.0
135.11729	0.6
137.05936	0.8
141.07016	0.5
142.07785	0.9
143.04980	0.4
143.08574	1.6
145.06493	15.3
145.10123	1.5
147.08028	0.6
147.11757	0.5
149.02345	3.3
152.06212	0.6
153.05490	0.8
153.07005	1.0
155.08572	0.9
157.06516	2.7
157.10144	1.2
159.08054	1.4
159.11732	0.9
161.09596	0.9
163.03850	0.5
163.07521	0.9
165.01852	0.8
165.07031	0.9
167.03409	22.7
167.08600	1.1
169.10143	0.6
171.11691	1.1
173.13257	0.5
177.01833	32.6
177.07036	1.2
178.07774	0.6
179.03400	8.7
179.08549	1.3
181.06427	0.9
181.10097	0.6
183.08148	0.6
183.11719	1.6
185.04483	0.6
185.05986	7.3
185.09467	0.6
189.12810	0.8
191.03427	1.3
193.04984	0.8
193.06599	0.4
194.07240	1.6
195.02901	61.0
195.07878	2.3
196.03262	0.4
197.04425	2.4
197.06017	0.8
197.13377	0.5
199.11174	0.7
201.12755	33.6
203.03389	2.8
205.06488	3.2
206.07237	0.8
207.08032	0.6
209.05994	1.1
209.09645	1.2
209.13370	0.4
210.06754	0.9
211.07553	0.8
213.05522	1.7
215.07033	100.0
216.07378	1.1
217.04997	0.9
218.04562	0.5
219.08110	0.6
220.05232	0.6
221.05913	2.2
222.06786	2.6
223.07573	1.8
224.08293	0.9
225.05338	0.8
227.07030	0.8
227.10579	0.6
229.48384	0.5
233.05974	4.2
233.08075	37.2
234.06778	1.1
235.07591	2.2
236.08366	0.5
237.05463	1.3
237.09096	3.1
238.06311	1.6
239.07080	0.5
240.07709	0.6
241.08601	1.0
241.12280	3.2
247.07484	0.9
248.08391	0.6
249.05573	0.9
249.09151	0.7
250.06273	3.8
251.06995	5.9
251.09215	8.0
252.07863	0.8
253.08783	0.4
255.10196	1.4
259.09778	0.9
261.05548	1.1
261.08957	0.4
261.12445	0.5
263.07001	1.2
265.05499	0.7
265.08603	12.0
265.11499	0.7
266.05814	1.8
266.09421	0.7
267.06525	1.2
267.10168	2.5
268.07086	0.5
269.08109	29.5
269.89261	0.5
276.07965	0.6
277.05051	0.5
277.08398	0.4
278.05826	3.7
278.12836	0.5
279.06537	6.5
280.07416	0.6
281.08099	19.7
281.11276	1.0
282.08368	0.5
283.09653	5.5
288.11111	0.4
289.12314	3.5
291.06705	0.5
291.10162	1.1
293.08087	35.8
294.08826	1.7
295.09448	0.5
297.07788	0.5
299.09149	5.2
305.08121	0.6
305.11578	0.4
306.12418	0.6
307.09976	0.6
307.13205	4.1
311.09146	42.3
319.09732	0.6
321.14908	0.7
325.14429	0.7
331.13306	1.9
334.11960	1.6
335.12753	8.2
339.16016	2.2
349.14359	98.5
350.14627	2.2
367.15414	26.2
368.15573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1543
Annotation	Glyflavanone A
Peak:m/z	Relative Intensity
52.14448	0.2
53.03947	1.9
53.28085	0.3
55.01883	0.7
55.05516	0.4
57.07081	1.4
62.75476	0.2
65.03938	0.4
67.01873	0.3
67.05502	0.6
69.07076	0.9
79.05497	1.3
81.01028	0.2
81.03423	13.7
81.07058	1.2
91.05492	1.2
93.07050	0.4
95.04968	0.4
95.08595	0.5
99.00819	1.3
99.06706	0.3
103.05472	0.5
105.07060	2.4
107.01295	0.3
107.04964	0.8
107.08570	0.4
109.02888	30.4
109.06597	0.3
119.08599	0.4
120.05748	0.3
121.02905	1.3
121.06511	7.0
121.10188	0.3
127.03931	0.3
131.01335	0.5
135.00806	0.4
135.08063	26.1
145.10138	0.3
145.74376	0.2
147.08046	0.5
147.11589	0.3
149.02335	3.2
165.01859	0.7
167.03383	1.7
175.03937	0.6
177.01842	38.7
183.02895	0.3
191.03404	1.3
195.02905	100.0
196.03250	0.7
203.03436	3.6
209.04518	0.5
218.04538	0.8
233.08104	51.4
234.08411	0.9
251.09155	15.8
259.09613	1.6
269.08136	1.0
275.20123	0.4
311.09155	37.0
312.09485	0.8
318.18646	0.2
325.14194	0.5
349.14224	0.6
367.15433	13.9
368.15958	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1543
Annotation	Glyflavanone A
Peak:m/z	Relative Intensity
51.02378	0.4
53.03947	2.2
55.01876	0.8
55.05508	0.3
56.52586	0.2
57.07073	1.9
62.38262	0.2
63.02377	0.2
64.25665	0.2
65.03933	0.5
67.01840	0.4
67.05490	0.4
69.07050	0.7
70.66959	0.4
70.67319	0.2
72.72417	0.2
79.01818	0.3
79.05492	1.0
79.36995	0.2
81.03420	16.5
81.07062	0.5
91.05485	0.8
95.04957	0.4
95.08624	0.3
99.00819	1.1
103.05476	0.4
105.07034	2.7
107.01363	0.2
107.04971	0.3
107.08605	0.3
109.02882	33.7
120.05725	0.8
121.02870	1.7
121.06505	8.1
123.00806	0.2
127.04002	0.2
131.01299	0.8
135.00777	0.5
135.08055	32.4
136.08347	0.2
139.03886	0.3
147.08020	0.5
149.02339	2.5
165.01846	0.9
167.03378	1.1
175.03922	0.4
177.01833	56.0
178.02170	0.7
183.02832	0.2
191.03378	1.4
195.02895	100.0
195.94357	0.2
196.03200	0.9
203.03403	3.5
209.04483	0.6
215.06999	0.2
218.04550	0.9
233.08089	49.3
234.08420	0.7
236.18213	0.2
250.81592	0.2
251.09152	11.9
252.09470	0.2
259.09634	1.4
269.08167	0.3
311.09140	47.6
312.09439	1.0
318.79779	0.2
325.14343	0.3
367.15414	16.0
368.15640	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
55.05505	1.3
56.96565	4.5
57.03428	0.8
67.05518	2.1
68.05017	1.2
69.03427	3.7
69.07067	2.6
70.06596	2.4
71.55158	0.8
72.08154	1.5
74.97563	0.8
77.23878	0.8
79.05507	1.2
81.03429	1.2
83.05040	0.8
84.04493	1.0
84.08144	2.3
85.02889	4.2
86.09735	1.5
91.05480	2.4
93.07043	2.3
94.06581	10.7
95.04981	2.9
95.08593	1.0
97.02898	3.0
98.97590	6.3
107.08618	0.9
110.06073	1.0
110.97572	1.2
111.00824	1.0
112.07630	2.6
116.98654	2.3
120.08137	1.0
121.08431	1.1
122.06042	25.6
123.04430	2.9
127.03908	1.2
128.03458	3.6
128.98613	1.8
134.06090	0.9
136.03972	3.3
136.07623	2.5
137.02354	1.0
137.05965	1.5
139.03941	5.5
140.07080	27.7
141.05519	1.1
143.00281	1.3
147.04439	2.1
147.08105	0.9
147.09201	1.1
152.10771	1.1
154.05006	25.0
154.06198	1.7
154.08649	3.6
158.99702	1.7
162.09151	7.8
163.03999	1.1
168.06549	0.9
177.00690	1.0
178.05020	31.2
180.10239	7.0
182.04497	1.5
185.04266	2.3
204.06425	1.2
207.11353	1.5
208.09709	27.8
210.07608	6.8
219.01834	1.5
231.09111	1.1
237.02745	1.6
239.02278	1.6
263.47482	1.0
276.08661	1.8
281.14923	1.6
293.11526	1.0
307.12933	1.1
317.11240	2.2
335.12396	37.1
365.05463	1.6
367.13690	100.0
368.13959	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	366.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.2
53.87936	1.5
55.01870	5.4
55.05515	4.7
57.03429	5.3
58.49059	1.8
61.02934	7.1
63.76407	1.7
68.99792	2.0
69.03432	37.5
71.04991	6.3
71.24832	2.0
71.25176	2.0
73.02925	9.3
81.03422	26.9
81.07064	2.4
83.08636	1.8
85.02914	100.0
87.00842	44.0
91.03944	1.8
91.05472	2.0
96.16000	1.5
97.02901	32.9
99.04456	11.1
103.03957	1.7
105.01877	65.5
108.04474	2.6
109.02895	25.0
110.07176	1.7
111.08099	2.5
115.03923	2.1
117.01817	2.9
121.24897	1.6
126.05574	2.6
127.03930	67.4
142.58403	1.5
145.04970	38.9
147.02869	2.8
147.67491	1.5
151.07518	1.6
159.02919	16.2
189.03966	5.6
209.11774	4.6
213.03986	2.6
231.05055	16.7
249.05988	3.0
295.11740	3.6
313.13055	2.0
329.12637	2.0
329.62253	1.9
369.09589	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0213
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53913	0.3
78.13548	0.2
101.00892	2.6
119.01932	6.7
126.50674	0.2
134.99870	0.5
136.59750	0.2
137.02972	0.9
137.30426	0.2
139.87570	0.2
140.98834	0.5
142.03358	0.2
153.00955	0.3
158.99870	2.1
165.99638	0.2
167.39000	0.2
173.69519	0.2
175.03035	0.4
177.00963	17.9
178.01115	0.8
182.99937	0.4
188.28665	0.2
193.04146	0.3
201.01022	1.8
209.73743	0.2
216.98871	0.2
217.04112	3.1
217.99129	0.4
219.02025	22.8
220.02164	1.0
221.02361	0.4
225.00861	2.2
235.00064	0.6
236.00172	0.5
236.99884	0.3
240.98982	0.3
241.99123	0.4
243.02010	8.6
244.02075	0.4
245.02359	0.2
258.99881	1.4
260.00092	1.6
261.03082	100.0
262.03253	3.7
263.03143	0.8
275.04739	0.6
277.01050	1.0
278.01236	1.0
279.00940	0.4
282.99942	2.3
284.00110	3.7
284.04724	2.1
284.99918	0.8
287.24786	0.2
301.01117	2.8
302.01184	4.5
303.00848	1.4
326.01361	0.5
343.02368	0.7
344.02225	2.6
362.03168	0.7
363.51282	0.4
364.01114	0.4
367.02313	0.7
373.01712	0.4
385.03238	4.2
386.03268	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22664	0.3
53.03944	1.5
53.48406	0.4
55.01874	0.7
55.05502	1.4
57.03432	0.5
57.07082	11.6
60.04588	0.4
63.10215	0.4
66.58482	0.4
67.05517	2.5
69.07071	3.0
79.05487	1.9
81.03419	7.4
81.07072	2.4
83.08618	0.5
85.06078	0.7
85.06554	7.4
91.05470	1.8
93.07043	1.8
95.04973	0.6
95.08617	2.0
96.39132	0.4
98.20612	0.7
99.00821	0.8
103.05429	0.6
105.07050	3.2
107.04977	0.6
107.08581	1.4
109.02892	8.7
109.06532	11.8
109.10153	0.6
111.08077	0.6
117.06996	0.7
119.08607	1.5
121.02898	0.9
121.06525	0.5
121.10134	1.0
123.08112	2.1
123.08836	0.4
131.08556	1.1
133.06506	16.1
133.10168	0.9
135.00873	0.7
135.08096	2.0
135.11594	0.5
137.05983	1.7
142.07790	0.5
145.06502	0.4
145.10170	1.1
147.08014	1.2
151.07555	8.3
157.10152	1.0
171.11746	0.8
173.09628	0.5
175.11177	1.9
177.01834	5.9
179.03386	2.4
185.13292	0.7
187.11186	0.4
189.01875	0.9
189.12761	13.3
193.12241	0.8
195.02905	23.5
197.04456	1.4
203.05255	0.7
231.06531	3.6
233.08084	1.2
249.07616	1.4
257.08109	0.6
263.20087	100.0
264.20456	2.2
307.16849	0.4
309.07590	1.3
365.10397	0.6
365.14066	4.5
365.27332	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2475
Annotation	Quinestrol
Peak:m/z	Relative Intensity
53.03937	6.7
55.05524	29.9
57.03433	6.4
57.07071	6.6
59.04984	8.3
62.60322	5.0
67.05507	46.0
69.03423	9.9
69.07075	32.9
75.01826	5.9
79.05503	40.1
81.07049	44.8
83.08611	14.8
91.03916	7.2
91.05481	52.7
93.07050	46.7
95.04971	32.2
95.08588	31.2
97.02884	8.2
97.06533	7.0
105.07035	66.2
107.08594	41.2
109.06533	13.5
109.10170	25.7
115.05464	9.1
117.07022	16.6
119.08603	46.0
121.06487	10.7
121.10145	41.4
123.08121	7.8
123.11741	6.2
125.09628	8.9
128.06279	11.5
129.06990	20.9
131.08588	39.1
133.10126	25.6
135.08081	20.3
135.11732	12.5
137.09683	6.9
142.07773	17.7
143.08580	24.5
145.10127	36.6
147.07993	8.7
147.11697	11.2
147.41089	5.8
149.02281	6.3
149.09647	15.6
155.08575	15.0
156.09315	13.3
157.10149	34.0
158.10916	6.7
159.08162	8.3
159.11664	16.0
161.09628	8.8
161.13264	10.0
163.07523	7.2
163.43683	6.2
165.01852	17.7
167.08588	15.4
168.09398	8.8
169.10135	29.4
171.11693	16.1
173.09616	12.3
173.13243	38.5
175.11311	7.8
177.01814	7.0
177.12497	6.2
179.08554	5.7
181.10138	13.0
182.10959	6.2
183.02904	8.2
183.11739	29.0
185.13277	16.8
189.12785	7.7
191.14337	22.5
193.10158	17.5
194.10881	8.5
195.11722	23.1
196.12468	7.9
197.13246	18.4
201.12770	10.7
203.14407	6.8
206.10994	7.8
207.11696	14.7
208.12529	9.7
209.13329	13.3
210.13957	6.3
211.14908	12.7
213.12752	7.7
220.12465	10.7
221.13307	14.5
223.14891	10.6
227.14294	7.3
237.16321	9.4
247.14867	8.1
248.15717	6.0
249.07684	7.6
255.17476	9.5
260.15665	5.5
263.17810	6.3
272.53299	6.3
281.19135	8.8
291.19601	22.2
297.18170	6.3
309.07651	7.3
327.36292	6.1
337.25473	10.2
347.23721	30.5
365.24765	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.2
55.05512	0.8
55.65307	0.6
56.96582	3.4
57.03441	1.2
61.02911	1.1
67.01865	7.3
67.05508	4.8
68.99786	5.3
69.03432	3.4
69.07075	59.1
69.78851	1.3
69.79236	1.6
71.05003	0.8
73.02917	0.7
77.72578	0.6
78.69042	0.6
79.01844	0.6
79.05483	1.8
81.03432	1.9
81.07071	3.2
83.01344	0.9
83.04979	0.6
83.08623	0.7
83.86088	0.5
85.02909	1.6
90.74371	0.5
91.03951	0.7
91.05456	2.7
93.06544	0.6
93.07058	1.9
95.04953	0.9
95.08577	1.5
97.02905	2.6
97.06537	0.6
98.21415	0.9
98.97549	0.7
105.07043	1.9
107.05025	0.7
107.08614	1.6
109.10160	0.8
111.00833	1.5
111.08115	0.5
115.05478	4.0
116.98666	0.6
117.07027	1.3
119.04964	0.6
119.08595	1.0
121.02844	0.6
121.06450	0.6
121.10150	0.9
123.04440	3.0
123.08118	0.7
125.02338	1.0
127.03951	1.5
128.06209	1.1
129.06963	0.9
131.04953	5.7
131.08565	0.8
133.06494	1.1
133.10191	0.7
135.08063	0.8
135.11720	0.8
137.02361	0.9
139.03914	1.4
141.07010	1.9
143.03137	0.6
143.04922	5.1
145.06523	0.8
145.10129	0.8
147.04417	1.4
149.01228	0.7
149.02373	1.8
151.03926	1.6
153.01842	100.0
154.02173	1.3
154.07755	0.6
155.04932	2.2
157.05219	1.3
157.06502	23.2
157.07768	1.3
157.10129	0.9
161.09682	0.6
165.07045	1.3
167.03424	1.4
167.08578	1.2
169.06479	1.5
169.10117	0.9
171.02907	20.1
171.04443	24.8
177.01898	2.9
178.07806	2.5
179.03418	23.5
179.08554	1.0
181.06505	7.1
182.07358	0.8
183.04428	16.5
183.07988	0.9
184.05273	1.4
187.11223	1.7
189.07031	2.2
193.06555	2.0
193.10155	2.9
195.08093	3.0
197.05992	8.7
197.07753	0.8
197.09584	3.1
197.46027	0.6
199.11288	1.4
201.05487	4.1
203.05275	0.7
205.06519	2.4
206.07291	2.1
207.08051	0.9
209.06041	0.8
211.07874	0.7
211.11148	0.7
213.05548	0.8
213.12769	3.3
215.10721	0.6
217.06548	2.6
218.07451	0.7
221.06189	3.6
221.09615	14.3
223.07596	5.1
225.05515	1.6
227.07079	1.0
235.07545	8.4
236.44424	0.6
237.05530	0.7
239.06972	1.3
239.10712	13.6
243.09003	0.7
245.05983	3.0
245.08229	1.2
249.05463	2.2
255.06670	0.6
255.09178	1.0
263.07043	10.0
266.05737	0.9
267.06522	2.3
267.09006	0.9
269.10516	1.5
273.05450	0.9
281.08075	2.2
285.10172	1.8
291.06534	88.1
291.19598	2.3
292.06891	2.0
297.07608	8.2
309.07596	12.4
323.09290	0.8
347.12802	2.5
364.33273	1.0
365.13870	27.1
365.23248	1.7
365.33597	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.7
55.01875	2.8
55.05493	1.5
56.96541	0.6
57.03416	0.9
65.03920	1.5
67.05505	2.7
68.99778	1.1
69.03406	1.0
69.07039	2.3
69.07382	0.6
71.55650	0.8
77.03915	1.5
79.05494	5.6
81.03390	1.5
81.07043	4.0
83.01351	3.1
83.08616	0.6
91.05488	5.2
91.50037	0.5
93.03411	4.7
93.07042	4.9
95.04955	1.7
95.08579	1.7
103.05460	1.3
105.03394	2.5
105.04422	0.6
105.07040	4.7
107.01281	0.6
107.04926	3.7
107.08597	5.4
109.02882	1.4
109.06537	2.9
109.10130	0.9
115.05447	1.7
117.07019	6.7
119.04908	0.7
119.08562	1.6
121.02863	2.1
121.06516	8.5
121.10201	0.7
125.09599	0.7
129.06985	1.4
131.04927	0.9
133.02831	1.2
133.06445	1.6
133.10074	0.6
135.04463	2.7
135.08063	44.0
141.06947	0.7
143.08533	0.6
145.06479	2.4
145.10066	1.4
147.04355	0.8
147.08051	1.6
147.11670	0.8
149.05966	0.5
155.27559	0.6
157.06477	0.5
157.10121	0.5
159.04413	1.8
160.05072	0.5
160.96431	0.5
161.02321	3.3
161.05949	1.2
163.07565	3.4
169.01263	0.8
171.02806	0.5
175.03900	1.0
175.07495	2.9
177.01962	2.3
179.03445	0.6
183.11778	0.6
187.03964	0.6
189.01836	28.2
189.05463	15.2
195.02872	1.5
197.30298	0.5
200.04607	0.5
201.09056	0.6
203.03419	0.7
203.05309	0.7
203.07120	1.3
207.02908	16.3
207.06511	1.9
211.02377	1.0
211.07663	0.7
213.05450	2.8
215.03322	2.5
215.07076	2.2
216.04153	0.8
221.08083	0.6
223.13206	0.9
227.14368	0.5
231.06532	100.0
232.06801	1.1
239.07112	0.7
249.07593	49.3
257.08112	13.6
263.09314	0.6
281.11780	0.8
285.91235	0.5
291.19623	3.1
309.07666	1.3
323.12784	5.8
365.13885	20.4
365.23495	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	365.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53482	2.1
56.06697	1.8
56.68163	2.3
56.96571	34.9
56.99314	1.8
57.72665	2.1
67.05512	3.5
68.05048	2.3
69.03416	3.3
69.07063	6.2
70.06590	7.7
71.55092	2.1
71.55457	3.0
72.04514	3.0
79.05498	3.2
81.07050	3.6
84.04501	3.0
84.08142	2.6
84.96042	3.2
85.02905	6.8
86.09711	4.9
91.05465	10.0
93.07044	11.8
94.02485	2.0
94.06565	14.7
95.04969	6.0
96.04489	6.6
97.02896	3.1
98.97593	30.3
107.08551	4.5
108.04459	2.2
108.08174	3.7
110.06078	4.2
110.97536	11.1
111.08097	8.7
116.98618	11.9
117.05546	2.8
117.07033	3.5
118.06547	3.7
120.04466	6.7
120.08094	7.5
122.06042	20.5
123.04462	4.4
124.07619	3.5
128.98631	13.6
132.04507	2.5
133.29158	2.2
134.06020	2.1
134.09656	6.6
134.99687	4.6
136.06227	3.6
136.07576	10.2
137.05992	6.1
138.05516	17.3
138.09119	3.6
140.07077	16.5
143.00121	4.8
146.06021	2.5
146.99640	6.7
147.04401	2.9
147.08092	2.4
148.04007	2.9
149.07155	3.3
152.07094	4.8
152.10739	3.3
154.08636	12.1
158.04539	2.8
158.99698	5.4
161.01305	5.7
162.09158	39.8
164.07100	4.7
166.05016	8.3
167.10698	5.4
177.00684	6.6
177.02173	2.5
180.06615	2.7
180.10208	33.6
182.04491	3.3
185.04230	9.2
186.09224	3.2
189.00743	2.4
190.04982	5.2
190.08672	4.4
191.00063	3.0
193.11633	2.2
195.03355	3.2
199.78842	1.9
203.03372	5.0
203.05273	14.9
208.09702	100.0
209.01247	4.1
210.11324	6.6
212.10716	3.7
213.04366	4.5
219.01714	11.1
221.01096	4.2
221.02919	5.4
237.02815	19.2
239.02229	19.3
239.04190	2.5
242.08102	2.5
250.08371	2.6
252.08943	7.1
255.11354	4.5
257.03409	6.1
257.83929	2.8
258.11240	5.2
267.11279	36.4
283.10812	3.0
285.09109	2.9
285.12350	53.2
286.10745	8.1
301.06299	2.4
301.11847	4.8
302.10281	2.7
303.13437	20.4
304.11929	6.3
311.10190	2.6
312.08539	5.7
329.11267	13.3
330.09750	17.0
331.10104	2.5
333.10876	3.8
343.12408	2.8
347.12408	29.2
348.10962	4.0
365.04739	36.8
365.13257	86.7
373.39780	2.1
383.06561	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	365.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23365	0.7
69.61355	2.8
69.61756	1.8
101.00915	0.8
185.04236	22.0
203.05284	51.0
209.64316	0.9
228.61336	0.8
245.05130	2.0
312.93564	0.8
365.10587	100.0
366.10733	1.5
369.96985	0.9
378.94177	1.0
379.11124	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34746	0.7
56.96299	1.0
56.96571	20.0
67.75896	0.8
69.03439	1.7
69.07066	1.7
69.62984	5.4
70.06595	2.8
72.08167	1.4
81.07071	1.7
84.04520	1.4
84.08154	1.6
84.96037	2.8
85.02913	2.2
85.65530	0.9
86.09709	2.7
91.05479	0.9
93.07066	1.3
96.04497	1.0
97.02911	1.4
98.97598	19.6
105.89108	0.9
107.04922	1.2
107.08560	1.1
109.06515	1.0
110.97578	7.4
112.99135	1.3
116.77528	0.8
116.98624	7.6
120.08132	1.4
121.10134	1.0
124.07623	1.1
127.03886	0.9
128.98596	5.9
130.05006	0.9
131.00220	1.4
134.99644	1.4
140.98604	1.2
143.00195	3.1
144.98061	0.8
145.02745	0.8
146.99658	3.5
147.04362	0.9
158.99760	2.1
160.14908	0.9
161.01273	2.9
162.09154	1.4
163.03928	1.1
170.99626	1.4
177.00789	2.5
177.13533	0.9
178.09499	0.9
180.10081	0.9
185.04198	5.5
185.99060	0.9
191.00264	1.3
195.03333	2.9
202.06261	1.0
203.03253	2.4
203.05322	4.1
208.09764	3.2
213.04405	1.6
219.01706	5.7
221.01201	2.2
221.03052	1.8
237.02850	9.3
239.02318	11.8
245.05659	1.2
257.03339	4.8
263.02213	1.3
281.03445	1.6
285.12442	1.4
291.09808	0.8
309.10712	1.3
347.12405	1.9
365.04898	22.8
365.12186	100.0
366.12601	1.7
383.06540	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	365.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
63.54895	0.7
69.57290	5.4
77.98396	0.7
81.03420	1.0
81.07046	0.7
121.02874	1.7
137.02335	2.0
138.67960	0.7
150.09972	1.1
162.15710	0.8
171.00537	1.9
185.04254	4.7
203.03177	100.0
221.04364	0.7
337.07068	2.7
365.08661	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	365.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
70.18398	0.7
70.18803	1.1
75.34769	0.3
75.38735	0.4
105.20811	0.4
173.03000	0.7
185.04236	26.4
203.05293	54.0
203.60057	0.3
235.74631	0.4
245.05136	0.9
365.10583	100.0
366.11133	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	78.6
57.03415	1.8
62.85999	2.0
69.03426	2.2
70.06584	3.5
71.55172	2.5
76.16101	1.5
80.57480	2.1
81.03402	1.8
82.92426	1.6
83.07497	2.1
84.04565	1.8
84.08153	1.7
84.96034	12.0
85.02904	3.5
86.09710	2.7
86.75479	1.7
88.07647	1.4
97.02930	2.1
98.97598	70.9
107.08556	2.1
110.97587	25.9
112.99136	3.7
116.98639	21.4
121.10165	2.4
124.99155	2.8
128.98608	21.4
131.00162	3.0
133.84212	1.5
134.99628	4.1
143.00206	10.1
144.98126	3.0
146.58824	1.6
146.99596	9.2
149.01244	1.9
149.09654	2.1
158.99672	6.3
161.01285	14.3
163.03891	1.9
165.00690	1.8
169.01860	1.9
170.99651	6.6
177.00728	9.1
177.02202	4.0
177.05450	2.3
179.02307	2.9
185.04247	5.1
189.00735	3.3
191.00175	5.7
191.29791	1.9
195.03282	12.2
201.00708	4.7
203.03188	12.2
203.05281	6.0
209.01250	5.6
213.04402	9.6
219.01758	23.4
221.01048	10.9
221.03067	12.7
221.04884	2.5
237.02821	35.0
238.99934	3.3
239.02267	44.7
257.03345	21.3
261.57831	1.7
275.02121	2.4
279.05118	1.9
305.03186	3.1
317.03452	1.8
335.04370	2.2
347.05765	5.3
347.12537	2.0
355.24020	1.9
365.05356	100.0
365.08664	86.8
366.05426	2.7
383.06479	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	365.064
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96299	4.3
56.96572	77.9
57.02444	2.6
65.93356	3.1
66.53828	2.6
67.05475	2.5
70.06618	5.4
71.55010	3.1
80.89640	2.5
84.96051	12.5
85.02929	3.9
92.29218	3.0
97.02873	2.8
98.97594	64.2
110.57140	2.7
110.97584	21.4
112.99177	4.6
116.98637	20.9
119.04955	2.9
128.98610	23.3
131.00197	2.9
134.99686	5.7
137.05984	3.3
140.98586	3.1
143.00175	10.5
145.01785	2.9
146.35486	2.5
146.99657	10.8
147.04370	3.4
149.01250	2.6
156.13858	3.8
161.01222	14.2
163.03870	4.0
169.22472	2.4
170.99709	3.5
177.00723	4.3
177.02182	3.4
185.04243	9.1
189.00737	7.9
191.00227	6.7
195.03389	14.3
201.00668	4.9
203.03214	16.1
203.05202	6.8
209.01225	5.9
213.04381	10.9
219.01813	21.2
221.01225	9.9
221.02985	11.6
221.04811	3.2
237.02846	38.8
239.02280	52.5
257.03342	22.1
260.04639	3.3
263.02087	4.7
281.03381	4.2
293.03458	2.6
305.03445	3.2
317.03366	3.7
335.04498	4.5
365.05304	89.0
365.08615	100.0
383.06604	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	365.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	61.5
61.02908	1.2
69.03404	1.9
70.06601	1.9
70.83104	3.1
78.27606	1.1
78.65244	1.1
79.05498	1.5
80.05015	1.0
81.03413	2.1
81.07045	2.3
82.03694	1.0
84.96046	8.6
85.02900	3.8
86.09700	1.5
87.11116	1.3
96.22398	1.1
97.02886	2.0
98.97596	50.0
107.08582	1.7
110.07115	1.2
110.97581	18.8
111.10789	1.1
112.99097	3.2
116.98647	17.6
124.99181	2.6
127.03856	1.2
128.98628	18.8
131.00154	3.2
134.99678	2.3
140.98627	3.3
143.00165	8.2
146.99721	7.7
147.04443	1.6
158.31950	1.1
158.99634	4.7
159.00890	1.0
161.01207	7.1
167.10699	2.6
170.99661	4.5
177.00716	5.2
177.02090	2.0
179.02278	2.0
181.01711	1.6
185.04282	1.4
189.00671	3.2
190.12280	1.6
191.00151	4.3
195.03279	9.2
201.00659	3.0
202.06680	1.5
203.00119	1.6
203.05336	1.6
207.01790	2.0
208.65999	1.3
209.01201	3.8
211.02916	1.0
211.07378	1.5
213.04373	8.7
219.01768	18.8
221.01242	9.7
237.02837	26.7
239.02293	35.5
255.03909	2.3
257.03320	15.3
262.03729	1.6
263.02255	3.1
271.90021	1.2
281.03217	2.3
305.03378	3.5
307.05069	1.2
317.03293	1.5
325.05817	1.8
347.04315	3.2
365.05472	100.0
365.12491	6.0
366.05917	2.3
383.06570	12.8
387.73013	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2696
Annotation	Broussonetine S
Peak:m/z	Relative Intensity
53.03942	1.0
55.01880	1.5
55.05508	2.8
56.05048	3.7
56.96560	0.8
57.03437	2.2
60.04533	100.0
62.06070	0.9
67.05511	11.6
68.05025	0.9
69.03437	1.6
69.07087	3.9
70.06598	4.7
71.04995	2.5
71.55470	1.3
72.04510	2.6
74.06065	3.9
77.18848	0.8
79.05505	9.5
80.05016	1.4
81.07069	10.5
82.06584	2.8
83.08627	1.3
84.04509	1.9
84.08134	1.6
85.02904	1.7
85.06545	2.4
86.06055	0.9
86.09705	2.0
90.05595	1.6
91.05486	11.2
93.07050	10.0
94.06589	3.8
95.04964	2.2
95.08614	8.5
96.08140	1.6
97.02872	1.4
97.06528	1.9
98.06073	1.3
98.97583	2.2
105.07033	6.9
107.04922	0.7
107.08615	6.5
108.04495	0.9
108.08096	0.9
109.06547	1.0
109.10188	1.5
110.07214	1.3
111.08107	1.2
116.07087	2.6
117.07031	2.5
119.08579	4.2
120.08116	3.0
121.02811	0.9
121.06480	1.5
121.10178	4.4
122.02444	1.8
123.08054	0.9
123.11734	1.2
131.08586	5.5
133.10094	2.9
134.09689	1.0
135.11705	1.8
137.05997	1.1
139.11176	0.9
143.08571	1.8
145.10150	3.1
147.07985	0.9
147.11726	2.5
148.11096	0.8
149.09637	3.3
157.10030	1.5
159.11725	1.9
161.13318	1.4
166.05045	1.5
167.10657	3.0
168.06621	0.8
169.10185	0.8
171.11745	1.4
173.13287	2.1
175.14836	1.3
182.04509	1.1
192.01620	0.7
196.06088	3.3
206.05170	1.7
210.15022	0.9
274.21667	1.3
280.22842	1.4
281.39743	0.7
292.22720	3.8
310.23856	6.3
328.24838	12.1
333.10873	1.2
346.11557	1.2
346.22180	1.3
346.25922	32.9
347.26321	1.3
364.26959	75.7
365.10504	2.3
365.16687	1.0
365.27292	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	364.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
57.53673	2.7
59.04996	3.8
60.04512	4.6
67.05487	3.1
71.00201	4.4
79.05492	11.1
81.07063	26.3
85.02901	6.6
91.05470	6.7
93.07051	11.8
95.08624	15.5
97.06551	3.7
98.97584	4.2
101.34586	3.0
105.07022	7.5
107.08606	5.1
121.10160	100.0
123.11716	24.8
125.06005	6.9
139.11183	16.0
149.09636	8.4
167.10689	46.4
196.45665	3.2
197.30479	2.6
252.84877	2.7
308.65225	3.0
347.29880	2.6
365.15930	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	364.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32359	2.0
55.05499	8.2
60.04518	7.6
67.05494	5.2
69.03416	3.9
69.52077	16.1
73.39881	2.3
79.05489	6.5
81.07053	7.9
91.05474	9.7
93.07053	18.8
95.04973	2.6
95.08649	2.3
95.52354	2.2
97.06509	3.3
101.87724	2.2
105.06992	2.4
107.08572	3.8
110.07166	2.4
113.06020	4.0
121.02842	4.9
121.06525	11.0
121.10135	20.2
125.05992	2.6
131.08568	28.0
137.02342	6.2
147.04362	2.8
149.09622	56.1
161.02295	2.9
167.10683	100.0
167.12119	4.9
185.04237	3.4
185.11719	12.0
190.05084	2.7
190.23341	2.4
191.05231	4.2
201.17796	2.0
203.01445	3.9
203.03166	43.3
219.93440	2.1
223.07925	2.8
257.15704	2.3
337.07037	5.9
364.08835	9.8
364.26794	3.4
365.06250	28.8
371.25903	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	363.253
Annotation	Aglatomin B
Peak:m/z	Relative Intensity
53.03913	1.2
55.01829	2.2
55.05512	8.2
57.03402	1.0
57.07079	3.6
59.76592	0.5
65.03915	0.5
67.05505	8.5
68.99740	1.7
69.03389	0.8
69.07066	9.3
71.04954	0.9
71.08585	1.7
79.05489	5.1
79.30052	0.5
81.03416	3.0
81.07060	10.6
83.01289	2.1
83.04941	1.7
83.08624	4.8
85.10134	0.7
89.06030	2.4
91.05483	2.8
93.07057	6.8
95.04966	3.9
95.08607	10.3
97.02855	1.4
97.06542	5.6
97.10172	3.6
98.21522	1.3
99.00766	1.2
105.07001	3.5
107.04896	1.5
107.08601	5.7
109.02888	9.1
109.06454	1.6
109.10162	3.2
111.00824	2.7
111.04392	2.1
111.08027	1.6
111.11704	0.9
117.06966	0.7
119.08592	3.3
121.06448	1.5
121.10137	4.4
123.04371	2.2
123.08014	1.7
123.11668	1.1
125.02322	3.4
125.05968	3.0
125.09613	1.1
127.03949	3.3
129.06970	1.1
131.08519	1.7
133.06436	1.2
133.08611	0.8
133.10133	2.7
135.08086	2.4
135.11725	2.4
137.09540	1.7
137.13225	0.8
139.03897	3.4
139.07475	1.9
139.11195	1.0
141.05457	3.5
143.08519	1.1
145.06355	0.5
145.10143	1.0
147.07983	1.5
147.11673	1.3
149.09538	1.4
149.13245	0.7
151.03906	45.5
151.11137	0.7
152.04227	0.6
153.05496	4.0
153.09056	1.2
156.24843	0.5
157.10124	1.1
161.05954	0.8
161.09552	1.3
161.13240	2.3
163.07550	1.2
163.11090	0.7
163.14813	2.3
165.05443	1.4
165.09042	1.1
167.07060	0.6
167.10692	1.0
169.08475	0.5
171.10179	0.5
171.11665	1.1
173.13177	0.7
175.07445	0.8
175.11142	1.0
175.14825	0.6
177.12679	0.7
177.16362	1.9
179.07071	1.1
181.08540	1.5
181.12149	0.7
185.13290	0.8
187.14810	0.5
193.08563	2.9
193.12050	0.5
195.10146	2.0
195.12061	1.0
195.17355	0.5
199.14937	0.5
203.17937	1.0
205.15858	3.1
209.11710	1.3
213.16316	1.1
221.15298	0.7
223.13356	0.8
223.16931	6.8
229.42574	0.6
231.17416	2.6
241.17993	0.9
247.16815	0.7
259.17026	2.3
262.39618	0.6
265.18027	8.5
273.22125	2.0
277.18002	7.2
301.21658	1.7
319.22681	100.0
320.23010	2.1
357.98401	0.5
358.21399	0.6
363.25311	34.0
363.29440	1.3
364.25574	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	30.7
56.96564	10.9
67.05503	35.3
69.03426	16.1
69.07064	21.2
71.04981	7.0
71.56290	10.9
79.05488	18.1
81.03424	14.5
81.07075	70.4
83.08621	22.3
85.02894	7.8
85.06546	15.5
91.05489	20.6
93.07066	13.1
95.08614	43.5
98.97584	25.5
105.07058	24.8
107.04948	8.0
107.08587	15.6
109.10124	7.3
113.06056	9.4
119.08565	11.4
121.10160	20.8
122.06182	8.0
123.11742	100.0
127.66156	7.0
131.08554	8.5
137.06001	12.2
137.13231	7.7
140.07050	12.9
145.10152	7.8
147.11696	48.7
158.99635	8.6
160.05229	8.3
165.12738	65.1
183.13870	41.1
197.74997	6.9
201.14777	17.9
264.14908	8.8
271.77942	6.6
273.15271	15.2
289.11884	14.3
335.09320	12.6
363.08435	15.9
363.18082	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	363.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64694	0.3
52.64954	0.3
55.05508	0.4
57.02004	0.4
57.03411	0.4
60.71693	0.3
61.93748	0.3
65.36201	0.4
69.87006	1.9
70.47137	0.3
76.49320	0.4
81.07042	0.4
91.05473	1.5
98.97585	0.4
115.05472	1.9
117.05759	0.6
117.07008	1.9
118.06550	29.6
119.07263	0.4
119.08607	0.6
130.06448	0.5
131.07262	0.4
131.08553	0.4
132.08101	2.5
133.08875	1.6
139.88815	0.3
142.06543	1.9
143.07338	2.5
144.08092	11.2
146.06021	45.1
146.09659	2.0
147.06317	0.7
160.07623	0.6
170.06027	4.4
173.84480	0.4
176.14357	100.0
177.14690	1.1
188.07079	30.7
193.12151	0.5
216.13831	0.7
234.14888	1.8
267.09024	1.1
285.10101	1.5
363.20712	19.4
364.20956	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
63.47407	6.0
67.05515	9.4
69.07070	15.5
69.72275	36.5
73.40439	6.1
93.07053	7.3
94.06573	22.4
98.20809	10.8
112.02228	8.5
120.08119	7.8
121.02837	6.1
122.06045	77.7
124.07526	7.7
125.52088	5.7
139.79968	6.7
140.07089	97.4
144.04500	12.7
146.05981	13.7
148.03951	16.5
150.05426	7.3
162.05490	16.3
167.10544	9.9
172.03970	53.4
190.05026	24.5
204.06577	100.0
206.08148	25.0
222.07607	21.6
226.00204	7.8
244.09714	30.6
271.10736	10.8
272.08929	9.1
289.11835	81.2
301.57025	6.1
307.13031	28.4
331.12955	11.2
335.09103	7.7
345.14484	10.0
363.08658	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	363.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04527	5.7
60.64482	3.6
62.48307	3.9
64.70020	4.9
65.03938	4.1
65.44612	4.0
67.05505	6.9
68.09074	4.2
68.27016	4.0
69.07056	15.4
70.78967	9.6
70.79314	5.4
79.05481	5.5
81.07068	5.8
84.08131	5.5
91.05467	6.5
93.07060	7.3
94.06564	36.1
94.34510	4.4
95.04978	6.6
97.06563	4.7
107.08527	5.7
110.06010	4.6
116.04984	6.2
120.04488	5.2
121.10139	5.1
122.06046	78.7
124.07560	5.0
131.08621	4.9
140.07072	100.0
144.04424	11.0
144.17220	5.9
146.06010	12.2
148.03929	20.5
149.09647	6.4
150.05472	7.8
162.05505	19.8
166.04968	6.1
167.10670	8.1
172.03932	48.4
190.04974	26.7
193.06456	5.8
194.04655	5.4
204.06555	90.4
206.08073	20.3
222.07574	24.1
244.09679	20.2
271.10855	9.9
272.09070	5.9
289.11810	77.1
299.10718	5.2
307.12894	30.5
331.12872	16.8
335.09027	4.8
345.14557	16.0
354.35016	4.5
363.08395	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	362.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.8
57.03447	2.5
60.04525	4.7
60.16192	2.0
61.02938	2.0
69.03447	4.5
70.06610	10.6
71.54281	2.0
71.54659	2.7
73.02919	2.3
76.02219	5.5
79.05497	5.2
81.03417	4.7
81.07055	2.3
84.04519	2.4
85.02907	28.5
85.87648	2.0
86.09708	3.9
91.03989	3.2
91.05486	10.0
93.07028	3.7
95.04964	2.2
95.89366	1.9
97.02896	7.6
98.97582	2.3
99.04517	3.1
103.05499	5.2
105.00108	4.5
105.07042	22.9
107.04953	5.4
107.08555	2.0
109.02923	3.5
110.07198	2.6
116.06247	2.1
117.07014	4.7
121.06518	8.3
121.10213	2.0
122.02741	35.0
122.03580	4.5
123.04455	10.4
127.03931	4.1
131.08568	20.3
133.06502	38.9
135.08051	2.9
137.05994	100.0
145.04930	6.7
149.05989	2.6
149.09622	4.7
149.99373	2.1
159.08064	8.1
163.03976	2.3
165.05460	6.8
165.09155	31.4
177.09100	27.4
183.10165	27.7
187.07591	8.7
205.08621	6.0
208.09735	2.7
219.01680	2.7
299.16180	2.1
302.61850	2.1
344.12024	2.5
361.41959	2.0
362.13672	2.0
362.18527	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.1
56.96559	0.9
57.03433	0.6
61.02916	0.7
66.26094	0.4
67.05502	1.1
69.03417	1.2
69.07065	1.4
71.04977	0.4
71.55125	0.4
71.55494	0.6
79.05491	1.3
81.03420	0.7
81.07046	2.0
83.04989	0.9
85.02873	0.8
91.05475	1.3
93.07032	1.6
95.04955	0.8
95.08596	1.6
97.02892	0.7
97.06525	0.5
97.10157	1.1
98.97555	1.1
99.04421	0.6
105.07009	1.9
107.08597	1.6
109.06495	0.5
109.10140	1.0
115.77390	0.6
116.98643	0.7
117.07011	0.5
119.08626	1.1
121.10175	1.0
123.11761	0.6
126.96556	0.4
131.08563	0.9
133.10167	0.9
135.11684	0.5
145.10135	0.7
147.11734	0.7
151.04057	0.5
159.11809	0.6
161.05942	0.6
161.09682	0.7
161.13287	0.4
163.03952	1.1
167.07074	0.8
181.05032	0.7
216.04178	0.9
227.03491	0.7
229.05060	0.8
231.06589	0.6
244.03749	1.1
255.02921	1.3
257.04358	0.8
259.06024	3.6
285.04001	0.6
287.05582	6.0
313.03409	4.9
331.04605	1.5
335.15079	0.5
363.12039	100.0
364.12408	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.3
59.64087	0.6
61.02914	2.2
67.05482	1.3
69.03429	6.6
70.18566	2.8
73.02882	1.2
78.62301	0.6
78.81409	0.8
79.05439	0.7
81.03414	1.9
81.07038	1.4
84.04491	1.0
84.08110	0.8
85.02912	12.4
86.09687	2.4
91.05469	1.2
93.07019	1.3
94.06565	4.9
97.02887	3.1
98.97575	1.5
99.04475	1.3
108.08118	5.8
109.02885	0.7
110.06029	2.8
112.03910	0.8
112.07617	1.2
122.02733	1.1
122.06033	19.5
127.03897	2.3
131.08551	1.0
134.05956	0.9
136.07588	17.0
138.09152	1.3
139.07550	1.5
140.07069	25.6
145.04935	2.1
147.04405	0.8
154.08638	14.8
163.03943	0.7
164.07121	3.9
166.07280	1.1
168.08659	0.6
177.09073	0.9
179.08385	0.9
180.09013	1.2
182.08134	21.6
183.08224	1.3
184.08389	1.9
200.09192	100.0
201.09357	0.7
201.12344	0.9
207.08049	1.5
208.08406	5.1
211.09512	0.9
212.07973	1.6
216.11429	1.1
235.07564	1.8
236.07875	7.4
238.09343	0.7
239.07053	2.0
240.07343	5.1
252.10155	1.0
253.10507	5.6
264.07462	0.7
265.67807	0.6
282.08374	4.5
285.09622	1.1
298.12674	3.0
299.11133	7.2
316.13644	1.3
327.10608	1.2
344.13239	4.6
362.14194	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.6
56.96567	3.9
57.03430	1.4
58.99593	9.0
64.13419	1.2
69.03423	3.8
69.57185	7.9
73.17918	1.2
76.02242	19.8
79.05499	4.9
83.04955	1.4
85.02915	3.4
86.99064	8.1
91.05489	16.1
93.07072	7.1
95.08666	1.4
97.02882	2.4
98.20713	1.6
98.97602	6.2
103.05480	2.4
105.00122	10.2
105.07043	11.4
107.04978	3.9
107.08592	6.2
109.10111	1.3
115.05473	1.8
116.06242	3.1
116.98590	2.2
117.07021	9.7
119.08581	2.1
121.06504	21.2
121.10126	3.7
122.02741	100.0
127.03969	1.9
128.06215	1.5
129.06990	1.8
131.04907	3.4
131.08583	50.7
133.06491	3.4
133.10155	4.3
135.08054	5.3
137.06073	2.1
145.06493	3.9
147.04387	1.3
149.06047	2.8
149.09647	14.9
149.45886	1.3
154.68039	1.2
159.08061	27.9
161.09674	6.4
163.07549	2.6
163.14760	1.3
165.09129	10.3
177.09125	79.5
179.10701	1.2
187.07574	20.6
200.12817	1.4
205.08662	10.4
207.03256	1.7
219.01910	1.3
223.09671	3.6
237.02861	1.7
241.10780	1.7
242.08107	4.6
362.18652	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	361.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	37.1
56.96561	6.6
57.07089	26.6
58.02895	5.3
61.02936	7.4
67.05511	91.5
69.03429	26.0
69.07068	54.6
71.04990	8.0
71.08637	14.1
77.38892	4.8
79.05503	84.9
81.07066	77.4
83.04978	25.3
83.08616	42.2
83.28401	6.9
85.10172	11.0
91.05492	21.1
93.07050	91.6
95.04935	6.3
95.08616	82.1
97.02878	8.0
97.06532	9.3
97.10181	25.0
105.07040	19.7
107.04924	8.6
107.08600	64.5
109.10148	36.7
111.04426	32.3
111.11718	15.3
119.08589	13.5
121.06502	10.3
121.10142	91.1
123.11708	17.4
125.09550	6.5
125.13244	7.0
126.31157	5.4
126.72050	5.4
129.05516	43.7
129.33952	5.7
131.08551	11.2
133.10138	7.9
135.08081	8.0
135.11705	51.6
139.07567	9.1
145.10213	10.5
149.09624	8.1
149.13257	18.7
151.14828	7.8
159.11700	10.7
161.05975	7.7
163.11195	8.4
165.16380	6.5
175.14859	6.9
193.05002	16.3
233.39629	6.4
238.67284	5.8
247.24229	100.0
265.25327	58.1
271.24261	23.4
289.25162	18.3
307.26187	28.7
325.27307	14.8
361.23987	8.3
361.28943	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	361.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	5.3
55.05514	32.4
56.96569	6.5
57.03427	4.8
57.07063	6.9
66.15362	3.9
67.05505	33.3
68.01805	4.6
69.03421	9.4
69.07072	62.2
71.04996	11.3
71.05836	9.3
79.05498	30.9
81.07059	100.0
83.04984	11.7
83.08624	15.4
85.02932	10.4
85.06544	15.6
87.04468	4.6
91.05472	17.5
93.07052	55.3
95.04961	18.7
95.08619	77.8
97.06524	8.2
98.97581	6.5
99.08102	12.3
105.07054	26.0
107.08596	34.2
109.06498	5.4
109.10152	44.0
111.08131	8.3
111.11703	10.5
119.08590	6.6
121.06516	5.7
121.10149	31.5
123.11726	32.3
125.09633	6.5
131.08516	7.5
133.10127	6.9
135.08041	7.1
135.11742	25.7
137.09616	5.5
137.13293	15.1
145.10101	9.0
147.11685	15.4
149.13191	7.9
151.14847	4.1
153.12717	6.6
159.11739	8.9
161.06009	6.7
161.13290	7.5
163.14848	5.8
165.12663	5.2
182.11465	3.9
189.09155	5.8
196.83339	4.7
219.36217	5.3
227.64967	4.7
271.90717	5.5
273.07565	5.1
273.38620	4.3
278.94196	4.2
289.25433	5.6
295.26443	4.9
307.26358	7.5
315.57791	5.2
379.21494	6.2
382.45764	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	361.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	4.3
55.05511	3.6
56.96552	1.8
64.15767	1.6
67.05499	5.8
68.99788	2.4
69.03412	1.7
69.07072	3.5
70.72209	1.6
70.72540	3.4
71.04996	13.4
79.05485	3.7
81.07040	5.1
83.04988	2.4
83.40614	1.6
91.05496	2.3
91.94913	1.4
93.07046	2.5
95.04964	9.5
95.08611	2.8
102.88065	1.5
103.05493	3.8
105.07056	8.9
109.10178	3.2
113.06034	10.2
116.91347	1.3
120.05710	8.2
120.99225	1.5
121.06494	2.9
121.10120	2.5
123.04425	7.0
127.87673	1.4
133.06506	21.1
135.04384	2.7
135.08057	63.3
137.05971	2.6
139.00258	15.1
139.03906	2.0
144.05737	2.9
157.01340	45.8
159.08049	2.8
161.05994	90.2
163.03816	2.8
164.07040	5.1
168.06601	2.5
181.05101	2.9
185.05984	2.4
191.03423	4.2
199.06036	4.0
201.09120	2.2
209.04472	10.6
213.05476	5.4
227.05499	4.8
229.12207	3.1
247.06157	9.7
255.06435	4.3
273.07593	100.0
274.08136	1.9
275.05527	2.9
286.93292	1.7
299.13040	1.9
325.10770	5.2
343.11774	19.7
361.08899	2.1
361.13034	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	361.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	4.6
56.96576	1.8
67.05506	4.2
68.99803	1.6
69.07075	1.4
71.04997	9.4
71.55816	1.4
71.95294	1.1
77.31053	1.1
79.05508	4.0
85.02880	1.7
87.36817	1.1
91.05498	1.3
95.04974	7.7
95.08632	1.7
103.05495	2.2
105.07061	9.4
107.08614	1.2
109.02866	1.3
113.06045	3.9
120.05742	10.7
121.06515	2.9
123.04446	5.3
133.06503	17.0
133.10074	1.3
135.04410	2.6
135.08070	76.6
137.06004	1.7
139.00240	8.1
147.08032	1.4
157.01341	55.0
159.08105	2.0
161.05997	70.2
162.06413	1.3
163.03963	2.8
166.23457	1.3
167.03403	2.1
185.05981	2.2
191.03401	3.3
205.05013	1.6
209.04451	8.5
227.05545	1.7
229.12021	1.2
247.06044	12.0
255.06554	4.4
273.07608	100.0
275.05637	2.9
297.11307	3.2
299.12701	1.5
304.24796	1.2
325.10596	3.1
343.11911	9.3
361.12744	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11913	6.5
53.03943	7.7
55.01857	6.7
55.05520	43.7
56.96561	10.6
57.03433	7.9
60.04526	8.3
67.05507	87.8
69.07064	49.2
70.66534	7.0
70.66868	15.3
71.05002	94.9
79.05495	92.8
81.03405	10.9
81.07047	32.8
83.08610	20.6
91.05486	33.9
93.07054	96.1
95.08627	43.5
97.06545	9.9
97.10165	32.2
101.02436	8.5
105.07024	16.8
107.04926	10.8
107.08595	46.0
107.93251	7.1
109.10162	56.5
111.08076	11.2
112.95461	7.5
119.08582	16.9
120.08128	8.3
121.10142	64.7
125.09603	24.8
131.08591	7.3
133.10114	16.0
135.11713	7.4
136.50813	7.6
147.11702	9.6
149.09637	8.6
153.12790	48.1
155.10701	25.4
159.11536	8.4
171.26599	8.1
173.11784	100.0
189.11211	25.8
227.16495	10.6
228.48041	7.0
249.52620	7.0
259.08347	10.3
275.20059	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	360.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91720	1.2
55.01859	2.0
56.05013	1.2
56.96579	1.9
57.03442	2.0
60.04525	4.5
61.02924	1.9
65.24740	1.0
67.05516	1.8
68.99815	2.6
69.03435	5.0
69.07066	1.3
70.06611	7.0
71.10879	2.8
72.08186	6.0
79.05495	2.5
81.03429	1.4
81.07049	2.3
84.04517	4.4
84.08151	2.6
85.02925	11.1
86.09716	11.2
91.05492	4.0
93.07059	1.4
95.04456	1.1
95.04951	6.3
95.08604	1.5
97.02892	3.1
97.06525	1.1
102.05550	1.4
103.05480	33.7
105.07065	2.3
107.04958	2.9
115.05469	1.1
116.07114	1.3
117.07028	2.3
117.81882	1.1
119.04964	5.3
120.08125	1.5
121.06518	3.9
122.06026	2.1
123.04438	32.2
123.82790	1.3
124.07642	2.0
127.03905	2.5
129.10219	1.4
131.04945	100.0
132.05309	1.2
132.10237	1.6
135.04417	2.2
135.08057	2.9
136.07581	2.7
137.02399	1.1
137.05991	3.7
145.04996	1.8
145.06503	2.9
147.04445	14.9
147.08086	1.4
149.06012	4.2
151.03951	2.8
161.05998	3.0
163.03912	2.4
163.07565	41.0
165.05496	7.3
173.06039	5.5
179.07033	3.6
181.08566	1.7
190.08664	12.7
191.07045	52.6
201.12303	1.7
203.07104	3.4
208.09709	65.8
213.42670	1.3
217.13702	2.1
220.09625	1.9
221.08052	1.3
253.05428	1.6
325.10687	6.7
342.13510	3.3
342.22745	2.7
343.11765	8.3
360.14163	33.4
360.24069	2.5
361.18698	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57436	4.0
53.03946	4.9
56.96559	7.6
58.99591	18.3
67.05491	4.5
69.03432	19.2
70.06594	11.3
71.04996	5.4
71.54448	7.4
76.02240	14.6
81.03437	5.3
81.07062	10.6
83.04991	6.8
84.08139	9.1
85.02908	13.1
86.00656	59.2
86.09705	11.2
88.03976	6.4
91.05494	20.5
93.07057	57.8
95.04972	11.0
95.08599	4.9
97.02908	9.5
97.06532	15.9
98.97602	9.6
101.00627	24.4
105.00108	9.8
105.07040	37.1
107.04953	5.8
107.08591	11.6
109.06536	9.7
110.07150	5.9
115.02193	14.7
117.06986	6.9
119.01756	6.1
119.04964	5.7
119.08573	13.5
121.06496	8.3
121.10120	6.1
122.02739	100.0
123.08114	12.5
125.04202	5.3
127.03932	15.0
127.72862	4.6
131.08592	6.1
132.01158	82.9
133.10144	89.6
133.11118	8.9
135.04433	5.4
135.08031	13.7
137.06018	9.3
137.09668	4.8
139.07568	23.4
145.04977	12.1
147.04407	14.9
147.11667	5.8
149.09674	13.2
153.09091	8.1
159.11708	4.9
159.15771	4.1
161.09621	45.1
163.03871	8.2
163.07498	8.0
165.07378	8.7
174.04338	5.9
174.61896	4.6
175.11179	26.2
177.09058	10.5
179.10689	75.8
180.11766	4.1
181.08598	36.2
186.04448	7.9
190.05397	8.0
193.06842	19.3
193.12213	6.2
196.45325	5.9
198.07733	8.2
203.10808	5.3
204.05379	10.7
211.07945	15.1
219.09966	5.9
221.11739	72.0
224.90442	4.8
228.05438	5.3
235.07886	8.5
239.12816	57.7
241.61406	4.8
253.08875	15.1
271.09943	23.8
321.44791	4.5
343.12189	64.5
360.14850	91.2
383.08698	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	360.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01847	0.6
57.03424	1.0
61.02913	1.7
69.03440	3.4
69.78709	1.5
69.79118	1.2
71.62520	0.4
72.08153	0.5
73.02905	0.6
77.83122	0.4
79.05497	0.8
81.03426	1.4
84.18002	0.6
85.02911	11.2
86.09729	0.7
89.03438	0.7
89.03911	3.8
91.03973	0.8
92.27097	0.5
97.02906	3.2
98.21487	0.8
99.04463	0.6
107.04943	2.2
109.02937	1.0
117.03396	6.9
127.03920	1.9
130.56171	0.5
135.04428	13.4
139.03928	1.0
145.02866	11.5
145.04004	0.7
145.04889	2.3
163.03915	100.0
164.04295	0.9
165.05496	1.6
171.67534	0.5
178.33228	0.5
181.04976	41.3
182.05287	0.7
221.11848	0.6
234.72237	0.5
283.19919	0.5
360.17084	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40229	0.7
51.02370	0.9
55.01861	1.3
55.05501	1.3
56.00523	0.8
57.03427	1.1
60.04512	1.4
61.02930	0.8
67.05527	0.7
67.65496	0.7
68.99777	1.7
69.03418	1.5
69.07080	1.4
70.06577	6.2
70.07098	2.9
72.08159	4.9
79.05495	1.1
81.03451	0.8
81.07037	1.7
83.01337	1.5
84.04488	1.7
84.08109	1.5
85.02903	4.5
86.09708	9.2
87.04454	0.8
91.05467	3.2
92.58715	0.8
93.07018	1.4
95.04956	3.3
95.08592	1.4
98.97572	1.1
103.05492	7.8
105.07017	1.4
107.04948	2.4
107.08598	1.9
115.05501	1.3
117.07008	3.4
118.44705	0.9
119.04929	4.4
121.06499	4.8
123.04440	30.1
126.32198	0.8
127.03935	0.9
129.10161	0.8
131.04938	18.8
131.05884	0.7
135.04390	2.8
135.08023	3.6
136.07547	2.8
137.05923	2.5
139.03932	1.0
145.06480	4.0
147.04428	13.7
149.05890	3.8
151.03870	2.5
152.12053	0.8
157.06442	1.3
161.05960	2.5
163.03903	6.6
163.07549	22.9
165.05464	7.2
169.13486	0.8
173.06018	8.4
175.07542	1.4
179.07050	6.6
181.04997	1.5
185.06012	0.8
185.16515	1.8
190.08647	18.1
191.07042	72.7
193.32738	0.9
201.12338	1.2
203.07013	3.5
208.09698	100.0
209.09947	1.3
211.04189	2.8
220.09633	1.0
221.07925	1.1
248.43442	0.8
268.04065	1.2
325.10620	5.7
342.13467	4.5
342.22806	1.0
343.08606	0.8
343.11819	7.7
360.14322	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
69.03452	1.3
69.27232	9.3
70.06600	1.6
81.07040	1.3
85.02908	3.7
86.09721	6.0
99.85490	1.3
111.76629	1.0
121.02866	2.9
130.18980	1.1
133.02873	3.3
135.04428	2.1
145.04980	1.6
149.02356	100.0
158.67534	1.2
163.03922	63.2
178.59859	1.2
181.04973	27.2
182.87607	1.2
197.11703	1.3
198.12119	1.5
243.43901	1.1
330.44577	1.2
333.00690	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84295	1.1
53.03938	4.1
55.05515	100.0
63.19479	1.2
67.05499	9.8
69.07062	3.4
69.28632	9.4
69.90595	1.1
79.05494	15.0
81.07068	10.4
83.08624	52.4
89.28547	0.9
91.05485	6.2
92.68211	1.0
93.07045	22.0
95.04939	1.1
95.08608	10.8
105.07029	7.0
107.08591	14.9
109.10178	5.8
117.06991	1.7
119.08585	6.9
121.10155	10.7
123.11721	1.5
129.16573	1.3
131.08600	2.0
133.10147	5.1
135.11700	12.5
145.10133	2.2
147.11703	5.0
149.13269	6.5
151.54630	1.1
159.11629	1.3
161.13235	3.2
163.14818	2.1
173.13283	2.1
175.14845	1.4
189.16420	1.3
200.35918	1.2
221.15324	1.5
259.20538	1.8
275.20035	2.7
277.21643	16.4
359.29446	10.9
359.37054	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	359.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.7
56.96553	3.4
61.02926	2.3
67.05508	2.5
69.03419	4.0
69.07063	2.1
70.06590	2.4
71.00542	3.3
71.00893	1.4
72.08157	2.2
79.05504	3.4
81.03426	2.3
81.07053	4.3
84.08150	2.2
85.02914	12.1
85.06555	2.8
86.09705	8.9
87.95479	1.4
90.04565	1.4
91.05483	4.6
93.07063	8.3
95.04958	2.5
95.08586	2.6
97.02894	2.6
97.06502	2.1
98.97585	2.9
105.07053	8.7
107.04970	5.2
107.08599	30.7
109.10098	2.0
119.08583	4.5
121.10152	5.3
127.03922	1.7
133.10149	20.0
137.05980	4.5
137.09711	1.6
149.09598	4.2
151.03976	2.2
151.11188	7.6
161.09631	7.3
167.07007	1.4
167.10687	11.9
179.10686	13.3
180.07111	1.5
197.11752	100.0
200.48076	1.5
201.12390	1.9
203.05212	1.7
235.66432	1.5
266.54590	6.2
299.05563	1.8
308.55768	1.6
311.12848	1.8
313.07007	2.4
359.08051	1.9
359.16992	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.17
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
55.01875	1.0
55.05511	1.3
55.85675	0.8
57.03436	1.6
59.04988	1.4
61.02918	2.9
67.05501	1.7
69.03432	9.2
69.07070	2.9
70.06586	3.2
71.04991	1.1
71.55216	1.2
72.08155	1.8
73.02921	1.8
79.05495	2.9
81.03416	2.7
81.07055	3.1
84.08140	1.8
85.02908	30.4
85.06550	1.0
86.09707	14.8
87.05570	1.2
91.03932	1.2
91.05487	5.1
93.07047	9.2
95.04959	3.1
95.08656	1.0
97.02897	8.0
103.05454	0.9
105.07040	6.9
107.08595	22.5
109.02888	4.3
109.06517	1.7
109.10172	1.9
116.07075	1.5
119.04935	2.0
119.08579	4.2
121.06492	2.3
121.10112	1.0
123.04478	1.0
123.08064	1.6
127.03917	5.8
129.10173	0.8
133.10136	24.7
133.60878	0.8
135.11710	22.2
137.05994	4.5
137.09605	2.6
137.10608	1.0
139.03862	0.8
139.07553	1.6
141.10249	2.0
145.04965	4.8
151.07567	1.5
151.11137	2.2
156.58177	0.9
157.22980	0.9
161.05949	1.3
161.09602	11.7
166.08640	1.2
179.03409	0.9
179.07156	1.4
179.10678	38.4
183.11276	1.1
197.08029	2.5
197.11732	100.0
198.12077	1.9
200.13940	2.3
201.92036	1.2
205.08678	1.2
210.58441	0.8
228.13425	2.3
234.24303	0.9
246.14488	1.9
359.09293	1.1
359.16895	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.9
56.96566	2.2
57.03427	6.0
61.02922	7.4
63.11992	1.7
65.85209	1.9
67.05508	3.6
69.03438	15.6
69.07068	2.8
70.06605	11.6
70.66360	5.5
72.08167	3.4
73.02888	2.2
74.55903	1.7
79.05492	2.6
81.03423	6.7
81.04548	2.2
81.07074	3.6
84.04498	3.1
84.08156	2.9
85.02911	43.4
86.09713	11.9
87.04457	1.9
91.05467	9.6
93.07034	6.4
95.04977	2.9
97.02908	17.5
97.06506	2.0
99.04454	4.0
101.69847	2.2
103.05449	2.7
105.07058	9.7
107.08607	61.1
109.02882	5.0
109.06605	2.0
109.10163	8.8
119.04942	2.3
119.08569	3.4
121.06508	2.8
122.08413	4.4
123.04465	4.6
127.03898	5.6
129.10254	2.5
133.10141	26.9
135.11678	12.5
137.05960	12.0
137.09601	6.0
142.03241	3.8
145.05005	10.4
147.04382	3.0
151.03922	5.6
151.11218	4.7
161.09636	7.1
161.10799	2.2
163.03902	1.8
175.07533	2.6
179.07085	4.8
179.10486	24.0
179.11862	12.0
191.03590	2.0
197.11678	100.0
198.12082	2.0
202.80934	1.9
219.02844	2.1
219.08244	2.0
258.04419	1.7
266.54413	2.5
290.06458	1.7
299.13126	1.7
313.06992	2.1
313.52014	1.8
320.98166	1.8
341.13724	2.5
359.12051	3.5
359.16461	14.7
360.05420	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.3
54.67234	1.2
55.01879	2.0
55.05506	1.2
56.96563	3.6
57.03439	1.9
62.46721	1.1
67.05501	2.0
68.07027	1.1
69.03439	6.4
69.07063	2.0
70.06596	7.1
71.54604	1.1
72.08161	8.1
73.02907	1.6
79.05515	2.0
81.03425	3.0
81.07050	3.1
84.04522	1.6
84.08143	5.3
85.02907	13.9
86.09709	13.3
91.05472	4.8
93.07059	2.7
95.04980	2.1
95.08572	2.4
97.02880	5.3
97.06536	1.5
98.97595	5.5
102.75465	1.1
103.05498	1.7
105.07045	4.9
107.08614	18.1
109.02856	1.6
109.06533	1.2
109.10169	3.0
111.08102	1.8
116.98643	1.7
117.03391	1.3
117.06998	1.4
119.04951	2.0
119.08607	3.2
120.08131	1.4
123.04451	3.2
123.08096	1.4
127.03898	3.4
129.10263	4.1
130.06566	2.1
132.10164	1.8
133.06497	1.2
133.10146	10.5
135.11708	4.8
137.06017	5.3
137.09619	3.0
139.03909	2.4
139.07602	1.2
143.11823	2.6
145.02843	1.4
145.04982	2.6
146.49435	1.1
147.04382	2.1
151.03909	2.6
151.11179	2.3
159.07928	1.2
161.05978	1.2
161.09645	3.6
163.07579	1.7
165.05589	1.2
171.11362	1.6
179.07054	1.1
179.10672	7.1
179.11993	1.6
189.12506	1.0
197.07944	2.4
197.11671	32.8
198.05756	1.2
198.11980	1.3
247.07466	1.1
248.53569	1.1
257.54111	1.7
266.54697	2.2
287.10992	1.8
301.12451	1.2
313.07211	2.2
341.06870	1.1
341.11090	1.5
341.21274	1.1
359.07834	2.4
359.12677	3.5
359.16757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47016	0.7
61.02905	0.6
66.25700	0.6
69.03423	0.8
69.37309	2.6
69.37727	2.3
70.06594	1.0
72.08188	1.3
84.08147	1.1
85.02896	2.8
86.09689	2.2
91.43813	0.6
96.14789	0.6
98.97577	1.2
117.03386	0.8
123.04432	0.9
129.10248	1.4
135.04430	1.9
137.05948	1.0
139.03926	1.6
145.02855	2.0
157.13397	0.7
163.03902	13.2
181.04976	6.0
197.11621	0.6
233.15422	0.6
301.12613	25.3
315.14191	2.2
359.16791	100.0
360.17056	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	359.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15440	0.4
53.03942	1.3
55.01879	1.0
55.05506	1.4
56.96558	0.5
67.05499	1.8
69.03423	0.7
69.07075	35.9
69.23614	4.4
71.05003	0.5
79.05486	1.7
79.86584	0.4
81.03420	0.6
81.07070	2.6
82.48506	0.5
83.04993	3.9
84.55482	0.6
84.85265	0.5
85.02906	3.8
91.05464	1.2
91.79312	0.4
93.07057	1.4
95.04957	1.2
95.08640	3.4
97.02904	1.0
97.10165	0.6
103.05421	0.6
105.07052	1.7
107.04967	100.0
107.08621	1.2
107.42927	0.4
109.10185	0.7
111.04482	0.8
119.08607	1.2
121.06541	1.4
121.10152	0.9
123.08063	1.1
125.02367	5.6
125.65369	0.5
131.08571	0.5
133.06509	0.7
133.10159	0.6
135.04410	1.7
137.02373	0.8
137.06000	1.0
139.03926	1.6
143.08533	0.5
145.06590	0.6
145.10107	0.6
147.04427	1.4
147.08054	0.8
147.11743	0.6
149.02391	3.5
149.09726	0.4
151.04034	0.5
151.07550	7.5
153.05496	6.0
155.08664	0.6
159.11662	0.8
163.49615	0.4
165.05486	1.0
165.09113	1.2
167.03427	19.6
169.01381	0.6
173.06038	0.8
175.11249	1.4
179.03410	1.7
189.09148	0.8
191.06984	1.0
191.21901	0.5
193.08635	8.6
207.10202	3.2
235.09679	10.7
253.10661	2.4
253.53220	0.5
255.06648	0.5
259.09708	4.1
273.07605	31.1
274.07993	0.8
291.08755	0.6
313.14441	1.8
323.25308	0.5
327.12076	0.7
341.13892	10.2
341.18002	0.6
357.36292	0.5
359.07837	0.8
359.14886	4.9
359.19727	0.6
382.99435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1489
Annotation	Negundin B
Peak:m/z	Relative Intensity
51.07846	0.9
53.03938	1.4
55.01875	2.8
55.05513	1.6
56.96560	3.5
57.03438	1.2
59.04993	1.5
61.02931	1.3
62.73931	1.0
64.32531	1.0
65.03922	2.1
67.05505	4.6
68.99802	4.0
69.03424	3.3
69.07059	3.1
70.78812	1.0
71.01347	1.0
71.05001	1.0
71.55112	1.2
73.02918	1.5
77.26376	0.9
79.05511	2.4
81.03429	6.4
81.07049	3.9
83.08607	1.2
85.02919	1.7
85.06536	1.3
91.05492	3.5
93.07045	3.7
94.59959	1.1
95.04977	3.5
95.08618	4.2
97.02899	2.3
98.97588	2.5
103.05479	2.4
105.07047	4.4
107.04982	8.7
107.08574	3.6
107.43317	1.2
109.02916	1.6
109.10156	2.6
111.04490	1.3
115.05495	1.4
117.07047	1.0
119.04919	2.1
119.08597	1.9
121.02892	2.1
121.06483	1.8
121.10194	1.2
123.04412	4.1
123.08009	1.2
127.03912	1.5
131.04958	4.4
131.08575	2.0
133.06522	6.1
133.10109	2.2
135.04410	2.3
137.02345	100.0
137.05945	2.4
138.02696	1.0
143.08510	2.1
145.06404	2.3
147.04422	3.7
147.11700	1.6
149.02264	1.3
149.06001	1.3
149.09669	1.5
151.03847	2.0
155.03401	6.4
157.06474	3.5
157.10207	1.5
159.04430	4.6
159.08060	1.7
161.05952	1.3
163.03900	13.2
165.01871	1.3
165.07019	2.0
167.03397	3.6
167.08603	4.1
169.06516	1.6
170.07254	1.7
171.04407	5.3
171.08063	4.3
173.06017	1.3
177.05496	1.9
179.03439	2.5
181.06474	3.1
183.08121	1.7
185.06062	3.8
185.09612	16.4
187.11243	2.2
192.97583	1.1
195.08067	15.0
197.06009	2.5
198.06793	4.2
199.07550	16.3
205.12288	1.1
209.05930	1.0
213.05719	1.1
213.09113	22.5
213.11002	1.7
223.07538	4.1
225.09023	1.4
226.06348	1.5
227.07068	15.7
231.10176	13.5
241.08623	2.5
243.08952	1.6
251.07028	9.4
255.09163	1.4
259.08157	1.3
267.09033	1.8
269.08096	19.5
271.08316	1.3
273.07693	1.3
280.91428	1.0
283.08801	1.0
285.10211	2.1
305.11819	2.9
323.12817	27.8
341.13855	55.6
359.07480	3.5
359.14777	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	359.149
Annotation	Brosimacutin B
Peak:m/z	Relative Intensity
52.16047	1.4
53.97975	1.1
56.96576	1.7
57.97582	1.0
65.03935	3.0
67.05513	5.5
69.03396	1.1
69.07069	2.9
71.28043	2.4
79.05497	3.4
81.03436	1.9
81.07062	2.1
85.02910	1.5
91.05482	5.1
93.03423	2.1
93.07036	2.1
97.02856	1.7
105.07016	2.4
107.04964	2.3
107.08578	1.6
109.10138	1.4
119.04960	5.4
119.08565	3.8
121.02889	2.6
129.07007	1.3
131.01311	4.9
133.54611	1.1
137.02324	9.1
137.56406	1.3
145.12965	1.2
147.04425	15.6
147.08038	12.5
149.02345	100.0
151.03908	1.7
157.85550	1.2
161.02354	9.1
161.05994	2.1
161.09615	1.5
167.03412	78.0
175.07475	1.8
177.05476	2.6
184.25230	1.1
185.06113	1.6
203.07040	26.3
221.08098	91.1
222.08469	1.4
239.09126	1.5
267.09091	1.7
269.08078	32.8
272.86215	1.2
281.08151	7.4
285.10257	2.0
299.82367	1.3
323.12778	50.6
341.13840	18.9
359.07648	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.149
Annotation	Saururin A
Peak:m/z	Relative Intensity
55.01870	2.5
55.05507	1.0
56.96555	1.5
59.04980	1.0
59.64742	0.7
59.95646	0.8
61.02916	1.2
67.05502	1.3
67.26868	0.9
68.99791	1.6
69.03426	2.0
69.33892	1.8
69.34295	5.8
73.02926	1.0
79.05528	1.3
81.03407	2.2
81.07072	1.8
91.05471	1.4
93.06982	0.9
95.61359	1.0
97.02889	1.7
98.21460	1.6
98.97618	1.2
99.76115	1.0
107.04961	2.3
121.00461	0.9
121.06559	1.0
127.25526	0.9
129.63367	0.9
131.08714	0.8
133.10071	1.0
137.02362	3.1
141.01840	5.1
146.58234	0.9
153.06764	0.8
165.01842	100.0
179.03513	1.1
183.02890	35.8
191.03418	2.4
215.25682	0.9
221.08119	2.1
285.07587	58.1
286.07968	1.4
322.24539	0.9
341.13760	6.5
359.07544	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	358.238
Annotation	Spiradine G
Peak:m/z	Relative Intensity
51.92597	1.5
53.03926	2.9
55.05501	5.5
56.96573	12.7
57.07057	2.1
61.02926	2.3
65.03936	4.8
65.92880	1.5
67.05514	25.2
68.99791	2.6
69.03425	3.8
69.07082	3.2
70.06597	34.1
71.04974	1.5
71.08624	6.8
71.15009	3.9
79.05500	15.1
81.03400	5.4
81.07059	14.5
83.04987	2.9
84.96037	4.5
85.02908	2.9
85.06566	1.7
91.03908	2.0
91.05497	12.1
93.03412	3.0
93.07049	20.5
95.04977	16.4
95.08618	15.0
97.02887	3.0
97.06546	2.8
98.97598	8.4
99.08084	5.6
100.10680	1.5
105.07024	5.7
107.04951	2.2
107.08582	9.2
109.02851	2.3
109.06518	2.5
109.10157	4.5
109.70014	1.4
110.06049	2.8
110.97556	5.3
111.04429	2.9
111.08129	1.8
112.07623	3.4
116.98650	4.6
117.07006	3.7
119.08553	3.5
121.02877	3.4
121.10158	7.8
123.04436	1.9
127.03922	4.1
128.98619	4.5
130.00766	1.5
130.93330	3.2
131.08575	5.3
133.10159	3.9
135.08099	2.8
135.11665	3.5
137.05994	2.6
138.05507	9.9
139.03947	3.4
143.00237	2.0
145.10147	3.4
146.99597	1.7
149.02356	11.5
149.03423	2.9
149.05934	1.8
154.08655	18.1
158.20776	1.6
158.99670	3.1
163.07498	4.6
167.99692	2.6
170.99692	2.1
177.00589	2.9
187.14818	4.7
190.01045	3.4
191.05919	7.1
191.07196	5.4
193.05020	8.8
197.01227	2.7
209.06964	3.2
229.07501	2.5
237.02858	1.7
237.07582	5.9
241.00244	4.6
241.07532	2.2
247.08540	1.6
267.09259	1.9
269.10599	3.6
270.10141	1.6
285.09976	1.8
317.08966	3.7
335.10132	14.2
341.20978	3.7
353.11267	2.2
358.23785	100.0
359.24057	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	358.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.8
55.05502	10.4
55.95326	2.2
56.05026	2.3
56.96561	3.1
57.03448	3.1
60.04534	54.8
67.05513	22.5
69.03461	3.6
69.07081	11.9
69.47169	15.7
70.02956	2.5
70.06609	3.4
79.05507	11.3
81.07066	46.2
83.04964	3.7
83.08620	5.4
84.04514	13.1
85.02906	3.7
85.06554	4.0
86.06097	2.2
86.09694	3.1
88.04011	31.1
91.05483	17.6
92.05823	2.4
93.07057	13.4
93.40522	2.2
95.04993	2.6
95.08599	14.6
96.04509	16.8
96.08150	2.5
97.06554	3.9
98.21470	3.8
98.97599	2.7
100.46080	2.3
102.00914	2.6
102.05551	13.8
105.07042	18.3
106.05039	30.3
107.04967	17.9
107.08575	8.0
108.04469	3.5
109.06504	4.2
109.10176	2.6
110.06041	2.7
113.32770	2.5
118.36736	2.1
119.08589	17.9
121.10183	11.2
123.08039	4.3
123.11689	9.7
124.03918	3.1
124.07578	2.3
130.04991	8.7
131.03398	4.0
133.10181	14.0
137.05980	9.0
138.06317	5.8
138.09151	5.0
142.03236	5.2
142.04974	2.7
143.03545	3.9
147.04439	6.9
147.11700	27.9
148.04883	4.2
148.06039	25.0
150.09212	4.1
151.03880	3.5
151.07567	2.7
158.02719	5.1
164.10603	2.4
165.01862	3.6
165.12782	13.2
166.70670	2.2
177.12764	2.6
185.07053	2.9
190.08658	4.2
192.07536	3.9
196.13426	5.5
206.15411	24.9
216.13763	4.4
234.14909	78.8
242.06572	3.2
252.15962	100.0
262.14444	13.0
270.16986	4.2
272.09296	3.8
280.15466	31.1
282.08667	5.8
294.17383	2.7
298.16510	56.6
311.19846	2.4
312.15851	6.4
322.23996	2.6
340.12210	2.9
340.17575	7.1
340.25009	2.5
358.13684	9.0
358.19107	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	358.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74195	2.0
50.92805	1.9
55.01874	2.0
55.05519	10.0
55.05745	1.9
55.33768	1.8
56.15353	1.9
56.17049	1.7
60.04226	3.1
60.04530	60.3
67.05504	18.5
69.07071	10.3
69.53073	10.7
69.53486	3.9
70.02944	3.1
71.04982	3.1
79.05489	14.6
81.07059	45.4
83.04982	4.6
83.08611	7.8
84.04518	10.5
85.06547	4.4
88.03992	42.5
91.05477	17.6
93.07037	9.8
94.15274	2.1
95.08598	8.6
96.04520	12.7
97.06519	3.7
102.05557	23.1
105.07043	21.9
106.05033	32.6
107.08593	6.2
109.06519	3.3
110.06102	3.7
119.08596	15.6
121.10150	14.6
123.08125	2.4
123.11726	18.0
124.07606	4.8
130.05023	10.6
131.03410	4.6
133.10138	8.9
135.11705	2.6
136.07605	2.7
137.13235	2.0
138.09146	4.2
142.05002	4.5
147.11711	34.9
148.06070	37.1
150.09154	3.6
152.17967	1.9
157.10085	2.4
164.10825	2.8
165.12766	12.9
171.11755	2.1
177.12773	4.4
178.15910	2.7
187.90335	2.1
193.12303	3.6
206.15396	45.1
229.14374	2.6
234.14920	63.3
241.07513	2.0
252.15961	100.0
253.15871	1.9
262.14377	11.6
269.12366	4.7
270.17108	3.3
280.15424	40.8
298.16519	63.9
298.19910	3.8
312.17908	2.4
322.16492	2.4
340.17551	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	358.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.7
56.96575	1.3
57.03426	0.6
60.04515	2.4
61.02939	0.5
68.05036	0.9
69.03419	1.5
70.06584	2.2
71.53571	0.9
81.03439	0.8
82.06604	0.6
83.06101	1.5
84.04505	1.1
84.08141	2.3
86.09747	0.6
88.03989	0.6
91.05512	0.5
95.06115	0.9
97.02895	2.3
98.97594	3.4
106.05021	3.4
107.06070	1.3
109.02835	0.6
109.07638	0.8
110.06017	0.7
110.07179	1.2
112.02192	3.0
116.98674	0.9
120.08080	0.8
126.03773	0.7
126.05560	0.8
127.03902	0.7
129.10281	0.6
132.08084	0.7
134.06021	0.6
136.06143	0.9
136.07574	0.8
137.07097	3.5
137.66058	0.5
138.05479	2.4
140.05341	0.6
141.06593	0.9
147.04420	3.5
147.06779	0.8
148.07613	1.4
150.09180	0.8
151.02185	0.7
151.03256	4.8
152.07091	1.6
153.06592	23.1
158.99713	0.8
160.07600	1.5
165.05348	1.0
165.06613	11.1
166.07368	0.5
167.08170	1.1
169.04343	0.7
177.05025	0.7
178.08717	3.0
179.06361	0.9
179.07938	0.6
181.06160	0.8
191.08157	2.1
192.08940	1.1
195.07690	0.8
196.09706	8.0
196.54645	1.0
197.03810	37.6
215.04790	1.0
223.05391	1.3
224.06064	0.7
225.06940	12.4
241.06464	9.2
268.07529	0.6
269.05911	14.8
269.08835	0.8
280.07547	2.5
298.08493	0.6
322.08322	1.0
340.09631	46.6
341.10135	1.0
358.10706	100.0
358.14783	6.9
359.10983	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.8
55.01861	3.1
55.05506	2.0
56.96554	2.5
57.03451	1.3
59.05000	2.0
60.04531	18.1
61.02936	0.9
65.03944	1.1
67.05514	5.5
69.03435	1.6
69.07063	4.2
69.61571	4.9
70.02960	18.6
71.05000	1.2
73.92023	0.8
79.05499	6.0
81.03429	2.1
81.07063	15.0
83.04969	2.0
83.08614	1.0
85.02902	2.8
85.06550	1.5
87.04473	1.1
87.05595	9.5
88.03997	16.1
91.05476	7.4
93.07053	4.4
95.04973	1.8
95.08606	6.1
97.02929	1.3
97.06554	2.2
97.10152	1.0
98.02415	0.9
98.97576	2.6
99.08139	1.0
102.05550	100.0
105.07030	9.5
107.04959	2.4
107.08565	3.8
108.52509	0.8
109.06519	2.4
109.10129	2.3
112.36900	0.7
113.02386	4.5
117.06989	1.4
119.04929	2.6
119.08581	6.8
121.06533	1.3
121.10171	5.1
122.03687	1.3
123.04369	0.9
123.08066	1.5
123.11705	5.1
125.09660	1.1
127.03963	1.1
127.07592	1.1
129.07066	0.9
130.04994	6.7
131.04950	0.9
131.08603	1.2
133.06451	0.8
133.10124	1.2
137.05974	11.7
139.11191	1.1
145.10175	1.6
147.04420	4.2
147.07648	24.3
147.11670	13.4
148.06110	1.0
149.02345	2.6
151.03906	2.5
153.01857	1.0
157.10118	1.3
161.02313	1.1
161.05995	2.7
163.00334	0.9
165.01848	46.5
165.12756	6.4
167.03442	1.7
167.07048	1.6
175.07590	1.1
177.05486	2.0
181.01247	5.9
182.15454	1.6
183.02950	6.5
190.15942	8.0
191.07060	2.6
193.12196	1.7
203.07138	1.6
205.06595	1.6
205.08527	0.9
210.14845	2.5
216.13733	0.9
219.06400	4.9
222.06818	1.2
226.06398	0.8
229.14375	2.0
234.14951	2.2
235.07495	1.2
239.07170	1.1
249.09135	0.9
251.06978	1.0
262.14377	7.7
263.07077	1.2
267.09039	1.2
269.12457	1.3
277.08664	1.2
279.06638	1.0
279.10071	1.0
279.17078	5.8
280.15451	11.2
281.08057	3.1
281.10883	1.0
283.06189	1.4
283.09476	1.2
285.07587	6.9
285.10236	1.7
287.05508	1.6
293.18689	0.9
294.17023	13.5
295.09738	1.1
297.07437	1.3
300.78528	0.9
307.09653	2.0
311.05521	5.2
311.08743	1.2
311.12610	1.3
311.19525	1.6
312.18079	2.6
321.11453	1.3
321.18045	3.9
322.16391	1.9
325.10614	2.8
327.12112	2.4
339.05014	1.4
339.08871	4.6
339.12180	5.9
339.19141	10.6
340.17401	4.8
342.82941	0.9
357.06232	6.2
357.13318	10.4
357.17722	1.0
357.19946	1.0
359.50439	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1699
Annotation	Juglanin A
Peak:m/z	Relative Intensity
53.03939	1.1
55.01876	0.8
56.96561	0.7
57.93615	0.6
67.05502	1.1
69.03428	0.7
69.40655	2.4
69.41069	2.0
72.58849	0.6
73.02922	0.7
79.05497	1.9
81.07058	0.6
84.68632	0.5
91.05475	1.1
95.04974	1.8
106.04179	0.8
107.04964	96.6
108.05308	0.7
117.93732	0.7
120.83837	0.6
121.06522	1.6
123.04410	0.8
134.03621	0.9
149.05968	1.8
152.04619	1.1
153.05460	1.4
162.03122	2.4
177.05482	15.0
179.07069	0.7
180.04193	3.1
180.25743	0.5
181.04912	0.8
195.06544	100.0
196.06810	1.1
197.04507	1.4
199.04932	1.4
207.06494	5.5
251.12715	0.9
267.09073	1.0
283.09641	1.2
285.10052	0.8
293.66513	0.6
301.10733	45.6
328.65967	0.5
357.16626	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1335
Annotation	Kenusanone J
Peak:m/z	Relative Intensity
50.53175	0.4
53.03930	0.5
55.01870	3.2
56.96560	1.2
59.05006	0.7
61.02927	0.5
67.05482	0.6
68.99778	2.1
69.03418	1.1
69.07050	1.5
71.54781	0.4
71.55196	0.5
79.01846	1.5
79.05498	0.8
81.03420	2.3
81.07046	0.7
83.01333	0.6
85.02890	0.7
91.05463	1.2
92.99769	1.0
97.02891	1.4
98.97509	0.5
99.00796	1.3
105.07025	0.5
109.02878	0.6
109.77962	0.5
118.01869	0.4
119.04924	0.9
121.06496	1.1
122.88468	0.5
123.00787	2.1
123.04411	1.9
137.02336	3.5
137.05963	1.8
141.01845	5.6
147.04443	1.2
153.01842	4.9
163.03941	0.8
165.01839	100.0
166.02223	1.2
167.03304	0.4
175.03983	0.8
179.03403	3.5
181.01324	1.1
183.02898	47.3
191.03386	2.3
199.02397	0.6
221.08125	1.9
224.96222	0.5
231.10207	0.7
267.09183	0.5
283.06033	3.1
301.07071	56.3
302.07303	1.0
339.12399	0.6
357.13266	7.7
357.20007	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1334
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
52.93760	0.3
53.03950	0.3
55.01876	0.8
58.01354	0.3
65.03941	0.8
66.04729	0.5
66.12171	0.3
67.05521	0.6
69.03445	0.5
69.49977	2.2
70.06594	0.3
71.01337	0.3
79.05494	1.1
81.03396	0.7
81.07072	1.1
84.08142	0.4
85.02913	0.3
86.09702	0.5
91.05493	1.3
93.07041	0.6
94.04198	2.9
95.04972	0.6
97.33392	0.4
98.97598	0.6
103.05517	0.4
107.04945	2.1
109.02881	0.5
109.06528	1.0
115.05461	1.3
117.07027	1.4
122.03654	7.8
123.04494	0.4
129.07014	0.7
131.04968	0.4
136.24210	0.4
137.05980	100.0
138.06345	1.1
141.05449	0.7
143.04932	7.1
145.06483	1.0
146.03662	0.4
151.03914	21.7
151.05029	2.0
157.06474	0.6
157.21002	0.3
161.06027	0.6
163.07565	0.4
167.07112	0.4
171.04446	0.4
175.07547	2.0
187.07487	0.5
187.47601	0.3
189.09047	0.6
191.07140	0.4
195.01083	0.6
195.06314	3.1
195.09912	2.9
203.07030	2.5
204.06532	0.5
205.08614	2.9
215.07036	0.5
246.06752	0.3
249.09050	0.3
261.09109	0.4
268.96432	0.3
279.10071	0.6
289.08667	0.4
307.09595	0.6
311.12894	0.5
317.89581	0.3
321.11139	1.0
327.12292	12.2
339.12271	1.0
357.13248	20.0
358.13596	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1334
Annotation	CHEBI:69092
Peak:m/z	Relative Intensity
51.02380	0.3
55.01884	0.6
55.05517	1.8
57.03448	0.5
57.07086	0.3
67.01868	3.0
68.99793	6.9
69.03428	1.0
69.07070	1.6
70.06604	1.5
71.04824	0.5
79.01858	2.8
83.01349	32.0
83.08617	0.5
88.07639	2.2
91.05476	0.5
91.90839	0.2
93.07029	0.5
95.01334	0.4
97.02907	1.2
102.09184	0.9
106.08676	0.9
107.01348	1.8
107.04960	2.0
119.05015	0.3
121.06517	6.9
125.02332	1.5
129.97707	0.2
135.00774	1.5
147.04407	1.0
153.01839	6.7
155.07092	0.3
163.00313	0.3
165.01778	0.3
169.01364	0.5
171.02879	0.9
179.03426	1.0
181.01332	100.0
182.01689	0.9
195.02878	0.8
199.02394	80.9
200.02792	0.8
207.02875	2.4
213.03755	0.3
222.04059	0.4
237.07643	3.9
245.45799	0.2
245.73164	0.2
259.06137	0.3
283.05829	0.3
289.07175	0.3
301.07083	72.7
302.07306	1.2
338.34265	0.6
339.34476	0.4
356.35233	8.1
357.13339	11.6
357.35596	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	357.1333
Annotation	Laurifolin (flavonoid)
Peak:m/z	Relative Intensity
55.01887	2.4
56.25562	0.5
56.96566	0.5
62.20225	0.4
62.55905	0.5
67.05494	1.3
68.98069	0.4
68.99789	2.0
69.03426	1.2
70.84240	0.4
73.02911	0.5
79.05463	0.5
81.03405	1.9
81.07054	1.5
91.05477	1.0
95.05012	0.6
97.02894	1.0
98.20722	1.0
99.00833	0.6
99.08099	1.0
105.06972	0.5
107.04959	1.4
109.02888	0.6
109.06513	1.8
119.04957	1.1
121.06499	2.0
123.00803	1.7
123.08073	0.9
127.07547	1.2
137.02330	3.4
141.01833	3.8
147.04404	2.5
153.01862	2.3
165.01840	100.0
166.02171	1.3
167.03476	0.5
175.11111	0.6
177.01816	1.4
177.05476	1.5
179.03412	1.2
183.02893	23.0
185.04755	0.5
191.03407	2.8
191.07068	1.0
193.12152	0.5
203.69875	0.5
219.06525	8.6
237.07593	19.4
267.09076	1.6
285.07565	46.3
286.08020	0.9
339.12241	3.0
357.13361	9.2
357.17630	1.0
357.24329	1.1
380.04688	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1334
Annotation	Laurifolin (flavonoid)
Peak:m/z	Relative Intensity
50.42765	0.5
53.03960	0.5
55.01885	2.5
55.05507	0.6
56.96550	0.7
57.03422	0.5
59.05006	0.6
61.02918	0.5
68.99792	1.3
69.03428	1.2
69.39955	1.8
69.40382	1.9
71.04978	0.8
79.01844	1.2
79.05511	0.6
81.03425	2.8
81.07059	1.7
85.02878	0.7
91.05482	0.8
92.99795	0.8
93.07015	0.5
93.54779	0.5
95.04985	0.8
97.02882	1.2
98.31679	0.4
99.00828	1.2
99.08090	1.1
107.04964	1.9
109.02876	0.6
109.06519	1.5
119.04923	0.9
121.06528	1.7
123.00792	1.7
127.07578	1.2
135.04434	0.7
137.02324	4.1
141.01833	4.3
147.04443	2.1
149.02338	0.8
153.01820	2.6
155.08768	0.6
165.01852	100.0
166.02228	1.0
174.04111	0.5
175.84988	0.5
177.01860	1.4
177.05519	1.3
179.03429	1.5
183.02910	27.6
191.03461	2.4
193.12297	1.0
195.06567	0.6
201.05356	0.5
219.06535	8.9
237.07599	21.6
238.08107	0.6
267.09082	2.1
269.12350	0.9
270.12665	0.5
285.07590	53.1
286.07788	0.7
325.30560	0.5
339.12137	2.7
352.61804	0.6
357.13373	11.1
357.17575	1.1
357.24316	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1335
Annotation	Laurifolin (flavonoid)
Peak:m/z	Relative Intensity
52.66786	0.5
53.03933	0.6
55.01868	1.5
55.05507	1.8
56.96555	2.1
59.05009	0.6
61.02916	1.7
65.03927	0.7
67.05499	1.5
68.99787	0.6
69.03414	1.3
69.07061	2.0
69.34546	0.4
71.04999	0.5
71.34416	0.6
73.02911	1.0
76.02230	0.9
79.05482	2.2
80.16171	0.5
81.03410	1.8
81.07056	2.9
85.02917	2.9
90.05567	0.9
91.03943	0.9
91.05467	4.5
93.07061	1.2
95.04959	1.7
95.08598	2.1
97.02885	1.5
97.10172	1.6
98.97588	1.3
102.04677	1.0
103.05476	1.1
105.03364	0.9
105.07037	2.5
107.04957	1.8
107.08599	1.5
109.02910	0.9
109.06504	0.6
109.10152	1.0
111.04432	1.1
115.05459	1.1
116.98783	0.5
117.07046	1.0
118.04179	1.0
119.04951	3.1
119.08563	1.1
121.02868	2.8
121.06496	0.8
121.10178	1.1
123.08091	1.3
123.11736	1.0
127.03893	0.7
129.06982	0.5
130.04158	1.8
130.05011	0.6
131.04919	1.7
131.08542	1.1
133.02876	1.4
133.06505	1.9
133.10156	0.7
134.03604	1.2
137.05997	7.2
143.04913	0.8
145.04980	0.5
145.06487	1.2
146.03636	8.8
147.04420	10.2
147.11702	0.6
149.02348	5.3
149.05925	1.3
151.03908	2.1
151.07579	0.7
153.39748	0.5
157.06523	0.5
158.02730	1.1
159.08073	1.1
161.02374	4.9
161.05997	11.6
162.06767	3.0
162.07928	0.5
163.00261	5.3
163.07451	0.6
165.01851	100.0
166.02176	1.3
167.03400	3.0
167.07068	1.4
175.07526	1.1
177.01819	2.2
177.05486	1.3
178.02603	1.4
179.03409	15.0
181.01308	11.1
181.02820	0.7
181.04941	1.0
183.02907	15.7
190.07782	0.6
191.07021	4.5
191.08595	0.7
193.06424	0.9
195.32018	0.5
201.05498	1.0
203.07184	0.8
205.06683	0.7
207.08174	0.6
215.06998	0.7
219.06464	7.2
221.06013	1.1
223.07562	1.2
225.09128	0.8
225.39049	0.5
226.06171	0.7
235.07597	0.8
236.08360	0.9
239.07088	1.6
247.07489	0.9
247.09717	1.4
251.07098	0.8
253.08594	2.3
263.07104	0.7
265.08566	0.8
266.09293	0.6
267.09003	2.5
267.16083	0.9
269.11804	0.6
279.06577	1.2
279.09705	0.7
281.08081	4.5
283.09711	0.8
285.07541	17.0
285.10208	1.6
293.08234	0.6
295.09705	0.9
297.11298	2.3
307.06085	8.6
307.09491	1.2
309.11295	0.6
311.09430	0.6
311.12894	1.5
313.10727	0.5
321.11340	0.9
325.10764	5.3
327.08472	1.4
327.12311	1.7
329.13745	1.0
333.61707	0.6
339.08640	12.0
339.12384	9.1
346.41653	0.5
357.05716	1.0
357.09634	5.3
357.13385	11.3
357.18494	0.9
360.05399	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1333
Annotation	Tomentosanol D
Peak:m/z	Relative Intensity
53.03945	1.4
55.01862	1.5
55.05503	2.7
56.96553	4.8
57.03422	1.7
59.26065	1.3
61.02916	4.2
67.05508	6.2
68.99792	3.2
69.03432	3.1
70.13213	5.7
71.04995	2.5
73.02916	3.2
75.61069	1.1
79.05482	5.4
81.03407	4.8
81.07060	12.5
83.04980	2.2
83.08616	2.1
85.02902	5.8
85.28729	1.1
90.23786	1.1
91.03944	2.2
91.05463	5.5
93.07038	4.6
93.68675	1.2
95.04987	1.8
95.08604	4.1
97.02901	4.8
98.97570	2.1
105.07018	4.2
107.05003	6.2
107.08587	3.1
109.06528	10.0
109.10126	2.0
117.07025	1.4
121.06517	2.6
121.10210	1.2
123.08104	3.5
123.11673	1.6
133.06454	1.3
137.02335	3.6
140.00102	1.3
145.06525	2.8
147.04401	6.0
147.11656	2.1
149.02371	3.5
151.07481	2.9
157.10237	1.2
159.04422	1.7
165.01855	16.7
167.03445	2.3
177.01843	12.7
177.05478	6.2
179.03406	2.1
183.02936	6.1
191.03456	2.2
191.07161	2.1
195.06534	2.3
201.05499	4.6
204.04207	1.4
219.06537	100.0
220.06839	2.3
237.07587	11.9
241.10973	1.9
243.08945	2.1
251.11368	2.7
252.08914	1.3
255.09042	2.1
257.06927	2.4
267.09195	6.5
269.09930	1.8
269.12286	8.5
276.02676	1.3
283.08661	2.8
285.07489	5.1
285.10281	6.7
287.11649	1.9
301.09677	1.7
315.25803	2.1
339.12134	12.9
357.13300	20.2
357.26678	5.0
364.48059	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1336
Annotation	Laurifolin (flavonoid)
Peak:m/z	Relative Intensity
50.73431	0.4
51.60722	0.4
55.01884	0.4
55.05511	1.3
56.96558	1.3
57.03421	0.6
59.04992	0.9
60.04535	3.0
61.02916	0.6
63.39101	0.4
66.92059	0.4
67.05501	2.2
68.99821	0.5
69.03432	1.8
69.07082	2.1
70.02968	3.3
70.06579	0.4
71.05008	0.8
71.25260	0.9
79.05493	1.5
80.93027	0.4
81.03411	1.5
81.07064	5.2
83.04954	0.5
83.08609	0.7
84.04523	0.6
85.02905	1.7
85.06544	0.8
87.05594	1.2
88.04009	2.6
91.05473	2.9
93.07047	1.8
95.01337	0.5
95.08611	2.6
97.02888	1.7
97.06552	0.6
97.10149	0.5
98.97601	1.1
102.05553	17.1
105.07026	2.8
107.04960	2.1
107.08579	1.6
109.02875	0.7
109.06519	0.7
109.10170	1.2
111.04433	0.5
111.12253	0.4
113.02370	1.0
115.05439	0.6
116.98640	0.5
117.07018	0.6
119.04936	3.1
119.08587	2.0
121.06503	0.8
121.10133	2.0
122.03680	0.5
123.04439	0.8
123.11720	1.6
125.09647	0.5
130.04994	0.8
131.08510	0.6
133.02811	0.5
133.06461	0.6
133.10159	0.9
133.21048	0.4
135.04436	0.5
135.08069	0.7
135.11710	0.8
137.06001	6.5
137.09627	0.8
143.04951	0.5
145.06519	0.5
145.10117	1.1
147.04433	8.0
147.07660	4.7
147.11676	2.8
149.02347	4.9
149.06021	0.8
151.03882	0.7
153.01900	0.6
161.02383	2.8
161.06015	0.8
163.00276	4.0
163.03912	0.9
163.07570	0.4
165.01852	100.0
165.12773	0.9
166.02185	1.5
167.03406	3.9
167.07047	1.1
175.07564	0.7
177.05472	1.8
179.03426	0.5
181.01343	13.1
183.02910	14.8
189.05476	0.5
190.15948	1.2
191.07057	6.8
191.08630	0.3
201.05502	1.3
203.07072	1.2
207.08105	0.5
210.14885	0.5
219.06514	9.3
232.85457	0.4
235.07481	0.4
262.14459	1.4
264.07468	0.6
265.05017	0.5
267.09164	0.8
270.65225	0.4
279.17148	0.8
280.15323	2.1
281.08124	6.8
285.07574	19.3
286.07855	0.5
287.05530	0.8
294.16922	2.4
297.07813	0.7
297.11218	0.8
307.09436	0.5
311.05542	2.8
311.09146	0.9
311.12650	2.6
311.18988	0.4
312.10135	0.4
321.11234	1.6
327.12167	1.1
339.08368	1.0
339.12305	12.9
339.19141	1.7
340.13086	0.4
340.17303	0.7
342.03860	0.5
357.06418	3.4
357.13391	11.4
379.42291	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1336
Annotation	Ocophyllal B
Peak:m/z	Relative Intensity
55.05512	1.2
56.96561	4.9
57.03436	2.7
57.68340	0.8
58.02523	0.8
59.05008	32.1
60.62156	0.7
61.02928	2.0
64.15385	0.8
64.85686	0.8
66.61282	0.7
67.05515	3.2
68.99787	1.3
69.03439	3.0
69.07093	2.2
71.38896	0.9
71.55495	0.9
73.02921	2.4
78.57407	0.9
79.05504	3.6
79.41216	0.9
81.03433	9.7
81.07067	4.3
83.08622	1.3
84.04532	1.0
84.96053	1.2
85.02915	4.0
85.06565	1.2
88.41196	0.9
91.03960	1.4
91.05485	5.0
93.07066	3.3
95.04950	1.4
95.08609	2.3
97.02909	2.0
97.06553	1.2
98.97596	2.3
105.07031	1.7
105.30820	0.8
107.04971	3.4
107.08627	2.3
109.02892	1.4
109.06544	1.7
109.10154	1.3
111.04440	1.0
115.05447	7.2
116.98621	1.0
117.03410	1.8
119.04964	3.0
119.08584	1.7
121.06541	0.9
121.10137	1.6
123.11732	1.0
125.06007	1.1
125.09691	0.9
127.03991	1.0
131.04909	2.0
133.10153	1.7
135.04398	1.7
135.11751	1.0
137.02353	72.2
137.05995	3.9
143.04938	14.0
145.06503	1.6
145.10095	1.5
147.04416	5.4
147.11758	1.1
149.02373	2.6
149.06018	2.2
151.03963	1.3
155.03416	3.1
161.02371	1.8
161.06004	3.2
163.03909	10.2
167.03444	3.5
167.07039	0.9
171.04430	46.5
175.04082	1.1
175.11198	1.5
177.05496	2.0
181.05206	0.9
183.08165	1.0
185.04950	1.0
189.05522	0.9
195.08109	1.2
201.05637	1.4
207.08089	1.2
211.07779	1.1
211.13326	1.3
219.06575	1.9
235.07552	2.9
239.06912	0.9
243.08920	1.6
263.07028	3.2
266.05743	3.7
267.09073	5.3
281.08115	100.0
282.08505	1.7
285.10086	5.8
287.10190	1.8
298.09244	1.0
309.11307	1.0
311.83054	0.9
321.11200	1.5
325.07166	1.4
339.12198	2.5
348.15097	1.7
357.09619	1.3
357.13483	10.5
357.17682	1.5
357.24533	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15384	0.5
67.92071	0.5
69.43945	0.6
69.73344	2.6
76.33411	0.6
79.05502	0.8
88.77668	0.6
95.08604	0.9
98.20840	0.9
114.09212	0.8
121.81114	0.6
128.22441	0.6
135.35722	0.6
137.06001	7.2
151.03891	2.4
170.98158	0.6
185.04216	8.1
195.06302	100.0
196.06622	1.2
236.06566	0.6
327.12274	0.6
357.11563	26.8
357.18472	1.0
360.00290	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.3
53.03946	3.5
54.43425	1.4
55.01864	10.7
55.05515	19.7
56.02198	3.5
56.96561	3.4
57.03427	4.8
57.07076	4.7
59.04988	3.1
61.02923	1.7
65.03930	2.6
67.05177	3.1
67.05514	42.0
68.99792	5.3
69.03419	3.9
69.07072	27.5
70.03761	1.9
70.04118	7.1
71.04986	1.6
71.08620	4.0
74.96563	1.7
79.01849	3.6
79.05490	15.6
80.02193	1.7
81.03414	4.6
81.07065	54.4
83.04977	4.2
83.08631	12.6
85.02883	2.0
85.06599	1.5
91.05463	9.8
92.99760	2.1
93.07047	15.3
95.04958	1.8
95.08616	47.9
97.02901	2.4
97.06523	4.7
97.10179	11.2
98.20823	2.7
99.00800	3.9
99.08049	1.7
103.05432	2.0
105.07045	8.7
107.08613	11.8
109.10161	24.8
111.08092	3.1
111.11668	2.3
116.98654	1.6
119.08620	9.1
121.06518	2.8
121.10146	15.0
123.11736	13.0
131.04929	2.0
133.06480	4.0
133.10156	11.0
134.06822	3.0
135.11726	8.9
137.02319	4.4
137.05998	2.8
137.09656	1.8
137.13310	4.1
138.02673	3.9
138.06393	2.2
139.02802	3.4
141.01816	8.6
142.02203	6.5
143.02252	4.1
147.11644	9.3
149.13309	8.0
151.14847	3.8
161.13307	9.0
163.14838	9.7
165.01852	100.0
165.16469	2.6
166.02185	75.8
167.02283	65.3
168.03773	10.8
169.03899	7.6
175.14821	5.4
179.17931	1.9
181.42879	1.5
183.02907	46.2
184.03239	39.2
185.03395	35.9
186.47548	1.8
189.12785	5.9
189.16417	3.9
190.13097	3.2
191.03401	3.4
191.13327	5.7
192.03789	3.7
193.03558	2.6
193.05020	6.6
194.05312	9.0
195.05510	8.4
195.08052	3.0
206.90643	1.8
213.09062	2.8
214.09460	4.0
215.09827	4.0
229.07481	11.6
245.22667	22.3
247.08601	4.2
248.09015	2.2
263.23709	24.3
299.09122	17.9
337.24185	1.9
337.27496	17.0
355.14569	36.4
355.18695	3.7
355.34280	2.5
356.35321	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	355.2843
Annotation	1-Linoleoyl-(2S)-glycerol
Peak:m/z	Relative Intensity
53.03925	4.1
55.01849	4.6
55.05519	32.3
57.03428	9.0
57.07061	16.5
64.84699	4.2
67.05507	63.5
69.07066	38.0
69.83052	8.0
69.83459	20.9
71.08616	5.2
77.78310	4.3
79.05491	30.2
81.07060	92.3
83.08632	33.1
91.05462	22.4
93.07065	32.6
95.08606	78.9
97.06545	6.3
97.10159	18.9
105.07026	11.8
107.08595	20.6
109.10159	40.3
111.11718	5.7
119.08599	17.2
121.10126	19.7
123.11695	18.7
127.03870	3.8
133.10130	20.1
135.11681	13.5
137.13220	10.6
147.11681	17.8
149.13249	12.2
151.14796	10.0
161.13237	11.9
163.14772	12.7
165.01848	30.6
167.03423	12.4
175.14816	7.9
179.17902	4.9
183.02901	11.6
203.07050	5.0
245.22675	39.7
263.23740	40.6
299.09161	18.6
337.27371	25.8
355.15112	5.0
355.24081	6.0
355.28275	100.0
368.88959	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	355.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	10.8
67.05512	25.5
69.07082	16.2
71.04972	2.8
71.54993	3.2
79.05493	8.4
81.07072	31.2
83.08617	7.5
83.19209	2.1
91.05482	5.3
93.07050	9.1
95.08613	28.7
97.06503	3.7
97.10161	7.6
105.07034	5.0
107.08602	10.6
109.10178	13.7
111.11716	4.2
119.08559	5.7
121.10178	15.8
123.11725	10.9
127.50214	2.6
131.08549	2.6
133.10121	9.0
135.11694	5.4
137.13269	2.7
147.11708	4.5
149.13298	7.8
161.13300	4.6
163.14803	4.8
165.01846	22.7
167.03442	6.9
183.02957	13.0
225.99876	2.3
245.22630	18.3
263.23734	23.9
299.06213	2.2
299.09067	14.0
337.14853	2.5
337.27350	10.6
355.15430	5.9
355.24448	4.7
355.28235	100.0
355.32675	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	355.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01869	1.5
55.05509	4.0
56.05011	1.0
57.03429	1.6
57.07083	1.1
59.04991	1.8
65.03925	0.9
67.01865	1.1
67.05512	8.6
69.03436	7.8
69.07075	3.6
70.06592	1.5
70.07767	2.5
71.01347	0.8
71.04974	1.0
73.02921	1.4
73.04739	0.7
79.05493	4.1
81.03420	3.1
81.07061	8.5
83.04992	10.4
83.08614	1.5
85.02924	5.2
85.06557	1.1
86.09705	1.0
91.05461	7.1
93.07047	5.5
95.01324	0.8
95.04977	6.9
95.08616	8.1
96.48569	0.7
97.02879	2.5
97.06515	0.8
98.06049	0.7
98.20888	0.9
98.97614	0.8
99.04469	2.3
99.08114	0.6
102.04656	1.2
103.03935	0.9
103.05463	2.0
105.03410	1.5
105.07027	5.0
107.04949	2.6
107.08607	5.8
109.02892	1.2
109.06518	4.2
109.10171	14.4
111.04487	1.2
111.08072	1.5
113.89361	0.7
115.05497	1.0
117.06997	2.0
119.04943	4.0
119.08582	5.9
121.02853	1.3
121.06537	3.0
121.10136	3.0
122.03624	0.7
123.04430	1.1
123.08077	1.7
123.11719	1.5
124.05202	0.7
125.06005	1.6
125.09616	1.1
127.03907	2.8
130.04109	1.3
131.04959	1.5
131.08560	2.4
132.05704	0.7
133.06474	1.5
133.10143	5.5
135.04413	2.1
135.08066	4.0
135.11665	3.0
137.05998	8.0
137.09624	21.7
141.06969	0.7
143.08521	1.0
145.04910	1.2
145.06502	1.0
145.10139	1.9
146.03598	0.6
147.04424	4.6
147.05466	0.7
147.07994	1.3
147.11662	1.3
149.06023	3.5
149.09605	1.1
150.06686	0.7
151.03973	0.8
151.07544	1.6
151.11169	0.9
153.01820	1.1
155.10689	2.2
157.10132	1.7
158.03702	0.8
159.08083	0.8
159.11699	1.5
161.05974	2.4
161.09621	1.4
162.06772	2.3
163.03905	2.7
163.07582	0.7
165.09138	1.1
165.16339	0.9
173.06015	2.6
173.09642	1.6
173.13269	1.4
175.03923	2.4
175.07515	0.7
175.11337	1.1
175.14838	5.0
176.01030	0.8
177.05525	1.0
177.09109	1.2
179.07111	1.2
179.10574	1.4
186.03149	1.9
187.07513	0.8
190.05251	0.8
191.03413	1.8
191.14311	1.5
193.04976	100.0
193.15892	8.7
194.05351	2.0
194.07185	0.7
201.01833	0.7
201.05466	17.1
201.07208	1.3
201.09129	2.4
203.07126	1.0
205.06557	1.3
206.07278	1.3
207.06494	0.8
213.05502	0.7
216.67175	0.7
217.12267	0.7
218.07155	1.1
219.02968	3.9
219.10231	0.8
221.05949	0.8
222.06677	0.8
231.06343	1.5
234.06699	3.3
235.07484	1.4
235.16933	1.1
237.09087	0.9
245.06050	0.7
245.11719	2.2
246.06839	0.7
249.09068	1.6
250.06256	0.8
262.06320	2.3
263.07022	1.6
265.08676	0.6
273.18597	0.6
277.08670	1.7
280.07632	0.8
281.08081	1.8
283.16672	1.0
285.00891	0.9
289.17935	1.0
290.05679	1.7
290.59943	0.6
291.06613	0.7
292.07382	1.4
292.35608	0.7
294.05188	5.2
294.08487	1.2
295.09744	1.0
297.07571	0.7
301.18008	2.2
305.08096	2.8
307.06049	1.1
307.09442	0.8
308.06793	1.8
309.07666	1.8
309.11401	0.7
319.05896	1.2
319.19022	1.8
322.08298	1.7
323.09213	5.2
325.10651	1.1
337.07068	10.1
337.10751	3.2
337.20038	2.4
355.08060	8.3
355.12164	1.6
355.17230	1.8
355.21249	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	355.1729
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
50.20530	0.3
55.05505	0.4
56.28789	0.3
60.83284	0.3
67.05513	0.3
69.07076	0.4
71.47410	0.3
72.79704	0.3
76.08862	0.3
79.05503	0.5
81.07054	1.0
84.70853	0.3
85.96350	0.3
91.05488	0.9
93.07029	0.4
94.04186	0.3
95.04998	0.4
95.08630	0.4
103.05448	0.4
105.07031	1.1
107.04992	0.5
109.06519	0.3
109.10175	0.3
115.05472	0.7
119.04932	0.6
121.02870	0.7
121.06522	0.3
122.03653	0.6
130.04146	0.3
132.05730	0.3
133.06488	0.7
133.10083	0.4
137.05991	7.6
147.04419	0.3
151.03915	0.4
153.05542	0.5
160.05199	0.4
161.06006	2.2
163.03915	0.3
165.05534	0.3
167.07074	1.0
169.06418	0.4
175.03893	0.4
175.07570	1.5
178.07780	0.6
186.03192	0.4
188.04752	0.5
189.05530	0.8
189.07034	0.8
191.03319	0.4
193.12045	0.9
201.05472	5.7
203.05283	2.3
203.07080	1.2
205.06474	0.8
206.07259	0.7
207.06516	0.9
207.08159	0.4
213.05525	0.8
217.06607	0.6
218.07442	0.5
219.02919	0.6
219.08116	0.3
220.05267	0.4
231.06563	1.4
233.05943	0.5
234.06827	2.8
235.07559	1.2
236.08188	0.3
245.05991	0.3
247.07637	0.4
249.05234	0.4
249.09158	0.9
251.07127	0.7
261.05426	0.5
262.06271	2.3
263.07047	1.4
264.07819	0.5
265.08429	0.5
266.09302	0.5
273.05392	0.8
274.06290	0.4
277.08591	3.5
279.06546	0.8
280.07364	0.5
281.07928	0.8
290.05753	1.8
293.08063	0.4
294.05295	1.2
294.08658	0.4
295.09647	1.0
298.08035	0.3
305.08142	4.4
306.08694	0.4
307.06003	0.7
308.06760	0.3
309.07874	0.5
309.11209	1.4
319.06070	0.3
322.08392	1.1
323.09177	1.6
325.10770	0.5
337.07013	2.5
337.10767	6.5
355.17288	100.0
356.17636	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1728
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
50.10100	0.4
54.86061	0.4
55.05510	0.5
65.24375	0.4
66.30086	0.4
67.13566	0.4
69.07077	0.5
70.06584	0.4
70.99559	1.1
73.04758	0.4
75.32986	0.4
79.05500	0.5
81.07044	0.6
85.02885	0.6
91.05464	0.5
95.08552	0.5
97.02918	0.4
101.41941	0.4
105.07048	0.5
117.07061	0.5
119.04954	0.5
121.02897	0.5
135.04401	0.6
137.05989	1.7
143.01834	0.6
145.02884	0.6
147.04410	0.4
163.03905	2.5
175.03918	0.5
191.03392	0.7
193.04980	1.1
201.03697	3.5
201.05531	3.0
203.05228	1.2
234.06754	0.6
277.08710	0.6
284.76245	0.4
285.00845	0.4
294.05295	1.1
305.08102	0.5
309.07657	1.1
337.07089	3.4
337.10748	0.8
338.07471	0.5
355.08359	3.3
355.17282	100.0
356.17413	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	355.173
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
51.86565	0.5
55.01863	0.8
55.05505	1.8
56.96552	0.8
66.64566	0.6
67.05498	0.8
69.03434	0.7
69.07079	0.9
70.94455	1.7
79.05507	0.8
80.89797	0.6
81.07039	2.3
82.42325	0.6
82.63998	0.5
84.81342	0.6
85.02899	1.3
85.06541	0.8
91.05460	1.3
93.07030	1.6
95.04979	1.3
95.08606	1.0
97.02872	0.8
97.10165	0.9
98.97595	1.1
103.05479	0.8
105.06994	1.8
107.04967	1.0
107.08599	1.3
109.06507	0.6
109.10177	0.8
111.08139	0.9
115.05444	0.8
119.04971	1.2
119.08579	1.3
121.10101	1.1
130.04115	0.7
133.10178	1.4
135.11740	0.7
137.05981	5.0
147.04462	1.3
147.08038	0.7
151.07594	0.6
159.11806	0.6
161.05971	1.0
161.09631	1.2
162.06670	0.9
163.03877	1.4
173.06027	0.9
175.14862	0.9
176.01082	0.7
191.03426	0.9
201.05469	6.3
203.05273	1.6
205.06493	1.0
219.08099	1.0
223.07394	0.6
228.96300	0.6
231.06313	0.6
234.06818	1.5
235.07721	0.8
245.06050	0.6
262.06381	1.3
263.07120	1.2
265.08569	0.7
271.11530	3.3
277.08429	1.1
279.06299	0.7
283.06143	0.9
287.29776	0.6
290.05725	1.1
294.05270	1.8
299.17102	0.6
301.10712	0.8
305.08087	2.3
308.07162	0.7
309.07568	0.9
323.09149	2.1
337.06964	2.9
337.10773	2.2
355.08469	4.6
355.12631	3.2
355.17285	100.0
356.17596	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1541
Annotation	CHEMBL556429
Peak:m/z	Relative Intensity
52.18442	0.5
52.77866	0.4
55.01872	1.0
57.07077	0.7
65.03941	1.0
69.85538	3.0
79.05485	0.7
81.07054	1.6
87.95165	0.6
91.05479	2.9
93.03405	0.7
95.01329	1.9
105.03365	1.0
105.07085	0.6
109.06495	2.0
110.50153	0.5
117.07017	0.6
118.04060	0.6
119.04982	0.8
119.08594	2.7
121.02825	1.2
121.06500	2.1
128.06247	1.0
129.07042	2.6
131.01274	1.9
131.59126	0.5
133.02853	2.5
133.06505	4.3
135.04382	0.6
144.05695	0.8
147.04428	0.7
147.08044	5.5
149.02354	27.2
151.03909	2.5
157.06511	1.0
160.05208	0.7
161.02376	12.2
161.05975	11.5
163.03894	2.9
165.01825	1.1
167.03418	16.7
175.03998	2.5
175.07581	2.4
185.06001	4.8
203.07043	100.0
204.07379	1.3
212.71925	0.6
221.08081	3.3
229.08548	0.8
243.65892	0.5
283.09683	3.2
299.05676	0.7
337.14355	29.6
338.14371	0.7
355.11499	0.7
355.15222	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1541
Annotation	CHEMBL556429
Peak:m/z	Relative Intensity
51.02383	0.2
53.00298	0.5
55.01867	0.6
56.96572	0.4
65.03606	0.3
65.03938	3.7
67.05508	1.5
71.09818	0.2
71.55126	0.3
79.05482	0.5
81.03402	0.3
81.07046	0.7
85.02905	0.3
85.06545	0.6
91.05462	1.3
93.03420	2.2
93.07034	0.5
95.01321	0.7
97.02939	0.3
99.08128	0.3
103.05442	0.4
104.13369	0.2
105.03400	0.3
105.07029	1.3
107.04965	1.1
107.08621	0.5
109.06508	0.7
115.05495	0.3
118.04162	0.3
119.04965	0.6
119.08566	0.8
121.02882	3.1
121.06522	0.6
123.00739	0.3
127.07545	0.3
129.07007	1.0
131.01286	5.1
131.08543	0.2
133.02861	0.9
133.06514	3.4
135.08060	3.0
137.02339	5.6
144.05701	0.4
146.07254	0.4
147.04414	0.7
147.08064	2.0
149.02344	100.0
150.02744	0.8
151.03915	1.0
157.06519	0.6
159.07991	0.2
161.02347	7.2
161.05977	10.3
161.09634	3.3
163.03896	1.5
165.01747	0.3
167.03403	75.5
168.03792	0.5
175.03935	1.0
175.07556	1.1
175.11192	0.4
177.09134	0.3
179.03435	0.4
183.08244	0.3
185.05948	2.3
188.04649	0.3
189.05479	2.2
201.05513	0.3
203.07036	36.3
204.07304	0.3
217.05075	0.4
221.08092	58.4
222.08466	0.8
235.05956	0.4
239.09160	0.7
283.09653	40.6
284.10071	0.6
295.09644	3.8
309.11240	0.7
337.14343	27.7
338.14810	0.6
355.15399	20.6
356.15808	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1544
Annotation	CHEMBL556429
Peak:m/z	Relative Intensity
55.01875	1.3
61.39425	0.8
65.03950	7.4
67.05490	1.5
69.07052	3.1
69.90187	4.7
75.43958	0.8
79.05495	2.4
81.07048	2.7
89.03920	2.5
91.05451	2.1
93.03414	7.3
93.07069	1.5
95.01346	1.6
95.04941	1.5
105.03345	1.0
105.07053	1.3
107.04941	1.6
107.08592	0.8
109.06535	2.0
111.04455	1.4
117.03410	5.9
119.04917	1.2
119.08578	2.2
121.02879	8.9
129.06990	2.8
129.37511	0.9
131.01260	0.9
133.02870	2.4
133.06477	3.3
137.02374	1.9
137.06003	1.8
145.01953	1.2
145.02893	13.5
147.04445	2.0
147.08087	5.1
149.02347	19.2
149.05959	2.3
151.03891	2.5
153.05444	1.3
157.06441	1.5
160.05229	0.8
161.02362	12.1
161.06003	10.6
163.03923	4.1
165.01849	2.2
167.03426	29.3
175.03934	3.7
175.07578	3.1
177.05472	16.0
183.08130	1.2
185.06027	6.0
186.37643	0.9
203.07056	100.0
204.07368	1.9
205.08603	6.0
220.06865	1.1
221.08086	0.8
227.06133	0.9
257.07916	0.8
281.08096	4.8
282.93915	1.0
287.08978	1.6
295.13196	1.1
299.09079	10.0
324.90732	0.9
337.10324	1.0
337.14377	29.2
355.15399	36.8
356.16116	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.154
Annotation	Licoagrochalcone C
Peak:m/z	Relative Intensity
53.03949	0.4
55.01875	4.2
56.96562	0.6
63.02378	0.4
65.03937	1.8
66.46387	0.4
67.05506	1.0
68.99797	1.7
69.03432	1.1
69.07057	0.4
69.19199	3.9
69.19614	1.1
70.06596	0.9
79.01850	1.1
79.05492	0.9
80.02638	0.6
81.03429	2.2
81.07050	1.0
91.05473	1.9
92.99775	0.7
93.03407	1.4
93.07098	0.6
95.04960	1.2
95.08556	0.6
97.02914	1.2
99.00776	0.9
105.07014	1.3
107.01332	3.0
107.04952	2.3
107.08566	0.5
108.02096	2.0
109.12778	0.5
112.07581	0.9
112.86964	0.5
117.06998	0.7
118.33718	0.5
119.04976	2.9
119.08533	0.6
121.02878	14.5
121.06523	6.2
123.00801	1.2
123.04422	1.1
131.04945	1.1
131.08527	0.6
133.06516	0.9
135.04417	0.8
135.08069	3.2
135.24060	0.4
136.01566	2.8
137.02356	5.2
141.01828	3.5
141.06998	1.4
145.06485	1.4
145.10193	0.5
147.04419	11.8
149.02338	3.6
151.03918	0.8
153.01892	0.5
157.06531	1.1
161.05981	1.0
163.03851	0.6
164.01056	11.7
165.01848	69.1
166.02209	0.6
167.03397	0.7
169.06459	1.0
173.06004	8.0
179.03406	90.3
180.03722	1.1
182.02107	22.4
183.02907	27.8
183.04356	1.1
191.03365	2.6
193.04962	1.5
193.61900	0.5
195.08069	1.1
197.04468	57.0
201.05435	1.2
203.40184	0.4
203.79836	0.5
213.05420	0.4
213.08998	0.8
221.08093	1.2
225.05380	0.8
229.04959	10.9
235.06090	3.9
235.09657	4.5
253.04930	0.5
253.39803	0.5
257.04626	0.6
257.08139	1.7
267.09058	1.2
271.06009	0.6
285.01053	0.6
285.10117	1.5
299.05515	100.0
299.09137	73.4
300.05930	2.9
300.09558	1.3
323.12878	2.6
355.11725	53.3
355.15530	17.1
356.12115	1.8
356.15967	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1543
Annotation	Bolucarpan C
Peak:m/z	Relative Intensity
50.72206	1.7
55.05507	4.5
57.03435	1.8
59.57293	1.9
67.05513	15.4
68.99781	2.8
69.07073	55.1
70.16354	7.2
79.05491	7.2
81.03398	6.5
81.07072	16.0
83.08620	4.2
93.07036	4.3
95.04952	3.7
95.08606	13.1
97.06499	2.1
97.10149	2.5
103.05467	2.8
105.07033	7.3
106.15462	1.6
107.04948	2.0
107.08627	4.9
108.54550	1.8
109.10153	6.0
111.04346	1.6
111.11705	2.8
115.05460	2.5
117.03362	4.0
119.08588	2.7
121.10121	4.8
123.04449	12.4
123.11720	5.1
131.04932	3.5
133.06476	6.1
133.10133	2.9
135.04433	3.8
135.11696	3.0
137.02353	98.7
137.06000	4.9
139.94795	1.9
145.02858	9.0
147.04401	3.8
147.11720	2.3
149.02336	2.9
149.05920	2.5
149.13234	2.9
159.04430	3.6
161.05977	11.1
163.03940	16.7
165.01808	3.2
165.07024	4.1
167.03419	29.8
169.06482	2.7
171.08138	2.1
173.05977	3.5
175.14893	3.0
177.05473	16.1
186.06804	2.6
187.07574	4.6
189.05548	14.1
189.09033	3.3
189.16455	1.8
193.08537	2.7
195.08081	5.5
197.06020	5.0
200.45934	2.0
201.09125	5.1
203.07137	10.6
203.10869	3.0
207.06522	11.3
210.06740	2.8
211.07584	4.8
213.05489	2.9
213.09239	2.1
214.06258	5.9
215.07010	13.8
215.10602	2.9
221.06039	5.0
229.08624	31.4
237.05624	2.3
239.07083	2.9
242.05836	2.2
243.06532	5.7
245.11658	11.8
245.22717	8.5
253.08647	5.1
255.10301	3.0
257.08151	20.9
263.23752	7.6
266.05786	9.2
267.06577	6.0
268.06900	2.3
269.08163	3.1
281.08115	30.5
287.09161	30.0
299.09192	100.0
299.12720	6.6
300.09409	2.5
337.14200	4.3
337.27463	5.3
355.12076	3.3
355.15384	72.4
355.22076	2.9
355.33878	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	355.1541
Annotation	5-Hydroxy-7-methoxy-4'-prenyloxyflavanone
Peak:m/z	Relative Intensity
58.81189	0.8
67.01862	3.7
68.99788	1.4
69.07072	9.2
69.53433	6.9
69.75037	0.8
91.05531	1.1
95.04996	1.0
103.05486	4.1
104.47417	0.9
106.83207	0.9
107.04977	1.6
111.04462	2.2
119.04925	1.9
119.08645	1.3
131.04939	7.9
133.06487	3.6
135.94383	1.1
145.06538	2.0
147.04428	5.4
147.08067	1.0
149.02342	4.7
151.03900	1.0
153.05476	1.3
157.06516	1.6
159.04428	10.0
161.02359	5.1
161.05989	4.7
165.01939	2.4
165.05515	1.0
165.07051	1.2
167.03412	100.0
168.03719	1.2
173.06018	10.2
175.07513	1.7
177.05490	2.6
179.03487	1.5
183.02898	1.0
185.04463	3.2
185.06059	3.2
189.12604	1.1
193.03270	0.9
193.04962	5.0
193.06499	1.3
197.06032	1.2
197.09631	1.3
203.07042	32.6
215.10698	6.4
221.05991	9.7
221.08138	2.5
238.06277	2.1
249.05482	2.2
253.08650	2.3
257.08160	1.3
260.26044	1.0
266.05756	2.5
267.06458	6.9
275.16263	1.0
278.11716	0.9
281.08084	27.6
283.09680	1.6
283.57861	1.0
287.09186	1.6
299.09174	12.1
337.14365	10.1
355.15448	23.3
355.34143	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.154
Annotation	Xanthohumol
Peak:m/z	Relative Intensity
51.25337	0.3
53.03943	0.3
55.01879	2.3
68.99790	1.6
69.03413	0.8
69.25307	1.3
69.25726	1.3
79.01866	1.5
81.03405	1.5
91.88084	0.3
92.99763	0.8
95.62880	0.3
97.02885	1.1
99.00812	1.0
105.07013	0.3
109.02882	0.6
121.06519	2.8
123.00786	2.1
135.08063	4.7
137.02350	2.5
141.01836	4.2
161.06099	0.3
165.01842	100.0
166.02171	0.9
183.02895	26.2
191.03413	3.4
221.08069	1.6
275.41367	0.3
299.09152	43.0
300.09485	0.9
310.41803	0.3
335.39209	0.3
355.15436	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	355.1543
Annotation	CHEMBL556429
Peak:m/z	Relative Intensity
53.03922	0.7
55.01866	1.0
64.05109	0.5
65.03939	2.6
67.05507	1.0
69.03430	0.7
69.07055	0.7
70.93863	1.5
73.04751	0.6
79.05499	1.9
81.03407	0.9
81.07059	1.4
83.04970	0.7
88.07601	0.9
91.05480	1.8
93.03416	1.5
93.07050	0.9
95.01380	0.8
95.05004	0.8
95.08600	0.9
103.05481	1.0
105.07034	1.6
107.04967	1.2
109.06533	1.1
111.04454	0.6
118.04182	1.8
119.08571	0.8
120.87334	0.6
121.02877	1.6
121.06525	9.2
129.07014	0.7
131.01260	2.0
133.02888	1.4
133.06505	13.5
135.04417	0.9
136.99330	0.6
137.02382	3.6
137.05978	1.0
145.06528	0.9
147.08078	2.6
149.02353	41.4
151.03909	1.4
157.06439	0.9
161.02362	8.6
161.05991	39.7
161.09610	2.2
163.03917	6.3
165.01933	0.6
165.71481	0.6
167.03421	30.8
175.03944	1.3
175.07568	2.3
179.03429	1.9
179.06784	0.6
183.08072	3.5
185.05975	1.5
194.07339	0.9
203.07050	37.4
209.09584	1.1
211.07545	8.9
221.08104	14.3
222.06871	0.7
235.06009	4.3
237.09096	1.3
253.06995	1.5
265.08655	4.1
269.13525	0.6
277.08652	0.9
281.08151	0.8
283.09607	7.8
295.09824	1.2
299.05640	1.0
299.08990	1.4
319.13232	1.5
337.14334	4.4
354.33652	0.7
355.15424	100.0
355.33859	2.9
356.15811	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	355.1542
Annotation	Xanthohumol
Peak:m/z	Relative Intensity
54.32955	0.7
55.01870	1.8
55.05521	0.7
55.85165	0.7
68.99796	1.1
69.07082	1.2
71.25375	1.3
79.01871	1.0
81.03423	1.3
92.99771	1.0
95.08652	0.7
97.52601	0.7
98.20738	0.8
99.00842	0.8
101.64891	0.7
105.07026	0.8
117.10635	0.7
120.88386	0.7
121.06498	2.5
123.00877	1.8
135.08072	5.4
137.02347	2.3
141.01862	5.5
143.79402	0.8
149.02309	0.6
153.01749	0.8
165.01851	100.0
166.02161	1.0
167.03487	3.2
171.60379	0.7
183.02911	33.1
187.36414	0.7
191.03531	3.3
235.05971	0.7
259.10315	0.8
299.09177	66.5
300.09525	2.1
337.13782	1.4
355.15436	5.0
356.35379	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1542
Annotation	Bolucarpan C
Peak:m/z	Relative Intensity
52.03154	0.4
55.01876	0.4
57.24251	0.4
59.04995	0.6
65.03938	1.5
67.05509	3.4
69.07071	3.1
69.87432	1.8
80.02639	2.6
81.03442	0.4
82.07389	0.4
85.07018	0.3
91.05472	1.5
95.04976	26.5
103.07549	0.6
104.07941	0.4
108.02100	3.3
119.04953	2.4
120.08764	0.4
121.02836	0.4
123.04440	18.0
147.04434	4.7
151.03908	7.9
152.01053	1.3
167.03413	2.7
179.03391	8.2
179.04907	0.6
185.00880	0.4
197.04468	100.0
198.04782	1.4
230.26332	0.4
235.09654	2.3
278.47690	0.5
287.09174	2.3
299.09161	39.7
300.09515	0.8
337.14282	0.7
355.15417	12.9
355.24487	0.6
379.78683	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
55.05498	0.7
65.03957	1.3
67.05506	2.6
69.03434	1.1
69.45367	2.5
69.45797	2.9
69.84437	0.7
73.04749	2.3
74.13063	0.7
81.03436	1.0
82.06590	6.1
91.05430	0.8
98.06071	1.5
110.06049	17.3
115.51623	0.6
122.06019	1.0
124.07593	0.7
126.05526	7.0
128.07063	2.2
135.04448	1.1
136.07590	56.7
138.05507	2.0
140.07094	0.8
152.07083	2.4
163.03970	5.5
164.07083	100.0
165.07449	0.9
182.08145	79.6
183.08478	1.4
192.20064	0.7
193.05035	1.5
198.09210	0.9
204.07634	0.9
214.08731	1.0
215.21519	0.6
221.05669	3.4
230.08116	1.0
256.09729	1.6
259.10767	1.7
268.97845	0.9
285.01007	1.2
301.11862	1.0
302.10208	2.3
319.12878	5.7
320.11462	1.9
337.10364	2.3
337.13773	1.4
338.13461	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1541
Annotation	Xanthohumol
Peak:m/z	Relative Intensity
51.02367	0.2
55.01628	0.2
55.01872	2.7
56.96566	0.2
59.04982	0.6
60.73854	0.1
65.03927	0.2
67.05519	0.3
68.99789	1.5
69.03417	0.6
69.07043	0.2
70.22588	0.4
70.22974	0.3
70.32554	0.2
73.35975	0.1
74.31002	0.2
79.01857	1.1
79.05490	0.4
81.03425	1.5
81.07045	0.2
84.52201	0.2
92.49838	0.2
92.99758	1.0
95.08611	0.2
97.02923	1.0
97.03442	0.2
98.20802	0.2
99.00813	1.1
105.07021	0.5
109.02882	0.4
121.06518	4.3
123.00802	1.7
133.06471	0.7
135.04396	0.3
135.08057	5.0
137.02341	2.8
140.41017	0.2
141.01831	4.8
154.62210	0.2
161.06010	1.9
163.03963	0.4
165.01840	100.0
166.02229	1.0
167.03378	0.5
183.02898	30.9
184.03195	0.3
191.03407	3.3
197.04381	0.3
202.93761	0.2
204.83043	0.2
221.08064	2.1
227.06978	0.2
251.40605	0.2
257.08133	0.6
267.41461	0.2
281.08191	0.5
299.09149	38.7
300.09482	0.9
355.15417	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	355.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	1.0
56.96548	1.0
65.03920	0.9
67.05476	2.9
69.03403	1.1
70.06563	0.9
71.53586	1.1
71.53947	1.3
73.02920	0.9
73.04752	4.2
79.05462	1.6
82.06588	6.4
85.02877	0.9
86.10441	0.8
89.03924	8.6
91.05856	5.4
93.06994	1.1
95.04959	0.9
97.02885	1.2
98.06007	1.1
98.97562	1.3
101.02351	1.8
107.04913	2.3
108.08165	1.0
110.05302	1.2
110.06046	17.4
112.09616	0.7
113.02378	1.0
117.03398	9.1
121.02859	0.9
122.06032	1.6
123.04356	0.8
126.05522	7.7
128.07051	2.0
135.04425	19.4
136.07590	57.0
137.06004	1.5
138.05476	2.1
139.03918	5.1
140.07043	1.7
144.78612	0.8
145.02856	13.6
147.04355	1.5
152.07030	2.8
163.03920	86.6
164.07079	100.0
165.07495	1.1
168.06699	1.0
182.08142	76.0
183.08496	1.2
185.04262	1.1
192.03955	3.9
193.04897	6.0
219.01855	0.9
219.81393	0.8
231.02661	0.8
237.02956	1.0
256.09888	1.3
259.10843	1.5
268.97897	1.8
285.01120	3.6
301.12100	0.9
302.10452	1.6
319.13046	2.6
320.11615	1.3
324.08420	1.7
355.06787	3.0
355.10217	25.5
355.13989	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	8.4
55.05492	2.6
57.03433	6.2
57.07083	13.8
61.02919	4.8
65.03928	1.7
67.05505	14.8
68.99802	2.4
69.03439	9.3
69.07066	2.8
69.54075	6.0
69.54504	5.4
71.00108	1.6
73.02892	2.7
79.05489	6.2
81.03416	4.2
81.07051	11.0
84.49724	1.5
85.02902	14.6
85.06553	29.5
86.09716	2.4
91.05448	8.4
93.07037	7.3
95.04975	3.5
95.08618	3.8
97.02883	4.5
97.34250	1.5
103.03928	3.7
105.03443	1.8
105.07017	7.7
107.04967	5.0
107.08591	2.6
109.02895	11.5
109.06538	8.6
109.10153	2.7
115.05467	2.8
117.06992	3.0
119.04932	3.4
119.08556	5.6
121.02819	2.5
121.06510	3.9
121.10118	4.1
122.03623	4.1
123.04410	5.4
123.08048	3.5
123.11670	1.7
127.03899	4.1
127.07574	5.4
129.06998	3.9
131.08554	4.0
133.02850	2.4
133.06494	4.3
133.10133	4.5
135.04430	5.3
135.08055	4.7
135.11746	1.9
137.05980	24.0
139.03889	2.9
143.08598	2.4
145.02840	3.1
145.06425	2.7
147.04434	15.0
147.08051	5.3
149.05934	4.2
151.03893	8.4
151.07564	4.5
153.05478	3.3
157.10100	2.0
158.03659	2.0
159.08113	3.5
159.11739	1.9
160.05231	1.7
161.06007	12.4
161.09593	5.4
163.03923	15.3
163.07549	7.2
165.01793	2.9
165.05508	3.2
165.06920	2.1
167.07019	2.7
169.06464	2.8
171.07976	3.5
173.05963	7.2
175.03911	5.3
175.07524	10.5
177.05479	7.2
177.09085	5.0
179.03410	2.2
179.07008	3.2
179.08516	2.1
185.09589	1.9
186.03146	2.9
187.03943	1.9
187.07539	7.3
189.05431	5.6
189.07138	2.5
189.09102	14.4
191.03418	3.2
191.07021	3.8
192.04173	3.6
192.07797	2.6
193.04955	6.8
193.08592	4.8
199.07552	2.7
201.05476	32.5
201.09045	2.7
203.03358	1.9
203.06992	6.3
203.10742	5.5
205.06604	4.2
205.08589	31.3
206.07239	2.3
211.07739	3.2
211.09613	17.6
213.05463	5.2
213.09053	5.7
214.06279	2.5
215.07043	2.9
215.10812	2.0
217.04910	2.8
217.08626	13.0
219.06444	3.3
223.09647	43.3
227.07059	2.2
229.08601	12.4
231.06442	2.9
231.10199	16.2
233.06071	3.5
234.06741	8.9
235.07585	3.3
235.09615	24.1
241.08563	4.5
243.10194	7.2
245.06067	1.8
247.09741	7.8
249.09074	2.1
249.11298	3.8
251.07101	3.1
255.10097	3.5
257.08090	2.0
259.09656	21.8
262.06152	7.8
263.06750	3.5
264.07855	1.8
271.09662	29.8
273.05377	2.4
273.11243	3.3
277.10776	100.0
278.11157	2.4
279.06613	3.2
280.07236	2.8
283.06711	2.7
283.09656	16.1
289.07541	3.0
289.10736	59.8
290.05713	9.8
294.08743	2.2
295.09662	4.5
299.09180	1.6
301.10696	38.4
305.08136	15.5
307.05890	2.4
307.11664	7.3
308.06781	1.8
309.10968	2.0
319.11963	21.3
323.09204	4.6
325.10736	5.6
337.10544	11.8
337.13000	13.5
355.07816	3.7
355.12000	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	355.118
Annotation	Platanetin
Peak:m/z	Relative Intensity
55.01876	1.9
58.88205	0.3
65.03979	0.5
70.71987	0.6
73.91705	0.3
79.01881	0.6
87.93292	0.3
91.05503	0.4
93.03436	0.6
93.87981	0.3
97.02911	0.3
107.01324	2.6
107.05025	0.5
108.02144	0.6
119.05023	0.4
121.02879	12.9
121.06544	0.4
123.00857	0.4
133.02985	0.4
133.06500	0.3
135.08043	0.4
136.01598	0.4
137.02432	0.6
141.01900	1.2
141.07074	0.4
145.06496	0.8
147.04431	2.1
149.02373	1.0
157.06532	0.4
161.06033	0.4
164.01070	2.9
165.01851	10.1
169.06554	0.9
171.04503	0.6
173.06013	8.0
176.43163	0.3
179.03415	17.9
182.02110	2.6
183.02943	2.5
183.04369	0.5
197.04466	5.9
197.05956	0.5
201.05495	1.7
225.05350	0.3
229.04988	8.7
235.06155	0.3
235.09727	0.6
242.14386	0.3
243.06580	0.5
247.13867	0.3
253.05107	0.7
257.62024	0.3
271.05930	0.7
299.05557	100.0
299.09018	8.8
300.05936	2.0
343.26053	0.4
355.11777	53.0
355.15381	2.6
356.12143	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01870	3.8
55.05507	2.4
55.43800	1.1
55.82603	1.1
57.03429	3.0
57.07066	3.1
61.02933	1.4
65.03947	1.2
67.05512	4.3
68.99807	1.4
69.03435	6.9
69.07075	2.2
71.55771	1.9
73.04765	2.5
79.05500	2.8
81.03434	3.2
81.07050	4.5
85.02914	2.5
85.06554	6.9
90.89300	1.2
91.05455	7.9
93.07048	3.4
94.04206	2.6
95.08626	1.7
102.04696	2.1
103.03972	1.4
103.05462	1.9
105.07036	8.3
107.04937	1.6
107.08620	2.0
109.02889	3.1
109.06556	2.8
109.10184	2.3
115.05465	5.2
117.07018	2.6
119.04939	6.9
119.08591	2.6
121.10223	1.7
122.03664	3.3
123.04430	1.9
124.05202	1.5
127.03925	3.5
129.07050	2.4
130.04153	2.5
131.04915	3.3
131.08588	1.8
133.06496	4.8
135.04393	3.2
135.08075	2.4
137.05991	51.0
139.03923	2.2
143.04907	2.5
145.06459	2.7
147.04446	9.7
147.11650	1.6
149.06055	2.7
150.06770	1.5
151.03941	4.7
153.05521	1.9
157.06549	2.3
158.03667	3.6
159.08038	2.2
160.05252	2.1
161.06013	13.0
162.06842	1.4
163.03920	6.8
163.07611	2.9
163.11276	1.7
165.01912	1.7
165.07002	2.7
171.04424	2.1
172.08461	1.2
173.06050	7.9
175.03877	8.1
175.07556	3.8
177.05490	1.9
177.09181	2.3
180.07748	1.5
182.07224	1.5
185.06007	2.2
186.03136	5.2
187.07559	2.7
188.04709	2.8
189.05446	5.2
189.07036	3.9
189.09093	3.9
193.04993	2.0
193.08490	1.3
194.07307	1.4
195.08026	2.1
199.03935	2.6
201.05484	61.9
203.05318	4.8
203.07071	8.1
203.10669	2.3
204.99495	1.3
205.06529	7.7
205.08655	10.2
206.07327	5.6
207.06586	3.4
207.08250	1.8
211.09631	2.6
213.05533	4.2
214.06296	1.5
217.06642	2.7
217.08620	4.4
218.07280	3.4
220.05275	3.1
221.05995	2.1
222.06688	2.0
223.07567	2.1
223.09541	12.8
227.07092	1.9
229.08670	2.5
231.06506	8.5
231.10239	5.3
233.06030	5.2
234.06778	16.2
235.07582	4.8
235.09723	8.8
237.05487	2.0
237.09163	2.9
245.06006	4.3
247.07509	1.8
247.09747	2.6
249.05504	2.6
249.09151	8.8
250.06291	3.8
251.07004	4.7
255.10083	1.6
259.09769	7.8
261.05658	1.6
262.06271	12.9
263.07028	3.5
263.09433	2.0
265.08643	5.9
266.09555	1.6
271.09778	7.1
273.05447	4.9
273.11176	2.3
274.06442	1.9
276.07935	1.5
277.08539	14.6
277.10812	23.6
279.06577	5.7
279.10220	1.7
280.07370	2.3
283.09793	5.3
289.05145	1.4
289.10724	16.3
290.05823	12.8
291.06430	2.1
291.10297	1.4
292.07309	3.2
293.08118	4.0
294.08942	3.5
295.09549	3.9
301.10764	11.5
305.08163	29.6
307.06326	2.1
307.09589	3.5
308.06946	1.6
309.11133	7.2
319.12018	3.3
322.08420	5.4
323.09286	6.8
325.10712	5.9
337.07022	1.8
337.10468	33.0
355.12036	9.5
355.17328	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.118
Annotation	(+)-EI 1507-1
Peak:m/z	Relative Intensity
53.03940	2.5
55.01876	3.4
55.05508	4.9
56.96550	1.6
57.03417	1.2
58.96692	1.3
59.94772	1.1
67.05505	2.8
68.94811	1.1
69.03425	4.4
69.07068	6.6
71.04989	1.5
71.55190	1.8
73.02912	1.5
73.04751	1.8
79.05493	4.8
81.03439	1.6
81.07047	5.0
83.08606	1.9
85.02906	2.7
91.05437	6.3
93.07043	4.4
94.04186	3.5
95.04984	3.8
95.08604	4.7
97.02924	1.7
97.06543	2.3
97.10169	3.4
98.97591	2.6
100.07635	2.2
100.11292	1.5
102.04697	1.3
103.05481	1.9
105.03396	5.6
105.07049	7.5
107.04957	3.7
107.08601	3.2
109.02860	1.3
109.06491	3.2
109.10154	3.0
111.04454	2.5
115.05479	4.8
116.98624	2.3
117.07036	2.3
119.04906	3.0
119.08561	2.8
121.10159	2.7
122.03680	8.6
123.04414	1.7
124.05199	1.8
125.06007	1.9
125.09663	1.4
128.06238	1.6
128.07106	2.1
130.04169	3.1
131.04962	2.3
131.08548	1.3
133.06465	2.3
133.10051	2.2
135.04430	3.7
137.05992	90.3
145.02866	1.8
145.06482	5.7
146.03635	1.6
147.04398	5.0
149.05995	1.6
151.03917	10.9
157.10149	1.7
158.03662	6.2
160.05269	1.4
161.06003	11.3
162.06772	1.9
163.03937	10.6
167.07040	3.1
173.06020	11.9
175.03911	4.4
175.07584	3.2
177.05550	1.3
177.07018	2.7
178.07724	7.1
179.07056	1.8
182.15446	3.9
185.05972	3.3
186.03209	6.9
189.05496	1.9
189.07030	6.2
193.06526	1.8
194.07217	2.5
195.08115	2.1
199.04025	1.8
201.05487	100.0
202.07739	1.8
203.07001	2.8
205.06508	13.6
206.07285	12.3
207.06444	2.1
207.08104	3.6
209.05942	1.7
210.14876	4.8
213.05414	8.1
216.05882	1.3
217.06549	4.4
218.07281	3.7
219.07927	2.8
220.05186	4.6
221.05975	4.1
221.09483	1.8
222.06801	4.7
223.07516	4.1
231.06503	4.9
233.06047	8.9
234.06770	34.6
235.07513	10.0
236.08293	1.6
237.05408	2.9
237.09068	4.5
244.05309	2.3
245.05969	7.7
246.06787	3.8
247.07484	3.7
248.04579	1.2
248.08278	2.3
249.05437	2.2
249.09148	10.1
250.06259	5.6
250.09799	1.4
251.07037	8.4
252.07635	1.4
259.07486	2.4
261.05472	6.1
262.03641	2.7
262.06274	33.8
263.07059	10.6
264.07849	2.9
265.08655	8.9
266.09406	2.0
267.10239	1.5
273.05420	9.1
274.06247	4.6
275.07144	2.2
276.07962	3.5
277.08624	31.8
278.05890	2.4
278.09225	1.3
279.06519	7.9
280.07431	2.9
281.08099	2.1
281.63776	1.4
285.00925	1.9
287.07095	4.6
289.04855	1.9
290.05765	44.1
291.06454	2.3
291.09988	2.5
292.07236	5.1
293.08081	8.5
294.05307	1.6
294.08862	5.5
295.09610	9.8
304.07205	4.1
305.08112	80.2
306.08875	1.4
307.05972	5.5
307.09644	9.0
308.06821	1.8
309.11191	9.3
319.09674	9.5
322.08508	7.5
322.11740	1.5
323.09235	7.0
325.10712	13.0
327.12253	1.8
328.61203	1.6
337.10727	82.5
337.21341	5.1
338.10904	2.1
355.07596	2.7
355.11661	16.9
355.15567	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1026
Annotation	Scopolin
Peak:m/z	Relative Intensity
55.01872	0.9
61.02897	0.5
69.03434	0.9
70.06589	0.8
70.88208	0.7
70.88562	0.8
73.04753	0.5
77.03909	0.5
79.01860	0.8
81.03418	1.1
85.02896	1.8
86.09692	0.9
93.03388	0.4
95.04939	0.6
97.02885	0.8
105.03392	1.4
107.04961	0.9
109.02847	0.9
109.06517	0.6
119.04964	0.4
120.28482	0.4
121.02859	1.6
122.03696	0.7
122.06047	0.5
123.04395	0.6
129.07048	0.5
131.04903	0.5
133.01823	0.8
133.02863	16.4
135.04393	1.6
137.05988	4.7
143.04880	0.5
145.02852	0.8
147.04408	1.4
149.05960	1.7
150.03096	0.6
151.03931	0.9
161.05998	1.0
163.03888	2.2
165.05519	2.4
167.03384	0.4
171.04466	0.9
173.02437	0.4
175.03868	1.5
175.07481	0.6
177.05492	1.6
178.02632	11.4
178.06206	0.9
181.04974	1.4
185.06053	0.9
187.03918	0.9
189.05492	1.3
191.03416	0.9
193.04974	100.0
194.05305	1.1
201.05441	0.9
203.07021	0.6
205.04974	14.6
206.05750	5.8
207.06549	0.8
211.05994	0.9
213.05435	1.4
217.05011	4.8
219.02980	0.9
219.06564	3.0
221.04440	1.6
223.06076	4.8
229.04915	1.1
230.05777	0.7
231.06532	2.6
233.04475	1.2
235.06020	17.3
241.04935	0.7
243.02814	0.5
245.08134	3.6
246.16319	0.4
247.06006	1.5
249.07568	0.8
255.06580	0.6
259.06033	7.6
261.04105	0.6
261.87619	0.4
265.07022	0.5
271.06030	1.0
273.07581	1.7
277.07111	5.6
281.08087	0.5
283.06061	1.0
285.00894	0.6
289.07108	9.3
294.05316	2.0
295.05676	0.4
297.07574	0.7
297.78656	0.4
301.07104	5.9
309.07617	0.6
319.08267	5.5
337.06711	2.4
337.09259	4.6
355.10556	10.4
355.13849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1026
Annotation	Isobiflorin
Peak:m/z	Relative Intensity
51.86072	1.1
55.01894	1.1
56.96578	1.1
57.03413	1.7
61.02932	1.2
63.68900	0.9
68.99779	1.2
69.03429	1.4
69.07035	1.0
70.84560	2.7
71.05005	1.1
73.04767	2.1
79.01868	3.1
81.03432	1.1
81.70446	1.1
84.08171	1.4
85.02893	5.1
91.05853	1.2
97.02939	1.3
98.97598	1.5
103.84786	0.9
107.04977	1.8
109.02919	2.4
119.04955	1.0
121.02888	3.4
133.02866	6.3
135.04370	1.3
137.06042	3.4
145.02858	1.0
147.04469	1.6
149.06017	3.5
151.73811	1.1
158.00374	1.0
161.06044	1.7
163.03960	3.8
165.01868	1.4
165.05486	6.2
168.94145	0.8
177.05467	6.2
178.02695	2.3
178.06267	6.4
181.04988	5.2
181.23161	1.0
187.03935	1.6
189.05507	3.5
191.03355	2.5
193.04977	43.2
193.08620	1.8
201.05566	1.4
203.07112	1.3
205.04985	85.0
206.05756	40.0
207.06602	1.3
217.04988	15.4
219.02986	3.4
219.06552	16.5
221.04518	1.1
223.06131	2.2
229.05028	2.6
230.05815	5.6
231.06517	9.3
233.04375	4.7
233.08179	1.8
235.06027	100.0
243.02843	2.1
243.06621	1.9
245.04436	2.3
245.05634	1.5
245.08151	21.9
247.05995	5.6
249.07637	1.9
259.06042	28.8
261.04050	2.7
263.05518	1.1
265.06979	4.7
266.43106	0.9
273.07599	7.8
277.07092	4.8
281.07956	2.1
283.06128	1.7
285.01208	2.2
289.07086	28.5
289.10068	1.8
294.05264	5.6
301.07120	14.5
308.06912	1.5
309.07654	2.6
319.08215	29.0
319.11914	1.9
337.09610	28.9
355.10391	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20244	0.7
71.03880	1.6
73.04771	1.1
87.72352	0.8
91.05800	1.2
97.96305	0.5
120.41502	0.5
136.07562	2.1
139.03944	1.1
158.24762	0.5
163.03984	0.7
164.07060	3.7
177.01674	1.3
182.08174	2.5
185.04234	4.0
192.02211	0.9
192.03957	16.8
193.04744	7.2
250.99834	1.0
268.70999	0.6
285.01096	0.9
309.52054	0.7
324.08151	3.2
325.08875	1.4
355.10031	100.0
356.10510	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0809
Annotation	Ophiopogonone C
Peak:m/z	Relative Intensity
52.33968	0.3
53.03936	0.4
55.01860	0.7
55.05469	0.4
57.03416	0.4
65.03911	1.0
67.05507	3.9
68.99765	0.9
69.03410	0.7
69.07053	0.8
70.06596	3.2
71.04964	0.4
71.55384	0.5
72.08127	0.5
72.10416	0.3
73.04754	0.3
76.03976	0.6
77.03912	0.4
79.05456	1.4
81.03375	0.6
81.07017	0.5
82.39704	0.3
83.01305	0.5
83.04948	0.5
84.04475	0.7
84.08137	0.6
85.02866	1.2
86.09713	2.9
89.03890	0.9
90.05521	0.4
91.05398	2.3
95.04977	3.6
95.08549	0.6
97.02866	0.6
105.03403	1.9
107.04932	1.8
107.08576	0.6
109.10124	0.9
111.04386	0.4
117.03373	0.7
119.04259	0.4
119.04954	4.8
119.08572	0.7
121.02877	17.5
121.03780	0.6
121.06448	0.4
121.10159	0.5
123.04400	1.4
127.03873	0.4
130.06480	0.6
131.04918	0.5
131.06906	0.4
133.10057	0.5
135.04424	2.7
137.06006	1.6
137.09586	1.0
142.98355	0.3
145.02858	4.8
145.03914	0.3
146.07257	0.3
147.04436	2.1
148.01582	0.4
149.02286	1.3
150.05450	0.9
151.05768	0.4
152.07028	0.8
153.01801	0.4
158.57433	0.3
162.03168	0.5
163.03920	6.3
164.07112	0.4
165.01810	1.2
167.03404	0.9
173.02364	4.1
175.00235	0.8
175.03838	0.9
175.14819	0.6
176.01041	7.0
177.01805	1.2
179.03346	1.3
181.04985	4.7
183.02910	0.4
183.14905	0.5
189.01877	0.7
189.06999	0.4
190.02623	1.9
191.03394	14.5
193.04959	0.7
193.08372	1.4
193.15875	0.5
194.02164	2.7
201.01826	1.7
201.05479	2.4
207.02876	0.9
208.03633	0.5
209.04445	2.9
211.14345	0.4
219.02899	17.0
221.05899	0.4
225.08946	0.5
234.06671	0.6
235.07428	0.6
237.03912	1.2
239.06987	0.5
253.08575	1.2
255.06525	1.0
256.07312	0.7
258.74460	0.4
263.07028	1.4
267.06564	0.9
268.97845	0.4
269.08203	0.6
270.08881	0.3
276.12164	0.4
279.06366	1.7
280.07269	4.0
281.08102	16.0
282.13162	0.6
283.06018	5.7
284.06821	2.8
285.00980	0.6
290.05664	0.4
291.06549	3.6
293.04312	0.4
294.05225	45.8
295.05878	3.0
297.07599	8.3
298.08328	2.1
299.09149	0.4
305.08185	0.4
307.06006	6.3
308.06802	9.5
309.07581	18.1
310.07748	0.5
312.06540	0.4
319.06015	9.3
337.07068	100.0
338.07550	2.3
338.11539	0.4
355.08133	56.8
356.08539	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.3
53.95627	0.4
55.01868	1.2
55.93691	0.3
56.96564	1.0
69.03424	0.6
70.06599	0.5
70.15885	1.1
70.16275	0.9
73.02927	0.7
73.04750	1.3
79.05496	1.5
83.01355	0.9
84.08164	0.5
84.90447	0.4
89.03415	0.5
89.03930	9.4
91.05798	1.4
95.01357	0.5
95.04945	0.4
97.02898	0.4
98.97583	1.7
100.58818	0.4
101.02385	1.0
107.04949	2.4
113.02405	0.4
116.98600	0.4
117.03392	11.8
127.05759	0.4
128.98592	0.4
131.04916	0.4
132.53311	0.4
135.04436	22.5
139.03902	0.4
145.02861	15.8
145.04007	1.0
163.03918	100.0
164.04303	1.5
164.07082	0.6
181.05000	0.7
186.15425	0.4
213.54201	0.4
219.01657	0.5
223.19319	0.3
229.00415	0.4
235.51137	0.5
237.02858	0.5
250.09547	0.4
262.15350	0.8
268.97934	1.0
273.34131	0.5
285.00946	0.9
307.01071	0.4
355.06668	5.0
355.10193	0.9
355.19763	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3369
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
50.03014	1.6
55.05519	11.1
56.72272	1.5
57.07082	12.9
58.02967	1.8
58.06602	17.7
60.04524	3.6
61.65370	1.3
67.05508	9.2
69.07076	20.7
70.02943	3.6
70.06585	5.7
70.58349	3.9
71.04953	1.7
71.08646	7.2
72.04510	4.0
74.06081	2.0
75.09160	1.4
79.05473	2.2
81.07071	15.6
82.06595	1.9
83.08634	13.1
84.08136	5.5
85.10185	3.2
86.06075	4.2
87.06863	1.9
91.05813	1.8
93.07043	2.2
95.08617	14.7
97.10181	8.4
105.07117	1.5
107.08615	2.1
109.10158	7.8
111.11733	4.6
120.07228	1.3
123.08094	1.4
123.11696	4.8
125.13285	2.1
137.13290	1.9
143.04900	1.5
151.93732	1.5
163.28986	1.3
253.82597	1.6
266.54980	1.4
268.29953	3.2
294.31546	3.1
306.31552	2.6
307.29947	3.8
308.33160	2.8
326.34216	4.3
336.32715	13.2
337.30978	3.3
354.33676	100.0
355.34335	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	354.264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11336	3.1
55.01859	3.6
55.05518	6.7
56.96561	5.8
63.20221	2.4
67.05505	20.4
69.07074	22.0
69.34724	23.6
70.06586	8.3
75.32202	3.0
78.12315	2.6
79.05487	9.0
81.07059	15.8
88.07641	15.7
91.05478	3.9
93.07032	7.9
94.07364	3.4
95.08629	11.2
98.97591	3.3
102.09204	3.9
102.25457	3.1
104.12419	2.9
105.07025	7.8
106.08635	7.1
107.08615	4.9
109.10165	7.8
119.08534	3.0
120.89482	2.6
123.08069	3.5
131.08595	2.7
133.10223	3.8
135.04440	5.6
135.35567	3.0
137.02365	17.7
139.19066	3.3
140.72200	2.7
145.06522	3.0
145.10068	2.8
149.02272	4.0
161.06015	3.0
162.19502	2.7
163.03934	12.3
164.04335	5.3
165.01854	6.1
167.03439	16.3
177.05598	2.9
187.07555	3.0
189.05495	3.1
201.05492	4.7
202.05812	3.1
203.07184	2.7
219.10146	3.2
220.10501	7.3
229.07576	9.8
247.08643	9.3
281.08084	7.9
287.09259	5.2
299.09174	13.4
309.14359	2.8
333.24255	3.3
336.13168	8.6
336.32532	4.8
354.14166	6.2
354.17935	14.4
354.33698	100.0
355.15311	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.59077	1.6
53.03938	3.8
55.01866	4.7
55.05518	12.5
57.03430	4.8
57.07072	4.0
58.90204	1.9
66.35667	1.6
67.05509	89.1
68.99796	2.2
69.07066	14.1
69.71528	9.4
69.98735	1.4
71.05005	2.1
73.42940	1.6
79.05069	2.7
79.05499	44.1
81.07061	100.0
83.05016	2.4
83.08618	7.9
85.06490	1.9
91.05486	27.0
93.07053	64.8
95.04967	3.7
95.08615	60.7
95.85807	1.7
97.06522	2.9
97.10151	4.4
105.07040	17.2
107.08605	41.9
109.06546	2.9
109.10163	38.9
111.08057	2.0
111.11764	1.8
113.09689	1.9
117.07044	8.9
119.08585	12.5
121.10153	34.9
123.08046	2.6
123.11705	21.1
131.08571	25.5
133.06493	3.1
133.10132	12.4
134.22896	1.7
135.11696	27.2
137.13252	5.5
141.01859	1.8
145.10120	14.5
147.11690	10.2
149.13280	20.1
150.92654	2.1
151.14847	2.9
159.11713	10.7
161.13306	8.2
163.14859	12.8
165.01849	38.6
167.03404	6.4
167.94930	1.7
173.13272	18.2
177.12859	2.0
177.16406	5.3
180.37285	1.7
183.02904	19.9
187.14850	7.4
189.12694	4.6
189.16367	2.1
191.03331	2.4
193.04974	4.7
195.02878	2.3
201.05458	4.0
201.16389	4.3
219.06566	3.3
219.17487	1.8
233.22684	4.0
243.03365	1.6
243.21106	24.1
255.06314	2.5
261.22159	93.3
262.22440	2.0
279.23248	3.5
335.12860	3.1
335.25864	7.2
345.75690	1.7
353.13788	7.2
353.27066	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	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32918	1.9
53.03937	3.1
53.62299	1.7
53.69944	1.6
55.01865	7.3
55.05519	16.5
55.20786	1.6
57.03423	5.8
57.07073	4.3
57.58474	1.6
65.03938	2.9
67.05511	93.7
68.99767	1.9
69.07074	11.1
71.08605	2.4
79.01810	1.9
79.05067	3.5
79.05499	42.9
79.56022	1.6
81.03411	4.6
81.07064	100.0
83.08613	6.9
85.06552	2.6
91.05493	24.9
92.99758	2.4
93.06475	3.5
93.07052	52.2
95.04981	2.2
95.08618	71.0
97.06562	3.8
97.10168	4.5
99.00793	2.4
99.08089	2.0
105.04454	1.8
105.07040	18.4
107.08602	33.6
109.02858	4.2
109.06550	2.5
109.10172	41.4
111.07996	2.0
113.09600	2.5
117.07027	10.5
117.90778	1.9
119.08595	11.4
121.06486	2.7
121.10144	30.6
123.11710	20.0
131.08574	15.4
133.06485	2.7
133.10135	11.7
135.11699	25.0
137.02354	2.0
137.13263	7.1
141.01839	4.8
145.10106	12.2
147.11707	12.2
149.02313	2.8
149.13271	17.4
151.14731	2.0
159.11673	13.8
161.13359	9.0
163.14833	14.1
165.01851	63.9
165.12791	1.9
167.03416	7.8
173.13290	15.2
175.14818	3.4
177.01840	2.7
177.12794	1.9
177.16403	3.0
180.03757	2.1
183.02901	39.1
187.14786	8.5
189.12643	3.0
191.03398	4.0
193.05000	8.6
195.02933	5.0
195.08011	2.1
201.05453	6.7
201.16484	4.1
213.09027	3.9
219.06583	5.8
233.22682	2.3
237.07555	2.7
243.21123	19.7
255.06630	4.0
261.22177	87.2
266.73248	1.8
279.23215	6.5
297.07596	3.2
335.12723	7.0
335.25845	12.7
353.13846	16.4
353.26834	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	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01859	1.7
55.05512	13.7
56.96566	1.7
57.03426	3.9
57.07071	5.3
65.03943	3.1
67.05508	98.9
67.39410	1.0
69.07069	14.2
70.27769	3.9
70.28123	1.2
71.04982	2.8
75.04485	1.6
79.05499	51.0
81.03425	1.3
81.07061	94.1
83.04963	2.0
83.08620	6.6
85.02869	1.0
85.06530	2.1
91.05486	28.1
91.06018	2.2
93.07050	64.7
95.04964	2.9
95.08611	74.2
96.41196	1.1
97.06526	3.8
97.10165	3.7
99.08080	3.0
105.07029	21.1
107.08598	40.7
109.02837	1.6
109.06493	1.4
109.10163	36.5
111.08072	2.4
113.09656	2.3
117.07014	10.0
119.08582	17.1
121.10144	32.3
123.08127	1.2
123.11708	22.6
125.09642	1.8
127.11209	1.6
129.07010	1.8
131.08583	23.4
133.10143	14.8
135.11705	29.0
137.09561	1.2
137.13242	7.0
139.11218	1.2
145.10138	18.0
147.11711	10.7
149.13261	21.5
151.14807	1.9
159.11711	15.4
161.13260	10.4
163.14810	13.5
165.12643	1.8
173.13248	18.0
175.14824	4.7
175.16174	1.3
177.16418	5.0
179.02861	1.1
179.14346	1.4
187.14816	8.8
191.14322	1.4
201.16402	3.2
215.17929	1.2
219.17511	1.8
233.22679	4.9
243.21089	25.5
261.22153	100.0
269.08310	1.5
279.23178	4.2
281.10654	4.9
297.07523	3.4
299.11700	2.7
304.70172	1.0
332.11020	1.0
335.25809	6.8
353.13757	4.0
353.26877	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03940	2.2
55.01865	1.5
55.05517	14.1
57.03438	6.0
57.07069	3.6
60.65105	0.7
63.01377	0.7
63.36434	0.8
65.03940	2.5
66.84342	0.8
67.05511	94.5
69.07076	11.7
71.05003	2.0
71.08643	1.1
75.04470	1.6
79.05499	45.1
81.07063	100.0
82.07405	1.0
83.05009	1.7
83.08618	6.2
85.06549	1.8
91.05487	21.5
93.07050	55.4
95.04392	0.8
95.04977	3.5
95.08615	70.8
97.06523	2.2
97.10175	3.7
99.08077	2.2
105.04514	1.4
105.07034	17.9
107.07867	1.7
107.08601	34.1
109.06489	1.6
109.10163	35.0
111.08103	1.4
113.09676	1.2
115.05515	0.9
117.07027	8.1
119.08588	13.9
121.10150	27.8
123.08051	0.9
123.11722	18.2
125.09657	1.1
131.08572	18.4
133.10150	11.0
135.11707	25.0
137.09612	1.9
137.13268	8.1
139.11171	1.3
145.10144	14.8
147.11700	9.4
149.09624	1.3
149.13271	17.3
151.11250	1.3
151.14868	3.3
159.11702	11.6
161.13252	6.9
163.14839	11.3
163.16122	1.3
165.12738	1.0
165.16441	0.9
173.13268	12.6
175.14870	3.0
177.12813	1.1
177.16429	4.6
179.14319	0.9
187.14833	10.2
189.16347	1.0
191.14427	1.1
201.16432	2.3
205.15845	1.1
212.14894	0.8
215.17976	1.0
219.17406	1.1
228.97256	0.8
233.22597	4.0
243.21085	19.6
261.22159	80.3
262.22382	1.6
279.23169	6.4
317.24823	1.2
335.25793	10.6
353.26892	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	353.2684
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
53.03947	1.8
55.01876	8.0
55.05506	10.6
57.07080	9.2
65.03941	2.9
66.45071	1.4
67.05511	21.6
68.99793	5.3
69.03427	3.9
69.07072	22.9
69.31277	3.5
69.31676	12.6
71.04991	3.1
71.08639	20.6
79.01875	2.8
79.05492	12.0
81.03425	6.3
81.07063	36.7
83.04987	2.5
83.08636	9.2
85.06560	3.3
87.78365	2.3
91.05486	10.5
93.07050	19.3
95.04975	6.9
95.08612	26.3
97.02908	4.0
97.06530	4.9
97.10189	2.4
99.00798	2.6
99.08109	15.7
103.05483	2.0
105.07049	14.9
107.05010	1.7
107.08601	12.9
109.02872	2.7
109.06520	24.2
109.10156	10.5
111.08118	2.9
117.07028	2.1
119.08594	14.4
121.06511	7.2
121.10155	7.8
123.08097	3.9
123.11725	5.1
131.08574	4.8
133.06525	3.3
133.10109	9.7
135.08116	4.0
135.11694	5.1
137.02386	5.3
137.13165	2.0
137.52907	1.5
139.11192	5.9
141.01842	9.0
145.06532	2.4
145.10167	6.4
147.11679	5.0
149.02357	12.3
149.09619	2.6
149.13283	3.4
151.11180	2.5
151.14796	1.9
153.01875	2.1
155.03479	1.8
159.11691	3.6
159.86502	1.7
161.13248	5.0
163.11240	3.5
165.01851	100.0
165.12762	48.0
167.03416	21.2
173.13310	1.9
175.11212	2.2
175.14859	3.9
177.12820	4.9
179.03496	2.5
179.14319	2.8
183.02910	67.7
183.16521	1.5
189.12798	7.9
189.16417	2.4
191.03378	2.6
193.04980	11.7
195.02930	5.6
195.08049	3.0
201.05515	13.3
201.12729	5.3
209.19009	9.8
213.09174	4.3
219.06450	3.0
229.07394	4.0
233.08115	1.7
233.19005	1.9
237.18538	2.2
255.06580	5.9
261.22278	2.7
267.06595	2.4
279.06689	2.7
279.19482	3.6
285.07568	5.4
289.25317	24.5
297.07538	2.9
305.18314	1.7
307.26279	4.1
317.24789	61.0
335.12848	15.0
335.25833	91.3
353.13828	22.3
353.17697	2.2
353.29294	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	353.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
55.01884	6.5
55.05515	14.1
57.03437	6.0
57.07068	5.4
65.03938	2.6
67.05508	95.5
68.42480	1.3
68.99786	3.6
69.07071	13.6
69.89538	7.6
71.05003	1.6
71.08627	1.6
75.04498	2.5
77.03921	1.4
78.49436	1.4
79.01881	2.5
79.05498	50.7
81.03439	1.9
81.07062	100.0
83.04986	1.9
83.08643	6.8
85.06550	2.5
91.05481	26.2
93.07051	72.9
95.04979	3.8
95.08615	76.0
97.02856	1.7
97.06558	2.7
97.10180	4.1
98.21466	1.4
99.00822	2.8
99.08123	3.2
105.04553	1.4
105.07029	20.0
107.08599	42.8
109.06544	1.5
109.10164	41.7
111.08082	1.7
111.11794	1.6
115.40951	1.4
117.07020	11.3
119.08597	16.6
121.10146	30.2
123.11709	22.2
127.81921	1.3
131.08571	19.5
133.06508	2.6
133.10141	15.7
135.11693	29.8
137.02328	2.6
137.09636	1.7
137.13242	7.9
139.11192	1.7
141.01851	4.7
145.10118	13.5
147.11711	11.7
149.13266	27.1
151.14870	3.1
159.11700	16.1
161.13254	10.6
163.14813	14.2
165.01848	89.1
165.12726	2.5
167.03395	12.2
170.52228	1.4
173.13252	15.4
175.14853	4.2
177.12845	1.8
177.16397	4.9
179.14322	1.8
183.02907	29.8
187.11209	1.7
187.14845	9.6
189.12775	4.5
191.03377	3.3
193.04955	10.1
195.08060	3.3
201.16385	2.5
205.15887	2.3
213.09145	4.8
219.06525	3.1
219.17484	2.5
233.22643	8.1
243.21107	23.4
261.22162	99.5
262.22528	1.4
279.23239	4.9
297.07684	4.0
335.25891	6.4
353.13922	14.9
353.26907	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	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03941	2.2
53.70324	1.1
55.01873	1.5
55.05312	1.6
55.05515	16.4
57.03452	6.1
57.07075	3.8
65.03937	3.5
67.05509	93.1
69.07069	14.0
70.24392	5.2
71.05000	2.2
71.08633	1.2
77.00893	1.2
79.05500	43.3
81.07061	100.0
83.08624	7.7
85.06553	2.7
91.05486	22.1
93.07050	55.7
95.04958	1.5
95.08611	79.0
97.06535	3.0
97.10159	4.0
98.20782	1.5
99.08086	1.6
105.07029	15.7
107.08597	36.9
109.10159	39.8
109.81340	1.5
111.08076	2.0
117.05726	1.3
117.07050	7.7
119.08586	15.1
121.10150	31.0
123.08170	1.3
123.11717	19.3
131.08575	20.3
133.10144	12.3
135.11693	28.2
137.09583	1.6
137.13268	7.4
145.10117	13.4
147.11696	9.7
149.13261	22.3
151.14821	2.5
159.11729	13.7
161.13257	9.9
163.14818	11.1
173.13240	12.3
175.14786	2.4
177.16441	3.5
187.14775	10.1
189.16447	1.2
191.14317	1.6
201.16344	2.1
206.78021	1.3
215.17963	1.7
219.17274	1.4
233.22678	3.7
243.21046	16.8
261.22162	80.5
279.23160	6.9
313.93176	1.4
317.24783	1.6
335.25903	9.4
353.26932	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	353.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.4
55.05507	17.5
56.96569	6.2
57.07074	10.7
65.01409	4.5
65.03937	4.5
67.05511	88.9
69.03410	4.3
69.07060	18.5
70.78875	3.8
76.66648	3.6
79.05500	54.5
81.03436	6.2
81.07063	100.0
83.04983	3.9
83.08643	9.0
91.05470	30.7
93.07055	65.8
95.04979	7.5
95.08608	72.7
97.06525	7.1
98.97586	4.4
101.77543	4.0
105.07047	22.3
107.08595	37.4
109.06496	4.5
109.10159	37.1
117.07069	11.5
119.08592	22.9
119.90280	4.0
121.10173	36.2
123.11710	15.7
128.40088	3.9
131.08595	24.0
133.10146	15.6
135.11720	40.5
137.02347	9.2
137.13283	10.7
145.10138	17.9
147.11693	16.2
149.02359	11.8
149.13255	17.7
151.99503	4.2
153.01799	6.5
159.08943	3.8
159.11671	12.9
161.06000	5.4
161.13315	8.9
163.14848	14.4
165.01839	8.4
167.03435	13.4
173.06018	4.9
173.13272	14.4
177.01904	5.3
183.03008	5.3
186.58748	4.4
187.14836	7.6
191.06998	9.9
194.46629	4.0
195.02950	8.8
201.05444	11.3
219.06558	52.0
229.01372	5.0
229.07513	12.7
241.08679	4.9
242.05780	4.3
243.21187	24.7
247.08612	7.7
255.06589	8.1
261.22186	79.0
269.08145	6.9
285.07507	20.1
297.07578	20.0
305.03003	3.9
335.12003	12.6
335.25717	5.6
353.06830	7.9
353.13745	55.4
353.22888	9.7
353.26883	8.5
354.33710	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	353.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.01873	2.6
55.05523	13.1
57.03440	4.7
57.07080	2.8
64.84342	1.1
65.03609	1.5
65.03947	23.6
67.05177	1.8
67.05512	32.9
69.07073	18.0
70.06617	1.3
70.17818	3.8
71.08640	15.2
79.05499	19.6
81.07064	40.2
82.83093	1.3
83.04992	2.0
83.08644	6.2
85.06525	1.5
88.07657	1.4
91.05486	14.7
93.03425	13.5
93.07051	18.3
95.08620	21.2
97.06541	4.4
97.10170	5.0
99.08104	11.7
105.07038	9.5
107.01410	2.0
107.04913	1.1
107.08601	14.9
109.10175	13.9
115.05466	4.3
117.07038	4.5
119.08625	8.2
121.02859	1.9
121.10173	7.9
123.11673	5.5
125.09627	3.1
129.07024	1.7
131.08583	7.3
133.06528	4.8
133.10185	1.9
135.08086	1.6
135.11708	9.7
137.13257	2.7
141.06996	2.7
145.06470	6.6
145.10156	4.2
147.11710	8.9
147.44913	1.2
149.02356	4.1
149.13254	6.0
153.01836	5.3
153.12721	2.1
159.08046	4.4
159.11644	2.0
161.02354	5.7
161.05998	12.7
161.13217	1.6
163.11176	1.4
163.14815	3.6
165.01889	2.7
165.12814	2.2
167.03452	1.7
169.06477	5.2
173.06052	3.6
173.09532	1.1
173.13263	3.0
175.03873	1.8
175.14818	1.3
177.09145	3.2
177.16422	1.4
179.03415	100.0
179.14445	1.1
180.03717	1.3
183.02960	1.4
185.06015	2.3
187.07587	1.7
187.14752	1.9
189.11263	1.7
191.07050	4.8
193.04948	8.5
193.47279	1.1
197.06017	4.0
199.07568	1.6
201.05479	24.3
201.12747	7.6
205.08649	1.2
209.15416	1.1
211.07639	2.2
215.07053	49.7
219.06549	1.3
227.07047	1.8
233.08113	77.7
233.22720	1.4
234.08427	2.9
238.67334	1.1
243.21100	6.9
251.06761	2.1
251.09186	31.0
255.06523	13.4
261.22186	15.1
267.06436	3.1
279.06613	5.6
279.23233	8.3
281.08112	8.2
285.07681	1.2
297.07614	4.4
311.12827	1.4
335.12747	24.0
353.13791	23.0
353.26639	10.5
353.29541	8.7
353.79422	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	353.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.0
56.96567	1.1
67.05496	1.4
69.83086	2.5
77.00903	0.9
79.05496	0.9
81.07056	2.2
91.05480	1.4
93.07052	0.8
95.08588	0.9
98.97599	0.6
105.07047	1.2
107.08595	0.6
109.10150	1.4
109.73119	0.6
117.13906	0.5
119.08630	0.5
123.11755	0.6
135.11726	0.6
144.73477	0.5
195.09926	0.8
213.09700	0.7
215.11366	1.1
229.07559	0.6
243.14447	1.3
253.13007	1.4
271.13950	1.0
335.20816	2.3
353.23010	100.0
354.23288	1.5
357.84793	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1751
Annotation	4'-O-Methylbavachalcone
Peak:m/z	Relative Intensity
53.03933	0.4
67.05507	0.8
68.99792	0.3
69.07060	0.3
71.54920	0.4
77.03918	0.3
78.04706	0.6
79.05497	0.7
81.07058	1.0
83.74356	0.3
91.05499	1.7
93.07058	0.6
95.04964	0.5
95.08604	1.6
105.07079	0.7
106.04191	0.4
107.04995	0.3
107.08624	0.4
109.10193	0.3
115.05487	0.3
121.06518	100.0
122.06831	0.8
123.08037	1.3
133.06508	0.4
135.08052	0.8
145.10175	0.4
151.07573	0.8
161.05977	1.2
163.03906	0.9
165.01860	0.6
189.05479	3.4
194.94812	0.3
195.06519	0.9
195.92043	0.2
201.05473	0.4
217.27443	0.3
219.06584	0.4
219.10275	0.3
237.07623	0.7
245.11751	0.7
250.97896	0.3
261.22214	0.4
297.11243	4.3
311.12769	0.3
353.14008	0.6
353.17517	10.6
353.24060	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1708
Annotation	Ile-lle-OH
Peak:m/z	Relative Intensity
54.52068	0.3
56.05040	8.1
56.96556	0.5
60.13437	0.3
69.86642	0.5
69.87032	0.7
73.07662	0.4
74.06068	0.5
76.30486	0.3
79.05496	0.4
81.07043	0.3
91.05476	0.7
93.07052	0.5
96.06850	0.4
97.07666	1.3
98.08470	0.5
98.21472	0.5
101.07150	2.0
102.05556	1.4
107.04943	0.8
109.07629	0.5
119.04929	0.5
119.08549	0.5
120.08118	0.3
121.02812	0.5
123.09163	0.3
124.09953	0.4
137.10710	0.6
139.03947	0.3
142.07373	6.8
143.08578	0.5
147.04431	0.7
147.08046	0.4
155.08157	0.7
160.11258	1.3
161.09604	0.9
167.08199	0.7
168.08832	0.4
170.61543	0.3
177.05331	0.4
181.09734	0.9
182.10518	1.0
188.10722	1.6
189.09145	0.4
195.11194	0.6
209.09221	0.3
209.12950	0.4
216.10281	0.4
241.51984	0.3
261.15991	0.6
263.17502	0.6
289.15509	2.0
293.11276	0.5
307.16513	10.2
334.66351	0.3
335.15997	6.1
353.17075	100.0
354.17407	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1385
Annotation	Demethylpraecanson B
Peak:m/z	Relative Intensity
50.96543	0.6
51.02393	1.0
53.00283	0.7
53.03932	1.8
55.01856	1.7
55.05513	3.2
56.96545	0.9
65.03944	13.8
67.05507	4.0
68.99772	1.3
69.07053	1.4
69.80786	1.5
69.81178	1.3
71.04958	0.7
75.49789	0.6
79.01836	1.4
79.05139	0.6
79.05505	7.8
81.03436	2.9
81.07037	2.9
83.04966	1.2
91.05489	23.5
91.48016	0.8
93.03414	10.2
93.07051	5.0
94.06781	0.7
95.01335	0.8
95.04951	2.4
95.08582	2.1
103.05457	2.0
105.03415	1.1
105.07024	2.9
107.01331	3.1
107.04971	13.7
107.08575	1.7
109.02818	0.9
109.06500	1.8
115.05456	2.6
116.06227	2.8
117.07020	2.5
118.45284	0.6
119.04949	9.0
119.08583	7.3
121.02846	0.6
121.06490	1.0
123.04449	3.1
125.02348	0.8
127.94945	0.5
128.06241	6.3
129.07024	4.3
131.04951	2.2
131.08566	13.6
133.02769	0.7
133.06479	2.2
133.10097	0.9
135.04436	12.1
135.08076	1.1
137.02238	0.6
141.01952	0.6
141.07007	4.7
143.08559	1.7
144.05727	4.0
145.06483	2.3
147.04434	8.0
147.08058	5.0
149.02356	1.7
149.09630	1.2
151.03920	19.1
159.04375	2.2
159.08063	13.4
161.02330	4.8
161.06000	1.4
161.09669	0.8
163.03918	13.7
163.07533	1.2
165.01865	7.6
165.09116	4.9
167.03424	2.6
169.06525	3.0
171.08037	0.8
172.05183	1.0
173.05984	1.5
175.03928	10.2
177.05508	1.6
177.09084	0.7
179.03413	60.9
180.03690	0.6
181.04942	3.0
183.02895	3.5
187.07558	18.8
189.05408	1.7
191.03403	2.7
191.07056	1.5
193.04974	1.5
195.02870	1.2
197.05954	3.2
201.05486	0.8
205.08598	4.6
215.07050	13.2
219.02985	0.9
219.06519	2.0
220.98677	0.6
221.08073	1.6
233.08096	64.9
234.08514	1.5
242.71745	0.6
251.09167	100.0
252.09465	1.6
281.08084	15.8
297.07666	1.4
307.13205	3.3
309.11301	0.9
311.12634	1.3
335.12744	10.2
353.13855	67.4
354.14145	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1386
Annotation	Alisiaquinone A
Peak:m/z	Relative Intensity
55.01851	1.3
55.05500	1.6
57.20819	1.0
65.03928	5.4
67.05506	6.4
68.05822	1.1
68.29053	0.9
68.89598	1.0
69.07074	1.4
69.47315	6.5
79.05495	9.0
81.07072	5.2
91.05478	3.1
93.03410	5.2
93.07040	2.0
95.04996	1.5
95.08604	3.2
96.38766	1.1
103.05450	2.0
105.07016	1.5
107.04955	11.0
107.08604	1.7
109.10139	1.1
115.05478	1.1
117.07016	2.6
118.00192	1.0
118.04110	2.1
119.08565	1.2
121.02904	5.0
121.06503	19.5
121.10128	1.6
128.06219	7.6
129.07008	14.0
131.01329	6.4
131.04933	2.2
131.08528	1.5
133.06496	11.0
144.05663	1.5
145.06467	5.2
145.10135	1.4
147.04388	1.2
149.02353	100.0
149.13229	1.7
155.06073	2.1
157.06494	30.1
158.07249	1.9
159.08109	5.1
161.02315	1.6
161.05977	19.6
165.01804	1.4
167.03406	83.0
171.08038	1.4
172.08864	4.7
173.05998	5.6
177.05486	1.9
179.03433	1.9
187.11197	89.4
188.11475	2.2
191.07080	6.4
199.11201	3.6
201.05490	28.3
219.06529	9.1
227.06993	3.2
261.22128	4.2
283.09583	3.3
325.14294	2.4
335.12747	29.8
353.13800	4.7
354.33658	1.3
365.86639	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1385
Annotation	Emoroidone
Peak:m/z	Relative Intensity
55.01859	0.9
65.03940	0.3
67.01860	0.4
67.05490	0.6
68.99785	1.5
69.07074	7.8
69.84211	0.8
69.84626	0.3
79.05499	0.3
81.07042	0.9
91.05488	1.7
93.07023	0.3
95.08598	0.3
103.05471	0.3
105.07066	0.4
107.08566	0.3
108.03156	0.2
111.00786	0.7
115.05475	2.9
117.07030	3.5
121.02843	0.5
123.04458	0.6
128.06233	0.7
129.06992	0.8
131.04988	0.2
131.08568	0.9
133.02872	0.3
133.06480	0.7
135.43312	0.2
137.02332	0.3
139.03911	1.0
139.04900	0.2
141.06979	0.7
141.11824	0.2
143.04973	0.3
143.08572	1.3
144.05669	0.2
145.06499	11.7
152.06213	0.5
153.01843	16.8
153.07031	1.1
155.08505	1.1
157.06526	2.4
159.08090	2.1
160.05190	0.3
163.03941	0.3
163.07527	0.4
165.01854	6.0
165.07005	1.1
167.08542	0.8
168.09233	0.3
169.06506	0.8
171.02914	0.5
171.04346	0.6
171.08028	2.0
173.06001	1.3
173.13295	0.3
177.06981	0.7
179.03401	1.4
179.08530	0.5
181.06508	2.0
181.10104	0.4
183.02921	1.8
183.08102	2.0
183.11723	1.5
184.05168	0.4
185.05981	5.6
185.09590	0.6
187.03818	0.3
187.07547	0.9
189.05421	0.2
189.12770	1.8
191.08546	0.2
193.06519	0.6
195.08151	1.3
197.05980	1.5
197.09581	0.3
198.06750	0.4
199.07568	2.9
199.11143	0.8
201.05481	100.0
201.12750	29.0
202.05807	1.7
202.13002	0.4
205.06506	0.9
207.08047	0.4
209.05988	3.1
209.09599	0.5
210.06766	1.2
211.07581	3.8
212.08212	0.3
213.05489	1.7
215.07004	0.8
219.06477	0.3
221.06038	0.6
222.06613	0.3
223.07593	2.4
223.11169	0.3
224.34735	0.2
225.05391	0.7
225.09135	0.6
227.07059	6.5
227.10632	0.6
228.07555	0.4
229.08586	3.1
229.10593	0.2
233.05949	0.8
235.03883	0.4
235.07581	0.4
237.05432	1.4
237.09084	0.3
237.12730	0.4
238.06364	0.4
239.07002	0.5
241.05023	0.7
241.08569	0.4
241.12334	1.5
243.06656	0.3
247.11226	0.3
249.05438	0.3
249.12794	0.4
250.06314	0.4
251.07056	7.1
252.07712	0.9
253.05002	0.9
253.08621	2.2
255.06543	41.8
256.06964	0.7
261.05463	0.4
261.22189	0.3
262.06241	0.4
263.06998	0.4
265.04996	0.8
265.08472	0.3
265.12430	1.2
267.06546	12.5
267.13821	2.0
268.07004	0.4
269.08093	2.0
269.36194	0.2
277.08661	1.3
279.06546	20.1
280.07245	2.3
283.06125	0.4
283.13348	1.0
285.07593	3.5
289.12225	0.6
290.12366	0.3
291.06726	0.6
291.10309	0.3
293.08099	0.9
293.11847	0.7
295.09543	0.3
297.07599	16.3
298.07684	0.3
307.09848	0.4
307.13397	0.5
309.11224	1.8
311.12845	0.7
317.11694	2.0
335.12799	80.5
336.13153	2.5
353.13855	24.6
354.14209	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1386
Annotation	Alisiaquinone A
Peak:m/z	Relative Intensity
51.02369	0.3
51.55030	0.2
53.03940	0.6
55.01625	0.2
55.01877	3.9
59.04995	0.6
65.03936	0.4
67.01840	0.2
68.99792	3.0
69.03435	1.0
69.07076	0.3
69.35919	1.0
69.36344	0.5
75.40045	0.1
79.01858	2.2
79.05482	0.3
81.03432	2.8
83.01332	0.3
83.04960	0.2
91.05483	0.4
92.99767	2.0
96.64681	0.2
97.02913	1.4
99.00838	2.0
105.07026	0.8
106.90201	0.2
107.04990	0.3
109.02888	1.1
109.06536	0.2
111.00846	0.3
115.05482	0.3
119.04953	0.3
121.02883	0.2
123.00818	1.5
131.08546	0.5
133.06503	2.7
135.04465	0.3
137.02353	4.3
137.05968	0.9
141.01840	5.1
142.07675	0.2
147.08015	0.5
151.07545	0.6
152.06215	0.3
155.03409	0.4
157.06502	0.3
157.10149	0.3
159.08064	0.5
159.26183	0.2
161.09625	1.2
163.03941	0.5
165.01848	100.0
166.02205	1.1
167.03419	9.2
167.08527	0.4
169.06505	0.2
170.07304	0.3
171.08058	0.6
173.09650	0.6
175.11186	0.9
177.01874	0.4
179.03400	0.7
183.02905	28.6
184.03305	0.3
185.04446	0.8
185.09647	0.5
187.11240	0.9
189.12762	4.7
191.03394	2.6
193.04984	7.7
195.02937	0.5
195.06519	0.3
195.08101	2.5
213.09123	4.5
219.06532	0.6
233.08084	0.5
255.06555	0.6
297.07599	0.6
335.12695	0.4
353.13855	12.8
354.14322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62597	0.1
53.03941	0.6
55.01877	5.0
55.05500	0.4
56.25650	0.2
59.04988	0.7
60.56244	0.2
65.03941	0.4
67.05492	0.4
68.99437	0.3
68.99791	3.3
69.03430	1.3
69.07056	0.7
71.08612	0.3
79.01851	1.8
79.05486	0.4
81.03423	3.6
81.07055	0.6
83.01345	0.3
91.05460	0.6
92.99781	2.2
93.07048	0.4
95.04980	0.3
95.08606	0.5
97.02889	1.7
99.00822	2.0
99.08109	0.4
105.07027	0.8
107.04939	0.2
109.02859	0.8
109.06522	0.7
109.10187	0.3
119.04963	0.2
119.08552	0.3
121.02884	0.4
121.06469	0.2
121.10051	0.2
123.00798	1.9
129.06956	0.2
131.08572	0.8
133.06493	2.6
135.08142	0.2
137.02344	4.0
137.05994	0.8
141.01837	5.2
141.60736	0.2
145.06506	0.3
147.00749	0.3
147.08032	0.3
151.07556	0.5
155.03401	0.3
155.08540	0.2
157.06535	0.2
157.10123	0.4
159.08034	0.5
161.09654	1.0
163.03909	0.3
165.01845	100.0
165.12759	0.9
166.02162	0.9
167.03412	8.8
167.08618	0.2
171.08034	0.4
173.09613	0.7
175.11189	1.2
179.03403	0.3
183.02902	30.1
184.03253	0.4
185.04448	1.2
185.09662	0.2
187.11209	0.8
189.12750	5.6
191.03381	2.3
193.04977	8.7
195.08032	1.7
206.04489	0.2
209.18924	0.2
213.09119	4.5
219.06578	0.4
255.06627	0.5
279.06454	0.2
289.25305	0.5
295.07117	0.2
297.07626	0.6
311.12830	0.3
317.24704	1.3
335.25766	1.4
353.13855	14.1
354.14117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1388
Annotation	Emoroidone
Peak:m/z	Relative Intensity
51.02372	0.2
55.01877	1.2
55.05512	0.3
61.18668	0.1
65.03968	0.3
67.01871	0.4
67.05484	0.5
68.99796	2.0
69.00137	0.3
69.07076	7.1
70.54263	0.6
71.01363	0.3
75.17773	0.2
77.03943	0.3
79.05482	0.5
81.07053	1.0
88.07693	0.2
91.05491	1.5
93.07047	0.4
93.65128	0.2
95.08609	0.5
98.20748	0.2
104.06258	0.3
105.07013	0.5
107.04966	0.2
107.08572	0.3
111.00839	0.9
115.05473	2.5
116.06222	0.3
117.07040	2.9
119.04982	0.3
119.08585	0.2
121.02880	0.4
123.04445	0.5
128.06235	0.8
129.07025	1.0
131.04936	0.5
131.08539	0.9
133.02831	0.4
133.06514	0.7
137.02359	0.2
139.03935	0.9
141.07004	0.6
142.07803	0.3
143.04886	0.2
143.08560	1.1
145.06497	11.4
145.10100	0.3
147.08089	0.3
149.02296	0.4
151.03871	0.3
152.06247	0.4
153.01846	15.5
153.07002	0.9
154.07718	0.2
155.08575	0.8
157.06517	2.2
158.07269	0.2
159.04259	0.2
159.08093	1.8
163.03877	0.3
163.07521	0.5
165.01852	4.2
165.07011	1.0
166.07863	0.3
167.08549	0.9
168.09346	0.4
169.06496	0.8
169.09979	0.2
171.02888	0.3
171.04375	0.2
171.08086	2.3
173.05995	1.6
179.03436	1.5
179.08582	0.5
181.06509	1.7
181.10106	0.4
183.02930	1.9
183.08080	1.8
183.11729	1.6
184.05260	0.3
185.05977	5.0
185.09608	0.4
187.03915	0.2
187.07587	1.0
189.12767	1.3
193.04968	0.4
193.06534	0.5
195.08080	1.4
197.06047	1.3
198.06656	0.2
199.03879	0.2
199.07556	3.2
199.11281	0.4
200.04787	0.2
201.05486	100.0
201.12758	26.9
202.05832	1.9
202.13132	0.4
205.06503	0.8
207.08022	0.4
209.06001	3.0
209.09590	0.3
210.06760	0.9
211.07588	3.8
212.08313	0.3
213.05492	1.4
213.09010	0.3
214.06097	0.2
215.07042	0.7
221.06026	0.9
221.09615	0.3
222.06720	0.2
223.07570	2.3
223.11237	0.3
224.08324	0.3
225.05493	0.6
225.09167	0.6
226.06277	0.4
227.07039	6.3
227.10707	0.5
228.07709	0.2
229.08589	2.6
231.06438	0.3
233.05981	0.7
233.08102	0.3
234.06786	0.4
235.03923	0.2
235.07559	0.4
237.05484	0.9
237.12753	0.5
238.06355	0.4
239.07016	0.5
241.05081	0.5
241.08641	0.6
241.12326	1.1
243.06566	0.4
247.07675	0.3
247.11205	0.5
249.05431	0.3
249.09213	0.3
249.12801	0.3
250.06209	0.2
251.07039	6.6
251.09094	0.3
252.07796	0.7
253.04941	0.8
253.08649	1.9
254.05698	0.4
255.06551	41.0
256.06921	0.7
261.05475	0.3
261.22055	0.4
262.06262	0.3
263.07089	0.4
265.04974	0.7
265.08661	0.3
265.12302	1.3
266.05756	0.2
267.06555	12.1
267.13776	1.9
268.06992	0.4
269.08167	1.8
269.11188	0.3
277.08572	1.6
278.09421	0.2
279.06549	17.2
280.07324	2.0
283.06140	0.3
283.13284	1.0
285.07590	4.1
289.12241	0.8
291.06631	0.5
293.08121	1.1
293.11740	0.8
295.09647	0.4
297.07617	13.4
298.07986	0.5
299.10754	0.2
307.13397	0.4
309.11292	1.8
311.12845	0.6
317.11697	1.8
335.12805	72.4
336.13153	2.6
353.13867	20.7
353.79333	0.2
354.14145	0.7
377.43372	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
56.45458	0.8
56.96563	1.3
57.07067	0.8
63.03709	1.0
67.05519	1.0
68.84411	0.8
69.03445	2.2
70.06579	3.0
71.55075	1.3
72.08147	1.4
72.93810	0.8
76.73920	0.9
79.05486	1.3
81.03400	1.1
81.07043	1.2
85.02913	2.5
86.09653	0.9
91.05470	1.0
93.07011	1.1
95.04961	1.2
95.08550	1.3
97.02903	1.0
98.97581	1.7
107.08598	2.0
107.86700	1.0
109.10114	1.6
110.07161	1.2
119.04945	1.9
120.08120	2.1
121.02876	1.8
121.08473	1.1
121.10155	1.7
123.11681	0.9
123.86307	0.9
131.08594	1.0
133.02809	1.3
135.04446	0.9
137.02321	1.3
137.05971	1.0
139.00400	0.8
144.06610	1.0
147.04419	9.4
151.03970	0.9
162.05376	1.2
179.03442	2.0
185.04182	1.4
191.08180	6.7
192.06978	0.9
214.08598	1.2
219.01817	0.9
229.09608	1.0
249.07556	0.9
293.14810	1.0
317.11407	2.0
319.07074	0.9
335.12540	2.3
353.12085	100.0
354.12619	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.0
56.96545	1.0
57.13853	0.7
65.03932	0.9
67.05175	1.3
67.05509	17.1
69.03428	1.3
69.07040	1.7
69.50881	5.4
71.05003	5.8
71.29126	0.7
81.03429	1.6
85.02901	7.0
85.06548	23.6
95.04974	39.9
95.08535	0.9
97.02904	2.1
98.97556	1.1
109.23934	0.8
113.06023	5.9
127.07567	17.5
141.05466	34.5
155.07037	100.0
156.07408	1.1
159.06538	1.0
173.08099	38.6
180.08656	2.4
228.09732	0.8
246.31039	0.8
285.41754	0.9
324.09549	6.8
352.08926	5.6
353.06644	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.01876	4.2
55.05505	1.3
55.09314	1.1
56.30340	1.0
57.03434	1.8
61.02912	2.7
67.05504	4.0
69.03441	12.5
69.06723	1.9
69.07079	29.4
71.04988	1.4
71.22109	1.4
72.60815	1.1
73.02927	2.2
74.11463	1.2
79.05495	2.1
81.03427	7.2
81.07063	3.4
85.02917	32.9
86.09701	2.4
87.00832	16.7
91.05485	2.0
95.04961	3.9
97.02908	20.1
97.10172	1.5
99.04456	4.4
105.01880	30.2
107.04952	3.7
107.08601	1.4
109.02892	10.4
117.03416	1.3
117.07008	1.4
121.02898	2.0
122.02626	1.2
122.55773	1.2
127.03941	29.3
129.01820	1.9
131.08539	1.2
135.04428	6.6
137.02371	3.8
145.02907	1.7
145.04970	22.0
147.02902	1.6
159.02902	6.2
161.02310	4.6
162.72134	1.0
163.02715	1.9
163.03926	17.3
176.01028	1.4
181.04959	4.8
191.03404	10.5
195.08031	1.0
195.10129	1.7
195.13742	1.2
201.57980	1.1
213.03874	1.2
213.14836	1.7
231.05031	10.7
249.06035	4.7
279.06763	1.5
283.06079	1.9
295.06042	3.7
295.19031	1.1
297.07596	31.3
307.06125	2.0
310.04889	1.9
324.06125	1.8
325.07101	82.0
334.16809	2.7
352.08957	3.0
353.06592	100.0
370.96185	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67107	1.9
53.03952	5.1
53.44131	2.2
55.01861	8.6
55.05514	20.7
57.03439	19.3
57.07065	2.8
61.29582	2.1
67.01856	6.2
67.05183	3.4
67.05514	51.9
68.99789	4.4
69.03431	4.2
69.07082	20.5
70.58901	3.6
70.59252	3.5
71.04979	3.9
71.08640	37.0
74.58179	2.3
77.03934	3.3
79.05502	41.1
81.03399	3.0
81.07070	51.4
83.04970	8.1
83.08615	11.6
85.02917	3.2
85.06533	4.6
91.05494	36.0
93.07058	57.9
95.04957	9.5
95.08051	3.3
95.08621	41.0
97.02885	3.2
97.06529	7.7
97.10172	7.3
98.21433	2.3
99.08096	23.0
105.07033	29.4
106.07370	2.4
106.65955	2.2
107.04948	8.4
107.08602	31.0
109.06500	5.5
109.10155	13.6
111.00833	4.3
111.08108	3.9
113.09686	2.3
115.05487	3.3
117.07019	7.6
119.04927	6.3
119.08589	28.5
121.10162	26.8
123.08099	2.6
127.11166	2.9
128.06223	6.1
129.06970	4.9
131.08575	9.4
133.10143	24.4
135.11723	30.2
137.02422	2.3
137.09587	3.8
139.03906	5.4
141.06970	5.4
142.07741	2.9
143.08563	9.1
145.10088	6.8
147.11714	18.8
148.87785	2.9
149.13252	15.4
151.11162	12.0
153.01851	95.2
153.07030	2.7
154.07735	4.8
155.08582	5.4
156.09341	4.8
157.10123	4.1
159.11711	6.9
161.05974	2.9
161.13272	16.2
163.03830	4.2
163.11186	4.7
165.01851	9.6
165.07001	4.0
166.07793	3.0
167.08528	3.0
169.06535	4.8
169.10150	2.9
171.02840	4.0
171.08147	3.0
171.11725	6.3
173.13243	3.5
175.14810	4.6
179.03433	9.9
179.08545	4.9
179.14320	49.8
181.06526	5.0
181.10141	10.3
182.07333	4.0
183.02919	7.3
183.08040	4.5
184.08786	3.9
185.09608	2.6
185.13252	4.9
187.14850	3.3
189.12740	2.3
197.09636	13.9
199.11205	27.2
202.07814	2.9
207.08003	2.9
211.07599	3.3
211.11171	3.9
212.34920	2.6
221.05989	2.9
221.09558	5.8
223.11235	3.0
225.05312	3.3
225.09012	6.6
232.08701	2.7
235.16910	3.7
239.06984	3.8
239.10765	11.0
241.19557	8.6
245.09528	8.3
247.07622	3.3
249.09230	5.2
251.07030	3.0
253.08400	2.5
259.20563	20.1
263.10635	8.6
265.12323	5.1
266.05887	4.5
267.06485	10.2
273.09140	4.7
277.08295	2.2
277.21677	32.4
279.10056	2.5
287.10684	5.7
289.08594	3.1
290.09341	3.7
291.06851	3.4
291.10202	9.9
295.06024	20.8
295.09036	3.5
300.07864	3.1
301.08719	4.9
303.06628	5.2
305.11679	7.2
307.09760	4.1
315.10190	6.8
317.08041	8.4
318.08792	11.5
333.07254	5.3
333.11230	100.0
334.11658	3.5
351.12256	32.1
351.25360	36.0
365.48178	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.01868	8.4
55.05513	24.5
56.96566	2.5
57.03442	17.3
57.07066	6.9
61.02907	3.6
65.03939	4.2
67.05182	5.1
67.05509	69.3
69.03416	5.6
69.07070	29.6
71.04996	5.7
71.08636	57.5
71.55494	2.4
73.02911	2.8
79.05070	3.5
79.05503	54.0
81.03429	12.0
81.06595	3.4
81.07066	70.1
83.04975	14.7
83.08636	15.8
91.05490	49.1
93.07053	75.2
95.04977	16.8
95.08615	48.2
97.06520	14.4
97.10227	5.3
99.07489	3.3
99.08102	39.7
105.07035	31.6
105.92609	2.7
107.04949	10.0
107.08599	46.0
109.06508	10.1
109.10179	17.4
111.08070	3.1
113.09634	5.3
114.38000	2.5
115.05519	2.7
117.07005	7.8
119.04954	3.1
119.08595	29.6
121.06467	3.5
121.10162	35.7
123.08046	3.5
123.11695	6.5
125.09627	5.7
128.06160	2.6
130.07838	3.2
131.08568	11.7
133.06470	2.6
133.10159	22.0
135.11708	38.5
137.09615	11.0
141.09091	4.7
143.08560	5.1
145.10115	9.4
147.11665	14.5
149.13293	14.8
151.11206	21.1
153.01840	21.9
157.10120	7.5
159.11688	4.3
161.02895	2.8
161.13278	21.0
161.20781	3.0
163.11205	9.8
163.14799	6.0
165.01848	6.4
165.12784	22.8
167.10745	2.9
169.17700	2.6
170.76225	2.9
171.11691	5.6
173.13278	4.2
175.14848	5.8
177.12744	5.7
179.03467	4.6
179.14320	100.0
183.02925	3.8
185.13234	6.8
195.13846	3.3
199.11232	17.6
199.14767	3.1
200.05513	3.0
235.17007	6.1
240.42406	2.6
241.19606	4.4
259.20599	21.2
277.21655	40.7
279.06494	7.4
289.21625	3.2
318.08929	4.5
321.22635	4.5
333.11261	30.3
333.24036	3.6
351.12357	27.1
351.21823	4.4
351.25360	64.3
352.25156	3.3
352.90790	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
55.01862	1.7
55.05511	13.7
56.96568	1.4
57.03440	7.9
57.07061	2.9
64.47009	1.4
65.03934	3.0
65.75755	1.4
66.32059	1.3
67.05506	46.7
68.99792	1.5
69.06781	1.3
69.07070	16.3
69.53481	9.2
71.04982	3.5
72.59070	1.2
77.03942	1.5
79.05498	69.1
81.07061	54.5
83.04996	2.4
83.08619	9.2
85.06570	2.8
91.05481	54.2
93.07047	92.9
95.04967	5.5
95.08613	38.4
97.06526	3.5
97.10171	3.1
99.08102	3.9
105.04515	1.9
105.07030	50.4
107.04947	2.1
107.08597	54.9
109.06497	2.7
109.10168	14.2
111.08066	2.7
113.09676	1.8
115.05442	1.8
117.07002	10.9
119.08585	47.2
121.10152	43.6
121.11035	2.7
123.11716	4.2
128.06279	2.1
129.06985	7.0
130.07726	1.9
131.08571	20.7
133.10144	47.0
135.08064	3.3
135.11693	46.4
137.09657	2.5
142.07753	1.8
143.08614	8.8
145.10114	22.3
147.11694	48.4
149.09631	2.4
149.13271	27.3
151.11154	1.8
153.01857	3.2
157.10158	8.1
159.11697	19.0
161.13269	34.5
163.11148	3.8
163.14807	9.8
165.01857	12.9
171.11707	12.7
173.11824	1.8
173.13235	11.7
175.11201	2.8
175.14835	14.8
177.12724	4.2
183.02911	4.8
185.13271	12.0
185.14745	2.4
187.11266	2.1
187.14810	2.6
189.12814	3.2
189.16327	1.7
195.13725	1.8
195.83342	1.5
197.09680	1.5
199.11252	1.8
199.14804	7.9
203.14415	2.2
207.13792	1.5
213.16441	6.4
217.16045	2.4
217.19615	2.4
218.38708	1.3
227.07076	3.2
231.06558	3.3
231.17523	2.9
231.21059	9.6
241.19537	33.0
249.29286	1.6
259.20587	100.0
260.21057	1.5
261.22107	1.8
277.21606	16.4
299.22253	1.8
333.11240	4.6
333.17831	2.0
333.24246	9.7
351.12271	4.3
351.18552	3.4
351.25330	65.3
369.19479	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	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20141	4.4
53.03955	4.0
55.01865	15.2
55.05515	38.1
55.82119	4.7
56.96566	18.3
57.03445	28.7
57.07080	6.2
65.03946	6.9
67.05517	78.8
69.03435	7.4
69.07072	36.5
69.98111	6.2
69.98506	16.6
71.05006	12.9
71.08649	33.3
71.08987	7.0
77.82263	4.2
79.05068	5.6
79.05508	71.3
79.74547	4.3
81.03443	6.0
81.07068	80.6
83.04980	9.5
83.08636	26.7
83.82943	4.5
85.06564	8.2
85.75012	4.7
91.05500	56.1
93.07055	100.0
95.04982	13.9
95.08617	59.6
97.06549	14.6
97.10184	7.2
98.21487	6.2
99.08107	22.7
105.07040	48.8
107.04969	12.7
107.08601	52.5
109.02956	4.2
109.06573	6.5
109.10175	27.9
117.07059	17.6
119.04904	6.0
119.08607	42.9
121.10174	32.5
123.08083	5.2
123.11723	7.3
129.07033	8.8
131.08615	19.1
133.10143	36.5
135.08061	42.6
135.11702	32.2
137.05997	8.7
139.11160	4.5
143.08600	16.3
145.10164	16.7
147.11720	27.7
149.02388	7.2
149.09541	4.7
149.13264	17.9
150.67854	4.8
151.11189	12.7
153.01863	46.7
155.08505	4.5
157.10167	7.6
159.11729	10.9
161.13242	26.9
163.07506	5.1
163.11249	6.0
163.14906	5.3
167.08522	5.7
171.11882	10.5
173.11768	4.6
173.13280	7.5
175.14874	12.8
177.12762	5.8
179.03429	10.2
179.14302	39.6
185.13351	8.7
187.14836	6.1
189.01837	26.7
189.05557	8.4
197.09645	10.4
199.11264	15.8
206.94211	5.8
207.02948	10.3
231.06508	79.1
231.21246	5.2
234.50075	5.2
241.19585	17.0
249.07571	32.9
255.09093	5.5
259.20602	48.5
269.10779	8.0
277.21671	37.9
281.11963	4.9
309.11322	6.2
317.08362	7.7
318.08929	5.5
333.11246	57.2
333.17325	11.3
333.24380	5.2
351.12213	32.1
351.18311	13.3
351.21442	14.9
351.25244	58.5
369.19345	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.01851	2.2
55.05312	1.4
55.05517	16.8
57.03438	11.1
57.07075	4.2
61.51677	1.6
64.23248	1.8
65.03942	3.0
66.20089	1.4
67.05508	55.0
69.07068	14.6
69.33523	15.2
71.04971	4.1
71.08625	2.5
71.34305	1.7
75.04487	2.9
79.05497	73.7
81.07060	53.6
83.04955	2.9
83.08631	9.6
85.06538	4.0
91.05489	60.5
93.07050	100.0
94.07293	1.9
95.04972	7.3
95.08608	43.0
97.06516	4.5
97.10155	3.2
98.20743	2.5
99.08073	6.5
105.04539	1.9
105.07040	61.0
107.04977	2.2
107.08604	59.8
109.06528	2.5
109.10173	15.5
113.09660	2.7
117.07007	14.0
119.08584	55.8
121.10145	48.8
123.11708	4.6
129.07016	7.4
130.07797	2.3
131.08583	22.4
133.10132	45.7
135.08073	1.9
135.11703	46.1
139.11122	1.8
143.08578	10.2
144.09375	2.1
145.10136	19.4
147.11697	51.7
149.09715	2.6
149.13280	33.7
151.11238	2.8
157.10141	12.9
159.11702	21.1
160.63164	2.1
161.13274	36.5
163.11198	3.5
163.14847	11.4
165.12808	2.1
170.01476	1.7
171.11690	14.3
173.13303	9.8
175.11203	2.4
175.14828	21.4
177.12743	2.4
179.14331	3.8
185.13257	19.3
187.14883	5.6
189.12651	2.3
195.13840	2.4
199.14868	6.9
201.16675	1.7
203.14351	2.3
213.16388	4.6
215.17857	2.1
217.19536	5.4
231.06651	6.1
231.17389	2.0
231.21091	9.4
241.19524	37.2
241.21742	3.3
259.20596	95.6
277.21671	15.0
333.24139	12.3
334.24872	1.8
351.25342	62.2
351.29675	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.8
53.03944	3.6
55.05515	17.5
55.45697	1.8
56.96569	3.6
57.03436	6.5
57.07070	3.2
65.03934	2.2
66.50307	2.0
67.05510	49.0
69.07077	13.3
70.59812	4.8
71.05005	1.9
71.08659	1.9
75.04476	2.5
79.05501	64.2
81.07067	49.7
83.00114	1.7
83.05000	1.9
83.08629	5.9
85.06520	2.4
91.04910	2.3
91.05488	64.6
93.07051	71.0
95.04964	4.1
95.08615	34.7
97.06552	2.8
97.10164	3.9
99.08095	4.8
105.04551	1.9
105.07035	62.0
107.04984	2.6
107.08604	49.2
109.06532	2.7
109.10174	13.1
111.08060	2.1
113.09665	2.6
117.07035	12.0
119.08595	56.8
121.06506	2.3
121.09317	3.4
121.10154	38.0
123.11726	4.1
129.07040	8.0
131.08574	20.5
133.10147	48.3
133.41927	1.6
135.08076	5.0
135.11710	37.0
143.08578	10.1
145.10138	25.6
147.11705	49.9
149.09596	2.6
149.13254	25.0
156.09457	1.8
157.10147	10.3
159.11694	22.8
161.13275	41.2
163.11136	1.9
163.14838	6.5
165.01866	2.0
165.12766	2.0
171.11719	16.9
173.13257	10.9
175.14827	16.2
177.12773	4.3
185.13307	16.2
187.14897	3.6
189.01968	1.8
189.12790	2.5
199.14854	7.2
203.14307	1.8
213.16423	2.8
214.38783	1.6
215.17950	2.1
217.19557	2.2
231.06506	4.3
231.21071	8.0
241.19545	32.1
249.07579	2.3
259.20593	100.0
260.20972	2.2
277.21658	6.9
333.17514	2.1
333.24255	2.6
351.12286	2.9
351.18323	6.2
351.25345	57.6
369.19458	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	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.7
55.01865	2.6
55.05517	16.5
56.96568	2.8
57.03439	5.8
57.07083	3.7
65.03954	2.2
67.05511	49.1
69.03429	3.0
69.07072	14.2
70.12985	4.6
71.04994	3.7
71.08635	2.3
75.04490	3.4
79.05502	56.3
81.03415	2.0
81.07066	50.1
83.04982	4.0
83.08628	8.1
85.06526	3.3
91.05491	65.9
93.07052	73.5
95.04975	5.3
95.08620	34.2
97.02937	1.8
97.06521	4.2
97.10197	3.2
98.20863	2.7
99.08099	4.1
99.75698	1.7
102.23829	1.6
105.04517	2.6
105.05582	2.0
105.07040	64.0
106.07352	1.9
107.04991	2.1
107.08611	36.6
108.92142	1.8
109.06474	2.7
109.10158	12.7
117.07016	13.4
117.36855	1.9
119.08588	56.1
121.10165	34.4
122.96865	1.9
123.11722	4.4
125.09606	2.1
128.06221	2.4
129.07019	12.5
131.08589	23.3
133.10149	54.2
135.08095	2.7
135.11708	29.7
143.08601	11.7
145.10123	20.4
147.08049	2.2
147.11699	45.8
149.02359	2.0
149.09596	3.0
149.13269	18.1
151.11180	3.1
157.10127	13.8
159.11702	20.9
161.13275	43.0
163.11177	3.3
163.14790	9.3
165.12796	2.0
169.10187	1.9
171.11716	15.1
173.13208	10.2
175.14880	19.3
177.12720	2.9
179.14482	1.9
181.06415	2.5
185.13286	12.6
187.14771	4.2
189.12804	4.4
199.14845	8.5
201.16420	2.3
211.75087	1.6
213.16447	4.2
217.19591	3.1
227.07103	10.7
231.06599	2.7
231.21033	8.7
241.19557	35.2
259.20609	100.0
261.22055	2.4
277.21774	4.4
301.72302	1.6
316.51956	1.8
333.24109	2.7
351.19067	3.8
351.21127	3.2
351.25388	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.4
55.05503	20.3
56.96553	12.6
57.03426	6.2
57.07073	6.5
61.02932	5.7
64.72368	5.1
65.03930	6.1
67.05234	4.8
67.05514	53.3
69.07070	20.5
69.52612	7.6
69.53017	26.0
71.04986	5.6
79.05502	64.2
81.07069	69.8
83.08621	14.0
85.06541	6.3
91.05489	70.7
93.07059	84.8
95.04979	7.1
95.08615	36.3
97.02924	6.3
97.06489	6.8
99.08084	5.3
105.07046	66.1
107.04967	6.1
107.08608	58.5
109.10155	12.4
117.07020	14.8
119.08588	63.6
121.10146	37.2
129.06999	10.5
131.08604	30.3
133.10135	51.9
135.11713	37.8
142.07765	5.2
143.08551	12.8
145.10126	25.2
147.11705	42.8
149.02353	8.7
149.13260	21.5
157.10123	10.9
159.11703	22.9
161.13287	34.6
163.11195	4.6
163.14810	6.8
165.12718	6.1
167.03384	17.5
171.11765	14.7
173.13249	13.5
175.11176	6.0
175.14813	21.8
185.13275	16.5
185.23750	4.4
199.14787	7.4
213.16373	5.1
231.06551	6.9
231.21103	7.7
241.19521	34.2
259.20590	100.0
269.08063	6.1
277.21677	12.5
333.20477	9.0
333.24323	7.4
351.12793	4.2
351.21497	50.9
351.25320	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	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.9
55.01864	3.4
55.05513	26.4
56.96564	1.7
57.03444	45.1
57.07071	6.7
65.03925	4.0
67.05511	76.2
69.03423	3.6
69.07076	29.2
70.05166	7.3
71.04977	6.5
71.08624	6.4
73.06577	1.8
79.05500	80.7
81.03408	3.1
81.07066	87.3
83.04977	5.5
83.08617	16.5
85.06534	5.9
86.31053	1.7
91.05488	61.4
93.07057	100.0
95.04984	9.2
95.08616	61.6
97.06538	9.1
97.10165	7.3
98.97594	2.0
99.08089	7.8
105.07032	61.5
107.04938	2.9
107.08602	62.9
108.08982	1.9
109.06524	4.8
109.10168	28.4
111.08073	7.8
117.07040	11.4
119.08596	45.6
121.10152	53.1
123.08039	4.3
123.11699	5.5
125.09637	6.6
129.07008	4.9
131.08556	20.7
133.10147	45.3
135.08078	3.7
135.11711	41.4
137.09642	5.1
139.11142	2.2
143.08554	7.5
145.10139	24.0
147.11699	40.0
147.91719	1.8
149.09627	4.3
149.13280	25.3
151.11124	3.8
157.04774	1.9
157.10143	6.6
159.11710	14.8
161.13290	31.6
163.11183	4.1
163.14804	6.3
165.12726	4.1
171.11700	10.0
173.13274	12.0
175.14853	11.0
177.12764	2.2
177.16383	2.5
179.14316	2.5
183.20107	1.8
185.13278	13.5
187.14853	11.6
189.12735	4.1
191.14572	2.1
199.14851	8.4
201.16382	2.7
203.14487	2.4
203.18034	3.0
205.15884	6.3
213.16470	2.5
215.17935	1.8
217.15929	3.4
217.19525	3.1
219.56891	1.9
221.15437	2.4
221.19005	4.3
231.17627	2.3
231.21053	4.7
241.19537	21.5
257.10617	1.8
259.20627	61.7
269.10599	3.2
277.21640	27.1
333.24335	5.4
351.21698	4.7
351.25323	82.1
352.25464	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.1
54.87683	1.8
55.05510	20.5
56.31536	1.7
56.96566	3.7
57.03425	8.3
57.07084	3.9
67.05510	50.7
69.03427	2.0
69.07075	14.4
71.04974	2.3
73.02913	2.2
75.04499	2.3
77.03897	2.3
79.05498	73.2
81.07062	58.8
83.05004	2.6
83.08623	12.6
84.38756	2.0
85.06552	4.6
91.05486	61.9
93.07049	90.1
95.04962	5.8
95.08054	3.8
95.08611	45.3
97.06544	4.5
99.08099	6.4
105.04521	4.1
105.07035	69.3
107.08600	54.3
109.06491	2.4
109.10164	15.9
112.99286	1.7
113.09647	2.0
117.07030	18.0
119.08588	56.6
121.06477	2.1
121.10151	41.4
123.08056	1.9
123.11676	5.2
125.09617	2.4
129.07027	11.5
131.08556	25.2
133.10146	52.4
135.08119	2.8
135.11696	53.3
137.09615	3.5
143.08603	11.4
145.10126	26.3
147.08018	2.5
147.11687	53.0
149.02335	3.8
149.09625	5.1
149.13280	25.1
157.10152	11.8
159.11708	20.1
161.13248	45.6
163.11189	4.1
163.14815	7.7
167.03546	2.6
171.11707	19.0
173.13246	10.5
175.11234	4.0
175.14813	21.8
177.12749	5.6
177.16377	3.3
185.13258	14.7
187.14803	5.1
189.12790	3.8
189.16382	2.6
193.12244	2.1
199.14874	9.9
200.15385	1.7
202.80699	2.0
203.07082	3.3
203.14276	1.9
207.13750	2.3
213.16328	3.2
215.17909	2.4
217.19533	8.1
229.09314	2.2
231.17526	4.1
231.21170	12.5
234.01831	1.8
241.19527	38.6
259.20593	100.0
277.21622	15.7
333.24255	8.1
349.99722	2.1
351.21335	16.8
351.25327	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.2
53.00297	0.4
53.03959	0.1
59.63911	0.1
65.03941	24.7
66.04260	0.2
69.98561	0.1
69.98953	0.2
77.03928	0.5
79.01875	0.3
83.04971	0.5
91.05466	0.2
93.03407	15.5
93.07038	0.1
94.03742	0.1
95.04984	0.1
95.08638	0.1
103.05504	0.1
105.03390	0.8
107.00715	0.1
107.01353	0.3
109.02844	0.1
121.06504	1.1
133.02846	0.2
139.62666	0.1
147.04474	0.1
147.08031	0.7
151.03886	0.2
151.35980	0.1
159.04477	0.1
160.08894	0.1
161.02328	8.4
175.03918	0.3
177.05455	0.4
179.03397	100.0
180.03716	1.1
181.03920	0.2
193.04959	0.5
199.07576	0.1
205.04961	0.1
217.08604	23.9
218.08946	0.4
235.09653	29.8
236.10040	0.5
237.10240	0.1
253.08632	0.3
277.08661	0.3
295.09659	17.1
296.10052	0.3
309.14691	0.3
313.10721	0.3
351.15909	10.0
352.16171	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2144
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
54.86977	0.9
66.13360	0.9
67.05507	1.6
69.07063	1.4
70.35626	1.8
79.05505	1.6
81.07043	3.1
91.05493	1.4
93.07034	1.5
95.08632	1.2
98.97612	1.4
105.07022	1.9
107.08612	1.4
109.10206	0.8
119.08620	1.2
120.94007	0.9
121.55449	1.0
139.04103	1.1
152.42375	1.0
195.82954	0.8
215.11400	1.9
253.12877	2.2
333.19394	1.9
336.33575	1.2
351.21451	100.0
352.21512	1.6
357.08029	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.9
56.96560	2.6
65.03935	1.9
67.05507	7.9
68.04995	1.7
69.03426	7.2
69.07056	6.3
69.27656	10.6
69.28066	3.3
70.06596	2.7
71.05006	1.9
73.16294	1.4
79.05494	4.4
80.05018	2.9
81.03410	2.2
81.07017	2.3
83.31611	1.5
84.04478	1.8
84.08151	2.1
85.02907	2.6
86.09714	3.4
91.05496	3.3
93.07024	2.5
94.06573	19.1
95.04971	5.8
95.08604	3.2
96.04473	1.8
97.02929	2.0
97.06556	1.9
98.97587	4.6
105.07027	2.7
107.04971	2.3
107.08572	2.9
110.06027	1.8
111.04456	4.4
112.07591	3.4
113.06000	3.1
119.08501	1.5
120.08130	4.0
121.02872	5.2
121.06547	1.8
122.06042	51.3
124.03970	3.9
125.04291	2.6
131.07344	2.0
132.08069	1.8
134.06004	4.0
134.09645	1.8
135.04434	24.0
136.07539	3.7
138.05539	2.0
139.03958	1.9
140.07080	67.0
144.08113	2.2
145.02895	1.7
145.08890	4.4
148.07564	6.9
149.06000	3.1
150.09187	2.4
153.05458	2.9
153.07277	1.8
155.10738	2.5
160.11211	10.9
162.05453	1.5
162.09142	2.2
166.08669	6.7
167.07172	6.0
175.08714	1.9
178.12338	3.9
186.09187	2.4
188.10735	18.0
194.08160	8.5
199.06276	4.4
200.07080	4.4
200.10687	2.7
202.08673	3.8
204.10229	5.3
206.08835	4.0
206.11774	33.0
210.09204	6.3
212.07140	2.8
212.10864	1.8
213.07867	6.3
214.08826	1.9
215.09302	2.0
216.10207	4.3
226.08691	8.3
228.10207	30.9
232.09692	22.2
238.08652	1.9
242.72845	1.7
246.11267	5.6
256.09705	19.0
259.05966	2.6
259.10605	2.5
274.10773	100.0
287.05621	2.3
287.10294	1.7
287.13928	3.3
288.12326	30.0
291.05090	1.9
291.13409	9.3
292.11804	44.2
301.11758	2.2
302.09039	4.1
303.09644	2.4
305.06711	2.7
306.13422	15.2
308.16153	3.3
319.12936	38.5
333.06396	2.1
333.10779	13.0
333.14435	3.4
337.13965	9.3
351.08234	18.4
351.15244	2.8
351.19196	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	351.123
Annotation	Semiglabrinol
Peak:m/z	Relative Intensity
55.01873	3.3
65.03936	1.2
65.39873	0.3
67.01868	4.4
67.05505	1.5
68.99436	0.6
68.99793	7.0
69.03435	3.0
69.07071	0.4
70.67093	0.8
70.67433	0.4
71.01354	0.9
74.70017	0.3
77.03922	0.4
79.01846	0.9
79.05487	1.0
81.03403	0.9
81.07061	0.9
83.01365	0.4
83.04975	0.7
85.02903	0.6
87.11533	0.3
91.05482	3.9
92.82434	0.3
93.03385	0.6
93.07045	1.4
94.68970	0.4
95.04950	0.8
97.02882	1.9
103.05480	0.5
105.07038	3.3
105.50348	0.3
107.05027	0.7
109.02859	0.4
109.06541	0.5
111.00798	2.1
111.04423	0.9
115.05472	1.8
116.06217	0.4
117.07017	1.4
119.04953	7.5
119.05836	0.4
119.06158	0.4
119.08590	0.4
120.15293	0.4
121.02873	1.0
121.06541	0.8
123.04449	2.5
125.02388	0.6
127.03929	1.0
127.05414	0.4
128.06218	4.2
129.06995	3.1
131.04953	0.7
131.08546	1.2
133.06483	0.5
137.02365	0.9
139.03897	4.2
141.06985	4.1
142.07806	3.5
143.08560	5.4
144.05733	0.4
145.06438	1.8
145.10144	0.7
147.04384	0.6
151.03941	1.1
152.06255	0.6
153.01837	99.4
153.06964	3.5
154.02162	0.6
154.07791	3.4
155.03401	1.4
155.08563	4.2
156.09344	4.1
157.06473	2.0
157.10155	1.5
158.07271	0.9
159.08060	0.6
161.06036	0.9
163.03905	2.2
165.01846	15.5
165.07002	5.7
166.07819	3.5
167.08571	1.9
168.05794	0.6
168.09341	1.6
169.06508	2.7
169.10129	2.6
170.07233	0.4
171.02856	1.9
171.08089	3.0
171.11676	2.5
173.05980	0.7
173.09714	0.7
177.07068	0.4
178.07834	3.3
179.03418	7.1
179.08566	5.2
180.09299	0.7
181.06522	3.4
181.10112	9.2
181.11615	0.6
182.07266	3.7
183.02901	6.0
183.08061	3.6
184.08867	3.7
185.06013	1.1
185.09613	1.3
186.10448	0.5
187.11200	2.0
189.07051	0.9
190.07800	0.6
191.08604	1.0
192.09375	0.8
193.06583	0.7
193.10127	2.3
194.07332	0.4
195.08047	2.4
195.11650	0.3
196.08830	1.2
197.05960	1.8
197.09634	10.0
199.07611	1.9
199.11188	30.6
200.11435	0.4
201.05502	1.2
202.07710	1.7
203.08571	1.3
204.09273	0.5
205.04846	0.6
205.06537	1.1
205.10272	0.8
206.07312	1.1
207.08040	2.5
207.11723	0.5
208.08865	1.2
209.06003	1.0
209.09607	1.4
210.06795	1.1
211.07584	3.3
211.11188	1.6
213.05505	1.2
215.08633	1.4
216.09331	1.0
217.10243	1.7
218.07227	0.8
219.08034	2.1
219.11685	0.7
220.08842	2.2
221.06122	2.6
221.09610	7.4
222.06880	0.4
222.10373	0.4
223.07574	1.5
223.11194	1.2
224.08334	1.1
225.05545	1.3
225.09116	3.7
226.07855	1.0
227.06926	0.5
227.10834	0.7
229.10117	1.2
230.07333	0.8
231.08047	2.0
231.11679	0.4
232.08855	1.3
233.05998	0.5
233.09668	1.1
234.06758	1.7
235.07658	2.4
235.11267	3.2
237.05574	0.8
237.09102	1.0
237.12762	0.5
238.06366	0.6
239.10670	7.8
241.10139	0.8
243.08099	0.7
244.08833	1.0
245.09654	5.2
246.10391	0.5
247.07523	3.1
247.11234	2.0
248.08322	3.4
249.05373	0.6
249.09116	5.0
250.06314	1.3
250.09943	1.0
251.03239	0.4
251.07030	2.4
252.07605	0.4
253.12376	0.8
255.08162	0.4
258.06796	0.8
259.07620	0.7
259.11127	1.6
261.05496	0.4
261.09158	1.7
262.06329	0.5
262.09930	1.6
263.07123	3.4
263.10712	6.6
264.07819	1.1
264.11310	1.0
265.08716	2.1
265.12286	4.0
266.05740	1.1
266.09473	0.5
267.06583	0.6
267.10126	0.7
269.09610	2.5
271.07724	1.8
272.08237	2.1
273.09152	2.5
274.06409	0.5
275.07074	3.1
275.10498	0.6
276.07928	2.3
277.05273	0.4
277.08597	1.8
277.12085	0.9
279.06897	0.7
279.10153	1.5
281.08838	0.5
281.11743	3.3
285.09250	0.6
287.07425	0.5
287.10657	5.4
289.08627	4.7
289.11743	0.4
290.09387	3.4
291.06598	3.4
291.10196	7.6
292.10611	0.5
293.08133	0.7
294.08817	0.3
295.06104	1.0
295.09647	0.5
297.09140	1.4
298.09933	0.6
300.07764	2.2
301.08603	5.7
303.06659	3.6
303.09918	0.6
304.07297	1.0
305.08145	1.4
305.11749	5.6
307.09769	3.3
307.13101	0.8
309.07700	0.8
309.11240	2.5
311.78622	0.5
314.09332	0.6
315.10147	8.3
316.10925	0.5
317.08081	8.1
318.08896	12.5
323.09262	0.4
331.09842	0.7
333.11224	100.0
334.11469	1.8
335.44208	0.4
336.09924	1.0
351.12299	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	351.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58253	1.0
53.55495	1.0
55.01859	1.0
55.05510	1.5
55.13251	1.1
56.96553	1.3
67.05496	2.9
69.03412	3.6
69.07046	1.8
69.47594	8.4
71.04999	1.2
76.74883	1.0
78.88620	1.0
79.05473	2.5
81.03408	1.7
81.07048	4.2
85.02888	1.5
91.05487	6.8
93.07029	2.5
95.04948	1.8
95.08602	2.4
97.02885	1.3
97.06554	1.0
98.21577	1.8
98.97593	1.8
99.04456	1.8
103.05473	1.2
105.03403	1.0
105.07053	5.6
107.04979	1.7
107.08603	2.8
109.02878	1.5
109.06520	1.4
109.10103	1.9
119.04922	3.3
119.08537	2.6
121.10184	1.8
123.08013	1.2
123.11744	1.4
131.04842	1.6
131.08557	1.4
133.06534	1.2
133.10127	4.8
135.04364	1.2
137.05959	1.8
139.11127	1.4
145.10159	2.5
147.04401	3.4
147.08038	1.5
149.09612	1.7
161.09615	4.3
170.31740	1.0
171.11688	1.0
175.03883	4.1
189.06960	1.7
189.09128	1.1
190.07823	2.6
191.08551	2.2
202.07817	7.6
203.08562	3.8
205.06503	4.1
205.12225	2.2
206.07130	1.1
207.06543	8.3
211.89656	1.0
215.08585	2.3
218.07219	3.5
219.08096	8.7
220.08752	3.4
229.06506	2.0
230.07274	7.7
231.08069	13.2
232.08833	3.6
233.05949	3.8
233.09644	1.6
234.06818	3.1
235.07416	1.7
242.07375	1.4
243.08037	1.5
245.06007	2.8
246.06793	6.1
247.07596	9.6
248.08307	10.6
249.08986	1.8
258.06772	6.2
259.07562	8.1
260.08325	4.7
261.05420	6.0
261.09009	2.8
262.06213	1.9
263.10651	3.7
265.08627	3.7
266.14111	1.1
273.09128	20.6
274.06189	3.5
275.06924	7.0
276.07843	19.8
277.08548	6.4
282.78494	1.1
287.06952	1.8
289.04987	4.5
289.08551	8.5
290.05991	1.9
290.09354	12.6
291.10220	14.6
293.08115	4.1
301.08572	10.7
304.07333	13.8
305.08112	11.3
308.10330	1.4
318.08920	2.7
319.09671	100.0
320.10382	17.5
321.07697	1.3
323.09061	1.2
323.12796	1.9
336.09995	3.8
351.08609	3.5
351.12256	41.7
351.18631	1.9
367.84326	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
55.05486	1.1
56.96549	1.7
67.05515	1.6
69.03429	1.5
69.07064	1.1
71.55753	1.1
74.98489	0.8
79.05497	1.3
81.03384	0.9
81.07043	1.6
82.25163	0.7
84.04488	1.0
85.02901	1.1
88.44028	0.7
91.05463	3.8
93.07042	1.1
95.08608	1.5
97.02890	1.7
98.97565	1.5
105.07024	3.4
107.04913	1.2
107.08578	1.7
117.06957	0.9
119.04964	0.9
119.08607	1.1
127.03919	1.0
131.04962	1.2
133.10094	2.8
137.06004	1.1
143.08548	0.8
147.04436	1.1
147.08041	0.9
147.11765	0.9
161.05925	1.1
161.09572	2.6
181.12070	0.8
189.07039	2.3
189.09103	1.2
190.07790	3.2
190.82619	0.8
191.08557	2.4
202.07814	8.7
203.08641	4.1
205.06554	3.7
206.07294	1.2
215.08540	2.9
217.06569	1.1
218.07208	3.9
219.08130	7.2
220.08891	4.7
222.70360	0.8
230.07272	8.0
231.08078	11.9
232.08791	2.8
233.05966	3.8
233.09624	1.2
234.06726	1.8
235.10976	1.2
237.09161	1.1
242.07356	1.4
243.07994	1.3
245.05965	1.8
245.09636	1.7
246.06772	4.9
247.07593	11.2
248.08340	10.0
249.09163	1.9
250.06142	1.1
251.02072	0.9
258.06775	4.7
259.07550	8.5
260.08426	5.5
261.05560	4.8
261.09048	3.1
262.06265	1.8
263.10718	3.5
265.08585	2.2
273.05838	1.5
273.09109	18.6
274.06241	2.4
275.07077	6.4
276.07828	18.5
277.08533	6.7
287.07089	2.7
288.07861	0.9
289.05066	2.6
289.08585	9.3
290.06012	1.7
290.09384	14.3
291.07019	1.5
291.10156	14.0
292.10944	1.3
293.08017	3.6
301.08569	10.7
303.06314	1.2
304.07300	13.8
305.08072	9.6
305.65479	1.0
308.10553	1.2
318.08945	1.9
319.09671	100.0
320.10382	14.1
321.07535	1.3
323.12775	1.7
336.09991	2.9
351.08694	2.6
351.12289	38.0
352.12521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1229
Annotation	Semiglabrinol
Peak:m/z	Relative Intensity
53.03945	2.2
54.35983	1.2
55.01872	4.6
55.05513	3.7
57.03434	4.1
57.07078	1.1
61.02911	1.3
65.03957	1.4
67.01867	4.1
67.05508	14.5
68.99786	6.4
69.03436	2.4
69.07061	4.7
71.01355	1.4
71.08635	7.3
79.05495	12.4
81.03432	2.9
81.07060	15.6
83.04989	1.7
83.08616	2.6
85.06552	1.2
91.05490	9.7
93.07048	13.6
95.04961	2.6
95.08614	7.6
97.02894	2.4
97.06539	1.9
98.20713	1.9
99.08077	5.8
105.07033	8.5
107.04971	2.2
107.08585	7.0
109.06506	2.0
109.10168	3.3
111.00813	2.1
111.08102	1.0
115.05472	2.8
117.07031	2.8
117.15055	0.9
119.04954	9.2
119.08570	6.1
121.02937	1.2
121.10143	6.0
123.04453	2.7
123.08037	1.0
123.11718	1.3
128.06239	4.0
129.06999	3.9
131.08556	3.6
133.03484	1.8
133.10130	5.9
135.11699	7.5
137.02327	1.4
139.03883	4.5
141.07007	3.8
141.09134	0.9
142.07791	2.4
143.08560	5.9
144.05692	0.9
145.06503	1.2
145.10143	2.8
147.04518	0.8
147.11710	3.6
149.02313	0.9
149.13254	2.4
151.11195	2.5
153.01834	100.0
153.07014	3.7
154.02191	1.6
154.07794	3.7
155.03398	1.8
155.08575	3.9
156.09361	4.0
157.06520	2.1
157.10127	2.4
158.07303	1.8
159.08105	1.1
159.11726	1.5
161.06003	1.4
161.13268	2.7
163.03931	2.8
165.01843	13.1
165.03084	1.2
165.06979	4.7
165.12758	1.2
166.07785	3.8
167.08554	2.3
168.09338	1.6
169.06497	2.6
169.10127	3.0
171.02936	2.5
171.08070	3.5
171.11713	3.4
173.05937	1.0
178.07796	2.4
179.03418	8.3
179.08585	5.6
179.14313	13.5
181.06593	2.5
181.10123	9.2
182.07298	2.9
183.02928	6.5
183.08096	3.5
184.08824	4.0
185.09622	1.5
185.13261	1.0
187.11243	1.7
191.08589	1.6
193.06604	1.1
193.10167	2.6
195.08128	1.9
196.08788	1.4
197.05869	2.2
197.09625	10.8
199.07483	2.3
199.11182	34.0
201.05461	1.4
203.08560	1.2
205.04889	1.0
207.08098	2.6
211.07562	2.1
211.11179	2.3
213.05516	1.4
216.09499	1.0
217.10246	1.1
219.08165	1.4
220.08812	2.4
221.06136	2.0
221.09627	5.7
223.07619	1.1
223.11153	1.2
225.05498	1.3
225.09053	4.2
227.10616	1.3
229.10080	1.7
231.08171	1.8
232.08998	1.5
233.09657	1.5
234.06705	1.8
235.07518	1.9
235.11269	3.0
235.16780	1.1
239.07080	1.7
239.10684	7.1
241.19601	1.6
245.09627	5.7
247.07527	4.3
247.11165	1.7
248.08270	3.1
249.09129	4.7
250.06223	1.6
251.07111	1.9
258.06851	1.0
259.07260	1.0
259.11237	1.8
259.20499	4.9
262.09897	1.8
263.07330	2.0
263.10696	6.9
264.11469	1.1
265.08725	1.6
265.12231	3.8
266.05753	1.3
267.06534	2.1
269.09744	1.0
272.08237	1.9
273.09140	2.1
275.07043	2.5
276.07779	2.5
277.08627	1.2
277.21664	8.0
279.10187	1.3
281.11703	3.9
287.07379	1.1
287.10706	6.5
289.08618	3.4
290.09326	2.9
291.03610	1.0
291.06598	3.3
291.10190	9.2
293.08014	1.0
295.06033	5.6
300.07849	1.9
301.08606	6.0
303.06552	3.3
305.08362	1.3
305.11655	5.7
307.09653	3.2
309.11206	2.6
315.10199	7.6
317.08157	7.7
318.08881	10.4
321.22803	1.7
331.09686	1.2
333.11227	96.6
334.11502	2.3
351.12253	15.0
351.16327	1.0
351.25259	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	351.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56269	0.9
52.81763	0.8
53.03930	1.0
53.08440	0.9
55.01874	5.3
55.05501	2.9
56.96558	3.0
57.03428	1.5
62.10556	0.8
63.58297	0.8
65.03956	0.8
67.01868	4.1
67.05502	8.1
68.99797	6.4
69.03419	3.6
69.07061	3.8
69.16369	0.8
71.01355	0.8
71.08604	1.6
71.55615	1.4
79.05494	5.9
81.03383	1.1
81.07058	8.1
83.04986	1.2
83.08625	1.1
84.26163	0.9
85.02892	1.9
91.05480	5.7
93.07060	6.1
95.04953	1.8
95.08597	3.2
97.02874	2.6
97.06519	1.0
99.08105	1.4
105.07023	5.4
107.08581	3.6
109.06551	1.6
109.10163	3.2
111.00790	1.4
115.05469	1.8
116.98653	0.8
117.07026	2.4
119.04961	8.2
119.08582	3.2
121.02901	1.1
121.10133	2.1
123.04417	2.8
125.02345	1.8
128.01482	0.9
128.06213	4.5
129.06987	4.3
131.00224	1.7
131.04913	1.3
131.08539	2.4
133.10187	2.2
135.08148	1.1
135.11656	1.9
137.05974	2.0
139.03903	4.0
141.06955	3.8
142.07755	2.9
143.08569	5.7
145.06531	1.0
145.10075	2.0
147.03130	1.0
147.04430	1.4
147.11685	2.3
149.01225	1.9
149.02339	3.4
149.13268	1.4
150.17433	0.9
150.33098	0.9
151.03944	1.0
152.06248	1.6
153.01839	99.6
153.06967	3.5
154.07785	3.4
155.03395	1.9
155.08548	5.3
156.03592	2.1
156.09314	3.0
157.06535	2.0
157.10146	1.7
159.08054	1.0
159.11737	1.7
161.06061	1.2
163.03880	2.9
165.01843	9.7
165.06987	6.1
166.07800	3.1
167.03416	2.9
167.08603	1.7
168.09415	1.2
169.06502	1.9
169.10136	3.3
171.02919	2.9
171.08038	4.2
171.11726	3.0
173.06000	1.2
173.09576	1.3
178.07777	3.6
179.03395	8.1
179.08545	5.1
179.14326	1.8
180.09152	1.1
181.06540	3.2
181.10123	9.4
182.07268	3.7
183.02881	7.3
183.08028	3.6
184.08875	5.4
185.09589	1.7
187.11195	1.9
193.06520	1.3
193.10185	2.3
195.08099	2.1
197.05898	1.3
197.09616	12.0
199.07512	1.8
199.11192	37.2
201.05475	1.4
202.07796	2.4
205.04776	1.0
205.06476	1.5
205.10088	1.1
206.07271	1.2
207.08037	2.6
209.06065	1.3
210.06686	1.2
211.07501	2.7
211.11136	1.9
213.05504	1.5
215.08580	1.0
216.09286	1.4
217.10199	1.8
219.08089	2.5
220.08849	2.2
221.05995	1.8
221.09547	5.9
225.05499	1.3
225.09090	4.0
229.10152	1.4
231.06386	1.4
233.09526	1.2
235.07605	2.5
235.11169	2.2
237.09198	1.3
239.07033	1.7
239.10652	10.9
243.07942	0.9
244.08865	1.7
245.09625	6.2
247.07578	2.8
247.11163	2.3
248.08325	3.0
249.05475	1.7
249.09206	4.7
250.06119	1.7
251.07040	2.1
259.11096	1.8
259.20523	2.4
261.09091	1.5
262.09781	1.9
263.06979	3.2
263.10593	4.8
265.08685	2.2
265.12262	4.0
266.09186	0.9
269.09659	1.7
270.13098	2.9
271.07626	1.8
272.08243	1.8
273.09177	2.6
275.07114	2.6
276.07840	2.6
277.08640	2.0
277.11914	1.6
277.21606	1.4
279.09952	1.1
281.11758	3.5
283.13342	1.2
284.00244	1.0
287.10638	7.8
289.08557	3.7
290.09567	4.4
291.06638	2.3
291.10159	10.3
297.09033	1.7
300.07819	2.1
301.08682	4.7
303.06595	3.8
305.08163	2.3
305.11685	5.6
307.09598	3.2
309.11176	1.9
315.10141	7.9
317.08142	8.6
318.08853	12.9
325.10651	0.9
333.11227	100.0
334.11450	3.1
336.09891	1.1
344.97543	1.2
351.12173	17.6
351.15759	1.4
351.21576	1.2
351.25531	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1229
Annotation	Semiglabrinol
Peak:m/z	Relative Intensity
52.56269	0.9
52.81763	0.8
53.03930	1.0
53.08440	0.9
55.01874	5.3
55.05501	2.9
56.96558	3.0
57.03428	1.5
62.10556	0.8
63.58297	0.8
65.03956	0.8
67.01868	4.1
67.05502	8.1
68.99797	6.4
69.03419	3.6
69.07061	3.8
69.16369	0.8
71.01355	0.8
71.08604	1.6
71.55615	1.4
79.05494	5.9
81.03383	1.1
81.07058	8.1
83.04986	1.2
83.08625	1.1
84.26163	0.9
85.02892	1.9
91.05480	5.7
93.07060	6.1
95.04953	1.8
95.08597	3.2
97.02874	2.6
97.06519	1.0
99.08105	1.4
105.07023	5.4
107.08581	3.6
109.06551	1.6
109.10163	3.2
111.00790	1.4
115.05469	1.8
116.98653	0.8
117.07026	2.4
119.04961	8.2
119.08582	3.2
121.02901	1.1
121.10133	2.1
123.04417	2.8
125.02345	1.8
128.01482	0.9
128.06213	4.5
129.06987	4.3
131.00224	1.7
131.04913	1.3
131.08539	2.4
133.10187	2.2
135.08148	1.1
135.11656	1.9
137.05974	2.0
139.03903	4.0
141.06955	3.8
142.07755	2.9
143.08569	5.7
145.06531	1.0
145.10075	2.0
147.03130	1.0
147.04430	1.4
147.11685	2.3
149.01225	1.9
149.02339	3.4
149.13268	1.4
150.17433	0.9
150.33098	0.9
151.03944	1.0
152.06248	1.6
153.01839	99.6
153.06967	3.5
154.07785	3.4
155.03395	1.9
155.08548	5.3
156.03592	2.1
156.09314	3.0
157.06535	2.0
157.10146	1.7
159.08054	1.0
159.11737	1.7
161.06061	1.2
163.03880	2.9
165.01843	9.7
165.06987	6.1
166.07800	3.1
167.03416	2.9
167.08603	1.7
168.09415	1.2
169.06502	1.9
169.10136	3.3
171.02919	2.9
171.08038	4.2
171.11726	3.0
173.06000	1.2
173.09576	1.3
178.07777	3.6
179.03395	8.1
179.08545	5.1
179.14326	1.8
180.09152	1.1
181.06540	3.2
181.10123	9.4
182.07268	3.7
183.02881	7.3
183.08028	3.6
184.08875	5.4
185.09589	1.7
187.11195	1.9
193.06520	1.3
193.10185	2.3
195.08099	2.1
197.05898	1.3
197.09616	12.0
199.07512	1.8
199.11192	37.2
201.05475	1.4
202.07796	2.4
205.04776	1.0
205.06476	1.5
205.10088	1.1
206.07271	1.2
207.08037	2.6
209.06065	1.3
210.06686	1.2
211.07501	2.7
211.11136	1.9
213.05504	1.5
215.08580	1.0
216.09286	1.4
217.10199	1.8
219.08089	2.5
220.08849	2.2
221.05995	1.8
221.09547	5.9
225.05499	1.3
225.09090	4.0
229.10152	1.4
231.06386	1.4
233.09526	1.2
235.07605	2.5
235.11169	2.2
237.09198	1.3
239.07033	1.7
239.10652	10.9
243.07942	0.9
244.08865	1.7
245.09625	6.2
247.07578	2.8
247.11163	2.3
248.08325	3.0
249.05475	1.7
249.09206	4.7
250.06119	1.7
251.07040	2.1
259.11096	1.8
259.20523	2.4
261.09091	1.5
262.09781	1.9
263.06979	3.2
263.10593	4.8
265.08685	2.2
265.12262	4.0
266.09186	0.9
269.09659	1.7
270.13098	2.9
271.07626	1.8
272.08243	1.8
273.09177	2.6
275.07114	2.6
276.07840	2.6
277.08640	2.0
277.11914	1.6
277.21606	1.4
279.09952	1.1
281.11758	3.5
283.13342	1.2
284.00244	1.0
287.10638	7.8
289.08557	3.7
290.09567	4.4
291.06638	2.3
291.10159	10.3
297.09033	1.7
300.07819	2.1
301.08682	4.7
303.06595	3.8
305.08163	2.3
305.11685	5.6
307.09598	3.2
309.11176	1.9
315.10141	7.9
317.08142	8.6
318.08853	12.9
325.10651	0.9
333.11227	100.0
334.11450	3.1
336.09891	1.1
344.97543	1.2
351.12173	17.6
351.15759	1.4
351.21576	1.2
351.25531	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96294	1.1
56.96569	18.0
57.85421	0.5
64.61637	0.6
69.03429	0.7
69.74706	1.3
69.75121	1.7
70.06580	1.0
71.95266	0.7
83.96077	0.6
84.08140	1.0
84.96033	4.1
85.02889	1.7
86.09705	0.8
92.12178	0.5
97.02920	1.0
98.21508	0.6
98.97592	100.0
100.99171	0.5
101.00866	1.3
110.97578	15.1
112.99142	3.2
115.02473	0.5
116.98634	28.5
119.01923	1.8
119.04966	1.8
124.99119	1.9
127.00675	1.0
127.03957	0.6
127.99995	0.5
128.98622	10.8
129.02257	1.5
131.00186	2.2
131.01854	0.6
134.99681	4.5
140.00230	1.0
140.07088	0.9
140.98616	1.4
143.00156	4.1
143.01825	0.6
144.98134	1.0
145.01758	1.5
146.99661	2.8
147.03271	3.3
147.04436	4.6
149.01260	0.6
152.98601	3.2
155.01854	0.7
156.98047	0.8
157.01711	0.7
157.03427	0.6
158.99669	35.7
161.01244	2.4
161.02979	1.1
162.99109	1.0
163.02731	1.3
165.04381	1.6
170.99710	4.4
171.03310	4.1
171.04784	0.8
173.01079	0.6
174.99123	2.5
175.02881	0.9
175.04578	0.6
177.00728	19.6
182.99786	0.7
189.00706	2.3
189.04358	7.2
193.00224	2.0
193.03801	0.8
195.01807	1.1
201.00772	2.8
201.02351	0.5
201.04361	0.9
205.03464	0.6
207.05399	2.0
217.58043	0.6
219.01782	20.0
219.05128	0.9
225.04391	0.6
231.05412	2.7
235.06865	0.6
237.00435	1.1
237.02835	22.5
247.04494	1.6
251.04413	2.2
255.03969	0.7
265.05716	3.0
269.03012	0.7
269.05652	4.0
287.04196	0.7
289.07739	0.8
291.07501	25.6
309.08585	59.7
310.08887	1.5
332.10138	1.4
351.05945	2.2
351.09668	22.8
369.06818	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
62.34207	3.4
71.53896	4.7
101.00900	4.0
119.01952	4.3
202.17740	3.3
289.07660	4.4
307.08646	4.2
351.06912	100.0
351.12787	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	58.5
65.68893	1.0
69.03420	2.6
69.92030	4.3
70.06553	1.3
70.98109	2.5
71.95245	1.1
72.56554	0.9
74.97628	1.1
81.03419	1.2
84.08133	1.2
84.96043	15.4
85.02898	3.6
86.09715	2.9
91.05449	1.8
95.35815	1.0
96.24995	1.0
97.02880	2.1
97.96814	5.5
98.06108	1.2
98.20972	2.2
98.97595	44.2
101.00876	5.7
102.97102	1.3
103.00662	2.1
104.02882	0.9
109.02809	1.3
110.97575	31.2
112.99143	5.9
113.00870	1.3
115.97841	1.3
116.98637	10.2
119.01942	6.8
119.04935	4.2
121.01669	2.2
124.99121	8.4
127.00636	1.4
127.03862	1.1
128.98631	30.7
130.99342	1.1
131.00201	11.5
131.01883	4.3
133.03471	1.7
134.99651	2.4
136.99179	1.5
139.00681	2.2
140.07033	1.0
140.98611	3.8
141.99416	1.4
143.00188	21.9
143.01895	3.1
143.67200	1.0
144.98070	2.2
145.01668	2.7
146.99657	10.0
147.03267	2.5
147.04390	17.5
149.01202	2.8
152.98540	1.5
155.00140	4.2
155.01917	3.2
155.11188	1.1
156.98094	21.4
157.01778	7.6
157.03432	3.1
158.99678	12.1
160.00436	1.7
161.01222	9.9
161.02834	2.5
163.02736	3.7
169.03458	1.3
170.99658	2.0
171.03217	2.9
171.05029	1.3
173.01227	8.0
173.02933	6.3
174.99170	83.2
175.02551	4.9
177.00713	10.3
177.02307	1.9
177.03951	1.1
179.55273	1.3
181.98801	1.2
182.99614	2.2
185.01312	1.0
185.02965	1.8
187.04550	1.4
189.00746	2.2
189.04282	12.4
189.05881	1.8
191.02283	4.9
193.00232	57.6
195.45480	1.1
198.00711	1.2
199.04478	1.8
201.00679	5.4
201.02437	8.4
203.04016	1.8
204.02135	1.3
205.03697	2.6
207.05418	1.4
211.01268	1.7
214.05835	1.3
215.02228	1.9
215.04051	1.7
217.00403	1.4
217.05629	1.2
219.01729	7.2
219.03522	12.9
221.05025	1.7
223.04611	2.5
229.03502	1.3
231.05354	4.1
233.03270	9.4
235.06682	3.8
237.02751	10.5
237.04765	1.2
245.05092	2.6
247.04486	4.5
247.06808	1.1
251.04425	55.4
252.04881	1.2
253.07687	3.4
261.08252	1.9
263.02539	1.1
265.05655	9.9
269.05481	86.0
270.05981	1.4
274.05963	1.2
279.09207	2.3
283.06793	2.0
287.06778	11.7
289.07578	1.8
291.07391	6.5
292.07034	2.2
307.08762	2.2
309.08545	11.5
333.04581	6.3
333.10742	1.3
351.05978	100.0
351.09650	5.3
358.09839	1.4
369.07101	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	350.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.1
61.02911	4.0
62.86003	3.2
67.62630	3.2
69.03430	7.8
69.07048	5.0
69.29087	31.8
70.06600	3.7
79.05490	21.7
81.03418	3.8
81.07048	6.9
83.08649	4.0
84.04527	4.2
85.02908	35.6
86.09704	7.2
90.43183	3.2
91.05491	8.7
93.07048	34.8
95.08611	6.3
97.02892	9.4
97.06545	3.8
100.11251	9.2
107.08603	29.2
109.10148	4.8
120.08076	13.7
125.13239	3.5
127.03892	9.7
133.26262	3.1
135.11699	100.0
135.12711	6.7
145.05014	10.5
153.12761	11.0
191.08163	3.8
232.37735	3.8
277.22983	4.4
332.12955	4.0
350.07343	4.8
351.04953	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	350.127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01863	0.7
55.05503	0.4
56.05011	0.6
56.96531	0.4
57.03433	1.2
58.99577	0.9
61.02936	2.0
65.03945	5.3
67.05502	0.5
69.03435	5.5
69.07070	0.6
70.06611	2.1
71.04996	0.6
71.55295	0.5
72.08152	1.0
73.02909	0.7
79.05500	0.5
81.03427	1.8
84.04492	0.4
84.08132	1.1
85.01138	0.4
85.02914	11.9
85.66781	0.3
86.09699	0.9
87.04462	0.9
91.03957	0.7
91.05490	0.6
93.07063	0.6
94.06577	2.3
97.01128	1.0
97.02901	4.3
99.02061	0.7
99.02682	9.4
99.04462	1.0
107.04939	0.5
107.07301	0.4
108.08109	0.4
109.02878	1.3
109.10175	0.4
110.07153	0.5
111.02699	0.5
120.08162	0.6
121.08856	0.4
126.03751	3.3
127.03751	1.9
127.04595	1.3
139.04530	1.2
140.05296	3.3
145.04988	1.4
147.04427	0.9
147.07889	0.3
152.05299	100.0
153.05554	0.7
154.06859	8.3
154.12279	0.9
170.06357	30.8
171.06677	0.4
176.15904	0.3
177.05424	0.4
188.07422	14.6
212.07491	0.7
332.11649	12.7
350.09009	0.6
350.12793	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	350.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	5.2
61.02919	3.4
65.03940	3.7
66.45444	3.4
66.63300	3.2
70.06586	15.3
71.45142	5.7
74.96571	3.3
81.03408	4.9
84.04483	3.5
85.02893	16.6
93.03411	4.8
97.02880	7.1
98.97570	5.7
102.79357	3.5
111.04459	28.1
112.35329	3.4
114.75687	3.6
115.42330	3.4
125.22273	3.8
130.06528	3.6
130.76732	3.1
139.03915	100.0
147.04436	6.5
171.06537	86.6
252.39900	3.4
348.90143	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	349.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.4
55.01878	13.3
55.05259	2.2
55.05512	22.8
56.96563	3.1
57.03436	13.3
57.75441	1.4
61.02913	1.9
63.69928	1.6
65.03936	4.3
67.05175	2.7
67.05508	39.8
69.03425	2.4
69.06728	2.5
69.07074	38.1
71.04987	2.8
72.36485	1.9
77.03894	1.8
79.05069	2.8
79.05499	43.8
81.03427	13.9
81.06593	2.6
81.07066	49.3
82.54744	1.4
83.04988	11.6
83.08613	9.5
85.06535	1.8
89.03889	7.4
91.05489	42.8
93.06476	2.9
93.07048	42.2
94.00973	1.6
95.01334	11.1
95.04981	12.5
95.08611	31.6
97.02863	2.6
97.06538	17.7
97.10172	3.5
98.21472	3.2
100.71563	1.6
103.05489	1.5
105.04480	1.7
105.07038	47.0
107.04963	26.2
107.08605	25.2
109.06511	5.5
109.10163	9.0
111.08077	2.5
117.03369	6.0
117.07020	13.2
119.08593	29.6
121.06525	4.4
121.10143	11.4
123.04414	3.0
123.08063	4.1
123.11699	2.4
125.09616	2.4
129.06999	3.6
131.08574	19.2
133.06468	1.6
133.10146	26.3
135.08066	3.0
135.11726	7.3
137.09637	2.2
141.06985	2.1
143.08598	3.8
145.02841	8.8
145.03973	7.4
145.06500	3.6
145.10156	13.8
147.04466	2.1
147.08057	2.4
147.11700	12.0
149.02374	17.3
149.09647	9.9
149.13229	5.1
151.11179	2.1
157.10124	3.4
159.11699	11.1
161.13246	5.1
163.11252	3.4
165.09084	2.0
167.03416	17.2
169.10088	2.7
171.11543	2.0
173.02353	81.8
173.13277	3.5
177.12816	2.7
179.14339	13.5
181.04892	2.7
183.11696	2.8
187.11099	3.9
189.11279	2.3
191.03403	100.0
192.03777	1.8
215.07108	1.8
229.08583	14.3
247.20540	2.0
257.19016	4.6
258.22540	1.6
269.08087	8.0
275.20068	37.2
290.52020	1.7
293.04962	3.0
293.08087	47.9
349.14328	18.9
349.23721	22.2
349.34094	2.0
350.23523	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	349.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.4
53.03955	21.8
55.01885	17.5
55.05516	27.9
56.96564	11.4
57.03448	20.9
57.07083	3.2
65.03945	5.9
67.05511	75.5
69.03422	5.2
69.07076	67.8
69.51941	18.6
70.57140	2.3
71.04987	6.9
71.27298	2.7
73.02920	3.9
79.05499	73.8
81.03428	34.2
81.07062	100.0
83.04988	16.1
83.08221	2.0
83.08643	16.3
83.75587	2.3
85.02895	3.9
91.05488	83.3
93.07053	74.9
95.01331	26.5
95.04978	21.9
95.08054	4.4
95.08615	61.6
97.02888	2.9
97.06538	30.6
97.10175	5.2
98.21501	3.4
99.08099	2.5
101.02388	2.9
102.39412	2.3
103.05493	3.5
105.04514	5.0
105.07037	94.3
106.85781	2.6
107.04964	50.1
107.08601	35.1
109.06524	12.3
109.10136	14.0
111.04431	3.5
111.08124	5.4
115.05399	2.4
117.07033	29.3
119.08586	57.2
121.06511	8.3
121.10139	12.8
123.04409	5.4
123.08090	12.0
123.11739	3.8
123.17249	2.4
125.09618	4.3
125.76335	2.5
128.06232	2.1
128.64313	2.6
129.07021	7.3
131.08578	38.6
133.06441	4.1
133.10139	59.1
135.08109	7.7
135.11697	18.5
137.09621	5.5
138.03687	2.8
139.07484	3.2
141.06972	6.0
143.08606	6.7
145.06487	6.8
145.10126	27.2
147.08023	3.1
147.11708	28.5
149.02345	2.9
149.09639	11.5
149.13257	7.9
151.11223	2.5
154.84709	2.6
157.10153	5.6
159.08151	2.4
159.11699	27.6
161.13283	9.2
163.11194	7.8
165.09109	3.9
165.12631	2.8
167.03413	3.0
169.10135	6.2
171.11685	4.4
173.13297	6.7
175.11301	3.9
177.12781	11.5
179.14343	36.1
183.11708	4.3
187.11195	8.4
190.62300	2.6
195.13853	3.9
197.13278	3.8
211.13226	2.7
213.07985	3.0
229.19556	2.8
239.17952	3.7
243.08958	4.2
247.20573	3.7
257.18997	11.0
267.09045	9.9
269.10623	5.1
269.17801	2.4
275.15518	2.9
275.20087	66.6
285.10083	14.4
300.95868	3.0
310.60297	2.8
331.15707	13.6
349.16949	8.5
349.23773	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	349.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.05506	9.3
57.03438	3.1
67.05505	18.1
69.03432	10.0
69.07059	6.3
69.45323	7.2
69.45751	14.6
70.06566	4.5
71.04990	6.5
71.14874	2.6
79.05484	13.7
79.70651	2.9
81.07063	80.1
91.05466	11.6
93.07048	45.3
95.04962	4.2
95.08613	45.9
98.21455	6.7
99.04453	3.9
105.07014	5.6
107.04963	4.4
107.08620	6.5
109.06493	4.3
109.10143	10.8
113.06013	3.4
116.98640	2.8
123.11717	55.2
132.21713	2.6
133.10152	27.4
135.04466	3.2
139.03995	2.9
151.11192	100.0
153.01813	10.1
158.99699	3.9
167.07030	10.1
169.12256	72.4
175.03783	3.2
185.05804	2.8
187.13324	6.7
191.03445	3.2
203.03380	9.0
303.08603	4.1
321.07535	12.5
336.30444	3.1
339.23117	3.3
349.07138	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	349.1436
Annotation	Erybraedin E
Peak:m/z	Relative Intensity
53.00296	0.8
53.03914	2.2
55.01849	2.6
55.05516	5.3
56.96568	7.4
57.03442	4.0
57.07049	1.1
61.02895	0.9
65.03923	1.9
67.05508	13.6
67.95767	0.8
69.03412	1.1
69.07071	100.0
69.20394	4.9
69.20818	3.4
70.19383	0.7
71.95236	0.9
77.03921	0.9
79.05499	16.2
81.03385	1.9
81.07059	35.3
82.19199	0.8
83.04946	2.0
83.08573	2.6
85.01078	1.1
85.02880	1.6
86.00604	1.7
91.03932	1.6
91.05482	23.1
93.07041	10.0
94.06533	1.0
95.04917	3.0
95.08618	7.1
97.02864	1.7
97.06483	2.4
97.10170	1.1
98.97531	1.6
103.05457	1.1
105.03343	2.3
105.07028	9.8
107.04970	12.8
107.05656	0.9
107.08592	8.4
109.06530	14.4
109.10086	2.8
111.08042	1.6
113.04166	2.6
117.06948	3.0
118.68230	0.8
119.04949	27.7
119.05803	0.9
119.08601	7.0
120.08046	3.8
121.02885	1.8
121.06502	4.3
121.10076	3.5
122.09569	1.1
123.01107	0.8
123.04410	1.2
123.08014	2.1
128.98531	1.2
129.06989	2.1
131.04893	1.5
131.08559	4.4
133.02834	4.0
133.10135	6.3
135.04338	1.5
135.07973	1.6
135.11627	1.7
137.09636	1.4
141.06857	0.9
143.08533	1.1
144.04533	0.9
145.10123	4.6
147.04411	70.4
147.11662	4.5
149.02345	1.3
149.09557	1.8
149.13171	3.1
151.52794	0.8
155.08415	0.9
156.08424	5.7
157.10062	1.6
159.04388	1.9
159.11603	3.2
160.03937	7.9
160.32178	0.8
161.02347	24.1
161.09549	3.7
161.13150	2.6
163.11090	2.9
163.14737	0.9
166.08588	1.1
167.03381	2.1
169.10110	1.0
171.04446	1.4
171.11566	1.0
173.13210	1.9
174.09052	1.9
179.03313	3.6
179.08496	1.0
179.14130	1.2
181.04964	0.8
183.11549	1.5
186.03099	1.4
187.03940	10.2
191.03401	1.3
191.08556	1.2
193.12192	1.2
199.03915	6.6
202.08478	2.2
205.06277	1.0
207.07999	1.6
213.07892	1.1
220.09636	1.1
229.08638	7.5
231.08899	1.2
235.07509	2.1
237.08969	0.9
239.09239	1.0
247.20515	1.6
251.09343	1.0
255.09335	1.0
257.18860	2.6
262.06073	1.7
263.07043	16.5
263.09659	0.7
265.08569	1.2
266.05676	1.1
267.08841	3.3
269.10501	3.4
269.17371	1.8
275.06937	1.3
275.20059	12.9
279.06567	11.4
280.07074	3.0
281.08093	61.3
283.08344	1.1
285.10031	4.4
287.11462	1.0
289.08273	1.1
293.08069	27.2
331.12512	1.9
331.15634	4.0
331.22382	1.2
349.14090	43.9
349.23581	8.6
367.17944	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	349.0895
Annotation	Pibocin B
Peak:m/z	Relative Intensity
58.99577	0.7
81.07053	4.8
84.04514	3.7
86.99075	0.7
87.02702	2.0
93.43038	0.7
105.00116	1.1
119.04972	1.1
122.02728	2.4
130.04967	1.1
132.01195	1.5
133.47629	0.8
142.04999	0.8
147.04395	2.2
185.04231	2.0
187.03703	2.1
189.05400	1.7
202.08987	4.7
203.07372	1.9
220.10187	0.8
247.04530	3.3
259.04404	0.8
265.05612	1.5
287.16028	0.8
289.05606	0.8
307.06671	1.4
349.08966	100.0
350.09482	0.9
367.08682	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.6
55.05515	3.1
56.96577	3.4
57.03432	4.0
57.07077	5.9
58.06608	39.5
60.04536	4.0
61.02911	2.0
67.05511	7.4
67.53787	1.3
69.03428	8.8
69.07072	4.9
70.06606	5.1
70.78646	1.3
71.04995	2.6
71.55218	1.9
72.08154	2.9
73.02943	1.7
79.05511	5.7
81.03422	3.6
81.07070	32.8
83.04982	1.5
84.04518	13.5
84.08138	5.3
85.02915	22.3
85.06556	60.2
86.06078	53.8
86.09718	8.9
87.05602	1.5
91.05482	5.0
93.07055	5.2
94.06551	2.3
95.04974	2.4
95.08614	5.5
97.02917	8.7
97.06549	1.4
98.97607	2.4
105.07044	6.7
107.04958	3.4
107.08600	5.5
109.06519	2.0
112.07616	4.8
117.07057	2.0
119.08620	5.8
121.06513	6.2
121.10152	4.1
122.02730	1.7
123.08096	3.8
123.11724	100.0
125.02346	2.1
125.09529	1.4
126.09194	2.1
127.03890	7.2
128.10651	1.7
130.05017	4.0
130.06529	5.4
130.08662	30.4
131.08583	21.8
136.06198	23.3
138.09135	3.5
139.03908	2.6
145.04955	5.0
145.10167	7.4
146.06027	18.6
147.04424	4.1
147.08061	3.6
148.06091	2.4
149.09639	11.2
151.07498	2.3
158.06046	19.8
163.11159	4.3
165.09146	2.8
168.10194	2.1
168.13853	8.9
172.95251	1.6
173.12915	11.2
174.05521	3.2
175.08665	2.0
180.93350	1.5
183.10194	7.4
186.11285	2.6
186.14917	69.5
191.10701	7.4
201.12418	1.5
202.05077	2.3
209.11754	29.7
227.12817	8.0
285.04016	3.3
300.95135	1.6
330.14008	1.9
331.04453	1.7
348.14371	4.5
348.20374	3.6
349.09171	10.2
349.13144	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12432	4.7
53.03936	5.0
55.01878	6.5
55.05516	27.6
56.96568	26.6
57.03429	13.7
60.04517	6.9
61.02908	9.4
67.05173	9.1
67.05504	92.5
69.03429	11.1
69.07056	16.7
69.78525	4.8
70.13998	21.2
71.04993	5.3
73.02902	12.2
78.83689	4.7
79.05503	30.5
81.03416	25.4
81.07053	44.4
83.04978	7.6
83.08611	21.8
85.02909	19.2
91.03940	9.0
91.05463	16.3
93.07048	28.7
95.05000	5.7
95.08612	25.9
97.02896	14.4
97.10160	18.8
98.97567	8.8
99.69488	4.7
105.07016	11.7
107.08591	18.2
109.09470	7.2
109.10162	82.3
117.07068	5.5
119.08599	11.7
121.10200	7.3
123.08054	6.7
123.11688	8.1
125.09666	12.7
133.10081	10.7
135.11656	9.6
136.06181	15.1
137.05899	4.9
147.11652	6.7
149.09622	5.8
149.13257	13.4
155.10680	20.3
159.11638	8.4
161.13324	5.5
173.11745	100.0
189.11186	13.2
193.12227	6.8
195.13777	16.8
197.88541	5.1
243.08963	8.5
255.09009	6.8
267.09006	29.8
267.15808	7.1
269.12424	14.7
277.21576	23.9
283.08578	6.1
285.10031	37.5
295.22629	16.6
320.11084	5.7
349.19687	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	348.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.7
56.10379	1.1
56.96563	1.2
57.03436	1.6
61.02918	2.9
65.03918	1.4
69.03420	6.3
69.98837	3.2
70.06587	1.3
70.64928	1.3
74.06069	1.4
79.05470	1.0
81.03408	2.2
84.04491	3.9
85.02906	19.2
85.62189	1.0
86.09703	2.2
88.17043	1.1
91.03941	2.1
91.05486	18.3
94.98550	0.9
95.04973	3.6
97.02906	7.2
98.97586	2.5
107.08485	1.1
109.02922	1.7
119.04958	18.1
119.08601	1.1
120.08099	2.9
123.08066	0.9
127.03910	3.4
130.06557	2.4
136.05194	2.7
136.06197	26.9
137.05975	1.4
145.04993	4.7
146.06036	5.9
147.04419	9.8
151.07555	100.0
158.06033	7.2
163.03990	1.5
169.08624	6.4
174.05466	1.1
186.11209	1.6
217.08372	1.1
348.07080	1.5
348.12863	1.2
348.16916	3.2
349.09103	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01877	1.0
56.96567	2.8
57.03429	1.3
60.04517	0.4
61.02921	1.5
67.05494	0.8
69.03441	5.5
69.99656	1.4
70.06615	0.6
71.05009	0.7
72.08154	1.0
73.02925	1.0
81.03420	1.7
84.04517	1.3
84.08140	1.6
84.96011	0.4
85.02917	13.2
85.03434	0.7
86.09713	2.8
87.04478	0.6
91.05476	0.8
95.04969	1.8
97.02907	9.7
98.21358	0.8
98.97595	4.5
98.98526	0.6
99.04454	0.8
101.00880	1.0
102.00975	0.6
107.04936	0.6
109.02893	1.2
110.97585	0.7
111.04442	0.5
113.29070	0.4
116.98629	1.5
119.01912	1.6
119.03564	1.1
119.04958	0.5
120.02013	1.1
123.04442	32.8
125.58491	0.4
127.03918	2.5
127.24967	0.4
128.98599	1.0
130.05020	0.5
131.01910	0.5
136.06200	100.0
137.04630	0.8
139.03990	0.5
143.00223	0.6
143.01927	3.8
144.02048	2.8
144.06554	0.8
145.04971	2.4
147.04407	1.2
151.03920	9.5
152.07086	0.5
154.94197	0.5
155.04694	0.6
157.03529	0.4
158.99680	1.6
161.02986	3.4
162.03073	3.4
163.03960	0.9
167.07072	0.8
168.06624	1.6
169.04976	16.3
170.99663	0.8
176.08267	1.7
177.00684	0.7
180.08702	1.0
186.04662	0.6
186.07663	1.2
187.04596	0.5
187.14438	0.8
188.08195	2.2
191.03381	0.5
191.04982	0.9
203.04106	1.3
203.09271	0.6
204.04240	2.0
207.05141	0.5
214.06116	1.3
215.13857	0.8
219.01701	1.1
227.06847	0.5
237.02809	0.8
245.05038	1.3
251.04224	0.6
258.97009	0.4
269.05524	0.9
303.10849	1.7
309.08453	0.6
348.07068	4.6
348.12976	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	347.2195
Annotation	Cortexolone
Peak:m/z	Relative Intensity
56.96560	1.4
57.07074	2.6
67.05493	1.0
69.03435	1.0
69.07057	1.1
70.07365	3.2
81.07064	0.9
84.36863	0.7
88.67075	0.8
95.08602	1.5
95.88717	0.8
97.02883	1.9
98.97575	1.9
114.19110	0.8
116.98565	1.3
131.00186	1.6
133.10162	1.0
138.58260	0.8
143.08667	0.9
147.03046	1.2
149.01213	3.2
156.03658	3.2
175.14485	0.9
177.00706	0.9
191.02161	0.8
227.07127	1.1
228.05644	1.2
235.13214	1.9
249.14685	1.0
266.14587	3.7
267.51959	1.0
302.17377	1.0
342.03677	0.9
347.17371	6.5
347.21924	100.0
347.67349	1.7
348.22214	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90523	1.1
55.05511	1.8
56.05028	3.2
56.96585	2.0
57.37304	1.0
58.06600	7.4
60.04519	2.5
67.05502	2.5
69.03430	2.8
69.07066	2.2
70.06583	3.8
70.40554	2.8
71.05000	1.4
72.08152	1.5
73.02911	1.2
74.02492	1.2
79.05499	2.1
81.03426	1.5
81.07075	7.9
84.04513	48.7
84.08135	2.6
84.24829	1.0
85.02930	6.8
85.06549	12.0
86.06070	14.6
86.09721	3.8
87.05598	1.2
88.03984	1.7
91.05521	5.3
93.04539	1.3
93.07061	2.5
95.04947	2.3
95.08631	1.7
97.02897	3.7
98.20881	1.1
98.97575	1.1
102.05540	2.4
103.05468	1.1
105.07031	2.3
107.08614	2.0
112.07584	1.2
115.05434	1.5
118.06586	1.5
119.08569	3.1
121.06515	1.6
121.10118	1.7
122.02745	1.7
123.04433	1.6
123.11721	22.7
125.06043	1.1
126.09119	1.6
127.03918	2.1
128.04973	3.1
129.07143	1.1
130.05031	24.3
130.06525	25.7
130.08617	6.1
131.03406	1.4
131.08603	6.8
132.04457	3.3
135.84041	1.2
136.06198	25.2
136.07266	1.6
136.93095	3.3
138.09131	2.3
140.07089	1.5
146.06026	93.5
147.04449	2.5
149.09627	3.0
151.11147	1.1
153.09314	1.0
154.94176	7.7
156.04480	4.1
158.06032	100.0
163.11255	1.2
168.13869	2.5
172.95271	11.9
173.07092	2.6
173.12914	3.5
174.05540	12.3
175.08682	15.6
183.10220	2.6
186.11267	4.2
186.14920	17.0
190.96320	3.1
191.10716	2.5
202.05052	10.8
203.05243	1.0
207.10272	1.8
209.11774	6.9
219.07693	6.1
226.96291	2.9
227.12750	2.8
241.09703	3.7
253.01691	2.1
267.07581	1.3
285.03848	2.0
285.08575	1.2
287.10281	2.9
298.35675	1.3
331.09314	3.1
348.11594	7.7
348.16989	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2197
Annotation	Cortexolone
Peak:m/z	Relative Intensity
54.19107	0.8
55.05527	0.7
56.96552	0.8
57.07059	0.9
65.91519	0.6
67.05475	0.8
71.55545	1.0
79.05505	0.9
81.07047	1.3
82.13446	0.7
91.05432	0.9
95.08604	1.7
99.65056	0.6
112.48101	0.7
119.08544	0.8
138.59682	0.8
152.31656	0.8
224.65752	0.9
249.14590	1.2
250.41220	0.8
347.21948	100.0
347.33533	3.3
348.22144	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	347.1677
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
55.05508	0.7
69.77856	0.9
69.78247	1.1
87.44273	0.4
92.66508	0.5
95.08613	0.5
98.21622	0.4
98.97578	0.7
101.06897	0.4
102.10685	0.4
121.10128	0.7
151.07584	0.9
163.02861	0.4
167.03430	1.3
185.11470	1.7
313.91901	0.4
347.16788	100.0
348.17163	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1315
Annotation	Nordercitin
Peak:m/z	Relative Intensity
52.55428	0.8
54.58112	0.7
56.96577	1.6
60.04523	1.2
69.03419	1.7
69.07080	0.8
70.06596	1.5
71.54521	1.0
84.04501	2.5
84.08150	3.4
85.02894	1.5
85.50623	0.8
86.09723	4.5
95.86531	0.9
97.02888	2.2
97.06515	2.2
98.97591	2.2
104.07110	3.0
111.04398	1.0
119.01897	1.2
123.04425	1.8
129.10236	1.5
135.39130	0.8
136.06201	16.7
136.93118	1.0
139.03918	8.4
142.05003	1.1
143.01909	3.2
144.06575	1.1
151.03970	1.4
154.08604	1.0
154.94185	1.7
161.02951	4.0
163.03918	1.4
167.03409	3.5
170.08142	1.9
172.95238	2.2
185.04433	2.4
185.06509	1.8
185.07878	4.5
195.02800	0.9
200.13931	1.6
203.03804	1.3
203.05446	1.6
216.08514	1.0
227.07886	1.0
233.11334	2.9
285.13113	13.5
287.11057	1.7
298.60913	1.0
347.13147	100.0
348.13361	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1319
Annotation	Nordercitin
Peak:m/z	Relative Intensity
52.13012	0.9
55.05521	6.5
56.96553	1.6
57.03424	1.6
62.23255	0.8
64.31769	0.9
67.05510	1.2
69.03429	3.5
69.07054	1.6
70.06593	1.4
71.04979	1.0
71.55470	1.4
81.03418	1.4
81.07052	1.0
83.04988	1.0
83.08608	3.5
84.04495	1.3
84.08141	2.8
85.02902	6.2
86.09698	1.8
91.05476	1.3
95.04991	1.0
97.02891	3.9
98.97589	2.4
99.68034	1.0
109.06475	1.2
115.03918	3.3
123.04418	2.4
125.02363	0.8
137.02299	1.4
139.03932	1.6
147.04327	1.3
149.44502	0.8
161.04443	1.4
165.05469	1.3
167.06856	2.0
168.06616	1.0
181.06554	1.0
185.04262	2.5
185.07851	11.1
195.02882	1.8
202.06711	1.2
203.05287	8.8
226.85500	1.0
238.09465	0.9
248.03171	0.9
249.03473	1.2
285.13126	4.7
290.37744	1.1
292.46484	0.9
301.12585	58.4
329.11093	2.0
347.13110	100.0
347.16293	5.2
348.13422	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50042	0.8
53.20200	1.0
55.05516	7.7
56.96565	2.0
57.03439	1.4
62.63375	0.8
67.05508	1.0
67.28664	1.0
69.03445	4.2
69.07092	1.0
69.45240	4.1
69.45668	2.8
70.06591	1.7
81.07075	1.3
83.08637	4.6
84.08147	2.9
85.02931	5.0
86.09729	1.8
95.05041	0.8
97.02901	3.8
98.97551	3.1
103.03985	1.0
103.05457	0.8
109.02882	1.2
109.06548	1.0
109.41283	0.8
115.03941	2.8
116.07059	1.0
121.10110	1.3
122.10511	0.9
123.04424	1.9
125.09787	0.9
127.03927	1.0
130.17393	0.8
133.73386	0.9
136.06189	1.6
137.02411	1.6
137.05931	0.9
139.03932	2.2
147.04376	2.1
148.04758	1.7
150.05452	1.4
151.05858	0.9
153.05391	1.0
161.04384	0.9
167.06816	2.3
167.10571	0.9
185.04222	3.0
185.07875	12.3
195.02950	2.0
202.06737	1.8
203.05247	8.9
214.05840	1.0
237.02843	1.2
241.10178	1.0
255.07007	0.9
275.03546	1.2
285.13071	4.1
289.28586	0.9
301.12622	58.7
315.56274	1.1
325.85922	1.1
329.11740	2.1
347.13129	100.0
348.13730	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34643	0.8
55.05513	1.0
55.89330	0.9
56.05032	0.9
56.96566	6.3
57.03439	0.9
59.49516	0.8
60.02625	0.7
60.04517	1.0
61.02905	1.2
69.03428	3.8
69.52872	4.5
70.06587	2.2
72.08142	2.4
73.02902	1.7
74.06049	1.1
74.52465	0.8
79.57173	0.9
81.03415	1.3
82.99857	3.0
84.04506	2.5
84.08141	4.9
84.96037	1.2
85.02917	7.4
86.09701	3.6
91.05482	1.4
95.89599	0.9
97.02900	4.5
98.21268	3.8
98.97594	11.4
101.00263	1.5
101.00888	17.3
103.02467	0.9
104.69185	0.8
107.04967	0.9
109.02914	0.9
112.07648	1.2
112.08810	0.9
113.00780	0.9
116.98668	4.1
119.01929	25.4
119.04935	2.6
127.03938	2.3
128.98653	1.6
129.10283	2.5
130.05006	1.2
130.08612	1.8
131.00191	1.5
131.01920	3.2
133.03490	1.3
136.06200	33.4
136.93144	3.0
137.03011	2.1
139.03893	1.5
143.01909	87.9
144.02147	1.5
147.04373	4.0
147.07671	1.5
149.42509	1.0
154.94182	5.2
155.01871	1.4
157.07553	1.1
158.99635	3.0
161.02969	100.0
162.03157	2.0
163.03943	0.9
167.03375	2.8
170.99696	1.0
171.85338	0.9
172.95299	6.2
173.01323	1.2
173.02919	2.3
173.12886	1.4
175.04536	1.6
176.05190	2.6
177.00755	1.9
184.04524	4.0
185.04422	1.3
185.06609	2.1
185.09155	0.9
186.04393	1.0
190.96286	1.4
191.03902	1.6
196.95293	1.0
197.06544	1.5
201.00771	1.1
203.04019	42.1
205.13419	0.9
207.05266	0.9
209.06500	1.1
214.96277	2.7
219.01822	3.3
221.05109	1.8
222.58018	0.9
227.07573	2.7
232.97229	1.1
237.02838	3.1
245.05035	0.9
261.02762	1.6
287.09750	10.8
305.10629	0.9
311.06567	1.0
346.96887	3.8
347.12540	6.7
347.23257	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87457	13.2
55.05509	61.1
56.96560	16.4
59.13058	12.6
67.05504	100.0
68.43356	13.9
69.03380	16.9
69.07065	37.5
70.34669	55.8
79.05489	43.3
81.07059	68.4
83.08639	24.1
91.05499	33.9
93.07059	42.0
95.08610	39.5
98.97598	46.1
105.07021	38.8
107.08619	53.7
109.10159	62.6
111.72921	14.2
117.07017	15.3
119.08551	26.9
123.11697	14.5
125.09671	21.5
131.08582	13.3
135.11722	16.0
149.09695	16.4
155.10716	29.9
158.99812	16.9
173.11781	93.4
186.46516	13.7
195.13806	26.0
229.07594	20.3
275.20068	56.6
295.60986	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	347.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	5.0
69.03421	10.5
69.48684	16.2
69.49113	19.0
84.08147	7.6
85.02911	8.2
91.08813	5.7
96.47978	5.8
97.02903	6.7
98.20778	8.3
98.21420	10.6
101.00880	23.2
109.02879	7.7
115.02457	8.2
117.25690	5.3
119.01909	14.0
131.01845	6.8
133.03476	6.2
136.93182	5.8
143.00124	5.9
143.01901	58.4
145.03458	11.3
155.01840	9.9
156.02736	6.5
156.36562	5.5
157.03468	16.7
159.05003	6.4
161.02977	52.5
167.01935	7.7
171.01405	8.7
175.04659	4.7
183.04941	6.8
184.02231	9.1
185.02945	14.4
195.03172	5.5
199.04578	7.3
203.03976	25.9
221.05159	5.2
227.04120	9.0
235.06557	7.6
253.07628	16.7
257.91525	7.0
269.05484	6.0
285.12875	7.0
287.09808	9.9
288.58011	5.5
301.07587	7.0
303.09033	5.2
319.08838	41.2
327.98752	5.0
337.09915	32.3
347.07504	100.0
347.13107	65.5
348.06674	5.0
365.09152	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	346.045
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24509	2.5
55.05508	10.3
56.96572	11.6
57.03437	4.3
57.07082	4.9
66.46732	2.8
67.05500	24.8
69.07069	20.0
70.94028	3.2
70.94375	5.6
71.04994	3.0
74.35966	2.9
79.05490	7.8
81.07061	24.0
83.08634	7.4
84.96053	6.4
85.02880	2.8
91.05487	5.9
93.07047	14.6
95.08597	22.3
97.02908	3.6
97.06525	2.9
97.10173	6.3
98.96936	5.8
98.97590	100.0
105.07074	4.3
107.08626	5.5
109.10182	10.3
110.97628	3.7
111.11709	2.7
112.99148	14.8
116.98642	36.3
119.08667	4.0
121.10152	9.5
130.04982	2.7
131.00175	18.6
133.10210	4.7
134.99701	6.4
135.11723	6.0
140.00174	5.1
142.96529	3.4
147.11797	3.0
149.01219	6.9
158.99677	28.1
160.97604	3.4
161.05972	3.3
173.01231	33.9
177.00737	25.9
184.97649	6.8
191.02293	27.7
193.97682	2.6
200.02304	4.3
201.00778	11.9
202.98665	12.2
214.03804	4.8
217.19424	4.4
218.19841	3.4
219.01787	9.0
229.07478	4.6
244.99704	33.4
263.00763	7.6
269.10535	5.6
327.25610	5.5
343.82434	3.2
346.13861	3.8
347.07825	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	346.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.6
56.96563	12.8
57.03422	2.0
57.07048	1.7
58.49274	1.6
59.12293	1.5
61.02917	1.5
66.65437	1.5
67.05493	4.6
69.03440	2.0
69.07030	2.2
69.98470	7.8
71.95227	1.5
79.05480	2.2
81.03405	3.0
81.07042	3.2
84.96036	5.1
85.02905	3.1
93.07082	2.5
95.08613	3.8
97.02893	3.4
98.97591	100.0
105.07039	2.1
107.08575	2.4
109.10173	3.6
110.97554	4.3
112.99125	19.1
116.98637	34.6
119.08612	2.1
121.10222	1.7
122.03667	3.2
124.95490	1.5
128.98587	2.3
129.21593	1.6
131.00175	18.5
134.99646	5.2
137.05984	36.2
138.06319	27.2
140.00266	3.6
142.96524	4.0
144.98056	3.0
149.01224	6.5
149.02284	1.6
153.05472	6.0
154.01700	2.3
154.05780	5.9
158.99664	32.9
160.97572	5.0
162.99132	2.1
169.98550	1.7
173.01239	37.6
177.00740	25.2
182.99622	1.5
184.97578	6.6
186.06326	1.7
191.02278	24.8
200.02298	2.6
201.00717	11.0
202.98663	12.1
205.06900	2.5
214.03865	4.4
219.01804	10.2
220.99734	1.8
224.81686	1.6
226.00072	1.7
226.98593	3.3
229.07466	6.7
243.06088	3.0
244.99731	29.7
247.08498	4.4
258.08301	1.6
259.60471	1.7
263.00720	6.8
267.09082	2.0
286.07858	5.9
288.05835	2.6
289.10773	3.5
290.11078	21.5
299.11688	2.8
303.08209	2.1
317.09799	1.7
318.10483	19.8
346.10013	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	345.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
55.05524	21.5
56.96556	5.3
57.07079	13.4
59.04984	4.8
67.05226	2.4
67.05510	26.6
69.03429	3.9
69.07076	69.1
69.07454	3.7
69.65630	17.0
71.05001	7.1
71.08636	3.6
77.08084	2.8
79.05495	17.8
81.07066	100.0
83.08635	19.1
85.06564	16.6
85.10197	3.3
90.36880	2.3
91.05470	5.0
93.07050	31.5
95.08615	70.9
97.06522	9.0
97.10175	5.1
98.97586	6.0
99.08100	12.5
105.07018	7.7
107.08614	29.5
109.10165	26.5
111.08066	15.8
111.11734	17.8
111.39598	2.5
119.08545	7.1
121.10149	20.8
123.04433	3.1
123.11703	31.6
125.09638	3.4
125.13271	3.0
127.11163	4.3
135.11693	9.3
137.05978	23.7
137.13266	21.4
139.11226	4.2
147.11630	3.7
148.05185	2.6
149.05957	2.7
149.13254	25.7
151.03914	2.9
151.14850	4.2
153.12750	11.5
154.04985	3.7
155.14357	4.9
163.14822	5.8
167.14305	5.4
171.13773	3.6
173.01286	3.5
193.42773	2.7
270.23306	2.7
279.26791	5.9
284.06735	5.1
291.26834	6.5
309.27881	7.1
330.06824	3.4
345.06277	2.9
345.09631	11.9
345.12885	13.3
355.40845	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.3
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44725	3.8
55.05512	37.8
56.96568	11.4
57.03425	15.9
57.07072	8.5
59.87383	3.4
67.05515	60.0
69.07078	57.2
71.05004	5.3
71.08644	4.9
71.54950	5.3
79.05502	29.5
81.07064	100.0
83.08624	37.7
85.02910	6.4
87.08932	3.5
91.05486	13.9
93.07029	37.4
95.05003	6.0
95.08617	86.3
97.02882	5.3
97.06521	10.7
97.10191	21.9
98.97578	19.2
99.08064	4.3
105.07048	24.9
107.08614	27.5
109.02881	4.1
109.06526	5.0
109.10176	36.3
109.31937	3.8
111.11717	7.9
112.49410	4.1
116.98650	6.5
119.08596	20.5
121.10149	24.2
122.03654	5.0
123.11725	23.9
125.09631	6.7
133.06494	7.4
133.10147	11.8
135.08057	4.6
135.11720	28.0
137.05972	29.9
137.09569	4.8
137.13237	7.7
145.78587	4.5
147.11694	12.9
148.41673	4.2
149.13235	18.6
151.14775	6.2
155.04759	3.8
155.10626	4.8
158.99680	7.2
161.05988	28.1
161.13266	6.1
165.12708	4.6
175.14758	3.6
177.00606	4.3
177.16394	6.0
185.13231	3.9
210.37263	4.2
217.19389	7.6
219.01695	4.9
229.07442	13.2
235.20599	8.1
241.00412	4.0
250.14902	4.7
273.15756	4.1
303.20319	4.9
309.24338	5.3
327.15921	10.4
327.25311	16.3
330.03772	8.8
345.06131	30.9
345.13324	8.0
345.21860	7.1
345.26346	19.8
349.01334	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	345.2639
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
53.03948	3.2
55.01871	3.5
55.05518	73.3
56.96567	3.1
57.03445	25.5
57.06868	0.9
57.07087	11.3
59.04975	1.5
62.72041	1.1
65.03951	1.8
67.05512	74.5
69.03432	2.2
69.07076	91.5
69.97078	5.5
71.05000	10.2
71.08633	2.8
73.06568	1.1
79.05499	31.7
79.05965	1.7
81.03427	1.6
81.07066	100.0
83.04983	4.1
83.08627	48.3
85.02921	2.4
85.06557	7.0
91.05489	20.7
93.07057	32.4
95.04986	3.5
95.08620	90.1
96.08945	1.5
97.02953	1.3
97.06545	14.9
97.10178	37.0
98.97610	9.7
99.08090	5.2
101.06002	1.4
103.05447	1.5
105.07053	16.1
107.08611	21.4
109.02890	1.3
109.06516	3.1
109.10172	39.5
110.97571	1.3
111.08099	9.0
111.11734	10.4
112.99150	2.1
113.06041	1.3
113.09692	2.4
115.07578	1.1
116.98650	4.5
118.42236	1.1
118.69780	1.1
119.08595	16.3
121.06490	1.7
121.10158	27.0
122.03688	2.1
123.04461	3.8
123.08093	4.0
123.11732	12.9
125.09649	5.2
125.13255	1.6
127.07622	1.4
129.05492	2.2
129.09059	1.2
131.00209	2.4
131.08626	2.5
133.06490	1.6
133.10152	13.7
134.99667	1.3
135.08121	1.8
135.11705	32.0
137.02342	6.1
137.05988	17.8
137.09654	5.0
137.13281	7.2
139.11206	5.7
147.11687	13.9
149.13268	9.2
150.03212	1.5
151.11200	6.5
151.14839	4.7
153.12784	6.2
155.10695	1.6
158.99704	3.6
161.06012	8.9
161.13268	12.1
163.14841	1.5
165.12793	3.8
167.14389	1.4
169.45395	1.4
173.01288	3.7
173.11824	2.0
175.14839	5.6
177.00751	3.8
179.14310	2.6
186.78775	1.2
191.02177	1.3
191.17973	1.4
193.15913	1.5
193.19539	1.7
196.64041	1.1
200.04547	1.7
202.98538	1.3
209.11768	1.2
217.19519	15.3
218.61337	1.0
219.01828	1.4
228.04277	1.2
229.07275	1.3
235.20598	23.3
235.22780	1.8
244.99857	1.4
253.21663	4.5
269.34549	1.3
274.04663	3.7
301.03610	2.4
302.04343	6.3
309.24252	11.3
327.16046	11.5
327.25342	53.1
330.03790	14.7
345.06110	34.5
345.13153	2.6
345.26431	45.8
346.06146	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	345.2426
Annotation	Strongylin A
Peak:m/z	Relative Intensity
53.03931	3.9
55.01875	6.6
55.05273	1.6
55.05515	21.0
57.07064	3.3
58.18018	1.1
58.46747	1.1
65.03954	1.6
67.05511	17.7
68.99798	7.2
69.03416	4.4
69.06723	2.1
69.07073	21.0
71.04990	1.6
71.08633	1.3
77.73416	1.2
79.05138	1.4
79.05502	13.7
81.03439	6.9
81.07064	26.4
83.01338	5.0
83.04979	3.2
83.08620	9.3
85.06571	1.1
91.05492	9.0
93.07068	14.0
93.86760	1.1
95.04967	6.3
95.08621	21.2
97.02866	2.4
97.06534	6.5
97.10190	4.0
103.05479	1.8
105.07036	5.7
107.04946	4.8
107.08602	8.3
109.02884	12.3
109.06498	4.4
109.10164	5.5
111.04430	5.6
111.08091	3.0
117.07001	3.2
119.08609	5.5
121.02892	2.0
121.06518	5.7
121.10164	8.8
123.04433	4.2
123.08067	10.0
123.11732	1.9
125.02385	6.5
125.06039	6.3
125.09658	1.7
127.03930	7.2
129.07022	2.1
129.18102	1.1
131.08560	3.7
133.10109	3.8
135.08070	3.6
135.11765	5.5
137.05951	2.0
137.09639	2.9
137.13292	2.1
139.03911	3.8
139.07553	3.8
139.11223	1.5
141.05479	4.2
145.10136	1.5
147.08086	5.2
147.11726	2.7
149.06001	15.9
149.09596	5.2
151.03920	66.7
151.11201	2.2
153.05466	5.6
153.09084	2.7
157.10175	2.2
159.11720	1.4
161.05997	1.3
161.09641	3.0
161.13239	3.3
163.03917	1.0
163.07492	1.4
163.11121	1.3
163.14868	6.1
164.34569	1.0
165.05453	3.3
165.09103	2.7
167.07016	1.8
171.11693	1.7
175.07500	2.1
175.11214	1.8
177.05489	5.1
177.09109	2.0
177.16426	1.9
179.07034	2.5
181.08598	1.5
181.12285	3.7
191.07104	1.1
191.10721	1.5
195.10188	1.9
203.17961	2.0
205.15921	5.3
209.11653	1.5
213.16411	2.9
223.16974	16.4
231.17380	8.0
259.17087	5.4
277.14993	1.9
277.18021	31.6
299.23639	1.4
303.19534	3.9
317.24936	1.7
327.23126	1.6
345.24274	100.0
346.24847	1.5
366.77469	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53014	0.4
54.81701	0.4
56.96559	0.8
62.79058	0.3
64.28114	0.4
70.06612	0.5
70.83455	0.9
70.83852	0.8
73.02920	0.4
84.04560	0.5
84.08152	0.8
85.02933	0.4
86.99002	0.4
88.48581	0.4
95.11043	0.5
95.32778	0.4
98.97594	0.7
110.02943	0.4
116.98645	0.5
129.10219	0.7
132.52478	0.4
137.05994	1.5
147.04396	0.8
165.08884	1.1
183.06404	0.7
183.09949	1.1
183.11406	0.7
191.07082	0.5
192.51279	0.5
203.05360	2.0
223.02571	0.4
256.03262	0.5
265.03693	1.4
274.04120	1.1
287.11011	6.9
327.13965	0.9
345.15198	100.0
346.15588	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21438	0.7
58.69963	0.7
62.89733	0.7
67.05500	2.3
69.07066	3.1
69.54646	4.7
80.05019	0.8
89.03911	1.3
90.70865	0.7
94.06582	10.3
95.04987	1.6
98.21552	1.4
101.31523	0.7
108.08135	2.0
110.06023	1.5
112.07613	1.8
116.04990	7.5
122.06046	21.3
123.04402	1.5
134.06033	1.0
140.07077	30.6
144.04465	16.7
146.06027	7.2
148.31375	0.8
148.89513	0.8
162.05553	5.0
163.37675	0.8
172.03952	60.2
173.04459	1.0
174.05482	4.0
178.08661	1.2
190.04988	1.3
194.00003	0.8
204.06584	100.0
205.06970	1.5
206.08148	15.0
206.09889	1.5
300.12372	1.5
313.11688	2.7
322.16980	0.8
327.13428	1.2
345.14423	3.4
346.35544	0.7
356.62021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76157	0.5
65.03925	1.3
67.05488	2.2
68.05023	0.9
68.10626	0.6
68.61764	0.5
69.03410	1.0
69.07071	4.9
69.21651	4.7
70.06562	0.8
80.04987	1.2
81.07035	1.0
84.08146	0.8
85.02879	1.1
86.09692	1.5
87.10007	0.7
89.03911	2.1
93.05794	0.6
94.06570	13.9
95.04962	2.2
96.04494	0.6
97.04179	0.5
97.06545	0.8
99.08071	0.7
107.04945	0.9
108.08090	1.6
110.06092	2.9
112.07569	2.0
116.04988	7.3
118.06545	0.6
122.06038	24.9
123.04416	1.6
124.07629	0.9
131.08597	0.6
134.05960	1.1
140.07069	32.7
140.67552	0.5
141.07904	1.2
144.04449	17.0
146.06021	7.2
147.06851	0.8
148.07567	0.6
162.05507	6.2
172.03937	61.9
174.05527	3.7
178.08656	1.3
182.96999	0.6
183.13756	3.7
190.04997	2.4
203.05258	1.0
204.06567	100.0
205.07060	1.7
206.08131	16.1
218.98869	0.6
243.10812	1.1
243.53336	0.6
285.12598	0.6
299.05502	1.2
300.12393	2.1
313.11844	1.6
315.04971	0.7
327.13315	1.6
331.12790	2.7
345.15164	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
67.05502	3.3
69.03426	1.8
69.07072	4.7
70.06588	0.9
71.55139	1.2
72.08121	1.1
79.05485	1.9
81.03386	1.0
81.07082	1.3
83.32106	0.8
84.04504	1.6
84.08138	1.4
85.02911	2.2
86.09702	1.5
89.03898	1.6
91.05472	1.2
93.07044	1.3
94.06573	15.0
95.04986	1.9
97.06515	1.3
98.97572	1.2
100.24146	0.8
107.08635	1.4
107.59523	0.7
108.08123	1.8
109.19840	0.8
110.06020	3.1
112.07616	1.9
116.04976	7.5
121.06476	1.0
122.02735	1.5
122.05163	1.7
122.06036	27.1
123.04446	1.4
134.05988	1.0
137.02362	1.0
137.06018	2.1
140.07076	31.8
144.04453	16.8
146.06018	9.2
148.07515	1.0
149.06012	9.3
150.06325	5.8
151.03943	1.3
153.01880	1.9
162.05530	6.3
163.11223	0.9
164.11584	1.1
172.03943	57.9
174.05511	3.3
175.03914	1.0
178.08813	0.9
190.05081	2.0
195.02873	1.8
195.08075	0.9
204.06569	100.0
205.07077	2.2
205.12265	2.8
206.08141	16.4
206.12526	5.4
274.03207	1.2
285.12155	0.8
300.12332	1.2
313.11780	3.5
316.05667	1.1
331.12885	2.4
345.05969	13.4
345.10831	1.3
345.14828	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.7
67.05504	3.4
68.19440	0.6
68.99797	5.6
69.07061	1.2
69.69022	0.5
69.71377	3.0
71.04996	1.4
79.05499	3.1
81.07063	0.8
85.06538	1.2
91.05488	1.5
95.04978	3.2
97.06546	1.5
98.21476	1.1
100.36436	0.6
103.05466	1.6
104.99268	1.5
105.07037	1.6
107.04928	0.6
109.06509	0.7
111.04477	0.6
113.06009	4.7
115.05495	0.7
118.04144	3.2
119.08607	0.8
120.05709	1.0
121.06505	3.5
123.04446	1.0
128.06242	0.9
129.07021	0.9
133.06502	26.9
135.04431	1.8
135.08070	1.1
137.05995	2.4
142.04164	3.0
144.05717	2.9
145.06488	1.8
147.08051	1.5
157.06427	1.4
158.07303	1.2
159.08044	1.6
160.05225	1.7
161.05992	100.0
162.06332	1.7
165.05475	1.0
175.07594	4.0
183.06699	0.6
185.05949	16.4
186.06525	0.9
187.07579	2.2
201.05486	1.2
201.09052	0.8
203.07039	27.2
215.07080	1.3
229.08623	7.4
231.06528	14.7
233.08078	1.3
243.06538	1.1
257.08170	1.6
257.11804	4.6
259.05997	1.0
262.98068	0.7
270.51328	0.6
271.13361	0.9
275.09131	1.2
281.11728	1.5
283.13376	2.0
285.11279	4.2
296.32532	0.6
299.12778	2.8
309.11148	0.7
317.13931	1.3
327.12387	8.2
327.15897	1.6
343.26733	0.6
345.13348	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	345.0971
Annotation	8,3'-Dihydroxy-5,7,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
50.83635	0.3
51.96680	0.4
55.05507	0.8
56.96560	0.9
57.07093	0.4
67.05495	1.7
68.99812	0.6
69.03456	0.4
69.07069	1.4
70.40212	0.6
70.40543	0.6
79.05492	1.0
81.03409	0.4
81.07048	2.6
83.08578	0.6
85.06541	0.6
91.05492	0.7
93.07036	1.3
94.04127	0.4
95.08599	1.8
95.78609	0.4
98.97581	0.7
105.07020	0.9
107.04974	0.6
107.08605	1.2
109.10167	1.2
110.42382	0.4
111.04398	0.4
119.08558	0.4
121.02879	1.2
121.10112	0.8
123.04425	0.7
123.11690	0.5
125.09627	0.4
135.11668	0.6
137.02425	0.4
137.05992	4.6
137.13252	0.5
139.03896	0.7
143.08586	0.4
147.04396	0.8
147.11691	0.5
149.01157	0.6
149.02350	10.9
153.01848	1.0
153.05475	1.5
161.13228	0.4
163.03937	0.8
164.04688	2.3
167.03409	22.0
167.07056	0.7
177.05428	0.5
193.05034	1.0
213.05540	1.1
217.05008	2.5
219.06514	4.9
231.06616	1.2
242.05740	1.3
243.06491	0.4
245.04475	7.8
257.08014	0.5
257.12219	0.5
259.06058	2.9
269.04507	2.0
270.05185	1.5
272.11234	0.4
284.03241	1.0
285.07578	1.4
286.04718	0.4
287.05533	8.1
289.10773	1.0
297.03882	2.4
298.04907	1.9
299.05493	3.9
300.02600	0.4
302.08014	0.6
313.07104	2.7
315.04996	50.5
316.05411	0.8
317.10376	0.7
329.06708	0.5
330.04376	0.4
330.07346	11.0
345.09698	100.0
346.10104	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0971
Annotation	FR 901235
Peak:m/z	Relative Intensity
55.01878	0.9
55.05504	2.2
56.96561	2.8
59.81186	1.1
67.05507	6.7
68.99789	1.7
69.03435	2.2
69.07070	4.3
71.04967	1.1
71.54530	1.1
71.54919	1.2
79.05498	3.7
80.14998	1.0
81.07056	8.7
83.08622	2.3
85.02914	2.0
91.05483	3.8
93.07035	3.1
94.04194	3.9
95.04976	3.2
95.08624	5.4
97.02882	1.0
97.06519	1.7
97.10181	1.1
98.97580	2.8
105.07040	2.0
107.04951	1.4
107.08595	3.3
109.06532	3.1
109.10162	3.2
116.98621	1.4
117.84933	0.9
119.08596	2.0
121.10148	2.0
122.03660	13.2
123.04425	1.7
123.11732	1.8
133.06509	2.4
135.08069	2.0
137.05992	100.0
137.13260	0.9
139.03854	1.3
141.05444	1.9
149.13232	1.1
151.07614	0.9
153.05481	43.1
157.01382	1.3
158.99719	1.9
161.05992	7.8
177.00734	1.6
177.05406	1.0
210.35573	0.8
212.88928	0.9
229.07544	2.8
231.06648	1.2
235.63580	1.0
242.05757	2.1
254.05298	1.0
256.81818	1.0
271.06076	1.8
273.07590	1.6
285.07599	5.2
286.08322	1.8
287.05496	1.4
289.10718	49.3
295.09622	0.9
302.07867	1.3
317.10178	35.5
345.06085	1.6
345.09698	2.5
345.13339	1.9
345.21292	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01890	0.3
55.05521	2.3
57.07087	1.2
61.20348	0.2
65.03943	0.5
67.05513	8.9
69.07070	1.2
69.87069	1.0
70.06602	2.1
71.05009	0.6
71.08636	0.4
77.56341	0.3
79.05500	2.7
81.07064	7.1
83.04996	0.5
83.08618	1.1
84.04525	0.3
85.06569	0.3
88.07089	0.5
88.07636	8.6
91.05486	4.6
93.07047	3.0
95.05010	1.2
95.08615	9.2
97.06528	0.6
97.10165	0.3
98.21500	0.3
103.05479	5.6
104.17161	0.2
105.07051	2.1
106.08685	1.8
107.04984	0.9
107.08604	0.9
109.06503	0.3
109.10161	2.1
111.08112	0.4
117.07043	0.4
119.08578	2.1
120.08117	100.0
121.08441	0.8
121.10153	0.5
123.08048	0.3
128.04953	0.5
131.04959	1.8
133.10141	0.9
135.11726	0.6
137.13286	0.5
141.06993	0.4
146.06030	3.1
149.05991	1.5
161.13272	2.6
163.84334	0.3
166.08656	37.7
167.08971	0.4
174.09200	0.3
179.14313	1.0
186.09061	0.4
188.76248	0.2
196.94139	0.2
206.15410	0.3
221.44528	0.2
229.04802	0.2
261.66492	0.3
262.89362	0.3
267.87961	0.3
283.26343	2.7
284.31918	0.3
298.21655	6.2
326.20938	0.3
344.22299	3.1
344.31482	2.8
344.35339	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2223
Annotation	Polysignine
Peak:m/z	Relative Intensity
53.03932	0.9
53.84755	0.5
55.05486	2.4
56.05018	1.2
56.96548	1.7
57.03401	0.8
58.15920	0.7
66.16943	0.7
67.05479	1.7
69.03403	0.8
69.07040	2.0
69.64767	3.4
71.04988	0.7
74.06049	0.8
79.05499	6.9
80.05000	1.3
81.03392	0.8
81.07064	4.4
82.31548	0.6
83.08607	0.8
83.25118	0.6
85.02868	1.8
85.49453	0.6
91.05488	4.7
93.07043	4.8
95.04986	0.8
95.08643	4.0
98.97554	2.7
103.04813	0.7
103.05472	11.9
105.07020	3.2
107.04377	0.6
107.04971	5.9
107.08629	3.3
107.09192	0.8
108.08140	14.5
109.08904	1.1
109.10138	0.8
110.09657	1.7
116.07071	1.2
116.98653	1.3
119.08562	1.5
120.08148	4.0
121.06445	0.8
122.09672	10.1
123.10493	1.2
130.06555	3.2
131.04935	6.0
132.08092	1.9
133.10094	0.8
134.08113	1.0
134.09598	0.9
134.99635	0.6
135.11667	2.9
136.11215	6.3
137.13257	0.8
150.12799	26.5
151.13591	6.1
152.14314	3.8
158.99565	1.6
161.06007	1.0
162.06367	0.6
164.14368	0.8
172.11127	0.7
177.00745	1.2
180.10211	5.4
199.07594	0.6
200.04431	1.0
200.14285	1.5
212.14389	0.8
228.10187	2.2
229.07434	0.6
230.11745	0.8
246.11320	1.0
246.14960	1.6
254.19055	3.0
258.14996	0.8
270.14835	1.2
298.17920	1.3
300.19614	100.0
300.94687	0.8
301.20035	2.7
302.21326	3.0
326.19809	0.9
344.22247	59.7
345.22699	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	344.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.9
55.05509	3.7
56.96561	4.1
59.61237	2.9
65.03942	5.8
65.10514	2.2
67.05485	7.6
69.03439	2.9
69.07061	2.9
71.54833	2.2
71.55231	4.0
79.05476	3.3
81.07056	6.6
81.19865	2.4
83.04971	2.3
85.02854	2.8
86.09697	7.0
87.10024	3.0
91.03983	2.4
93.03418	4.3
93.07028	4.7
93.84327	2.6
94.03739	2.6
95.08611	3.7
98.97596	4.4
105.07008	7.2
107.08593	4.6
109.10167	4.4
121.02827	3.7
121.06474	2.7
121.10173	2.6
127.03980	2.9
127.44857	2.4
131.01279	3.8
137.05931	3.1
149.02348	82.8
150.02672	52.9
150.60190	2.4
161.05885	2.9
162.06325	3.2
167.03406	100.0
168.03755	62.3
206.09047	5.0
269.08044	19.6
270.08459	81.3
271.08499	3.9
310.25476	2.8
326.14734	40.1
344.11996	4.1
345.09637	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	344.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03196	1.4
55.05515	5.5
56.05040	47.8
56.96552	3.5
57.03448	2.0
61.01144	2.4
65.00625	2.1
67.05507	20.4
69.07064	3.3
71.54736	1.8
74.02448	53.5
74.06093	2.4
75.02714	17.0
79.05490	3.8
80.05005	2.3
81.03411	1.9
81.07058	16.3
83.08620	1.6
84.04504	3.3
85.02906	2.3
91.05482	4.1
93.07034	4.8
95.04953	2.9
95.08613	12.4
98.97593	1.6
100.03977	3.4
102.05536	9.9
105.07050	4.5
107.08620	3.3
108.29749	1.5
109.10186	3.3
110.06062	2.7
119.08574	3.0
120.19312	1.7
131.01682	1.8
136.07611	6.0
141.38246	1.4
149.02698	13.1
156.11549	1.3
162.06351	2.2
166.05339	52.5
166.06700	2.9
172.42387	1.5
204.17377	2.1
206.15427	3.2
234.18510	13.8
251.68599	1.4
265.13538	1.6
280.19098	100.0
314.07422	2.2
326.17731	4.3
344.08173	2.8
344.12125	1.9
344.18777	4.1
345.09839	4.3
356.84918	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.0
61.02926	1.5
65.03943	0.6
69.03432	3.3
69.37571	3.6
73.02930	0.8
81.03429	1.2
85.02915	15.2
91.03947	0.9
91.05490	5.7
95.04927	0.7
97.02895	3.7
99.04440	0.9
109.02875	1.1
116.40061	0.5
119.04955	19.8
122.78574	0.5
123.04437	1.9
127.03941	2.4
140.41058	0.7
145.04988	3.7
147.04422	100.0
148.04814	0.6
158.17233	0.5
165.05489	45.3
180.08720	1.2
183.01543	0.5
184.04253	0.7
191.13971	0.6
193.27841	0.5
195.21783	0.6
216.16068	0.5
220.67276	0.5
221.61444	0.4
282.76712	0.5
344.13644	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
56.54111	0.6
57.03437	1.2
61.02919	1.8
61.03703	0.6
64.37007	0.6
69.03430	3.3
70.46400	0.5
70.80196	1.5
73.02912	0.6
81.03417	1.3
85.02911	16.4
91.03957	1.0
91.05482	5.4
97.02911	3.1
109.02874	1.3
119.04954	17.9
123.04436	1.6
127.03914	2.5
145.04979	2.4
147.04424	100.0
148.04774	0.8
165.05489	48.3
176.96674	0.5
180.08694	1.8
248.16292	0.6
250.22681	0.6
263.79416	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47853	3.2
51.59726	2.9
53.03932	5.1
55.01865	3.7
55.05519	39.3
57.03137	2.9
57.03441	3.4
57.07080	25.1
62.36820	3.0
67.05510	88.8
69.03416	11.3
69.07073	55.8
69.63097	19.4
71.01354	4.6
71.04997	7.4
71.08645	14.9
78.21687	3.1
79.05075	4.2
79.05502	81.6
81.06594	5.7
81.07063	100.0
83.05000	14.7
83.08624	48.8
85.06522	5.8
85.10180	7.7
89.02390	3.9
91.05476	26.1
93.07052	83.1
95.04960	8.7
95.08615	96.2
97.06525	10.9
97.10181	35.3
98.20778	6.4
105.07038	18.3
107.04933	4.8
107.08604	53.7
109.06499	7.4
109.10164	43.7
111.04428	12.4
111.08075	4.3
111.11726	11.9
115.03987	3.9
117.07018	8.4
119.08556	12.3
119.91551	3.1
121.06499	14.1
121.09331	4.8
121.10154	92.2
123.08030	4.6
123.11702	18.2
124.68636	2.9
125.06010	8.3
129.05482	16.3
131.08563	9.2
133.10095	10.7
135.08017	15.4
135.11696	62.8
137.09598	4.5
137.13278	8.8
139.07536	13.8
139.11298	3.5
139.38716	2.8
143.08461	4.1
145.10146	16.8
145.27377	3.8
147.11685	5.0
149.09607	11.3
149.13251	21.5
151.03963	5.6
151.14796	8.3
153.09125	10.7
159.11693	9.0
161.05975	19.9
161.13243	5.0
163.11177	11.7
163.14879	6.3
165.01817	4.8
165.16377	12.5
167.10738	6.1
173.13185	5.0
177.16344	3.9
191.07133	4.5
192.07845	5.1
201.22363	3.2
221.22588	9.8
239.23697	3.6
240.23376	5.6
245.22481	6.3
247.24231	84.6
261.25742	7.2
265.25314	34.8
271.24197	11.8
285.07504	4.1
289.25247	12.9
307.26505	15.4
313.06915	13.3
325.27328	5.2
328.09637	3.7
343.08020	5.6
343.11673	34.3
343.22809	7.1
348.32715	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	343.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08285	2.1
54.65689	1.9
55.01868	3.0
55.05516	15.7
56.96556	6.5
57.03427	2.1
57.07062	7.7
60.98213	2.0
67.05507	33.2
69.03440	10.4
69.07073	37.7
71.05003	4.6
71.08641	2.7
71.56089	3.8
79.05502	22.9
81.03413	3.5
81.06585	4.9
81.07063	100.0
83.04993	6.6
83.08627	19.2
85.02907	7.3
85.06546	16.5
87.04464	3.9
91.05488	13.9
93.07047	37.1
95.04979	21.7
95.08616	72.4
97.02885	2.8
97.06531	6.0
97.10176	7.6
98.97600	8.3
99.08050	4.4
103.05444	3.0
105.07033	29.8
107.04966	3.4
107.08600	30.5
109.02885	2.3
109.06506	7.7
109.10177	38.5
111.08076	7.2
111.11723	2.5
112.02234	2.2
113.06030	2.5
115.05625	2.4
117.07005	5.1
119.08608	21.7
120.85561	1.9
121.06516	4.2
121.10150	29.7
123.08101	5.2
123.11730	18.7
125.05984	2.6
125.09618	2.8
127.11210	3.8
131.04866	2.3
131.08591	6.0
133.10100	10.6
135.08046	6.1
135.11713	21.1
137.05986	4.5
137.09598	4.0
137.13303	10.3
139.03854	2.1
139.11195	6.3
143.08543	2.9
145.10115	11.8
147.11688	13.0
149.09644	2.7
149.13255	10.3
151.03975	3.7
151.07466	2.5
151.14868	2.7
153.12769	3.6
155.10707	2.4
155.14281	2.9
156.46362	2.1
159.11681	9.3
161.06006	7.8
161.09778	2.9
161.13258	9.1
163.07477	3.1
163.11217	15.8
163.14835	6.0
165.12828	6.1
173.13213	3.9
175.07600	2.8
175.14777	2.8
177.00739	2.4
177.16402	3.0
181.12209	5.3
188.06850	9.3
189.16515	2.7
196.09512	13.3
198.06070	3.1
201.05441	2.4
253.04732	2.2
254.12112	6.4
263.23801	2.3
267.06342	2.7
271.21210	2.0
271.24045	5.7
272.97675	2.2
274.37262	1.9
277.25491	2.5
282.08752	4.1
283.09149	2.1
289.25314	11.1
307.09537	2.6
307.26373	22.3
325.10764	4.0
325.27347	6.3
343.07889	4.9
343.11606	12.6
343.16284	44.8
361.02661	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.2
55.05502	16.2
57.03435	3.1
57.07073	7.2
67.05511	38.2
69.03436	5.4
69.07076	37.5
69.25967	32.1
69.80009	2.7
71.05008	8.0
79.05496	23.1
81.03428	3.6
81.07062	100.0
83.04993	6.3
83.08609	10.7
85.02902	5.8
85.06544	16.8
91.05493	15.6
93.07058	41.3
95.04975	13.8
95.08614	72.2
97.06530	6.9
97.10167	5.1
98.97601	5.4
99.08093	11.8
105.07043	30.0
107.04917	3.5
107.08596	38.7
109.06512	10.8
109.10168	32.7
110.79668	3.0
111.08058	6.4
111.11701	5.0
117.07005	6.8
119.08585	23.1
121.10143	34.2
123.08159	4.3
123.11738	17.4
125.09621	4.3
131.08574	9.2
133.10138	18.2
135.08009	3.4
135.11708	29.6
137.05994	14.4
137.09621	6.5
137.13254	8.0
139.11194	5.5
145.10115	13.7
147.11748	17.3
149.13266	11.5
153.05502	5.6
159.11682	4.3
161.05995	5.9
161.13303	9.9
163.11166	13.5
163.14844	9.3
165.12750	7.3
173.13309	4.5
175.14787	3.5
176.39035	3.3
177.16414	11.3
181.12210	3.8
187.14925	4.3
189.16434	5.0
195.17525	6.7
208.91020	3.2
213.18448	6.9
215.18123	3.4
237.09100	4.9
237.61696	3.5
265.08636	4.5
271.24191	4.7
277.25235	7.0
280.35846	3.8
289.25327	17.5
292.10532	3.4
295.26337	3.8
297.07550	3.8
307.09808	4.1
307.26624	8.8
343.07935	10.0
343.11719	6.8
343.17438	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	343.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.05520	20.5
56.96563	3.1
57.03434	2.6
59.04971	3.1
60.71119	2.5
67.05511	19.5
68.23169	2.5
68.61472	2.9
69.03430	3.5
69.07073	100.0
69.92531	6.6
69.92944	8.8
74.65723	2.6
79.05489	11.2
81.07064	57.0
83.08624	13.6
85.02904	3.5
85.06534	8.1
89.73605	2.7
91.05470	5.7
93.07056	14.5
95.04997	7.3
95.08607	31.2
97.06551	6.4
97.10128	3.0
98.37816	2.9
99.08096	7.7
100.61709	3.1
101.06044	3.0
105.07021	8.2
107.08584	12.2
109.06485	4.9
109.10149	20.6
111.08080	5.4
111.11156	2.6
111.11742	29.4
113.09676	2.8
119.08582	7.5
121.10124	8.4
123.11721	17.6
127.11221	5.4
130.07819	2.5
133.10107	4.3
135.08035	4.9
135.11700	7.8
137.05998	8.4
137.13245	5.4
139.11217	17.6
145.10139	3.2
147.11687	6.6
149.13231	6.6
153.12755	3.4
161.06017	6.5
161.13260	3.9
163.11163	7.2
165.12727	3.5
179.14426	3.3
185.40009	2.5
187.74190	2.6
205.06435	3.3
237.08987	3.7
273.07672	2.8
285.07794	3.5
289.25247	3.2
295.26428	5.7
307.09839	3.5
307.26324	14.6
343.11685	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	343.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.0
55.01857	3.3
55.05509	40.7
56.96561	4.0
57.07077	26.7
61.02921	4.1
65.03938	3.7
67.05183	6.0
67.05511	82.5
67.64490	3.4
69.03418	8.4
69.07073	61.8
71.01348	4.6
71.04997	5.5
71.08620	17.6
71.55470	3.0
79.05066	5.1
79.05495	77.9
81.06591	5.1
81.07063	100.0
83.04980	17.3
83.08152	3.8
83.08627	56.3
85.06557	4.0
85.10182	8.6
89.02314	3.6
91.05479	24.1
93.06491	4.8
93.07051	94.3
95.08615	98.8
97.02881	6.4
97.06544	7.9
97.10176	34.5
97.16499	3.5
105.07010	13.3
107.04939	3.9
107.08601	65.7
109.10151	43.0
111.04443	8.2
111.11700	13.7
117.06978	4.7
119.08569	13.5
121.06499	8.5
121.09319	5.4
121.10158	80.8
123.11733	19.4
125.05995	5.7
125.13187	5.9
129.05447	10.8
131.08559	13.9
133.10129	10.8
135.08058	14.8
135.11708	55.4
137.13254	13.1
139.07526	13.3
145.10077	9.1
147.11592	5.6
148.99286	4.0
149.09624	9.4
149.13271	17.0
151.14876	8.0
151.16017	4.0
153.09076	6.2
159.11705	7.2
161.05959	9.1
162.03125	4.0
163.11209	8.7
163.14812	7.4
165.16353	9.0
167.10712	5.3
173.13284	6.5
175.14891	4.7
177.12793	4.1
177.16273	5.4
208.86539	3.2
221.22607	8.0
240.23183	5.2
245.22639	6.1
247.24248	89.4
265.25238	31.2
271.24249	15.8
285.07547	4.7
289.25211	10.7
292.85861	3.1
302.07092	3.5
307.26257	14.4
313.07065	6.4
325.27347	5.5
343.11600	15.0
343.37729	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	343.2271
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03960	6.0
54.17196	3.1
55.01871	6.2
55.05518	15.9
57.03442	7.1
57.07077	8.9
59.05008	5.4
67.05509	29.1
69.03426	10.2
69.07066	10.1
71.04998	19.9
73.61189	3.4
75.75856	3.4
79.05495	31.6
81.03416	4.4
81.07060	31.2
85.06528	3.5
91.05489	36.4
93.07049	78.9
95.04983	60.6
95.08616	94.8
97.06513	15.8
103.05442	5.1
105.07045	94.7
107.05006	3.3
107.08600	57.1
109.06515	16.7
109.10155	3.9
115.05482	9.7
117.07024	29.6
119.08609	30.4
121.06509	16.4
121.10149	19.8
123.08096	37.6
128.06264	4.3
129.07010	7.7
130.07748	16.3
131.08591	8.7
133.06497	11.8
133.10138	20.2
135.08075	28.2
135.11682	17.4
137.09682	4.1
142.07799	5.6
143.08603	17.7
145.10139	100.0
147.08055	22.1
149.09698	6.1
151.07556	53.4
157.10143	9.9
159.11720	9.9
161.09688	7.0
161.13332	5.6
163.11195	68.3
165.09117	20.4
171.11722	7.7
173.09637	6.9
173.13284	5.9
175.11163	8.1
177.09084	7.1
179.07112	5.3
181.10159	5.9
181.12097	5.7
189.12779	11.5
203.14401	12.4
207.13898	8.3
209.15324	5.6
218.48512	3.1
221.15408	37.7
225.16371	3.7
245.15385	4.2
263.16455	12.3
274.19507	3.8
284.29865	3.7
286.19241	3.5
287.16464	3.5
287.20163	4.1
307.20605	4.4
325.21698	17.0
343.11746	6.4
343.22684	98.3
345.89267	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	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
52.60810	2.2
53.03953	6.4
55.01867	7.7
55.05519	18.0
56.96582	3.4
57.03428	10.1
57.07074	12.1
59.05001	6.2
67.05509	31.1
69.03436	13.9
69.07064	8.9
70.94180	4.2
70.94513	3.0
71.04992	22.9
79.05492	29.9
81.03402	4.0
81.07066	33.7
81.55380	2.2
83.04983	9.1
83.08623	3.9
85.06531	3.2
91.05482	46.1
93.06479	5.0
93.07052	87.8
95.04974	71.1
95.08614	88.6
97.06537	15.0
102.27351	2.5
103.05468	2.5
105.07036	91.1
107.04970	5.7
107.08602	67.5
107.93058	2.6
109.06512	20.8
109.10147	6.3
111.08064	5.1
115.05437	6.5
117.07030	36.4
119.08594	33.3
121.06496	22.1
121.10152	20.0
123.08089	29.9
125.06061	4.0
128.06255	9.1
129.07016	9.4
130.07822	17.1
131.08577	10.1
133.06499	9.3
133.10124	20.0
135.04396	2.5
135.08057	38.2
135.11691	16.3
137.05974	7.4
137.09586	4.9
139.07582	2.4
143.08537	14.2
145.06477	5.4
145.10127	100.0
147.08034	16.5
147.11671	7.5
149.02353	2.5
149.09612	8.3
151.07555	52.1
153.09146	6.1
155.08589	2.9
156.09346	5.0
157.10158	17.9
159.08078	4.7
159.11713	10.7
161.06000	9.6
161.09627	10.9
161.13278	5.4
163.11183	70.7
165.09102	20.7
167.07062	2.5
167.08421	2.8
169.10191	4.5
171.11700	8.7
173.09621	8.0
173.13321	6.5
175.11180	7.3
177.09129	4.5
179.07076	4.7
183.11731	3.7
185.13208	2.8
187.11131	6.0
189.12740	14.8
191.14301	4.0
193.10164	2.9
195.11639	3.2
197.13298	7.0
199.14764	3.9
201.12756	4.1
203.14381	10.3
207.10100	3.4
207.13814	5.3
209.15562	4.1
213.12787	3.0
215.14348	3.2
217.12170	3.0
221.15346	36.7
223.14853	2.6
233.15422	7.7
240.23238	3.0
263.16479	9.8
269.15475	5.5
285.07468	3.6
286.19205	5.2
287.16586	4.4
287.20029	4.3
307.20740	3.4
313.07001	9.9
325.21500	16.9
343.11581	15.2
343.22702	93.1
343.26913	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
50.12023	4.8
53.03945	5.9
55.01862	6.6
55.05504	18.9
56.96553	6.6
57.03435	8.7
57.07082	8.7
58.52050	4.4
59.04995	6.0
65.03935	5.6
67.05518	33.7
68.12493	4.1
69.03411	12.9
69.07059	10.6
70.85262	4.1
71.04993	30.8
79.05494	35.2
81.03436	5.5
81.07067	29.0
83.05002	6.5
83.61660	5.8
86.64693	4.5
91.05492	41.9
93.07053	83.1
95.04983	57.8
95.08052	9.6
95.08611	100.0
97.06516	21.7
98.21550	10.0
103.05457	5.2
105.07040	88.0
107.04993	6.8
107.08605	69.0
109.06518	21.6
109.10149	7.5
115.05452	6.3
117.07040	36.2
119.08607	34.9
120.08087	11.5
121.06496	18.3
121.10123	20.9
123.08056	27.5
125.05984	4.9
128.06255	7.1
130.07797	22.7
131.08565	12.0
133.06497	10.5
133.10155	29.2
135.08041	32.0
135.11710	22.9
137.05963	7.6
137.09625	9.9
142.07811	5.4
143.08554	14.3
145.10121	86.8
146.59299	4.6
147.04359	9.1
147.08028	23.6
149.09645	6.4
151.03851	10.4
151.07564	44.8
157.10149	11.3
159.08064	10.5
159.11641	11.5
161.05998	21.0
161.09656	9.8
163.11203	65.4
165.09154	23.0
167.03423	6.1
167.07005	7.6
169.10141	5.1
173.09711	7.1
175.11208	6.5
177.09140	5.7
179.07091	7.7
189.12755	11.2
203.14328	6.2
217.12181	6.1
221.15417	29.5
240.23233	5.5
263.16367	8.9
280.56686	5.2
281.06613	5.8
285.07556	5.5
286.19183	7.7
288.05423	12.8
297.06079	13.0
313.07013	12.6
325.14288	9.6
325.21603	11.4
343.04642	6.5
343.11676	21.6
343.22644	84.2
343.33911	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29135	1.2
53.03953	1.3
55.01859	2.0
55.05511	7.6
56.96564	2.9
57.03424	5.1
57.03682	1.2
57.07075	3.4
62.71251	1.4
64.23674	1.1
67.05509	25.4
67.45912	1.1
69.03422	4.4
69.06785	1.1
69.07074	12.3
70.02959	64.8
71.04994	2.7
71.55389	1.9
74.02446	25.6
79.05496	13.9
81.03426	1.8
81.07063	62.3
83.04972	5.3
83.08646	6.0
85.02895	3.6
85.06542	6.8
87.05597	84.5
88.04000	71.8
91.05486	19.6
93.07047	20.4
95.04988	7.0
95.08614	26.6
97.06526	5.3
98.02391	1.7
98.97610	2.3
99.00816	1.5
99.08110	3.6
101.05967	1.3
105.06314	1.5
105.07035	28.5
107.04955	2.5
107.08593	20.6
109.06526	5.8
109.10155	9.1
111.08068	2.3
113.09625	1.5
115.05019	2.6
116.03445	10.2
117.07021	3.5
119.04954	1.2
119.08596	22.7
121.06512	2.3
121.10155	20.1
121.10947	2.4
123.04384	1.7
123.08051	1.6
123.11705	19.0
125.06007	2.0
125.09634	2.7
126.03745	5.0
127.07562	1.2
129.06960	2.2
131.08565	2.9
133.06100	100.0
133.10107	5.5
135.08052	7.2
135.11705	4.9
137.05960	5.8
137.09595	2.3
137.13257	4.9
145.06451	1.4
145.10115	5.5
145.91930	1.3
147.11699	53.6
149.13235	4.1
151.07561	1.3
153.12813	1.6
157.10167	2.2
159.11662	2.3
161.05933	4.2
161.13214	2.3
163.07495	3.2
163.11168	9.1
163.14874	2.8
165.11417	2.2
165.12776	36.9
167.30511	1.4
173.06097	1.3
173.13275	2.3
175.11201	2.5
175.14862	1.9
177.06938	1.2
177.16316	1.5
181.06151	1.3
183.13838	1.7
187.14848	1.7
190.15944	12.5
192.13800	3.7
193.12225	3.7
201.05602	1.5
210.14856	1.9
229.14360	5.5
234.14870	5.7
251.17688	1.4
252.16003	4.6
254.12077	2.8
262.14481	7.5
265.08636	2.5
271.24115	1.3
279.17032	29.8
280.15436	51.5
283.09589	1.7
289.25323	2.4
297.07657	1.7
307.16516	7.7
307.26346	2.5
308.15012	7.0
325.10645	3.0
325.17499	1.8
326.15958	4.4
343.08255	3.5
343.12048	7.0
343.17386	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	343.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
53.51519	1.1
55.01892	1.5
56.05042	1.3
56.96585	2.2
57.03451	3.6
61.02948	4.9
66.04770	1.1
67.05521	3.8
67.13468	1.1
68.05038	1.2
69.03439	12.5
69.07084	1.7
69.14666	1.1
70.06606	10.7
71.05003	4.0
71.54205	1.2
72.08180	1.7
73.02937	2.8
79.05539	2.1
81.03421	5.9
81.07079	5.1
83.04977	1.4
83.06138	2.6
83.19416	1.0
84.04512	1.5
84.08171	3.8
85.02914	30.2
85.06586	3.3
86.09758	3.5
87.04457	2.7
91.05527	3.8
93.07051	7.3
95.04980	100.0
95.08636	3.7
97.02905	11.2
98.97621	1.9
99.04510	1.3
100.02253	1.4
105.07005	5.5
107.05010	1.0
107.08608	7.5
109.02930	3.5
109.06549	5.1
109.10207	3.2
116.07172	3.2
117.07089	2.2
119.04952	2.9
119.08667	4.0
121.06566	1.7
121.10160	6.4
122.02753	1.4
123.04460	2.7
123.08163	1.7
124.07684	1.9
127.03911	6.7
129.10315	3.6
130.07840	1.2
135.04515	1.4
135.11693	10.6
137.06065	3.5
137.09596	2.3
137.13310	4.4
139.03995	2.8
139.07594	1.2
145.05058	3.6
145.10165	9.1
147.04422	10.6
147.05328	1.0
147.11693	2.5
151.03995	2.8
151.11650	1.1
153.05571	1.3
153.12840	3.0
155.11911	1.1
159.16124	1.1
161.05954	5.9
163.03902	2.8
163.11200	49.2
165.05588	3.2
165.12848	3.4
167.07129	1.5
173.47658	1.1
179.03529	3.8
180.03802	2.7
181.05054	2.3
181.12242	45.0
191.03584	1.2
191.05508	1.3
191.07114	1.7
192.08003	1.8
200.14003	2.1
207.08089	1.6
223.13498	1.5
237.92010	1.0
265.08722	1.5
265.39804	1.0
308.11813	1.5
309.77838	1.3
313.07248	3.5
315.14594	2.5
325.07764	1.6
326.11768	1.8
341.93628	1.2
343.13840	45.7
343.17529	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	343.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.0
53.28473	0.3
55.01879	0.6
55.05517	14.1
55.05789	0.8
56.96578	0.6
57.03426	0.3
67.05511	3.7
69.03441	1.8
69.07072	1.6
69.49049	2.3
70.06577	0.7
71.04996	1.4
79.01871	0.4
79.05482	3.3
81.03410	0.6
81.07067	7.5
82.06580	0.7
83.04568	0.4
83.04987	2.5
83.08630	8.9
85.02916	1.1
85.06559	1.7
86.09728	0.8
91.05476	2.0
93.03436	0.4
93.07061	3.6
95.04977	4.5
95.08625	1.7
97.02922	0.5
97.06531	3.1
98.09702	0.7
98.97585	0.8
99.04466	0.8
100.11266	100.0
103.05482	0.5
105.07043	4.2
107.04947	1.0
107.08611	2.6
109.06523	4.9
111.04482	0.6
111.08115	0.7
113.06055	0.7
116.98627	0.5
117.07019	1.2
117.13916	1.6
119.04965	0.9
119.08615	1.6
121.02898	1.6
121.06509	1.9
121.10155	1.3
123.04492	0.9
123.08100	0.8
125.05998	2.9
127.07572	1.3
127.08691	0.7
129.07007	0.7
130.07771	0.5
131.08595	1.8
133.06538	1.0
133.10167	0.4
135.08096	0.9
135.11699	0.7
137.05984	4.2
137.76952	0.4
139.07617	0.6
139.08688	1.8
141.36957	0.4
143.07103	0.4
143.08551	0.8
145.10135	5.8
147.08054	0.5
147.11693	0.6
149.09659	0.7
151.03951	0.5
151.07588	0.6
153.05478	0.9
158.07297	0.6
159.11717	2.1
161.05992	0.9
163.03844	0.5
163.07582	0.6
163.11206	4.8
165.01857	0.6
169.10100	0.8
171.08061	0.5
173.05904	0.4
173.09618	3.5
177.05519	0.4
177.12708	0.6
179.03453	0.9
181.12257	1.1
182.15498	0.7
187.11156	4.2
189.12846	0.5
191.10690	2.6
197.09666	0.5
201.05554	0.4
204.06360	0.5
205.12224	3.6
209.11775	3.6
209.16490	12.8
213.05388	0.5
215.10693	4.6
223.13432	0.6
226.19200	0.5
227.12947	0.6
227.17578	4.8
233.11749	3.8
237.09003	0.4
246.14842	0.4
251.12738	3.9
255.06529	1.0
256.07388	0.6
271.06329	0.4
283.06042	4.2
284.06723	2.2
297.07581	20.4
300.06534	0.8
307.09521	0.7
307.15451	0.7
313.07080	0.8
325.07159	4.4
325.10635	0.7
325.16373	0.7
325.29541	0.9
326.28104	0.6
343.08167	18.4
343.12302	2.1
343.16641	2.0
343.30701	87.1
344.08502	0.7
344.18475	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01873	2.2
55.05511	2.7
57.03434	2.6
57.07072	1.1
61.02925	5.2
67.05486	1.0
69.03078	1.2
69.03434	14.3
69.07083	1.0
69.13819	0.9
69.22763	8.0
69.23174	1.7
70.06558	1.0
71.04976	3.1
73.02915	2.2
79.05501	4.0
81.03431	6.5
81.07069	8.4
83.04980	6.2
85.02909	36.7
85.81631	0.8
87.04461	1.5
91.03944	2.5
91.05489	7.8
93.07048	10.5
95.04977	19.3
95.08606	2.2
97.02901	9.9
97.06522	3.7
98.21521	1.8
99.04459	1.8
105.07027	8.9
107.04952	2.5
107.08591	10.2
109.02871	4.0
109.06532	2.1
117.06993	1.7
119.08612	5.7
119.09349	1.0
120.67056	1.0
121.06511	4.1
121.10147	12.3
125.06009	11.4
127.03922	7.9
130.07771	4.1
133.06477	1.6
133.10143	2.1
135.08078	1.9
135.11693	8.3
137.05951	2.0
143.08644	1.3
145.04984	6.6
145.10129	18.5
147.08009	2.1
161.06009	1.8
161.09598	1.3
163.03935	1.0
163.11189	100.0
165.08987	1.2
175.03911	5.1
175.11185	1.5
181.12221	20.5
183.10046	1.3
187.11206	1.2
193.12271	1.6
203.05321	1.1
205.12225	2.3
206.78351	1.2
219.60747	0.9
265.08563	1.1
343.13193	3.4
343.17340	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26939	4.0
51.97311	4.1
55.01872	11.0
55.05512	6.5
57.03432	10.6
57.07082	21.6
61.02918	11.4
67.05511	16.2
68.99788	5.0
69.03426	16.2
69.07060	11.3
71.55357	5.7
79.05503	11.3
81.07050	18.5
83.04994	9.0
84.57811	4.2
85.02915	10.1
85.06558	35.6
91.03938	4.0
91.05489	20.2
93.07072	9.9
95.04980	9.5
95.08608	12.1
97.02889	16.0
98.97594	4.3
105.07030	12.7
107.04981	4.9
107.08613	9.5
109.06522	13.5
109.10156	8.4
111.04443	4.2
112.07611	5.8
115.05429	5.2
119.04969	7.7
119.08624	5.7
121.02846	6.5
121.06536	8.8
121.10131	7.1
123.04466	8.1
127.04021	4.8
127.07523	4.3
129.07021	5.2
131.04922	4.5
131.08583	7.5
135.04413	7.5
135.08061	9.1
137.06010	28.2
140.07132	4.6
140.81342	3.8
143.04945	4.7
143.08649	8.2
145.06490	12.0
145.10144	5.9
147.04422	37.9
149.02397	5.8
149.06000	14.1
151.03920	14.9
151.07449	4.0
159.08078	6.3
160.05273	4.5
161.05971	10.3
161.28632	3.7
163.03891	10.8
163.07539	19.7
163.11160	12.7
165.01941	4.4
173.06070	8.2
175.03934	5.7
175.07523	16.3
177.05527	16.7
177.06929	4.5
177.09152	16.4
186.03212	4.5
187.07568	14.9
188.08333	4.2
189.05417	7.6
189.09093	23.5
191.07056	5.5
192.07887	7.9
193.05104	5.7
193.08659	7.4
199.07596	7.2
201.05455	22.3
205.04922	13.5
205.06581	11.8
205.08591	88.2
211.09644	19.4
217.08664	37.3
221.05992	5.6
222.06738	9.9
223.07671	5.0
223.09656	66.6
225.09196	6.4
229.08643	6.3
231.06528	6.9
233.06087	8.1
235.07961	3.8
235.09698	100.0
237.09161	15.8
243.10168	27.5
249.05614	4.5
250.06343	13.0
251.09225	8.8
253.10797	48.3
259.09708	10.9
261.11234	20.6
265.08640	26.1
271.09677	22.3
277.10748	25.1
278.05692	6.5
279.10202	4.5
283.09744	6.0
289.10672	40.0
292.07404	10.2
293.08044	25.5
295.11740	7.0
297.11160	8.6
307.12143	59.8
313.07144	4.2
325.10236	29.4
343.08121	7.6
343.11819	20.0
343.17432	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	343.118
Annotation	UWM6
Peak:m/z	Relative Intensity
55.01882	5.5
55.05516	6.8
56.96570	9.2
57.03444	5.0
61.02946	4.9
65.03963	5.7
67.05515	12.0
69.03442	6.5
69.07084	12.7
71.55533	4.9
71.55943	4.2
73.68390	3.5
79.05506	12.7
81.07072	28.0
84.82240	2.9
85.02923	7.9
85.06566	3.7
86.81551	2.9
91.05487	15.6
93.07066	7.2
94.04268	3.0
94.33662	2.9
95.04986	11.9
95.08608	17.7
97.02899	7.4
98.97598	5.4
102.21660	3.1
103.05496	8.8
105.07064	12.7
107.05011	6.2
107.08589	15.1
109.02935	4.5
109.06565	5.2
109.10169	7.5
111.04488	3.7
115.05460	15.6
116.98667	4.9
117.07018	7.8
119.04968	11.1
119.08601	7.3
121.06538	9.1
121.10186	6.6
122.03687	5.2
123.04430	3.8
123.11705	4.2
131.04922	7.8
133.06526	6.4
135.04469	6.3
135.08054	28.1
137.05997	65.6
139.05405	3.2
143.04968	9.3
144.61398	3.2
145.06520	7.7
147.04449	6.1
147.08073	3.7
149.06024	12.3
150.06790	4.5
151.03958	11.8
158.03616	5.3
159.04451	4.8
160.05208	7.1
161.06012	25.2
163.03992	3.9
163.07590	13.0
163.11198	5.1
165.07039	8.1
173.06021	7.3
173.13284	3.6
175.03964	10.7
175.07553	17.4
176.06184	5.5
177.05579	6.7
177.07060	16.2
179.08638	4.5
181.06480	5.2
186.03168	9.9
191.07076	6.7
192.07817	5.0
193.06563	7.4
193.18961	3.7
194.07269	22.1
201.05435	36.8
201.50090	3.3
203.07220	4.0
204.05811	3.7
205.06528	49.8
207.06552	3.9
211.07646	4.6
213.09082	3.6
215.02879	4.3
219.06444	5.0
221.06046	19.5
222.06773	32.6
223.07579	10.2
233.05977	34.3
234.06749	10.6
235.07422	3.4
237.09174	34.6
239.07166	7.6
247.07614	6.9
249.05435	15.8
250.06265	37.9
251.07060	12.1
253.05107	3.5
261.05460	5.7
264.07834	10.1
265.08655	76.1
266.09335	7.2
267.06595	13.6
273.07907	3.8
277.04996	4.1
278.05728	15.4
279.06390	3.1
279.10220	7.0
282.09012	11.7
283.09637	9.1
292.07257	30.8
293.08145	68.3
294.08679	7.7
295.06076	9.8
297.07983	6.8
297.11356	23.6
299.12701	4.3
307.09647	66.5
310.08328	10.1
311.09119	5.4
313.07217	9.0
315.12445	3.8
325.06952	8.5
325.10730	100.0
328.08981	3.9
343.08096	12.2
343.11911	45.0
361.02609	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	343.1179
Annotation	UWM6
Peak:m/z	Relative Intensity
53.03949	2.8
55.01884	3.2
56.96566	2.9
65.03963	2.8
67.05506	3.1
69.69854	13.3
71.04976	2.5
79.05513	5.6
81.07038	3.6
85.02887	3.0
90.62421	2.4
91.05489	14.3
93.07057	4.5
95.04964	6.6
95.08604	3.6
98.20810	2.4
98.97623	14.0
103.05472	6.4
105.07053	3.7
107.04953	5.5
107.08587	3.5
109.06516	3.3
110.08616	2.8
111.04542	3.6
115.05442	16.2
116.98576	3.1
117.07001	4.1
119.04929	8.3
119.08640	3.3
121.06501	6.8
122.03637	7.7
123.04415	3.9
125.06034	3.9
129.07025	3.4
130.04134	4.6
131.04936	4.6
135.04422	5.4
137.05017	4.5
137.05998	70.0
143.04939	8.7
145.06522	13.7
147.04425	8.1
149.05977	13.4
150.06784	6.5
151.03909	8.2
158.03700	3.7
159.04482	5.4
160.05209	9.0
161.05974	8.5
163.11220	6.1
165.07091	6.8
173.06055	12.8
175.03944	5.6
175.07558	16.3
176.06209	5.4
177.05598	5.4
177.07010	16.7
178.07802	5.5
179.08676	4.3
181.06499	5.8
186.03156	13.9
187.03868	8.4
189.05539	3.8
189.07065	3.0
193.06433	5.6
194.07309	19.9
195.08072	6.6
201.05453	45.7
204.05812	4.1
205.06503	57.1
206.07242	6.6
207.06358	3.9
207.08131	9.6
209.06027	2.8
211.07565	6.7
218.54561	3.0
219.01831	4.3
219.06493	8.8
219.08244	5.8
221.05986	18.6
222.06787	39.1
223.07542	8.0
233.05971	52.8
234.06740	14.2
235.07559	3.7
236.04626	4.2
236.08296	4.0
237.02841	3.0
237.09129	47.7
239.06996	7.5
240.07730	6.5
247.07587	11.3
249.05516	21.3
249.08049	3.1
249.09091	3.4
249.52362	2.6
250.06261	44.1
251.06993	16.9
254.09482	3.1
259.08411	2.7
261.05478	6.9
264.07791	17.3
265.08633	88.8
266.09372	6.4
267.06555	16.7
268.07281	4.5
277.04941	7.2
278.05771	22.2
279.06662	3.7
279.10266	7.7
282.08826	9.8
283.09680	17.1
292.07272	32.1
293.08084	79.9
294.08701	8.8
295.06021	6.0
297.11172	20.2
299.12878	3.5
301.09714	8.0
307.09674	85.1
309.07700	3.4
310.08353	11.2
311.09155	6.9
319.10599	7.8
325.10733	100.0
343.11713	12.3
357.99344	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	10.3
57.07083	16.5
69.03434	4.8
69.50796	11.5
69.51212	3.5
70.06600	6.6
79.11392	1.6
80.57132	1.7
80.94818	1.6
83.08616	4.9
85.02918	16.8
86.09702	2.3
89.06039	41.1
94.54888	1.7
94.64333	1.8
95.19991	1.9
97.02914	4.5
101.09663	17.3
107.07077	41.8
124.07661	2.8
136.64606	1.7
163.13309	100.0
183.15146	2.1
234.57651	2.0
283.06064	3.2
297.07645	9.9
325.07089	3.4
343.08173	11.6
343.12192	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87662	0.9
53.86081	1.0
56.96555	2.9
69.97874	5.1
84.93810	1.0
98.19974	1.0
98.21462	1.1
98.97591	20.5
101.00913	1.6
116.98632	12.6
119.01966	2.3
134.99678	2.4
137.05878	1.1
151.03923	1.5
161.06018	3.2
170.34802	1.2
170.36220	1.0
174.97675	3.5
176.97501	2.3
177.00978	8.7
178.01051	1.2
192.98804	1.6
194.98531	1.4
198.97739	1.8
200.97308	1.6
216.95416	2.5
216.98785	11.0
217.98860	1.4
218.98509	6.8
219.02019	16.8
219.03954	1.5
220.02077	3.1
221.01807	1.8
234.96527	2.6
234.99890	15.9
235.99979	3.3
236.99544	8.5
240.88518	1.2
240.98965	10.7
243.02072	4.2
252.97421	1.4
253.01091	1.6
258.96652	4.3
259.00006	39.0
260.00037	3.1
261.00259	2.6
261.03070	27.8
263.02832	1.8
264.98700	4.9
273.98730	1.5
276.97614	11.0
277.01068	22.1
278.01132	2.3
279.00671	2.9
283.00006	88.0
284.00064	8.5
284.99646	1.3
291.99866	1.7
300.97632	19.5
301.01013	100.0
302.01202	9.4
318.98645	25.6
319.02106	4.1
319.98093	1.7
324.02512	2.7
325.01071	15.3
342.00232	1.2
342.98703	5.6
343.02161	69.1
343.11798	2.8
344.02341	3.8
360.99203	10.7
361.03558	10.6
366.03885	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	342.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	6.8
67.81040	3.4
69.03419	8.7
70.06591	9.1
71.04987	3.9
71.08624	5.4
72.08193	3.8
79.05470	5.4
81.03422	7.0
81.07050	17.2
84.04536	3.5
85.02903	28.5
86.06123	5.2
97.02872	9.5
99.08099	20.7
109.06529	22.7
117.09137	100.0
123.04424	12.8
124.04773	9.5
127.07583	46.6
133.02840	8.8
134.03162	6.8
137.05945	5.3
145.04999	4.3
145.30698	4.0
163.03886	8.7
163.09668	22.6
177.05402	4.4
179.03403	60.1
180.03743	85.5
180.06366	4.8
180.08765	3.8
253.03273	3.8
343.13705	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51093	0.4
53.03940	2.2
53.25304	0.4
55.01874	1.3
55.05516	3.1
57.07075	0.6
60.04515	1.4
60.89323	0.5
63.78940	0.5
65.03951	0.6
67.05515	4.4
69.07068	2.3
71.54948	0.6
77.70286	0.5
79.05496	17.2
81.07065	10.9
83.04980	1.0
83.08607	1.1
85.06539	0.8
85.98547	0.5
86.53774	0.5
88.07626	0.5
91.05489	10.9
93.07053	25.3
95.04967	2.8
95.05492	0.5
95.08620	4.2
97.10175	1.8
103.05490	5.4
105.07037	5.4
107.04985	1.9
107.08607	12.0
109.06519	0.9
109.10167	0.6
115.51118	0.6
117.07014	4.0
119.08579	1.4
120.08115	100.0
121.06502	1.3
121.08444	0.6
121.10149	2.1
125.09656	1.8
129.07089	0.6
131.04919	2.6
131.08580	3.6
133.10135	5.3
135.08073	4.3
135.11708	11.5
141.07004	0.6
146.06053	1.6
147.04459	0.9
148.04831	0.6
149.02376	1.4
149.06026	1.3
149.09598	0.9
149.13278	9.2
150.02748	1.2
153.01881	1.7
154.02184	0.5
157.10202	0.5
159.11694	5.9
159.65219	0.5
162.45781	0.5
165.01813	0.7
166.02200	0.7
166.08652	37.4
167.03412	2.1
168.03748	1.0
172.13689	0.5
177.12767	19.9
186.09137	0.9
203.12782	1.6
204.07524	0.6
207.05664	0.5
221.08307	0.7
269.10458	0.7
273.07428	0.6
274.07938	1.3
283.62473	0.5
285.07724	0.7
286.07852	1.2
296.20114	5.4
313.07056	0.7
324.13254	1.0
332.15448	0.5
342.14172	1.3
342.20624	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	342.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03480	1.4
55.01873	0.6
55.05503	1.0
56.05034	3.0
60.04509	0.6
68.05029	0.5
69.03432	0.6
69.07077	3.6
70.06590	2.2
74.06075	0.8
79.05471	0.6
80.05014	1.2
81.07039	0.5
82.02947	3.5
83.06109	1.1
84.04522	2.5
84.08141	0.7
85.02889	1.8
86.09711	4.5
91.05473	3.0
94.02920	1.4
95.04953	0.9
95.08597	0.9
96.08133	1.2
97.07671	2.8
98.97572	0.5
99.05044	0.7
99.05594	6.7
102.05534	2.6
107.04937	0.5
107.08598	0.7
108.04459	1.9
111.05570	25.2
111.34269	0.4
116.07121	0.8
120.06585	0.6
120.08146	0.7
121.03973	0.9
122.09679	4.8
125.07125	13.0
126.05538	5.2
127.05043	3.3
127.05875	0.6
130.05013	0.6
136.07562	0.5
137.06010	1.9
138.06320	1.2
139.05032	43.0
139.12349	2.8
140.10741	0.5
150.09138	8.2
152.10689	2.0
153.06577	4.3
167.11816	18.0
168.10204	1.8
182.06348	2.4
195.11301	100.0
196.09747	1.1
196.11624	1.4
199.17958	0.6
205.06778	0.6
223.07410	0.9
223.10748	5.0
223.97252	0.5
241.11862	0.7
251.07164	0.6
278.15021	1.8
279.13373	1.7
282.08368	0.5
292.10583	0.8
296.09216	1.3
296.16086	1.8
296.74042	0.5
324.15613	24.3
325.15790	0.7
342.06836	1.0
342.16656	0.6
343.13498	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
53.79435	2.7
54.46623	2.6
55.05513	20.8
55.18374	2.5
55.96289	3.2
56.47403	3.0
57.07076	10.7
57.13013	3.1
59.05025	3.4
67.05511	26.2
69.07060	19.7
69.54711	22.1
70.02621	3.2
71.05005	23.5
71.08630	7.1
78.75668	3.2
79.05493	20.5
80.74560	2.9
81.07063	92.9
83.08625	12.4
85.06546	7.5
85.10198	5.6
91.05482	20.9
93.07053	71.2
95.04980	3.3
95.08615	79.6
97.10167	11.0
100.92434	3.0
105.07033	45.4
107.08608	62.9
109.06541	21.9
109.10161	52.5
111.08080	10.5
111.11711	5.3
113.09625	7.4
117.06996	7.1
119.08591	100.0
121.10146	53.0
123.11715	20.3
129.07080	3.2
131.08569	22.2
131.23474	3.4
133.10152	31.8
135.11688	32.8
137.09602	6.8
137.13321	5.5
142.07820	4.5
143.08556	6.5
145.10132	31.7
147.11703	29.6
149.02338	6.1
149.09799	4.6
149.13278	34.8
153.01822	12.8
157.10103	13.8
159.11719	57.0
161.13261	27.1
163.14838	35.0
165.01831	15.0
167.03447	4.9
169.10178	6.8
171.11703	14.5
173.13261	37.6
175.14833	14.1
177.12772	5.6
177.16405	5.6
183.02911	8.4
185.13298	7.7
187.14848	26.9
189.16354	18.0
191.18001	17.3
197.13245	5.9
199.14835	13.4
201.16402	15.7
203.18013	6.7
205.15977	3.8
211.14873	5.9
213.16354	17.1
215.18034	18.4
217.19534	5.3
225.16321	3.4
227.18004	21.5
229.19553	7.2
241.19594	4.3
243.21112	4.5
253.19441	4.2
257.22662	7.9
267.21280	6.5
271.24393	5.5
281.22601	5.9
283.24216	54.0
285.07623	16.2
297.25845	6.5
313.10529	4.0
323.27325	55.3
341.13519	6.4
341.28586	77.1
345.09500	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	341.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87100	0.7
55.05505	1.8
56.96564	2.3
58.99825	0.8
61.63886	0.7
67.05508	3.2
69.03429	1.1
69.07069	1.9
71.04984	0.9
71.46801	1.4
79.05493	2.0
81.07065	3.1
84.08152	1.3
86.09699	1.3
91.05478	1.7
93.07049	2.4
94.04192	0.8
95.08624	3.3
96.28210	0.7
97.02905	1.2
97.06527	0.9
98.97601	4.9
105.07053	2.4
107.04954	7.4
107.08604	1.9
108.16719	0.8
109.10169	3.7
110.97588	0.9
111.34827	0.8
116.98641	1.1
119.08537	1.0
119.18567	0.9
121.10155	2.1
123.11697	1.5
128.98602	1.0
129.07014	1.6
137.05988	7.2
145.96581	0.8
147.04443	1.3
151.03984	0.9
158.99727	2.2
159.08073	1.4
161.06006	1.6
162.06766	1.2
163.03940	1.3
167.07095	2.5
173.06502	0.8
175.07564	1.6
177.00760	1.4
177.05511	1.2
178.06059	0.9
187.07614	3.1
189.09125	1.5
191.07112	0.9
203.08635	1.3
209.08281	0.9
217.08556	1.1
218.23134	0.9
219.01765	1.2
219.08044	0.9
221.09857	0.9
223.11891	2.1
231.08118	1.4
234.06686	1.1
235.05937	1.3
237.02843	1.3
249.09521	1.9
253.08572	0.8
259.07776	1.1
263.09174	1.3
267.10782	5.5
275.09305	1.4
277.08478	1.1
279.10104	1.3
281.11707	1.6
285.11813	4.4
291.10245	3.0
309.11261	2.5
311.12814	1.1
313.10684	1.8
323.09418	0.9
323.13104	2.5
341.06693	2.6
341.15787	100.0
342.16055	1.5
351.26663	0.8
359.13931	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	341.1386
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.03940	3.9
54.53915	2.0
54.91074	2.2
55.01860	2.3
55.05510	6.9
56.96544	3.6
59.52363	2.2
59.60023	2.0
67.05508	13.1
67.07720	2.0
69.07085	11.1
69.47204	7.8
69.47616	6.3
71.04995	6.6
74.08367	2.6
79.05483	7.6
81.07076	17.7
83.05009	4.3
85.06544	5.7
86.09722	2.3
91.05466	8.8
93.07043	11.8
94.04208	4.4
95.04975	5.0
95.08608	13.1
97.06491	3.1
103.05431	3.7
105.07026	8.1
107.04948	8.5
107.08601	7.6
109.06500	5.8
109.10165	19.5
111.08057	3.8
115.05416	3.4
117.07005	2.9
118.40642	2.1
119.04925	2.5
119.08592	4.3
121.06494	3.4
121.10152	7.0
122.03660	9.5
123.11708	3.2
125.09501	2.4
129.07039	12.4
131.04915	4.9
131.08530	2.5
133.02853	3.0
133.10143	3.0
135.04379	2.4
135.11720	4.0
137.05989	100.0
137.09558	2.4
139.11127	2.3
144.05701	2.5
145.06503	2.6
145.10147	4.0
147.04369	2.2
147.11668	2.7
149.05983	6.7
149.09595	2.7
149.13246	3.1
151.07582	4.3
157.10187	2.5
159.11754	3.7
160.05301	2.8
161.05997	8.9
163.07591	3.2
165.05455	5.6
167.07072	5.7
174.06921	2.6
175.07568	28.5
177.05469	4.1
177.09079	2.9
187.03923	3.2
187.07550	27.2
189.09111	8.1
190.07864	2.8
191.08585	6.2
194.77570	2.9
196.05232	3.8
199.07600	5.0
201.09724	2.7
202.07750	2.8
203.08498	14.6
205.06627	5.4
205.48868	2.3
206.07394	2.2
207.08153	2.9
211.07553	11.0
217.08621	8.5
219.08060	9.8
220.08821	5.1
227.07043	10.7
231.08113	12.9
232.08783	4.0
234.06650	2.9
235.07372	2.8
237.09096	3.8
239.07118	12.1
240.07809	9.3
247.07562	6.9
248.08344	17.7
249.09146	5.1
251.07042	3.0
251.10712	8.1
253.08609	2.7
253.13776	3.8
255.06525	6.5
256.07217	5.5
259.07501	5.1
260.08304	3.5
261.09302	3.8
263.10693	16.0
265.08603	5.4
267.06668	2.3
268.07178	4.0
270.08929	16.5
271.09628	25.0
276.07831	9.8
277.08655	4.9
279.10214	10.1
280.11075	2.8
281.11722	6.3
283.09744	6.7
291.10187	42.5
292.10818	4.6
293.08038	5.3
296.10443	3.6
297.11087	2.9
305.24878	3.3
308.10532	3.9
309.11237	8.5
311.12762	10.2
323.12723	22.9
323.25647	2.6
341.06485	5.2
341.14075	20.2
341.19196	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	341.1386
Annotation	Licoflavanone
Peak:m/z	Relative Intensity
55.01883	3.4
67.01860	1.5
67.05486	0.6
68.99463	0.6
68.99786	3.3
69.03436	1.0
69.06725	0.9
69.07073	10.6
69.53414	4.7
70.31171	0.6
72.30759	0.6
73.40262	0.6
91.38083	0.6
95.04980	0.6
97.02917	1.0
98.20753	1.2
102.15725	0.6
103.05482	3.6
107.04964	1.2
111.00807	1.5
117.06985	0.8
119.04939	0.8
123.04476	0.6
125.02360	1.2
131.04948	7.2
133.06512	5.2
135.04445	1.3
139.03899	1.1
141.06929	0.7
145.06523	2.9
147.04401	3.9
153.01839	100.0
157.06523	1.7
159.04411	9.0
161.05922	1.0
165.01874	0.7
165.07011	1.2
167.76479	0.6
169.06511	2.4
171.02905	2.8
171.08040	0.8
173.05997	10.0
177.05490	1.4
179.03424	4.2
181.06499	1.9
187.07608	1.5
189.12775	1.2
193.06549	0.9
197.05988	5.0
197.09656	1.4
199.07553	3.7
201.05505	1.6
215.07036	4.9
215.10597	4.5
221.05992	7.6
225.05560	1.8
239.07068	2.3
243.06551	1.9
249.05492	2.5
257.08081	1.0
267.06543	44.9
273.07590	2.5
276.45706	0.7
285.07590	16.9
341.13855	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	341.1387
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.70775	1.0
55.01860	1.7
67.05502	4.2
67.39908	1.2
69.03441	1.9
69.07057	1.6
71.04999	5.4
71.13808	1.7
76.53442	1.0
79.05466	4.0
79.11464	1.0
81.07061	6.5
83.04959	2.0
85.06548	2.1
86.09705	1.4
87.04418	1.1
91.04057	0.9
91.05456	6.1
93.03390	1.2
93.07050	3.9
94.04175	3.4
95.04984	2.1
95.08595	3.0
97.06535	1.0
98.97654	1.1
105.07026	5.0
107.04973	6.2
107.08596	2.7
109.06541	2.5
109.10150	4.8
115.05466	1.9
121.06461	2.9
121.18545	1.0
122.03654	7.8
125.05988	2.1
128.06241	2.2
129.07001	6.9
131.04950	3.3
133.02849	7.2
133.06482	1.2
137.05981	100.0
141.06999	1.4
143.04938	2.0
144.05701	4.1
145.06470	2.7
145.10054	1.1
146.03624	1.1
147.04408	2.0
149.05991	4.0
150.06859	1.5
151.03876	1.6
151.07565	5.7
153.05492	2.7
156.05688	1.5
157.06543	6.0
158.07275	1.5
159.11586	1.1
160.05186	4.0
161.05972	3.5
162.06741	1.3
163.07571	3.6
165.05469	4.8
165.06825	1.5
167.07089	2.3
168.05658	2.0
169.06458	1.3
172.05176	4.5
174.06793	8.1
175.07558	17.5
177.05504	7.8
177.09100	2.6
178.07832	1.3
179.07092	2.1
187.07561	34.5
189.09074	12.9
191.07001	2.3
191.08592	3.1
192.09486	1.2
196.05214	4.1
197.06046	2.6
199.07533	3.0
202.07729	4.0
203.08585	11.9
205.06514	4.2
205.08490	1.4
206.07237	2.2
208.08781	1.6
211.07544	20.3
212.04678	2.5
213.05531	3.6
217.08594	12.9
219.08075	10.8
220.08818	6.8
221.09598	2.5
221.15175	1.4
225.05429	1.6
227.07042	14.0
228.07800	3.0
231.08031	17.7
232.08792	4.0
233.05989	4.1
233.09740	1.2
234.06744	2.0
235.07562	2.9
235.11203	1.8
236.08286	2.9
237.09102	3.6
239.07066	11.9
240.07849	13.5
241.08717	2.2
247.07640	9.6
248.08362	21.2
249.05530	1.4
249.09123	4.4
251.07054	1.3
251.10674	3.9
253.08656	2.1
253.12123	1.5
254.09476	1.7
255.06487	12.3
256.07321	9.0
259.07498	7.5
260.08276	2.5
261.05484	1.7
261.09106	2.8
263.10696	19.5
264.07831	2.8
265.08603	6.5
268.07281	4.2
270.08884	23.1
271.09665	39.8
276.07816	12.3
277.08557	7.3
279.06961	1.7
279.10107	11.3
280.10812	1.5
281.08163	3.2
281.11725	4.8
283.09586	11.5
291.10156	53.0
292.10849	3.1
293.08084	5.9
293.11307	1.8
295.09598	2.7
295.12793	1.1
296.10471	7.0
297.11185	3.5
305.11780	3.0
308.10382	7.2
309.11197	4.5
310.11899	1.2
311.12753	8.9
313.10745	1.2
313.14276	2.4
313.61935	1.1
323.12784	32.6
329.83044	1.1
341.06668	1.5
341.10059	2.7
341.13779	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	341.1385
Annotation	Licoflavanone
Peak:m/z	Relative Intensity
55.01881	2.9
59.05000	0.4
60.36990	0.4
68.99791	1.2
70.78242	0.9
70.78579	0.5
79.01871	0.9
81.03433	1.3
92.99771	0.7
97.02888	0.6
99.00828	1.1
107.04975	1.2
120.88753	0.4
121.06509	1.7
123.00771	1.9
137.02313	2.2
141.01839	4.4
152.90633	0.4
165.01854	100.0
166.02219	0.8
179.03453	0.6
183.02905	23.7
191.01939	0.5
191.03377	2.8
200.36578	0.4
221.08147	1.3
243.06679	0.8
285.07611	49.5
341.13815	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	341.1384
Annotation	Licoflavanone
Peak:m/z	Relative Intensity
51.02375	0.1
53.03954	0.1
55.01875	2.6
60.62606	0.1
65.03946	0.1
67.01869	2.5
67.05484	0.2
68.38248	0.1
68.99790	3.1
69.03431	1.3
69.07071	11.0
71.01340	0.4
71.47459	0.2
77.03939	0.2
79.01842	0.2
79.05492	0.4
79.75977	0.1
81.03415	0.2
81.07056	0.1
83.01343	0.3
91.05479	0.8
92.99741	0.1
95.04975	0.3
97.02888	0.7
103.05470	3.0
105.07035	0.6
107.04956	1.2
109.02851	0.2
111.00800	1.4
111.04436	0.3
114.13130	0.1
115.05484	0.4
117.07037	0.7
119.04955	1.1
119.66505	0.1
120.05737	0.1
121.02902	0.2
121.06543	0.2
123.04406	0.8
125.02349	1.0
127.03947	0.3
128.06223	0.3
129.01799	0.3
129.07019	0.4
131.04933	6.8
131.08568	0.4
133.06496	4.6
135.04416	1.1
137.02341	0.4
137.05914	0.2
139.03941	1.4
141.07028	0.8
144.05646	0.1
145.06494	2.7
147.04414	4.1
147.08061	0.4
149.02357	0.3
149.05971	0.2
151.03938	0.6
151.07498	0.1
153.01831	100.0
154.02142	0.6
155.06049	0.3
155.08549	0.3
157.06487	2.2
158.51222	0.1
159.04416	10.5
159.08012	0.8
160.05125	0.2
161.05971	1.2
163.03926	0.3
164.44939	0.2
165.01857	1.6
165.06995	1.1
166.02669	0.2
167.08597	0.2
169.06487	2.4
169.10130	0.3
171.02895	5.4
171.04201	0.2
171.08076	1.2
173.05991	10.3
173.09550	0.6
175.07579	0.3
175.11205	0.5
177.05486	2.7
179.01807	0.3
179.03397	5.0
179.08566	1.5
181.06453	1.3
182.07224	0.3
183.02899	1.0
183.04372	0.3
183.08075	0.5
185.05981	0.3
187.07550	1.4
187.11224	0.3
189.05473	0.3
189.12753	2.0
193.06540	1.0
197.05989	4.8
197.09608	1.7
198.06755	0.3
199.03876	0.2
199.07547	3.4
201.05460	2.1
205.06500	0.2
211.07558	0.7
213.05534	0.4
214.06285	0.2
215.07106	4.4
215.10654	7.3
217.08714	0.2
221.05983	6.4
223.03938	0.4
223.07547	0.3
225.05463	1.8
226.06366	0.1
229.08582	0.3
237.05640	0.2
239.07008	1.9
239.10704	0.2
241.04985	0.6
243.06531	1.8
249.05495	2.1
250.06067	0.2
257.08096	1.0
257.11584	0.3
265.04977	0.4
267.06525	35.8
268.06982	0.4
273.07596	2.1
285.07584	14.9
299.09100	0.6
299.12509	0.3
313.10828	0.1
323.12775	0.6
329.79633	0.1
341.13840	34.9
342.14224	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1387
Annotation	Moracin T
Peak:m/z	Relative Intensity
52.27633	0.3
53.03940	0.4
55.01649	0.4
55.01880	3.3
68.99799	1.2
69.03430	0.4
69.07034	0.3
71.06429	0.8
74.85319	0.3
79.01849	1.4
81.03417	1.2
91.05467	0.5
92.99770	0.6
97.02905	0.8
99.00792	0.8
107.04967	4.1
109.02872	0.5
119.04967	0.7
121.06528	2.3
121.50716	0.3
123.00811	2.5
137.02373	2.2
137.57706	0.4
141.01843	4.4
145.06467	0.4
147.04443	2.9
165.01854	100.0
166.02185	1.0
179.03429	2.4
183.02910	25.1
184.03290	0.4
191.03358	2.9
197.05928	0.4
221.08128	2.0
225.05548	0.5
243.06633	0.7
267.06558	0.6
285.07617	35.6
286.07764	0.4
341.13882	22.0
342.13885	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1386
Annotation	Licoflavanone
Peak:m/z	Relative Intensity
55.01870	3.3
59.72674	0.5
63.46334	0.5
67.01862	2.3
68.99799	3.6
69.03417	1.0
69.06727	0.8
69.07074	11.1
69.57411	3.3
71.01353	0.9
74.28477	0.5
83.48479	0.4
86.78864	0.6
91.05499	1.0
98.21394	1.1
103.05465	3.8
107.04965	1.3
109.58996	0.4
111.00818	0.9
119.04941	1.2
123.04439	0.7
125.02343	0.8
131.04944	8.8
133.06499	5.0
135.04414	0.9
139.03903	1.5
141.06981	1.3
145.06512	3.8
147.00684	0.7
147.04430	4.6
147.08003	1.0
153.01839	100.0
157.06499	1.5
159.04420	7.9
159.08031	0.7
161.06010	1.2
165.01851	0.8
165.07022	1.6
169.06511	2.8
171.02827	3.1
171.08083	0.9
173.06000	9.6
177.05438	1.3
179.03381	5.7
179.08542	1.2
181.06500	1.8
183.02859	0.7
187.07584	1.6
187.76918	0.6
189.12738	2.2
193.06436	1.4
197.05986	5.4
197.09669	1.4
198.06821	0.7
199.07561	3.8
201.05424	2.4
213.05544	0.8
215.07063	5.4
215.10608	5.0
221.05994	8.3
225.05496	2.0
232.77481	0.5
239.07040	2.8
239.26077	0.6
241.04915	0.9
243.06580	1.9
248.44354	0.7
249.05435	2.9
257.08038	1.1
267.06546	41.2
273.07388	2.6
285.07611	19.6
299.09079	0.6
341.13858	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	341.1387
Annotation	Crotin (chalcone)
Peak:m/z	Relative Intensity
50.27371	0.4
54.37827	0.5
55.01875	0.9
65.03938	1.5
70.72117	1.2
74.33612	0.5
77.36246	0.4
81.07031	1.2
91.05497	2.5
93.03418	0.8
94.32867	0.4
95.01331	1.0
105.03374	1.1
105.07018	0.8
107.04939	1.3
109.06510	1.2
119.04930	3.7
119.08571	1.7
121.02892	0.8
128.06248	0.7
129.07027	2.4
131.01277	1.4
133.02849	2.1
133.06558	0.7
135.04456	0.5
135.08087	0.4
144.05702	0.5
147.04422	8.5
147.08055	4.5
149.02356	35.5
151.03915	1.6
157.06541	1.1
160.05215	1.2
161.02341	9.6
161.05998	4.3
163.03886	2.6
167.03418	15.3
175.03899	2.5
175.07539	2.5
185.05992	3.8
188.04794	0.9
197.06010	0.6
203.07050	100.0
204.07353	0.7
221.08084	3.5
269.08154	4.5
281.11508	0.5
293.73325	0.5
323.12811	39.7
324.13120	1.0
341.13831	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1386
Annotation	Brosimacutin D
Peak:m/z	Relative Intensity
53.00323	0.4
56.75804	0.3
64.21271	0.3
65.03942	3.0
67.05497	0.7
70.67050	0.7
74.37482	0.2
81.07051	0.5
85.06576	0.5
86.54726	0.3
89.10597	0.3
89.39260	0.2
90.86777	0.2
91.05489	2.2
93.03410	2.2
95.01344	1.0
95.04955	0.3
95.95665	0.2
99.08086	0.4
105.07098	0.3
105.17336	0.3
107.04960	1.3
109.06558	0.3
113.74572	0.2
117.07070	0.3
119.04961	3.3
119.08603	1.0
121.02876	3.0
121.06503	0.5
125.52940	0.3
129.06998	1.3
131.01305	4.0
132.05772	0.3
133.02856	0.6
137.02356	5.1
137.06033	0.3
147.04424	9.2
147.08063	5.2
149.02351	100.0
150.02667	0.6
151.03882	0.6
153.01857	0.3
157.06479	0.6
161.02344	6.5
161.06017	1.7
161.09662	0.4
163.03882	1.3
167.03413	55.9
168.03835	0.5
175.03923	0.6
175.07564	1.3
177.05498	1.3
179.03462	0.3
185.05998	1.2
203.07048	27.8
204.07324	0.3
221.08102	50.2
222.08488	0.6
234.29131	0.3
239.09258	0.3
269.08112	35.6
270.08481	0.7
281.08096	4.7
323.12799	28.6
324.13177	0.4
341.13855	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	341.1384
Annotation	Brosimacutin D
Peak:m/z	Relative Intensity
53.00309	0.6
53.03939	0.6
59.04991	0.6
64.27283	0.4
65.03947	2.6
67.05519	0.5
68.37512	0.5
69.07050	0.6
71.06415	1.0
77.83062	0.5
79.05526	0.5
81.03414	0.7
81.07054	0.7
85.85455	0.5
91.05492	5.0
93.03408	1.4
95.01337	0.6
103.09213	0.6
105.03372	0.8
107.04982	3.5
109.06525	1.1
119.04956	9.8
119.08607	1.1
121.02869	1.6
123.04427	1.1
125.74384	0.5
129.06992	0.7
131.01297	1.3
131.04956	1.2
133.02861	1.4
137.02351	10.0
141.06989	0.6
143.04941	0.7
147.04430	30.4
147.08075	4.4
149.02361	46.6
161.02353	8.9
161.05980	2.3
163.03911	7.8
167.03424	23.0
167.08578	1.3
169.06517	3.6
171.04431	2.4
175.03903	1.0
175.07617	1.6
175.70540	0.5
177.05553	1.1
185.05994	2.0
185.09610	1.0
195.08081	2.7
197.06000	10.3
198.06599	0.6
199.07594	0.9
203.07060	35.1
213.09138	2.0
221.08121	9.1
223.07587	1.6
227.07060	0.7
251.07014	4.1
253.12483	0.6
263.07031	1.5
269.08121	10.0
269.12488	1.0
277.12204	0.6
281.08081	4.3
305.11685	1.3
323.12820	9.8
341.13873	100.0
341.28494	1.9
342.14410	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1386
Annotation	Kanzonol A
Peak:m/z	Relative Intensity
53.03944	0.6
55.01866	1.4
56.96568	0.6
65.03915	0.5
67.05499	1.0
68.99789	2.0
69.03423	0.6
69.53146	3.2
79.05502	0.5
81.03420	7.8
91.05473	0.9
95.04950	1.2
96.02145	0.7
98.20709	0.4
105.03306	0.4
105.07051	0.7
107.04965	3.3
109.02911	0.6
111.04462	1.2
112.09098	0.5
115.05502	0.7
117.03406	0.5
117.07019	0.4
119.04952	2.2
123.04446	15.7
127.03941	0.9
128.06212	1.7
129.06992	1.3
131.04927	0.7
131.08565	0.6
133.10114	0.4
135.04449	1.8
137.02354	100.0
138.02711	0.6
139.03914	1.7
139.62318	0.4
141.07011	1.0
142.07813	1.4
143.04953	0.7
143.08560	0.8
144.05803	0.9
145.06493	1.1
147.04436	4.8
149.02370	0.8
152.06265	2.4
152.96190	0.4
153.07021	1.0
155.03386	2.2
155.08606	0.5
157.06438	2.3
157.10107	0.7
159.08086	1.6
161.09662	2.1
163.03929	17.4
165.05609	0.5
165.07018	2.0
167.03391	0.8
167.08572	4.7
167.09933	0.7
169.06500	1.0
170.07266	2.1
171.04446	1.5
171.08064	8.1
181.06508	2.5
183.08080	1.2
185.06058	1.0
185.09627	3.8
187.07535	0.7
187.11172	1.3
195.08080	25.6
196.08810	1.2
197.06033	1.6
198.06801	3.8
199.07550	0.7
203.07071	0.7
211.07657	0.9
213.09135	14.9
231.10194	0.6
251.07147	0.7
263.07040	0.8
269.08017	0.5
281.08234	0.8
281.11600	0.6
285.06747	0.6
287.10657	1.5
289.08578	1.1
290.09341	1.6
305.11740	9.0
305.15042	0.7
308.10535	1.5
323.12817	51.0
341.13745	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1386
Annotation	3'-(2-Hydroxy-3-methylbut-3-enyl)-4,2',4'-trihydroxychalcone
Peak:m/z	Relative Intensity
55.01882	1.1
55.05521	1.1
56.96566	1.6
59.05010	2.1
65.03934	4.6
67.05497	2.3
69.07073	1.6
69.93367	4.9
74.02938	1.1
78.18201	1.0
79.05509	2.6
81.03439	1.7
81.07057	4.1
91.05482	10.9
93.03388	2.7
93.07031	3.3
95.01337	1.7
95.04946	1.1
95.08592	2.3
98.21266	2.7
98.97605	1.4
105.07021	2.0
107.04976	6.6
107.08562	1.1
109.06512	1.7
117.07050	1.2
118.95950	1.2
119.04955	24.7
119.08599	3.3
121.02864	4.0
121.10205	1.2
123.04475	1.4
124.61124	1.0
129.06990	1.6
131.01297	4.9
131.04898	1.2
132.05707	1.7
135.04451	1.3
137.02328	4.0
137.05988	2.9
138.98601	1.1
147.04422	76.7
147.08038	14.1
149.02350	100.0
151.03998	1.2
161.02357	30.5
161.06001	4.1
163.03922	10.1
165.01897	1.2
167.03410	77.6
175.04057	1.4
175.07567	3.7
177.05498	5.8
185.06038	3.8
187.03891	1.5
203.07037	75.4
210.15062	1.5
221.08093	38.0
227.06917	1.1
248.08580	1.5
263.07025	3.7
267.06726	1.3
269.08078	28.2
273.07617	1.3
281.08102	50.8
291.09976	1.3
323.12790	87.2
324.13110	1.4
341.13864	62.1
341.19714	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	341.1386
Annotation	Arugosin I
Peak:m/z	Relative Intensity
54.26636	0.8
55.01867	2.7
55.05500	0.8
61.02924	1.3
65.03937	3.0
67.05507	1.5
69.03448	1.1
69.07073	41.9
70.59349	1.8
70.59717	1.8
79.05507	2.0
81.03436	3.7
81.07072	1.3
91.05486	2.5
93.03419	2.4
95.04970	2.0
98.97606	1.0
105.07043	0.9
107.04966	39.7
119.04966	4.0
119.08599	1.3
121.02867	11.1
121.06535	2.0
123.04436	6.9
129.06958	1.0
129.08931	0.8
131.01257	4.0
135.04393	4.5
137.02348	28.8
139.03879	1.0
141.07001	1.6
147.04436	2.1
149.02353	70.8
151.03938	3.9
152.06294	1.5
153.07018	4.0
155.08592	3.8
157.06509	2.3
163.03929	11.0
165.01874	3.2
165.07031	17.5
167.03418	51.4
167.08617	2.4
168.05670	1.0
169.06531	2.1
171.08099	1.7
179.03464	2.0
181.06482	1.5
183.02925	3.6
183.08075	13.1
191.03452	2.7
193.06538	3.5
195.08029	5.8
197.06000	2.5
198.06769	1.1
199.07632	1.8
205.08621	33.8
210.06757	1.4
211.07564	29.0
213.05434	1.1
213.09201	5.4
219.10265	1.4
221.06071	1.8
221.08061	1.9
226.06253	8.2
227.07106	4.0
238.06242	6.4
239.07048	100.0
240.07385	1.4
247.09697	4.3
255.06528	2.9
257.08118	2.5
267.06500	7.8
267.13794	9.2
285.07565	14.1
294.12543	3.3
295.13303	42.0
296.13553	1.1
305.11847	1.6
323.12790	28.1
341.13889	13.5
341.21133	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Moracin T
Peak:m/z	Relative Intensity
50.35513	0.5
55.01869	1.9
58.60032	0.5
68.99805	1.0
69.62384	3.3
69.62787	1.2
79.01849	0.6
79.43657	0.5
81.03418	1.2
83.40023	0.6
83.40677	0.5
83.99235	0.6
86.77662	0.5
92.99773	0.6
95.12680	0.5
98.20700	0.6
99.00816	0.6
107.04944	0.8
109.77975	0.6
121.06485	1.3
123.00793	1.6
137.02327	2.1
141.01842	4.7
147.04445	1.2
149.02325	0.8
153.01778	0.7
165.01842	100.0
166.02263	0.9
168.03737	0.5
179.03459	1.0
183.02899	26.2
191.03400	2.5
210.07753	0.6
221.08101	0.7
267.06552	0.8
285.07587	68.4
323.13000	0.7
341.13821	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	341.1386
Annotation	Crotin (chalcone)
Peak:m/z	Relative Intensity
53.49372	1.0
55.01871	2.0
68.99821	1.0
69.83369	1.0
70.72107	2.6
71.98566	1.0
74.86686	1.2
91.05516	4.2
96.53809	1.1
103.91827	1.1
105.03387	1.1
107.05014	1.2
109.06511	1.7
119.04964	4.3
119.08589	2.2
121.02925	1.4
121.06525	1.1
123.00780	1.6
129.07002	2.1
133.02858	1.5
137.02388	2.0
141.01862	1.6
147.04430	9.1
147.08067	4.7
149.02359	17.9
160.05205	1.6
161.02368	13.4
161.05983	4.3
163.03931	4.1
165.01857	44.6
167.03412	10.0
175.07571	3.4
183.02893	9.9
185.05997	6.3
203.07045	100.0
204.07390	1.3
221.08118	8.3
269.08157	3.2
285.07605	22.9
323.12793	36.5
341.13843	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	341.1385
Annotation	Glepidotin B
Peak:m/z	Relative Intensity
53.03955	1.1
55.01874	2.9
55.05505	1.9
56.96554	0.8
57.03438	0.8
59.92987	0.7
61.02936	1.6
67.05494	2.8
69.03415	1.9
69.07063	2.2
71.55180	0.6
71.55586	0.9
79.01817	0.7
79.05489	2.4
81.03427	3.7
81.07064	3.4
83.08620	1.8
85.02890	1.7
85.06519	0.6
91.05483	3.7
93.07046	2.4
95.04962	2.1
95.08586	2.1
97.02887	3.4
97.10177	1.4
105.07027	2.3
107.04958	5.0
107.08591	1.7
109.02957	0.8
109.10165	1.0
117.07053	1.0
119.08568	1.5
121.02892	2.4
121.06521	2.8
121.10130	1.7
127.03943	1.0
129.06984	0.7
131.08592	1.3
133.10136	1.0
135.04427	3.5
137.02312	2.5
137.04816	0.6
137.05994	2.0
141.01830	5.1
141.07033	0.7
145.10162	1.1
147.04399	0.8
147.08009	1.0
147.11658	0.8
149.02344	7.5
153.01830	2.6
157.10172	0.9
159.04353	0.7
159.11652	1.0
161.05930	0.8
161.39668	0.6
163.03947	1.4
163.41101	0.6
165.01851	100.0
165.07059	1.5
167.03415	6.2
173.06708	0.6
179.03326	0.9
183.02907	49.9
187.07982	0.9
191.03374	3.6
193.04979	1.2
193.12209	0.9
205.08672	1.2
211.07495	1.8
215.11218	1.3
229.15645	0.6
233.10092	0.7
239.07114	6.3
243.06464	1.2
251.11346	1.9
252.11488	1.3
257.08197	1.9
267.06625	1.3
269.12427	7.3
270.12616	4.4
271.11987	1.3
285.07596	92.3
286.07877	1.2
292.93021	0.6
295.13397	1.7
305.46045	0.6
313.10672	1.8
323.09314	0.7
323.12582	1.4
323.19812	0.7
341.06781	1.4
341.10269	1.1
341.13828	8.8
341.20978	5.5
341.24847	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1386
Annotation	Aphyllodenticulide
Peak:m/z	Relative Intensity
51.21910	0.7
51.73879	0.5
53.33999	0.6
55.01871	1.3
65.03941	0.8
66.17622	0.5
68.99794	1.7
69.73907	2.8
81.03435	5.7
91.05441	0.7
103.05494	1.0
107.04986	2.8
111.04437	1.2
115.05511	0.6
119.04960	1.3
121.06448	0.7
122.56201	0.6
123.04453	6.0
128.06215	1.4
131.04967	3.9
131.05824	0.7
132.26913	0.5
133.06494	2.3
135.04446	1.4
137.02350	92.1
139.03879	0.6
141.06975	0.8
142.07787	1.1
143.04976	0.9
143.08582	1.1
145.06526	0.6
147.04402	5.2
149.02345	6.7
152.06224	1.5
153.07018	0.9
155.03398	3.2
157.06485	3.5
157.10103	0.7
159.04439	4.0
159.08099	1.0
161.02367	1.5
161.05991	1.0
161.09662	0.9
163.03923	9.9
165.07040	1.0
166.07990	0.7
167.03497	3.0
167.08600	4.3
169.06509	2.0
170.07307	1.5
171.04440	5.9
171.08055	6.9
173.09567	1.0
175.03816	0.7
175.07530	0.8
177.05409	0.9
177.06880	0.8
181.06447	2.3
183.08110	1.9
185.06065	1.7
185.09627	7.2
187.11211	1.5
195.08089	13.0
196.08783	0.8
197.05948	3.3
198.06746	2.4
199.07565	5.9
203.07048	10.4
204.19925	0.7
211.07603	1.1
213.09125	14.9
221.08133	3.3
223.07634	2.5
226.06102	0.7
227.07088	5.4
231.10208	5.7
241.08675	2.2
251.07080	5.1
269.08078	11.2
281.08224	1.3
281.11783	0.7
290.09439	1.4
293.08176	0.6
305.11801	3.2
306.38367	0.6
323.12784	17.0
341.13867	100.0
342.14172	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	341.1386
Annotation	Psorachalcone A
Peak:m/z	Relative Intensity
55.01877	1.9
57.03441	1.5
61.02916	1.3
65.03940	3.2
68.99797	8.2
69.07059	1.5
70.05830	2.4
70.06203	4.6
79.05497	1.5
81.07063	2.0
91.05489	12.9
93.03430	2.0
98.20861	1.7
105.07018	5.4
107.04973	5.9
107.08638	5.4
108.48105	1.1
109.06532	1.2
115.99816	1.0
117.07017	1.8
119.04956	22.2
119.08619	5.5
121.02885	3.7
128.06252	2.4
129.07027	9.2
131.04895	1.3
131.08502	1.3
133.02856	1.6
133.06487	1.6
135.08061	3.1
137.02370	1.6
143.29117	1.1
144.05733	1.3
147.04427	51.3
147.08084	11.6
149.02338	13.6
151.03871	1.6
157.06522	3.2
160.05214	4.4
161.02364	12.9
161.05989	4.2
163.03911	4.2
167.03427	15.1
175.03885	3.4
175.07570	11.0
179.03348	1.6
185.05978	7.3
186.77020	1.1
203.07054	100.0
221.08118	22.7
227.06943	2.1
229.08661	1.7
269.08084	8.5
323.12796	56.4
340.65997	1.8
341.13852	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	341.0872
Annotation	AESCULIN
Peak:m/z	Relative Intensity
57.03437	0.3
57.89724	0.2
61.02917	0.6
69.03437	1.1
70.53893	0.4
70.54221	0.4
79.47344	0.2
81.03404	0.4
83.87770	0.2
85.02908	2.0
87.04433	0.2
89.03919	0.3
95.04991	0.2
97.02901	0.7
105.03375	0.6
109.02902	0.5
114.76422	0.2
117.03405	0.4
123.04439	9.8
127.03936	0.2
133.02866	9.9
135.04411	1.9
145.04938	0.3
148.71445	0.3
151.03908	3.9
179.03404	100.0
180.03720	0.7
341.08768	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.01875	0.2
56.96558	0.8
57.03432	0.4
61.02918	0.2
65.03951	0.2
67.12867	0.2
69.03437	1.2
70.06590	0.6
71.04989	0.2
71.55298	0.3
73.02924	0.2
73.04745	0.2
77.03914	0.3
79.05498	0.3
81.03420	0.6
81.07103	0.2
84.08154	0.3
85.02904	2.2
87.04483	0.2
89.03924	0.4
91.05465	0.3
95.05016	0.2
97.02895	1.2
98.97593	0.7
99.04465	0.4
105.03401	0.6
105.07008	0.3
107.04959	0.3
109.02886	0.5
109.06509	0.2
111.05594	0.2
117.03393	0.4
123.04433	9.8
127.03913	0.6
131.04959	0.2
133.02861	8.8
133.06488	0.3
135.04417	1.7
137.05959	1.0
145.04990	0.3
147.04446	0.5
151.03908	4.0
163.03932	0.2
165.05521	0.2
177.05470	0.2
179.03409	100.0
180.03754	0.7
187.07507	0.4
189.78336	0.2
195.11258	0.3
207.03291	0.3
217.08672	0.2
221.07585	0.3
231.08081	0.3
248.08267	0.2
260.04480	0.2
279.10126	0.2
280.12988	0.2
291.10254	0.4
313.10764	0.3
314.84003	0.3
323.12665	0.4
341.06000	0.3
341.08755	0.6
341.12454	0.7
341.17352	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03588	1.0
53.03962	1.7
55.01884	2.0
55.05497	4.5
56.60904	1.0
56.96559	1.4
57.03423	1.7
57.07069	1.4
61.02936	1.2
62.27716	0.9
67.03676	1.2
67.05499	5.5
69.07069	10.6
70.66949	2.4
70.67311	2.1
71.04994	13.6
79.05498	12.0
81.07056	4.7
83.04993	5.2
83.08637	2.1
84.04526	1.8
85.02925	1.7
85.06554	7.1
86.09713	100.0
91.03928	1.2
91.05480	10.9
93.07059	13.3
95.04969	3.9
95.08606	2.1
97.02881	1.1
97.06543	1.9
99.08105	1.8
100.11235	5.9
103.05478	1.7
105.07041	13.3
107.04953	5.7
107.08604	19.1
109.06513	2.9
110.06071	1.1
111.04446	8.2
114.80284	1.2
117.07016	5.2
119.08600	10.3
121.06528	6.7
121.10168	10.7
123.04482	2.0
128.06213	1.1
128.10707	4.4
129.06999	4.4
130.07689	1.3
131.04950	1.4
131.08572	21.9
132.10214	26.9
133.10069	1.5
135.04414	3.2
135.08054	2.6
135.11684	2.1
137.05959	1.8
137.09630	5.6
145.02846	1.2
145.06476	2.0
145.10141	14.2
146.61652	1.2
147.04402	1.6
147.08034	5.6
147.11650	2.5
149.05994	2.2
149.09634	39.8
153.05487	1.6
161.05928	1.9
161.09605	1.2
163.11197	17.7
165.09132	4.2
165.12766	1.2
167.07051	2.1
167.10692	44.2
173.09676	6.8
178.05858	2.1
182.15437	2.0
187.07530	1.0
191.10689	28.7
194.52943	1.1
206.15456	1.8
209.11732	39.2
210.14958	8.9
210.16801	1.5
211.15408	1.1
227.17569	2.6
238.14384	2.4
252.15964	2.1
256.15350	1.6
258.18481	3.6
276.19608	18.1
281.11600	1.8
294.20654	11.4
304.18896	2.4
309.11115	1.9
322.20172	17.5
340.05844	3.0
340.12802	2.7
340.21246	9.4
341.13879	1.5
343.30533	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	339.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
55.05522	3.7
56.96554	1.8
57.03436	1.5
57.07069	1.0
65.03937	0.9
65.87830	0.7
67.05511	18.3
69.07073	4.9
69.12547	0.6
70.48907	1.9
71.05000	0.8
77.03909	0.7
78.04743	0.8
79.05070	0.8
79.05502	10.6
81.03427	1.9
81.07064	22.0
83.04984	1.0
83.08600	1.4
85.06561	0.6
86.09718	10.0
87.10036	2.7
91.05486	9.5
93.07053	12.2
95.04968	1.9
95.08615	16.2
97.06530	1.1
97.10160	1.6
98.97580	2.6
99.08116	0.7
105.03393	2.4
105.07042	6.8
107.04956	1.5
107.08611	9.4
109.10163	11.1
111.08109	1.0
116.98631	2.0
117.07023	2.8
119.04955	2.1
119.08587	4.2
119.85942	0.7
121.06515	100.0
121.10136	9.3
123.11749	4.7
125.09641	0.8
129.07022	0.9
131.08594	3.5
131.81012	0.8
133.02873	3.7
133.10146	5.6
134.10510	1.1
134.99646	0.7
135.11700	6.3
137.13313	0.8
145.06523	0.8
145.10126	4.2
146.11801	1.8
147.04404	4.9
147.11681	3.9
149.02361	5.1
149.13290	3.7
150.33937	0.7
151.03909	2.8
151.11191	3.0
152.11505	1.5
157.06502	0.7
159.11725	3.7
161.02357	17.1
161.05992	1.1
161.13290	1.3
162.71564	0.7
163.14835	1.7
167.03419	4.9
173.13289	3.4
175.11258	0.7
179.03401	11.1
187.14885	0.7
191.07094	0.8
193.12321	0.7
201.05498	1.4
219.06552	1.7
222.42595	0.7
225.33720	0.7
229.04994	2.0
229.19493	4.5
239.06798	0.8
247.20604	17.8
247.23135	0.9
255.06572	3.2
256.96539	0.7
265.21555	0.9
267.09311	1.3
274.97403	3.6
279.21524	2.8
281.08081	6.0
283.06055	10.8
283.16962	3.8
284.06915	1.0
285.09961	1.1
292.98636	1.3
295.06207	0.8
321.24332	2.3
339.12326	21.0
339.16074	5.4
339.25281	3.6
340.12674	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2533
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
52.61712	0.9
53.03936	1.1
55.01872	1.2
55.05515	49.5
56.14030	0.8
57.03432	2.4
57.07075	2.8
67.05514	8.4
69.03429	3.9
69.07074	23.5
69.90816	4.1
69.91167	1.2
71.05004	1.8
71.08631	1.4
79.05499	4.9
81.07065	29.8
83.05002	1.9
83.08626	5.3
85.06554	4.1
87.04523	0.9
87.08117	1.5
89.03928	1.4
91.05502	3.0
93.07059	9.6
95.04958	3.1
95.08613	33.5
97.02861	1.3
97.06550	2.3
97.10178	100.0
98.10465	1.0
98.21406	1.3
98.97578	1.3
99.08093	2.3
101.06001	2.5
103.05471	0.9
105.07041	7.8
107.08593	10.5
109.06544	2.1
109.10168	12.6
111.08076	2.9
111.11742	1.6
117.03383	3.4
119.04935	1.1
119.08592	8.3
121.06519	1.3
121.10147	7.7
123.08096	2.8
123.11703	6.8
124.35412	1.0
125.09637	17.9
127.03911	0.9
131.08598	2.6
133.10115	3.9
135.11694	6.0
136.78448	0.8
137.05988	1.8
137.09627	2.2
137.13274	3.0
139.11224	4.3
141.09135	1.7
143.10692	37.2
145.02852	7.3
145.10126	2.5
147.04408	3.2
147.11732	3.9
149.09645	1.1
149.13228	5.1
151.07585	1.8
151.11165	1.3
151.14865	4.6
153.09065	1.3
157.12207	2.2
159.11731	3.7
161.05925	0.9
161.09634	0.9
161.13295	5.0
163.03920	3.0
163.11145	1.8
163.14818	1.7
165.09177	1.0
165.12759	2.3
167.14336	2.8
171.10274	4.1
173.13206	1.4
175.14835	1.9
177.05504	14.0
177.12849	2.3
177.16385	1.3
179.14311	5.0
189.11249	6.6
195.13861	1.8
205.15924	1.1
219.08101	1.5
233.15796	0.9
235.07489	1.1
247.07608	2.1
247.17041	1.2
275.23648	2.1
277.08578	1.2
277.21619	1.1
278.09299	1.3
279.10159	2.5
283.09818	1.5
293.24759	2.8
303.23224	8.8
307.09839	1.5
309.24377	1.5
311.12830	1.7
321.24237	46.1
322.24481	1.4
339.12039	5.5
339.25415	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2532
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03946	2.7
55.01867	2.3
55.05513	54.3
56.96554	3.0
57.03434	3.9
57.07067	5.9
59.04977	1.8
65.03957	3.5
67.05510	16.3
69.03437	12.0
69.07070	28.9
69.89055	7.8
71.04984	3.7
71.08624	1.8
73.75565	1.4
79.05499	10.5
81.03410	2.7
81.07064	40.2
83.04970	4.4
83.08625	5.7
85.02884	3.6
85.06527	4.8
86.09700	1.8
89.03909	3.1
91.05492	12.4
93.07047	18.8
95.04965	9.6
95.08611	39.9
97.02912	3.3
97.06513	4.0
97.10176	100.0
98.20763	1.5
98.97577	4.2
99.08102	2.7
101.06062	3.2
105.07034	13.1
107.04946	3.1
107.08604	17.6
109.02874	1.5
109.06509	4.7
109.10166	19.6
111.04485	1.5
111.08103	6.9
111.11777	1.9
116.98624	1.7
117.03380	9.6
117.07017	3.3
119.04944	6.5
119.08577	12.0
121.06535	2.7
121.10152	14.8
123.04420	4.7
123.08052	3.5
123.11712	12.1
125.05972	3.0
125.09635	17.9
127.03920	3.3
127.11173	2.1
128.06229	1.6
131.08563	4.4
133.06543	1.9
133.10144	8.0
135.08031	1.9
135.11685	7.7
137.05986	7.4
137.09595	5.1
137.13263	3.9
138.77290	1.5
139.11201	6.7
141.09035	1.9
143.10690	39.7
145.02856	20.7
145.10107	6.1
147.04407	7.1
147.08020	1.7
147.11693	8.9
149.02327	1.8
149.05981	5.2
149.09607	2.2
149.13272	5.9
151.07520	3.9
151.11171	2.9
151.14821	5.0
153.12709	1.7
157.06659	1.5
157.12248	3.0
158.99548	1.4
159.08083	2.7
159.11728	6.6
161.09647	2.7
161.13268	6.0
163.03940	4.2
163.11151	2.3
163.14825	2.1
165.09096	4.1
165.12802	2.9
167.03407	3.2
167.14346	2.4
169.10126	1.4
171.10181	3.9
173.09631	1.6
173.13260	2.0
175.14838	2.6
176.14407	9.8
177.05484	45.7
177.12785	2.8
179.14276	4.9
185.06006	1.8
187.11191	1.8
187.14809	3.1
189.05486	2.3
189.07019	1.7
189.11215	6.3
189.16444	2.0
190.07787	2.9
191.08458	3.3
195.13815	2.6
201.16422	2.2
205.06546	2.1
205.15808	2.1
208.08803	2.1
209.68318	1.5
218.07318	3.9
219.08084	6.1
221.05939	3.1
235.07594	3.5
236.08232	2.1
239.06628	1.4
246.06689	1.6
247.07513	3.3
247.17000	1.8
248.08347	1.6
249.05553	2.4
249.09154	1.6
250.09926	1.9
251.10765	5.0
257.22757	1.5
261.09186	2.4
263.07031	2.4
264.07831	5.5
265.08557	2.8
275.23737	2.7
277.08551	2.1
278.09430	2.3
279.10123	5.0
281.08020	3.0
285.22119	1.6
292.07114	2.1
293.08014	2.4
293.25000	1.7
296.46320	1.5
303.23206	12.4
307.06384	1.9
307.09595	10.2
308.10361	2.3
309.24072	1.8
311.12842	15.1
321.11441	3.5
321.24216	42.5
324.09833	1.5
339.08463	5.0
339.12213	27.0
339.16074	9.1
339.25336	6.8
340.19266	8.1
355.05780	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.1
56.96570	65.2
57.03437	3.9
57.07067	2.4
59.01239	2.5
67.05507	23.1
69.03427	6.6
70.06590	5.6
71.04998	100.0
71.39083	5.2
73.02911	3.1
74.97606	3.6
79.05466	5.9
81.07068	52.7
84.08159	3.1
84.96054	13.8
85.02896	8.0
85.06538	5.7
86.09698	6.2
91.05492	13.1
93.07072	2.5
95.04997	3.2
97.02916	3.7
98.97591	37.0
107.04948	3.4
109.06562	2.4
110.06007	6.8
116.98622	26.0
119.04928	16.7
120.08129	4.9
122.06023	6.5
123.04396	4.0
123.11780	13.7
132.98094	2.9
134.99635	8.9
135.04445	4.3
136.06268	3.2
136.07599	7.0
137.06033	3.2
139.03917	3.5
141.12752	73.4
145.02843	7.0
147.03261	3.4
147.04416	60.3
150.99158	4.2
151.03932	3.8
159.09222	3.7
159.13821	26.7
160.74968	2.4
163.03923	22.0
164.07088	12.0
165.02281	4.5
169.01768	4.5
177.02261	16.8
177.05473	8.5
177.14865	31.5
179.00110	2.8
181.01727	2.5
182.08144	14.7
183.03098	3.2
185.01176	4.1
193.00188	3.5
193.01717	10.4
195.03333	15.1
197.01054	2.9
203.03531	2.8
207.03329	20.2
211.02782	8.7
219.02888	3.7
220.35327	3.3
221.01215	3.6
225.04320	21.0
227.02307	2.5
235.02789	9.8
237.00760	8.1
239.02284	9.3
249.04347	4.2
249.06876	3.7
251.08641	6.1
253.03783	11.6
255.01779	41.6
261.04086	3.4
271.04865	5.2
273.02783	6.4
277.03870	4.8
279.01785	10.2
295.05084	2.7
297.02869	15.8
315.03961	8.3
322.09265	5.8
339.07742	7.8
339.15656	8.2
354.41379	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1594
Annotation	Bauhinoxepin B
Peak:m/z	Relative Intensity
51.82427	0.3
53.00294	0.5
56.67721	0.3
65.03948	3.4
68.46579	0.2
69.62715	0.6
69.63092	1.6
93.03404	2.3
121.02863	2.6
121.06533	0.3
131.01311	4.3
135.08069	2.6
137.76353	0.3
149.02356	100.0
150.02617	0.6
163.04019	0.4
167.03418	52.9
192.47449	0.3
205.08603	5.4
210.61974	0.3
238.49954	0.3
283.09680	42.8
284.10077	0.5
339.15936	18.2
345.20792	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1592
Annotation	Bauhinoxepin B
Peak:m/z	Relative Intensity
53.03941	0.2
55.01863	0.6
63.29432	0.2
65.03936	1.2
67.05507	1.0
68.99796	1.4
69.07073	1.7
70.06309	0.4
70.06703	0.3
79.05476	0.2
81.03407	0.3
91.05476	0.3
95.04980	1.5
98.97598	0.3
101.16924	0.2
103.05483	1.5
105.03378	0.5
105.07040	0.4
107.04980	0.4
108.02096	3.4
111.04441	0.9
119.04968	0.3
119.08579	0.3
121.02861	0.8
121.04005	0.5
121.06496	0.4
123.04434	0.9
124.05235	0.2
125.05988	0.2
129.07001	0.4
131.04922	2.4
133.06493	0.4
135.04428	0.4
136.01564	1.0
137.02345	0.5
137.05981	1.1
145.06454	0.3
147.04388	1.0
147.08075	1.1
149.02350	1.2
151.03906	100.0
152.04276	0.5
154.02608	0.8
157.06479	1.0
159.04417	3.3
161.02371	0.3
161.05991	0.2
165.99174	0.2
167.03406	0.7
167.08571	0.6
169.06474	0.2
169.10294	0.2
173.06015	0.5
173.09644	0.6
175.11127	0.2
177.05501	1.3
179.03355	0.2
179.08606	0.2
181.06483	0.3
189.05563	0.2
195.08089	1.0
197.06030	0.3
197.09647	0.5
211.07520	0.3
212.08369	0.2
215.10667	1.0
219.06622	0.9
222.06825	0.4
223.07579	0.7
224.08315	0.3
227.07198	0.3
227.10681	0.7
237.09129	0.4
240.07788	0.8
241.08604	0.9
247.07138	0.2
250.06290	0.3
251.07051	0.8
253.08614	0.2
255.10228	1.5
265.08612	0.7
268.07385	0.4
269.08105	0.3
271.09708	1.2
274.97446	0.3
283.06540	0.4
283.09671	8.3
321.11301	0.3
324.13495	1.0
334.27499	0.2
339.15930	41.1
340.16336	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1594
Annotation	Bauhinoxepin B
Peak:m/z	Relative Intensity
53.00304	0.5
55.01882	0.5
57.07070	1.0
65.03947	3.4
67.05495	0.9
69.07073	1.1
79.05511	0.5
81.07053	1.2
91.05496	1.2
93.03379	2.7
93.07058	0.5
95.08611	0.8
98.20732	1.1
98.97596	1.0
105.07041	0.8
107.08601	0.7
118.59885	0.6
121.02872	3.7
121.06503	1.1
131.01279	6.2
135.08034	3.3
137.05907	0.5
149.02353	84.9
149.55270	0.4
151.03865	0.6
161.05971	1.2
167.03415	100.0
168.03810	1.0
193.05035	1.9
195.02898	0.6
205.08603	7.3
219.06627	1.0
223.06383	0.5
224.65663	1.7
254.98363	0.7
259.13678	0.6
267.10181	1.1
274.97540	1.1
283.09677	54.1
284.10025	1.0
294.84009	0.5
309.37436	0.5
321.14160	0.6
339.12494	1.0
339.15942	19.6
339.27585	3.9
339.77957	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1594
Annotation	Bauhinoxepin B
Peak:m/z	Relative Intensity
50.44008	0.4
50.57430	0.5
51.02396	0.5
55.01865	2.0
55.05524	0.5
60.74514	0.4
65.03946	1.3
65.81623	0.4
67.05493	1.0
69.07077	18.7
71.04994	1.1
79.05499	0.7
91.05471	0.8
93.75198	0.4
95.04979	10.0
95.08666	0.5
103.05479	7.6
107.04942	1.2
108.02097	1.5
109.06552	1.0
115.05456	0.7
116.30799	0.5
117.07011	0.5
119.04971	2.6
121.06516	1.1
123.04466	2.2
125.05973	0.5
131.04951	15.9
132.05753	0.7
132.56215	0.4
133.06505	1.4
135.04416	2.3
137.06004	6.5
138.11604	0.4
140.19106	0.5
145.06522	1.5
147.04431	7.8
149.02303	1.2
149.06009	0.9
151.03918	100.0
152.04283	0.9
152.06229	0.9
153.07030	0.6
157.06534	2.6
158.07323	0.5
159.04428	16.8
161.05988	2.1
165.06973	1.9
166.07826	1.5
167.08582	3.1
169.04982	3.8
169.06407	0.9
169.10085	0.5
171.08122	0.5
173.05962	2.4
173.09576	0.5
176.06285	0.6
177.05534	8.3
177.07022	1.3
178.07802	0.8
179.08508	2.2
181.06454	2.1
182.07262	1.3
184.08862	0.5
185.05962	1.6
187.07558	0.5
189.05496	1.0
191.08685	0.7
191.10616	0.4
194.07309	3.9
195.08061	7.0
197.06003	3.1
197.09610	2.3
198.06802	0.8
199.07617	0.5
205.06467	5.1
206.07266	2.1
207.08127	0.8
208.05203	0.5
209.09625	1.8
211.07596	0.9
212.08284	2.4
213.09195	2.1
215.10712	8.3
221.05930	1.3
222.06779	5.4
223.07556	15.6
224.08301	1.3
225.05556	1.1
225.09163	2.1
226.06245	0.7
227.07056	1.5
227.10713	3.5
228.98639	0.6
233.05850	0.5
234.06860	1.5
235.07666	0.7
237.09132	6.1
240.07837	2.9
241.08649	12.4
247.07541	0.8
250.06264	6.5
251.07068	20.4
253.08571	1.4
255.10197	6.5
265.08615	22.6
266.08850	0.5
268.07248	0.5
271.09647	8.9
283.09674	59.0
284.10046	0.8
293.15381	1.3
299.54922	0.5
321.14944	1.2
324.13629	1.2
339.15945	78.2
340.16272	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1594
Annotation	2,2,4-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate
Peak:m/z	Relative Intensity
53.00312	0.6
55.01875	0.7
55.05523	1.2
56.96570	1.1
57.07069	1.1
62.85686	0.5
65.03948	6.6
67.05511	5.2
69.03465	0.6
69.07093	2.5
69.96519	1.9
71.04995	0.5
73.02882	0.5
77.69350	0.5
79.05495	3.7
79.63961	0.4
81.03413	0.8
81.07056	6.6
83.08605	0.7
91.05489	2.6
93.03398	4.2
93.07047	3.3
95.04988	0.7
95.08616	4.8
97.06567	0.6
97.10179	0.6
98.97620	2.6
103.05412	0.9
105.07022	2.2
107.04956	0.9
107.08608	2.3
109.10152	2.6
111.04434	1.1
116.98623	0.9
117.07005	0.7
118.42500	0.5
119.08567	1.9
121.02854	5.5
121.06525	5.3
121.10165	3.7
121.56656	0.5
123.11706	1.4
130.93336	0.5
131.01312	5.8
131.04970	0.5
131.08582	1.4
133.06497	2.3
133.10173	2.4
135.08092	3.3
135.11691	2.2
137.02354	0.7
139.38857	0.5
143.52675	0.5
145.10106	1.7
147.04391	0.6
147.11700	1.9
149.02353	69.6
149.13281	1.6
151.03906	2.3
151.99049	0.5
153.01822	5.1
159.11696	1.6
160.24646	0.5
161.05966	5.2
163.03929	0.7
167.03415	100.0
168.03799	0.8
171.08052	0.6
173.13289	0.6
175.11230	1.0
179.03436	1.0
183.07988	0.7
193.05023	0.5
195.08063	1.3
205.08629	5.1
211.07565	1.5
213.09212	1.0
219.06606	0.8
219.20898	0.5
229.19489	1.4
235.20747	0.5
241.08672	0.7
247.20607	4.7
265.08725	0.9
267.10291	0.8
274.97537	2.1
283.06207	2.3
283.09659	39.0
283.16678	5.2
292.98648	1.1
321.24387	0.9
323.00821	0.6
339.12219	4.2
339.15930	21.8
350.56754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1231
Annotation	Demethoxycurcumin
Peak:m/z	Relative Intensity
53.00308	0.7
57.56899	0.6
64.19949	0.6
65.03951	4.7
69.07043	0.7
69.78884	3.9
79.05508	4.1
91.05064	0.7
91.05496	7.8
93.03409	4.2
95.01299	0.8
103.05521	0.8
105.07035	1.6
107.04969	14.1
109.06506	1.1
112.17802	0.9
115.05475	2.1
117.07051	3.7
119.04118	1.0
119.04958	15.5
119.08622	0.9
121.02884	4.4
121.06493	1.3
121.10155	0.8
121.35631	0.7
128.06247	9.2
129.07019	15.6
131.01285	5.8
131.04922	2.1
133.10162	1.2
137.02348	0.9
144.05719	1.1
145.06480	9.7
145.10170	0.7
147.04424	29.5
149.02356	100.0
150.02670	1.2
155.06059	2.4
157.05225	1.5
157.06511	28.8
158.07240	1.2
159.17851	0.7
161.02403	0.8
163.04033	1.1
167.03415	77.0
168.03827	0.9
168.45682	0.7
172.08737	0.9
173.06052	4.2
173.09637	62.4
174.09947	1.0
177.01889	0.8
177.05431	1.2
185.09604	1.4
191.07060	6.3
191.68863	0.8
201.05489	31.6
215.07036	7.6
219.04451	1.1
219.06541	18.6
219.08595	1.3
227.07054	3.3
241.05000	0.9
248.37837	0.7
269.08127	4.2
283.05908	1.0
283.17001	2.8
311.12836	2.5
321.11234	31.7
339.12244	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	339.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61648	0.7
53.03938	1.9
54.12096	0.7
55.01892	1.2
55.05498	0.7
56.96553	1.1
65.03936	1.1
66.91952	0.8
67.05498	2.2
69.03436	0.8
69.07065	0.9
69.90974	3.0
70.06597	1.4
73.02919	0.8
77.03942	0.9
79.05498	4.5
81.03375	0.9
81.07060	7.1
82.06557	1.1
84.08152	1.5
91.05478	10.4
93.05802	1.1
93.07053	2.7
93.14788	0.8
94.06573	4.3
95.04982	1.4
96.08141	2.7
98.21445	1.0
98.97574	1.3
105.21461	0.8
106.06567	1.7
108.08102	2.2
109.06487	2.2
110.06050	9.5
119.04959	16.7
120.04465	1.3
120.08073	1.0
122.06040	18.4
123.06799	3.5
124.07601	19.0
134.06017	17.4
136.07584	86.0
137.06024	1.1
138.05547	2.6
138.09143	0.8
139.03918	1.0
140.07072	6.6
147.04416	63.4
149.02296	0.8
150.05510	6.2
152.07076	92.1
154.08621	1.2
157.10059	0.8
158.08186	1.6
161.05969	1.1
163.03914	1.0
164.07077	100.0
165.05492	0.9
166.08630	1.6
168.06558	1.7
169.10143	0.9
170.08156	12.7
172.11194	1.0
177.05444	4.1
182.08144	26.6
182.09763	1.6
186.12846	1.0
189.05475	1.0
200.10735	1.6
203.03369	1.2
214.12254	2.0
215.08005	0.8
219.02977	1.6
233.04527	1.7
242.11758	2.1
257.12857	1.0
260.12897	5.0
274.11896	0.9
285.12540	2.0
289.08243	1.3
295.04559	0.9
301.84552	0.9
303.13400	53.3
321.14462	12.5
339.07040	3.7
339.15561	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1232
Annotation	Demethoxycurcumin
Peak:m/z	Relative Intensity
53.03949	1.9
55.01875	1.5
55.05505	2.0
56.96574	2.4
65.03957	2.5
67.05495	4.1
69.03437	2.8
69.07070	2.4
71.05010	0.9
71.55942	1.7
73.02920	1.0
77.57330	0.6
79.05502	33.4
81.03426	1.8
81.07073	5.1
83.08627	1.1
84.89702	0.8
85.02921	1.2
85.06549	0.8
91.05490	13.4
93.03410	1.4
93.07063	3.3
94.06666	0.7
95.01360	2.5
95.04978	3.3
95.08612	3.8
97.02911	0.7
97.06542	0.8
97.10191	1.4
98.97604	1.7
103.05479	2.4
105.03420	1.6
105.04543	1.3
105.07041	4.7
107.04967	88.3
107.08591	1.9
108.05328	1.5
109.06528	1.6
109.10172	2.1
115.05457	7.8
117.03409	1.1
117.07030	13.3
119.04945	16.2
119.08575	2.1
121.02912	1.8
121.10190	2.0
122.06014	1.0
123.00810	1.1
123.11696	1.6
127.03946	1.7
128.06247	4.9
129.07018	5.8
131.01295	2.2
131.04953	2.4
131.08606	1.2
133.02933	0.9
133.06525	1.6
133.10159	1.0
135.04433	0.9
135.11681	1.1
136.07578	3.9
137.02342	4.2
137.05998	2.9
141.01796	0.7
143.08598	1.0
145.02863	4.5
145.06500	19.7
145.07655	1.1
145.10173	0.8
146.05959	1.4
147.04425	35.2
147.08080	1.0
149.02354	25.7
151.03915	0.9
155.04916	2.2
155.06039	1.9
155.07137	1.2
157.06519	14.7
157.10149	1.8
161.06009	1.2
163.03900	1.8
164.07071	3.5
167.03412	33.0
173.06003	28.6
173.07510	0.9
173.09628	8.8
176.07092	4.0
177.05479	9.7
183.04448	3.8
185.09651	0.9
188.04710	0.8
191.07109	6.0
201.05487	100.0
202.05818	1.6
209.10788	2.8
211.12277	0.9
215.07043	2.6
218.07304	1.0
219.06534	43.6
219.82628	0.7
221.10912	1.0
223.06042	1.8
223.12248	2.1
224.09464	1.3
224.12975	1.3
227.06969	1.2
234.06850	1.1
235.08629	1.5
235.12334	1.7
236.09167	2.2
237.07742	1.9
237.10211	6.1
238.10979	5.5
239.11664	0.9
241.04924	1.0
250.10783	2.1
251.11823	5.0
252.12312	2.1
253.13286	1.1
260.08533	1.3
261.09988	1.5
264.08737	0.9
265.09552	1.0
265.13339	2.4
266.13733	4.8
269.08066	3.2
275.11005	0.8
277.09595	2.9
277.13028	1.7
278.10434	3.1
279.11319	51.0
280.11868	4.7
283.09650	1.4
283.14413	1.1
293.12558	2.3
295.14270	1.1
297.12466	5.4
300.61819	0.9
303.10321	0.9
303.23154	0.9
311.13422	5.4
321.11334	25.7
339.12656	62.7
340.12909	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1228
Annotation	Paratocarpin K
Peak:m/z	Relative Intensity
55.01870	0.7
55.05512	0.6
56.96553	0.5
57.07079	0.5
57.80458	0.4
61.50427	0.3
63.24937	0.3
67.05488	1.3
68.99789	2.4
71.54942	0.5
71.55321	0.5
79.05499	2.4
81.03407	1.2
81.07059	8.5
83.04961	0.4
91.05492	2.0
93.03416	0.6
93.07041	1.4
95.05008	0.7
95.08600	1.0
98.97575	1.2
103.05452	0.5
103.65540	0.4
105.07017	1.2
107.04955	2.2
107.08614	0.8
109.05804	0.5
109.06527	9.6
110.36337	0.5
115.05446	0.7
116.98618	0.6
117.07001	1.2
119.04958	1.1
119.08553	0.6
121.02881	1.3
121.06499	1.0
123.04436	0.4
123.08087	2.0
129.07002	0.5
131.04915	0.7
133.06503	0.7
133.10069	0.5
135.04381	1.2
135.08040	0.5
137.02319	0.8
139.00270	0.7
145.06511	2.4
147.04413	1.3
149.02350	5.1
149.05978	1.8
151.03949	0.4
151.07541	1.3
153.01802	2.3
153.05460	0.6
159.04369	0.9
163.03883	0.6
163.07587	0.9
165.01854	2.8
167.03409	4.0
167.06996	0.4
171.02966	0.5
171.04385	1.1
173.05969	1.2
176.04695	1.1
177.01854	12.9
177.05475	6.5
178.35698	0.4
179.03372	1.4
183.02846	0.6
190.02612	0.4
191.03368	1.2
191.07063	2.4
195.02975	0.5
195.06593	2.4
201.05426	3.4
203.07071	0.5
204.04198	1.2
213.09094	0.7
216.39589	0.4
219.06532	100.0
220.06819	1.3
225.69319	0.4
237.07607	4.6
267.10095	0.7
274.97568	2.2
283.06152	0.7
283.09708	1.0
283.13589	0.4
292.98566	0.8
297.11066	1.2
327.81711	0.5
339.12271	29.4
339.15735	1.2
339.27475	0.7
340.12787	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1231
Annotation	Buceracidin B
Peak:m/z	Relative Intensity
50.52954	0.2
53.03943	0.3
55.01853	0.5
55.05495	0.7
56.96556	0.3
57.03415	0.3
65.03949	0.4
67.05490	0.9
68.99786	3.1
69.03408	0.4
69.07034	0.3
69.22353	1.3
69.22780	1.1
79.05495	2.1
81.03401	1.0
81.07062	8.9
83.04969	0.8
88.40102	0.2
91.05479	2.0
91.30411	0.3
93.03363	0.4
93.07049	1.7
95.04976	0.3
95.08622	1.6
97.06533	0.3
98.21607	0.4
98.97556	0.4
103.05476	0.5
105.07026	1.6
107.04968	2.0
107.08569	0.6
109.05802	0.5
109.06524	9.4
109.10139	0.4
111.00846	0.3
115.05432	0.5
117.07014	1.3
119.04921	0.7
121.02851	1.1
121.06526	1.1
121.10146	0.3
123.04416	0.5
123.08073	2.4
131.04897	0.8
133.06534	0.6
133.10085	0.3
135.04456	1.4
135.08064	0.6
137.02309	0.4
137.06009	0.3
139.00299	1.3
145.06502	2.2
147.04396	1.9
148.05150	0.5
149.02350	4.5
149.05997	1.9
151.03920	0.3
151.07504	1.6
153.05452	0.9
157.06416	0.3
159.04417	1.4
161.02272	0.4
163.03906	0.7
163.07565	1.2
163.11218	0.2
165.01842	3.1
167.03416	2.9
173.06012	1.1
176.04698	1.1
177.01855	12.9
177.05464	6.5
179.03368	1.1
183.02919	1.0
187.11206	0.3
189.05399	0.3
190.02652	0.6
191.03430	1.4
191.05298	0.4
191.07039	2.8
195.02925	0.6
195.06520	2.1
197.18265	0.3
201.05486	3.2
203.06998	1.0
204.04239	1.3
205.08617	1.1
209.08342	0.2
209.16844	0.2
219.06537	100.0
220.06834	1.3
237.07599	7.0
245.08118	0.5
274.97461	0.3
297.11197	1.6
339.12292	9.5
339.23227	0.7
340.12595	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.6
56.96564	5.8
65.03951	1.6
67.05532	1.6
68.99813	3.9
69.03426	4.3
69.86790	5.0
79.05537	1.8
81.03421	2.2
84.96069	2.2
91.05478	5.5
95.04961	2.6
97.02911	8.9
98.97597	6.8
107.04978	1.8
108.22980	1.2
111.00792	1.9
111.04461	3.6
116.98634	1.8
119.04946	12.1
121.02885	2.2
123.04417	8.0
125.02367	9.8
135.04428	2.4
137.02315	1.7
139.03917	33.1
143.05072	1.6
147.04424	35.2
149.02379	1.8
151.03920	7.9
155.03406	3.4
159.04456	1.6
161.06010	1.8
163.03905	14.2
165.01997	1.4
165.05443	1.6
171.04428	2.4
175.03917	3.9
177.05478	41.0
179.03343	2.7
181.04945	9.6
185.05942	3.3
187.03865	8.6
189.05460	4.1
191.03465	5.1
193.04953	2.6
201.05527	2.5
203.03406	100.0
205.04979	28.4
207.03252	1.7
213.05524	2.3
215.03432	10.6
217.05045	1.8
221.04489	5.6
225.04431	2.0
229.05003	4.0
231.02878	9.2
233.04471	22.8
237.00674	1.7
241.05112	3.4
242.02068	1.8
247.06058	23.8
249.03955	5.3
251.05478	13.9
253.03929	2.1
255.01776	6.0
257.04440	3.3
259.02274	1.8
259.05911	2.4
275.05542	14.0
277.03491	3.9
277.07062	4.2
295.04498	16.9
297.02798	1.6
303.05029	4.4
315.04102	1.6
321.06067	80.9
339.07150	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	337.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95619	0.9
52.75502	1.2
53.03952	2.7
55.01873	1.2
55.05516	40.0
57.03444	23.8
57.07076	7.8
61.54877	1.1
65.03934	4.7
67.05511	95.2
68.05846	1.2
69.07073	54.9
70.68217	1.1
71.04992	3.5
71.08638	1.8
71.55085	1.1
71.55479	1.4
71.63678	1.1
79.05078	1.4
79.05502	24.5
81.07063	85.5
83.04980	3.0
83.08627	23.9
85.06548	2.4
91.05487	15.1
93.07055	22.2
95.04951	1.6
95.08615	65.5
97.06542	4.4
97.10180	11.6
98.97590	1.5
105.07027	12.2
107.08590	10.6
109.06526	2.1
109.10164	23.9
111.08091	3.8
111.11729	2.5
119.08595	7.6
121.10154	9.8
123.08058	2.2
123.11718	11.9
131.08583	1.3
133.10129	8.8
135.11713	5.5
137.09584	1.8
137.13278	5.2
147.11755	6.2
149.13281	3.9
149.57851	1.0
151.11247	2.1
151.14835	3.3
153.12648	1.4
161.13278	5.0
163.14825	2.7
165.12862	1.4
175.14828	2.8
178.99005	1.2
179.03406	2.8
203.07005	2.7
245.22815	2.6
253.07704	1.2
263.23721	3.9
280.07098	1.7
281.07559	2.0
302.81497	1.2
314.04431	1.5
337.13568	10.4
337.27374	100.0
338.27567	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	337.2738
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03928	1.8
55.05513	22.1
57.03449	11.5
57.07074	8.1
65.03947	3.6
67.05511	51.6
69.06738	1.7
69.07080	27.6
71.04995	2.7
71.08624	6.7
72.08158	1.7
79.05500	15.5
81.07062	56.5
83.08624	17.1
88.33159	1.5
91.05495	9.0
93.07066	19.1
95.08619	39.8
96.08926	2.0
97.06535	6.3
97.10184	8.8
99.08112	2.5
105.07038	7.8
107.08608	13.7
109.06499	2.8
109.10158	17.4
119.08577	6.6
121.10149	8.9
123.11688	5.7
133.10173	4.1
135.11731	4.4
137.13252	3.0
145.10161	2.2
147.11681	3.0
149.13278	4.2
151.14795	1.9
161.13240	4.1
165.12817	3.0
175.14748	3.1
179.03380	3.4
179.14267	1.8
200.16025	2.1
209.95985	1.6
221.19110	4.8
245.22653	2.8
258.03342	2.2
263.23654	2.6
319.26337	9.0
337.27383	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2739
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
50.90575	0.4
53.03953	2.1
55.01878	1.8
55.05517	37.7
56.96568	0.6
57.03445	24.5
57.07079	5.1
65.03943	3.0
67.05511	85.0
68.05859	0.5
69.03445	0.6
69.07075	48.5
69.78056	0.6
70.07413	0.4
70.60001	0.9
70.68476	0.4
71.05007	2.5
71.08640	1.8
73.06589	0.5
77.03880	0.6
79.05147	0.4
79.05502	22.3
81.07064	82.9
83.04996	1.8
83.08626	22.5
85.06552	2.0
85.10179	0.7
91.05489	14.1
93.07052	20.1
95.04977	1.9
95.08615	55.0
96.08942	0.5
97.06528	4.5
97.10175	11.6
98.97598	0.7
99.08108	1.2
101.06046	0.9
105.04507	0.6
105.07040	10.3
107.08598	11.8
107.09300	0.7
109.06537	1.2
109.10168	21.7
111.08073	2.4
111.11746	2.4
113.09647	1.3
117.07066	0.8
119.08591	8.0
121.10147	7.7
123.08119	1.2
123.11718	10.8
125.09641	1.3
125.13276	0.5
127.11240	0.7
131.08607	1.1
133.10132	7.9
135.11700	5.8
137.09644	1.1
137.13272	3.8
139.11151	0.9
145.10139	0.7
147.11699	6.5
148.76323	0.4
149.13269	2.9
151.11206	1.0
151.14850	1.3
153.12796	1.0
159.11722	0.5
161.13277	4.9
163.14844	3.7
165.12741	0.4
165.16420	0.6
167.03468	0.6
174.68710	0.4
175.14812	3.1
177.16425	1.0
179.03450	0.9
189.16415	0.9
201.56557	0.4
203.07137	1.6
235.09766	0.5
245.22598	1.3
263.23703	3.2
269.08182	0.4
281.07941	2.0
302.87009	0.5
334.45911	0.4
337.14178	1.7
337.27393	100.0
338.27802	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	337.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.1
53.00315	0.4
55.01892	0.1
55.05515	0.2
63.02370	0.1
65.03941	25.3
67.05500	0.2
68.08158	0.1
68.28081	0.1
69.07079	0.2
70.76647	0.1
71.32282	0.2
77.03914	0.5
79.01874	0.2
79.05506	0.1
81.07068	0.3
81.09064	0.1
83.04990	0.5
83.08636	0.1
85.37326	0.1
91.01895	0.1
93.03407	15.8
95.08600	0.2
103.05486	0.1
105.03395	0.8
105.04517	0.1
107.01353	0.3
107.04948	0.7
133.02864	0.4
142.79710	0.1
151.03922	0.3
161.02332	15.4
167.03474	0.1
171.07997	0.1
175.03963	0.4
177.05460	0.3
179.03395	100.0
180.03725	1.1
181.03891	0.2
193.05009	0.3
199.07620	0.1
217.08601	25.7
218.09006	0.4
235.09651	24.4
236.10034	0.4
239.06931	0.5
249.11375	0.1
263.06989	0.2
281.08087	19.4
282.08560	0.4
295.13239	0.2
299.09152	0.3
337.14346	11.9
337.27429	0.2
338.14716	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1437
Annotation	Emoroidenone
Peak:m/z	Relative Intensity
50.01595	0.1
51.02385	0.2
52.16224	0.1
53.00309	0.4
53.03956	0.1
53.98568	0.1
54.78310	0.1
55.01861	0.1
55.05513	1.0
57.03442	0.6
57.07075	0.3
65.03943	24.8
66.04287	0.1
67.05505	2.0
69.07069	1.1
69.45554	0.5
69.59534	0.1
71.08652	0.1
77.03912	0.5
79.01463	0.1
79.01871	0.2
79.05498	0.6
81.03421	0.1
81.07057	2.1
82.18860	0.1
83.04992	0.5
83.08607	0.5
83.71410	0.1
85.06549	0.1
91.01875	0.1
91.05493	0.4
93.03410	15.4
93.07048	0.5
94.03735	0.1
95.04986	0.1
95.08614	1.6
97.06551	0.2
97.10168	0.3
103.05476	0.1
105.03413	0.6
105.04552	0.1
105.07034	0.3
107.01295	0.3
107.04955	0.8
107.08582	0.3
109.10155	0.7
111.08088	0.1
119.08607	0.2
121.10150	0.3
123.11719	0.3
133.02853	0.3
133.06503	0.1
133.10132	0.3
135.11723	0.1
137.13232	0.1
143.08586	0.1
147.04489	0.1
147.11694	0.1
151.03908	0.3
157.06522	0.1
161.02338	11.6
161.13211	0.1
162.02623	0.1
163.14810	0.1
167.03299	0.1
169.70563	0.1
171.08113	0.1
175.03915	0.3
175.07410	0.1
175.14931	0.1
177.05486	0.4
179.03398	100.0
180.03743	1.0
181.03889	0.2
193.04996	0.5
199.07497	0.1
217.08607	23.7
218.08922	0.2
220.42847	0.1
227.21414	0.1
235.09657	25.6
236.10056	0.4
239.07100	0.3
242.46997	0.1
245.22726	0.1
263.07104	0.2
263.23703	0.2
281.08087	18.6
282.08417	0.4
284.96793	0.1
295.13232	0.3
299.09134	0.3
337.14355	12.8
337.27353	2.8
338.14655	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.8
58.08178	0.3
60.04519	0.5
70.06577	0.8
70.45665	0.3
70.69295	0.3
70.69627	0.7
81.07066	0.3
84.04490	0.4
84.08145	0.8
85.02926	0.4
86.02434	0.6
86.06091	0.3
86.09711	0.4
88.03983	1.1
91.05474	1.3
93.07026	0.4
95.05003	0.4
96.00871	0.4
98.97594	0.8
102.05563	1.5
113.02366	0.3
116.04964	0.5
116.98670	0.4
117.05780	0.4
118.06557	1.9
120.08065	0.4
121.48822	0.3
128.04968	6.1
128.98659	0.4
129.10231	0.3
136.07512	0.4
138.05461	0.4
139.03908	0.4
146.06015	100.0
147.04381	0.4
147.06412	0.6
148.03943	1.3
148.06058	0.4
163.03917	1.0
164.07085	0.4
172.03929	2.3
193.51981	0.4
196.25899	0.3
199.54068	0.3
201.10201	0.5
203.18491	0.3
233.62437	0.3
241.09727	0.4
248.03654	0.4
249.44102	0.3
257.03787	0.4
266.05273	0.4
272.04623	0.4
277.07916	0.5
294.05063	0.3
301.11774	0.7
319.12878	1.1
337.07065	1.0
337.14026	2.6
340.24612	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1433
Annotation	4-methoxylonchocarpin
Peak:m/z	Relative Intensity
53.00301	0.4
55.01861	0.2
57.03431	0.2
65.03944	2.9
71.25188	0.3
71.25506	0.3
77.03925	0.4
77.44957	0.2
78.28629	0.2
79.05488	1.0
81.07047	1.2
91.05475	2.6
93.03416	1.8
93.06973	0.2
95.01351	1.3
95.04955	0.4
103.05457	0.6
105.03440	1.2
105.07057	1.2
107.04978	0.7
107.08605	0.4
109.06519	1.5
115.05468	0.2
116.06219	0.2
117.07026	0.5
118.04183	0.2
119.04931	0.8
119.08588	2.3
121.02835	0.4
121.06486	0.3
123.00799	0.7
128.06232	0.9
129.07030	2.6
131.01317	0.4
131.04930	0.2
131.08569	0.5
132.05737	0.6
133.02861	2.0
133.06509	3.3
135.04411	0.3
135.67563	0.2
137.02354	0.3
141.06990	0.5
144.05713	0.9
145.06494	0.3
147.04407	0.9
147.08064	5.3
149.01154	0.4
149.02350	7.6
151.03889	1.8
157.06522	1.2
160.05176	1.1
161.02351	16.8
161.05981	8.6
163.03893	2.1
167.03427	3.3
169.07715	0.2
175.03886	2.2
175.07544	3.2
179.03404	10.7
183.08072	0.3
185.05984	5.2
188.04700	0.8
203.07037	100.0
204.07394	1.3
211.07568	0.4
217.08664	2.1
235.09669	3.2
237.03174	0.3
269.08078	1.0
281.08115	2.4
288.05423	1.8
288.55698	0.5
295.09991	0.2
295.13351	0.4
297.05933	0.8
319.13159	0.3
325.03735	0.3
337.14352	23.6
338.14844	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0896
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
70.22134	6.1
70.22527	4.3
81.78701	2.5
98.20860	4.0
227.61130	2.6
274.49374	2.5
281.03967	3.1
337.04947	5.5
337.08792	100.0
355.56595	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	337.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73139	2.6
63.11998	2.9
64.45620	2.8
65.33437	2.8
69.38730	2.4
70.16722	7.9
70.17071	5.2
71.74996	2.5
84.48870	2.7
98.97575	4.4
113.00865	3.3
121.94513	2.7
122.61691	2.8
139.02330	2.6
217.03802	3.6
303.34360	3.0
337.08966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0706
Annotation	Garhwalin
Peak:m/z	Relative Intensity
51.02384	0.1
53.03947	0.2
55.01882	0.3
58.99244	0.1
64.66375	0.1
65.03939	0.6
67.05168	0.1
67.05508	1.7
68.99794	1.1
69.03439	0.1
69.30492	0.5
75.05762	0.1
77.03957	0.1
79.05497	1.2
81.03425	0.3
88.12956	0.1
89.03915	0.4
91.05482	1.8
91.13832	0.1
93.03403	0.4
95.01275	0.1
95.04972	3.4
98.97590	0.1
99.14857	0.1
105.03388	0.3
105.04508	0.1
105.07053	0.1
106.04185	0.1
106.92516	0.1
106.99543	0.1
107.04958	2.9
109.02863	0.1
111.04458	0.1
117.03372	0.2
118.04146	0.1
119.04944	3.7
120.05791	0.1
121.02871	6.5
123.04441	0.5
129.03351	0.2
131.01266	0.1
131.04945	0.2
133.02818	0.1
135.04419	3.9
137.05969	0.1
145.02849	6.0
146.03218	0.1
147.04384	0.3
149.02335	0.9
153.05536	0.1
159.04414	0.2
161.02266	0.1
161.05943	0.1
163.03908	19.2
163.17230	0.1
164.04164	0.2
165.01794	0.1
165.05573	0.1
165.07062	0.2
167.03455	0.4
167.08589	0.2
169.02884	0.1
171.04437	0.1
173.02338	0.6
175.03868	0.1
176.01064	0.6
177.01843	0.3
177.07072	0.1
178.02606	0.1
178.07794	0.1
179.08551	0.3
181.04965	5.8
181.06351	0.2
182.07266	0.2
183.08052	0.2
187.03926	0.3
189.01866	0.2
189.06985	0.1
190.02621	0.3
191.03397	9.2
192.03793	0.1
194.02130	0.2
194.07326	0.1
195.08064	0.3
197.06038	0.1
197.09583	0.1
199.03918	0.1
201.01851	0.2
207.08073	0.5
209.04437	1.4
210.06728	0.4
211.07510	0.3
213.09052	0.1
217.04965	0.3
219.02901	0.6
221.06004	0.2
225.09061	0.2
228.40900	0.1
229.04987	0.5
234.06573	0.2
235.07477	0.5
237.05452	0.2
238.06224	0.3
239.07048	1.2
251.06908	0.1
252.07765	0.3
253.08600	1.5
254.05795	0.1
255.06432	0.1
262.06271	0.1
263.06973	0.9
265.04953	0.2
266.05734	0.6
267.06522	1.8
270.05176	0.3
274.06409	0.1
279.06537	4.2
280.07147	0.6
281.08084	32.2
282.08432	0.6
283.06042	0.5
286.04739	0.1
291.06537	1.1
292.07318	0.2
293.04871	0.1
294.05203	2.3
295.06012	1.0
307.06024	0.8
308.06793	2.8
309.07562	83.3
310.07913	1.6
319.06070	0.3
322.04712	0.1
337.07047	100.0
338.07401	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08060	2.1
56.96574	40.7
61.13823	1.8
69.03435	3.5
69.70913	2.1
70.98125	16.2
71.54265	3.7
71.95272	3.9
84.96043	6.0
85.02936	2.5
88.99162	6.0
94.90053	1.8
98.96938	5.0
98.97593	100.0
99.81385	1.9
110.97585	23.9
112.99146	8.8
116.98637	25.6
124.95509	5.2
125.78587	2.2
126.96155	1.9
128.98634	25.2
131.00191	7.2
133.01741	3.7
134.99670	3.1
140.98631	3.4
142.96530	3.6
143.00204	2.7
144.18060	2.0
146.06065	3.6
146.99677	21.8
149.01239	2.4
152.94933	2.9
152.98592	2.9
156.98010	2.7
158.99690	26.5
165.00752	2.8
166.04674	3.1
170.96106	11.2
170.99669	6.1
174.99153	12.0
175.02808	3.0
175.08580	2.3
177.00731	11.7
184.97676	6.4
186.99048	2.4
188.97084	11.9
189.00719	11.2
193.00261	2.7
201.00745	4.3
202.98721	9.6
205.00233	6.4
206.98209	2.5
207.01775	6.8
212.97121	5.0
214.98645	2.4
217.00261	8.0
219.01797	26.9
220.99641	5.0
223.01294	2.4
230.98152	16.7
235.01250	4.5
237.02814	17.0
244.99765	12.0
248.99268	7.3
263.00754	21.9
277.02396	9.8
277.06003	18.9
281.01566	3.8
295.03610	2.6
295.06961	42.9
332.10217	2.6
336.28357	2.5
337.08145	28.3
339.62170	2.0
349.09863	2.9
353.19153	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03939	4.4
55.01856	2.2
55.05516	24.7
55.78170	1.3
57.03443	24.5
57.07077	3.0
65.03938	4.7
67.05513	85.4
69.07074	17.8
70.99108	3.0
70.99445	2.7
71.04998	1.6
79.05500	41.9
81.07062	75.6
83.08624	7.2
85.06538	2.1
91.05491	18.8
93.07056	45.2
95.04955	3.9
95.08612	61.6
97.06547	2.0
97.10152	2.4
99.08028	1.5
105.07035	16.7
107.08604	23.1
109.06567	2.3
109.10165	25.5
111.08087	3.0
117.07050	3.5
119.08601	8.8
121.10170	17.4
123.11716	9.3
131.08591	8.7
133.10156	8.7
135.11678	14.7
145.10133	5.6
147.11693	3.5
149.13260	6.0
159.11700	5.5
161.13278	4.0
163.14886	3.3
173.13301	5.3
187.14810	2.3
217.92473	1.8
243.21176	2.2
256.13730	1.7
261.22189	6.6
280.18655	1.5
314.55273	1.5
317.24945	1.7
335.25836	100.0
341.61319	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01872	2.2
55.05513	24.6
57.03442	28.5
57.07076	2.0
65.03936	4.7
67.05507	92.8
69.07072	20.4
69.81305	2.7
69.81719	4.6
71.04976	3.2
79.05498	45.9
81.03393	1.0
81.07060	86.2
83.04986	1.4
83.08619	7.8
85.06548	2.5
88.03014	1.2
91.05484	26.4
93.07049	50.8
95.04972	4.6
95.08611	65.0
97.06536	3.0
97.10169	2.9
99.08091	1.6
105.04517	2.3
105.07033	16.2
107.08599	28.7
107.91570	1.1
109.06544	1.4
109.10159	26.1
111.08084	1.8
117.07015	4.9
119.08581	14.4
121.10147	20.9
123.08057	1.6
123.11709	7.9
131.08588	7.6
133.10133	10.2
135.11681	11.3
137.13187	1.9
145.10130	5.1
147.11734	6.8
149.13226	9.4
159.11716	5.2
161.13272	4.5
163.14816	3.4
168.88562	1.3
173.13275	4.4
175.14775	1.8
187.14784	3.0
234.33669	1.5
243.21094	4.3
261.22141	5.1
285.13535	1.2
317.24991	1.7
335.25815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2583
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03939	4.2
55.01872	1.6
55.05267	2.2
55.05518	24.9
56.69237	1.2
57.03193	1.8
57.03448	25.5
57.07079	3.6
57.32668	1.4
65.03938	4.2
67.05513	91.4
69.03405	1.6
69.07076	23.1
69.88795	4.7
71.04990	2.7
79.05067	2.6
79.05501	48.3
80.09699	1.5
81.07067	91.3
81.27518	1.3
83.08638	6.8
91.05492	24.3
93.07055	54.6
95.04975	4.2
95.08617	69.7
97.06521	5.0
97.10192	3.8
98.21484	2.3
105.07040	17.7
106.90419	1.2
107.08613	26.9
109.06559	3.2
109.10168	24.9
111.08083	2.3
117.07027	5.1
119.08579	12.6
121.10159	20.9
123.08069	2.6
123.11720	9.8
131.08582	7.0
133.10162	7.0
135.11731	14.5
137.13258	1.6
145.10146	6.1
147.11682	6.2
149.13281	7.5
159.11714	4.6
161.13293	5.4
163.14784	3.1
165.12810	3.7
173.13301	4.7
175.14873	1.7
177.16405	2.0
186.06584	1.5
187.14847	2.5
243.21068	3.6
261.22260	6.1
317.24796	1.5
335.25839	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86389	0.3
51.02374	0.4
53.03934	1.0
54.13921	0.3
55.01855	0.8
55.05511	0.5
56.96545	0.9
65.03927	0.8
67.05491	1.2
69.03404	0.6
69.07050	0.8
69.44337	2.2
72.12045	0.3
77.03926	0.4
79.01841	1.7
79.05129	0.3
79.05501	3.3
81.03398	1.3
81.07059	1.4
83.01302	0.3
89.63519	0.3
91.05486	19.9
93.07050	4.2
95.01305	0.4
95.04962	0.7
95.08590	0.6
98.97539	0.5
101.09911	0.3
103.05456	1.4
105.03410	0.5
105.07035	1.9
107.01332	2.0
107.01924	0.4
107.04961	4.3
107.08549	0.3
109.06495	0.6
115.05463	5.0
116.06245	5.4
117.07024	2.6
118.28618	0.3
119.04958	1.9
119.07800	0.5
119.08595	6.8
121.02850	0.3
121.06492	1.3
123.08122	0.4
123.59023	0.3
128.06233	8.5
129.07007	4.3
131.04936	1.2
131.08577	13.6
133.06483	1.3
135.04402	1.2
137.02318	0.3
141.01923	0.4
141.07008	5.6
142.07558	0.3
143.08553	1.1
144.05708	6.0
145.06471	2.8
147.04390	1.5
147.08049	3.1
149.02365	1.0
151.03862	0.3
152.06137	0.3
153.05472	0.6
153.06952	0.3
155.05989	0.7
157.06696	0.3
158.07303	0.5
159.04457	2.8
159.08060	11.9
161.02438	0.4
161.05983	0.9
165.06924	0.3
167.03383	1.0
169.06476	2.9
169.07686	0.5
171.08046	1.0
172.05247	1.7
173.02388	0.6
173.06004	2.0
187.07555	21.0
191.03435	0.6
195.08266	0.4
195.09901	0.7
197.05957	1.7
200.04666	1.0
215.07040	20.3
233.08098	100.0
234.08386	1.8
240.58003	0.3
256.09689	0.4
267.06561	0.7
267.13062	0.3
275.28384	0.3
317.11777	0.7
335.08978	0.9
335.12820	18.6
335.21933	26.8
335.25485	1.0
336.13110	0.6
336.22351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03936	5.2
55.01863	1.7
55.05267	1.8
55.05513	24.6
57.03198	1.7
57.03444	26.7
57.07067	3.1
62.62771	1.0
65.03931	4.0
67.05510	99.0
69.07069	21.6
69.76325	3.9
69.76739	2.9
71.04973	1.8
78.80839	1.1
79.05498	53.2
81.00641	1.1
81.07063	89.0
83.04989	2.1
83.08617	10.0
85.06547	2.4
91.05489	26.5
93.07053	53.6
95.04990	2.7
95.08613	74.7
96.36726	1.0
97.06525	3.1
97.10179	2.4
99.08059	1.3
105.04552	1.9
105.07043	17.6
107.08601	24.6
107.39119	1.0
109.06523	2.2
109.09476	1.6
109.10173	29.1
111.08088	1.7
117.07059	5.4
119.08584	14.2
121.10155	22.1
123.08087	1.4
123.11727	10.6
131.08565	8.1
133.10136	8.1
133.73779	1.2
135.11703	17.8
137.13254	2.3
145.10141	7.0
147.11682	5.8
149.13248	8.4
155.07007	1.1
159.11742	3.3
161.13330	5.6
163.14851	4.3
173.13197	5.3
175.14845	2.1
187.14848	3.2
195.53105	1.1
217.30397	1.1
243.21078	4.3
261.22177	9.2
263.40103	1.1
317.24860	1.6
335.25821	100.0
336.26291	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.6
55.05501	2.2
56.96582	1.6
57.03446	11.3
57.07080	100.0
60.12017	1.5
61.02927	2.9
65.03955	1.5
67.05507	3.5
69.03438	6.3
69.07066	2.7
70.06596	3.5
71.01367	16.1
71.55013	1.7
73.02925	22.3
79.05519	1.4
79.07220	1.7
81.03453	1.9
81.07067	2.4
83.01320	3.6
84.04501	2.3
85.02909	39.6
85.06557	21.1
91.05484	3.7
93.03411	1.8
93.07070	1.7
95.01334	6.5
95.08642	2.2
97.02913	11.8
99.00820	5.4
99.04498	1.8
101.02391	7.1
103.03965	6.3
103.07600	9.9
104.98244	1.6
105.07057	1.6
107.08630	1.8
108.30547	1.6
109.02869	1.9
113.02374	21.4
120.08114	2.7
120.45367	1.4
120.74471	1.5
121.02867	1.4
122.06062	1.6
123.04411	3.7
124.07619	2.5
125.02328	1.8
126.05519	2.1
127.03951	2.0
131.03444	8.7
136.07594	2.4
137.05934	2.3
137.09654	1.9
138.05522	3.9
141.00101	2.0
141.01843	22.0
145.04990	1.8
149.09572	1.4
151.03970	1.6
152.03468	2.3
153.01845	3.1
153.05484	8.7
159.02887	6.4
159.06488	3.0
159.10173	42.5
159.11510	2.2
164.06949	1.9
166.05040	2.0
168.06602	1.8
169.05048	2.0
177.11348	3.0
192.02959	2.4
195.21242	1.5
200.10680	1.9
201.11375	3.5
210.07845	2.4
213.10387	1.8
215.05533	4.0
217.09714	1.6
225.10310	2.4
226.08801	2.2
228.10374	3.2
229.09772	5.1
240.04462	2.6
241.09790	1.8
243.08963	2.4
243.11432	5.1
245.09142	3.0
253.09746	3.1
257.09277	14.0
258.09818	1.9
270.10117	2.3
271.10831	17.9
287.10239	7.9
288.10980	2.0
289.07028	1.7
289.11871	13.2
299.10281	19.2
311.65982	1.7
317.11362	97.1
335.08871	2.2
335.12787	17.0
335.62482	1.8
345.13495	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.3
51.02382	0.3
53.00309	0.2
53.03948	0.6
55.01873	0.9
55.05510	0.2
60.24722	0.1
63.02367	0.1
65.03931	0.7
67.01878	0.1
67.05510	0.4
67.17409	0.1
68.99789	0.1
69.03433	0.4
71.25089	0.2
77.03922	0.2
78.76269	0.1
79.01856	1.5
79.05496	2.8
80.02633	0.1
81.03416	1.0
81.07081	0.2
83.01364	0.1
91.05482	17.9
92.05812	0.1
93.03423	0.1
93.07046	3.5
95.01328	0.5
95.04987	0.5
95.08636	0.1
98.97608	0.1
103.05466	1.2
104.19077	0.1
105.03418	0.4
105.04494	0.2
105.07032	1.3
107.01318	1.5
107.04958	4.0
109.02869	0.3
109.06496	0.4
113.53265	0.1
115.05452	4.6
116.06244	4.7
117.07025	2.6
119.04955	1.1
119.06075	0.2
119.08582	6.5
120.05703	0.2
121.02896	0.1
121.06485	0.5
124.91093	0.1
127.05484	0.2
128.06230	8.0
129.07008	3.8
130.07712	0.1
131.04933	1.6
131.08571	13.2
132.02080	0.1
132.05702	0.5
132.08911	0.1
133.02869	0.1
133.06496	1.1
133.07472	0.1
134.19638	0.1
135.04411	1.2
141.01872	0.1
141.06990	5.6
142.07762	0.3
143.04964	0.2
143.06081	0.2
143.08562	1.2
144.05707	5.6
145.02861	0.1
145.06482	3.1
147.04430	0.8
147.08046	2.2
149.02330	0.2
151.03883	0.1
152.06223	0.2
153.05502	0.6
153.06770	0.1
155.06059	0.7
157.06512	0.2
158.03680	0.2
158.07269	0.4
159.04443	2.3
159.08057	11.6
161.02348	0.3
161.05962	0.7
163.03941	0.1
169.06447	2.5
169.07678	0.6
170.07239	0.1
171.04375	0.2
171.08006	0.8
172.05174	1.8
172.06520	0.1
173.02359	0.3
173.05992	1.6
175.03914	0.1
177.05464	0.2
179.03389	0.2
181.06573	0.1
185.06038	0.1
186.06873	0.1
187.07544	20.3
188.07916	0.2
190.06174	0.1
191.03455	0.2
192.04138	0.1
195.08049	0.1
197.05962	1.2
199.04013	0.2
200.04721	0.8
205.08559	0.7
215.07016	9.9
219.06456	0.1
231.08037	0.1
233.08083	100.0
234.08455	1.3
235.08495	0.2
246.10356	0.1
256.09485	0.3
274.09869	0.2
281.08221	0.1
289.12247	0.2
293.08191	0.1
293.11584	0.1
317.11658	0.9
335.12775	17.4
335.21750	3.2
336.13004	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
56.61768	1.1
65.03931	2.9
65.57616	1.0
67.05505	4.7
69.03415	1.0
69.07076	100.0
69.63108	1.7
69.63518	4.1
71.39128	1.0
79.05503	1.7
81.07063	4.6
92.04996	4.3
93.07055	1.9
94.06572	3.4
95.04947	1.0
97.06546	15.6
98.97579	1.1
106.95683	0.9
107.08582	1.4
108.04436	1.2
119.03660	1.9
122.06020	8.6
124.07576	2.1
125.06001	1.9
134.05966	0.9
137.05936	2.8
138.05550	5.5
138.06375	1.1
140.07057	6.5
144.08096	2.3
145.08856	3.6
145.09999	1.0
146.09644	3.5
147.99390	1.0
148.03938	4.2
150.05518	69.4
157.08896	2.7
160.07599	1.2
161.08376	3.7
162.09174	1.4
164.03432	2.2
166.05011	28.6
168.06581	2.1
172.07607	1.2
172.11220	5.2
173.08353	2.6
174.09119	1.7
174.12804	5.5
176.03407	7.3
178.04994	1.9
185.08383	1.5
186.07657	1.6
188.10722	1.3
190.12314	4.6
194.04469	2.5
198.07913	1.5
199.06186	1.0
200.07147	1.3
200.10786	7.9
202.12262	7.6
213.10266	2.1
216.10182	3.5
218.08350	1.4
218.11803	27.4
226.08797	1.5
228.10236	16.9
229.13495	1.3
230.11717	1.0
234.11281	2.8
243.11227	1.3
244.09677	2.7
246.11317	21.3
255.11391	1.2
256.09506	1.3
266.73636	1.1
271.10794	5.1
272.09137	3.7
272.58176	1.0
273.12177	3.4
274.10706	3.9
280.83392	1.0
287.10239	8.1
289.11911	7.3
290.10101	1.6
299.10324	7.4
317.11346	26.1
335.12396	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	335.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.8
55.01874	6.3
55.05510	1.1
56.96576	0.9
57.01918	0.7
57.03429	1.2
57.07082	8.6
67.05497	2.3
68.99780	0.7
69.03419	1.6
69.07069	2.0
70.06651	4.1
71.01353	1.4
71.04997	1.1
72.08145	0.6
73.02937	3.2
79.05508	1.1
80.05021	0.7
81.03410	0.6
81.07075	1.2
83.04968	0.7
84.04504	1.9
84.08135	1.4
85.02897	4.0
85.06548	1.9
86.09718	1.9
91.05476	2.8
93.07025	1.5
94.06590	0.7
95.01333	1.3
95.04952	0.8
95.08607	1.8
96.08159	0.6
97.02900	1.6
97.06527	1.2
98.97576	1.0
107.08646	0.7
108.04453	0.7
108.08103	1.1
109.06537	0.7
109.10217	0.9
113.02377	1.4
119.08588	1.3
120.04514	1.0
120.08138	0.7
122.06079	1.8
124.07613	2.4
126.05537	0.9
126.09118	0.9
130.04984	1.2
130.06505	0.8
131.08585	1.8
132.08121	0.8
134.06018	1.1
136.07562	1.8
137.09625	1.6
138.05505	2.7
138.09180	0.7
140.07094	0.9
141.01819	2.0
144.08160	0.8
146.06003	1.9
146.09666	0.7
147.04413	0.7
150.05515	1.5
153.01865	1.4
153.05438	1.2
154.05028	1.0
155.10674	1.9
157.07625	0.7
157.08904	1.0
159.10191	2.9
162.05501	0.8
162.09116	1.1
164.03419	0.7
166.04996	2.6
167.07115	1.5
168.06624	1.4
170.09608	1.0
172.07651	1.3
172.11208	1.0
173.07205	1.0
173.10753	1.2
173.13190	0.7
174.09160	1.1
178.05064	1.3
178.08720	1.5
182.08382	2.1
184.07608	1.2
184.09950	0.8
186.07780	0.9
186.09277	1.2
187.08746	1.0
188.07101	2.3
189.07526	1.4
192.02983	1.8
194.04510	1.7
197.10770	1.8
198.09355	1.5
199.08620	1.5
199.12410	0.9
200.10823	1.7
201.10252	5.1
202.08670	1.2
203.08240	1.6
208.09752	1.2
210.07799	1.6
212.07205	1.0
213.10271	2.2
214.07442	0.7
215.08061	1.2
215.11908	1.8
216.08876	1.6
217.09763	2.3
225.10242	3.5
226.08864	1.6
227.08162	3.0
227.11824	1.9
228.10461	3.1
229.09793	6.5
230.10327	0.9
231.11485	0.7
241.09789	1.9
242.10643	1.6
243.07680	1.6
243.08885	0.8
243.11261	7.1
244.08409	1.2
245.09285	3.3
247.10849	1.1
253.09769	2.5
254.08221	1.4
255.11287	2.7
256.08514	0.8
257.04950	0.8
257.09225	17.5
257.11792	1.2
258.09991	1.7
262.24167	0.8
265.11926	0.8
269.09366	1.0
270.10046	0.9
271.07730	1.1
271.10782	20.1
272.09088	0.9
273.12393	0.9
275.10260	1.0
281.09097	1.8
287.10355	8.4
288.11017	1.8
289.11868	13.4
299.10312	21.9
307.12924	1.8
317.11356	100.0
318.12149	0.9
335.02267	0.9
335.12442	16.7
335.15970	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.2
58.36617	1.4
65.03936	4.0
65.28987	1.2
67.05504	6.3
69.03445	1.6
69.07076	100.0
79.05503	2.6
80.05037	2.0
81.03419	1.9
81.07054	4.3
84.08163	1.7
84.13316	1.1
85.02922	2.4
86.09711	3.0
91.05487	6.0
92.05006	4.5
93.07056	2.4
94.06573	3.0
95.04948	2.6
96.08094	1.5
97.02946	1.8
97.06535	18.2
98.97588	2.2
99.37408	1.4
105.07033	2.3
107.08636	2.1
108.04469	1.8
109.06499	2.3
121.02871	1.4
122.06039	9.9
124.07570	3.3
125.05992	2.1
132.00446	1.4
137.06013	3.7
138.05521	4.4
140.07071	7.1
144.08105	2.1
145.08904	2.1
146.09662	1.8
148.03978	3.3
148.25806	1.3
149.02393	2.5
150.05522	88.5
152.03394	1.9
153.01834	5.6
153.05530	2.5
157.08870	1.4
161.08353	3.5
162.09137	2.5
164.03465	1.5
166.05019	31.3
168.06544	1.9
172.11229	3.4
174.12750	4.6
176.03577	6.4
178.04985	2.1
180.76659	1.3
185.08502	1.2
188.10777	2.2
190.12285	3.8
194.04529	4.4
198.07889	1.7
199.31825	1.1
200.10785	2.8
202.12398	6.3
213.10365	1.9
216.10226	3.8
217.04921	2.2
218.11780	12.0
222.09561	2.2
228.10228	11.0
229.13358	1.3
234.11258	2.0
237.03131	1.3
241.09616	1.4
243.11418	2.1
244.09837	1.6
246.11295	12.4
255.11316	1.7
256.09583	2.5
257.09445	1.4
261.07608	2.0
269.09509	1.6
271.10754	4.5
272.09174	3.4
273.12399	2.5
274.10794	1.7
287.10303	20.6
289.07004	2.7
289.11862	5.4
290.10315	1.3
299.10333	5.0
307.06348	1.8
317.11374	22.6
318.68765	1.3
327.07370	1.6
335.05478	1.7
335.08661	2.2
335.12604	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55931	1.5
56.96550	3.2
70.98161	1.8
78.26130	1.6
81.03449	2.1
82.99852	4.7
84.08116	2.2
85.01444	1.7
85.02911	3.2
86.99329	2.6
89.00945	1.8
91.05445	1.7
94.99840	2.3
97.01408	1.9
97.02923	3.5
98.97576	2.5
98.98449	2.4
101.00882	30.6
103.02409	1.7
109.02888	3.5
113.00878	16.8
113.04485	2.2
115.02423	6.2
118.01155	1.7
119.01923	30.8
119.04945	2.4
123.05565	3.1
127.02402	4.6
129.03972	3.8
130.06520	4.1
131.01920	35.6
131.05544	13.1
133.03493	9.5
137.00856	5.7
137.02983	2.0
139.02417	2.4
139.03925	2.6
143.01900	63.3
145.01620	3.2
145.03481	16.6
147.01347	2.4
147.04414	5.8
149.02972	2.6
149.06595	10.3
153.19023	1.6
155.01901	50.2
155.05550	4.5
156.02737	7.9
157.03505	13.3
159.05014	6.1
161.02972	57.8
167.01947	2.4
169.03465	2.3
169.07129	2.5
173.02974	30.6
173.06606	36.9
174.03725	2.0
175.04544	4.6
177.06059	4.5
185.02985	10.1
185.06602	51.7
187.04469	2.8
187.08185	7.9
191.07660	11.3
196.04497	2.0
197.06593	4.0
199.08220	2.4
201.06010	3.3
203.03989	21.8
203.07645	19.7
209.06499	2.6
215.04022	3.8
215.07640	17.4
217.05486	3.6
217.09187	2.6
221.05074	58.1
227.07680	6.0
233.05132	2.0
233.08725	3.9
235.06514	2.5
245.05066	6.8
253.07683	5.1
257.08664	18.9
275.09756	79.1
293.05460	3.6
293.10828	100.0
303.05569	2.1
316.12509	2.6
335.08237	6.2
335.11893	75.2
346.33594	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	2.5
58.99867	1.7
69.03435	1.2
70.83839	0.7
70.98132	0.7
70.99855	2.5
71.54031	0.9
77.00904	3.2
81.03414	3.1
82.99876	2.6
85.01472	0.7
85.02914	2.0
89.00893	2.6
91.05477	0.8
97.01395	1.6
97.02882	1.0
98.97556	0.8
99.04471	1.1
100.00098	1.2
101.00890	17.6
102.00944	0.7
103.02451	1.1
109.02859	5.0
109.08493	0.8
113.00864	7.1
115.02448	6.3
118.01148	1.9
119.01933	18.4
119.04992	1.2
121.01563	0.7
123.05524	1.2
127.02436	4.1
129.04007	2.1
131.00938	0.8
131.01917	13.8
133.03485	5.0
135.01407	2.1
138.01660	2.6
139.02425	5.2
139.03951	1.0
141.00330	1.4
141.03940	1.5
142.01160	1.3
143.01894	8.5
144.02640	1.3
145.03488	10.6
146.99628	0.7
147.03311	0.9
147.04402	3.0
149.02969	2.1
151.02448	1.3
154.90901	0.8
155.01889	5.7
156.02692	8.0
157.03471	19.9
159.01428	2.1
159.05066	5.0
160.02126	0.8
161.02965	8.5
163.02699	0.9
163.04575	0.8
166.01195	2.0
167.01901	5.9
169.03462	5.6
171.01453	0.9
171.05025	1.6
172.02180	0.8
173.03009	7.3
173.06609	2.9
175.03108	0.6
175.04570	3.9
177.02487	2.5
181.03487	1.9
183.05060	0.8
184.02176	4.6
185.02982	12.7
185.06598	4.0
187.00952	0.9
187.03009	0.8
187.04514	3.7
189.06027	0.8
190.98743	1.4
191.03938	0.9
195.05038	0.9
197.03017	2.6
199.04535	8.0
200.01704	2.1
201.02501	2.2
201.06186	1.0
203.02254	1.4
203.03986	6.9
203.07600	1.7
211.04660	1.0
213.02422	1.0
213.06119	1.1
215.03996	6.4
217.05597	8.9
219.03484	2.9
221.03304	1.4
221.05125	4.9
223.04849	0.9
225.02620	1.2
227.04022	1.6
229.03683	1.1
229.05688	1.2
232.99774	1.6
233.05054	3.2
235.06653	27.4
239.04123	1.4
241.05652	1.2
243.03540	2.4
245.05084	2.3
253.07719	33.0
257.05069	2.0
259.06635	1.7
267.09253	0.9
271.06458	0.9
271.08975	1.2
275.06168	1.5
275.09799	3.9
289.07513	5.7
293.10788	5.9
299.06357	2.0
303.05695	2.5
307.08768	7.7
317.03610	0.5
317.07187	14.0
335.08249	100.0
336.08435	2.6
353.09308	32.6
354.09781	0.9
358.09805	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.05518	5.3
56.05043	3.3
56.96568	1.7
57.03455	0.8
57.07095	3.3
60.04533	100.0
61.02932	0.8
64.28372	0.6
67.05514	11.9
67.05873	0.6
68.05048	1.4
69.03444	0.7
69.07080	7.8
70.06607	1.1
70.08778	1.7
70.09180	1.2
71.05028	0.8
71.08643	1.1
72.04524	2.5
73.02943	0.6
73.09942	0.6
74.06094	2.0
79.05499	4.1
80.05017	1.7
81.07066	10.2
82.06576	1.0
83.04996	1.0
83.08617	4.8
84.08179	0.7
85.02917	1.0
85.06535	0.7
90.05563	1.6
91.05504	2.7
93.07039	3.5
95.04986	1.2
95.08619	13.2
96.08109	0.8
97.06544	1.0
97.10179	3.0
98.06065	0.8
98.97596	1.7
102.05553	1.8
105.07029	2.0
107.08605	2.5
108.08143	0.7
108.63579	0.6
109.06536	0.5
109.10161	5.8
109.27968	0.5
111.08106	0.6
111.11768	0.8
112.44368	0.5
116.07099	1.7
116.28863	0.6
119.08606	1.2
121.10163	1.2
123.11724	2.4
131.00153	0.6
133.10178	0.9
135.11681	1.5
137.13316	0.8
151.14828	0.7
201.01894	0.7
221.22751	1.2
239.23805	1.5
250.25304	1.2
251.23746	0.8
262.25244	1.5
269.12613	1.3
280.26367	8.5
283.50681	0.6
298.27463	17.9
311.06641	0.9
316.28494	40.4
334.29556	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	334.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41705	1.0
55.01863	2.8
55.05517	10.1
56.05031	2.7
56.96568	8.5
57.03416	1.1
57.07087	5.1
58.06586	4.0
60.04516	3.2
65.03939	2.4
67.05178	1.1
67.05511	14.0
68.99784	2.7
69.03423	1.2
69.07072	11.0
70.06596	34.6
71.08631	2.3
71.54922	1.8
72.06094	1.2
74.06086	1.7
76.92866	1.4
79.05491	6.5
81.07045	9.8
82.06574	2.0
83.04980	3.0
83.08627	4.8
84.96044	1.7
85.02923	2.1
85.06527	1.5
85.10207	1.3
86.06071	2.6
87.04494	1.1
88.07154	1.9
88.07638	19.1
91.05483	2.9
93.03423	3.1
93.07052	7.0
95.04984	19.1
95.08619	10.0
97.02908	2.9
97.06561	5.3
97.10165	2.3
98.97591	3.7
98.98478	6.2
104.07090	1.6
105.00189	2.0
105.07043	3.5
106.15543	1.1
107.04967	5.1
107.08611	6.3
109.06490	3.0
109.10130	3.3
110.06033	3.0
111.04451	3.1
111.08071	3.3
111.11758	1.3
112.07619	5.9
113.96419	2.4
116.98643	1.8
117.07004	1.4
119.08598	2.2
121.02885	3.5
121.06487	1.9
121.10148	4.2
121.53909	1.0
123.01196	2.1
123.08041	1.3
123.11687	1.1
125.05986	2.8
125.09605	1.4
131.08536	2.3
132.10225	6.0
133.10152	1.8
135.08069	2.1
135.11679	1.3
137.05980	1.4
137.88438	0.9
138.05518	13.3
138.15956	1.0
139.03888	3.3
139.07527	2.2
141.02261	1.2
145.06436	1.3
145.10104	2.0
151.03906	1.1
153.09076	1.2
154.08636	29.2
154.09831	2.1
159.11606	1.5
162.11267	1.2
163.07585	5.4
163.14841	2.9
166.10786	2.1
176.63974	1.2
189.12709	1.5
191.07013	9.3
193.01740	4.4
205.16010	2.9
209.01279	1.4
211.02821	4.0
221.08432	1.2
223.16951	11.9
229.03767	1.2
237.00737	3.9
242.24825	16.8
249.07973	2.9
255.01726	3.8
263.68890	1.0
265.07336	1.8
265.18073	1.4
267.05289	1.1
267.09052	4.3
267.67236	1.1
271.20731	1.3
278.10919	1.1
283.08591	3.9
286.27399	4.6
293.07208	9.8
311.08163	32.5
316.19553	1.4
316.22748	4.9
316.28372	1.4
317.21097	24.0
329.09082	9.6
332.17899	1.1
334.09561	3.8
334.17502	23.4
334.23764	100.0
334.29514	53.8
335.21667	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	334.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71137	0.5
53.03938	0.8
55.01878	1.1
55.05503	0.7
56.96572	4.1
57.03437	0.8
60.04519	1.6
61.02929	2.6
67.05498	1.5
69.03436	6.4
69.07052	0.5
70.06589	1.4
71.05020	0.7
71.54795	0.8
72.08142	0.9
72.38224	0.6
73.02929	0.9
79.05503	1.0
81.03421	2.2
81.05796	0.8
81.07047	0.9
84.04504	0.9
84.08138	1.2
84.96046	1.4
85.02913	9.9
86.09725	5.1
87.04469	1.5
87.05555	0.6
87.53365	0.6
88.04012	0.6
89.03938	0.6
91.03950	1.0
91.05473	1.3
93.07035	1.6
95.04982	0.8
96.04489	0.7
96.08147	8.4
97.02888	3.8
98.21140	0.8
98.97598	6.0
98.98249	0.7
98.98463	0.6
106.06557	0.6
107.04961	1.1
108.08134	3.5
109.02872	1.2
110.06045	2.4
116.98635	2.9
117.03387	1.2
119.99398	0.6
123.05577	0.6
124.07618	18.5
126.05510	1.3
126.09171	1.1
127.03935	2.0
128.10739	0.6
134.99664	1.1
135.04474	0.7
136.07596	15.9
137.05933	1.3
140.07141	0.7
142.08658	3.7
143.00162	0.8
145.02791	0.8
145.05000	1.0
152.07050	0.7
154.08650	42.6
155.07039	1.1
161.01279	0.8
163.03932	1.9
172.09708	100.0
173.10149	1.0
173.12868	3.2
177.00731	0.8
187.14482	1.7
188.08362	0.5
195.03186	0.6
196.09808	0.7
201.12338	2.6
219.01772	1.3
251.04453	0.9
269.05487	2.2
271.50375	0.6
272.23615	0.6
293.05466	2.8
311.06531	6.9
318.11789	0.6
334.15051	4.9
343.10605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01884	0.9
55.05518	6.2
55.59052	0.9
56.96582	1.5
57.03441	2.5
59.05005	1.0
60.41721	0.9
61.02925	2.5
69.03439	6.3
69.07056	0.9
70.06589	2.7
71.04987	3.6
71.13536	1.6
73.02911	1.5
79.05486	5.2
81.03417	2.3
81.06594	1.4
81.07066	20.8
83.08639	8.0
84.08135	1.4
85.02916	17.0
85.06539	3.7
86.00662	5.5
86.09718	1.2
87.04471	1.0
91.05472	1.5
93.05777	1.0
95.04990	1.1
97.02895	6.1
97.05273	0.9
97.06527	1.0
98.06063	1.6
98.09689	2.6
98.97585	2.3
99.04453	1.6
99.08094	2.7
108.08133	5.3
109.02887	2.8
109.06528	21.2
111.04434	1.2
126.09161	50.8
127.03886	2.0
127.07565	22.3
132.01169	7.9
136.07607	1.8
137.05971	3.1
145.04976	1.6
147.04355	1.2
154.08643	72.9
155.05756	2.1
155.07040	48.1
172.09698	100.0
174.09355	0.9
270.04340	5.0
311.06403	1.0
320.86218	0.9
334.09052	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	334.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.0
55.01865	1.2
56.96563	2.0
57.03444	1.3
61.02917	3.0
69.03435	4.7
70.02979	0.9
70.06586	1.6
70.29176	3.1
73.02902	1.1
81.03407	3.1
84.04505	1.0
84.08134	0.9
85.02911	27.9
86.09703	4.6
88.03986	1.0
91.03993	1.0
91.05487	12.0
97.02917	7.8
98.21461	1.2
98.97589	2.3
98.98523	1.0
101.33915	1.0
107.04957	1.2
109.02868	3.0
109.06501	1.5
116.98637	1.2
119.04936	7.5
127.03962	5.6
130.06520	3.4
131.04843	1.0
137.05988	100.0
138.05386	1.1
138.06390	0.9
145.04985	7.1
147.04366	1.4
151.07564	1.4
153.05434	1.0
154.08702	1.1
155.07030	7.6
158.06033	3.0
159.09120	0.9
172.09653	3.0
175.08646	4.0
179.07063	2.1
180.08635	2.7
221.09293	6.9
228.97629	1.0
237.08261	1.2
263.09106	1.6
263.53513	0.9
317.11414	1.5
334.14822	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	333.2638
Annotation	9,10,18-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
53.03942	8.1
53.27246	7.7
55.05515	54.8
56.96567	26.5
57.03449	10.8
57.07074	32.0
61.02923	7.9
63.08858	7.7
63.87997	7.9
66.19405	8.0
67.05513	89.6
69.03428	52.0
69.07075	54.7
71.04997	11.4
71.08648	16.1
71.34014	6.9
71.54525	7.3
71.54903	9.6
79.05505	75.5
81.03448	13.1
81.07062	89.9
83.04996	29.7
83.08620	38.3
85.02927	10.8
85.06551	14.5
91.05486	34.4
93.07056	95.4
95.08627	68.7
97.06567	12.8
97.10192	24.0
98.97601	10.8
98.97808	11.3
98.98473	100.0
105.07027	24.6
107.08606	43.4
109.10190	26.8
111.04465	51.4
111.08090	10.0
111.39270	6.9
117.07070	8.3
119.08605	14.2
121.06550	11.3
121.10161	71.2
123.11736	27.9
125.06018	12.4
127.04004	7.1
129.05504	88.6
131.08604	18.1
133.10153	23.8
135.08110	9.7
135.11703	50.8
137.13289	11.7
145.10228	8.7
149.02356	9.5
149.13283	18.2
159.11729	12.1
175.03989	9.7
176.98996	14.2
193.05034	12.6
193.19490	8.1
210.64247	11.8
215.11382	16.0
219.21059	90.6
219.22662	7.4
225.97231	8.0
237.22171	65.6
243.21045	13.4
243.90752	6.7
253.12929	33.1
261.22076	9.8
271.14026	11.0
279.23315	26.0
297.24292	20.4
333.16617	17.9
333.20288	41.4
333.24609	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	333.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	2.7
55.01870	3.6
55.05521	20.6
56.96558	5.6
57.03420	3.3
57.07064	12.1
63.02336	2.4
67.05506	29.4
69.03441	22.6
69.07074	17.7
69.47967	21.0
71.04991	4.6
71.08634	7.4
79.05501	37.8
81.07063	40.4
83.04982	15.4
83.08624	17.5
85.06538	7.5
90.41956	2.8
91.05471	12.9
93.07047	33.9
93.46950	2.6
95.04980	3.0
95.08617	29.8
97.06539	5.1
97.10162	7.7
98.97572	4.7
98.97803	3.5
98.98475	46.5
104.09016	2.6
105.07024	12.7
107.04936	11.4
107.08611	22.4
109.09444	2.6
109.10136	13.9
111.04440	22.0
111.11694	2.8
116.98625	2.6
119.08559	7.4
121.06506	3.7
121.10160	37.7
123.11703	9.9
125.05987	4.5
129.05492	55.1
131.08562	6.6
133.10161	6.6
135.11699	18.9
139.07568	4.2
139.08688	2.9
145.10162	3.3
147.11780	4.6
149.02364	3.5
149.13300	5.8
153.09137	4.7
163.11226	2.7
163.14700	3.7
176.98863	3.0
181.83043	2.6
193.04959	8.4
219.21065	36.7
224.65619	9.9
237.22165	27.1
243.21022	4.8
279.23178	10.9
297.24207	12.6
333.11646	13.0
333.16830	5.2
333.20367	100.0
333.24487	10.6
333.31720	4.1
352.06503	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	333.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31951	5.4
52.00702	5.9
54.47799	5.9
55.05504	20.2
57.07077	20.5
60.57854	5.4
67.03675	6.5
67.05498	20.7
69.03429	9.5
69.07057	10.5
70.67744	18.4
71.08631	18.2
79.05493	20.6
81.07050	25.9
83.04978	16.3
83.08599	11.9
85.10165	9.2
89.06041	6.6
91.05463	14.5
93.07046	15.5
95.08620	23.0
97.06555	7.1
97.10186	10.0
98.98485	100.0
100.98875	7.6
105.36113	7.9
107.08613	18.6
109.10135	10.6
111.04436	13.7
119.08611	11.5
121.10149	24.0
123.11697	6.2
129.05482	12.7
135.11739	12.2
149.13249	7.7
176.99002	8.7
219.21133	14.8
237.22159	27.7
261.16608	6.5
279.23209	7.6
297.24176	32.9
301.17737	6.7
333.20108	7.8
333.24442	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	333.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34434	3.1
55.05306	3.6
55.05518	40.7
57.07077	20.6
60.85347	3.3
61.02940	3.4
67.05515	55.2
69.03441	42.0
69.07078	28.0
70.94499	9.0
71.05007	4.9
71.08634	15.0
72.08161	8.0
79.05500	60.2
79.07066	3.2
81.07059	63.3
83.04993	29.2
83.08623	27.1
85.06555	13.2
85.10183	6.4
91.05483	14.4
93.07059	58.0
93.25465	3.2
95.04980	3.6
95.08619	55.1
97.06525	11.4
97.10187	16.9
98.73422	3.5
98.98480	17.3
103.83918	3.4
105.07027	11.3
107.05019	4.0
107.08615	36.8
109.06544	5.0
109.10163	28.5
111.04452	52.3
111.08116	5.9
111.11711	7.3
119.08594	8.4
121.06564	4.8
121.09315	6.6
121.10150	72.5
123.08100	3.9
123.11685	15.5
125.05947	5.6
125.09648	4.2
129.05496	100.0
131.08627	9.0
133.10129	7.5
135.11699	42.0
137.13225	7.9
139.07512	8.1
145.10112	3.9
149.09637	5.4
149.12184	3.4
149.13293	12.8
153.09102	5.7
155.14362	5.6
159.11708	5.2
161.13292	4.4
163.14787	5.4
176.42957	3.3
217.19548	3.9
219.21085	78.2
237.22157	59.6
243.21173	11.8
254.04404	3.9
261.22214	9.0
279.23254	24.9
280.08890	3.4
297.24207	24.5
333.11151	10.2
333.16843	4.2
333.20328	4.7
333.24268	7.1
334.31412	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	333.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	47.6
57.07073	39.0
63.88521	10.7
67.05505	58.7
69.03430	30.0
69.07072	40.9
70.06587	9.8
71.08630	29.5
71.55826	16.4
73.34266	9.6
79.05491	64.0
81.07060	85.6
82.30542	10.8
83.04990	29.9
83.08576	24.5
85.10170	14.1
89.06077	14.2
91.05479	36.5
93.07066	63.0
95.08619	68.8
97.10191	14.3
98.65820	9.8
98.98464	69.6
105.07035	18.2
106.30720	10.8
107.08581	34.4
109.10152	20.2
111.04448	65.2
119.08581	25.0
121.10155	61.6
123.11689	24.2
129.05508	100.0
133.10120	12.7
135.11716	37.3
137.13240	21.9
139.07530	10.1
159.11740	10.2
208.13400	9.8
217.19771	12.0
219.21117	70.5
237.22150	63.0
246.44662	11.5
279.23126	32.1
297.24280	32.1
333.24536	22.1
333.29443	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	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.6
56.96569	0.9
57.07075	0.8
64.91826	0.4
67.05508	2.8
69.03435	1.0
69.07068	1.1
70.59665	1.5
79.05490	3.0
81.07067	3.2
83.04981	1.2
83.08629	1.3
91.05477	1.5
93.07047	3.3
95.08620	2.7
98.98460	5.1
105.07020	1.7
107.08603	1.9
109.10184	0.6
111.04436	1.9
119.08536	1.2
121.10107	2.4
123.11697	0.7
129.05453	3.2
131.08562	0.8
133.10172	1.3
135.11702	1.8
147.11711	0.7
149.13358	0.5
159.11757	0.6
165.62009	0.5
168.42528	0.6
207.07243	0.6
219.21117	2.2
222.60365	0.5
224.65771	1.0
237.22122	1.6
243.14565	1.0
333.20383	100.0
334.20773	0.6
351.19864	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18104	2.0
55.05502	3.4
56.96577	2.9
57.03421	2.1
57.07050	2.7
58.06605	7.7
67.05499	7.8
69.07058	6.4
79.05498	5.0
81.07051	9.4
91.05489	24.7
92.05817	6.3
93.07024	6.2
95.08636	4.0
98.98466	21.4
100.98886	3.6
105.07013	7.9
107.08618	4.4
109.05558	2.0
109.06522	2.9
109.10120	3.9
109.87426	2.3
117.07045	2.7
119.08593	5.5
121.10162	4.3
125.42664	2.3
131.08603	2.5
132.35594	2.2
133.10147	7.8
135.11667	2.9
147.04405	7.1
147.11684	2.4
173.13225	2.4
189.05507	3.7
241.27104	3.6
260.06171	2.4
299.50436	2.2
315.19315	49.1
333.11349	5.2
333.14188	4.3
333.20422	100.0
333.24225	11.8
333.33514	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	333.204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.7
56.96575	0.9
67.05508	2.1
69.07063	0.8
70.72254	2.1
79.05500	1.3
81.03418	0.8
81.07040	1.5
84.14256	0.8
91.05479	1.2
93.07033	1.5
95.08607	1.0
98.98476	8.8
100.70575	0.7
105.06994	1.4
119.08538	0.8
121.10177	1.6
128.06187	0.8
129.07045	0.8
133.10172	1.1
147.04457	1.0
167.03455	0.9
176.98904	1.0
211.80824	0.8
213.05533	1.5
221.11528	1.2
225.08223	0.8
235.12927	1.7
247.06709	0.8
251.12743	1.1
317.08273	0.8
333.11960	4.3
333.17029	4.3
333.20386	100.0
334.20493	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
72.84589	0.6
74.55849	0.8
79.05516	0.9
81.91051	0.7
95.08599	0.8
98.98479	5.3
119.08535	0.8
144.06648	0.7
181.17438	0.7
216.95053	0.8
247.07674	1.0
255.09406	0.7
256.09521	0.9
273.09290	0.9
287.10684	1.0
289.08740	1.0
290.08987	1.1
301.08627	1.7
315.10004	0.9
317.08218	3.3
318.08844	2.6
333.11346	27.3
333.20392	100.0
334.11456	1.1
334.20953	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80901	0.6
56.96564	1.3
62.75950	0.7
67.05511	1.7
67.51497	0.6
69.03416	0.7
69.07052	0.6
71.55573	1.1
72.76711	0.6
77.00911	1.2
79.05514	1.4
80.49364	0.5
81.07064	1.0
88.07623	0.7
91.05502	1.1
93.07005	0.9
95.08650	0.7
97.10067	0.6
98.98479	15.2
105.07073	1.5
107.08601	0.8
119.08598	1.2
119.91653	0.7
121.10162	0.6
133.10213	0.6
153.05406	0.8
161.05986	1.0
162.28781	0.8
175.03870	0.7
176.98914	1.0
195.09952	1.7
211.30141	0.7
213.09770	1.0
215.11240	1.0
231.10931	1.4
233.12451	0.7
245.74837	0.6
276.86844	0.7
287.11832	1.6
306.04816	0.6
311.06894	0.7
315.18237	1.7
333.16925	5.4
333.20392	100.0
348.93018	0.6
351.20157	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1909
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
50.54930	3.8
53.03938	4.5
55.05513	7.6
57.03428	9.2
57.07076	20.7
59.04990	12.6
61.02927	11.0
67.05508	15.7
67.91959	3.0
69.03436	31.1
69.07066	15.7
69.19641	32.2
71.04990	6.7
73.02921	4.1
76.08675	3.1
81.03410	10.6
81.07059	9.9
83.08640	6.4
83.49847	3.2
83.98647	3.6
85.02912	94.5
85.06541	13.0
87.04457	5.7
91.03954	6.4
91.05491	8.3
93.07046	8.0
95.04974	3.9
95.08611	61.5
97.02901	25.9
97.06560	5.4
99.04465	5.2
99.08099	13.8
105.07054	8.6
107.04965	4.6
107.08620	10.5
109.02888	10.6
109.06519	11.5
109.10158	21.7
109.95213	3.3
111.08080	11.9
111.11693	4.8
113.09652	78.8
121.06513	10.4
127.03918	20.6
127.11210	46.3
133.02872	4.4
133.06496	4.8
135.11671	20.1
137.13274	6.2
138.98895	3.3
145.04948	26.2
152.06258	4.9
153.05481	5.9
153.07010	7.9
153.12761	100.0
155.14331	14.7
163.05885	3.2
165.06998	5.0
167.07011	9.2
169.06500	8.7
171.13808	56.4
179.07004	4.7
181.06526	16.7
181.08517	16.5
193.08516	5.4
195.08018	7.3
197.05905	4.2
198.06799	9.1
199.07564	5.0
213.09158	8.4
213.14857	5.7
215.07156	4.3
226.06256	6.8
241.08539	9.2
243.06456	7.4
269.08047	4.5
271.06058	4.6
273.11258	15.8
301.10608	26.2
315.12933	4.0
333.13412	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	333.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18018	0.3
56.96558	0.4
60.06530	0.4
61.26936	0.4
69.36382	3.1
80.05016	0.6
82.06595	1.0
98.97546	0.5
98.98478	1.7
103.05456	1.4
107.04964	0.6
108.04485	1.3
108.05217	0.4
119.04907	0.4
120.08126	0.4
123.04435	0.7
125.07142	4.1
126.05494	1.3
139.03894	0.6
147.04419	1.1
150.05469	0.4
171.09949	2.1
188.06973	0.5
197.07097	0.4
208.76837	0.5
221.60518	0.4
266.42664	0.4
270.80869	0.4
315.10025	0.8
315.13550	0.7
333.15210	100.0
334.15414	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.9
56.19778	0.9
56.96568	41.5
57.03434	1.5
61.02905	1.5
67.05491	3.7
69.07066	2.8
70.22002	0.9
70.59025	3.1
71.95264	8.7
72.96032	1.6
79.05489	4.3
81.07051	4.4
83.04983	1.3
83.08594	1.2
84.96031	3.6
85.02887	1.1
85.06506	1.0
91.05498	6.2
93.07057	4.9
95.08605	4.1
97.06526	1.2
97.96792	6.1
98.97576	3.1
98.98473	12.1
105.00172	1.6
105.07024	3.3
107.08579	3.3
108.38105	1.1
109.06472	1.4
109.10143	1.4
110.97575	17.9
112.99139	1.1
115.97843	1.5
116.98602	1.5
117.07001	1.3
119.01738	2.0
119.08583	4.4
120.20933	1.0
121.10162	1.7
123.01205	1.4
123.04432	1.1
128.98613	23.9
131.08574	1.7
133.10118	2.7
135.11757	1.4
137.02750	2.3
139.99983	1.1
141.02174	1.1
143.00177	3.0
145.10143	1.3
146.99661	12.8
147.11684	1.9
152.00180	1.7
158.03625	1.0
161.01201	3.0
161.13377	1.2
165.00732	1.3
167.03636	1.7
169.01755	1.3
171.03291	2.3
173.13303	1.3
181.22462	1.2
185.04955	1.9
185.13321	1.3
189.04327	2.0
199.06471	1.3
203.05917	2.2
213.08122	1.1
225.08051	1.8
241.11070	1.8
245.10622	2.4
252.10236	1.3
263.09570	6.4
265.11093	2.5
287.10776	2.2
294.61472	1.0
297.55807	1.1
303.12662	3.6
313.14862	1.6
315.16302	84.8
316.16531	1.7
331.15900	3.6
332.65787	3.2
333.10992	3.2
333.17365	100.0
333.24158	6.5
334.17810	1.9
347.18906	1.4
351.18393	15.2
356.18991	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	333.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49891	1.2
51.75094	1.5
53.03933	2.1
55.01870	5.7
55.05504	5.6
56.05022	1.2
56.96564	1.6
57.03452	1.4
57.45103	1.3
58.99593	2.4
60.04520	3.0
64.33677	1.3
65.03924	2.0
67.05505	2.8
67.59286	1.4
69.03415	2.3
69.07059	5.1
69.69351	2.6
69.69756	5.4
71.04995	2.5
74.26883	1.4
76.02226	2.3
79.05502	4.8
81.07044	3.0
83.08624	7.7
84.08150	4.0
85.02908	45.6
86.00656	6.3
86.09705	10.9
87.10024	2.3
90.05559	1.6
91.05481	16.2
93.07060	4.7
95.04967	3.1
95.08602	4.8
97.02935	1.7
98.09676	1.5
98.98476	11.8
99.04485	1.9
101.04210	1.6
103.05474	4.0
105.03417	1.7
105.04532	1.4
105.07053	9.5
107.04962	5.2
109.06515	2.9
109.10181	1.4
111.04453	3.2
113.04237	3.2
113.09670	2.1
115.05486	2.0
119.04960	9.5
120.05738	1.8
120.08137	3.7
121.06516	22.2
123.04463	4.9
123.08129	2.0
124.05128	1.6
125.06005	1.9
126.05527	2.8
127.03874	1.5
128.04431	1.2
128.06259	1.7
128.10736	1.7
129.06557	2.0
129.07419	2.5
129.10237	1.9
131.08513	1.6
132.05740	1.7
133.02899	1.4
133.06522	5.7
135.04456	1.9
136.06242	1.7
137.06033	4.0
138.06783	1.6
139.03905	2.4
140.07053	7.2
141.06926	2.5
147.04431	5.5
147.52513	1.2
148.07588	6.3
149.05963	2.3
151.03923	2.1
151.07469	1.3
152.06145	6.9
153.05501	11.7
153.07016	14.0
155.04965	1.9
155.08521	1.6
156.08427	21.5
157.06448	2.6
160.04303	2.0
161.05995	5.2
165.05551	3.9
165.07034	10.1
166.07785	2.2
167.07085	14.3
167.08578	4.2
168.06636	3.6
169.06461	6.4
169.20909	1.6
170.07260	7.2
171.08046	2.1
173.05916	1.7
173.12885	4.2
174.05632	1.8
174.13173	4.7
176.98927	1.7
177.06993	2.7
179.07127	4.7
180.05708	5.2
181.06538	21.5
181.08652	23.6
182.07330	4.4
183.04417	2.9
183.08017	6.9
185.09673	3.8
187.07733	2.0
193.08664	10.4
195.08066	10.2
196.05324	3.1
197.05945	9.4
197.09288	3.9
198.06755	16.6
198.09407	7.5
199.07375	2.8
199.08907	2.3
205.08725	1.6
208.05273	2.3
209.06009	5.9
210.06847	2.0
211.07573	4.7
212.08197	1.8
213.08865	14.8
215.07106	4.4
216.10553	18.3
223.07413	2.5
225.05545	5.0
225.10278	4.0
226.06337	9.2
226.08662	2.5
227.07204	5.1
227.08139	4.8
227.11896	4.0
229.08704	1.9
231.07870	1.9
237.05571	3.3
237.10313	1.9
239.07080	1.9
241.08804	10.6
243.06534	9.3
245.11794	3.7
251.07231	1.5
251.11841	3.2
255.11411	14.6
258.08841	1.6
269.08246	6.0
269.12912	6.6
271.06119	4.4
273.11356	14.6
275.09290	4.2
279.11301	2.4
286.08420	4.4
287.10132	2.9
297.12329	11.5
301.10715	39.0
302.11456	9.3
315.09952	3.6
315.13388	45.4
318.10959	3.7
333.10721	3.9
333.14395	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01864	8.1
55.05526	2.6
56.96563	1.5
57.03454	2.8
57.07072	1.5
58.99590	3.0
60.04520	3.1
62.92598	1.3
62.98300	1.4
67.05515	3.4
69.03429	6.6
69.07079	2.7
70.06597	2.8
70.61030	4.8
70.87339	1.9
71.04992	3.0
74.00678	1.5
76.02229	2.3
79.05495	6.3
81.03430	3.2
81.07067	4.8
83.04967	2.0
83.06123	1.3
83.08639	4.5
84.04525	1.6
84.08147	3.4
85.02908	45.1
86.00661	10.2
86.09712	13.5
87.05611	1.9
87.10055	2.7
91.05491	21.6
93.07061	6.0
95.04984	3.3
95.08601	7.8
97.02900	3.3
97.06556	1.5
98.09708	4.1
98.97571	1.6
98.98473	13.2
99.04471	1.7
103.05484	4.7
105.04543	2.5
105.07041	9.9
107.04967	7.8
107.08630	3.3
109.06548	2.5
110.09618	1.8
111.04465	2.9
113.04245	4.6
113.09671	5.3
115.05468	3.8
119.04948	10.8
120.05739	3.3
120.08116	2.9
121.06517	21.1
122.09682	2.4
123.04471	5.0
123.08124	2.9
125.06033	2.0
126.05543	3.7
127.03906	2.7
127.11246	3.1
128.06238	1.7
128.10716	1.9
128.95753	1.5
129.07355	4.7
129.10294	1.4
131.04915	1.9
133.02863	2.4
133.06526	9.8
135.11647	1.8
137.06023	6.0
138.06734	1.4
139.03940	2.1
140.07040	4.0
141.07013	2.3
142.07848	1.8
145.06558	2.0
147.04405	4.8
148.07591	7.4
149.06026	2.8
151.03951	3.1
151.07574	3.0
152.06117	8.5
153.05588	11.4
153.06912	11.9
153.12773	5.8
154.07889	1.7
155.04883	1.9
155.08525	2.3
156.08449	30.1
157.06560	2.3
158.02745	1.8
160.04259	2.6
161.06001	5.0
165.05663	2.6
165.07043	10.5
166.07968	1.7
167.05014	1.8
167.07080	14.3
167.08614	5.0
168.06668	4.1
169.06537	5.6
170.07295	9.4
171.08141	1.5
171.13818	1.9
173.12923	6.6
174.13211	7.0
177.06985	1.8
179.06978	7.6
180.05742	4.1
181.04996	3.4
181.06537	27.9
181.08640	26.1
182.07289	4.5
183.04469	3.6
183.08138	5.8
185.06152	2.4
185.09583	2.8
187.07506	3.0
193.08659	11.8
195.07921	7.5
196.05360	3.2
197.06018	13.2
197.09227	3.9
198.06761	16.8
198.09419	9.3
199.07523	4.8
201.12363	1.8
202.12682	1.9
206.09564	1.8
208.05193	2.6
209.06017	4.9
211.07642	4.6
212.08238	2.8
213.08972	15.8
214.06152	1.6
215.07127	5.7
216.10576	34.5
219.10159	1.8
223.07556	2.7
225.05589	4.4
225.10272	1.7
226.06349	9.4
226.08702	3.1
227.07094	4.4
227.08263	5.1
227.11894	2.2
229.08687	2.2
231.08072	2.5
231.10219	1.9
237.05559	4.0
240.07941	3.2
241.08455	15.3
241.13412	2.4
243.06580	10.2
245.11848	5.3
251.07196	2.3
254.05649	2.4
255.11447	11.5
258.09030	3.6
269.08228	7.0
269.12967	4.1
271.06155	5.7
272.10437	1.9
273.11398	12.8
273.12729	14.8
275.09125	3.5
283.09708	2.5
286.08313	7.0
287.09952	1.5
287.13983	2.2
297.12396	8.4
301.10718	44.4
302.11398	9.5
315.09744	3.8
315.13370	39.4
318.11020	5.3
333.14380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1181
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
52.92080	2.5
55.01871	5.5
55.05525	2.8
56.96567	8.7
57.03421	6.0
59.63215	2.4
61.02925	7.4
65.03930	8.8
67.45547	2.6
68.99790	4.7
69.03439	21.2
70.06596	3.3
71.04990	3.0
71.55016	3.9
72.08183	3.8
74.01797	2.6
74.50264	2.4
81.03419	7.0
83.04964	8.5
84.04504	5.6
84.08170	13.7
85.02906	43.4
86.03274	3.1
86.09712	4.9
91.05508	4.1
95.04975	2.8
97.02920	15.9
98.97617	8.3
98.98470	48.2
100.98895	3.7
107.04939	4.2
107.08548	3.6
108.08161	3.5
109.02871	6.3
111.04437	36.8
116.98660	4.2
119.04974	2.8
121.03983	6.9
123.04547	5.4
123.05553	18.8
127.03925	9.6
128.98622	3.3
132.08093	3.1
136.06190	16.6
137.06010	5.9
139.03911	100.0
145.04927	3.2
147.04440	8.6
149.05923	3.1
150.16167	3.4
151.03767	3.4
153.05450	4.1
156.04170	5.4
159.09152	8.5
163.03909	5.3
165.05502	9.3
170.06061	8.2
170.08142	4.4
171.06517	83.1
171.08669	3.5
176.98918	4.1
177.05426	3.5
187.02074	3.8
231.25000	3.1
235.76447	3.3
256.09662	4.1
287.11093	4.6
333.05240	2.9
333.11417	17.8
333.15051	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0972
Annotation	3'-Deoxydryopteric acid
Peak:m/z	Relative Intensity
53.03935	0.6
55.01856	0.7
55.05509	0.6
56.96551	0.5
57.02050	0.3
66.04712	0.5
67.05510	1.1
68.99783	0.9
69.03429	0.8
69.07063	0.6
69.49513	2.7
79.05498	1.6
81.03413	0.7
81.07072	2.1
83.04981	0.8
91.05472	2.0
93.07031	0.8
94.04176	2.2
95.04974	1.3
95.08586	0.9
97.02866	0.6
98.97585	1.0
98.98468	2.3
105.03411	1.7
105.07003	0.6
107.04955	1.0
107.08578	0.4
109.02879	1.4
109.06522	1.4
110.06138	0.4
111.04485	0.8
121.06533	0.6
121.10167	0.8
122.03654	7.4
122.06076	0.6
123.04444	7.4
124.01563	0.6
125.06006	0.5
133.02853	7.5
135.04431	0.5
135.11736	0.4
137.05983	100.0
141.05478	1.1
147.04454	0.6
150.03171	0.8
151.03876	0.6
152.01060	1.2
153.05473	1.1
153.12773	1.0
161.02350	13.5
162.05473	0.4
165.05502	2.3
166.02626	1.1
167.03406	23.0
167.07091	1.0
167.59158	0.3
170.02122	0.8
177.05402	0.4
177.75508	0.4
181.04991	1.4
182.11549	0.4
185.04332	0.4
193.04977	3.8
199.07608	0.5
209.04546	0.5
212.04799	0.6
214.08301	0.4
215.07098	0.4
227.07126	2.3
229.04936	1.1
229.09758	0.7
240.04091	0.5
241.05006	0.7
243.06543	0.5
245.13057	0.4
249.75690	0.4
255.06529	5.1
256.07303	1.1
257.04337	0.7
259.09671	19.2
271.06027	1.2
272.06778	3.1
273.07544	0.5
273.12076	0.4
283.06046	0.6
286.08289	1.9
287.09152	22.9
288.09665	0.8
299.05634	0.5
315.08630	5.8
315.12634	0.7
321.21835	0.4
333.05978	0.6
333.09775	4.3
333.14404	1.9
333.20605	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1343
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03952	1.6
55.01874	0.9
56.96543	0.9
57.03430	1.8
59.10944	0.7
61.02917	2.7
65.03957	1.6
67.05493	3.6
69.03439	7.8
71.54750	0.8
73.02908	1.6
81.03428	2.4
81.57623	0.8
84.08105	0.9
85.02911	8.3
87.04450	2.1
91.05483	0.9
93.05775	0.8
96.08135	1.0
97.02884	4.8
98.97599	1.2
106.06580	5.1
108.08125	100.0
109.02899	1.0
112.92932	0.8
123.06792	4.1
124.07600	17.9
124.52544	0.8
126.12599	0.8
127.03913	1.5
134.06021	11.6
136.07588	12.9
150.05554	0.9
152.07076	74.3
154.08649	1.7
161.04626	1.5
170.05095	1.2
170.08144	12.1
170.26892	0.9
213.57240	0.8
242.07555	1.0
251.07884	1.3
314.12354	41.9
321.10352	1.0
332.13437	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0969
Annotation	Sulochrin
Peak:m/z	Relative Intensity
53.03925	0.4
55.01860	0.6
55.05510	0.3
57.07088	0.3
65.03930	0.9
65.73328	0.3
67.01859	0.4
67.05502	2.5
68.91228	0.3
68.99789	3.9
69.03429	0.6
69.07054	0.5
70.33947	0.3
79.05482	1.0
81.02982	0.4
81.03423	5.2
81.07044	0.7
83.04988	5.8
91.05486	1.7
94.04190	0.3
95.01329	0.6
95.04980	6.3
97.02895	0.4
98.20729	0.7
98.98478	1.0
105.07020	0.5
107.04954	1.2
107.08585	0.4
109.02888	1.3
109.06541	0.3
109.10143	0.5
110.09695	0.4
111.00819	0.3
111.04440	1.0
119.04958	2.6
121.02857	0.5
121.06501	0.6
122.03646	1.9
123.04436	39.1
125.05967	0.7
125.40125	0.4
126.42042	0.4
133.02849	1.8
133.06493	1.4
135.04466	0.5
137.05981	7.7
138.38132	0.4
139.03908	6.3
147.04402	2.1
149.02354	3.4
151.03911	100.0
152.04276	0.9
153.01833	3.8
153.05437	0.6
154.06262	3.6
155.07037	1.4
157.06517	0.4
157.10246	0.4
161.05975	2.6
163.03918	3.1
165.05487	11.2
167.07053	28.4
175.07532	0.4
179.03415	15.2
179.07019	4.3
180.07832	8.4
181.04903	0.4
183.02911	0.4
183.06503	0.6
184.05194	0.6
185.05978	0.5
189.05428	0.5
203.07039	0.9
212.04665	0.6
213.05539	1.7
217.08565	0.6
227.07164	0.8
231.06465	0.7
241.04990	0.9
245.08083	4.3
250.82623	0.4
273.07660	2.6
274.11591	0.4
301.07239	0.4
305.10196	6.8
306.10641	0.5
315.08578	1.9
333.09711	23.4
333.20535	0.5
334.10181	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	9.7
57.03442	7.4
57.07082	91.9
67.05231	2.3
67.05514	23.6
69.07085	13.2
70.06590	9.4
71.06927	3.1
71.08640	67.3
81.07066	37.7
83.04974	2.5
83.08631	26.7
85.10192	40.2
88.07624	9.3
89.06012	2.3
95.08616	47.9
97.10189	11.8
98.21516	5.2
98.98476	100.0
99.11761	2.1
102.09206	2.8
106.08649	5.6
109.10175	27.1
119.97992	2.3
122.06840	2.3
123.00051	2.3
123.11717	8.3
137.13271	4.0
156.73338	2.3
174.99199	3.5
176.98950	7.4
228.98503	2.5
239.23734	14.4
257.24829	7.3
310.58554	2.2
313.27429	53.4
313.32938	5.3
331.34024	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	331.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.3
57.03423	8.1
57.07078	100.0
67.05505	21.7
69.07060	15.3
69.94373	4.2
69.94785	6.5
70.06572	6.4
71.08634	71.9
73.14690	1.9
75.04478	3.4
79.05497	2.3
81.07054	35.4
83.08625	25.7
85.06577	2.2
85.10183	31.8
88.07619	11.0
89.06026	2.4
95.08613	49.1
97.10172	10.2
98.98463	63.5
99.11707	3.3
102.08045	2.2
106.08670	4.8
109.10152	26.9
111.11722	2.7
123.11719	13.6
127.03863	2.2
130.61494	2.2
137.13240	7.0
151.14737	3.2
157.06369	2.1
165.16324	2.9
176.98918	4.0
194.12923	2.2
202.65295	2.0
221.22650	4.1
239.23637	18.4
257.24695	5.3
297.47867	2.2
313.27417	50.2
313.33072	5.7
317.66348	2.2
331.07715	3.3
331.18893	3.5
331.34015	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	331.2269
Annotation	Cannabielsoin
Peak:m/z	Relative Intensity
53.00306	0.6
53.03940	1.6
53.88932	0.5
55.01872	2.5
55.05273	0.7
55.05516	10.6
57.03438	0.8
57.07085	2.5
57.07308	0.4
67.05188	0.5
67.05512	6.6
68.99795	4.3
69.03418	1.2
69.07074	16.4
71.04968	0.6
71.08627	2.0
72.93156	0.4
73.17241	0.4
79.05502	15.1
81.03414	0.7
81.07063	25.6
83.04979	1.6
83.08628	5.4
85.10178	0.8
89.46195	0.5
91.05483	4.4
93.07037	7.4
95.04974	2.3
95.08607	7.1
96.00308	0.4
97.02911	3.1
97.06535	3.6
97.10174	2.1
98.20717	1.4
98.98473	17.5
105.07045	4.3
107.04954	6.7
107.08614	4.2
109.06529	21.8
109.10171	2.5
111.04440	3.7
111.08121	1.2
111.11710	1.6
113.06000	0.6
117.07005	1.4
119.08626	2.3
121.02862	1.8
121.06522	3.4
121.10133	4.2
123.08102	3.1
123.11716	0.5
125.06004	6.1
127.03915	1.6
131.08597	2.7
133.06500	1.3
133.10127	1.1
135.04427	12.1
135.08040	2.6
135.11671	1.7
137.09608	1.2
139.07545	2.9
145.06418	0.6
145.10161	2.6
147.08020	1.2
147.11693	0.8
149.02356	0.8
149.06038	0.8
149.09628	1.6
151.03871	2.1
151.07530	1.6
151.11113	0.7
153.05478	16.1
153.09093	1.8
157.10130	0.7
159.08078	1.4
159.11703	1.2
160.46988	0.5
161.09624	0.5
161.13301	0.6
162.57755	0.5
163.03906	2.1
163.07538	2.2
163.14830	1.8
165.09123	0.8
167.03424	1.3
167.10641	1.1
171.11682	0.7
173.09665	0.7
174.99203	0.8
175.07626	0.8
176.98895	1.1
177.05519	1.7
177.09081	1.9
177.16351	0.7
185.13348	0.8
187.07474	0.6
187.11189	0.6
187.14882	1.1
191.07027	1.0
193.08640	1.1
195.17447	0.9
205.08611	10.8
205.15860	2.5
211.14896	0.6
215.10631	0.8
223.16943	14.3
226.82019	0.5
229.15877	0.7
229.71811	0.6
256.69009	0.5
257.22659	0.5
275.16400	1.5
285.22128	2.0
287.23709	0.9
303.23166	1.3
313.21722	1.3
313.27557	0.9
331.22690	100.0
332.23022	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1544
Annotation	Excavatin C
Peak:m/z	Relative Intensity
51.23019	0.8
53.03951	0.8
54.46925	0.6
55.05515	3.7
56.96550	1.0
67.05502	2.4
69.03430	1.1
69.07075	22.3
69.30338	5.9
77.03915	1.7
79.05476	1.7
81.07070	2.3
83.04972	1.4
83.08622	1.0
85.02909	1.9
91.05491	2.3
93.07040	2.1
95.04988	1.7
95.08627	2.8
97.10162	1.5
98.98476	50.8
99.04455	0.8
100.98925	1.1
105.03396	3.1
105.07049	3.1
107.04946	2.2
107.08619	4.0
109.06537	1.6
111.04440	3.1
116.99518	1.0
117.19056	0.6
118.17840	0.7
119.08609	1.3
120.08040	0.8
121.02869	1.8
121.06547	0.7
123.04443	100.0
123.08067	2.2
125.06013	1.5
125.09641	1.8
127.03960	0.8
129.06982	0.6
131.08571	2.3
133.06497	2.8
135.04456	5.0
137.05995	0.8
139.03915	7.6
141.05458	3.9
141.07077	0.9
143.04941	1.5
143.08601	0.6
145.10149	1.8
147.04433	3.1
148.94333	0.7
149.06038	1.1
149.09665	2.4
151.07565	8.0
153.05495	24.3
153.06812	1.5
157.10062	0.7
161.06000	1.7
163.11227	1.3
165.05513	1.5
165.06889	0.8
167.07043	1.6
167.10683	8.5
171.04539	0.7
172.94281	0.7
173.06053	1.5
173.09656	5.5
174.99257	2.6
175.07602	1.0
176.74316	0.7
176.98930	3.9
181.06412	0.8
181.12282	1.0
183.08060	1.5
187.07483	1.7
189.05495	9.1
191.10683	11.2
197.06044	1.0
199.07497	1.1
201.05521	0.8
201.09160	0.7
209.11749	34.9
211.07542	2.4
215.07066	1.7
217.08562	2.1
221.11786	1.8
227.06981	1.3
229.08717	1.0
233.04454	1.0
239.07057	3.3
242.24835	0.6
243.06599	6.0
244.07355	1.6
245.08031	5.2
257.06036	0.6
257.08121	15.5
285.14844	1.0
295.13489	3.7
313.14371	98.0
314.14636	1.7
316.05881	1.2
331.08093	2.4
331.15454	17.1
331.22049	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1544
Annotation	Excavatin C
Peak:m/z	Relative Intensity
50.01588	0.6
51.02386	0.5
53.03936	0.6
55.01875	1.3
55.05516	3.3
55.74074	0.4
56.96572	0.5
57.03436	0.4
57.07076	0.4
64.33842	0.4
65.03934	0.6
67.01872	0.8
67.05507	2.9
68.99792	2.1
69.03435	1.6
69.07074	24.4
69.34136	3.6
71.01339	0.7
71.04994	0.8
75.43214	0.4
77.03939	1.6
78.79338	0.4
79.05496	1.9
81.03430	0.6
81.07078	2.1
83.04985	1.0
83.08634	0.9
85.02917	1.6
87.39575	0.4
91.05496	2.5
93.07059	1.8
95.04984	1.3
95.08625	3.3
97.02923	0.7
97.06524	0.8
97.10172	2.0
98.20795	1.0
98.98476	31.8
99.04460	0.7
100.98906	1.1
103.73751	0.4
105.03421	2.8
105.07053	3.6
107.04952	2.6
107.08603	6.0
109.06519	1.6
109.10149	1.1
111.04457	3.2
113.02376	0.9
113.06032	0.5
115.05460	0.6
116.99508	0.6
117.07064	0.5
119.04943	2.1
119.08595	1.3
121.02889	1.9
121.06525	0.6
121.10162	1.5
122.32269	0.4
123.04440	98.3
123.08080	1.9
125.06017	1.2
125.09644	2.3
127.03918	0.8
129.07014	0.6
131.04938	1.0
131.08578	1.9
133.02881	0.7
133.06517	2.8
133.10118	1.1
135.04433	6.1
137.05984	1.1
139.03899	7.0
139.07550	1.4
139.11195	0.6
141.05458	3.8
141.06499	0.4
141.07027	0.8
143.04951	1.0
143.08560	1.0
145.06525	0.7
145.10168	1.6
146.03682	0.6
147.04395	4.4
147.08020	0.6
149.02361	7.7
149.06024	1.2
149.09636	3.1
151.04002	0.9
151.07556	7.5
151.11324	0.5
153.01843	17.9
153.05473	24.0
153.06670	0.8
155.08556	0.7
157.06520	0.8
159.04462	0.7
161.05969	2.2
163.03935	0.6
163.07556	0.6
163.11200	1.6
164.04691	3.4
165.05521	1.7
165.07054	1.2
167.03493	0.5
167.07056	1.9
167.08455	0.4
167.10686	8.2
169.06523	1.0
171.04457	0.7
173.06009	1.2
173.09616	5.1
174.99289	1.2
175.07578	1.0
176.98953	2.8
177.09189	0.6
177.12973	0.5
179.03413	0.7
181.06506	1.4
181.12259	0.7
183.08061	1.8
185.06021	0.6
186.03165	1.0
187.07608	1.3
189.05478	9.3
189.09085	0.5
191.10683	11.9
193.04955	0.9
193.12151	0.5
195.07985	0.5
197.06056	1.6
199.07590	1.2
200.04691	2.7
201.05515	1.0
201.09090	1.1
203.03406	1.6
205.05031	1.6
209.11742	40.4
210.12112	0.5
211.07533	2.6
213.05515	1.2
215.03638	0.7
215.07065	2.8
216.07787	0.6
217.05080	0.6
217.08539	2.2
221.11729	2.0
225.05524	1.1
225.09045	0.5
227.03400	0.6
227.07108	0.7
228.04201	11.4
229.04895	1.2
229.08655	1.5
231.02930	4.0
233.04504	0.9
239.03464	1.1
239.07117	2.1
240.04282	0.7
241.05025	2.0
242.05753	2.1
243.06572	7.3
244.07353	0.7
245.04445	1.8
245.08125	5.5
249.12892	0.7
253.05026	1.6
255.02991	1.0
256.03677	6.6
257.04254	0.8
257.05057	0.8
257.08099	15.8
259.05899	0.6
267.14246	0.5
269.04401	0.8
270.05319	1.9
271.06036	10.1
273.04016	4.5
275.09100	0.9
283.02432	0.6
284.03149	3.8
285.03995	2.0
285.14841	0.9
288.98129	0.5
295.13303	2.9
298.04797	1.9
299.05511	7.8
301.03445	19.7
303.08469	0.9
313.14355	100.0
314.14810	1.0
316.05774	11.1
331.08145	73.6
331.15167	17.6
332.08588	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
55.05514	0.7
56.05025	0.8
56.96558	1.3
63.74405	0.4
65.03944	0.9
65.58317	0.5
67.05509	2.9
68.05030	1.2
68.80621	0.5
69.03430	1.4
69.07074	4.7
70.06586	2.2
71.12212	1.1
72.08147	0.9
73.02937	0.7
73.63358	0.5
74.06071	0.6
79.05492	1.7
80.05006	1.7
81.03417	0.9
81.07066	1.4
84.04513	1.1
84.08152	2.3
85.02893	1.7
86.09691	1.8
89.03895	0.8
91.05497	1.4
94.06577	15.3
95.04997	2.8
96.04481	0.5
97.02885	0.7
97.06518	1.1
98.06100	0.6
98.97636	2.1
98.98475	48.3
100.98893	0.6
104.07053	0.8
106.06548	0.6
107.04948	0.7
107.89223	0.5
108.08118	1.8
109.06536	0.5
110.06072	4.8
112.07613	1.9
116.04993	3.4
116.98685	0.9
116.99493	1.1
118.06589	1.1
119.04951	0.8
119.08548	0.6
120.04469	2.1
120.08112	1.0
121.02956	0.5
122.06037	28.4
123.04462	2.5
124.07608	1.0
126.78284	0.6
127.03905	0.9
129.06488	0.7
129.10226	0.9
130.06520	1.0
132.04440	0.9
134.05995	1.0
136.07468	0.7
137.06018	0.7
140.07076	39.0
141.07849	2.9
144.04448	8.8
146.06026	15.5
147.04539	0.6
147.06821	0.8
148.03909	1.2
148.07596	7.0
151.03957	1.3
154.08691	0.8
157.07576	0.8
158.99643	0.6
162.05501	5.0
163.03918	1.0
165.05446	0.8
169.04987	2.1
172.03944	26.8
173.12842	1.0
174.05569	1.7
174.99207	2.6
176.98959	3.8
177.00313	0.8
181.04919	1.0
190.05006	100.0
191.05682	1.1
192.06578	9.0
193.04956	1.4
195.02963	1.6
207.06255	0.6
211.06006	1.7
219.10521	0.5
223.02594	0.6
229.02580	1.5
229.04984	0.5
235.06033	1.5
237.02710	0.7
242.11763	0.7
247.06123	1.0
259.06058	0.8
267.11328	0.9
270.11469	0.6
274.54361	1.0
286.10684	1.9
313.11865	4.2
321.01904	0.6
331.08469	0.9
331.13156	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	331.0814
Annotation	5,6,4'-Trihydroxy-7,3'-dimethoxyflavone
Peak:m/z	Relative Intensity
54.70095	0.2
55.05496	0.4
56.96552	0.7
57.07090	0.2
67.05499	0.4
68.99790	0.5
69.03409	0.2
69.81229	0.5
69.81625	0.4
79.05462	0.4
81.07051	0.6
83.04989	0.3
85.02888	0.5
95.04966	0.3
95.08596	0.5
96.02079	0.4
98.20769	0.2
98.97542	0.5
98.97727	0.3
98.98468	10.4
100.04939	0.2
105.03382	0.7
107.04944	0.4
107.08585	0.5
111.04455	1.9
123.00809	0.5
123.04454	0.3
129.48488	0.2
133.02875	0.6
133.10057	0.2
134.03621	0.4
135.04408	3.6
135.11691	0.2
137.02278	0.3
137.05994	0.7
139.03908	1.7
145.10167	0.2
147.97992	0.2
149.02365	0.6
149.13353	0.2
150.03137	3.6
151.03874	0.9
152.01048	1.1
153.01852	0.5
153.05626	0.3
155.04912	0.3
158.03593	0.3
159.07941	0.2
162.03107	0.4
163.03850	0.3
164.04689	0.8
165.05487	0.4
165.06956	0.3
166.02628	0.5
167.03407	16.5
169.01300	0.5
172.05194	0.5
174.99205	0.4
175.03951	0.3
176.98903	0.6
177.01949	0.4
177.05437	1.0
179.03400	0.8
183.04388	0.6
184.03651	1.3
184.05144	0.4
186.03203	0.3
187.07539	0.4
190.06264	0.6
191.03416	3.9
194.02145	0.4
197.05971	0.3
200.04695	2.2
201.05479	0.7
203.03529	0.3
204.04124	0.3
205.05014	1.3
211.03894	0.7
212.04745	0.6
213.05594	0.3
214.06288	0.3
215.07114	0.8
217.04976	4.9
218.05760	2.3
219.06535	6.7
220.06932	0.3
223.06062	0.4
227.07104	1.0
228.01971	0.5
228.04175	7.4
229.04979	1.1
231.02853	0.3
231.06494	0.5
239.03474	0.6
240.04219	0.3
241.04938	0.4
242.05766	1.8
243.06549	13.3
244.07240	0.5
245.04460	2.2
246.05238	0.8
247.06015	2.0
255.02896	0.4
255.06783	0.3
256.03729	1.7
257.04410	0.4
258.05255	0.3
259.06067	0.3
261.07578	1.3
267.02914	0.9
267.05450	0.6
270.05222	1.9
271.06018	12.7
272.06610	0.4
273.04025	1.2
275.09213	1.1
283.02377	0.3
283.06061	0.2
284.03098	1.2
285.03772	0.4
285.06717	1.5
286.04648	0.3
287.05505	1.8
288.06125	0.5
297.11926	0.2
298.04749	1.6
299.05557	4.7
300.05875	0.3
301.03552	1.3
302.04294	0.3
303.08212	0.9
313.03476	0.8
313.06906	0.3
313.11844	0.3
315.05005	7.5
316.05783	15.2
317.06033	0.3
331.08127	100.0
332.08481	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0817
Annotation	5,6,4'-Trihydroxy-7,3'-dimethoxyflavone
Peak:m/z	Relative Intensity
51.02368	0.2
53.26912	0.2
54.18949	0.2
55.01867	0.3
55.05513	0.3
56.96574	0.5
59.76585	0.2
60.04531	0.2
66.64635	0.2
67.05486	0.5
68.86503	0.2
68.99795	0.6
69.07080	0.2
71.04983	0.2
71.54897	0.2
71.55357	0.3
79.05498	0.2
79.63432	0.2
81.03433	0.4
81.07047	0.6
83.04976	0.2
85.02905	0.3
91.05484	0.5
93.07033	0.5
93.50362	0.2
95.04989	0.3
95.08601	0.4
96.02091	0.5
98.97641	0.5
98.98475	12.6
100.27782	0.2
104.97163	0.2
105.03397	0.8
105.07027	0.3
107.04956	0.5
107.08615	0.4
109.06501	0.2
109.10133	0.3
111.04449	2.0
116.99480	0.3
119.08582	0.3
120.02085	0.2
121.06541	0.2
123.00775	0.4
123.04453	0.3
123.11753	0.2
133.02859	0.9
133.10097	0.2
134.03627	0.5
135.04440	3.3
137.05977	0.8
138.03151	0.2
139.03917	2.0
144.05621	0.2
147.11713	0.2
149.02361	0.5
150.03148	3.9
151.03912	0.9
152.01036	1.4
153.01924	0.4
153.05460	0.2
155.04927	0.4
158.03543	0.3
159.85583	0.2
162.03162	0.5
163.03954	0.3
164.04684	0.9
165.05460	0.2
166.02608	0.5
167.03416	17.0
169.01331	0.7
169.06467	0.2
172.05232	0.7
174.99179	0.4
175.03883	0.4
176.01100	0.3
176.98953	1.0
177.01973	0.2
177.05508	0.8
179.03322	0.9
181.06384	0.2
183.04504	0.6
184.03691	1.7
184.05109	0.3
186.03093	0.5
187.07574	0.4
190.06241	0.6
191.03432	4.2
194.02232	0.2
200.04715	2.2
201.05447	0.6
202.02658	0.3
203.03500	0.3
204.04243	0.4
205.05003	1.3
211.03954	0.5
212.04713	0.9
213.05458	0.4
214.06320	0.2
215.07053	0.6
217.04988	5.5
218.05731	3.2
219.06538	6.8
223.06062	0.4
227.03506	0.4
227.07091	0.9
228.04198	9.1
229.05009	1.4
230.05734	0.4
231.02922	0.2
231.06554	0.6
239.03391	0.5
241.05048	0.3
242.05711	1.7
243.06561	14.5
244.07201	0.3
245.04491	2.1
246.05261	0.6
247.06058	1.7
252.99927	0.3
255.03004	0.4
255.06471	0.4
256.03680	2.2
257.04340	0.5
258.05270	0.5
259.06052	0.3
261.07635	0.7
267.02911	0.7
267.05484	0.7
270.05286	1.8
271.06036	12.9
272.06656	0.4
273.04092	1.0
275.09253	1.5
283.02527	0.4
284.03308	1.5
285.03687	0.3
285.06732	1.8
287.05539	1.8
288.06293	0.6
292.05667	0.2
298.04666	1.7
299.05502	4.6
299.08994	0.3
301.03561	1.3
302.04169	0.4
303.08179	0.8
313.03387	0.9
313.07034	0.5
313.11679	0.3
313.15097	0.2
315.04999	6.5
316.05801	15.4
331.08145	100.0
331.67685	0.3
332.08438	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0815
Annotation	Dillenetin
Peak:m/z	Relative Intensity
55.01813	0.5
55.05457	0.7
55.09265	0.4
56.96486	1.4
57.03387	0.5
63.71417	0.4
67.05437	0.9
68.99729	1.0
69.03374	0.6
69.06989	1.5
69.87853	2.1
79.05413	0.9
79.05853	0.4
80.85703	0.7
80.86115	0.5
81.06963	1.6
83.08553	0.6
83.74093	0.5
91.05429	0.7
93.06946	0.8
95.08536	1.0
98.21365	0.6
98.98476	43.9
98.99074	2.3
98.99354	1.5
100.98806	1.5
105.03330	0.7
105.06945	1.0
107.04913	0.6
107.08538	0.9
109.10114	0.6
116.99389	1.4
117.05959	0.4
119.08497	0.5
121.10090	0.6
123.04331	1.9
127.03879	1.0
133.02802	1.1
134.03601	0.8
135.04372	0.6
137.05870	0.9
139.00282	0.5
140.01013	0.9
147.04350	0.8
148.05205	2.2
149.05891	0.6
151.03799	0.9
151.07352	0.6
153.01752	0.7
153.05495	0.5
165.01828	0.5
166.99716	1.0
168.00555	2.3
169.01260	1.5
174.99110	1.8
175.03882	1.1
176.98959	3.5
183.75996	0.5
185.00792	1.6
186.01515	1.2
194.01952	0.8
195.02887	0.4
198.04121	0.4
199.03928	0.5
200.04684	1.1
206.80556	0.5
207.06610	0.6
209.11719	1.0
211.07521	0.5
214.06201	0.9
217.04933	0.6
226.53769	0.5
228.04163	0.8
241.05209	0.8
242.05658	1.0
245.04497	16.0
252.99648	0.5
255.02931	1.2
256.03748	2.2
259.06012	0.6
260.06757	0.6
267.09238	0.5
269.04437	2.1
270.05270	2.4
271.06039	1.5
273.03958	15.1
284.03156	3.8
285.03949	1.1
285.07263	0.6
285.10110	1.0
287.05566	3.4
288.06433	0.7
297.04037	0.5
298.04749	3.5
299.02191	0.5
299.05429	2.9
301.03473	12.7
313.14352	1.8
315.05002	6.6
316.05804	59.0
317.05963	0.6
331.08160	100.0
331.11526	4.8
332.08490	1.1
349.16919	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0812
Annotation	33429-83-3
Peak:m/z	Relative Intensity
68.99790	1.1
69.07072	2.2
70.09401	1.9
70.92033	0.4
76.39531	0.4
81.66558	0.4
84.54164	0.4
91.05471	1.2
95.08620	0.5
97.10171	0.4
98.98472	2.3
105.03428	0.4
107.04936	0.5
107.08614	0.7
119.04961	2.5
121.02910	0.8
123.03569	0.8
123.04426	11.1
129.29495	0.4
132.11325	0.4
135.04431	0.9
139.03889	1.1
145.02899	0.6
145.06531	0.5
147.04425	1.1
149.02357	8.6
151.07561	0.9
153.01836	24.6
153.05432	4.1
161.06017	0.4
163.03911	0.5
164.04688	4.1
167.10710	0.9
170.02119	0.4
173.09573	0.6
179.03410	0.7
186.03125	1.4
189.05460	1.3
191.03433	0.5
191.10652	1.2
197.05963	0.6
200.04694	2.5
203.03374	2.2
205.04955	1.1
209.11714	4.0
209.76385	0.4
211.03926	0.6
213.05423	1.4
215.07031	0.8
217.05017	1.0
225.05411	0.5
227.03395	1.6
228.04178	12.2
229.04892	0.8
231.02898	5.7
239.03360	1.5
240.04160	0.9
241.05008	2.5
242.05800	2.1
243.06514	3.1
245.04462	1.3
245.08089	0.8
253.04936	1.8
256.03671	8.9
257.08112	1.5
269.04340	0.6
270.05273	2.1
271.06039	12.9
273.03937	6.3
275.09174	0.8
283.02460	0.5
284.03177	5.4
285.03900	2.0
287.05585	0.5
288.06195	0.7
298.04651	1.3
299.02362	0.8
299.05508	9.8
301.03433	26.3
303.08743	0.7
313.14322	9.1
316.01984	0.7
316.05786	14.9
331.08124	100.0
332.08441	2.0
340.71582	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0815
Annotation	8,3',4'-Trihydroxy-5,7-dimethoxy-4-phenylcoumarin
Peak:m/z	Relative Intensity
52.33810	0.9
61.31675	0.9
65.03939	1.2
67.05483	2.0
69.13462	0.9
70.66724	1.9
70.67085	2.2
81.07079	1.5
93.10793	0.8
95.04971	2.0
98.98479	14.5
99.39536	1.1
111.93736	1.1
123.04449	7.7
133.02893	1.8
134.45229	0.9
137.06020	4.6
143.04845	0.9
144.05725	2.1
145.69495	1.0
149.02399	1.2
151.03915	15.1
151.05032	1.1
152.01053	5.7
153.05449	2.5
155.04935	3.7
163.03876	4.6
164.04681	1.6
165.05489	1.0
167.03406	14.5
170.02051	1.2
171.04424	2.4
172.05214	4.1
179.03433	22.6
183.04460	6.9
185.05994	1.2
187.07535	2.3
190.89806	1.0
199.03920	5.4
200.04721	12.3
211.03949	10.4
215.07100	5.2
216.04247	1.3
217.04993	5.5
227.03410	4.1
228.04198	25.5
229.04967	29.3
239.03395	2.3
242.05785	3.4
243.06557	51.2
244.03757	2.9
244.07024	1.1
245.04468	12.4
256.01175	1.1
256.03702	32.9
257.04413	4.2
257.08420	1.4
259.06049	33.2
260.06879	6.7
267.02853	1.4
270.05209	1.3
271.06036	77.2
272.03284	2.2
272.06848	4.5
273.03937	5.1
275.09174	100.0
284.03226	1.6
285.07510	6.3
287.05460	7.0
288.06342	5.2
299.05588	12.4
302.07913	16.0
303.08670	41.1
313.07028	4.7
316.05658	1.3
331.08148	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	331.0815
Annotation	8,3',4'-Trihydroxy-5,7-dimethoxy-4-phenylcoumarin
Peak:m/z	Relative Intensity
51.51264	0.4
54.40751	0.4
55.01864	0.5
55.05510	0.9
56.55241	0.5
56.96557	0.9
59.57411	0.3
65.03940	0.8
67.05497	1.2
67.58174	0.4
68.99780	0.6
69.03414	0.6
69.07082	0.7
70.19275	1.8
71.04994	0.6
73.02921	0.7
79.05488	1.3
81.03386	0.4
81.07060	2.2
85.02912	0.8
91.05486	1.7
93.07037	1.0
94.04184	1.3
95.04987	0.8
95.08630	0.7
97.02904	0.7
97.06534	0.5
98.20889	0.4
98.97616	1.1
98.98476	27.2
100.98870	0.7
105.07034	1.2
107.04936	1.7
107.08609	0.8
109.06500	2.0
109.10152	1.0
111.08180	0.4
115.05468	0.6
116.98653	0.7
116.99486	0.4
117.06989	0.5
119.08572	0.7
121.10171	0.5
122.03656	7.9
123.04437	1.7
125.06023	0.5
127.03939	0.8
131.00162	0.4
133.10088	0.6
135.17137	0.5
137.05989	100.0
138.06320	0.6
139.03932	4.9
144.05676	0.8
151.03954	0.8
152.01054	0.8
153.05479	2.6
155.04932	1.0
159.34901	0.5
161.09647	0.7
165.06949	0.4
167.03374	1.6
167.07047	0.6
169.06540	1.3
172.05179	0.7
173.06227	0.6
174.99237	1.0
175.07610	0.7
176.98981	2.4
177.05463	1.0
179.03435	0.9
183.04451	1.0
185.05925	0.5
187.07466	0.5
197.06073	0.6
199.03983	1.2
200.04710	2.1
203.03456	0.7
203.50027	0.4
211.03868	1.3
212.04684	0.4
213.05424	0.9
214.06192	0.6
215.07018	0.6
217.04987	0.8
227.03436	1.1
228.04178	6.8
229.05084	2.4
232.43604	0.5
240.14865	0.4
241.04953	0.5
242.05627	0.8
243.06569	8.0
244.03745	0.6
245.04469	1.6
250.09756	0.7
254.01851	0.4
255.42200	0.4
256.03690	8.5
257.04498	1.4
257.08105	0.8
259.06104	2.9
260.06601	0.5
270.05179	0.6
271.03067	1.0
271.06024	18.1
272.06665	1.3
273.03922	3.7
273.06830	0.6
275.09164	40.9
285.07632	0.7
287.05542	1.6
288.06339	4.4
299.05521	1.4
301.07068	0.5
302.07864	1.9
303.08649	36.8
313.07022	0.6
313.14383	1.1
331.07959	7.5
331.11908	2.5
331.15292	0.7
331.18881	0.5
331.22864	0.9
333.52701	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76434	4.6
69.03432	11.6
69.58949	31.5
70.06590	8.7
75.69881	5.0
81.03403	7.4
85.02917	17.9
91.55578	4.5
92.64820	4.3
93.15293	5.0
97.02892	8.4
98.21474	11.1
98.98465	21.1
101.00883	5.7
108.08118	21.5
109.02885	5.1
109.15724	5.3
112.89599	12.2
116.98538	4.6
118.92098	9.1
119.01984	9.1
124.07534	8.0
127.03945	8.5
136.07553	5.4
136.93159	29.5
152.07112	26.0
154.94177	43.2
170.78520	5.1
172.95294	42.4
173.03021	6.2
186.96860	4.9
190.96301	13.5
198.98576	9.9
203.03983	8.5
214.99905	7.5
221.03137	7.3
221.05185	7.5
228.97878	4.6
231.06982	4.7
235.06747	5.5
253.07581	6.4
280.60126	5.4
303.61551	4.5
314.08353	5.1
314.12326	13.2
331.01135	21.1
331.09851	100.0
331.13730	33.0
332.13321	11.2
349.02066	48.3
349.05829	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	330.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01868	1.5
55.05272	1.3
55.05517	20.0
56.96561	1.2
57.07071	0.9
57.14590	0.8
57.74326	0.9
59.05011	1.0
61.86506	1.0
64.49378	0.9
67.05510	10.1
69.03429	2.8
69.07071	6.5
69.72224	4.6
71.08634	2.5
74.93171	1.2
79.05514	5.7
81.03434	1.8
81.07062	7.5
83.04953	1.6
83.08630	13.9
87.04490	2.0
91.05482	3.2
93.07044	4.4
95.04981	1.4
95.08611	2.4
97.10176	25.5
98.98474	100.0
99.08097	3.7
100.98909	1.4
105.07036	2.0
107.08611	9.3
109.06511	1.6
109.10164	2.5
111.08067	1.1
116.99517	2.1
119.08635	1.1
121.10162	0.9
125.09639	25.6
126.12846	1.2
135.08041	2.3
135.11673	2.1
143.10641	1.4
145.10178	0.9
151.11154	2.3
153.09082	1.7
161.13222	1.4
171.10178	3.5
174.99239	4.3
175.99548	1.6
176.98903	6.9
179.14351	1.8
185.99274	1.0
189.11223	42.6
193.57048	1.0
208.88414	1.0
211.16907	1.3
230.95100	1.3
248.95967	1.0
277.21616	20.1
295.22794	3.2
330.06955	1.7
330.29984	3.4
330.33615	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.7
55.05505	3.5
56.96565	2.4
57.03432	1.4
60.04530	81.8
60.31862	1.0
67.05178	1.1
67.05514	12.6
69.03409	1.3
69.07067	7.2
70.02929	2.9
70.71484	1.4
70.71826	2.1
74.06081	1.7
79.05495	9.2
81.03407	2.0
81.06587	1.6
81.07062	31.6
83.04977	2.1
83.08604	3.1
84.04483	1.9
85.02869	1.0
85.06525	2.6
88.03990	3.5
91.05492	10.0
93.07055	7.9
95.08614	7.0
95.96658	1.0
96.04482	2.9
96.08913	1.0
97.06501	3.0
98.97596	2.6
98.98472	61.7
99.08064	1.4
101.00874	1.4
102.05549	54.4
105.07042	13.4
107.08611	5.4
109.06524	2.7
109.10170	1.9
111.08074	1.5
116.99487	1.3
119.01916	2.5
119.08580	10.5
120.06586	100.0
120.08044	3.2
121.10154	7.3
121.88420	1.0
122.06013	1.2
123.08054	3.0
123.11714	10.5
124.04714	1.1
124.07568	1.5
127.07550	1.5
131.08514	1.3
133.10130	2.9
143.01860	1.9
147.11711	21.3
151.03931	1.0
155.01862	1.0
156.06554	2.0
159.11783	1.2
161.02974	1.9
165.12740	8.1
169.08563	1.9
174.99240	2.3
176.98967	2.6
193.12245	1.7
206.15392	5.7
208.05103	1.8
228.04059	2.1
229.04796	1.2
229.14380	1.9
234.14856	11.7
243.06462	1.9
252.15955	12.8
254.05629	1.4
256.03571	1.4
259.05789	1.3
266.17514	9.4
269.08066	2.5
271.06262	2.3
275.09128	2.7
280.15427	4.2
294.17026	34.2
298.16507	3.1
312.18051	50.2
314.03687	1.4
315.04553	4.1
315.08487	3.4
330.06906	12.7
330.10931	3.4
330.18799	2.2
331.08102	4.0
331.11716	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
56.96551	0.4
57.03432	0.3
60.04520	1.0
67.05490	0.4
69.03442	1.5
71.55878	0.4
79.05498	0.8
81.03420	0.7
81.07040	0.5
84.07563	0.2
85.02910	1.7
87.04466	0.3
91.05470	0.4
92.06267	0.3
93.05783	0.4
94.06582	1.0
95.08634	0.3
97.02876	0.7
98.97572	0.5
98.97744	0.4
98.98473	9.7
105.07018	1.9
106.06567	0.7
107.07339	4.0
116.99537	0.3
117.05753	0.5
119.01882	0.5
120.08073	0.3
121.06538	0.2
121.08940	0.3
122.09673	8.9
127.03944	0.3
130.06529	0.3
132.08063	0.5
135.06816	1.4
150.09149	100.0
151.09462	0.5
168.10222	5.5
174.99223	0.4
175.99661	0.3
177.05542	0.3
192.03477	0.3
243.55171	0.3
253.00044	0.3
257.04733	0.7
257.54874	0.6
258.05624	0.7
258.55698	0.6
300.05936	0.4
301.06931	0.5
309.07159	0.3
311.50565	0.3
330.07141	1.3
330.26434	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60069	0.4
55.01871	1.6
56.96551	1.0
58.99582	0.4
67.04259	5.3
67.22701	0.4
67.61491	0.5
70.06599	3.4
71.05291	0.8
72.04534	0.7
72.08155	0.4
74.00674	3.2
82.54335	0.4
84.04498	0.5
84.08140	0.8
85.02907	0.5
86.00668	0.9
86.09709	1.1
88.28185	0.4
90.05562	9.5
95.05002	0.5
98.98470	7.8
100.02212	100.0
101.02537	0.4
105.07017	0.5
109.31236	0.5
114.05513	0.6
116.07082	1.4
123.04445	1.5
124.03963	2.0
126.05507	1.2
127.03924	0.6
128.01718	0.6
129.04819	1.3
133.06499	2.1
138.05511	0.8
139.03937	1.5
144.06584	0.9
145.04297	0.9
146.02727	3.8
154.03230	5.3
157.04327	5.6
168.04770	0.5
170.02744	2.8
171.05913	1.6
172.04326	1.0
174.99255	0.6
179.00208	0.5
180.50333	0.4
182.02687	2.5
187.14374	0.8
189.06941	1.2
197.01193	0.7
198.07628	1.6
199.03809	0.3
199.05370	17.0
213.06947	26.0
217.06441	61.2
218.06776	0.6
233.02695	0.5
242.03371	0.7
312.10226	0.9
330.11221	24.0
345.28146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
56.96561	1.1
58.04828	0.4
61.30493	0.5
65.03962	0.9
67.05509	1.6
68.05036	2.5
69.07063	1.6
71.05017	0.5
79.05508	4.0
79.83012	0.5
80.04958	0.5
81.05788	1.2
81.07056	4.1
83.04954	0.8
83.08626	0.6
89.03933	1.7
91.05491	2.1
93.07073	1.5
94.06596	0.7
95.04955	1.1
95.08630	2.3
96.04496	0.6
96.08154	3.8
97.06551	1.0
98.20749	0.8
98.98474	96.7
100.11275	0.7
100.98895	1.1
105.07050	1.3
107.04948	1.2
107.08598	1.2
108.88916	0.5
109.10139	0.9
110.06044	1.6
113.11710	0.5
116.04988	8.9
116.99513	1.5
118.06525	0.8
119.04961	0.9
119.08595	1.1
121.06504	0.6
121.10162	1.0
123.04414	1.1
124.07603	63.5
124.67311	0.6
125.08392	2.3
133.10181	0.9
137.05998	5.3
138.09138	1.0
144.04457	15.2
145.10107	0.6
146.06020	9.5
147.11673	1.1
149.13326	0.5
152.25285	0.5
158.99614	0.7
162.05505	8.0
167.03493	0.5
172.03947	62.9
173.04314	0.7
174.05537	4.1
174.99245	8.0
176.98976	3.7
177.05479	0.9
178.08722	0.9
190.04802	0.5
190.21983	0.5
204.06577	100.0
205.07051	1.7
206.08144	14.1
207.10117	0.7
250.99966	0.7
252.99666	1.0
269.12729	1.3
282.01489	0.6
283.05969	0.7
297.03870	2.4
297.12354	1.1
300.06268	0.9
311.13638	1.7
314.04361	0.9
315.13458	3.9
329.06604	9.7
329.10440	1.2
329.14380	4.6
329.18692	0.9
329.24673	0.9
330.10773	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1386
Annotation	2,3,4,6,7-Pentamethoxyphenanthrene
Peak:m/z	Relative Intensity
55.05507	1.1
56.05019	0.6
67.79561	0.4
69.07064	0.6
70.08748	1.0
70.09152	0.8
71.05006	0.6
71.08637	0.8
79.05491	4.4
81.07062	25.1
84.08148	16.0
89.39441	0.5
90.61048	0.5
91.05466	1.1
93.07031	0.8
95.04973	0.9
95.08595	1.1
97.06546	1.0
97.68658	0.4
98.98472	100.0
99.08102	16.3
100.98891	1.0
103.05511	1.0
104.99300	0.5
105.07037	1.7
106.72958	0.4
109.06522	9.7
116.99538	1.1
118.04163	0.7
120.05706	0.6
121.06494	1.2
125.25256	0.5
130.08656	1.9
133.06500	8.0
135.04448	1.0
135.08044	5.7
137.02330	2.1
140.01106	1.0
145.08618	0.7
147.08110	0.5
149.06018	1.1
153.05481	0.7
161.05994	32.1
167.03430	0.9
168.36142	0.6
174.99243	7.0
175.11040	0.5
176.98874	3.2
177.05487	2.4
195.06557	9.4
213.07590	14.5
230.05742	0.5
252.99677	1.2
266.24823	2.3
285.09879	0.6
299.05612	0.7
301.07217	0.8
311.12872	1.8
329.03116	1.0
329.06732	4.5
329.10376	0.8
329.13791	11.4
329.21384	0.9
329.28033	3.4
330.03680	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0657
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
55.05504	0.3
59.37974	0.3
59.98090	0.3
67.05506	0.7
68.99783	0.4
70.06217	1.1
70.09650	0.3
73.27532	0.3
75.65784	0.3
81.07043	1.0
85.02931	0.3
91.05473	0.5
93.07082	0.5
94.87411	0.3
97.10202	0.5
98.21552	0.3
98.98473	33.1
99.08042	0.3
100.98888	0.3
116.99555	0.3
119.04959	0.6
121.06512	0.5
123.00801	1.0
123.04436	1.2
124.01563	0.5
133.02866	0.4
135.08041	0.4
137.02382	0.5
147.03125	0.3
147.04367	0.4
149.02315	0.4
151.03862	1.3
152.01042	0.6
153.01846	1.2
161.02341	5.1
161.05969	1.4
162.03131	54.4
163.03488	0.6
168.68356	0.3
170.02173	0.6
173.04774	0.3
174.99255	2.5
176.98949	0.9
179.03372	0.9
186.03151	1.6
189.01860	2.2
199.03902	0.4
200.04701	3.7
201.16693	0.3
203.03490	0.5
212.04631	1.0
213.05516	0.4
213.07539	0.4
216.04224	0.9
219.17552	0.3
219.81725	0.3
225.78258	0.3
227.03398	0.7
228.04178	15.0
229.05083	0.4
229.07486	0.6
230.02219	0.4
231.02858	0.9
239.03329	1.8
240.04176	5.4
241.04799	0.6
243.06558	0.9
244.03659	1.3
256.03690	11.2
257.04492	0.8
267.09042	0.4
268.03616	0.5
269.04425	0.5
271.03049	0.7
271.06018	11.4
273.07584	0.5
283.02484	0.7
284.03165	6.2
285.03934	1.1
285.09903	0.3
286.04517	0.3
296.02975	0.4
297.03940	8.4
298.04755	0.5
299.05527	9.8
301.07144	0.4
313.03430	2.8
314.04224	31.8
315.04483	0.5
329.06564	100.0
330.06876	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0655
Annotation	4,2'-Epoxy-7,4'-dihydroxy-5,5'-dimethoxy-3-phenylcoumarin
Peak:m/z	Relative Intensity
67.05489	1.4
69.00779	0.5
77.42610	0.6
78.10751	0.5
80.04607	0.5
81.07050	1.1
81.19693	0.5
95.08614	0.6
97.75727	0.6
98.98471	46.0
105.07030	0.6
109.10136	0.8
112.42751	0.5
116.99477	0.7
119.08530	0.6
141.06984	0.6
146.95576	0.5
163.07585	0.5
167.03401	0.7
168.05688	0.7
170.03629	7.1
174.99242	3.9
176.98920	1.6
185.05966	1.6
187.03947	0.7
198.03136	3.5
199.03847	0.9
202.06264	2.6
212.04648	1.7
213.05476	0.8
215.03380	1.2
225.01787	1.3
226.02617	5.8
227.03433	1.1
227.78358	0.6
229.01939	0.6
229.14291	0.7
230.02007	0.6
230.05769	1.4
240.04329	2.6
241.04993	1.9
243.02913	2.9
253.01328	1.7
254.02106	8.9
255.03004	0.9
255.06483	1.2
258.05252	7.5
267.09119	0.7
268.03705	3.1
269.04422	4.3
271.02374	4.0
273.07498	1.4
282.01602	46.6
283.02298	1.6
283.05853	0.8
285.10101	1.2
286.04822	2.0
297.03946	93.7
298.04456	3.2
299.01871	8.1
301.07080	4.9
314.04224	19.2
329.06561	100.0
330.06818	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35876	1.0
53.45597	1.1
55.05504	2.2
56.96565	1.5
58.89531	1.0
67.05511	6.1
69.07056	4.0
69.40384	3.8
69.40809	4.3
79.05486	3.6
81.07051	8.7
91.05473	3.8
93.07038	3.6
95.08593	3.9
97.06554	2.0
98.21593	1.3
98.98473	100.0
102.77554	1.0
104.37389	1.0
105.07018	2.6
107.08595	3.6
109.10151	1.5
116.99488	2.0
119.08588	2.6
121.10159	1.5
125.87521	1.0
128.88968	1.1
130.93306	2.6
131.08588	1.1
133.10135	1.8
135.11671	1.9
137.05965	1.5
140.01022	1.4
145.10159	2.5
147.11632	1.2
159.11772	1.1
172.94374	11.0
174.99226	8.1
176.98921	3.0
181.12263	1.9
190.95406	7.5
208.96449	3.3
214.95445	3.4
232.96440	12.2
244.38145	1.0
250.97491	5.6
250.99805	1.1
275.20056	2.3
280.94885	2.5
328.18903	11.1
341.62381	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35876	1.0
53.45597	1.1
55.05504	2.2
56.96565	1.5
58.89531	1.0
67.05511	6.1
69.07056	4.0
69.40384	3.8
69.40809	4.3
79.05486	3.6
81.07051	8.7
91.05473	3.8
93.07038	3.6
95.08593	3.9
97.06554	2.0
98.21593	1.3
98.98473	100.0
102.77554	1.0
104.37389	1.0
105.07018	2.6
107.08595	3.6
109.10151	1.5
116.99488	2.0
119.08588	2.6
121.10159	1.5
125.87521	1.0
128.88968	1.1
130.93306	2.6
131.08588	1.1
133.10135	1.8
135.11671	1.9
137.05965	1.5
140.01022	1.4
145.10159	2.5
147.11632	1.2
159.11772	1.1
172.94374	11.0
174.99226	8.1
176.98921	3.0
181.12263	1.9
190.95406	7.5
208.96449	3.3
214.95445	3.4
232.96440	12.2
244.38145	1.0
250.97491	5.6
250.99805	1.1
275.20056	2.3
280.94885	2.5
328.18903	11.1
341.62381	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89223	1.1
55.01887	2.6
55.05515	29.8
56.96559	1.9
58.55919	1.1
59.04988	1.1
61.56200	1.0
64.51737	1.0
64.60004	0.9
66.25146	1.0
67.05517	8.8
69.03425	5.0
69.07072	10.7
79.05500	16.5
81.03408	1.1
81.07063	12.6
83.04990	2.8
83.08627	18.7
85.06495	1.2
91.05490	7.8
93.07077	6.0
93.07556	1.0
95.04984	1.6
95.08604	5.2
95.72029	1.2
97.10183	41.9
98.21461	2.2
98.98476	100.0
99.08118	1.0
100.98911	1.2
105.07045	9.9
107.08611	46.6
109.06538	2.4
109.10162	2.3
110.05394	1.0
111.08070	1.7
117.07049	1.4
119.08586	3.9
121.10188	1.2
125.09644	34.2
130.93298	4.7
131.08540	2.1
133.10127	6.3
135.08043	4.1
135.11687	1.5
138.06258	1.1
140.01132	1.5
143.10564	1.3
145.10143	3.4
147.11682	4.5
149.09621	3.2
153.09120	2.5
159.11736	1.7
161.06003	3.1
161.13297	2.0
169.10162	1.1
171.10184	2.7
172.94379	12.6
174.99234	6.8
175.99579	1.7
176.98997	3.5
181.12268	1.9
189.11244	52.9
190.95424	15.6
208.96468	4.3
214.95506	3.4
229.19574	1.5
232.96483	19.4
232.98639	1.8
239.18031	1.6
250.97597	7.9
252.99763	1.4
255.98151	1.8
257.18991	4.6
262.94016	1.9
275.20081	35.3
280.94836	2.0
293.20700	1.3
314.04208	1.9
322.96060	1.2
329.06558	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	327.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
55.05515	3.9
56.96570	0.7
57.03425	1.0
57.07066	1.5
67.05509	4.8
69.07075	6.7
69.75221	1.3
69.75636	1.1
71.04978	0.6
79.05505	3.2
81.03413	0.8
81.07061	8.8
83.04992	0.6
83.08627	2.9
83.24525	0.4
84.08132	0.4
85.06528	1.4
85.61669	0.4
91.05479	2.4
93.07047	4.9
95.04964	1.4
95.08605	8.3
95.09163	0.6
97.06538	0.8
97.10174	1.4
98.20776	0.8
98.98470	100.0
99.08103	0.6
105.07035	3.8
107.04922	0.5
107.08604	3.4
109.06498	1.2
109.10155	4.4
111.08053	0.9
111.11711	1.0
113.06016	0.6
116.99493	1.4
119.08595	1.9
121.06478	1.0
121.10153	2.8
123.08064	1.9
123.11722	2.1
125.09637	0.8
125.13275	0.4
131.08606	0.5
133.10132	1.5
133.25592	0.4
135.08035	0.4
135.11687	2.1
137.05957	1.1
137.09663	0.5
137.13242	1.0
139.11160	0.8
140.01027	0.4
144.12105	0.4
145.10178	0.9
146.63155	0.4
147.11714	1.6
149.13246	1.9
149.30836	0.4
155.10735	0.6
157.10126	0.5
161.06056	0.5
161.09599	0.6
161.13235	0.8
163.07504	0.4
163.14836	0.7
165.12810	0.4
165.16441	0.4
172.94357	0.6
173.13210	0.4
174.26112	0.4
174.97751	0.5
174.99228	9.9
175.11201	0.4
175.14864	0.8
190.95415	0.5
203.07050	0.5
208.96628	0.5
221.69890	0.4
226.82613	0.4
232.96506	1.3
235.10948	0.4
250.97540	0.5
250.99947	1.0
273.25806	1.3
279.26892	0.5
285.07761	0.6
291.19553	2.8
291.26865	1.1
309.27945	0.9
327.05090	0.9
327.08698	0.8
327.12378	1.0
327.16019	1.7
327.25403	0.7
339.84805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01883	1.2
55.05508	5.0
55.32188	1.1
57.07080	2.1
62.20222	1.0
66.16679	1.2
67.05505	11.5
69.07084	7.4
71.04991	1.6
73.06940	1.0
77.03955	1.1
79.05502	8.1
81.03416	1.4
81.07066	9.9
83.08666	1.4
91.05492	13.0
93.07055	26.7
95.04980	26.3
95.08618	17.3
97.06542	6.6
98.98476	100.0
100.11966	1.2
101.71557	1.1
105.04521	1.0
105.07037	22.2
107.08606	14.5
109.06547	4.6
109.10176	6.7
115.05482	1.7
117.07027	6.7
119.08594	20.9
121.06514	5.1
121.10139	10.2
123.08073	4.5
123.11741	2.8
128.06300	1.3
129.07051	2.0
130.07848	1.7
131.08577	10.6
133.10146	15.0
135.08066	3.3
135.11736	2.2
141.06967	2.3
142.07813	5.0
143.08568	5.5
144.09357	3.4
145.10150	13.9
147.08061	1.4
147.11690	6.8
149.09711	1.3
150.02661	1.2
153.06966	1.2
155.08574	3.0
156.09352	2.4
157.10147	10.0
158.10883	1.6
158.66333	1.1
159.08121	1.7
159.11714	13.2
161.05954	1.4
161.09639	4.7
161.13219	1.7
167.08586	1.5
169.10144	4.7
170.10974	1.4
171.11702	5.0
172.94472	1.1
173.13300	6.0
174.99246	11.7
175.11226	1.6
175.14775	6.3
179.08589	1.1
181.10158	2.5
182.10941	1.1
183.11674	3.5
185.13307	4.1
187.11209	2.7
187.14844	5.1
189.16431	1.2
195.11748	1.4
197.13303	2.8
199.14828	3.6
205.15874	1.8
209.13289	2.5
211.14883	4.8
213.16490	1.5
215.14296	2.0
220.12611	1.1
223.14911	1.4
225.16406	1.8
227.14238	1.6
229.36185	1.5
235.14899	1.4
237.16496	1.9
250.99944	1.5
253.15971	1.7
309.22171	3.2
327.08096	2.3
327.15079	1.6
327.23288	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	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10005	3.3
53.03943	9.1
55.05509	8.9
57.07072	5.5
59.04985	2.7
67.05508	27.5
69.03436	3.9
69.07079	18.3
69.54040	2.5
69.68703	7.0
69.69132	10.8
75.36945	2.4
79.05495	21.6
79.13728	3.6
81.03439	4.4
81.07062	24.6
83.08642	4.4
91.05492	36.9
93.07047	65.5
95.04973	58.7
95.08609	52.0
97.06559	19.1
98.21433	5.1
98.98472	100.0
103.05457	6.3
105.04461	3.8
105.06386	5.4
105.07034	54.6
107.08601	33.7
109.06521	17.2
109.10167	17.7
113.61398	2.6
117.07045	14.8
119.08584	53.5
121.06503	14.5
121.10143	19.8
123.08066	9.8
123.11723	5.8
128.06230	8.4
129.07030	7.8
130.07849	5.1
131.08586	20.3
133.10139	33.6
135.08078	8.4
135.11711	6.3
137.05954	4.4
137.09636	3.7
139.66927	3.0
141.07018	3.5
142.07790	12.7
143.08563	19.5
144.09369	5.7
145.06339	2.8
145.10120	36.7
147.11694	9.2
150.02686	4.7
152.06233	14.0
153.06984	11.6
155.08577	9.1
156.09303	5.9
157.10149	23.7
158.10930	3.5
159.08035	4.3
159.11705	30.5
161.09624	11.4
161.13297	3.3
168.03777	3.3
168.05635	3.8
169.10155	10.7
171.08264	3.5
171.11708	11.6
173.13290	10.9
174.99229	10.1
175.14825	18.6
181.10172	5.5
183.11710	7.8
184.12523	3.9
185.13248	7.4
186.11333	2.8
187.11195	5.5
187.14839	9.0
195.11700	6.5
196.12549	2.8
197.13272	7.4
199.14815	7.6
201.16341	5.7
209.13239	5.5
211.14819	4.9
213.16324	4.3
225.16447	6.0
228.09335	4.0
233.03665	12.2
240.18755	3.3
251.04712	7.7
265.19504	3.3
271.08728	5.7
304.20917	2.8
309.22214	5.7
327.07822	40.6
327.14969	5.9
327.23093	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	327.1594
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
51.02412	0.6
55.01872	1.4
55.05510	1.6
56.96552	0.7
57.07075	0.5
58.38941	0.4
65.03937	0.9
67.05511	2.4
69.02942	0.4
69.03425	0.8
69.07075	2.8
71.05002	0.8
71.31744	0.9
79.05492	4.8
79.25430	0.4
79.75854	0.4
80.56686	0.5
81.07059	6.0
83.08635	0.9
83.16338	0.5
85.06554	2.8
89.25196	0.4
91.05481	5.8
93.07054	3.2
94.04176	2.5
95.04981	1.5
95.08619	4.8
97.06527	0.7
97.10217	0.7
98.98472	58.5
99.08099	0.9
103.05476	20.7
105.06314	0.6
105.07029	10.3
107.04971	2.7
107.08588	1.8
109.06532	3.5
109.10165	2.2
111.08077	1.1
115.05452	1.7
116.99480	0.5
117.07017	2.6
119.04948	1.6
119.08585	0.9
120.05691	0.5
121.06519	7.7
121.10123	1.3
122.03659	7.0
123.04382	0.6
123.08086	2.0
123.11713	1.4
127.03927	0.6
128.06252	1.1
129.06993	1.4
131.04933	22.0
133.06500	35.6
135.08054	11.6
135.11678	0.6
136.05228	0.8
137.05983	100.0
137.13292	0.6
138.06316	0.6
139.11176	0.4
143.04932	1.6
143.08571	0.7
145.06470	6.6
147.04436	0.7
147.08057	2.1
149.04909	0.5
149.06003	1.9
149.09697	0.5
149.13245	1.1
151.03944	0.6
151.07555	11.8
157.06473	3.1
160.05252	0.5
162.06779	0.7
163.07553	51.8
163.14764	0.7
165.09206	0.6
171.08034	1.2
172.05202	0.5
173.06015	0.6
174.06799	0.6
174.99232	6.3
175.07553	4.2
177.09145	1.5
182.07239	0.5
187.07562	1.1
189.09088	1.8
194.07216	0.6
200.61929	0.4
202.07716	0.8
203.10667	1.2
207.08060	0.9
217.10207	0.7
219.08154	0.6
220.08725	0.9
231.07954	0.5
235.07571	0.5
235.11208	2.3
239.10591	0.7
245.09583	0.7
248.08290	0.7
249.09045	0.5
251.00073	0.9
263.10620	3.0
277.08673	0.9
291.19553	0.7
295.10114	0.5
295.13300	9.1
299.12622	0.5
309.27911	0.7
313.52679	0.5
327.08508	0.8
327.12177	2.3
327.15924	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	327.1228
Annotation	Fortunolide B
Peak:m/z	Relative Intensity
53.03949	0.3
55.01875	2.2
55.05516	2.3
67.01869	6.4
67.02235	0.3
68.99796	2.8
69.03432	1.6
69.69690	0.2
70.01729	0.8
74.63147	0.2
79.05503	0.4
80.37494	0.2
80.97520	0.2
81.03410	0.6
83.01341	0.7
91.05487	0.8
95.04952	0.4
95.95100	0.2
97.02908	1.4
98.98472	13.7
103.05472	0.8
105.07050	0.7
107.04969	1.3
111.00793	0.6
113.68757	0.2
115.05461	0.5
116.99518	0.4
117.07024	0.4
119.04960	0.5
123.04429	0.7
125.02339	0.8
127.03954	0.4
129.01840	0.4
130.07817	0.4
131.04907	1.6
131.08566	1.2
133.06517	1.9
137.05952	0.4
139.03937	0.3
141.06987	0.6
144.05733	0.8
145.06499	1.9
145.10135	1.3
147.04443	1.2
147.08069	0.3
149.05995	0.2
151.03912	0.3
151.07599	0.3
153.01834	100.0
154.02129	0.4
155.08569	1.7
158.07298	1.8
159.04436	2.2
159.08067	2.9
160.05199	1.5
161.05997	1.9
161.09605	1.7
165.05688	0.3
165.06964	1.3
168.05684	0.4
171.02896	15.7
171.05492	0.6
171.07980	0.2
173.06012	1.8
173.09633	2.2
174.99255	1.7
175.11186	6.1
177.05577	0.3
177.09120	0.9
179.03409	3.4
183.08044	2.7
186.06792	0.6
187.07553	0.2
201.09109	18.5
243.09982	0.5
250.99902	0.2
267.06573	0.7
285.07837	0.4
307.82797	0.2
309.11154	0.4
327.12280	42.3
328.12711	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1591
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03903	0.5
55.01871	1.0
57.24855	0.5
65.88470	0.4
70.90512	1.0
79.05506	3.0
81.07046	1.5
91.05484	5.1
94.04173	3.1
95.04955	1.1
97.06600	0.6
98.98473	26.4
103.05474	19.6
105.07037	9.2
105.51720	0.6
107.04947	3.4
109.06503	2.5
115.05481	1.6
117.07038	2.0
119.04939	1.2
120.05809	0.8
121.06509	6.9
122.03648	7.4
123.04379	0.5
123.08041	1.1
128.06242	0.8
129.06996	1.0
131.04941	22.0
133.06502	36.0
135.08066	12.6
136.05186	0.9
137.05984	100.0
138.06355	0.9
143.04970	1.1
143.08569	0.6
145.06487	7.7
147.08061	2.2
149.05978	1.8
151.03929	0.4
151.07556	12.7
157.06482	3.2
161.06042	0.5
163.07552	56.1
165.09106	0.6
171.08064	1.4
174.06882	0.5
174.99242	3.6
175.07559	3.0
177.09140	1.7
187.07555	1.8
188.08502	0.5
189.09090	2.7
202.07677	0.9
203.10721	2.1
207.08099	0.8
217.10046	0.5
219.08003	0.8
220.08810	1.0
235.11224	1.9
245.09641	1.2
246.91411	0.5
263.10660	4.8
295.13315	10.5
312.13379	0.5
327.12378	0.7
327.16000	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	325.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01868	5.0
55.05266	1.8
55.05514	23.8
56.39323	1.5
56.96567	7.4
57.03445	3.2
57.07082	9.0
59.04996	1.6
62.18263	1.2
65.03938	1.8
67.05170	2.3
67.05508	28.0
69.03432	4.1
69.07073	80.3
69.29439	3.4
69.29848	9.5
71.04999	14.9
71.08638	3.2
79.05499	17.7
79.06992	1.3
81.03405	3.0
81.07065	79.2
82.07355	1.5
83.04994	3.7
83.08640	13.0
85.02898	3.8
85.06532	4.6
87.64581	1.5
91.05491	15.7
93.07053	38.0
95.04984	9.5
95.08614	71.4
97.02882	2.2
97.06534	6.5
97.10178	8.2
98.97583	7.7
99.08109	6.8
103.05460	2.3
105.03387	1.7
105.07035	14.4
107.04953	3.0
107.08605	31.5
109.06518	2.9
109.10162	41.1
111.04434	1.8
111.08067	7.9
111.11727	19.3
113.09630	1.8
114.77544	1.4
115.05476	4.0
116.98676	1.7
117.07004	3.4
119.04940	2.8
119.08581	12.2
121.02858	4.2
121.06548	2.2
121.10157	27.9
122.03646	2.5
123.04382	1.8
123.08107	3.8
123.11727	27.6
125.09618	3.6
127.11201	6.5
131.04956	2.2
131.08545	4.5
133.02875	7.8
133.06546	1.7
133.10143	18.9
134.03632	1.5
135.04469	3.2
135.08044	2.2
135.11717	23.9
137.02400	3.2
137.05969	19.1
137.09673	2.1
137.13278	10.9
139.11177	15.7
141.12646	1.4
143.10847	1.4
145.06450	3.0
145.10118	7.5
146.41830	1.3
147.04410	4.0
147.11717	9.7
149.02373	6.2
149.05974	3.7
149.09642	2.6
149.13260	28.5
150.06703	1.8
151.03947	1.9
151.11176	2.8
151.14832	4.4
153.12767	3.7
158.03658	4.7
158.99609	2.2
159.08144	1.3
159.11710	10.3
161.05972	3.2
161.09616	2.0
161.13240	8.4
163.03938	4.5
163.14828	7.5
165.06989	4.7
165.12764	2.5
166.07793	4.0
167.03429	9.8
173.05981	8.4
173.09697	1.6
173.13333	3.4
175.03940	3.4
175.07603	1.6
175.14841	6.1
176.06235	6.0
177.07021	12.2
177.16435	4.3
178.07764	3.4
181.06586	1.7
186.03107	11.8
187.14854	4.8
189.07001	1.9
189.16406	5.1
191.02126	1.5
191.08556	2.6
191.17978	2.9
193.06491	3.5
193.10645	1.4
194.07306	10.7
196.50220	1.6
197.01198	1.5
200.04677	1.8
201.05489	24.5
201.16452	2.3
203.07053	2.2
203.17995	6.4
204.05753	3.2
205.06488	26.9
206.06978	2.2
207.06418	1.6
207.08136	2.2
211.07448	2.8
215.17987	2.4
217.06532	1.6
219.08064	3.7
221.06004	14.2
221.09569	1.7
222.06781	17.3
223.07504	1.9
227.07042	2.5
233.05991	26.8
234.06689	8.4
235.07347	2.4
236.08284	2.5
237.09094	18.5
239.07048	5.4
245.22771	3.8
247.07556	5.4
249.05479	13.8
250.06253	28.3
251.07005	4.6
254.05998	1.6
254.09494	1.8
259.24319	2.6
261.05569	4.2
263.07080	2.3
263.23666	3.1
264.07870	13.2
265.08618	35.1
265.25259	6.4
266.09390	3.2
267.06549	5.8
269.08148	4.7
271.24161	4.6
277.04907	6.1
277.07916	1.9
277.25232	15.2
278.05762	14.3
279.10175	5.8
282.08801	5.0
286.06326	1.5
289.17981	1.7
289.25266	10.6
292.07306	30.8
292.10355	2.5
293.08081	46.9
294.08633	2.8
295.06046	5.0
295.26337	7.9
297.07968	3.0
297.11258	11.5
307.09662	60.8
307.26273	22.3
308.09903	1.5
310.08374	5.7
325.07196	4.9
325.10721	61.4
325.16223	100.0
325.19479	3.5
325.27374	9.8
326.11261	2.5
326.16525	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.274
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03949	1.4
55.05514	14.3
56.96569	0.9
57.03439	2.0
57.07084	3.5
59.05003	1.9
65.03936	0.6
67.05508	9.6
69.03431	2.1
69.07074	100.0
69.31281	6.3
71.04996	1.1
73.06559	0.8
76.31314	0.7
79.05505	3.4
81.07065	28.9
83.04985	1.9
83.08604	6.4
85.06541	4.5
91.05477	3.6
93.07053	7.9
95.04998	2.7
95.08616	22.7
97.06559	3.8
97.10181	3.3
98.97636	1.0
99.08083	6.2
101.06035	1.7
103.05450	0.7
105.07041	4.1
107.08595	8.1
109.06573	0.9
109.10172	13.5
111.08100	1.9
111.11728	24.9
113.09694	0.7
115.07573	0.8
119.04949	0.7
119.08617	3.4
121.06547	0.7
121.10143	7.1
123.11718	6.6
127.11183	0.9
129.12796	1.9
133.02899	1.5
133.06543	1.1
133.10161	3.2
135.08118	0.8
135.11708	4.0
137.06027	2.4
137.09608	1.2
137.13249	3.6
139.11188	18.3
139.12186	1.3
145.10182	1.4
147.11713	1.9
149.13318	1.8
151.11186	1.4
151.14903	3.0
153.12804	1.9
157.12309	2.6
159.11751	2.1
161.05966	3.6
161.13298	2.4
163.14870	1.7
165.07155	0.8
165.12782	1.8
167.14395	2.1
173.13347	1.4
175.14923	0.8
176.06284	1.2
177.12808	1.1
179.14398	2.1
186.03204	3.0
187.14851	1.0
189.07071	1.1
189.16559	0.9
194.07315	1.6
201.05460	4.6
204.05809	0.9
205.06558	4.2
211.07892	0.8
215.18086	0.9
219.08055	0.9
221.06044	2.0
222.06914	3.1
233.05994	4.2
236.02974	1.1
237.09195	2.6
247.07701	1.0
249.05550	2.0
250.06325	3.6
251.07182	1.0
263.23822	1.0
264.07980	1.7
265.08606	4.7
266.09512	0.9
278.05878	1.7
289.25281	3.8
292.07391	3.9
293.08124	6.6
295.05945	1.1
295.26498	2.6
297.11313	0.9
307.09598	8.7
307.26318	23.9
310.03186	2.5
310.08533	1.2
325.05310	7.8
325.10709	8.5
325.27454	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	325.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01847	1.7
55.05264	2.2
55.05517	27.8
55.95593	1.0
56.96572	5.6
57.03435	3.2
57.07081	9.1
59.05007	3.2
65.03929	1.4
67.05511	19.6
69.03424	4.6
69.07074	100.0
70.74143	2.5
71.05003	8.2
71.08627	2.1
79.05500	13.5
81.03416	1.9
81.07064	69.1
83.04986	18.1
83.08634	14.3
85.02879	1.5
85.06551	5.4
85.10225	1.3
87.04444	1.1
91.05481	8.6
93.07052	33.0
95.04979	7.9
95.08614	50.8
97.02911	1.1
97.06541	9.8
97.10171	7.5
98.97583	1.5
99.08086	5.0
103.04872	1.1
103.42287	1.2
105.07055	8.6
107.08608	21.9
109.06555	5.5
109.10170	25.8
111.08089	12.5
111.11736	21.2
113.09656	1.1
117.07017	2.6
119.08588	8.9
121.02940	1.3
121.06499	2.0
121.10158	21.0
123.08145	2.5
123.11716	19.3
125.06007	2.2
125.09631	1.7
125.13278	1.5
131.00192	2.1
131.08603	3.4
133.02921	3.0
133.10161	4.4
135.08138	1.5
135.11708	16.3
137.02364	1.2
137.06020	3.3
137.09636	1.5
137.13269	8.1
139.11195	19.2
145.10159	3.3
147.11707	6.9
149.01228	1.4
149.02364	2.6
149.09676	1.8
149.13274	9.6
151.11252	1.7
151.14828	2.8
153.12775	6.5
157.12297	2.4
159.11740	3.5
161.06007	1.3
161.13272	2.1
163.03900	1.1
163.11214	4.9
163.14879	2.7
165.12741	2.3
167.03456	2.6
167.14365	3.4
175.14798	1.2
177.16440	2.5
179.14345	2.2
181.12270	2.6
186.03206	2.0
187.14854	2.2
189.16446	1.7
191.17964	1.5
194.07312	2.3
201.05540	4.7
201.16548	1.7
205.06551	4.8
209.19110	2.7
215.18044	2.0
221.06053	2.4
222.06841	2.4
223.07684	1.3
225.09251	1.5
233.06000	4.7
234.55502	1.4
235.20711	1.6
237.09285	3.7
239.07060	1.6
244.09702	4.6
250.06361	3.7
253.08688	1.6
264.07690	1.4
265.08618	5.9
267.06625	1.8
269.08215	2.6
271.24222	2.6
278.05777	1.8
289.25354	4.8
292.07339	3.1
293.08115	7.6
295.26398	2.4
297.11218	1.5
302.63797	1.4
307.09653	7.3
307.26331	17.0
325.07114	2.5
325.10834	11.6
325.16333	41.1
325.27344	9.7
343.01300	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01883	0.9
55.05518	2.8
56.96554	1.8
57.03438	1.0
57.07074	1.6
61.02927	0.9
67.05502	5.3
69.03439	1.0
69.07076	4.6
69.55628	0.8
69.56036	3.2
71.01390	0.6
71.05006	0.9
71.08601	0.8
79.05501	4.7
81.03417	1.1
81.07055	9.0
83.05005	0.7
83.08611	2.3
85.02901	1.4
85.06519	1.4
91.05477	3.9
91.47064	0.5
93.07050	5.1
95.04958	1.9
95.08604	6.6
95.25385	0.5
95.26010	0.5
97.02878	1.0
97.06527	1.3
97.10141	0.9
98.21548	1.1
98.97588	1.6
105.07040	4.0
107.04980	0.9
107.08594	4.0
109.06506	1.2
109.10149	3.3
111.08030	0.6
112.11307	0.7
116.98631	0.8
117.07024	1.2
119.04943	1.2
119.08609	3.4
121.06469	0.8
121.10157	3.7
123.08041	1.0
123.11723	1.8
129.06967	0.6
131.08598	2.3
133.02821	0.8
133.06555	0.9
133.10110	4.3
135.11702	2.7
137.05954	1.1
139.11287	0.6
143.08545	1.2
145.10127	2.8
147.04427	1.2
147.11723	2.0
149.02377	1.3
149.06020	1.0
149.09592	1.1
149.13275	1.7
155.08621	0.8
155.82497	0.7
157.10150	1.1
159.11714	2.0
161.02931	0.9
161.09618	1.6
161.13313	0.6
163.02702	1.1
163.03905	6.0
163.07549	0.9
163.11137	1.1
167.03404	0.9
171.11734	1.1
175.11157	0.9
183.05058	0.6
194.07343	1.0
201.05470	1.4
205.04893	3.6
205.06670	1.3
211.14809	0.7
221.05853	0.6
222.06793	1.5
223.06050	1.0
227.17940	0.7
233.06058	1.3
237.09151	0.8
237.16415	0.7
239.07144	0.8
245.19019	1.0
251.07043	0.6
251.11406	1.4
255.17433	1.8
262.21582	0.8
264.07547	0.8
265.08649	2.2
269.08224	1.3
269.12308	2.0
272.20105	2.0
273.18558	3.9
278.05994	0.6
281.17233	3.6
290.20999	3.1
291.19586	2.1
292.07214	1.7
293.08139	2.3
297.11057	0.8
307.09732	2.5
307.26273	0.7
325.11234	5.5
325.16257	100.0
326.16464	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.3
59.89162	0.6
67.05504	1.0
69.07062	2.4
79.05473	0.6
81.07060	2.9
83.08644	0.6
84.29670	0.6
85.02879	0.8
91.05487	1.6
93.07045	1.8
95.08592	2.4
97.06529	0.7
97.10197	0.7
105.07047	0.9
107.04951	1.6
107.08604	1.7
109.06557	0.7
109.10155	1.2
121.10162	1.0
130.49867	0.6
131.00140	0.5
133.02872	1.2
137.05971	1.1
147.11671	0.8
149.02399	0.8
201.05478	0.9
205.06532	0.8
210.36438	0.6
221.05887	0.7
225.13379	0.7
228.99844	0.7
233.05965	0.8
243.59010	0.7
250.06102	0.8
251.11427	2.0
265.08597	0.9
269.12256	2.8
281.17307	2.7
287.13336	1.5
293.08200	1.6
307.09738	1.1
325.16248	100.0
326.16711	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1437
Annotation	dorsmanin A
Peak:m/z	Relative Intensity
55.01871	1.7
55.05513	2.6
56.96566	1.3
57.03448	1.2
60.04539	1.4
62.59960	0.7
62.80011	0.7
65.03944	21.0
67.05507	6.3
68.99798	2.7
69.03419	0.9
69.07074	12.8
69.87516	3.1
69.87929	1.5
79.05486	5.6
81.03429	1.1
81.07064	6.0
83.08620	1.6
85.47946	0.7
91.05488	10.0
92.28364	0.8
93.03416	19.5
93.07041	2.4
95.01340	1.2
95.04978	3.4
95.08614	7.6
97.06538	0.8
102.05545	6.6
103.05492	0.9
105.07030	1.7
107.04950	2.6
107.08595	2.5
109.10188	2.4
111.04464	3.4
119.04948	17.9
121.02877	23.2
121.10142	2.9
123.04440	1.8
123.11730	1.1
131.04922	1.2
131.08572	1.3
133.10135	1.7
135.04442	0.8
135.11739	1.7
137.02356	11.1
137.13176	0.8
139.03937	2.0
147.04417	49.3
147.11714	0.8
149.02356	38.5
157.06442	1.1
159.04451	1.6
161.05986	1.5
161.13246	0.9
163.03908	4.5
165.06992	1.2
167.03416	99.2
171.08113	2.3
175.03969	1.6
175.11180	1.2
181.06526	3.0
185.06006	1.5
195.08023	2.6
198.53012	0.8
199.07507	4.6
205.08594	14.5
215.07123	1.0
215.10635	0.9
223.07539	3.2
226.06247	3.2
226.65279	0.8
227.07062	6.7
241.08546	1.6
251.07103	4.7
255.06677	1.0
256.07330	1.5
257.08011	3.8
269.08099	55.8
325.14352	100.0
325.23785	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	325.1436
Annotation	dorsmanin A
Peak:m/z	Relative Intensity
57.17418	0.7
57.85532	0.7
65.03927	2.9
68.99785	0.9
69.07062	4.5
69.58267	4.7
81.03442	1.4
93.03403	1.4
98.21469	0.8
103.05460	1.1
107.04884	1.0
111.04445	0.7
119.07937	0.6
121.02866	2.6
121.06549	1.0
123.04427	2.9
127.72861	0.6
131.01317	4.2
131.04929	3.0
135.04372	0.9
137.02353	24.2
147.04410	1.9
149.02345	100.0
150.02531	0.7
157.06430	1.1
159.04401	3.7
163.03929	1.6
165.06976	1.1
167.03407	56.0
168.57527	0.6
169.06499	1.2
171.08086	1.7
173.05923	0.9
177.05414	0.7
181.06453	1.6
183.08020	1.1
185.06027	1.6
195.08095	1.7
197.06029	1.1
197.09631	0.9
198.06725	0.8
199.07532	7.6
205.08598	4.9
213.09126	1.5
215.10635	1.7
223.07521	2.1
225.09157	1.3
226.06108	0.8
227.07036	9.3
236.63028	0.6
251.07028	6.2
257.08072	2.7
269.08093	65.2
280.10306	0.7
325.14359	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1436
Annotation	(-)-phaseolin
Peak:m/z	Relative Intensity
55.01868	2.8
67.05515	1.3
68.99792	5.0
69.06723	1.8
69.07076	17.5
69.82079	3.7
69.82481	3.0
71.01343	1.5
79.05476	1.5
81.03410	5.6
88.66613	1.2
102.91611	1.3
103.05479	5.8
105.07014	1.4
107.04963	4.5
109.02885	2.0
119.04988	1.8
123.04437	7.6
128.06232	1.7
131.04939	11.5
133.06500	7.5
135.04449	1.6
137.02353	100.0
143.08569	1.6
145.06517	2.4
147.04420	7.2
149.02338	1.7
152.06181	1.5
153.07040	2.6
155.08516	1.8
157.06436	1.4
159.04449	11.3
159.08093	2.0
163.03967	8.2
165.06975	1.3
167.03517	1.4
167.08601	3.2
169.06593	1.3
171.08064	6.5
173.05989	3.0
177.05553	2.1
181.06529	5.4
183.08029	2.8
185.06001	4.7
189.12749	2.2
195.08089	5.5
197.05994	2.0
197.09668	1.9
198.06747	1.8
199.07571	33.3
203.07048	1.7
204.07362	1.4
205.07791	2.9
209.06020	2.5
211.07497	1.7
213.05518	2.6
213.09163	3.5
215.10725	6.2
223.07588	9.2
225.05569	1.9
225.09184	2.9
226.06293	5.2
227.07050	39.2
239.07112	1.6
241.08618	3.8
251.07056	23.0
257.08121	9.6
269.08109	65.0
287.09192	5.0
325.14368	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1434
Annotation	dorsmanin A
Peak:m/z	Relative Intensity
51.19339	0.3
55.01878	0.4
61.44400	0.3
65.03944	4.2
70.55403	0.3
70.55750	0.7
72.51052	0.3
81.03422	0.4
91.05482	0.5
93.03406	3.6
95.01331	0.6
107.04965	1.3
111.04449	0.3
119.04994	0.6
121.02879	3.9
121.06499	1.3
130.41792	0.3
131.01295	5.6
137.02354	1.1
147.04434	2.5
149.02347	100.0
152.06151	0.4
163.03932	0.7
165.07376	0.2
167.03409	63.2
169.06447	0.9
169.07886	0.3
181.78699	0.3
195.08054	0.7
196.08127	0.4
197.06012	3.3
199.07491	0.4
205.08620	3.1
223.07529	1.0
251.07098	1.8
269.08093	35.9
270.08310	0.4
274.79114	0.3
298.88446	0.3
317.17914	0.3
325.14340	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	325.1438
Annotation	(-)-phaseolin
Peak:m/z	Relative Intensity
50.71001	1.0
53.03933	1.2
55.01863	3.6
65.03943	1.6
67.05517	1.3
68.99783	4.6
69.07073	20.1
70.23724	3.4
71.01344	2.0
81.03413	4.8
91.05474	1.9
93.03381	1.4
95.04971	1.1
103.05465	6.9
107.04977	2.7
115.05451	1.6
119.04959	2.3
121.02850	1.5
123.04435	8.6
127.03922	1.1
128.06238	2.1
129.07001	1.3
131.01341	1.1
131.04944	12.6
133.06500	1.6
135.04440	1.9
137.02350	100.0
143.08572	1.5
145.06453	2.3
147.04425	7.8
149.02357	34.1
151.10770	1.0
152.06209	1.6
153.07024	2.3
155.03313	0.9
157.06474	4.9
159.04428	15.7
159.08017	1.6
163.03934	4.8
165.07027	2.3
167.03427	21.9
167.08594	4.1
169.06531	2.7
171.08081	8.3
173.06015	3.8
173.09677	2.2
177.05481	3.0
177.06972	2.1
179.08661	1.4
181.06482	4.9
182.07234	1.6
183.08046	2.5
185.06052	7.7
185.09595	1.0
195.08122	5.8
197.05969	2.5
197.09674	2.8
198.06827	2.4
199.07559	35.0
199.09401	2.2
205.06552	1.3
205.08676	1.0
209.05940	2.2
211.07558	1.5
213.05511	2.0
213.09160	3.6
215.10707	7.6
223.07564	11.0
225.05490	2.2
225.09175	3.9
226.06334	3.1
227.07053	34.3
239.07059	1.8
241.08556	6.6
251.07056	24.9
255.58490	0.9
257.08176	10.7
269.08118	86.9
270.08368	1.1
287.09177	2.6
291.53275	1.0
307.13443	1.9
325.14374	96.6
340.64291	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1435
Annotation	dorsmanin A
Peak:m/z	Relative Intensity
53.00321	0.4
55.01868	0.3
65.03949	2.6
66.83359	0.2
75.61808	0.2
83.62904	0.2
92.73151	0.2
93.03416	2.3
98.21623	0.6
121.02879	2.7
121.06509	0.5
131.01291	4.4
131.44736	0.3
138.02144	0.3
149.02351	100.0
149.94656	0.3
167.03413	55.0
205.08632	3.9
235.95506	0.3
269.08099	45.5
325.14352	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	325.1435
Annotation	dorsmanin A
Peak:m/z	Relative Intensity
51.39647	0.3
53.03947	0.8
55.01875	2.2
65.03943	26.6
67.05518	0.5
68.36593	0.3
68.99771	2.1
69.07072	10.9
70.57678	0.9
91.04898	0.4
91.05480	9.2
93.03409	23.1
95.01356	1.4
95.04972	4.4
101.86291	0.3
107.01327	0.4
107.04958	3.9
111.04447	3.3
119.04951	21.3
121.02875	25.7
121.06496	0.4
122.03642	0.3
123.04488	1.5
128.06230	0.5
131.04919	0.4
135.08110	0.3
137.02344	3.9
139.03915	0.9
141.06915	0.3
147.04416	55.1
149.02347	43.7
152.06184	0.7
153.06998	0.4
157.06473	0.9
159.08031	1.0
162.03075	0.3
163.03888	3.7
165.06992	0.8
167.03406	99.6
168.03812	0.7
171.08076	1.1
175.03954	1.0
177.06975	0.6
181.06488	1.9
185.09650	0.4
195.08092	1.9
197.06017	0.6
198.06807	0.7
199.07549	2.8
205.08606	14.6
209.06026	0.4
211.07713	0.3
213.09166	0.7
215.07019	0.4
223.07578	2.9
226.06270	3.7
227.07042	3.5
228.41119	0.3
231.10214	0.4
239.07022	0.7
241.08611	1.0
242.05971	0.4
251.07022	2.6
253.08731	0.4
255.06554	1.0
256.07266	2.2
257.08096	4.8
269.08096	49.7
307.13785	0.5
325.14346	100.0
326.14685	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1435
Annotation	licoagrochalcone A
Peak:m/z	Relative Intensity
51.19774	0.6
51.78495	0.6
55.01871	2.6
65.03922	1.0
68.99792	4.8
69.07075	20.4
69.31425	0.6
69.62521	1.9
69.62931	2.2
71.01359	1.7
81.03431	6.8
95.04937	0.8
98.21462	1.5
103.05471	7.2
107.04948	2.6
115.05463	0.8
117.03416	1.6
119.04945	2.4
123.04430	9.7
127.03983	1.0
128.06198	0.7
129.06999	1.2
131.04945	11.3
133.06522	1.3
135.04448	0.9
137.02351	100.0
139.29668	0.7
143.08563	1.3
145.06509	1.4
147.04422	8.0
152.06229	1.5
153.07068	1.5
155.03412	1.5
155.08624	1.3
157.06514	3.7
158.07256	0.8
159.04431	14.7
159.08087	2.0
160.05222	0.7
163.03912	3.6
165.05673	0.9
165.07016	2.4
167.08585	2.7
169.06500	2.5
171.08066	7.3
173.05965	3.2
173.09605	1.4
175.03920	0.9
177.05447	2.4
177.06944	1.4
179.08635	1.7
181.06506	5.1
182.05173	0.6
183.08089	3.3
185.06018	5.1
195.08057	6.9
197.05969	2.9
197.09494	0.9
198.06813	2.3
199.07565	33.2
202.43318	0.7
205.06451	1.4
209.05992	2.0
211.07635	1.3
213.05533	1.7
213.09035	4.2
215.10663	6.1
223.07547	8.7
225.05498	1.4
225.09082	3.2
226.06248	3.5
227.07053	34.4
239.07094	1.0
241.08601	7.4
249.40720	0.7
251.04443	1.0
251.07068	21.1
251.09570	1.4
257.08047	8.3
269.08115	64.3
287.09143	2.8
307.13214	1.8
325.14362	73.2
326.14645	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1435
Annotation	dorsmanin A
Peak:m/z	Relative Intensity
53.00318	0.4
53.03945	0.4
55.01874	0.4
55.05498	0.5
56.96567	0.9
57.07073	0.6
62.91771	0.4
64.10429	0.5
65.03950	4.4
67.05507	0.8
68.99845	0.4
69.07071	2.1
71.55613	0.7
79.05492	0.5
81.07065	0.7
91.05476	1.1
93.03411	2.9
93.07069	0.6
95.04962	0.8
95.08586	0.5
105.07062	0.6
107.05000	0.7
107.08619	0.7
111.04455	0.8
119.04974	1.9
121.02880	4.6
121.06503	1.2
123.04409	0.7
131.01306	4.1
131.04933	0.5
134.89975	0.4
137.02362	3.9
147.04431	5.0
149.02350	88.6
151.03943	0.4
159.04434	0.6
162.02650	1.0
163.03896	1.6
167.03412	100.0
175.03951	0.4
177.05519	0.7
193.04974	2.0
199.07526	1.3
203.06981	2.1
204.07388	5.1
205.07430	2.2
205.08636	4.6
210.64008	1.2
217.22232	0.4
224.65614	0.6
227.07106	1.4
234.06561	0.4
251.07050	1.4
269.08099	57.7
325.14331	31.9
325.26184	4.0
325.76340	0.6
326.14636	0.6
343.04962	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1437
Annotation	(-)-phaseolin
Peak:m/z	Relative Intensity
55.01867	2.9
65.03927	2.3
67.05495	2.4
68.99783	2.7
69.06729	1.8
69.07077	23.5
71.01322	1.9
71.55186	1.3
79.05477	2.1
81.03430	6.5
81.07076	2.2
87.81199	1.0
90.26720	1.0
91.05482	1.4
93.07047	1.0
95.08630	1.7
103.05470	7.2
105.07041	1.7
107.04958	3.7
108.46706	1.0
111.04470	1.1
113.78144	1.0
117.03407	1.3
117.07050	0.9
119.04944	1.8
121.02904	2.0
123.04444	7.0
124.82275	1.0
128.06239	1.3
129.07010	1.0
131.01295	1.2
131.04941	14.5
133.06496	2.0
135.04410	2.4
137.02351	99.2
142.81328	1.0
143.08588	1.8
145.06517	1.9
145.10112	1.3
147.04440	9.2
149.02361	24.9
152.06244	2.1
153.06996	2.2
157.06514	4.5
159.04436	12.4
159.08076	1.9
163.03981	8.3
165.07048	2.7
167.03412	33.4
167.08572	3.2
169.06509	3.2
171.08102	7.7
172.05482	1.0
173.06017	3.6
173.09593	2.4
177.05525	4.0
177.06967	1.0
179.08615	1.8
181.06494	6.2
182.07265	1.4
183.08083	2.9
185.05992	5.9
195.08130	6.6
197.05981	2.3
197.09677	1.6
198.06761	1.6
199.07559	38.6
205.06512	2.7
205.08455	1.1
213.05518	1.7
213.09126	4.4
215.10728	6.8
223.07556	9.8
225.05475	2.0
225.09200	2.0
226.06233	2.9
227.07047	32.4
241.08507	5.6
247.87173	1.0
250.68597	0.9
251.07071	25.6
257.08151	12.3
269.08118	92.1
287.09116	5.5
307.13281	1.7
325.14374	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1435
Annotation	dorsmanin A
Peak:m/z	Relative Intensity
53.00287	0.4
55.01863	0.5
56.25044	0.3
57.03434	0.4
65.03945	2.4
71.44544	0.8
72.89363	0.3
74.09611	0.4
81.07037	0.5
91.05474	0.8
93.03415	1.9
116.39254	0.4
119.04932	0.6
120.08924	0.5
121.02869	2.2
121.06502	0.9
130.07225	0.4
131.01286	3.9
134.03220	0.4
147.04436	0.8
147.08096	0.5
149.02353	100.0
150.02676	1.2
150.38826	0.4
161.02330	1.2
161.05901	0.6
162.02678	1.7
163.02827	1.1
164.04286	0.5
167.03413	52.3
168.03847	0.8
175.07600	0.5
185.06036	0.6
186.06360	0.8
187.06610	0.5
203.07036	6.5
204.07394	11.7
205.07417	12.4
245.77516	0.4
269.08112	45.9
325.14236	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	325.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.3
54.77580	0.5
55.01876	4.8
56.57665	0.5
57.03432	2.9
59.05016	0.7
61.02925	1.7
65.03929	2.1
67.05486	1.7
68.99787	0.6
69.03088	1.0
69.03435	16.3
69.07074	0.7
70.06592	0.9
70.16855	1.0
70.17244	1.2
71.01332	1.1
71.04720	0.4
71.04994	4.8
71.14071	0.5
73.02901	2.1
79.05481	1.3
81.03424	17.0
81.07045	2.2
83.01321	1.3
83.04970	2.2
84.08154	5.2
85.02916	7.6
86.09701	1.0
89.03886	0.8
91.05482	4.9
93.03399	4.5
93.07038	1.8
95.04969	5.3
97.02905	1.4
97.06554	0.9
98.97565	1.0
99.04465	6.3
103.03948	1.3
105.03394	0.8
105.07021	2.3
107.08619	1.1
109.02894	1.8
109.06517	2.1
111.04449	2.9
115.05479	0.7
117.05493	2.0
117.07028	2.2
118.06555	6.0
119.04937	2.3
119.08570	1.6
120.08125	0.8
121.02872	9.2
121.06480	1.3
121.10178	1.1
123.08063	0.7
125.05997	0.6
125.69311	0.5
127.03884	1.0
131.04951	0.8
131.08521	1.0
132.10254	0.7
133.02841	3.6
133.06520	0.8
133.10129	1.4
135.04376	0.9
135.08076	0.8
137.02353	2.4
137.06006	4.6
137.09566	0.7
139.03905	1.3
141.01820	0.6
142.07747	0.7
143.08516	0.9
145.02872	1.1
145.06491	3.0
145.07622	6.2
145.10095	0.9
145.44048	0.5
147.04361	0.8
147.08112	1.1
147.09180	7.9
149.02347	2.0
149.05995	1.5
149.09633	0.9
151.03899	2.1
151.07549	1.2
157.10069	0.6
159.08057	0.7
160.08875	0.6
161.02391	2.5
161.05956	0.9
161.09576	2.1
162.07951	0.9
163.03874	1.5
163.07529	2.1
163.08690	1.5
163.11188	2.4
165.01875	0.7
165.05469	0.9
167.03415	1.5
168.04175	1.3
173.05716	0.8
173.07123	12.4
173.09558	0.9
175.08783	5.7
175.11186	6.6
177.00626	0.5
179.03397	5.4
187.11128	0.7
189.01862	3.0
189.12820	1.8
191.08170	100.0
193.12248	4.6
197.04433	1.7
201.05537	1.8
203.95230	0.6
205.06500	1.8
205.12294	1.6
207.02917	6.5
211.07561	0.6
213.07784	0.8
225.03943	1.5
227.07079	0.8
231.11427	0.8
233.05936	1.4
233.09325	1.1
239.07115	0.7
243.11514	0.8
247.07690	0.6
251.07031	0.9
265.08527	1.0
267.06531	7.6
268.07330	7.4
269.08051	1.5
271.10724	0.9
274.02966	0.9
279.06573	2.2
279.20685	0.7
289.11868	2.2
292.07446	1.1
293.08060	1.5
295.06149	3.3
296.06793	7.9
297.07626	7.9
307.05945	3.1
307.09787	1.4
307.12790	29.3
315.42761	0.6
325.07111	76.7
325.13577	21.4
325.21484	1.4
326.07391	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1074
Annotation	Vitexdoin C
Peak:m/z	Relative Intensity
53.03952	1.4
55.01860	4.5
57.03424	1.5
67.05495	1.8
69.07074	1.9
69.23682	13.0
69.84657	1.2
71.04993	1.6
79.05482	2.8
81.07070	3.7
85.02853	1.6
85.06533	1.7
85.76492	1.3
86.09760	1.3
91.05481	9.7
93.07038	1.7
95.04984	2.5
95.08591	2.0
98.21478	2.4
98.29950	1.2
102.04712	1.7
103.05485	2.1
105.07052	3.1
107.04941	2.8
109.06554	1.9
109.10121	1.6
115.05447	3.8
117.07006	2.7
119.04954	8.0
121.02821	1.5
121.06496	2.0
122.03660	2.1
123.04467	1.9
123.08083	1.6
130.04132	4.3
131.04910	1.8
133.02869	3.0
133.06535	2.4
134.03654	2.4
135.04405	4.8
137.02293	1.5
137.05995	28.9
141.03426	2.3
143.04918	2.8
145.06480	3.4
147.04405	3.4
147.08034	1.7
149.05989	8.7
150.06749	4.3
151.03925	6.5
158.03636	7.2
160.05251	1.9
163.03957	2.4
165.06970	10.7
166.07814	4.0
173.06021	10.3
175.03944	6.1
175.07542	6.2
176.06192	5.9
177.05553	2.2
177.06985	16.1
178.07739	2.6
181.06499	1.9
185.02321	2.3
186.03134	28.0
187.07497	2.1
188.35272	1.4
189.05406	2.1
189.06973	3.1
191.08658	2.7
193.06514	5.1
194.07277	19.9
195.08072	3.2
200.04739	2.4
201.05469	50.4
203.07008	3.3
204.05719	7.4
205.06544	51.7
205.08604	6.8
206.07132	3.3
207.08023	2.2
209.09645	2.6
211.03831	1.7
211.07585	3.9
215.06964	1.7
217.06407	2.4
218.07310	3.0
219.08008	5.3
221.06017	23.5
221.09644	2.7
222.06766	35.1
223.07661	2.3
223.09604	1.8
224.04843	2.0
226.06401	2.4
227.07007	3.8
230.67133	1.5
232.05269	2.3
233.06000	47.4
234.06755	9.9
235.07544	3.3
235.09697	1.8
236.08363	2.7
237.09117	26.2
239.07109	7.7
246.06824	2.0
247.07570	10.1
248.08354	2.4
249.05479	21.1
249.07870	2.3
250.06259	43.0
251.06987	10.5
254.05568	1.7
254.09306	3.4
261.05511	7.9
262.06284	2.6
263.07150	1.9
264.07806	17.7
265.08621	57.5
265.11493	2.8
266.09204	5.7
267.06561	11.7
268.07025	1.6
269.11725	1.4
275.06998	3.8
277.04987	10.3
277.10870	2.6
278.05753	24.9
279.07138	3.0
279.10202	8.3
281.08231	1.7
282.08871	7.5
283.09885	1.7
286.12830	1.6
289.10611	2.8
292.07324	45.4
292.10681	2.3
293.08099	71.2
294.08691	2.7
295.06110	9.0
297.11255	11.4
307.09628	100.0
308.10071	2.2
309.07516	3.0
310.08350	9.1
325.10696	90.1
326.11023	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	324.2171
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.05504	1.5
56.27475	0.5
64.51796	0.7
67.05509	4.3
69.06722	0.9
69.07074	10.6
69.40655	1.9
69.41079	2.4
72.01783	0.5
79.05488	3.6
81.07053	6.9
83.04986	3.7
83.41905	0.6
83.50303	0.5
86.09711	100.0
91.05487	9.1
93.07050	13.2
95.04994	2.2
95.08625	2.0
105.07034	14.3
107.05024	0.6
107.08612	3.3
109.06525	9.8
109.10148	0.8
111.08100	2.4
117.07068	1.0
119.08604	5.1
121.10188	0.8
123.08054	0.6
123.11735	0.7
128.10741	4.3
129.07083	0.9
131.08598	3.9
132.10214	28.7
133.06476	1.2
133.10138	17.0
133.11086	0.9
137.02342	0.9
147.11697	11.6
149.09647	1.7
151.07590	3.0
151.11189	40.6
153.28348	0.5
156.10226	1.3
158.18523	0.5
161.02283	0.5
164.29044	0.5
165.12775	2.1
174.11269	0.8
175.11214	3.5
193.12256	5.6
196.08409	0.5
203.07022	2.3
204.07396	5.8
210.14912	1.4
222.14900	1.3
250.21857	0.6
260.20126	6.2
278.21179	28.0
306.20706	5.6
324.13315	3.1
324.21722	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	323.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01871	4.1
55.05517	31.1
57.19434	1.4
59.05008	1.1
62.06085	5.1
65.03960	1.5
67.05515	15.2
69.03426	5.4
69.07076	12.7
70.06146	5.3
79.05068	1.4
79.05499	17.3
81.03421	2.9
81.07068	16.8
83.04971	2.6
83.08629	11.5
91.05479	10.7
93.07055	13.3
95.04959	5.3
95.08628	8.5
97.02903	2.7
97.06512	2.0
97.10175	21.1
98.20869	1.4
98.97557	1.3
105.07044	10.4
107.04955	3.8
107.08603	13.8
109.06544	1.4
109.10159	3.0
111.04424	1.5
111.08093	2.3
117.07021	5.0
119.08597	8.0
121.06521	2.8
121.10159	3.1
123.08078	4.8
125.09635	17.3
129.07014	2.4
131.08604	6.4
133.06451	2.3
133.10144	3.0
135.04433	1.3
135.08022	5.5
135.11667	1.5
137.02361	3.4
137.09645	2.4
143.08527	2.7
145.10132	3.9
147.08061	4.2
147.11688	2.1
149.05995	1.8
149.09608	3.3
153.09116	2.5
157.10194	2.1
159.11679	1.4
161.02385	2.8
161.06024	2.2
161.09650	1.7
162.36752	1.3
165.09125	3.3
175.11218	1.5
199.11169	1.5
201.73415	1.2
203.07021	12.7
203.12828	8.5
205.12329	1.2
217.12260	1.6
223.13347	11.0
238.95181	1.3
255.17476	2.3
267.06516	2.3
273.18558	10.6
291.19559	100.0
298.47931	1.2
305.21088	22.9
323.12747	9.8
323.22296	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	324.196
Annotation	CW 69D
Peak:m/z	Relative Intensity
52.88168	0.3
53.03948	0.8
56.96566	0.6
77.03937	0.4
78.27123	0.3
79.05497	17.8
81.07056	0.5
86.09706	0.7
90.71305	0.3
91.05479	1.0
93.07054	1.8
95.04973	0.9
98.20715	0.7
103.05475	37.9
104.64005	0.3
105.07041	3.0
107.04962	18.5
118.06554	6.0
121.06505	1.2
131.04935	11.7
132.08066	2.0
133.08875	1.3
134.09613	0.5
146.09636	1.7
149.05994	0.5
158.99683	0.4
160.11246	0.6
176.14360	46.6
177.05133	0.3
177.14777	0.6
189.15108	0.5
190.08681	0.3
230.65038	0.3
233.14096	0.9
243.08806	0.8
252.06787	0.4
262.11606	0.3
266.11832	0.5
277.13956	0.3
283.06427	0.3
306.05206	0.3
324.19589	100.0
325.19986	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1282
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
52.58923	0.7
55.01869	1.1
55.05519	4.3
55.90790	0.7
56.96566	3.0
57.03431	1.1
57.07070	1.6
67.05515	4.3
69.03423	1.9
69.07082	5.5
69.54416	0.7
70.12724	3.4
71.04995	2.0
79.05486	3.2
81.03418	1.7
81.07076	8.1
83.04985	2.1
83.08617	2.3
85.02898	1.2
85.06538	1.1
91.05501	4.0
92.09729	0.9
93.07066	5.6
95.04987	3.7
95.08630	7.2
97.02886	0.8
97.06541	2.0
97.10163	2.2
98.97571	3.6
105.07050	4.2
107.04951	2.9
107.08623	4.3
109.06508	1.3
109.10160	4.8
110.97583	0.8
111.08064	1.4
116.98649	2.0
119.04126	0.8
119.04992	0.9
119.08585	2.5
121.06536	1.4
121.10166	4.7
123.11700	1.7
131.04897	1.7
131.08537	1.1
133.06464	1.1
133.10129	2.3
135.11694	2.3
137.02333	3.1
137.06053	1.3
137.13322	1.1
143.08514	0.9
145.06497	2.2
147.04393	2.9
147.11708	1.5
149.05922	1.3
149.13240	2.6
151.11116	1.5
153.06985	1.6
155.08496	1.0
157.10118	1.0
161.02303	0.9
161.05968	1.5
161.09628	0.9
175.07573	1.3
180.62491	0.9
181.06488	1.6
187.11143	2.9
191.08669	1.3
192.09334	1.4
198.06776	2.4
199.07562	2.3
199.11665	1.0
202.07780	5.3
203.06973	3.8
203.08582	18.8
205.06433	4.3
206.07246	1.2
210.06773	1.3
215.08655	1.4
218.07317	1.0
219.08066	6.2
220.08844	6.5
221.05998	1.0
221.09648	1.7
223.07686	1.1
224.08372	1.2
226.06267	2.6
227.06958	0.9
230.07285	1.4
231.08086	19.5
232.08791	4.4
233.05994	3.5
234.06720	2.6
235.07570	1.2
236.04773	1.1
237.09064	4.3
241.08665	7.6
245.09697	1.5
247.07697	5.3
248.08350	33.9
249.09094	5.3
250.06267	2.1
251.07013	4.5
251.10773	1.1
252.07619	1.2
252.11650	1.3
255.06578	1.3
258.07001	1.0
259.07587	8.7
260.08298	5.1
261.05823	0.9
261.09082	2.6
262.06253	2.0
262.09827	4.6
263.07742	1.4
263.10672	22.4
264.07883	1.4
264.11276	0.9
265.08606	7.7
266.09445	1.4
269.08157	8.2
273.08984	1.8
274.10080	1.0
275.07092	1.2
275.10699	1.4
276.07813	20.8
276.10806	1.1
277.08600	13.1
278.05463	1.3
279.06558	3.8
279.09909	1.2
280.07260	2.2
280.10956	2.5
281.15457	0.8
290.09286	2.7
291.10178	65.1
292.07324	2.2
292.10928	9.6
293.08154	9.1
294.08792	4.4
295.09586	4.2
295.13272	2.6
305.11633	8.8
305.24738	2.1
307.09619	6.2
308.10468	11.0
323.05099	2.7
323.12781	100.0
323.18140	11.6
324.13303	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.128
Annotation	4'-Hydroxyisolonchocarpin
Peak:m/z	Relative Intensity
55.01866	0.4
57.03429	0.2
65.03936	0.5
69.07074	0.2
69.40221	0.2
69.40558	1.6
77.03915	0.3
78.01258	0.2
79.05473	0.8
81.03444	0.4
81.07041	1.3
86.09674	0.2
86.92528	0.2
91.05485	4.0
93.07024	0.4
95.00793	0.2
95.01331	1.3
103.05479	0.4
105.03391	1.3
105.07055	1.1
105.07665	0.2
107.04946	0.7
107.08598	0.4
107.35786	0.2
109.06532	1.7
115.05439	0.4
116.06240	0.4
117.07015	0.7
119.04952	3.5
119.08587	2.1
121.02834	0.3
123.00774	0.8
128.06223	0.7
129.07010	2.7
131.04897	0.4
131.08551	0.5
132.05713	0.4
133.02866	2.5
133.06496	0.3
135.04446	0.5
135.08058	0.2
137.01363	0.3
137.02339	3.6
141.07005	0.4
144.05688	0.7
147.04417	6.8
147.08055	5.7
149.02353	6.2
151.03938	1.7
155.06134	0.2
157.06493	1.5
158.07260	0.2
159.08060	0.2
160.05206	1.1
161.02354	13.6
161.05978	4.4
163.03911	2.8
167.03410	2.8
169.06436	0.2
170.37242	0.2
174.03273	0.3
175.03951	1.9
175.07555	2.9
185.05995	5.7
188.04753	1.0
195.08044	0.6
197.05954	0.3
198.06764	0.2
203.07042	100.0
204.07397	1.0
213.09096	0.8
221.08096	0.6
276.67596	0.2
277.12335	0.2
281.08096	0.3
281.11804	0.3
305.11575	0.6
323.12796	28.2
324.13181	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.128
Annotation	4'-Hydroxyisolonchocarpin
Peak:m/z	Relative Intensity
55.01865	0.4
65.03931	0.3
69.07053	0.2
76.41670	0.2
77.03923	0.3
79.05486	0.5
81.07071	1.2
84.96050	0.2
91.04972	0.3
91.05495	3.1
93.07043	0.4
95.01331	1.1
97.94096	0.2
98.20747	0.5
98.97625	0.2
100.66045	0.2
105.03387	0.9
105.07036	0.6
107.04969	0.6
107.08624	0.3
107.18030	0.2
109.06536	1.2
117.07018	0.4
119.04951	2.6
119.08598	1.9
121.02880	0.4
123.00804	0.4
128.06203	0.6
129.07011	2.2
131.04951	0.3
131.08578	0.4
132.05717	0.3
133.02879	1.5
133.06493	0.5
135.04419	0.3
137.02339	0.4
141.06892	0.3
144.05717	1.0
145.06493	0.2
147.04425	5.1
147.08054	4.1
149.02362	3.5
151.03925	1.7
157.06459	0.9
158.07307	0.2
160.05234	0.8
161.02359	11.7
161.05991	4.0
163.03900	2.2
167.03416	2.6
171.04259	0.2
175.03955	1.9
175.07568	2.8
185.05984	4.9
188.04713	0.6
193.08562	0.2
197.05989	0.3
203.07047	100.0
204.07362	1.4
216.35046	0.2
221.08081	0.6
230.07704	0.2
233.15585	0.2
239.07095	0.3
256.11691	0.2
265.54291	0.2
267.06543	0.6
281.08435	0.2
281.11530	0.4
305.11761	0.2
323.12802	30.3
324.13211	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1281
Annotation	Kanzonol B
Peak:m/z	Relative Intensity
53.03945	0.8
55.01876	1.8
55.05507	0.7
56.96567	1.4
57.03506	0.3
65.03936	0.7
67.05500	1.5
68.99790	1.7
69.03417	1.1
69.07069	2.9
69.17140	3.6
73.02918	0.4
79.05491	0.6
79.60555	0.4
81.02985	0.7
81.03425	9.0
81.07045	1.5
83.08653	0.5
91.05484	1.9
93.07024	1.0
95.04969	0.8
95.08598	1.1
96.02103	1.0
97.06532	0.3
98.21547	0.6
98.97598	1.0
103.05463	0.7
105.03400	0.5
105.07056	1.0
107.04982	1.9
107.08616	0.4
109.02887	1.0
109.06513	0.4
109.10186	0.6
111.04434	1.3
115.05467	0.8
117.03388	0.7
117.07040	0.5
119.04952	1.7
123.04433	8.2
123.11733	0.4
128.06212	1.8
129.07022	1.5
131.04988	0.4
131.08583	0.4
133.10091	0.5
135.04434	1.7
137.02347	100.0
137.09598	0.4
139.03885	1.3
141.06993	0.6
142.07793	1.2
143.04933	0.9
143.08565	1.0
144.05719	1.1
145.02898	0.5
145.06506	1.7
146.07254	0.4
146.99745	0.4
147.04401	3.0
149.06012	0.5
152.06195	2.9
153.07013	0.7
155.03401	3.6
155.06071	0.6
155.08545	0.9
157.06496	2.4
157.10132	1.2
158.07292	1.3
159.04494	0.5
159.08101	0.7
161.09593	1.2
163.03915	11.3
165.07018	2.9
167.08554	4.8
169.06491	1.3
170.07317	2.8
171.04433	1.5
171.08069	8.3
173.09650	0.6
181.06456	1.6
183.08047	1.7
185.06021	0.9
185.09615	3.7
187.07593	0.5
187.11209	1.4
189.09178	0.4
193.06337	0.4
195.08070	20.7
196.08769	0.6
197.06003	2.0
198.06744	2.6
203.07004	0.4
211.07585	2.0
213.09123	19.3
226.06213	0.5
239.07016	1.6
247.07492	0.6
261.09360	0.5
262.09729	0.4
263.10776	0.6
267.06531	0.5
267.13843	1.2
275.04135	0.5
275.07123	0.5
277.00668	0.5
277.12277	0.8
281.08130	0.6
281.11911	0.5
287.10663	1.9
289.08533	0.8
290.09375	1.4
293.08160	0.4
295.13275	1.4
305.11765	7.7
308.10382	1.7
323.12796	50.2
323.18616	1.3
324.13168	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1282
Annotation	4'-Hydroxyisolonchocarpin
Peak:m/z	Relative Intensity
51.97169	0.2
52.89334	0.2
53.23496	0.2
55.01867	0.4
65.03942	0.4
69.74415	0.8
69.74822	0.4
79.05512	0.4
81.07047	1.1
91.05484	2.8
93.07041	0.3
95.01335	1.1
95.04981	0.3
98.20825	0.3
105.03403	0.5
105.07030	0.8
107.04940	0.6
107.08611	0.4
109.06515	1.2
117.07013	0.4
119.04957	3.2
119.08580	1.6
121.02844	0.4
123.00788	0.5
128.06242	0.4
129.07033	2.2
131.08563	0.7
133.02875	1.7
133.06493	0.7
137.02307	0.4
143.77371	0.2
144.05653	0.7
147.04420	5.3
147.08054	3.8
149.02348	4.7
151.03928	1.5
157.06464	0.8
159.08080	0.3
160.05225	0.6
161.02359	13.1
161.05991	4.5
163.03931	2.4
167.03426	2.4
169.06429	0.4
173.95850	0.2
175.03946	2.0
175.07555	2.9
179.03476	0.4
185.05994	4.9
188.04718	0.8
192.04077	0.3
203.07048	100.0
204.07393	1.0
211.68799	0.3
213.09102	0.3
221.08090	0.4
281.11642	0.4
305.11887	0.3
323.12811	35.7
324.13107	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.128
Annotation	4'-Hydroxyisolonchocarpin
Peak:m/z	Relative Intensity
55.01902	0.9
56.96595	0.5
57.03446	0.4
65.03967	0.5
67.05518	0.4
69.07076	2.2
70.67476	0.8
79.05536	0.8
79.61195	0.3
81.07063	1.9
91.05486	5.1
93.07034	0.4
95.01352	1.1
95.04977	0.4
98.97607	0.6
103.05498	1.0
105.03386	1.5
105.07060	0.8
107.04987	0.8
107.08620	0.3
109.06519	1.6
113.89120	0.3
115.05457	1.2
117.07040	0.7
119.04956	3.8
119.08586	2.5
120.02063	0.4
121.02876	0.6
121.06599	0.4
123.00825	0.7
128.06288	1.1
129.07013	2.9
131.04947	1.0
131.08594	0.6
132.05750	0.5
133.02866	2.2
133.06496	0.8
133.10095	0.3
135.04443	0.5
137.02345	3.4
141.07001	0.7
144.05740	0.9
145.06514	0.3
147.04430	7.6
147.08055	5.3
149.02348	5.4
151.03943	2.5
153.01872	0.9
153.06989	0.6
155.08588	0.7
157.02856	0.5
157.06500	2.0
158.07314	1.9
160.05159	0.6
161.02353	14.6
161.05980	5.4
163.03951	2.4
164.92133	0.3
165.06990	1.6
167.03406	4.0
169.06505	0.8
171.08073	1.1
175.03923	2.7
175.07562	3.7
183.08081	1.5
185.05992	5.3
188.04758	0.7
193.06450	0.4
197.06009	1.0
199.07436	0.4
203.07045	100.0
204.07378	0.8
211.07607	2.1
221.06024	0.6
221.08043	0.9
224.04643	0.6
237.05353	0.3
239.07048	7.4
246.34323	0.3
249.05429	0.3
250.06206	0.7
252.04105	0.3
255.06482	2.1
263.06839	0.3
267.06537	21.7
281.08051	0.8
281.11688	0.4
299.29639	0.3
305.11844	0.4
323.09253	2.6
323.12698	34.8
324.12866	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1281
Annotation	Kanzonol B
Peak:m/z	Relative Intensity
50.25680	0.6
51.87626	0.5
55.01877	1.6
55.05510	1.6
57.07037	0.6
61.52864	0.5
65.03944	0.8
67.05496	2.1
68.99792	1.2
69.07052	1.3
69.20082	1.9
69.20496	3.2
79.05496	1.5
81.03420	5.1
81.07076	2.7
91.05508	3.0
93.07073	1.1
95.01331	0.6
95.08631	1.1
97.10199	0.7
105.03453	0.6
105.07028	1.4
107.04951	2.8
107.08603	1.1
109.02838	0.7
109.06494	0.7
109.10190	1.1
116.98672	0.7
117.07066	0.6
119.04948	3.4
119.08582	1.3
121.10168	1.4
123.00798	0.6
123.04410	1.8
123.11714	0.8
124.94166	0.5
127.03985	1.0
128.06256	1.4
129.07008	2.1
131.04907	0.6
133.06499	0.8
135.04434	1.4
137.02353	86.3
141.07040	0.5
142.07764	1.2
143.04892	0.9
143.08498	0.7
144.05782	0.6
145.06476	1.0
147.04427	6.0
147.08060	1.8
149.02391	1.5
152.06252	2.4
154.69191	0.6
155.03436	1.5
157.06494	2.2
157.10156	1.1
158.07304	1.2
161.02344	4.2
161.05984	1.8
161.09583	0.9
163.03922	9.2
165.07071	1.5
166.07899	0.9
167.03462	1.2
167.08624	3.6
169.06551	1.2
170.07291	1.4
171.04469	1.8
171.08072	7.9
174.03261	0.6
175.03960	0.9
175.07607	1.4
181.06538	1.0
183.08087	1.6
185.06032	2.1
185.09666	2.8
195.08083	16.6
197.06017	2.2
198.06769	2.8
203.07056	26.6
213.09126	18.2
232.85504	0.6
267.06573	0.8
277.12393	1.6
290.09314	1.5
305.11734	4.1
308.10379	1.8
323.12808	100.0
324.13065	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.4
55.01884	2.5
55.33091	2.2
56.96593	2.8
57.03436	5.6
61.02927	4.1
65.12271	2.2
68.47536	2.1
69.03441	16.7
69.07102	2.9
70.06599	5.3
70.12449	4.0
70.12794	9.5
71.05017	3.2
73.02936	3.2
78.55241	2.1
79.05527	4.0
81.03439	7.1
85.02915	26.2
86.09724	5.1
86.99080	2.4
91.05508	8.6
97.02921	14.5
98.97585	3.4
99.04510	2.9
101.00902	14.3
103.33699	2.4
105.07071	9.0
109.02905	4.4
111.04486	2.8
111.59771	2.8
116.98698	3.2
117.03421	2.1
119.01936	34.1
119.05019	4.2
119.49770	2.2
123.04445	2.7
127.03034	2.3
127.03949	5.7
133.06488	5.1
137.03038	9.5
139.03940	9.9
143.01073	5.5
145.02931	2.6
147.04504	6.2
151.04005	4.5
161.02122	54.8
161.03354	3.6
163.04041	4.6
177.02528	3.0
177.05571	6.7
181.04973	3.8
185.04234	94.5
187.03932	2.3
191.05602	2.3
195.05145	4.8
196.27455	2.3
203.05243	25.1
209.06648	9.9
212.05009	2.9
215.08972	2.3
219.05161	9.4
222.27831	2.3
233.06596	27.7
237.06096	25.5
251.07661	21.9
255.07306	5.5
261.06027	3.2
269.04645	5.1
279.07147	10.9
281.05124	3.0
287.05783	3.2
297.08377	9.6
323.07507	100.0
323.11719	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1279
Annotation	4'-Hydroxyisolonchocarpin
Peak:m/z	Relative Intensity
50.01585	0.1
50.02985	0.1
51.02375	0.2
53.00304	0.1
55.01872	0.4
57.03436	0.2
57.98028	0.1
61.22121	0.1
61.63430	0.1
65.03946	0.3
67.05502	0.1
69.07052	0.3
69.52008	0.6
77.03928	0.3
79.05481	0.8
81.03413	0.2
81.07063	1.5
91.05483	4.3
93.03365	0.1
93.07043	0.3
95.01342	1.1
95.04934	0.3
98.97622	0.2
103.05481	0.3
105.03388	1.5
105.07030	0.9
107.01315	0.1
107.04951	0.6
107.08584	0.3
109.02946	0.1
109.06520	1.7
115.05470	0.4
116.06222	0.3
117.03368	0.1
117.07006	0.6
119.04948	4.0
119.08581	2.2
120.02047	0.2
121.02852	0.5
121.06447	0.1
123.00794	0.8
123.04416	0.1
128.06213	1.1
129.07008	2.5
131.01289	0.3
131.04948	0.3
131.08588	0.5
132.05743	0.6
133.02863	2.3
133.06480	0.7
135.04404	0.3
135.08037	0.2
135.81921	0.1
137.02347	0.3
141.01819	0.1
141.06967	0.3
144.05693	0.7
145.02817	0.2
145.06459	0.2
147.04416	6.7
147.08047	5.5
149.02344	5.9
151.03915	1.9
153.05441	0.1
155.06023	0.2
157.06483	1.5
159.08057	0.2
160.05180	1.0
161.02347	14.0
161.05975	5.1
163.03903	2.3
167.03409	3.2
167.04556	0.1
169.06474	0.4
169.07715	0.2
171.04327	0.1
174.03113	0.2
175.03931	2.3
175.07547	3.2
179.03456	0.1
185.05984	5.3
188.04727	0.7
192.32738	0.1
197.05954	0.3
199.07681	0.1
201.05438	0.1
203.07031	100.0
204.07396	1.0
206.05667	0.1
221.08069	0.6
239.06992	0.2
255.06528	0.4
267.06531	0.3
277.12213	0.1
281.08072	0.2
281.11734	0.4
293.08331	0.1
305.11600	0.2
323.12781	22.7
324.13123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.15
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85257	2.2
53.03945	3.5
55.01876	7.4
55.05505	5.0
57.03437	6.9
61.07685	2.8
67.05507	8.0
67.08973	2.3
69.03441	8.4
69.07062	4.7
70.28329	3.6
70.28707	8.5
76.02222	4.3
79.05506	26.3
81.07063	33.8
84.04519	5.0
85.02915	8.8
86.09705	7.6
90.43471	2.4
91.05489	15.2
93.07050	9.9
95.01334	11.9
95.04983	11.4
95.08576	3.5
97.06533	21.0
105.07022	6.3
107.04981	6.3
107.08595	5.0
109.06526	21.0
109.10217	3.1
111.04427	3.7
111.08064	4.7
113.02436	3.7
114.62322	3.1
117.07042	5.3
119.04915	4.9
119.08595	11.9
121.06499	6.7
123.04423	4.4
123.08107	4.3
125.06010	5.5
131.08604	3.8
132.10197	2.7
134.67155	2.5
135.04398	3.6
135.08052	5.2
137.05971	7.1
137.09628	3.4
139.03935	11.9
139.07599	4.6
144.82518	2.4
145.06516	3.7
147.08034	9.5
149.06038	4.0
149.81630	2.8
154.88130	2.2
155.07036	5.0
158.02794	3.8
159.02948	3.1
163.07556	9.6
165.09128	21.1
167.06947	3.6
175.07657	4.1
181.08563	6.5
183.10144	4.6
191.07048	3.8
193.06691	4.6
193.08611	25.4
197.04475	6.0
199.09630	16.9
209.08130	11.4
211.09651	17.7
227.09157	9.3
230.05458	4.1
237.07652	7.6
255.06007	5.5
255.08662	100.0
258.04996	4.3
269.10031	3.2
273.09610	5.2
322.06412	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	323.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89930	7.7
63.87030	7.6
65.27544	8.0
69.52733	57.2
76.93821	8.7
94.04983	7.7
164.61757	8.7
323.07382	100.0
323.11899	31.2
342.19785	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	322.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.6
56.05034	2.6
56.96559	1.3
58.99586	8.1
64.24704	0.8
69.03417	1.3
70.06593	2.1
70.99149	2.1
72.04507	2.3
72.08151	1.2
76.02233	30.0
83.32464	0.8
84.04040	1.6
84.04510	20.0
84.08157	1.0
85.02914	1.2
86.99043	2.0
88.02227	2.1
90.05045	1.5
90.05563	18.1
100.02187	1.1
104.01712	5.5
116.01699	10.3
120.08112	2.6
121.02889	1.0
125.05967	0.9
130.03227	1.0
130.05008	6.0
130.06541	1.4
142.03185	4.9
158.02727	31.4
160.07585	1.1
162.05307	1.5
175.05370	4.5
175.08662	1.2
176.03758	13.5
177.05536	0.9
177.81555	0.8
181.79643	0.9
185.04268	1.3
192.07169	0.8
193.06430	31.5
212.12520	0.9
215.04964	1.8
233.05942	7.5
241.06537	0.8
271.08984	0.8
286.12738	1.2
304.13376	2.0
305.11130	6.7
322.13760	100.0
323.07416	1.0
323.14078	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
55.01859	8.2
55.05500	5.3
56.96552	4.5
57.03431	8.3
58.99574	4.2
67.05495	6.4
69.03433	11.7
69.07063	7.4
69.17674	2.6
69.18082	16.8
70.72839	1.8
71.04980	2.1
76.02234	19.5
79.05494	34.7
81.07063	44.5
83.04980	5.9
84.04520	13.1
85.02924	8.6
85.60364	2.0
86.09695	7.7
87.04462	2.0
89.03945	1.7
90.05567	10.1
91.05496	15.9
93.07050	8.4
95.01331	13.0
95.04966	11.2
95.08619	4.0
97.06529	17.1
98.20750	3.9
98.97578	3.8
103.05448	2.3
104.01650	3.2
105.07020	8.9
107.04959	5.6
107.08592	6.5
109.02835	1.9
109.06528	26.9
109.10173	2.5
111.00803	2.9
111.04426	3.8
111.08097	2.4
113.02370	5.6
116.01656	7.4
117.07001	8.2
119.04955	6.7
119.08603	11.6
121.06496	8.8
123.04414	3.2
123.08070	3.7
125.06005	4.7
129.06975	4.5
130.04980	2.9
131.08582	6.5
131.41951	1.7
132.10260	2.6
133.01640	1.9
133.06546	2.2
133.10086	2.5
135.08031	5.7
137.05934	3.9
139.03903	9.6
139.07530	3.3
141.01836	5.0
141.05585	2.4
142.03198	3.4
145.06468	3.9
147.04399	2.7
147.08049	11.0
149.05983	5.1
149.09648	2.5
151.04002	1.8
151.07552	4.5
153.01918	2.0
155.07063	4.4
158.02733	16.8
159.02879	2.4
163.07539	12.8
165.09160	22.6
166.12794	1.8
167.06970	4.7
169.33365	1.8
175.07526	3.8
176.03801	8.4
177.05495	2.6
181.08600	8.3
183.10208	4.6
185.87991	1.6
186.75732	1.9
190.87119	1.8
191.07047	4.5
193.06459	19.8
193.08617	24.5
197.04454	6.6
199.09645	18.0
209.08124	12.1
211.09676	17.0
227.09209	9.4
233.05872	4.0
237.07555	6.0
255.08665	100.0
258.04822	3.2
269.10153	5.1
273.09726	6.7
276.19501	2.6
287.11301	2.0
304.13745	3.0
322.06503	7.7
322.14761	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	322.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.8
56.70734	0.7
56.96295	1.3
56.96569	22.6
57.03426	0.9
59.71997	0.7
64.42562	0.6
65.88271	0.7
67.05491	2.3
70.40339	1.8
70.40704	1.5
70.98110	3.6
71.90896	0.7
71.95260	2.2
74.60757	0.7
81.07043	2.0
88.99161	1.6
91.05497	1.1
93.07028	1.6
93.66270	0.7
97.02876	1.2
107.04944	1.1
109.10166	1.8
110.10513	1.1
127.23148	1.0
137.02327	5.5
139.00656	2.2
141.02226	1.3
147.04353	1.6
151.00713	1.2
153.02248	4.6
155.03751	0.8
157.01749	1.8
157.12611	0.8
159.03357	0.7
161.02245	0.7
163.03966	1.1
165.02228	1.7
167.03813	3.4
169.01744	3.2
171.03319	4.7
183.03262	1.2
185.04840	3.9
187.02690	1.1
189.04301	1.7
195.06856	1.5
199.06412	1.3
203.07179	6.3
211.06453	3.2
213.06120	0.9
213.08023	2.1
221.08505	2.4
223.06482	2.1
223.10025	3.1
229.07454	6.0
230.07813	2.0
231.06889	5.0
231.08926	0.7
237.08044	2.3
239.09586	3.2
241.11214	1.6
247.08533	3.3
248.09099	1.3
249.07988	5.9
255.09007	0.9
267.06546	1.8
267.09045	25.5
269.10690	2.9
270.10870	0.9
270.17856	0.9
281.10602	36.5
285.10135	9.8
287.11581	1.3
290.10635	2.2
299.11685	100.0
300.11871	1.0
317.12732	7.0
322.13278	14.1
323.12964	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28074	0.2
56.96572	1.3
60.92660	0.2
70.86930	0.4
70.87273	0.4
71.95243	0.3
76.88165	0.2
77.53513	0.2
78.11200	0.2
91.90826	0.2
98.97593	7.0
99.97939	0.2
101.00893	0.7
107.64192	0.2
110.67390	0.2
113.03506	0.4
116.98637	3.4
119.01937	1.8
122.97826	0.2
134.99652	1.1
140.98865	0.7
142.03529	0.2
158.99889	2.0
177.00967	11.9
178.01099	0.3
182.99792	2.3
183.99602	0.2
196.90996	0.3
200.02644	0.3
201.00940	9.0
201.02847	0.5
202.01234	0.3
207.31606	0.2
214.92052	0.6
216.98770	0.5
219.02022	100.0
220.02145	3.0
221.02420	0.6
232.93266	0.2
233.03654	0.3
234.99905	0.5
236.99484	1.5
238.92055	0.2
238.95592	2.2
242.03619	5.0
254.93361	0.4
256.93234	0.8
256.96631	7.4
257.96756	0.6
258.99850	1.2
260.00046	0.3
261.03091	0.9
262.95490	0.4
272.94553	0.6
274.94156	1.8
274.97659	1.5
276.04892	0.2
277.00931	1.2
278.01151	0.5
279.98264	1.1
280.96548	1.9
283.00055	0.2
290.95261	0.3
292.95184	0.7
296.94519	0.3
298.18701	0.4
298.97705	36.0
299.19064	0.3
299.97861	1.6
303.98041	0.3
312.99365	0.2
314.95755	0.3
316.95212	0.7
316.98679	0.4
317.94965	0.4
318.95139	0.3
319.43970	0.7
319.94092	0.4
321.99252	3.0
325.92154	0.4
328.44489	0.5
328.94217	0.3
334.92883	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73819	0.5
55.01873	0.6
55.05508	1.4
56.96571	1.2
67.05509	1.4
69.03454	1.1
69.07059	1.5
69.87806	1.1
69.88215	2.0
79.05511	1.2
81.07056	3.4
83.05000	0.6
83.08612	0.5
84.04486	0.7
91.04664	0.6
91.05482	4.6
93.07023	3.0
95.04958	2.6
95.08620	2.4
97.10181	0.7
98.21451	0.7
98.97592	1.4
103.05454	0.8
105.07042	2.4
107.08591	3.0
109.06558	0.6
109.10155	2.1
115.05421	3.2
116.98679	0.7
117.05782	0.8
117.07020	3.9
118.06550	55.9
119.04977	1.1
119.07346	3.5
119.08590	1.4
121.06536	0.6
121.10192	1.2
123.11723	0.8
131.08580	1.0
132.08084	0.8
133.10139	1.8
134.09660	100.0
135.11679	1.1
136.74144	0.5
137.79117	0.6
140.52896	0.5
142.06523	5.1
143.07332	4.7
144.04388	1.0
144.08090	23.1
145.02844	0.7
145.06448	0.7
145.10114	1.3
146.06017	99.1
147.04436	3.7
147.11707	1.1
149.13200	0.6
155.05983	1.2
158.02655	0.7
160.07614	1.9
161.09637	0.8
170.06018	7.3
174.09158	0.7
177.05499	1.2
182.04601	1.1
188.07076	93.9
189.07353	0.7
192.10207	2.2
217.08571	0.6
261.09238	0.7
263.07108	0.7
289.08557	0.9
303.23105	1.0
306.08957	0.6
313.81946	0.5
320.64679	1.5
321.06644	0.8
321.10971	3.0
321.15961	11.2
321.24271	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1451
Annotation	Formylfusarochromanone
Peak:m/z	Relative Intensity
51.14266	2.4
53.03952	2.3
54.98991	2.3
55.01879	3.4
55.05518	3.6
56.94300	2.9
56.96575	12.2
58.99592	4.5
59.43926	2.4
65.03962	2.5
67.05515	9.8
69.03467	3.6
69.69787	10.4
70.06588	5.4
71.05000	4.8
72.04509	3.2
72.08161	3.2
73.02927	3.3
76.02255	20.7
79.05498	3.0
81.07066	3.7
81.65306	2.3
84.04510	22.2
84.08159	4.5
85.02925	6.6
86.09737	3.1
89.06023	2.5
90.05561	10.8
94.06588	7.2
95.04979	5.7
97.02898	4.7
98.97611	7.3
108.08140	10.4
110.06010	3.0
110.88301	2.7
116.01677	10.8
116.98643	3.7
119.04977	2.9
120.08138	7.6
122.06046	10.7
127.05045	3.4
129.92520	2.5
130.05008	8.3
134.06020	6.0
136.07600	11.1
137.02205	2.6
138.05521	26.4
138.09163	6.0
138.45618	2.6
139.03906	5.9
140.01724	3.1
145.08669	7.3
147.04442	7.6
148.07625	5.4
152.07082	6.0
153.05463	9.1
156.06570	10.8
158.02739	18.9
158.09650	4.6
162.05455	2.7
163.04024	3.2
164.07104	6.9
166.08667	10.3
174.07881	6.3
176.03816	8.0
182.08331	3.5
184.11337	3.6
189.10345	4.6
191.04895	5.0
193.06421	18.6
195.09222	5.9
196.09959	12.9
197.10826	3.9
201.10283	2.6
202.10858	3.4
203.11781	5.7
206.08408	25.7
210.11591	2.6
211.12337	14.5
214.08669	6.0
215.09433	3.2
215.11946	2.7
220.10031	4.0
221.10747	9.0
223.08774	7.3
224.09460	11.0
225.10323	3.2
227.08171	3.8
232.09694	3.5
237.10284	7.7
238.11018	13.4
239.02380	3.2
239.11816	26.3
240.09991	3.8
243.11360	6.2
244.12085	3.6
257.03430	4.3
257.12930	17.3
258.11337	7.0
267.11295	61.6
272.11542	4.2
275.13910	9.8
276.12357	8.4
285.12384	100.0
285.15591	4.9
290.12701	4.1
290.82599	2.4
303.13416	72.6
304.11877	5.1
321.11258	7.4
321.14526	41.7
322.13834	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	321.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.05489	1.8
64.35294	1.5
67.05510	13.7
69.44460	7.9
72.14426	1.2
79.05471	2.1
81.07040	3.7
84.30323	1.2
91.05478	4.0
91.40401	1.2
94.06575	13.5
107.08604	1.6
117.07053	1.3
118.06566	2.3
119.08509	1.4
121.02853	1.7
122.06035	41.7
130.06537	2.5
130.08687	2.0
130.98274	1.9
132.08087	2.9
136.07593	67.2
144.08046	2.3
146.06024	10.0
164.07082	100.0
165.07272	1.6
175.03915	1.9
182.08141	70.2
186.12733	2.0
188.07065	8.4
203.03383	2.7
235.11389	1.5
242.11732	3.8
255.23776	1.4
258.11172	1.6
259.14468	11.5
304.11874	4.5
321.07574	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	321.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12138	1.1
53.03958	1.0
55.05516	1.4
55.72023	1.0
67.05504	10.3
69.53905	6.7
73.34573	1.0
79.05504	2.4
81.07057	1.7
81.99480	1.0
91.05506	2.0
93.07056	2.9
94.06579	11.1
95.04992	1.0
109.91824	1.0
118.06554	2.2
119.04939	1.0
119.08681	1.4
122.06042	32.6
130.06541	4.8
130.08664	1.7
132.08109	2.4
133.10092	1.1
135.11526	1.2
136.07587	63.2
140.07043	1.4
144.08058	2.2
146.06007	6.2
164.07076	100.0
165.07484	1.2
182.08139	74.2
188.07100	8.1
203.03384	1.2
242.11781	3.9
259.14453	10.6
304.12088	1.4
321.07584	7.6
321.14670	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27810	0.8
57.03432	0.9
60.43723	0.9
67.05511	10.4
69.37528	6.2
78.12046	0.8
79.05506	1.7
81.07066	2.2
84.08131	1.0
85.02917	1.0
91.05510	1.8
93.07037	1.6
94.06589	9.6
95.05018	1.1
95.08666	0.9
105.07040	1.0
107.08613	1.0
108.08125	1.1
118.06564	2.8
119.08645	1.1
121.10175	1.2
122.06045	26.5
130.06531	4.5
130.08664	2.6
131.08621	1.2
132.08075	1.4
132.52356	0.9
136.07593	55.1
140.07060	1.6
144.08102	2.8
145.10159	0.9
146.05998	9.5
147.04445	1.4
159.11716	0.9
164.07086	100.0
165.07634	0.9
166.98058	0.7
175.03929	1.0
182.08148	68.2
186.12827	1.3
188.07071	9.2
203.03407	2.0
242.11792	4.5
247.67197	0.8
259.14410	11.9
321.07617	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	321.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43242	0.4
70.33531	1.7
95.95663	0.5
101.00884	0.6
126.66510	0.4
133.92041	0.4
140.80670	0.5
140.87720	0.4
159.06308	0.6
212.22005	0.4
219.07159	0.6
231.06946	0.5
251.94443	0.5
321.11597	100.0
322.11911	1.2
325.26224	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48377	0.4
55.00367	0.5
58.99841	0.9
61.02907	1.7
66.04479	0.4
68.98294	1.2
69.72785	0.4
70.99854	3.2
71.54062	0.9
73.01420	2.5
73.02921	0.5
77.00915	1.2
82.99395	0.3
82.99828	8.9
83.00285	0.6
84.04481	0.5
84.08175	0.6
85.01403	2.3
86.99328	1.3
89.00882	1.2
91.02448	3.3
94.99839	1.2
97.01390	4.0
97.02892	0.8
99.02939	0.6
100.00085	0.9
101.00886	74.9
102.00957	1.0
103.00638	0.6
103.02457	3.9
105.00394	0.5
105.04005	0.8
105.86707	0.4
108.97740	0.5
109.01360	0.7
109.03481	0.9
111.02950	0.5
113.00243	0.3
113.00872	17.9
115.02438	23.3
117.04003	5.1
119.01924	100.0
120.02059	1.7
121.03493	0.8
123.05081	0.6
124.02524	0.7
125.00842	1.3
126.98782	2.5
127.02407	3.7
129.00374	0.9
129.03976	7.1
131.01912	32.4
133.03473	45.1
134.03571	1.0
135.05040	3.3
137.00847	1.8
137.02962	10.7
137.04019	0.6
138.01663	0.4
139.02432	1.3
141.00319	0.5
141.03996	1.9
142.03476	0.9
143.01907	23.1
143.05524	1.1
144.99841	4.9
145.03470	12.8
147.01373	2.0
147.05083	7.5
149.02959	5.4
151.04523	5.1
153.04002	0.9
155.01898	12.3
155.05475	0.6
156.02701	2.0
157.03471	8.7
159.01387	2.7
159.05034	12.4
159.06352	0.8
160.02287	0.5
161.02966	30.0
161.06636	1.2
162.02972	0.6
163.04526	2.0
165.06168	0.5
167.01859	1.0
168.99829	19.2
169.03523	1.2
171.01398	10.7
171.02740	0.8
171.05026	15.1
172.99367	1.0
173.02969	22.5
173.06563	2.4
175.00967	1.3
175.04532	22.4
177.02477	3.3
177.06088	4.9
179.04054	1.1
180.99825	0.5
183.01433	2.1
183.04997	2.8
185.02931	3.5
185.06609	1.3
187.00888	40.2
187.04474	6.2
188.00958	0.5
188.02484	0.4
189.00749	1.0
189.02457	19.7
189.06088	7.9
191.04027	18.2
191.07649	0.7
192.04384	0.5
193.03625	0.9
193.05598	0.5
195.05214	0.7
195.07193	1.3
196.99315	12.6
197.03009	1.3
197.06683	0.7
199.00943	2.6
199.02576	0.4
199.04594	1.4
201.02437	8.1
201.06082	4.7
203.04027	6.8
203.07712	1.1
205.01961	11.3
205.03870	1.0
205.05649	0.8
207.03528	1.3
210.02534	0.6
211.00887	1.0
211.04646	0.8
213.06073	3.6
215.00375	48.0
216.00601	0.9
217.02000	3.3
217.05612	1.4
218.03633	0.6
219.03571	7.2
219.07141	8.6
221.05081	15.2
221.91730	0.5
222.05252	0.5
225.06186	0.8
227.04120	1.2
227.54034	0.5
229.01942	29.8
231.03523	4.6
231.07162	7.0
233.01532	4.8
233.05067	22.0
233.08817	1.2
234.05157	0.5
235.06699	1.4
238.02054	0.9
243.07260	1.9
244.08136	0.7
245.05089	3.4
245.09018	0.5
246.05528	0.6
247.03012	78.9
248.03293	2.0
249.04556	3.6
251.06244	1.0
253.07808	1.9
255.07237	1.3
259.06705	0.6
261.04672	4.0
261.08295	19.4
265.04047	9.7
265.06570	0.7
267.09256	0.9
270.04700	1.9
273.01245	0.4
273.04654	0.5
273.08295	1.4
279.05777	4.9
279.09332	20.8
289.04044	12.3
292.59128	0.5
297.06851	0.5
303.05777	0.9
307.05212	1.2
321.06705	8.4
321.11526	94.3
322.11472	1.4
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	Flustramine E
Peak:m/z	Relative Intensity
69.55637	2.9
69.56042	5.0
79.15667	0.9
92.65603	1.1
98.21410	1.5
101.00889	2.4
119.01959	2.3
120.53182	1.1
159.05043	1.3
171.05017	1.9
215.00516	1.1
247.03194	1.5
261.08432	1.5
279.09253	2.3
321.11664	100.0
322.20059	1.1
323.83591	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03612	0.8
56.96560	4.0
58.99907	1.2
64.46472	0.8
68.98309	2.3
69.03410	0.9
70.99857	2.0
71.53344	0.8
71.53825	1.0
81.01926	1.1
81.99084	1.1
82.99824	5.5
84.04496	1.2
84.08151	1.0
85.01389	1.5
85.02899	1.3
86.99364	1.3
89.00922	1.1
93.95300	0.8
94.99829	1.2
95.18955	0.8
97.01382	4.2
97.25419	0.8
98.97587	5.9
99.02917	1.1
100.00094	1.2
101.00889	38.7
102.01001	0.8
103.02450	3.8
109.70792	0.9
110.97564	2.1
111.02976	0.9
112.99130	1.4
113.00879	16.5
115.02446	18.1
116.98624	1.5
117.04005	7.1
118.73700	0.8
119.01930	35.9
121.46316	0.9
125.00864	2.9
126.74855	0.9
127.02428	5.3
127.03939	0.9
129.02267	1.6
129.04001	3.6
131.01924	25.0
133.03474	19.8
135.05043	4.4
137.00861	7.1
137.02982	3.4
138.01689	1.2
139.02419	1.0
141.04001	3.6
143.01909	42.3
144.99925	0.8
145.01660	2.4
145.03467	15.6
147.01404	1.4
147.03313	1.2
147.05054	2.9
149.02982	1.5
151.04530	2.3
153.04013	2.7
155.01907	32.0
155.05550	1.3
156.02602	4.3
157.03482	5.9
158.99707	1.4
159.03154	1.5
159.03490	1.3
159.05042	30.4
159.06343	1.6
161.02969	33.2
163.02808	1.2
163.04533	5.0
168.99832	4.3
171.01434	2.0
171.05032	35.5
173.02965	18.7
173.06598	7.2
175.04529	9.4
177.04376	3.2
177.06108	9.4
183.05118	4.5
183.06448	0.8
185.02907	5.8
185.06635	3.6
187.00896	9.9
187.04538	3.3
189.02448	5.2
189.06087	16.2
191.04048	4.2
191.07681	1.9
193.38309	0.9
195.05225	2.5
195.07127	1.6
196.99367	4.2
197.02985	1.7
201.02499	1.3
201.04320	1.5
201.06078	12.8
203.04008	16.2
203.07642	2.4
205.01962	1.8
205.03755	1.0
213.06105	7.6
215.00386	12.3
219.01799	2.2
219.07196	8.2
221.05084	37.6
222.05322	0.9
223.04727	1.1
229.01953	8.3
231.03325	0.9
231.07178	5.7
233.05132	4.2
237.02815	2.0
243.07161	6.9
245.05141	5.9
247.03027	18.5
249.04678	1.2
255.07135	1.1
261.08221	59.5
265.04068	3.2
273.08380	1.1
279.09271	64.8
280.09433	1.7
289.04123	2.1
321.11383	100.0
322.10599	2.0
339.09998	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.067
Annotation	Unknow
Peak:m/z	Relative Intensity
69.99146	17.0
82.99866	4.1
96.92238	5.2
101.00893	24.9
105.07417	3.6
112.89619	100.0
114.89367	23.2
119.01940	31.4
119.63699	3.4
127.02383	6.4
137.02989	3.5
143.01912	11.1
145.03455	15.1
150.23149	3.7
157.03494	3.3
159.03215	5.5
159.07706	4.1
161.02974	22.1
171.01379	16.6
173.04164	3.8
188.91177	9.0
189.02452	31.3
189.03979	6.2
201.02443	12.1
203.04097	3.8
210.89455	8.6
214.96523	5.7
219.03517	5.3
226.86784	11.5
233.05078	14.1
247.91129	3.7
256.97662	29.6
257.30789	3.8
261.04620	13.7
274.94171	7.7
278.91986	5.5
279.05948	3.5
293.65430	3.4
298.98584	7.2
303.06027	3.8
306.69199	4.1
315.11966	3.3
320.93692	5.3
320.97595	11.2
321.05841	5.1
324.76846	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	320.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
56.96561	6.8
57.03426	1.8
61.02925	3.5
62.98133	1.6
69.03419	4.3
70.00781	7.3
70.06591	11.6
72.08162	3.1
73.02924	2.1
81.03413	3.2
82.06590	2.7
84.04515	7.5
84.08155	3.1
85.02924	8.8
86.09717	3.6
94.06586	10.5
96.04503	12.8
96.08136	4.6
97.02902	5.6
98.06067	12.3
98.21000	3.7
98.97571	6.8
101.98936	1.6
102.05538	5.6
104.39141	2.0
108.08101	2.8
109.02892	8.2
110.07113	1.8
114.05539	27.7
122.06043	4.5
126.05476	1.6
127.03976	2.1
131.00267	1.9
135.07994	1.8
136.07564	1.6
138.09177	10.6
140.05977	2.1
140.07074	55.6
141.05469	5.3
158.08145	100.0
168.10219	3.0
173.12848	2.0
191.02299	2.2
195.05000	4.8
221.09143	4.2
232.83180	1.7
240.12329	4.9
250.26848	1.4
258.13416	14.5
276.14313	2.9
279.07513	2.0
302.12329	3.2
320.13721	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	320.1245
Annotation	Asp-Trp
Peak:m/z	Relative Intensity
55.01871	1.3
55.34650	0.8
56.05031	2.3
56.96571	7.1
58.69017	0.7
60.45931	0.8
61.01119	0.9
67.16985	0.8
67.56118	0.7
68.05023	1.8
69.07047	0.7
70.06587	2.9
71.55231	1.3
72.08145	0.7
74.00690	1.1
81.07040	1.2
84.04504	2.1
84.08131	1.9
84.96035	2.9
85.02898	1.9
86.09691	1.3
87.97135	0.7
90.05564	1.5
91.05488	1.0
92.01706	0.9
93.03373	0.8
94.06623	0.8
95.04987	0.8
97.06574	0.9
98.97578	3.0
110.06043	1.0
113.72165	0.8
116.98643	1.3
120.08116	1.3
121.06533	1.1
123.05338	0.8
124.07528	0.8
124.75580	0.8
126.05531	1.2
127.05036	3.4
134.06021	2.9
136.07587	3.1
137.05977	1.3
145.06094	1.2
152.07101	2.6
153.05418	0.8
158.11784	2.9
163.00616	0.9
164.07063	1.8
169.07657	0.9
170.08340	0.9
183.09247	0.9
187.08720	0.9
189.06670	1.2
191.04863	6.7
191.08176	0.9
193.01775	1.5
197.09503	1.5
199.08693	2.8
207.03300	3.6
211.02744	1.7
214.09946	1.1
220.08774	1.0
225.04358	3.9
226.09805	4.2
229.09831	1.6
235.02834	1.1
237.00751	1.4
239.10603	2.4
242.09340	8.7
243.10048	44.9
244.10829	11.1
249.26125	0.8
253.03847	2.4
255.01744	7.5
255.10085	1.3
256.10834	39.7
272.10318	100.0
273.03046	1.3
273.10715	1.6
284.10321	30.6
302.11371	87.4
303.13858	3.8
315.03598	1.0
320.12463	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	319.1655
Annotation	CHEBI:68077
Peak:m/z	Relative Intensity
52.95778	0.5
55.05502	1.9
56.05034	0.9
56.96549	1.1
57.03446	3.6
60.04512	0.7
63.71603	0.5
64.26552	0.5
67.05486	0.9
69.03388	0.7
69.07052	1.5
70.06590	1.5
70.48097	2.0
72.08143	2.0
79.05480	1.8
81.03426	0.9
81.07065	3.7
81.45306	0.6
82.06590	0.6
84.08135	1.0
85.02893	0.7
86.09707	2.4
87.28355	0.5
91.05465	0.6
93.07052	0.9
95.05012	0.6
95.08604	0.6
96.08121	1.1
97.02924	0.7
98.97581	1.8
107.08596	0.8
115.05438	0.6
116.66528	0.5
116.98622	0.9
118.06517	2.1
121.10182	0.6
122.05994	0.6
128.07062	1.1
130.06535	28.2
130.08589	0.9
131.06055	0.7
132.04466	1.2
132.08054	1.8
136.07535	0.8
139.11150	0.8
142.06500	1.0
142.08662	0.8
143.06091	0.7
144.08075	1.8
145.07614	0.9
146.06017	3.0
146.59818	0.6
153.05504	1.4
156.06837	9.0
157.07625	53.4
158.06030	4.0
158.08330	0.8
159.09181	1.0
159.11281	1.2
160.07628	2.6
167.07280	0.6
168.08084	2.0
169.07645	5.8
170.06006	0.6
170.08360	1.0
174.05466	0.9
178.05019	1.3
182.08463	0.6
183.09142	1.5
185.05714	0.6
185.07072	4.0
185.10719	4.3
186.09145	0.7
188.07062	1.9
195.07745	0.9
197.10716	2.0
202.07352	2.1
202.12219	0.7
203.08171	43.7
211.12305	2.9
215.08250	0.7
216.06676	0.7
226.10934	1.1
227.11752	1.4
229.13429	1.6
239.11794	1.4
255.11348	1.1
255.14857	0.7
257.12863	22.7
270.10025	1.2
272.11536	1.5
273.12247	1.1
275.13879	2.3
283.10931	1.3
283.14175	0.9
301.11923	12.4
301.15445	100.0
302.15701	1.3
319.12808	4.9
319.16507	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	319.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	19.7
61.02899	8.7
67.67294	7.0
70.77700	19.5
73.79799	8.7
81.03407	10.2
84.08133	37.6
84.34165	7.6
85.04018	10.2
98.97578	16.0
101.00863	15.0
103.02414	9.6
109.02902	9.2
110.07133	9.9
119.01918	24.2
119.04965	21.3
122.06013	18.3
131.01939	11.8
133.03496	13.4
139.05826	10.8
143.01927	12.9
147.04427	60.9
157.03455	14.2
157.04738	12.8
161.02948	16.1
174.12817	8.0
175.04494	8.9
177.05412	14.2
204.13451	10.8
205.03426	12.8
223.04454	16.7
245.01309	8.5
273.09238	9.8
296.08704	10.1
319.07745	26.6
319.09903	100.0
319.13599	18.0
319.16254	13.7
321.72995	7.9
337.09689	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	318.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.8
56.96568	7.6
57.03441	6.1
61.02931	12.0
69.03425	18.2
70.06601	6.1
71.54876	3.3
72.08160	9.0
73.02921	4.5
81.03439	9.2
81.98928	2.4
84.04518	9.7
85.02915	100.0
86.09715	19.4
88.04005	2.5
91.03941	3.5
91.05490	4.2
93.07037	5.0
95.04979	2.4
97.02901	28.3
98.97577	6.0
108.41477	2.7
109.02859	6.8
110.06051	5.6
110.09737	2.8
121.06522	67.0
123.04456	2.3
127.03925	20.6
132.10179	3.8
134.71161	2.8
138.05524	45.4
138.09177	15.0
139.03972	12.5
140.04280	10.4
141.06648	3.6
145.04976	33.8
151.03951	3.0
156.06538	23.4
156.10210	19.4
157.04967	2.7
159.07886	3.2
163.06073	4.2
180.08714	12.3
187.07529	10.7
189.12428	4.2
201.12445	6.2
205.08603	3.1
219.01608	2.9
229.08727	4.6
256.26355	3.5
300.05783	3.6
318.06671	4.7
318.12402	8.1
319.13669	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	319.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	19.7
61.02899	8.7
67.67294	7.0
70.77700	19.5
73.79799	8.7
81.03407	10.2
84.08133	37.6
84.34165	7.6
85.04018	10.2
98.97578	16.0
101.00863	15.0
103.02414	9.6
109.02902	9.2
110.07133	9.9
119.01918	24.2
119.04965	21.3
122.06013	18.3
131.01939	11.8
133.03496	13.4
139.05826	10.8
143.01927	12.9
147.04427	60.9
157.03455	14.2
157.04738	12.8
161.02948	16.1
174.12817	8.0
175.04494	8.9
177.05412	14.2
204.13451	10.8
205.03426	12.8
223.04454	16.7
245.01309	8.5
273.09238	9.8
296.08704	10.1
319.07745	26.6
319.09903	100.0
319.13599	18.0
319.16254	13.7
321.72995	7.9
337.09689	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	318.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01873	0.6
55.05511	0.7
57.03432	1.1
61.02914	1.0
66.68504	0.3
67.05502	0.4
69.03439	3.3
69.07060	0.6
69.79527	0.3
70.06596	0.4
70.69765	0.5
70.70099	0.5
71.46793	0.3
72.08154	0.5
73.02915	0.6
73.42675	0.3
79.05463	0.4
80.05006	0.3
81.03413	1.3
82.06573	0.8
84.08134	0.5
85.02908	6.3
86.09700	1.1
87.04462	0.8
93.07043	1.2
95.07362	0.5
95.08611	2.0
96.04501	3.5
96.08144	2.2
97.02901	2.2
97.05279	2.5
97.06526	1.1
98.97587	0.4
99.04446	0.5
100.07619	1.0
109.02890	0.9
110.06051	6.3
110.09698	2.9
111.08089	1.0
111.69526	0.3
120.08091	0.8
121.06521	1.5
125.08370	0.9
126.09164	8.4
127.03917	1.1
138.05545	0.4
138.09148	21.0
139.07527	1.2
142.45332	0.3
145.04985	0.9
152.10765	0.6
156.10210	100.0
157.10544	0.6
168.10246	1.1
173.12932	0.4
180.10220	0.5
197.87445	0.3
198.11241	0.6
222.11221	0.3
255.06596	0.3
318.11847	0.3
318.15457	1.1
331.57593	0.3
337.07162	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
54.62135	1.5
55.01877	1.5
57.03427	4.2
61.02932	14.7
62.11119	1.4
63.81618	1.6
64.18552	1.5
69.03426	2.9
71.04993	3.4
71.53794	2.1
73.02889	1.7
79.93844	1.5
81.03423	19.0
82.99863	2.7
83.53694	1.6
85.02899	5.5
97.02901	2.0
99.04489	4.1
100.00101	1.9
101.00880	20.6
103.32109	1.4
103.69715	1.9
109.02884	20.5
113.00891	3.5
113.06033	1.6
115.02468	3.5
118.01144	2.0
119.01931	32.0
127.02435	2.9
127.03925	4.8
131.01924	4.6
133.03487	4.9
137.02937	3.0
138.05486	4.7
139.02426	5.7
141.00349	2.5
142.01176	2.5
143.01918	12.3
144.72481	1.6
145.03503	10.4
151.04443	1.9
152.03149	1.8
155.01941	2.3
156.02812	2.0
156.06506	2.4
157.03473	35.2
159.01447	4.9
160.02136	2.0
161.02928	23.9
167.01939	2.9
169.03522	3.5
171.05074	1.8
173.03012	1.9
175.04573	18.3
182.04276	2.2
183.05029	3.2
185.02992	16.9
187.04521	4.5
189.06136	3.1
191.04732	2.7
199.04547	8.1
201.06128	3.0
203.04012	8.1
212.05278	7.1
217.05589	7.0
221.05923	7.4
235.06696	5.5
245.05127	2.9
253.07719	5.7
259.06808	3.5
267.09213	1.8
277.07703	60.2
277.10724	3.3
278.07721	1.7
295.08759	100.0
296.08963	2.4
303.05728	2.0
318.10190	5.5
331.05081	2.4
342.04471	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23338	1.5
54.10885	1.5
56.96561	7.2
57.03432	2.9
61.02912	1.5
65.05695	1.4
69.03426	7.1
70.06582	4.8
71.04990	1.9
71.54535	2.7
72.08152	4.7
74.29630	1.5
76.70273	1.5
77.89781	1.6
80.10178	1.7
81.03415	6.4
84.04491	2.7
84.08140	4.3
84.96053	2.7
85.02917	13.4
86.09702	6.6
91.05482	4.7
93.07042	2.8
97.02896	6.4
98.97584	10.7
101.00887	11.2
102.05517	1.6
109.02883	5.0
110.06031	7.5
110.97556	2.0
115.02428	2.2
116.98638	1.8
119.01949	16.0
119.04935	7.5
121.05666	2.6
121.06524	48.5
123.28165	1.7
127.03921	3.3
131.01913	3.2
132.02002	1.7
133.03445	2.9
135.16426	1.7
137.03040	2.1
137.05994	23.9
138.05519	100.0
138.09145	14.2
139.03929	3.9
140.04277	2.2
143.01898	5.7
145.03477	3.3
147.04410	13.9
151.03822	1.9
154.05013	1.7
154.94174	1.8
156.06570	47.2
157.03482	11.2
157.04683	3.3
157.07619	1.8
159.01390	3.9
161.02980	10.5
167.01944	2.6
171.04906	1.9
175.04526	8.1
177.05432	3.5
179.06990	10.4
180.85248	1.9
181.03575	1.6
183.04991	3.2
185.02959	4.3
187.04532	3.5
199.04430	1.7
201.06032	2.0
201.12282	2.3
203.04024	6.8
217.05598	3.0
227.56944	4.7
236.57483	2.3
245.05209	2.1
277.07706	26.7
295.08813	43.3
318.07123	3.4
319.13419	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00733	9.6
55.05502	26.5
57.03965	9.5
64.06796	12.0
67.05521	49.2
69.07057	33.1
71.55669	19.2
81.07068	73.6
83.08620	29.9
95.08618	100.0
97.10178	13.6
109.10148	24.8
123.11720	15.4
127.03874	13.7
137.13287	16.1
155.89687	10.6
221.22578	14.9
239.23767	33.8
317.06454	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	317.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35096	10.4
55.05504	43.1
57.07084	13.7
67.05505	66.7
69.07060	46.4
70.18248	46.1
78.97903	11.4
79.05499	12.0
81.07062	79.6
83.08619	57.5
91.05479	16.9
93.07049	13.2
95.08613	100.0
97.10146	27.4
109.10175	57.6
123.11717	21.3
133.10147	13.9
137.13243	16.8
137.46188	11.6
182.88864	10.9
186.50017	15.8
221.22597	33.1
231.50873	11.6
239.23709	43.0
264.99289	10.7
317.06580	38.3
331.62320	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	317.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	21.7
60.01175	14.6
67.05500	50.0
69.07076	47.2
71.14404	15.4
71.14725	27.4
73.10493	15.5
81.07072	84.1
83.08620	37.5
91.05466	15.4
95.08617	100.0
99.04470	14.5
109.10143	52.6
115.57638	15.7
123.11682	22.8
125.13222	16.2
171.61906	16.5
205.35854	16.1
221.22705	28.3
239.23654	45.0
317.06595	24.3
321.12012	16.5
332.52380	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	318.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23338	1.5
54.10885	1.5
56.96561	7.2
57.03432	2.9
61.02912	1.5
65.05695	1.4
69.03426	7.1
70.06582	4.8
71.04990	1.9
71.54535	2.7
72.08152	4.7
74.29630	1.5
76.70273	1.5
77.89781	1.6
80.10178	1.7
81.03415	6.4
84.04491	2.7
84.08140	4.3
84.96053	2.7
85.02917	13.4
86.09702	6.6
91.05482	4.7
93.07042	2.8
97.02896	6.4
98.97584	10.7
101.00887	11.2
102.05517	1.6
109.02883	5.0
110.06031	7.5
110.97556	2.0
115.02428	2.2
116.98638	1.8
119.01949	16.0
119.04935	7.5
121.05666	2.6
121.06524	48.5
123.28165	1.7
127.03921	3.3
131.01913	3.2
132.02002	1.7
133.03445	2.9
135.16426	1.7
137.03040	2.1
137.05994	23.9
138.05519	100.0
138.09145	14.2
139.03929	3.9
140.04277	2.2
143.01898	5.7
145.03477	3.3
147.04410	13.9
151.03822	1.9
154.05013	1.7
154.94174	1.8
156.06570	47.2
157.03482	11.2
157.04683	3.3
157.07619	1.8
159.01390	3.9
161.02980	10.5
167.01944	2.6
171.04906	1.9
175.04526	8.1
177.05432	3.5
179.06990	10.4
180.85248	1.9
181.03575	1.6
183.04991	3.2
185.02959	4.3
187.04532	3.5
199.04430	1.7
201.06032	2.0
201.12282	2.3
203.04024	6.8
217.05598	3.0
227.56944	4.7
236.57483	2.3
245.05209	2.1
277.07706	26.7
295.08813	43.3
318.07123	3.4
319.13419	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2688
Annotation	CHEBI:79290
Peak:m/z	Relative Intensity
55.05499	16.6
57.07058	8.3
67.05180	6.1
67.05500	27.1
69.07076	32.2
69.59767	9.4
69.60172	30.5
79.05482	10.8
81.07058	27.6
83.08618	16.2
91.05469	22.2
92.97254	5.0
93.07038	29.5
95.04971	9.7
95.08610	26.8
97.10182	6.1
98.20787	11.3
105.07050	39.6
107.08610	16.3
109.06507	7.8
109.10159	18.8
117.07032	7.6
119.08591	33.2
121.06475	6.1
121.10104	9.8
123.08091	6.1
131.08568	9.1
133.10141	16.2
135.08066	13.8
135.11687	7.1
137.13339	5.3
145.10121	10.6
147.11684	7.8
153.05391	7.1
156.05240	5.3
161.13229	12.3
163.11160	12.2
175.14841	7.2
177.12718	11.7
239.23630	8.9
244.79327	5.3
263.99475	5.3
273.33499	6.0
289.25479	8.2
317.06378	9.3
317.17661	8.5
317.21060	11.9
317.24707	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2477
Annotation	Cannabigerol
Peak:m/z	Relative Intensity
53.03936	1.9
55.01863	1.5
55.05514	16.0
56.96550	1.0
57.03431	0.7
57.07083	4.9
59.04995	0.9
61.88606	0.5
65.03944	0.8
67.05510	16.8
69.03437	2.9
69.07074	24.4
71.04978	2.2
71.05682	0.8
71.06010	0.8
71.08620	1.5
73.06541	0.7
79.05499	13.8
81.07066	20.5
83.04980	1.3
83.08627	8.3
85.06536	1.2
85.45449	0.6
86.39216	0.5
91.05489	18.9
93.07053	26.3
93.67288	0.5
95.04959	2.4
95.08617	13.9
97.06522	2.3
97.10158	1.7
99.08080	0.6
103.05487	0.9
105.04578	0.7
105.07039	40.4
106.46542	0.5
107.04964	1.3
107.08600	18.7
109.06536	7.8
109.10162	5.0
111.08083	1.3
115.05511	0.7
117.07029	6.0
119.08593	34.2
121.05667	1.1
121.06521	21.8
121.10149	7.9
123.08075	3.9
123.11702	2.9
129.07030	0.6
131.08580	8.9
132.09375	0.8
133.10143	16.0
135.08066	15.9
135.11708	7.4
136.08704	0.5
137.13190	0.7
139.11127	0.6
143.08549	2.0
145.09050	0.8
145.10133	11.0
147.08022	1.0
147.11699	10.9
149.09601	2.4
149.13269	3.8
151.11192	1.1
153.12717	0.5
153.99576	0.6
157.10118	1.3
159.11705	5.7
161.09641	2.4
161.13268	15.0
163.11192	11.8
163.14882	1.8
165.12784	3.7
169.10040	0.8
171.11740	1.0
173.13278	2.5
175.11206	1.0
175.14857	7.1
177.12761	16.2
177.16322	1.1
179.14255	0.8
183.11649	0.9
187.14790	1.5
189.12733	0.9
189.16426	3.5
191.14340	2.6
193.15941	0.6
201.16434	1.5
203.14368	0.9
203.17937	1.2
204.29872	0.5
205.15869	2.3
211.14877	1.0
215.18047	0.8
217.15947	0.8
219.17476	0.9
225.16457	0.7
233.19029	1.3
254.08952	0.6
261.18484	2.1
261.25848	1.2
271.24283	2.9
275.20200	2.8
275.23605	0.5
281.22467	0.7
289.25275	17.0
299.23654	4.2
317.24780	100.0
318.25052	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1961
Annotation	Geranyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03946	1.3
55.01876	1.1
55.05508	2.6
56.65224	0.7
56.96570	2.5
57.03432	3.1
57.07080	0.9
58.67854	0.7
61.02924	3.2
67.05515	3.7
69.03441	8.9
69.07075	9.3
69.87834	4.1
71.04987	1.4
73.02927	2.0
79.05499	6.8
81.03410	2.5
81.07063	100.0
83.05003	1.7
83.08633	1.3
85.02914	45.8
87.04464	1.0
90.26852	0.7
91.05492	3.0
93.07057	7.4
95.05011	1.6
95.08611	10.8
97.02899	8.6
97.06543	1.7
97.10185	0.8
98.21552	0.9
98.97590	2.9
99.04483	1.0
102.96253	0.9
103.03963	1.7
105.07060	4.7
107.05004	4.0
107.08607	4.8
108.00813	0.8
109.02907	5.0
109.10176	2.3
110.97585	1.1
111.04473	2.1
112.99191	1.2
113.06058	1.2
115.03946	1.8
117.05488	0.8
119.08535	3.4
121.10167	2.9
123.11726	1.5
127.03933	12.3
128.98639	0.7
129.05493	1.4
129.07016	0.8
131.08604	3.9
133.04944	0.9
133.10146	2.3
135.08095	1.2
135.11705	3.1
137.06079	1.0
137.13263	41.7
139.03909	1.6
141.43982	0.7
143.08556	3.4
145.04976	11.2
145.10201	1.9
147.04530	0.8
147.06476	0.9
147.07962	0.8
147.11696	3.5
149.13266	1.6
153.01866	2.1
157.10123	1.5
159.11693	1.4
161.05971	2.2
161.09724	1.4
161.13249	2.0
163.06049	8.7
169.01363	1.7
169.04985	1.4
170.99709	1.1
173.13332	1.7
185.13223	1.2
188.07133	2.2
189.00778	1.9
189.51147	0.9
197.13434	0.9
221.15337	1.1
226.11047	1.3
229.05223	1.5
229.07573	2.6
229.10963	1.0
245.15408	1.2
247.08533	1.8
257.12988	1.0
263.16376	5.5
271.10812	1.1
271.13809	1.1
274.04922	2.6
277.22183	0.8
281.09317	1.0
281.17426	3.7
285.12466	2.3
299.05835	0.7
299.10226	4.8
299.18729	1.5
302.04166	6.1
309.52850	0.8
317.06647	13.9
317.11346	8.9
317.14835	3.4
317.19864	5.2
317.24640	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
53.83006	0.6
55.01841	1.8
55.05504	1.0
56.96549	0.7
57.03421	1.2
57.71411	0.6
58.48957	0.7
63.21559	0.7
67.05479	2.4
69.03437	1.3
69.07074	6.1
70.06570	1.2
71.04969	0.8
71.55949	1.2
79.05502	9.2
81.03380	1.3
81.07034	1.6
82.06562	1.1
83.08675	0.8
84.87707	0.8
85.02905	1.4
86.09687	2.1
93.07026	1.2
95.04961	1.7
97.06542	86.8
98.06050	1.9
98.97549	1.2
100.07622	1.7
103.49968	0.7
105.81018	0.7
107.08567	1.7
109.02914	0.8
121.06483	0.7
123.04408	1.4
124.07588	0.8
125.05986	1.5
128.07068	0.8
129.06990	0.8
130.06544	22.9
131.08618	0.9
132.04462	1.9
132.08037	0.9
133.10118	0.9
134.03685	0.8
135.08002	0.9
137.06018	0.6
138.03079	0.8
144.06656	0.6
144.08031	0.9
146.05995	2.8
146.09685	0.9
148.07578	2.1
149.05994	0.7
150.03078	1.1
153.01859	6.3
153.05484	13.8
156.08086	2.9
157.07625	45.5
158.06050	6.1
158.09642	1.3
160.07657	3.4
165.05542	0.8
168.00499	1.1
168.08186	0.8
173.13196	1.0
174.09157	2.6
175.08691	3.8
177.05470	2.4
183.09171	1.1
184.07532	1.7
185.07162	1.9
185.13022	0.7
191.03419	0.9
203.08168	100.0
205.04880	0.9
221.09196	1.5
229.04938	8.0
255.14915	0.9
257.04440	4.2
271.14377	1.7
273.12509	1.0
285.03885	2.0
287.10339	1.4
299.10516	1.2
299.13907	24.1
302.04175	5.3
302.07123	0.7
317.06613	32.4
317.10791	2.4
317.14819	19.7
317.20908	1.0
318.06946	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1385
Annotation	Pochonin F
Peak:m/z	Relative Intensity
53.03942	0.6
55.05503	0.9
56.96561	0.7
57.03444	0.5
57.07055	0.4
59.04989	0.4
66.04733	0.4
67.05495	1.5
67.17796	0.4
69.03434	5.4
69.07056	1.6
70.01614	1.4
79.05500	2.2
81.07058	2.9
83.04961	1.0
85.02929	0.3
91.05463	1.4
93.07044	1.2
95.04958	1.3
95.08608	2.0
97.02899	0.8
97.06528	0.4
98.97588	2.3
103.05457	1.5
105.07057	2.5
107.04935	1.0
107.08590	1.1
108.05198	0.4
109.06519	1.4
109.10168	1.1
110.07149	0.4
111.04444	0.7
113.06035	0.4
115.23843	0.4
116.98622	1.0
117.07013	0.5
118.04158	2.7
119.08559	0.6
121.06523	1.1
121.10104	0.7
123.08103	0.4
131.08578	0.9
131.53571	0.5
133.06499	21.2
133.10121	1.9
134.99641	0.5
135.08025	0.5
137.02356	0.5
137.05986	2.7
137.09639	0.6
138.03110	0.8
144.05688	0.7
144.40593	0.4
145.06395	0.4
145.10077	0.6
147.11658	0.5
151.03897	0.4
151.11105	0.6
153.01843	0.9
153.05493	4.4
155.07045	0.9
159.08095	0.7
159.92342	0.3
161.05984	100.0
165.05466	2.4
179.10902	0.4
183.06540	0.5
187.07530	1.3
191.06966	0.4
195.08138	0.4
203.07037	0.5
215.07059	1.1
221.49467	0.4
229.04906	0.4
257.04480	0.6
258.19318	0.3
271.13208	0.6
288.91992	0.4
299.12704	2.9
302.04263	0.7
317.06519	2.9
317.10263	0.7
317.20929	1.0
317.24536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1384
Annotation	Pterolinus C
Peak:m/z	Relative Intensity
55.05502	1.5
55.52805	0.8
56.96555	1.8
63.86319	0.7
67.05497	3.4
68.99784	10.1
69.03434	1.1
69.07063	1.8
71.04987	2.9
71.54978	0.6
71.95344	0.7
79.05482	3.4
81.07049	2.5
83.04948	1.5
91.05483	2.4
93.07060	2.0
95.04958	3.4
95.08621	1.7
95.45571	0.8
97.06526	3.8
98.97575	1.7
103.05462	2.5
105.07001	3.4
107.04958	1.7
107.08578	1.6
109.06506	1.3
109.10180	0.9
113.02382	6.2
113.05982	2.0
118.04150	2.4
120.05737	0.8
121.06530	2.2
121.10149	0.9
123.04462	4.3
125.02313	0.9
129.06970	0.8
131.04959	1.1
133.06500	32.8
135.08069	2.9
138.03091	1.6
141.05443	0.9
145.06549	1.2
145.10127	1.1
147.08049	1.5
151.03909	0.8
153.01822	3.3
153.05453	8.1
154.65750	0.8
160.05212	1.1
161.05984	100.0
163.07555	1.3
165.05467	8.6
167.08484	0.8
173.13336	1.0
175.07510	2.0
177.05432	0.9
183.06563	10.7
185.05992	3.1
191.07059	1.7
196.04208	0.9
203.07036	34.0
210.52022	0.7
215.10712	4.4
227.07152	1.5
229.05052	1.5
229.08583	5.8
257.04498	1.2
257.11783	1.1
281.11758	0.9
288.92157	1.9
299.12875	3.7
299.15884	0.9
302.04074	0.8
317.06921	5.2
317.10226	2.9
317.13794	16.6
317.17209	1.0
317.20721	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
51.59167	0.5
52.05994	0.3
55.05505	1.1
56.96557	1.2
57.03429	0.4
67.05500	1.0
68.99774	0.5
69.03424	0.5
69.07054	1.2
78.55756	0.4
79.05486	0.8
79.65363	0.4
81.03439	0.4
81.07053	1.6
86.09686	0.5
91.05478	0.7
93.07076	0.8
95.04964	0.7
95.08605	0.8
97.02900	0.4
98.97589	1.3
105.07022	1.0
107.04929	1.6
107.05596	0.5
107.08609	0.8
107.35136	0.4
109.10163	1.0
116.98618	0.5
119.08584	0.5
127.03931	0.8
131.08583	0.5
132.04596	0.4
133.02911	0.5
135.11592	0.4
137.05966	0.5
139.03914	1.1
150.03113	0.6
153.01828	4.8
165.05424	1.2
168.00615	0.5
169.05011	0.7
192.04274	0.7
200.04826	0.6
203.03421	1.2
217.04958	1.0
228.04172	1.5
229.05069	1.0
245.04613	0.5
257.12750	0.8
273.03918	1.7
274.04739	48.1
285.12415	1.5
299.09265	0.5
302.04245	66.4
317.06586	100.0
318.06955	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1024
Annotation	Mucroquinone
Peak:m/z	Relative Intensity
55.01871	0.4
55.05507	0.7
56.94540	0.3
56.96567	0.8
61.74617	0.3
65.03934	0.9
67.05519	1.6
68.99797	0.4
69.03448	1.0
69.07066	1.2
69.89906	1.1
71.31088	0.3
78.81541	0.3
79.05517	1.8
81.03428	0.6
81.07056	1.6
82.04196	1.6
83.05022	0.4
85.02902	2.2
89.03920	2.7
89.65775	0.3
91.05475	1.0
92.02552	0.4
93.03395	0.6
93.07037	1.2
95.04978	1.3
95.08604	0.9
96.02077	0.4
97.02895	0.3
97.06527	1.1
98.97601	0.5
103.05480	0.3
105.07022	0.6
107.04955	1.5
107.08602	1.0
109.02887	0.4
109.06544	0.4
109.10157	1.0
110.03683	1.7
111.04452	1.2
116.98591	0.3
117.03386	2.5
119.04936	0.5
119.08582	0.7
121.06497	0.6
121.10153	0.4
123.04458	0.8
123.08088	0.5
123.11712	0.5
125.06004	5.5
125.28538	0.3
127.03945	0.6
131.04927	0.4
133.10143	0.4
134.03647	0.6
135.04396	2.5
137.06009	1.3
138.03133	20.5
139.03896	1.2
140.14417	0.4
141.06978	0.4
143.08583	0.3
145.02858	1.1
147.04417	0.8
147.11661	0.6
149.06038	2.3
150.03101	0.4
151.03931	0.5
152.01099	0.6
153.05481	100.0
154.05856	0.7
161.06046	0.4
162.03177	0.6
163.03909	3.5
164.04626	0.3
165.05557	0.4
167.03416	7.0
175.11189	0.4
177.05486	17.0
178.05870	0.5
193.04973	1.6
197.06036	0.4
211.07565	0.5
219.07690	0.4
225.05408	0.9
229.08588	0.4
257.07938	0.3
267.06653	0.4
270.05432	0.7
274.04895	0.5
279.34097	0.4
285.07568	1.6
299.09155	0.7
302.04349	1.8
302.07419	0.4
317.06567	4.0
317.10236	11.4
317.13928	0.8
317.17633	0.4
317.20905	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0653
Annotation	Junipegenin A
Peak:m/z	Relative Intensity
54.70147	0.3
55.01871	1.2
55.05500	0.3
56.96577	0.6
59.29473	0.3
65.03934	0.6
67.05515	0.4
68.99805	2.4
69.03432	0.5
70.06600	0.8
71.54385	0.5
72.08150	0.4
75.15149	0.4
82.87193	0.4
83.05000	0.9
83.06113	0.6
84.04517	1.2
84.08142	1.3
86.09707	2.6
93.03416	0.9
95.04992	0.4
97.02906	0.5
105.03338	0.4
107.05003	0.9
111.04463	3.9
119.29308	0.4
123.04446	4.3
129.10257	0.6
130.06572	0.7
133.02873	0.5
135.04408	0.5
138.05464	0.4
139.03915	100.0
141.06915	0.7
147.04428	1.2
151.03915	12.8
155.01547	0.3
155.03323	0.3
155.04941	0.9
157.07657	0.9
163.03963	0.6
165.05452	0.6
167.05063	0.7
169.06488	0.7
172.95239	0.5
175.03926	0.9
179.03415	14.3
183.04443	1.1
185.05960	1.1
189.05553	0.8
193.05017	0.4
197.05951	2.0
197.12831	0.5
198.01524	0.4
200.14066	1.0
201.05518	0.6
203.03447	1.1
211.03993	0.5
213.05479	3.0
217.05110	0.6
225.05542	1.0
228.10770	0.4
229.05046	1.1
231.06541	1.8
243.06725	0.7
245.04395	0.9
253.05040	0.9
257.04517	3.4
260.10431	1.0
271.06046	2.7
273.14539	0.4
275.05490	0.4
288.79471	0.4
289.07028	0.6
299.05518	9.4
317.06589	21.8
317.12207	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0658
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
56.26394	0.3
56.96537	0.3
57.52712	0.3
65.03938	0.6
68.99787	0.8
69.03414	0.3
69.88159	0.5
69.88570	0.9
81.07047	0.3
85.02926	0.3
92.02632	3.5
93.03409	3.0
98.20798	0.4
98.97565	0.6
100.29812	0.3
105.78426	0.2
107.08595	0.3
109.02885	0.3
111.00809	0.4
121.02860	2.1
126.03124	1.0
133.02843	0.3
133.26704	0.3
137.02333	0.5
138.03014	0.3
139.03909	1.4
145.06483	0.4
151.03886	1.4
153.01837	16.5
153.05406	1.6
155.04959	0.4
158.99655	0.4
163.03911	0.4
165.01826	1.2
166.02629	0.5
173.05963	0.6
177.05478	0.3
187.03964	0.4
200.04716	1.0
201.05499	1.5
203.03391	1.0
205.04968	0.3
217.04990	2.8
218.05717	0.8
219.02873	0.4
228.04214	4.3
229.04979	8.5
231.02853	1.3
243.06549	0.5
245.04501	3.5
246.05232	2.7
256.03781	0.5
257.04489	4.7
260.03119	0.6
261.07761	0.7
271.06012	0.4
273.03949	3.5
274.04739	6.4
284.03238	0.7
285.03949	7.4
287.01663	0.3
288.06317	0.4
301.03549	0.5
302.04230	21.0
314.98584	0.3
317.06573	100.0
318.06876	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0659
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
51.51517	0.6
51.73699	0.7
66.70054	0.6
68.99792	2.2
69.03423	0.9
70.65467	2.2
72.12188	0.6
96.02094	0.5
105.03384	2.1
111.04488	0.6
117.07019	0.8
118.99299	0.6
123.04447	0.6
125.99154	0.6
128.06123	0.6
129.06952	0.6
131.29196	0.6
133.02831	1.4
134.03629	0.7
134.14590	0.6
135.04462	1.5
139.03897	1.2
145.06526	1.3
147.04395	0.7
150.03128	3.9
151.75293	0.6
153.01834	22.8
155.04930	1.5
161.06015	1.2
163.03838	0.9
173.05986	1.9
179.03455	0.9
183.04475	0.7
185.05919	1.0
187.03937	1.2
191.03369	3.7
201.05476	1.7
203.03264	2.9
204.04201	3.2
205.04976	6.3
213.05489	2.6
215.03442	1.6
221.65285	0.7
228.04141	1.5
229.04964	36.3
231.02855	1.0
233.04504	1.3
239.03334	1.1
243.02847	0.7
247.06102	1.3
257.04462	27.6
261.07663	2.3
271.06064	1.7
284.03177	1.5
285.03958	7.6
289.06998	0.9
299.05466	0.8
302.04218	12.8
317.06573	100.0
318.06937	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.2
55.01871	0.3
55.05515	0.4
55.05788	0.2
56.96556	0.3
65.03935	0.8
67.01862	0.3
67.05518	0.9
68.99795	0.8
69.03426	0.6
69.07044	0.3
70.06565	0.2
71.55843	0.2
71.56284	0.3
79.05486	0.8
81.03413	0.3
81.07057	1.4
85.02899	0.5
91.05486	0.8
92.02631	3.3
93.03414	2.9
93.07037	0.7
95.04961	0.7
95.08615	1.0
97.06528	0.4
98.97598	0.4
99.04495	0.3
103.05474	0.2
105.07034	0.7
107.04959	2.6
107.08585	0.8
109.02911	0.3
109.06517	0.5
109.10172	0.6
111.00842	0.3
111.04492	0.2
113.26450	0.2
115.05463	0.2
117.07025	0.4
119.04927	0.4
119.08555	0.5
121.02875	2.6
121.06473	0.2
121.10123	0.3
122.03665	0.6
123.04421	0.5
125.05992	0.3
126.03139	1.2
127.03901	0.4
131.04916	0.4
131.08664	0.2
133.02864	0.5
133.10182	0.4
135.04431	5.4
135.08049	0.3
135.11717	0.4
137.02361	0.9
137.05988	1.2
137.09634	0.3
139.03922	1.8
140.07043	0.2
141.05461	0.2
143.08533	0.3
145.06496	0.3
147.04410	1.2
147.11650	0.4
150.03036	0.2
151.03891	1.6
151.07666	0.2
152.01080	0.4
153.01840	16.9
153.05446	2.5
155.04852	0.3
155.10628	0.3
159.11731	0.3
161.06007	0.3
161.09566	0.2
163.03899	2.8
165.01826	1.2
165.05502	0.6
166.02612	0.3
167.07048	0.5
170.02112	0.2
173.05952	0.5
175.11299	0.2
176.04761	0.2
177.01801	0.2
177.05528	0.6
179.03386	0.5
179.06995	0.6
180.07927	0.3
183.02882	0.5
183.04391	0.3
187.03922	0.4
190.06273	0.3
191.03412	0.2
197.05998	0.4
200.04742	0.8
201.05472	1.6
203.03436	1.9
205.04922	0.3
217.04965	2.9
218.05746	1.4
219.02908	0.6
226.08748	0.3
228.04216	3.2
229.04994	7.5
229.08353	1.0
231.02924	0.9
243.06534	0.2
244.09624	0.2
245.04489	4.1
246.05252	3.2
253.09740	0.3
256.03644	0.7
257.04477	4.9
257.08313	0.5
258.05042	0.3
260.03241	0.7
261.07596	0.4
271.06003	0.4
273.04004	3.6
274.04739	7.0
281.09134	0.4
284.03232	0.8
285.03955	7.9
286.04642	0.2
288.06277	0.4
289.10629	1.1
299.05652	0.3
299.10199	1.2
301.03452	0.9
302.04239	21.7
317.06589	100.0
318.06982	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.6
55.01872	0.7
55.05516	4.6
56.05046	3.9
56.96584	0.5
57.03455	0.8
57.07083	1.2
60.04530	100.0
60.10170	0.5
62.17573	0.4
65.91929	0.5
67.05512	8.1
69.07073	6.1
69.87384	1.1
69.87794	1.9
70.06592	0.9
71.08656	1.1
72.04529	2.9
74.06088	2.7
79.05504	4.0
80.05028	1.2
81.07060	7.9
82.06593	1.5
83.04989	0.8
83.08620	3.6
85.10195	0.8
86.06066	0.9
87.04458	1.6
90.05581	1.8
91.05489	3.3
93.07065	3.4
93.35224	0.5
94.06636	0.7
95.04989	0.9
95.08617	7.7
96.08199	0.5
97.06546	0.5
97.10188	1.6
98.21416	0.6
105.07026	1.5
107.04963	1.9
107.08602	2.2
108.05305	1.9
109.10145	3.4
109.75069	0.6
111.11762	0.7
119.08564	1.7
121.10165	1.9
123.11723	1.0
133.10158	0.8
135.11766	0.7
147.63173	0.5
199.53955	0.5
209.11691	0.9
210.12126	1.7
250.25339	1.3
262.25314	1.5
268.26123	0.6
280.26355	12.3
298.27448	12.3
316.16241	1.0
316.28488	36.2
317.28824	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2849
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
50.57958	0.3
55.05519	4.2
56.05043	3.8
57.03432	0.6
57.07088	1.9
60.04533	100.0
65.03930	0.5
67.05514	8.2
68.05029	0.4
69.07072	5.4
70.06604	1.0
70.79350	0.5
70.79693	0.8
71.08652	0.9
72.04527	2.3
74.06087	2.2
79.05505	4.0
79.52582	0.4
80.05034	1.0
81.07064	7.4
82.06584	1.3
83.04965	0.4
83.08626	4.2
86.06103	0.7
90.05580	1.2
91.05494	2.8
92.03271	0.4
93.07044	2.9
94.06598	0.9
95.05017	0.7
95.08617	7.2
96.08091	0.4
97.06561	0.6
97.10209	1.9
98.06057	0.5
98.20771	0.5
100.07621	0.4
105.07047	0.8
107.08624	2.0
109.10161	2.8
112.07607	0.7
119.08612	1.5
121.10155	1.6
123.11723	1.4
133.10138	1.1
135.11716	1.1
137.13298	0.8
146.10501	0.4
221.52295	0.4
236.23674	0.4
239.23862	0.5
250.25342	1.6
262.25391	1.5
268.26343	0.9
280.26389	11.7
298.27432	12.4
316.28494	35.9
338.56326	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26226	0.8
55.05516	4.7
55.70171	0.7
56.96555	1.3
57.03437	1.5
60.04530	100.0
67.05505	11.9
69.03400	1.0
69.07072	5.7
70.02954	1.5
70.56086	2.4
71.04987	2.0
74.43663	0.7
79.05498	8.6
81.07063	39.9
83.04974	3.3
83.06044	0.8
83.08624	2.7
83.12984	0.9
85.06541	2.5
88.04002	19.9
89.19488	0.9
91.05482	10.3
93.07047	6.7
95.05009	1.7
95.08056	1.0
95.08614	8.0
96.04494	3.1
97.06530	2.1
98.20864	0.8
98.97571	2.0
99.08095	1.1
105.06387	1.4
105.07039	17.1
106.05037	77.2
107.08597	5.6
108.04489	0.9
109.06518	2.1
109.10175	1.0
112.99079	1.0
116.98684	0.9
119.08593	12.9
121.06466	1.0
121.10168	11.1
123.08070	2.2
123.11713	11.5
127.07558	1.2
133.10114	2.2
137.13345	1.0
138.09174	1.5
139.03922	1.1
147.11705	29.6
165.12766	15.3
170.89871	0.8
175.11220	1.5
183.13934	1.0
193.12350	1.0
206.15369	4.6
207.80708	0.9
224.16484	3.1
229.14374	2.8
234.12753	1.5
234.14914	16.8
252.15971	38.7
262.14401	1.8
270.17026	7.5
280.12543	1.5
280.15463	16.5
298.16507	43.5
301.06680	3.0
316.09061	5.0
316.17624	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	6.0
57.03450	1.2
60.04531	98.9
60.46955	1.1
67.05505	14.8
69.07079	6.2
69.69818	7.4
70.02963	3.7
71.05001	2.4
79.05499	7.3
81.07065	42.7
83.04993	3.1
83.08632	3.9
84.04501	1.5
85.06560	2.4
88.03999	44.2
89.53519	1.4
91.05480	12.3
91.19644	1.1
93.07059	5.0
95.08595	7.0
95.94885	1.1
97.06539	2.9
98.97642	1.7
105.06375	2.3
105.07041	20.8
106.05038	100.0
107.08608	5.4
108.99639	1.1
109.06514	2.2
109.10194	1.2
119.08580	14.6
119.57594	1.1
121.06544	1.9
121.10145	8.8
122.06049	1.5
123.08108	2.8
123.11701	13.5
127.07564	1.6
133.10135	2.0
137.06096	1.7
142.81897	1.1
147.11697	37.0
157.10141	1.8
165.12773	18.8
167.71536	1.1
183.13762	2.6
193.12210	2.1
198.03171	1.3
206.15463	4.4
215.04070	1.4
216.04297	1.7
224.16623	2.0
226.11200	1.6
229.14377	4.3
234.14864	16.0
234.26346	1.3
252.15981	33.6
270.08908	4.4
270.16986	9.4
272.20184	2.1
274.17004	1.6
280.15451	14.1
288.09998	2.0
293.10474	7.8
298.16522	33.9
299.05438	1.5
300.58780	1.3
316.05487	2.0
316.09064	2.8
316.17566	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.05506	3.6
58.08433	0.8
67.05513	1.2
69.03439	1.5
69.14284	0.7
70.06601	1.6
71.55657	0.9
79.05498	2.5
81.07052	4.0
83.08611	0.9
84.08181	1.0
85.02907	1.8
86.09707	3.6
91.05478	1.3
93.07054	5.4
98.97558	1.1
102.08704	0.8
105.07050	1.4
107.08634	1.6
108.08076	0.9
109.06485	2.6
110.06031	1.5
121.10145	3.5
124.07615	1.9
126.09137	1.1
131.08597	2.5
132.99542	1.4
133.10109	1.1
135.07979	0.8
137.05934	1.2
139.06285	1.6
149.09627	10.7
154.08646	100.0
167.10674	1.9
177.09131	12.5
195.10182	20.8
235.07500	1.2
236.20004	0.9
253.08858	1.3
270.11548	11.3
299.09497	8.1
316.08875	1.0
316.12048	24.4
316.15424	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33127	0.8
55.01878	1.5
56.96559	1.4
70.06591	1.5
70.89312	1.9
71.04967	0.9
73.90738	0.8
79.71136	1.0
82.32188	0.8
84.04520	1.0
84.08134	1.0
86.09728	6.4
91.05484	1.4
98.97556	1.0
107.08613	0.9
112.73109	1.0
115.05439	1.1
124.07608	1.2
129.95004	1.0
151.07767	0.9
153.05464	1.3
153.06956	1.8
154.08627	1.2
155.08533	3.7
158.99704	0.9
165.06972	5.6
166.07712	1.5
172.12767	0.8
178.07745	5.7
179.08563	16.3
181.06506	4.1
181.10037	2.1
183.08069	88.4
184.08345	0.9
189.06984	1.1
191.08566	1.8
194.07288	4.5
195.08063	2.0
197.09567	1.9
206.09622	1.8
207.08069	96.6
208.08704	2.0
209.09657	9.4
211.07574	11.7
213.59593	0.9
224.10733	2.4
225.09129	4.4
229.08612	4.5
235.07564	8.2
239.06960	1.6
242.11887	1.2
253.08620	100.0
257.08112	60.7
270.11255	48.2
270.14227	1.6
281.08099	3.8
299.09164	47.5
307.53592	0.8
316.08804	0.9
316.11551	5.9
316.21027	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
53.03926	1.6
54.96725	0.7
55.01857	2.7
55.05265	0.9
55.05512	12.3
56.96297	1.1
56.96563	18.0
57.03435	1.0
57.07076	8.0
61.02917	1.3
61.71381	0.6
62.98254	0.9
67.01865	7.2
67.05506	26.4
68.77625	0.7
68.99785	8.7
69.03430	5.3
69.07069	18.6
71.01335	0.9
71.04979	2.9
71.08630	4.7
71.95265	3.5
72.96043	0.7
79.01855	4.9
79.05492	26.1
80.50370	0.7
81.07058	32.8
83.01340	43.9
83.04983	6.8
83.08621	11.7
84.96043	1.1
85.06528	1.4
85.10168	2.8
88.38506	0.7
89.02382	0.9
91.04964	0.9
91.05479	7.8
93.07043	31.0
95.04955	2.8
95.08607	29.1
97.02890	2.3
97.06509	2.8
97.10170	8.1
97.96767	1.6
98.21471	2.2
98.97577	2.8
105.07024	6.4
107.01331	3.8
107.04954	6.8
107.08596	17.0
109.06503	1.6
109.10155	10.5
110.97572	6.0
111.04435	3.3
111.08056	1.1
111.11732	3.5
113.05977	0.8
115.97852	0.9
117.06982	1.9
119.08598	3.7
121.06512	6.3
121.10144	28.7
123.01174	0.7
123.08049	1.0
123.11697	8.7
123.46877	0.7
125.02299	1.3
125.05984	2.1
125.13245	1.1
127.07546	0.8
128.98599	8.5
129.05450	3.2
131.08557	5.2
133.06541	0.9
133.10117	2.4
135.00748	2.0
135.08051	20.2
135.11691	17.1
137.13257	5.4
139.07520	2.8
139.11131	0.9
143.00119	1.5
145.10129	2.9
146.99638	4.8
147.11679	2.0
149.09662	3.5
149.13235	5.3
151.00568	0.7
151.04022	0.9
151.14799	1.2
153.01820	6.7
153.05458	1.6
153.09073	2.1
159.11671	1.6
161.01184	1.2
161.06010	1.0
161.13275	1.5
163.11177	1.7
163.14825	2.4
167.10680	2.0
169.01729	1.1
171.03073	1.4
173.09555	0.8
173.13261	1.3
177.12892	1.0
177.16338	0.8
179.03450	1.0
181.01317	67.1
181.12216	1.7
185.04858	0.9
193.19461	3.8
199.02379	100.0
200.02718	1.4
203.22003	0.9
207.02846	4.3
209.11699	3.6
211.20599	1.0
213.08038	0.9
217.19551	2.1
219.21072	28.3
229.04591	0.9
233.22588	1.7
237.22137	12.4
243.21074	5.4
261.22144	5.7
263.09631	1.7
279.23169	5.5
292.13025	1.3
297.24252	1.1
300.06433	2.2
303.12677	1.2
311.18985	1.3
315.08377	15.4
315.16208	23.6
315.19876	1.6
315.23242	1.0
315.34509	24.9
321.19833	0.8
331.15692	1.0
333.17371	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	315.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	6.0
55.01870	20.8
55.05514	37.5
56.96561	8.0
57.03447	24.6
58.43874	4.7
59.04989	8.4
60.40281	4.2
61.02924	9.5
67.05490	18.4
69.03435	30.9
69.07067	20.5
69.67565	29.9
70.06587	8.9
71.01340	4.7
71.04993	51.4
73.02910	20.5
79.05485	24.1
81.03412	11.9
81.07070	36.3
83.04965	7.9
83.08643	5.5
83.35397	4.7
84.04510	8.5
85.02914	62.0
86.09701	9.2
88.03973	9.4
91.04968	5.9
91.05482	42.2
93.07053	48.2
95.04973	9.1
95.08605	22.1
97.02897	20.6
97.06528	5.7
98.21529	4.7
98.97591	14.0
99.04475	5.4
103.03938	9.8
103.39399	5.1
105.07030	55.1
107.04969	13.9
107.08598	57.1
109.02833	6.7
109.06524	32.8
109.10149	17.6
111.04439	7.1
115.03911	16.1
117.07026	20.2
119.07290	10.3
119.08589	53.5
121.01103	8.6
121.06511	15.8
121.10146	11.9
122.01455	8.8
123.04418	15.3
123.08074	26.7
127.03913	13.2
128.06180	9.0
129.05533	9.5
129.07024	9.2
131.08586	29.4
133.04991	31.1
133.06502	10.7
133.10136	10.0
135.04439	6.5
135.08075	9.2
135.11691	19.4
137.09605	13.5
139.92572	4.5
143.08539	20.2
145.06573	7.1
145.10100	23.8
147.08073	22.7
147.11720	13.4
149.00554	21.0
149.09579	12.4
150.00922	32.9
151.07533	5.8
151.11136	14.8
153.12770	17.9
155.08624	6.1
157.10071	5.1
159.08086	10.9
159.11646	14.3
161.09668	6.2
163.11183	10.0
165.12766	100.0
165.43077	5.6
166.00436	13.8
171.11676	6.6
173.09616	19.6
173.13263	7.1
173.24222	4.7
175.07544	8.4
177.12761	21.7
187.11189	7.5
189.12808	11.3
191.10655	4.8
192.99545	11.9
194.00032	28.4
195.00671	33.2
195.02547	5.9
209.02725	25.5
210.03014	89.4
211.02374	7.5
211.09660	6.1
215.14326	5.3
219.13829	14.8
231.13910	8.4
243.13905	7.4
261.14917	12.9
279.16000	10.8
297.17075	7.2
300.06180	10.9
315.08438	29.3
315.14017	61.6
315.17776	9.8
323.13538	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	315.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	10.3
55.01877	26.4
55.05510	41.5
56.96559	11.5
57.03442	35.1
59.05006	8.7
61.02921	17.1
65.03958	5.8
67.05489	16.1
69.03442	33.9
69.07071	25.4
70.06585	15.2
70.48071	13.6
71.01334	8.1
71.04996	58.4
72.08159	5.7
73.02923	26.9
76.47932	5.0
79.05504	25.2
81.03413	18.8
81.07059	41.8
83.04975	8.2
83.08617	5.8
84.08125	13.8
85.02908	78.3
86.09717	13.2
87.04462	8.8
91.05480	39.8
93.07051	55.2
95.04952	15.5
95.08613	24.0
97.02904	27.2
97.06535	10.4
98.97595	10.6
99.04472	6.9
103.03925	12.5
105.07038	69.5
107.04924	10.2
107.08600	69.9
109.02843	6.1
109.06525	44.4
109.10146	18.9
111.04445	6.0
111.08059	10.0
112.11636	4.2
115.03937	21.7
116.98591	6.3
117.07048	23.0
119.07307	7.5
119.08575	70.9
121.06494	19.3
121.10159	14.0
123.08073	27.7
127.03889	11.1
129.05473	7.6
129.06952	12.0
131.08556	34.5
133.04979	36.3
133.06468	13.4
133.10129	12.2
135.08035	15.0
135.09096	9.3
135.11702	28.6
137.05972	10.7
137.09615	14.0
139.11194	5.8
141.05464	4.3
143.08572	18.2
145.10138	32.7
147.08073	37.9
147.11716	10.8
149.09644	12.9
151.11171	13.7
153.05406	10.1
153.10257	8.1
153.12764	16.3
155.08572	10.2
157.10220	5.0
158.07292	5.8
159.08012	14.1
159.11708	14.1
161.09534	6.2
163.11195	18.5
165.07033	6.1
165.12766	91.5
171.11635	5.0
173.09637	28.0
173.13257	12.4
175.07553	5.5
175.11153	9.1
177.12706	32.1
179.08606	4.8
183.08075	20.7
187.11263	5.0
189.12733	15.1
191.10686	9.8
193.08527	7.1
195.13834	8.6
197.11429	4.8
201.12729	10.0
207.08075	27.5
207.13721	10.1
211.09485	4.8
213.10670	4.7
219.13905	9.8
224.80435	5.5
227.11708	9.0
231.13882	5.0
235.07568	6.1
243.13809	7.1
253.08586	21.5
255.11324	39.8
257.08170	10.2
261.14862	14.9
265.08618	10.0
270.11276	10.0
279.15869	13.5
283.09949	5.2
297.11920	5.0
297.17194	7.5
299.09061	10.3
300.05951	5.0
315.08136	15.4
315.13962	100.0
315.17822	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	315.1591
Annotation	isobacteriochlorin
Peak:m/z	Relative Intensity
53.03955	1.4
55.01867	1.0
55.05512	1.8
56.05043	0.7
56.96563	2.1
57.03461	0.7
60.04527	9.5
60.04813	0.6
62.98256	1.0
67.05513	3.0
67.35460	0.5
69.03427	1.1
69.07073	13.9
71.54947	0.7
71.55334	0.7
79.05506	3.3
81.03419	0.8
81.07066	2.5
83.04989	1.3
83.08622	1.6
85.02914	1.2
85.06556	0.7
87.04463	0.7
90.74329	0.6
91.05503	1.3
93.07064	1.8
95.04951	1.7
95.08626	2.0
97.02917	0.7
97.06517	0.9
97.10168	1.3
98.97590	2.7
105.07030	1.9
107.04961	100.0
107.08612	4.8
108.05312	0.7
109.10194	1.0
111.04454	1.3
116.98650	1.2
119.08595	1.0
121.02883	2.0
121.10168	1.9
123.04464	3.5
125.05991	0.9
125.09636	2.7
131.08598	1.7
133.06482	1.3
135.04408	3.7
137.05960	0.8
139.03918	5.3
139.07527	0.7
141.05481	2.3
145.10170	1.1
147.17255	0.6
149.09630	2.5
151.03894	1.5
151.07547	3.2
153.01939	0.6
153.05469	22.3
159.03271	0.7
159.11661	0.6
161.05893	0.7
163.11221	1.0
165.01825	1.1
165.05539	1.6
167.07031	1.3
167.10681	5.8
173.09636	5.4
181.12349	0.9
183.02852	1.0
191.10670	10.9
199.02533	0.7
203.10832	0.6
209.11740	57.1
217.92032	0.6
221.11700	3.4
247.38780	0.6
259.09671	1.6
280.26236	1.0
283.02518	1.1
297.14853	2.0
298.27460	0.9
300.02966	0.7
300.06262	3.6
315.04871	1.4
315.08389	9.7
315.15887	32.1
316.16415	0.9
316.28534	2.6
333.08801	0.8
333.19043	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1052
Annotation	S,S,S,-TRIBUTYLPHOSPHOROTRITHIOATE
Peak:m/z	Relative Intensity
50.26922	0.4
56.96590	0.5
70.06586	0.6
71.49609	0.7
72.93758	0.4
77.83583	0.4
84.08147	0.4
98.97577	1.1
100.46057	0.4
120.08159	0.7
138.09135	1.0
153.05243	1.5
153.06441	0.4
155.94022	0.4
156.10211	0.8
185.04318	0.8
315.10532	100.0
316.10806	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1595
Annotation	isobacteriochlorin
Peak:m/z	Relative Intensity
51.02372	0.3
53.03945	0.6
55.01869	0.6
55.05519	0.9
56.96576	0.7
57.03429	0.3
57.07077	0.4
66.27741	0.2
67.05505	0.8
69.03446	0.6
69.07075	13.1
69.40691	2.1
71.01376	0.3
77.03936	0.5
79.05505	1.8
81.03403	0.3
81.07050	1.0
83.04983	0.7
83.08626	0.6
85.02914	1.9
91.05503	0.7
93.07056	0.8
95.04977	1.1
95.08613	0.8
96.92268	0.3
97.02915	0.8
97.10172	0.6
98.61410	0.3
98.97594	1.0
99.04468	0.7
102.42194	0.3
105.03391	0.9
105.04507	0.3
105.07041	1.2
107.04966	100.0
107.08595	2.9
108.05302	0.5
109.02770	0.3
109.06509	0.7
111.04452	1.1
113.02361	0.8
116.98602	0.3
117.07088	0.4
119.08574	0.6
121.02858	1.0
121.06519	0.7
121.10177	0.7
123.04434	3.4
123.08061	0.3
125.06010	1.0
125.09633	1.5
131.08556	1.3
133.06479	1.3
133.10135	0.4
135.04425	4.6
135.07990	0.3
137.06006	0.4
139.02934	0.5
139.03920	5.1
139.07547	0.8
139.11217	0.3
141.05475	3.1
145.10136	1.0
145.28706	0.3
147.04436	0.3
149.09637	2.0
151.04022	0.3
151.07558	3.8
153.05484	21.0
161.09612	0.5
163.11148	1.2
165.05534	0.9
167.07057	1.4
167.10706	6.0
173.05995	0.4
173.09656	4.6
177.09119	0.7
181.12286	0.7
191.10692	12.0
195.08093	0.4
203.10652	0.5
209.11752	58.5
210.12070	0.6
221.11739	3.6
224.71436	0.3
227.07036	0.3
241.08493	0.4
259.09619	1.2
269.12567	0.6
283.09555	0.5
292.13776	0.3
297.14975	2.0
299.05447	0.5
300.06281	2.2
315.08591	3.4
315.15930	32.8
316.16138	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0867
Annotation	KOPARIN 2'-METHYL ETHER
Peak:m/z	Relative Intensity
51.65348	0.4
52.96188	0.4
55.01865	0.8
55.05503	0.9
56.96568	1.8
57.07071	0.5
57.63274	0.4
65.03942	0.4
67.05506	0.9
68.25301	0.3
68.99806	0.6
69.03419	1.1
69.07058	1.5
71.54975	0.5
75.80036	0.4
79.05485	0.8
81.03431	0.6
81.07053	1.6
85.02892	1.3
89.03928	0.6
91.05502	2.3
93.07030	1.0
95.04987	0.8
95.08591	1.7
97.02875	0.6
98.97578	2.5
103.05489	0.4
105.07033	0.9
107.04957	1.4
107.08620	0.8
109.02888	0.4
109.10126	0.8
113.06018	0.4
115.05508	0.4
116.98606	0.8
117.07078	0.6
118.04178	0.7
119.04936	2.3
119.08559	0.7
121.02891	0.7
121.06532	0.4
121.10163	0.7
128.06209	0.9
129.07022	1.0
131.04919	0.7
131.08519	0.4
133.10161	0.5
135.04372	0.6
137.02350	8.7
140.07095	0.5
141.07076	0.6
145.02864	0.5
147.04420	1.2
147.91069	0.4
148.07657	0.4
149.02377	2.9
151.03891	0.5
152.06216	0.6
153.01834	5.7
153.05463	1.3
153.06989	1.2
157.06570	0.6
158.99710	0.5
159.03259	0.8
159.11700	0.4
161.05988	1.3
161.16257	0.4
163.02721	0.6
163.03923	4.6
164.04730	0.8
167.03398	1.0
167.08470	0.4
169.06496	0.9
171.08070	1.1
171.89006	0.4
175.07516	0.5
177.00586	0.5
181.06517	2.8
184.05206	3.0
185.05983	0.5
187.03903	0.8
189.01982	0.5
189.05473	0.7
191.11954	0.6
195.02971	0.6
195.08109	0.5
197.05994	8.4
198.06715	1.8
199.07516	3.1
201.05481	1.0
208.05170	0.4
209.06000	1.1
209.11368	0.4
209.35522	0.4
211.03931	1.2
212.04713	10.6
213.05449	1.7
215.03438	1.8
219.01738	0.5
223.07385	0.5
224.04626	2.2
225.05470	7.8
225.10347	0.5
226.06248	11.4
227.06950	4.8
229.04977	1.8
237.05472	3.1
239.03369	2.9
240.04193	4.6
241.05011	0.7
244.03560	0.5
252.04149	1.9
253.05005	4.6
254.05779	6.9
255.06558	15.6
255.11180	1.7
257.04398	2.7
265.05142	1.4
265.08514	0.5
268.03683	1.3
269.04477	0.8
269.12869	0.7
271.06064	1.5
272.06888	0.6
282.05267	7.0
283.02454	3.6
283.06039	8.2
283.09576	1.5
285.03952	8.8
286.04578	0.4
297.07474	0.6
299.05420	1.8
300.03058	0.4
300.06305	9.6
315.05142	6.9
315.08624	100.0
315.13110	7.1
316.08990	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0865
Annotation	5,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
53.03960	0.3
55.01857	0.5
65.03939	0.7
65.55579	0.3
67.05499	0.9
68.99779	1.0
69.03429	1.0
69.07062	1.0
70.79385	0.8
73.02937	0.4
79.05470	0.4
81.03393	0.5
81.07046	1.2
84.96034	0.3
85.02902	0.6
91.05489	0.7
93.03422	1.0
93.07023	0.6
95.04937	1.0
95.08612	0.4
97.06551	0.5
98.97555	1.1
105.03391	0.7
105.07011	0.5
105.23848	0.3
107.04420	0.4
107.04979	4.1
108.57126	0.3
109.02879	0.5
111.04428	0.9
121.02863	0.9
121.10136	0.7
122.03632	0.4
123.04453	2.2
125.05991	1.2
125.34383	0.3
129.06949	0.5
131.08543	0.4
134.02634	0.6
134.03639	12.7
135.04431	0.4
137.02345	0.6
137.05989	2.4
138.03127	3.2
151.03917	16.9
153.01802	0.7
153.05482	13.5
161.02367	2.0
161.06009	0.5
161.50378	0.3
163.03935	0.5
166.02661	2.8
167.03410	15.1
174.06786	0.8
175.03906	1.5
175.07542	0.6
177.05449	0.6
178.06265	0.5
181.03392	0.7
181.04982	13.7
184.03752	1.6
189.09111	1.4
193.04976	0.7
201.05472	2.0
209.11710	1.6
213.05553	0.5
214.06198	0.5
216.04086	0.8
217.08621	3.4
225.05373	0.6
227.03259	0.5
227.07007	0.7
229.04840	0.5
229.08612	0.6
230.05743	4.1
231.06551	1.1
231.10271	0.4
234.84262	0.3
239.03395	0.4
240.04160	0.7
243.06471	1.7
244.03680	3.3
244.07307	0.6
245.08109	8.2
253.04901	1.8
255.02864	1.5
255.06609	1.0
257.04465	1.5
259.06024	0.5
259.09671	1.2
269.07944	0.5
271.02594	0.4
271.05902	1.0
272.03198	0.7
272.06720	0.9
273.07544	1.1
281.04477	0.5
282.05292	3.1
283.02350	8.2
283.05972	5.1
287.05496	1.8
287.08945	0.8
297.07593	4.5
299.05527	4.9
300.02667	2.3
300.06235	6.6
315.05002	12.5
315.08594	100.0
316.08997	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0865
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
55.05550	0.3
56.96609	0.4
57.14750	0.2
67.05540	0.4
68.99848	0.5
69.03472	0.3
69.07117	0.6
70.94221	0.4
75.91526	0.2
79.05552	0.3
81.07128	0.6
83.08674	0.2
90.91540	0.2
91.05524	0.3
93.07125	0.2
95.01401	0.3
95.08672	0.4
97.10237	0.2
98.97646	0.6
103.05536	0.2
105.03432	0.2
107.05032	0.8
107.08665	0.5
108.02162	0.3
109.10172	0.3
111.04524	0.3
114.83942	0.2
116.98728	0.2
119.08690	0.2
121.06586	0.3
121.10199	0.2
123.00820	1.1
128.06308	0.3
131.04990	0.3
133.02908	0.4
133.10176	0.3
134.03647	3.1
134.04596	0.3
137.02406	0.2
137.06026	0.2
138.03209	0.6
139.04039	0.2
139.05498	0.4
144.05798	0.4
145.06538	0.3
148.05246	0.6
149.06088	0.2
151.00374	0.2
151.03952	0.5
152.06258	0.2
153.01874	0.2
153.05467	0.3
155.04950	0.2
156.05782	0.3
159.04482	0.5
161.06035	0.3
161.09836	0.2
163.03967	0.3
164.04697	0.2
166.02620	1.7
167.03421	6.8
167.04810	0.4
169.01332	1.7
173.06122	0.6
175.03955	0.4
183.04492	0.4
184.03716	5.4
184.05270	0.8
187.04047	0.4
187.07574	0.4
192.04131	0.2
195.04440	0.9
197.06148	0.2
199.07608	0.3
201.05522	1.7
208.05324	0.3
209.11734	0.2
211.03972	0.6
212.04720	2.9
213.05508	0.7
215.07050	1.1
216.04187	0.2
216.07832	1.6
219.54901	0.3
223.03984	0.5
227.03485	0.4
227.07053	1.8
228.04282	0.6
229.04993	3.2
239.03389	0.5
240.04193	5.8
241.04996	0.4
243.06557	6.9
244.03700	0.6
244.07326	4.6
254.05815	0.4
255.03015	0.7
255.06522	5.4
257.04413	1.4
259.06683	0.4
259.09738	2.2
267.02863	1.2
268.03699	4.1
269.08292	0.2
271.06107	1.6
272.06790	2.6
283.02444	5.9
283.06067	7.2
283.09460	0.5
284.03214	0.6
285.04010	1.3
287.05493	0.8
287.08841	0.4
299.05545	6.1
300.06302	33.2
301.06860	0.3
315.08621	100.0
316.08911	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0865
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
55.05508	1.3
56.96556	1.6
59.07148	0.4
60.04520	2.0
63.01536	0.4
67.05504	2.3
68.99794	0.8
69.03448	0.4
69.07062	1.7
71.04997	0.5
71.55775	0.5
76.07965	0.4
79.05483	1.0
81.07052	2.2
83.04960	1.1
83.08626	0.5
85.02896	0.7
85.06536	0.6
91.05496	1.6
93.07034	1.8
95.04986	0.7
95.08604	2.2
98.97585	2.0
105.03375	0.7
105.07034	1.8
106.05033	1.5
107.04942	1.0
107.08575	1.4
109.02854	0.7
109.06508	0.6
109.10165	1.1
117.07039	0.6
119.08569	1.3
121.06493	0.5
121.10185	0.5
123.04442	0.4
123.11678	1.0
127.28359	0.5
131.04915	0.6
133.02835	0.6
133.10136	0.6
134.03610	0.8
135.08057	0.6
137.02376	0.6
137.05986	2.6
145.10098	1.0
145.58691	0.5
147.04417	0.7
148.05203	1.7
151.03946	1.2
152.06268	0.6
153.01849	1.3
153.05475	1.5
158.99663	0.7
159.11702	0.6
161.06003	1.0
165.06998	0.6
167.03413	2.8
184.05229	0.9
189.01877	0.7
191.07126	0.6
191.11963	0.6
195.08072	1.0
197.05968	1.3
198.06827	0.6
199.07562	0.6
201.05475	0.9
208.05261	0.7
209.11723	1.0
215.07048	1.0
223.07433	0.7
225.05574	2.0
226.06198	1.4
227.07019	1.1
228.04218	1.2
229.04958	8.5
240.04210	1.2
243.06552	5.5
244.03752	1.3
244.07266	1.5
252.16092	0.9
253.05048	2.7
254.05766	2.8
255.06514	1.7
255.10387	0.8
257.04456	6.4
259.09711	0.5
261.42123	0.5
265.08688	0.5
268.03656	0.9
269.04510	0.7
271.06033	4.1
272.06671	0.7
281.04483	2.1
282.05267	4.2
283.02438	1.6
283.05994	3.4
283.09689	2.6
285.03900	5.1
286.04614	2.3
298.16574	0.8
299.05450	5.8
300.06293	46.1
301.06613	0.6
315.05170	6.1
315.08618	100.0
316.08868	0.9
329.14117	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0864
Annotation	6,3',4'-Trihydroxy-4-methoxy-5-methylaurone
Peak:m/z	Relative Intensity
53.00311	1.1
55.01863	1.4
55.05495	1.2
56.96548	1.5
59.62812	0.4
59.86793	0.4
60.04525	1.1
65.03946	2.8
65.45425	0.4
67.05508	4.7
68.99789	2.1
69.03423	1.0
69.07070	2.9
69.61485	2.9
79.05486	1.3
81.06583	0.4
81.07050	1.7
82.04217	0.5
83.04971	0.8
85.02914	2.9
85.06519	0.4
85.34386	0.4
91.05467	0.8
93.03410	4.4
93.07048	1.0
95.04956	1.5
95.08609	2.0
95.65980	0.4
97.02936	0.5
97.06549	2.5
98.97588	2.4
105.07039	0.9
107.04962	20.2
107.08602	0.9
109.06510	0.5
109.10159	0.9
110.03657	1.4
111.04450	1.0
112.84445	0.5
116.98617	1.6
121.02885	4.9
121.06603	0.6
123.04444	2.8
125.05991	7.6
125.06859	0.7
129.07077	0.5
131.08540	0.5
133.02852	1.3
133.10127	0.6
135.04430	1.7
135.08000	0.5
137.02313	0.8
137.06030	0.4
138.03134	5.5
139.03903	1.2
147.04369	0.6
149.05980	0.5
151.03914	100.0
153.05473	75.3
159.03304	0.5
161.06078	0.5
163.03923	1.1
167.10727	0.9
168.95828	0.4
169.06445	0.5
173.09602	0.9
173.76485	0.4
175.03929	9.7
177.05481	4.8
178.06270	4.1
181.01335	0.5
191.03397	1.7
191.10707	2.2
193.05025	1.4
197.06001	1.0
203.02284	0.6
209.09776	0.5
209.11746	10.8
221.11667	0.5
225.05594	0.7
246.55548	0.4
255.06464	0.7
279.92459	0.4
283.06009	1.8
287.09134	0.7
300.06271	1.9
315.04916	3.0
315.08545	10.1
315.15897	8.1
315.19284	0.9
333.08615	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0866
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
55.05496	1.0
56.90629	0.6
56.96565	2.5
59.02395	0.6
60.04528	3.6
67.05491	2.3
69.03413	0.7
69.06744	0.5
69.07081	4.0
71.04986	0.8
73.02895	0.7
79.05491	2.0
81.03400	0.7
81.07062	2.0
83.04987	0.9
85.02925	0.6
89.56152	0.6
91.05467	1.2
93.07041	1.5
95.04964	0.7
95.08594	1.6
98.20798	1.6
98.97583	2.8
102.04700	1.3
105.07020	1.3
107.04964	25.8
107.08612	1.5
108.02116	6.2
109.10178	0.9
111.04456	1.2
113.06013	0.6
114.29446	0.6
114.30215	0.7
116.98650	2.2
118.04166	2.2
119.04922	1.1
119.08601	1.3
120.95566	0.6
121.02894	1.0
121.10158	1.3
123.04426	1.4
130.04199	0.6
131.08611	0.8
135.04469	1.0
135.11679	0.9
139.03906	2.0
141.05482	1.0
148.05128	0.6
149.13182	0.6
153.01926	0.9
153.05490	5.3
159.03337	1.1
161.06007	1.9
163.11180	0.6
167.10692	1.9
169.06477	2.5
170.07321	1.8
173.09671	1.7
180.05807	0.7
181.06465	0.9
191.10678	2.8
197.06004	1.9
199.02400	1.0
209.11742	16.9
225.05476	1.2
226.06270	21.4
252.04076	0.7
253.04968	2.6
254.05765	39.7
255.06091	0.7
257.04456	1.9
270.54910	0.8
271.06271	3.3
278.24884	0.7
280.05557	1.5
281.04520	1.0
282.05252	30.1
283.02374	1.4
283.05634	1.2
285.03967	1.4
299.05493	3.9
300.06302	15.1
314.26871	1.3
315.05292	4.2
315.08624	100.0
315.16135	7.9
315.27115	1.0
316.08917	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0863
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
55.05531	0.4
57.19140	0.2
57.85797	0.2
60.69169	0.3
67.05524	0.6
68.99797	1.5
69.07082	0.3
70.66573	0.7
71.83205	0.3
74.21512	0.2
79.05505	0.4
81.07064	0.5
91.05517	0.8
93.07071	0.4
95.01355	0.3
95.04989	0.4
95.08596	0.5
98.97631	0.5
99.04466	0.2
103.55384	0.3
105.07063	0.7
107.04937	1.6
107.08613	0.5
109.10188	0.3
111.04499	0.3
117.03453	0.3
117.07040	0.2
119.04936	0.4
119.08532	0.2
121.06577	0.3
121.10189	0.5
123.00859	0.3
131.04953	0.6
132.05719	4.0
133.02885	0.3
133.06509	0.9
134.03703	0.9
135.04442	0.4
135.07994	0.3
135.11717	0.3
137.02377	0.5
138.03084	0.4
140.01085	0.9
145.06586	0.3
148.05286	0.3
151.03900	1.6
153.05453	1.3
155.04951	0.4
155.50650	0.2
157.64941	0.3
158.99664	0.3
159.04482	0.5
161.06017	0.6
166.02692	0.3
167.03427	2.6
167.04784	0.4
168.00545	4.6
169.01485	0.5
173.06059	0.3
175.03920	0.4
181.06635	0.3
182.11340	0.3
183.04492	0.5
184.03745	1.1
184.05186	0.6
185.06024	0.3
186.01588	1.6
187.04001	0.6
191.10596	0.3
195.04395	0.3
197.05966	0.3
198.06812	0.4
201.05406	0.5
209.11748	0.9
211.04004	0.8
212.04807	1.1
213.05618	0.4
215.06969	0.5
216.07805	0.5
223.03871	0.3
225.05573	0.3
226.06253	0.7
227.07118	0.9
228.03963	0.3
229.04961	2.8
239.03429	0.5
240.04141	1.5
241.04993	0.7
243.06502	2.7
244.03741	1.0
244.07277	1.7
253.05092	0.3
254.05754	1.4
255.02876	0.3
255.06493	2.1
255.10791	0.3
257.04453	4.5
259.05939	0.3
259.09695	0.7
267.02814	0.8
268.03665	0.9
269.04391	1.3
269.08060	0.8
271.06067	1.9
272.03763	0.4
272.06787	2.4
282.05246	0.6
283.02393	4.8
283.06027	2.6
283.09488	0.7
283.24078	0.3
284.03088	0.5
285.03940	9.7
287.05417	1.1
297.04230	0.6
297.07706	0.7
299.05505	9.9
300.06277	62.4
301.06735	0.6
315.05344	4.2
315.08600	100.0
316.08945	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.9
51.31122	0.5
53.03931	0.6
55.01865	1.1
55.05513	1.4
56.96556	1.2
57.03408	0.6
57.07085	7.5
58.06602	1.0
62.06096	3.0
67.01868	5.9
67.05506	2.9
68.99799	11.0
69.03428	1.8
69.07077	3.1
69.47138	1.3
69.47547	3.1
71.08633	3.4
72.08143	0.5
73.30855	0.5
79.01861	6.3
79.05483	3.0
81.07065	3.7
83.01348	45.1
83.04974	0.7
83.08619	1.3
85.10165	1.4
88.52613	0.5
91.05471	1.3
93.07053	2.2
95.01309	0.8
95.08608	4.1
97.02895	2.5
97.10163	1.3
98.97604	0.9
105.07021	2.3
107.01331	3.7
107.04955	3.7
107.08585	1.7
109.10153	1.5
110.45322	0.6
111.04494	0.8
111.11676	0.5
119.08548	0.8
121.06531	5.4
121.10161	2.4
123.11746	0.7
125.02338	1.2
129.05489	0.7
131.08548	0.7
135.00812	2.7
135.04430	0.6
135.08060	18.0
135.11667	1.3
137.13232	0.6
148.68222	0.5
151.03867	0.6
153.01845	7.7
153.05446	1.3
163.14798	0.5
171.02917	0.8
174.18564	1.0
179.03349	0.8
180.21138	0.5
181.01331	88.4
191.10722	0.7
193.19385	0.7
199.02393	100.0
200.02785	0.6
202.21750	1.6
207.02965	4.9
209.11765	2.1
219.21045	3.6
237.22139	1.5
240.26810	1.9
258.27930	12.3
259.28259	2.0
273.07632	0.5
279.23102	0.8
296.33499	0.6
300.06256	1.5
306.33881	0.5
314.34195	39.0
315.08603	16.8
315.16141	2.6
315.30811	0.5
315.34555	11.6
333.08774	0.7
333.17389	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0864
Annotation	Aglalactone
Peak:m/z	Relative Intensity
55.01868	0.5
57.53897	0.5
67.05496	1.3
68.99814	0.5
69.03426	0.6
69.07066	2.8
69.76754	0.4
70.71333	1.3
77.03909	0.5
79.05486	1.1
81.07053	1.6
91.05478	1.6
94.04197	2.9
95.04982	0.9
95.08570	0.4
95.67702	0.4
98.97572	1.3
101.01764	0.5
107.04958	16.9
109.06522	3.1
111.04468	0.6
119.04931	0.6
121.02836	0.4
122.03664	6.5
123.04436	14.8
128.06190	0.4
129.07039	0.7
135.04454	1.0
136.89745	0.4
137.05984	100.0
138.06305	0.5
139.03912	1.0
147.04422	0.8
151.03940	3.0
151.07544	0.9
152.80739	0.4
153.05469	5.3
153.06886	0.8
167.10689	1.0
173.09648	1.0
181.06564	0.5
184.05298	1.4
191.10715	1.7
197.05994	0.7
198.06686	0.5
199.07558	2.1
201.05437	0.5
209.11758	9.7
212.04704	3.1
227.07054	1.4
228.04269	0.5
229.05159	0.6
240.04128	0.6
241.04947	1.0
243.06578	1.4
255.06544	16.2
256.04092	0.6
256.07245	1.5
257.04449	0.8
259.09683	53.4
271.06000	3.1
272.06918	2.1
283.06143	1.0
283.09732	0.6
286.08380	3.8
287.09164	25.7
300.06265	1.1
315.08661	8.5
315.12280	0.5
315.15948	6.7
315.19431	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0864
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
56.96553	0.6
60.04500	1.0
60.53510	0.4
60.97612	0.4
67.05491	0.6
68.99776	0.9
69.07040	1.2
70.86004	0.5
70.86338	0.6
79.05466	0.4
81.07040	0.6
89.03892	0.5
91.05483	0.7
93.07022	0.4
95.08558	0.4
98.97552	1.0
105.06956	0.5
107.04957	9.1
107.08563	0.9
109.10170	0.5
116.98611	0.7
117.06956	0.4
119.08519	0.3
121.06493	0.5
121.10085	0.3
129.03253	0.4
132.05704	3.7
133.06490	1.0
134.03621	2.5
135.04404	0.4
137.02307	0.5
137.46309	0.4
138.03101	1.3
139.03835	0.4
139.91328	0.3
140.01006	1.1
151.03951	0.6
153.05421	2.5
159.03175	0.4
161.02428	0.5
163.03865	0.7
165.01854	0.7
166.02654	1.5
167.03410	5.9
167.10599	0.5
168.00543	3.3
171.08156	0.3
173.05818	0.5
173.09578	0.5
173.13188	0.3
181.09593	0.3
183.04449	0.5
184.03635	1.5
184.05148	0.4
186.01572	1.1
191.10611	1.6
197.05940	0.4
199.07590	0.5
201.05489	0.5
209.11729	5.7
212.04662	1.4
215.06998	0.5
216.07805	0.6
226.06342	0.7
227.06998	1.4
229.05045	1.7
240.04166	2.2
241.04985	0.6
243.06551	7.0
244.07257	2.0
254.05768	0.6
255.06567	5.3
257.04434	2.7
259.09738	0.9
268.03787	0.8
269.04523	0.7
271.06076	2.0
272.06781	1.9
282.05133	0.4
283.02805	0.8
283.06003	6.3
285.00830	0.5
285.03958	7.8
299.05533	8.3
300.06293	57.0
301.06482	0.8
302.04269	0.7
315.08621	100.0
315.15805	3.5
316.08871	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02402	0.5
51.47408	0.3
51.99942	0.3
55.01875	0.8
57.03437	0.7
57.07080	1.3
61.67581	0.3
63.19174	0.2
64.87277	0.3
66.48923	0.3
67.01522	0.6
67.01869	5.8
67.05499	0.4
68.99796	9.4
69.03436	1.8
69.07064	0.4
70.01566	1.6
71.08640	0.7
72.08958	0.4
79.01857	5.3
79.05505	0.6
83.01349	44.1
83.08615	0.3
95.01328	0.8
95.04984	0.4
95.62962	0.3
97.02911	1.5
98.97578	0.7
105.07043	1.5
107.01321	3.5
107.04935	0.7
109.10179	0.3
120.05762	0.5
121.06506	4.0
125.02352	1.9
135.00778	2.4
135.08061	15.6
136.04968	0.3
151.03944	0.5
153.01846	6.2
161.06015	0.5
171.02895	0.9
179.03378	1.4
181.01331	79.2
182.01688	0.5
199.02393	100.0
200.02757	0.4
207.02933	4.4
209.11780	0.5
273.07584	0.4
300.06235	1.0
314.27802	0.8
314.34195	4.8
315.08624	14.7
315.19327	0.5
315.22913	0.4
315.28326	0.4
315.34540	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
53.03931	0.6
55.01856	1.1
55.05507	0.6
56.85703	0.5
56.96554	1.1
57.03402	0.7
65.30452	0.5
67.01597	0.5
67.01868	5.1
67.05494	1.5
68.99444	0.6
68.99796	9.2
69.03406	1.8
69.07038	1.3
71.54807	0.5
71.55286	0.7
71.95265	0.6
79.01873	3.4
79.05482	1.1
81.03385	0.5
81.07050	1.1
83.01349	37.4
83.04990	0.7
91.05497	0.9
93.07024	1.2
95.01318	0.8
95.04972	0.7
97.02882	2.1
98.97568	1.8
105.03368	1.5
105.07006	1.5
107.01305	3.0
107.04970	4.6
107.08544	0.9
111.04395	0.7
112.04530	0.5
116.98614	1.0
121.06527	4.0
121.10170	0.6
123.04392	0.7
125.02352	1.5
131.08551	0.6
135.00771	1.9
135.08067	14.6
137.02449	0.5
141.02260	0.5
149.05968	2.1
151.03922	0.7
151.07567	0.5
153.01823	6.2
153.05440	1.3
159.03261	0.6
161.05980	0.6
165.01842	2.9
179.03407	0.7
181.01332	61.1
183.02917	1.7
195.02933	0.9
199.02393	100.0
207.02869	3.4
209.10078	0.5
209.11694	3.4
213.03958	1.4
219.27116	0.5
221.98486	0.7
225.34958	0.5
239.99521	1.0
251.02327	0.9
254.01085	0.8
269.03442	1.4
272.02213	0.9
300.06262	2.3
315.08597	15.9
315.15906	2.0
333.08493	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.7
55.01880	1.1
67.01864	4.9
68.99440	0.6
68.99792	8.5
69.03415	1.3
69.62922	0.9
69.63329	1.9
79.01853	4.0
81.03404	0.4
83.01347	36.5
95.01328	0.8
97.02888	1.3
105.07018	1.5
107.01314	3.0
119.59978	0.3
120.05734	0.3
121.06506	3.7
125.02362	1.3
129.21873	0.4
130.65807	0.4
133.75270	0.3
135.00790	2.2
135.08063	14.8
153.01833	7.1
163.00296	0.7
171.02945	0.5
177.27132	0.4
179.03403	1.2
181.01328	100.0
182.01703	0.7
199.02388	67.6
207.02904	4.3
315.08624	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	315.0502
Annotation	Wedelolactone
Peak:m/z	Relative Intensity
56.96564	0.5
60.04520	0.5
67.05489	0.3
68.99789	1.4
69.07062	0.5
70.72344	0.5
72.88332	0.2
78.41593	0.2
79.05507	0.2
81.07050	0.4
88.69240	0.2
91.05498	0.2
92.33070	0.2
95.08565	0.2
98.97586	0.6
107.04966	3.8
109.02873	0.7
115.05457	0.4
116.98640	0.3
119.08600	0.2
131.01300	2.2
131.04918	0.3
133.06551	0.2
135.04454	0.2
136.01584	0.2
137.02327	0.2
139.03871	0.3
147.04500	0.3
149.02307	0.3
153.01823	1.0
153.05513	1.0
155.04904	0.6
158.03717	0.2
160.05222	0.5
167.10713	0.2
171.04401	0.9
174.03168	0.3
175.03961	0.4
178.02925	0.2
183.04517	0.2
187.03955	0.7
188.04643	1.0
191.10733	0.4
193.01367	0.7
199.03943	1.1
200.04735	0.4
200.85376	0.2
202.02588	1.8
203.03387	0.6
203.07066	0.4
209.11742	2.3
211.03847	0.2
215.03305	1.3
216.04199	3.9
217.01343	0.2
226.02644	0.3
227.03397	2.1
228.04221	0.7
230.02107	0.3
241.01372	0.6
241.04887	0.3
243.02972	1.2
244.03690	25.8
245.04073	0.2
254.02129	0.3
255.02905	9.8
256.03641	0.4
259.06046	4.7
271.02393	4.1
272.03183	5.5
283.02393	57.0
284.02936	1.9
287.05508	10.0
300.02667	20.4
301.03009	0.3
315.04993	100.0
316.05283	2.0
321.84119	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32554	0.4
56.96531	0.5
61.52316	0.4
65.03938	0.4
67.05494	0.5
69.03459	0.6
69.07050	0.6
70.02947	1.4
70.06577	1.3
70.50308	0.6
72.08134	0.7
74.00661	1.3
79.05467	0.6
81.07039	0.5
83.19396	0.4
84.04494	0.6
86.06020	0.4
86.09701	0.9
87.98723	0.5
88.03488	0.8
88.03999	11.0
98.97571	0.6
109.01102	2.0
110.97564	0.5
117.99604	1.0
120.01172	0.8
121.00230	0.9
121.01099	17.9
135.02609	0.5
136.06184	0.8
137.00569	3.5
140.26555	0.5
142.76529	0.5
149.00574	49.2
152.07056	1.3
163.02135	0.8
165.00075	12.7
166.00861	5.8
167.01624	1.2
179.07071	0.7
181.03241	1.3
192.55606	0.5
192.99561	27.4
194.00343	35.2
207.01126	0.5
208.04259	1.1
209.02687	100.0
224.07426	0.5
225.02170	3.6
242.24370	0.4
254.04840	0.6
296.18359	0.5
297.04407	0.7
314.07074	3.6
314.19632	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	314.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
56.96576	3.3
57.03434	1.5
57.07075	0.6
59.14999	0.6
61.01136	0.9
61.02924	0.9
62.06100	2.7
67.05527	0.8
69.03434	3.2
70.06593	3.5
71.04980	0.7
71.54486	1.0
73.02926	1.2
75.02724	0.5
81.03436	1.0
82.14944	0.5
83.04968	0.4
83.96420	0.5
84.04510	1.2
84.08163	0.9
85.02908	3.8
86.09718	0.9
87.04475	1.0
91.05473	0.9
92.05035	0.5
95.06092	1.7
97.02903	47.6
98.97604	4.3
108.08128	7.3
109.02882	0.6
110.07119	0.8
110.97573	0.7
111.04430	0.6
116.07087	0.7
116.98652	2.7
119.01919	0.8
119.03594	0.7
119.04932	1.0
120.01970	0.5
124.07634	1.3
127.04003	1.2
128.98596	0.6
131.01892	0.5
133.09802	0.4
134.06047	1.6
134.09671	0.6
134.99667	1.0
136.06201	100.0
138.05521	1.2
139.03944	1.2
140.93097	0.5
143.00172	0.5
143.01695	3.3
147.04434	2.2
152.07066	6.3
152.10719	4.9
154.94197	0.6
156.02087	0.5
156.97495	0.6
158.99623	0.9
161.02832	2.1
163.03918	0.9
164.05696	5.4
164.06969	0.9
172.95216	1.1
177.00763	0.8
178.07286	2.4
179.03793	1.5
185.06616	0.5
186.04425	0.6
209.02609	0.7
211.14543	1.3
213.00220	0.7
219.01830	0.7
225.03743	0.5
232.08275	0.6
232.57559	0.6
237.02925	0.6
248.07858	1.1
250.09454	0.9
250.51613	0.5
270.21771	0.7
276.09967	1.1
278.07101	1.0
294.11047	1.1
296.08197	3.4
314.09155	7.7
314.12424	6.8
315.03268	1.0
315.07565	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	9.9
57.03439	26.3
57.07079	70.3
58.85333	0.6
59.19569	0.7
63.70794	0.6
67.05167	1.3
67.05505	12.9
69.07070	13.6
69.37904	5.3
71.08633	44.6
75.04477	1.0
79.05481	2.1
81.07058	18.9
83.04979	1.4
83.08147	1.1
83.08627	13.6
85.06560	0.8
85.10185	23.6
89.06040	4.1
93.07034	1.8
95.08611	26.5
97.06529	0.8
97.10170	7.5
98.20744	0.9
99.11743	1.5
103.07589	2.1
109.10146	12.1
111.11731	2.1
117.09120	1.2
119.97652	0.6
121.10186	0.9
123.11718	5.3
135.11665	0.9
137.13255	2.9
239.23721	3.8
257.24756	7.4
313.07043	2.3
313.27377	100.0
314.27725	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81058	0.7
55.05516	11.7
57.03160	0.7
57.03445	22.3
57.07082	65.7
60.99883	0.6
67.05512	13.2
69.07075	11.2
71.05013	1.2
71.08637	43.9
75.04482	0.8
79.05506	1.5
81.07067	17.8
83.04967	2.9
83.08625	15.1
85.06535	1.5
85.10188	22.9
89.06046	3.9
91.05521	1.1
93.07030	1.1
95.08616	25.5
97.10183	6.5
98.20712	1.8
103.07588	3.0
103.46567	0.7
105.07057	1.0
105.19674	0.6
107.08585	1.3
109.10172	11.8
111.04436	1.3
111.11730	1.2
117.09144	0.9
121.10120	1.3
123.11726	4.3
125.13342	1.0
137.13281	3.0
146.57431	0.7
147.11641	1.1
156.10008	0.7
159.85518	0.7
169.34628	0.7
239.23647	4.0
240.04149	0.8
257.24725	6.7
268.03610	1.3
298.04956	1.7
298.27353	0.8
313.07278	6.3
313.10712	1.2
313.27390	100.0
314.27991	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16730	0.3
51.01539	0.4
53.03950	1.2
55.01893	0.4
55.05516	35.2
57.07100	0.9
67.05509	1.5
68.99792	1.5
69.03460	0.5
69.07072	18.4
69.59680	0.4
70.55882	0.3
71.08623	0.6
71.55489	0.5
79.05500	2.0
81.03426	1.4
81.07059	1.8
83.04996	0.8
83.08617	0.5
85.10175	0.4
91.05482	2.0
93.07042	0.8
95.04945	0.7
95.08607	2.6
97.02908	1.0
97.10178	62.7
98.10529	0.4
98.97582	0.6
99.08108	0.7
105.07040	1.4
107.04968	0.7
107.08601	2.3
109.02950	0.8
109.06566	0.9
109.10167	0.8
111.04469	1.0
119.04982	1.1
119.08588	3.1
121.02844	0.4
121.06528	2.8
121.10133	0.6
123.00795	3.2
123.04408	1.1
123.08099	1.9
125.02367	8.9
129.07036	0.6
133.06543	0.7
135.04434	1.5
137.02345	3.6
137.09630	0.6
144.42941	0.3
147.04413	3.9
147.08095	2.3
151.07558	4.2
153.05479	11.4
155.03401	6.2
165.09129	2.1
166.09790	0.3
175.07567	0.7
190.60402	0.4
193.08623	44.9
194.09018	0.5
196.19562	0.4
211.09668	100.0
212.10089	1.0
224.09633	0.3
255.06761	0.5
283.05942	0.6
298.04865	1.1
309.79346	0.4
313.07138	4.6
313.10965	0.8
313.14334	13.2
313.17532	0.8
313.27408	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1434
Annotation	Gancaonin V
Peak:m/z	Relative Intensity
55.01878	4.7
55.05520	0.6
56.96552	0.6
57.07063	1.2
67.05496	1.5
68.99780	1.6
69.07056	1.5
69.45361	0.8
69.45770	2.9
71.08624	0.5
79.05483	0.7
80.60046	0.4
81.03400	0.4
81.07056	1.2
82.85619	0.3
83.05001	0.6
91.05482	2.8
91.06737	0.4
93.07050	0.8
95.08626	1.0
103.05492	0.6
105.07048	0.6
107.04958	0.8
107.08595	0.4
108.61012	0.4
109.10113	0.4
117.07016	0.6
119.08599	1.1
121.06413	0.4
121.10156	0.6
123.00795	0.5
128.06253	0.7
131.08524	0.5
133.06512	2.3
133.10246	0.4
135.04414	0.9
141.01814	4.3
144.05759	0.6
145.06572	0.5
147.08072	8.0
157.10042	0.4
159.08078	1.8
161.05995	39.5
165.01917	0.4
171.08060	1.4
174.06726	0.5
183.03021	0.5
183.08115	0.9
185.05966	0.8
187.07573	1.5
189.09109	0.7
195.08055	0.5
203.07022	1.1
211.07425	0.5
213.05569	0.5
215.07066	11.2
233.08075	0.6
239.06999	1.5
240.04147	0.6
243.26245	0.4
245.08110	0.8
257.08112	100.0
258.08420	1.3
268.03839	0.5
268.26453	0.8
295.22650	1.0
298.04730	0.6
313.07104	4.2
313.10675	0.8
313.14316	8.8
313.21732	0.8
313.27585	0.9
313.32001	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1071
Annotation	67858-30-4
Peak:m/z	Relative Intensity
53.03938	0.2
55.01872	1.1
55.05514	1.0
57.03437	1.4
57.07079	7.8
67.01532	0.4
67.01868	5.4
67.05505	2.0
68.99796	3.1
69.03429	1.6
69.07068	1.2
70.14374	0.4
70.14781	0.7
71.08636	4.5
78.48515	0.2
79.01815	0.3
79.05500	0.4
81.03422	0.4
81.07050	1.8
83.01337	0.7
83.04978	0.2
83.08611	1.3
85.02892	0.2
85.10185	2.7
86.62789	0.2
89.06009	0.3
91.05480	2.4
91.28458	0.2
93.07059	0.2
95.05010	0.4
95.08617	2.6
97.02915	1.3
97.10175	0.7
99.35022	0.2
100.22097	0.2
103.05464	0.9
104.68669	0.2
105.07040	0.4
107.04946	2.6
107.08617	0.2
109.10156	1.1
111.00832	1.0
111.04449	0.3
115.05463	1.8
116.06231	0.7
117.07049	1.2
119.04965	0.5
123.04430	1.3
123.11674	0.4
125.02341	0.6
127.03914	0.5
129.01868	0.6
129.06998	0.6
131.04921	2.2
131.07596	0.2
131.08571	4.6
133.06494	0.6
135.08058	0.3
137.13266	0.3
139.03853	0.3
141.06989	5.1
144.05713	4.7
145.06497	4.6
146.03645	0.3
147.04428	0.3
147.08032	1.7
151.03934	0.8
153.01833	100.0
154.02187	0.6
155.05974	0.6
159.04430	2.0
159.08066	7.5
161.06013	0.6
161.09627	3.1
163.07448	1.1
169.06473	3.9
169.07686	1.3
170.07217	0.3
171.02895	13.2
171.05583	0.6
179.03406	4.6
179.05984	0.2
187.07550	21.6
188.07974	0.4
201.09140	0.3
215.07030	0.2
229.08646	0.7
239.23755	0.4
257.24811	0.2
267.06543	0.7
271.09705	0.5
280.07401	0.2
295.09592	0.5
313.10693	54.9
313.27365	17.4
314.11002	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0706
Annotation	3-Hydroxy-4-methoxy-8,9-methylenedioxypterocarpene
Peak:m/z	Relative Intensity
55.05517	0.6
67.05495	1.3
73.31290	0.5
79.71254	0.4
81.07056	1.2
91.05439	0.6
93.07076	0.8
95.08641	0.7
98.21568	0.7
107.04947	2.1
121.10152	0.7
123.04446	0.6
137.02374	1.0
151.03918	1.0
161.02386	4.0
162.03133	46.0
163.03867	0.7
184.05232	2.3
189.01828	0.8
200.04764	1.3
212.04701	11.1
215.03273	0.6
223.03912	1.2
224.04713	3.3
225.05489	0.6
227.03571	0.7
227.07031	0.9
228.04265	0.7
240.04190	8.3
241.04926	1.2
255.06535	6.1
257.07932	0.7
268.03650	4.5
269.04480	1.1
281.01346	0.8
281.04456	20.5
283.05945	4.1
297.03882	3.0
298.04736	45.9
312.25153	0.7
313.07068	100.0
313.25473	1.5
314.07428	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0709
Annotation	Acicerone
Peak:m/z	Relative Intensity
55.05498	0.6
56.96558	0.6
57.03419	0.4
57.07046	0.5
65.03952	0.3
67.05484	1.2
68.99763	0.4
69.03433	0.4
69.07038	0.6
70.23967	1.3
70.64487	0.3
73.02913	0.3
79.05472	0.5
81.03377	1.0
81.07025	1.1
83.08597	0.6
85.02897	0.7
91.05473	0.6
93.07017	1.2
95.04920	0.6
95.08592	0.8
97.06471	0.3
97.10137	0.3
98.97569	0.5
105.07011	1.0
107.04922	1.1
107.08563	0.6
109.10147	0.6
111.08107	0.3
119.08549	0.7
121.06461	0.4
121.10113	0.6
131.08614	0.3
133.10121	0.5
135.08003	0.3
147.08109	0.3
147.11711	0.4
151.03883	0.3
151.07503	0.5
171.04434	1.0
185.02347	1.4
186.06683	0.5
193.08562	0.7
193.12193	0.4
199.03911	3.5
201.05478	1.2
201.09760	0.5
207.13724	0.4
209.02364	0.6
213.09686	0.5
214.06219	1.0
214.09978	0.6
225.05353	0.5
227.01173	0.3
227.03421	6.6
231.10817	1.3
232.11066	0.9
233.10497	0.5
242.05797	1.6
249.14868	1.1
253.11200	0.3
255.02914	10.4
258.73331	0.3
269.04324	0.6
270.05252	2.7
283.02399	31.9
284.02716	0.4
284.06857	0.5
285.07510	0.4
286.50497	0.3
298.04736	76.9
299.05145	1.1
313.07077	100.0
313.19455	2.2
314.07559	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.6
56.96558	0.6
57.03419	0.4
57.07046	0.5
65.03952	0.3
67.05484	1.2
68.99763	0.4
69.03433	0.4
69.07038	0.6
70.23967	1.3
70.64487	0.3
73.02913	0.3
79.05472	0.5
81.03377	1.0
81.07025	1.1
83.08597	0.6
85.02897	0.7
91.05473	0.6
93.07017	1.2
95.04920	0.6
95.08592	0.8
97.06471	0.3
97.10137	0.3
98.97569	0.5
105.07011	1.0
107.04922	1.1
107.08563	0.6
109.10147	0.6
111.08107	0.3
119.08549	0.7
121.06461	0.4
121.10113	0.6
131.08614	0.3
133.10121	0.5
135.08003	0.3
147.08109	0.3
147.11711	0.4
151.03883	0.3
151.07503	0.5
171.04434	1.0
185.02347	1.4
186.06683	0.5
193.08562	0.7
193.12193	0.4
199.03911	3.5
201.05478	1.2
201.09760	0.5
207.13724	0.4
209.02364	0.6
213.09686	0.5
214.06219	1.0
214.09978	0.6
225.05353	0.5
227.01173	0.3
227.03421	6.6
231.10817	1.3
232.11066	0.9
233.10497	0.5
242.05797	1.6
249.14868	1.1
253.11200	0.3
255.02914	10.4
258.73331	0.3
269.04324	0.6
270.05252	2.7
283.02399	31.9
284.02716	0.4
284.06857	0.5
285.07510	0.4
286.50497	0.3
298.04736	76.9
299.05145	1.1
313.07077	100.0
313.19455	2.2
314.07559	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0322
Annotation	N-desmethyl-gliotoxin
Peak:m/z	Relative Intensity
57.17624	7.3
62.42816	7.8
97.51679	6.7
98.21584	17.7
132.02177	10.9
138.05516	13.9
140.46445	7.4
160.38722	7.4
176.01099	18.7
215.29015	7.4
313.03143	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0703
Annotation	Prosogerin A
Peak:m/z	Relative Intensity
53.00344	0.1
53.03946	0.3
55.01870	0.2
57.03430	0.2
57.15618	0.1
65.03603	0.1
65.03945	1.0
67.01865	0.2
67.05502	0.1
68.99787	0.8
69.03420	0.1
69.57943	0.4
77.03938	0.1
81.03419	1.6
83.01350	0.1
83.04974	0.1
85.02908	1.3
91.05476	0.4
93.03408	0.8
94.04204	0.1
95.04965	0.2
97.02914	0.2
98.20708	0.1
105.03391	0.3
107.01315	0.2
107.04948	0.2
109.02147	0.1
109.02892	1.2
110.03654	0.1
111.00833	0.1
111.04471	0.2
118.04195	0.2
119.04951	2.0
120.05736	0.2
120.08109	0.8
121.02872	8.0
123.04414	0.1
124.01595	0.1
125.02362	0.4
126.05460	0.1
127.03942	0.1
131.04919	0.1
133.02831	0.5
135.00801	0.1
135.04443	0.1
137.02356	0.1
138.03104	0.9
139.03836	0.1
141.01855	0.1
145.02850	2.4
145.04004	0.1
145.06483	0.1
146.05949	0.1
147.04388	0.3
149.02342	5.0
151.03908	0.1
152.01144	0.2
153.01833	1.2
153.07043	0.2
155.08559	0.1
157.06519	0.1
163.03909	0.7
165.01839	1.4
165.06978	0.3
166.02614	0.6
167.03410	5.3
170.02138	0.1
171.02882	0.2
171.08020	0.1
173.05948	0.1
174.06744	0.1
177.01834	2.8
181.06470	0.2
182.07253	0.2
183.02858	0.3
183.08057	0.3
184.03764	0.2
185.05980	0.1
187.03957	0.3
188.07115	0.1
191.03380	0.1
195.02904	3.3
197.06027	0.3
199.07579	0.1
200.08325	0.1
202.06277	0.3
210.06761	0.2
211.07471	0.6
213.03751	0.1
213.04167	0.1
213.05553	0.4
215.07047	0.3
221.06006	0.2
225.05382	0.1
227.07011	0.8
228.07825	0.6
229.04965	1.9
232.04803	0.1
232.25641	0.1
238.06178	0.2
239.07025	2.1
241.04932	0.2
241.08762	0.1
242.05736	1.0
243.06537	0.5
247.06052	0.2
249.05597	0.1
253.04973	0.2
255.06540	2.5
255.09207	0.1
256.07315	3.0
257.07901	0.1
266.05728	0.3
267.06537	11.7
268.07220	0.4
269.04434	0.8
270.05234	4.1
271.05856	0.1
283.06021	10.9
284.06796	18.2
285.07498	1.7
295.06018	7.6
296.06339	0.1
298.04694	0.2
313.07050	100.0
314.07419	1.6
315.94748	0.1
316.05777	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03387	1.5
53.03954	2.3
55.01876	4.1
55.05520	34.1
56.96565	3.6
57.03432	3.8
57.07088	15.2
59.05016	2.4
62.89219	1.4
67.05511	43.1
69.03426	4.6
69.07076	88.9
69.83327	2.0
71.04994	5.2
71.08625	5.5
71.55295	2.3
73.02925	1.5
73.06574	2.0
76.96660	1.7
79.05503	18.6
81.03421	2.3
81.07066	100.0
83.04984	4.7
83.08148	2.4
83.08628	41.8
85.02904	3.3
85.06557	18.5
85.10163	3.0
91.05471	10.4
93.07062	30.0
95.04980	3.6
95.08619	85.4
97.02915	2.1
97.06557	8.8
97.10181	20.3
98.97588	5.7
99.08100	13.8
105.07045	9.1
107.05012	2.5
107.08604	24.1
109.06533	4.9
109.10169	53.1
111.08074	8.8
111.11730	18.8
113.09689	2.3
117.07013	3.0
119.02016	1.7
119.08591	5.9
121.06543	3.1
121.10178	12.2
123.11727	23.3
125.09614	3.6
125.13298	4.2
128.06181	2.0
129.07062	2.0
131.08575	2.7
133.10146	4.4
135.11700	14.8
135.63707	1.8
137.05997	5.0
137.13271	10.5
145.10106	2.9
147.11655	5.8
149.09630	3.7
149.13271	15.0
151.14847	10.7
153.12772	11.6
157.10133	4.5
161.13240	2.0
163.14809	6.2
165.16431	3.4
171.11646	2.7
175.11249	2.3
179.17955	2.1
183.11835	1.9
193.34091	1.6
197.13185	2.0
205.19658	1.9
219.01846	1.8
275.20187	4.8
275.27139	2.8
283.05814	2.2
293.21408	3.3
293.25342	2.0
293.28311	9.7
294.21365	1.6
309.08292	1.7
311.05487	5.1
311.09308	3.3
311.12857	6.0
311.19824	3.4
311.26218	3.2
311.29446	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	311.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.6
55.05510	46.4
57.03436	14.3
57.07085	25.3
66.24363	4.5
67.05508	54.1
69.07071	92.8
69.27767	7.1
69.28170	36.1
71.04990	10.5
71.08620	9.3
79.05483	32.4
81.03416	5.0
81.07053	52.9
82.18164	4.2
83.04965	8.2
83.08623	42.8
85.10178	6.8
85.86143	4.1
91.05482	47.3
92.24245	4.3
93.06471	7.9
93.07047	100.0
95.04978	59.8
95.08614	96.9
97.06554	30.6
97.10173	20.8
98.20761	7.6
105.04611	5.2
105.07030	78.7
105.16803	4.2
107.08592	62.5
109.02878	4.8
109.06505	15.0
109.10143	36.3
111.04434	5.1
111.11684	6.0
117.07022	15.6
118.00362	4.8
119.08587	70.9
121.06531	22.0
121.10146	47.2
123.08058	20.6
123.11710	11.8
129.07037	7.4
131.08620	24.8
133.10129	40.7
135.04428	12.6
135.08058	20.6
135.11691	22.0
137.09627	8.5
137.13269	7.1
142.07776	5.5
143.08560	21.1
145.10141	40.2
147.08040	5.8
147.11700	24.8
149.13268	6.9
155.08577	10.4
156.09337	8.9
157.10141	19.1
159.08096	6.8
159.11722	46.1
161.09639	22.6
161.13249	12.6
163.11203	5.7
169.10168	7.2
171.11710	22.0
173.13292	9.6
175.14894	11.9
177.16368	18.4
183.11664	7.2
185.13329	8.0
187.14856	5.0
189.16403	17.7
195.02907	6.5
196.76054	4.3
197.13318	4.5
199.14888	7.1
201.16370	13.2
203.17947	7.8
209.11714	18.9
211.14786	8.7
213.16284	8.0
219.17381	5.3
223.14803	8.0
227.17802	4.9
235.40352	5.4
237.11240	27.7
255.12500	5.9
255.21138	8.1
293.22565	6.0
311.07401	15.1
311.23547	29.3
311.26074	20.1
311.31396	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	311.2219
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.94889	4.3
55.01871	14.8
55.05507	44.0
56.96565	5.4
57.03440	7.6
57.07082	6.2
59.04993	9.3
65.03935	5.2
67.05510	77.4
68.39224	5.0
69.07080	35.3
71.05001	9.3
71.08639	55.2
71.55713	8.0
79.05490	29.0
81.03416	13.9
81.07057	53.6
81.23286	4.8
83.04982	31.6
83.08615	18.9
85.02914	9.2
85.06544	6.5
91.05464	26.0
93.07047	38.6
95.04980	13.2
95.08616	64.9
97.06527	17.9
97.10200	11.5
98.97616	9.8
99.08097	42.4
100.11264	11.1
105.07041	19.3
107.04971	16.1
107.08611	21.9
109.06509	8.7
109.10167	37.6
111.08105	5.6
117.07027	5.8
119.08577	26.0
121.10168	6.6
123.08095	9.2
123.11717	5.7
125.09661	7.7
131.08594	13.2
133.10150	18.6
135.11751	9.1
137.09636	12.1
139.11188	64.9
145.10146	8.3
147.11687	5.6
149.13280	7.2
151.11171	34.0
155.10706	13.3
157.10117	8.7
159.11707	14.1
161.09642	14.1
161.13271	6.5
165.12737	8.9
173.11739	19.9
177.12769	13.1
179.10695	7.8
195.13701	5.7
221.59869	6.0
229.19370	6.7
238.20947	6.0
247.20627	5.2
255.06664	11.3
257.19012	10.0
275.19980	29.1
283.06039	12.4
293.21152	100.0
311.12881	12.5
311.22180	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	311.2219
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
54.36831	3.1
55.01876	4.7
55.05516	17.7
57.07077	31.4
65.03960	3.5
67.05513	20.9
69.07079	14.4
71.08624	13.3
79.05481	10.9
81.03430	4.2
81.07069	25.8
83.04971	10.9
83.08619	11.3
84.66770	3.0
91.05495	7.6
93.07054	12.4
95.04987	6.9
95.08594	14.3
97.06538	3.0
97.10153	7.3
98.21635	7.1
99.08106	7.4
105.07046	7.6
107.04942	4.9
107.08597	11.4
109.02859	4.1
109.06537	7.6
109.10161	8.7
111.04441	16.1
121.06499	7.6
121.10140	9.3
123.08039	3.5
125.06038	6.6
133.06541	17.1
133.10141	6.1
135.08066	4.4
135.11694	6.6
137.02368	6.7
144.48239	3.0
145.10092	5.6
149.02245	6.4
149.09625	4.8
151.07587	3.4
153.05440	17.8
161.06006	40.0
163.11197	6.0
165.12794	3.8
167.03391	4.0
181.12292	6.3
191.07071	5.6
191.10699	9.8
195.06570	3.8
209.11729	97.4
209.13635	5.8
233.80450	3.2
237.11223	77.2
255.12352	11.5
265.17783	3.7
275.20065	4.0
293.17880	5.9
293.21106	100.0
311.07574	3.9
311.12686	13.5
311.25781	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	311.2218
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03946	10.6
55.01883	23.1
55.05513	45.3
56.96573	10.1
57.03432	10.3
57.07059	8.7
61.99325	5.0
62.94131	5.2
65.03932	5.2
67.05173	6.0
67.05510	65.8
69.03422	7.4
69.07071	45.6
70.84442	13.3
71.04990	13.4
71.08640	5.0
79.05494	67.2
81.03413	9.5
81.07065	100.0
83.04980	30.6
83.08626	25.4
85.02910	5.1
85.06541	6.5
90.15662	4.2
91.05487	47.1
93.07044	56.4
95.04971	16.2
95.08610	66.4
97.06548	38.6
97.10188	32.4
98.97567	5.3
105.07053	43.7
107.08595	66.5
109.06489	11.1
109.10160	27.6
111.04455	10.4
111.08089	9.9
113.06008	9.8
116.98615	5.2
117.07025	17.3
119.08569	33.9
121.06498	9.5
121.10145	31.5
123.08082	13.0
123.11691	4.9
125.09659	44.0
129.65721	4.6
131.08566	33.6
133.06461	4.3
133.10167	26.2
133.43375	4.1
135.08107	8.3
135.11700	25.7
137.09622	9.7
139.11140	7.3
141.06995	6.8
143.08534	8.2
145.10130	23.8
147.11723	23.7
149.02249	5.1
149.09631	12.3
149.13274	10.9
151.07521	5.7
153.09152	7.6
153.12752	12.6
157.10130	13.9
159.07971	4.9
159.11705	16.8
161.13297	11.7
163.11186	17.8
167.10707	7.0
173.13261	15.1
177.12773	8.0
181.12209	8.5
183.11659	8.6
189.11241	15.3
191.14240	6.1
193.12401	5.7
215.17979	9.9
223.13197	9.6
226.88722	4.5
229.19331	6.5
231.21069	8.1
237.11156	4.9
239.17914	11.1
249.22186	10.9
251.20122	5.8
257.18997	16.3
265.00018	7.6
272.30377	5.3
275.20038	75.1
293.21085	51.7
301.55835	4.9
311.05524	5.7
311.12787	8.5
311.16177	51.9
311.19992	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	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01871	6.1
55.05516	21.8
56.96584	1.5
57.03421	2.0
57.07082	14.0
65.03950	1.7
67.05509	16.0
69.03426	3.2
69.07080	11.5
71.08627	14.5
71.55539	2.5
79.05499	9.0
81.03421	2.6
81.07064	16.4
81.43510	1.3
83.05000	4.0
83.08619	9.8
89.53638	1.3
91.05502	7.1
93.07046	10.3
95.04974	5.1
95.08624	14.3
97.06513	1.7
97.10167	14.6
99.08088	5.8
105.07046	7.4
107.04970	4.2
107.08582	7.1
109.02827	1.7
109.06515	2.3
109.10177	2.7
111.04444	12.3
111.08057	1.9
117.07006	3.0
119.08626	1.6
121.06535	8.7
121.07262	1.5
121.10140	5.1
123.08064	2.6
123.11688	2.5
125.05980	2.9
125.09624	10.3
131.08560	2.2
133.10170	3.4
135.04384	2.7
135.08044	3.1
135.11653	1.9
137.09564	2.5
143.08571	1.8
145.10138	2.4
147.11699	2.3
149.02373	2.6
149.13278	2.2
151.11198	2.0
153.05501	7.7
156.35007	1.6
159.11693	3.1
161.05968	2.0
161.09636	1.6
163.03932	1.6
163.11174	2.1
167.14314	3.0
177.12770	2.6
189.11172	4.0
191.06894	1.6
191.10678	3.9
195.02826	1.6
196.47684	1.6
197.05348	1.5
209.08159	2.3
209.11739	39.6
209.13673	2.9
237.11237	34.1
237.14847	1.8
240.55176	1.6
251.23805	2.7
255.12296	5.7
275.19940	8.5
293.21109	100.0
310.63141	1.6
311.05505	2.9
311.12756	4.2
311.25552	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	311.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01863	3.9
55.05513	23.0
56.96550	1.8
57.03426	2.7
57.07069	4.2
59.05025	1.7
67.05510	44.5
69.07059	9.6
70.02957	20.2
70.85042	3.1
71.04990	3.4
71.08640	2.2
74.02447	26.8
74.38197	1.6
79.05497	16.3
81.03406	4.3
81.06586	2.5
81.07059	50.4
83.04964	5.5
83.08620	11.9
85.06555	1.9
86.05923	1.5
87.05594	74.7
88.03997	83.4
91.05484	19.5
93.07053	15.8
95.04982	9.4
95.08613	60.1
96.04501	1.8
97.06527	4.4
97.10154	6.0
98.02399	4.8
99.00795	6.4
99.08105	2.6
105.07031	18.5
106.97160	1.4
107.04964	2.8
107.08594	6.1
109.06505	5.5
109.10165	11.1
111.04439	1.9
111.08051	2.4
116.03448	14.5
117.06998	2.4
119.08579	20.5
121.06482	1.9
121.10121	7.1
123.08096	3.7
123.11684	1.8
125.09657	1.7
133.06093	100.0
133.10130	11.9
135.11719	11.4
137.09637	1.7
137.13261	16.7
149.09674	2.2
151.14803	3.4
159.11696	2.1
161.13257	35.5
163.11214	4.0
179.14323	25.5
185.13194	1.8
196.16997	4.8
206.15442	6.3
222.18593	2.6
231.13628	1.9
248.16473	17.7
266.17526	16.0
276.15921	1.9
283.05997	2.6
293.21158	5.4
294.16995	14.5
311.19669	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	311.074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96792	0.6
56.96570	0.6
58.90101	0.6
71.03333	1.3
98.97610	1.1
104.51777	0.6
107.04948	1.2
136.07590	1.1
149.02113	25.8
154.08635	0.9
185.02972	0.8
185.04283	7.3
237.00667	0.7
311.07394	100.0
312.07745	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.4
53.00303	0.1
53.03947	3.4
55.01874	1.2
55.05510	0.5
57.03446	0.3
57.07066	0.3
63.02382	0.5
65.03955	0.4
67.01864	1.2
67.05504	0.4
67.09760	0.2
68.99812	0.2
69.07072	0.5
69.57409	0.1
70.73687	0.2
70.74024	0.2
71.08626	0.2
79.01859	0.2
79.05496	1.5
81.03423	24.2
81.07050	0.4
82.03776	0.2
83.08629	0.4
91.05482	0.8
93.03400	0.3
93.07034	0.2
94.06578	0.2
95.04948	0.3
95.08595	0.3
97.10187	0.3
99.00822	3.3
103.01836	0.1
103.05476	1.0
105.03458	0.2
105.07037	5.8
107.04951	0.2
107.08610	0.3
109.02886	31.5
110.03296	0.1
117.07016	0.2
120.05733	1.5
121.02870	2.1
121.06511	10.4
121.10088	0.2
123.00794	0.4
127.03888	0.2
131.01285	1.2
131.08545	0.1
135.00810	0.6
135.08061	47.9
136.08394	0.3
139.03917	0.3
147.08054	0.6
149.02328	1.7
159.00723	0.1
167.03416	1.1
177.01839	24.9
178.02193	0.3
195.02901	100.0
196.03267	0.6
197.03424	0.2
203.03522	0.6
209.11778	0.4
218.04462	0.8
236.31743	0.1
237.11217	0.2
256.62314	0.1
298.86075	0.1
311.09152	7.1
311.25751	1.0
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
53.75476	3.0
54.18267	3.6
55.01868	6.6
56.96577	9.9
57.07092	5.6
61.02911	4.8
67.05514	19.4
69.03420	12.2
70.06594	15.1
71.05006	21.0
71.05350	4.4
71.54935	5.2
72.08153	6.2
73.02899	4.1
73.42655	3.6
74.40768	3.8
81.71181	4.0
83.04987	3.5
84.04516	5.9
84.08142	13.4
85.02908	49.6
85.06557	8.1
86.09704	4.2
88.98232	3.4
93.07066	5.1
95.04951	21.5
97.02892	15.5
98.97604	9.0
99.08117	4.3
108.05284	5.6
110.07178	7.6
113.06011	67.1
116.98637	3.5
120.08099	6.3
127.03915	9.8
128.34688	3.5
131.07057	100.0
136.06224	6.1
136.07552	7.9
139.03917	88.2
140.04253	88.7
141.04382	66.5
142.04666	43.4
145.04961	14.0
153.04529	5.1
163.03906	11.3
163.06068	3.7
164.04289	11.4
165.04475	5.2
166.04745	5.4
180.06306	4.1
180.08868	5.9
183.05498	4.2
197.07227	3.6
219.03812	4.0
237.11063	3.9
310.08548	4.3
310.17896	5.9
311.07230	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	310.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40295	0.7
51.18535	0.8
53.03946	0.9
55.05523	5.3
57.07068	1.8
67.05512	14.3
68.76014	0.7
69.07072	5.0
69.56760	3.7
69.57175	1.8
74.02446	1.9
78.16444	0.8
79.05498	4.3
81.07070	12.7
83.04984	1.1
83.08607	1.6
86.09716	100.0
86.19672	0.8
91.05474	4.5
93.07057	3.3
95.04963	2.1
95.08617	15.3
97.10159	0.9
105.07039	3.9
107.08595	1.8
109.10165	2.6
119.08594	5.5
121.10164	1.5
130.08685	2.1
130.16151	0.8
132.10217	45.2
133.10173	2.2
135.11758	1.4
137.13313	1.5
140.10687	0.9
161.13287	4.9
170.06825	0.9
179.14314	2.3
226.05745	1.1
254.05409	1.6
264.23291	12.4
292.22525	1.0
310.11493	3.8
310.23822	6.9
310.31030	1.1
311.12659	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2789
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03944	1.7
54.88990	0.7
55.01878	3.4
55.05512	22.5
56.96567	2.0
57.03443	3.6
57.07082	8.9
59.05005	18.4
65.03951	1.3
67.05508	23.2
68.23064	0.6
69.03443	3.1
69.07072	100.0
70.07400	0.9
70.21287	2.8
71.04999	2.8
71.08627	2.8
73.06542	1.5
79.05495	13.4
81.03431	1.5
81.07062	61.8
82.07440	0.7
83.04997	3.6
83.08627	14.1
84.08186	0.8
85.02946	1.0
85.06549	15.5
91.05487	8.1
93.07050	23.8
95.04982	3.5
95.08613	44.3
97.06535	8.2
97.10172	7.2
98.97604	3.6
99.08095	8.5
105.07033	10.3
105.65576	0.7
106.28651	0.6
107.04993	2.1
107.08604	22.4
109.06529	3.2
109.10163	28.3
111.08089	8.6
111.08772	0.9
111.11727	22.6
113.09668	0.9
115.07550	0.8
116.98668	0.9
117.07051	1.4
117.09183	3.2
119.04986	0.8
119.08590	7.2
121.06565	2.1
121.10147	18.3
123.04431	1.6
123.08101	2.9
123.11712	18.6
123.12576	1.1
125.09665	3.1
127.07623	1.1
127.11234	1.2
129.07019	1.4
129.12802	2.8
131.08630	2.6
133.10136	6.4
135.08102	1.5
135.11707	10.3
137.05911	0.8
137.09662	1.1
137.13261	7.9
139.11198	18.0
143.00237	0.9
143.08641	1.9
145.06473	0.9
145.10167	2.0
147.04488	2.5
147.08095	1.1
147.11690	4.7
149.13261	11.8
151.11208	0.9
151.14873	2.4
153.12828	4.1
157.12311	2.0
161.09645	0.8
161.13336	3.0
163.03911	0.7
163.11197	1.3
163.14824	6.4
165.09035	0.8
165.12798	1.6
167.14296	1.5
171.11812	1.3
173.13284	1.1
175.11247	0.7
175.13364	0.9
175.14908	1.5
177.12947	0.8
177.16458	2.9
178.07693	0.7
189.16454	1.9
191.17976	1.5
193.01004	0.9
195.17587	1.2
203.18037	1.1
205.06586	1.1
205.19589	0.7
209.19081	1.1
217.19690	1.2
218.58853	0.8
221.09671	1.5
234.06906	2.9
248.08501	0.9
249.09198	3.6
262.06348	1.0
273.18823	1.1
273.25824	1.9
277.08524	4.4
279.06677	1.0
281.11835	3.0
291.19696	2.4
291.26764	6.0
294.09070	1.5
309.07666	2.1
309.11356	9.8
309.14206	1.0
309.17609	1.2
309.21109	2.4
309.27899	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	309.2789
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
52.47245	1.4
53.03938	2.9
55.01878	2.4
55.05517	31.6
56.96565	3.5
57.03432	3.5
57.07080	20.4
59.05003	2.1
62.17759	1.3
65.03912	1.6
67.05511	41.8
69.07074	52.3
70.93822	4.5
71.05003	4.9
71.08630	11.6
73.06556	1.8
76.81813	1.7
79.05493	23.9
81.03373	1.5
81.07062	100.0
83.05003	8.1
83.08622	29.0
85.06569	5.0
85.10180	5.9
88.09174	1.6
91.05476	14.1
93.07047	35.2
95.04978	12.0
95.08611	91.6
97.06532	6.8
97.10187	17.1
98.97596	3.8
99.08087	4.3
103.12019	1.5
105.07043	18.0
107.08604	27.5
109.06541	4.3
109.10163	43.1
111.08089	10.6
111.11739	12.4
117.07043	2.7
119.08586	15.1
121.06544	1.6
121.10146	17.5
123.08086	7.1
123.11715	31.0
125.09631	4.5
125.13285	3.7
131.08623	2.9
133.10155	9.9
135.11690	14.0
137.09610	8.2
137.13223	9.2
139.11194	2.2
142.99991	1.4
145.10130	2.8
147.11696	14.9
149.13254	15.0
151.11180	3.2
151.14842	4.6
153.12781	2.1
155.10666	3.5
161.13213	7.3
163.14841	6.8
165.12784	5.6
165.16466	2.4
175.14850	5.1
177.16438	3.5
179.18044	2.8
189.16411	4.3
191.17979	2.2
203.18027	3.6
217.19522	3.7
232.59813	1.8
247.24237	2.1
262.71384	1.3
269.05960	1.5
273.25833	13.3
277.08490	1.9
291.26801	14.8
309.27914	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	309.2792
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03949	1.0
55.01873	1.3
55.05515	18.4
56.96573	0.9
57.03444	2.7
57.07073	4.5
57.88915	0.4
59.05000	2.3
64.12274	0.5
65.03950	0.7
67.05509	10.7
68.05845	0.5
69.03432	1.0
69.07074	100.0
69.80068	1.0
69.80459	1.1
70.07426	0.5
71.05000	1.1
71.08633	1.7
73.06554	1.7
79.05500	5.4
81.00996	0.5
81.03429	0.6
81.07063	32.0
83.04998	1.0
83.08620	10.0
85.06553	4.9
85.10194	0.7
91.05497	3.1
93.07054	11.8
95.04972	1.1
95.08614	24.5
97.06544	5.4
97.10174	9.6
98.21544	0.9
98.97617	0.6
99.08095	5.2
105.07038	3.4
107.04974	0.6
107.08614	10.8
109.06554	1.3
109.10166	11.9
111.08102	4.7
111.11725	27.0
113.09666	0.6
117.07076	0.5
119.08601	2.4
121.10155	9.0
123.08067	1.9
123.11723	11.8
125.09619	2.2
125.13325	0.7
127.07578	0.6
127.11185	1.0
129.12753	1.6
131.08664	0.6
133.10126	2.1
135.11705	6.3
137.09639	0.7
137.13268	4.7
139.11191	18.1
143.10686	1.8
147.04396	0.8
147.11729	1.3
147.75418	0.5
149.13283	6.5
151.11241	0.6
151.14838	0.9
153.12740	4.7
157.12250	1.4
159.11681	0.5
161.09621	0.7
161.13307	1.5
163.14848	3.6
165.12788	0.9
165.16431	0.6
167.14345	1.6
173.69890	0.4
177.16425	1.3
177.91670	0.5
180.28278	0.4
189.11179	0.6
191.17950	0.8
203.17886	0.9
203.32082	0.5
206.07111	0.5
217.19626	0.6
220.76016	0.4
221.19095	0.7
223.86906	0.5
234.06760	1.2
249.09177	1.0
251.07054	0.6
258.81107	0.4
262.06192	0.5
273.18466	1.0
273.26001	0.7
277.08563	1.6
291.19742	1.1
291.23563	1.1
291.26758	5.2
309.07700	0.7
309.11182	1.5
309.16763	0.5
309.20782	0.8
309.24545	1.1
309.27863	18.5
309.69901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03957	5.5
55.01863	3.4
55.05515	19.2
57.03434	8.0
57.07079	4.4
62.85909	1.9
65.03922	3.2
67.05177	3.3
67.05512	45.2
69.03438	2.5
69.07069	21.3
71.04971	2.2
71.08639	52.7
77.27612	1.9
79.05063	3.3
79.05499	45.2
81.03427	8.6
81.07061	57.4
83.04998	14.2
83.08627	8.9
89.04027	2.4
91.05492	26.3
93.07053	68.8
94.42002	2.1
95.04968	15.0
95.08617	42.0
97.06561	13.2
97.10194	6.0
98.20696	3.8
99.08104	51.1
105.07029	16.4
107.04961	2.9
107.08604	30.1
109.06504	3.7
109.10164	18.8
111.08070	4.5
113.09672	3.1
117.07035	3.9
119.08590	19.8
121.10150	35.5
123.04401	3.2
123.08121	3.2
123.11690	2.2
124.17970	2.3
127.11189	3.0
131.08580	6.5
133.10165	13.3
135.08017	2.2
135.11693	41.5
137.09692	5.5
141.09135	3.5
145.10168	7.5
147.11723	8.4
149.09575	2.6
149.13264	12.8
151.11186	19.0
153.12860	3.9
157.10208	3.2
159.11717	4.4
161.13260	10.9
163.11172	8.6
163.14853	4.3
165.12718	3.8
167.10693	4.8
171.11684	3.7
173.13304	3.6
175.14937	2.3
177.12816	6.7
179.12735	5.4
179.14314	100.0
187.14799	2.7
189.12769	4.5
204.15111	2.2
221.15358	4.1
235.16948	5.4
259.20654	9.6
277.21643	49.2
309.24283	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	309.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11489	2.2
53.03934	5.1
55.01869	3.4
55.05520	18.9
56.96560	8.1
57.03157	2.8
57.03431	5.5
57.07073	2.7
65.03938	4.8
65.65268	2.7
67.05518	27.1
69.03424	4.2
69.07078	20.5
71.04980	4.1
71.55814	4.1
79.05497	30.4
81.07063	37.7
82.93916	2.7
83.04984	5.1
83.08625	7.9
91.04978	3.6
91.05494	45.4
93.07055	70.0
94.17096	3.4
94.80199	2.9
95.04980	46.0
95.08620	39.7
97.06541	16.3
103.05470	5.5
105.04508	3.6
105.07043	75.4
107.04967	7.3
107.08607	38.3
109.06516	10.9
109.10194	21.8
112.19195	2.4
115.05463	7.1
116.06245	3.1
116.14398	2.5
117.07027	17.5
119.04946	10.4
119.08601	54.9
121.06537	8.6
121.10157	100.0
123.08070	12.1
123.11709	4.1
128.06253	7.6
129.07011	12.8
130.07800	8.6
131.08574	32.8
133.06511	11.9
133.10146	38.0
135.08072	5.2
135.11688	11.2
141.07002	9.1
142.07777	13.9
143.08592	23.6
144.09329	8.0
145.06429	3.8
145.10146	40.7
147.04448	17.2
147.08060	6.3
147.11760	12.7
148.50902	3.1
149.02310	15.7
153.06966	3.3
154.07814	5.0
155.08556	13.6
156.09383	6.9
157.10147	31.1
159.08070	4.0
159.11716	30.4
161.05956	9.6
161.09636	10.0
161.13286	5.8
163.11208	2.9
167.03424	10.3
169.10139	13.4
170.10913	4.2
171.11710	17.7
173.09587	4.9
173.13295	8.9
174.85405	2.7
175.14836	10.5
179.08583	5.6
181.10143	8.0
182.10966	8.6
183.11700	13.2
185.13255	8.0
187.11192	7.9
187.14865	15.8
189.05498	71.5
189.12750	5.2
193.10106	4.2
195.11749	5.9
197.13235	10.7
199.14861	9.3
201.12720	4.9
201.16461	2.8
205.10144	3.9
206.11060	2.7
207.06520	6.8
207.11710	5.5
208.96423	3.2
209.13171	6.0
211.14871	10.2
213.16344	4.3
215.14383	6.3
221.13196	4.5
223.14827	3.7
225.16481	5.9
227.07118	4.8
233.13222	2.7
235.14748	5.5
239.14294	5.2
239.18030	4.6
249.16289	3.2
253.15785	5.5
263.02744	3.6
265.09253	3.9
265.19751	2.9
281.22690	4.6
288.05475	3.2
291.21054	10.2
309.07584	5.5
309.11240	54.9
309.14697	6.0
309.22141	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2212
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03933	4.4
55.01847	2.5
55.05517	18.2
57.03429	6.1
57.07076	3.6
60.38671	3.0
65.03947	3.2
67.05507	31.5
69.03451	3.3
69.07074	20.7
79.05500	37.9
81.03414	5.4
81.07061	39.3
83.04958	3.5
83.08629	6.7
87.04130	2.5
91.05488	44.4
93.06476	4.7
93.07052	71.6
95.04967	49.8
95.08608	45.9
97.06524	19.4
100.72388	2.6
103.05457	5.2
105.07040	77.4
107.08600	31.5
107.72050	2.7
109.06538	8.6
109.10159	21.4
115.05458	7.4
117.07001	18.0
119.07805	4.8
119.08595	65.5
121.06480	10.7
121.10152	100.0
123.08067	9.8
123.11708	7.7
128.06230	11.5
129.06987	14.1
130.07744	4.2
131.08565	37.8
133.10143	43.2
135.08029	5.0
135.11700	9.0
141.06944	6.0
142.07794	13.0
143.08578	30.5
144.09323	8.8
145.10129	47.6
147.08054	7.4
147.11700	13.6
155.08540	11.6
156.09346	9.9
157.10139	36.2
158.10921	3.9
159.11696	34.7
161.09650	7.1
161.13240	7.9
167.08537	4.7
168.09314	3.6
169.10143	21.1
170.10965	4.8
170.94550	2.7
171.11705	19.5
173.09689	5.5
173.13295	20.1
175.14821	6.6
179.08539	6.1
181.10115	9.6
182.10936	6.2
183.11723	18.7
185.13234	14.9
187.11192	8.3
187.14821	22.4
189.12802	4.6
189.16310	3.5
193.10147	3.6
194.10910	4.9
195.11685	12.7
197.13260	17.2
199.14862	6.7
205.10197	3.5
206.10835	3.8
207.11685	4.8
208.12311	3.3
209.13246	10.5
210.14336	3.3
211.14845	10.9
221.13275	4.3
223.14888	4.4
224.90053	3.3
225.12758	3.1
225.16383	5.9
235.14763	6.6
237.16409	4.3
239.14297	5.5
239.18010	4.5
249.16539	3.9
253.15901	5.2
265.19501	6.6
267.17392	4.4
281.22629	8.2
291.21078	11.9
309.22107	85.9
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	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03939	3.9
54.28795	1.3
55.01877	34.7
55.05277	1.2
55.05515	19.6
56.96556	2.9
57.03437	4.4
57.07064	3.5
59.05001	1.5
67.05509	36.9
67.68393	1.1
69.03429	3.0
69.07079	14.2
71.04977	4.2
71.55508	1.5
79.05496	19.1
81.03419	13.7
81.07065	21.0
82.11390	1.2
83.04987	30.2
83.08602	6.9
84.00001	1.2
85.06543	2.1
91.05476	15.7
93.07062	20.8
95.04976	19.8
95.08620	17.5
97.06538	22.5
97.10172	5.5
99.04469	23.3
99.08080	2.1
103.05474	1.2
105.07041	12.9
107.04963	10.5
107.08605	12.3
109.06493	6.6
109.10174	16.4
111.04452	100.0
111.08099	3.2
117.07030	3.3
119.08585	9.9
121.06516	3.2
121.10133	9.0
123.04441	1.9
123.08105	7.6
123.11734	2.7
125.09607	6.0
129.07004	2.2
131.08575	4.0
132.05701	1.5
133.06552	1.8
133.10158	8.3
135.08061	4.8
135.11705	3.1
137.06027	1.4
137.09634	11.4
139.11180	1.6
143.08519	3.6
145.10123	5.1
147.04317	2.2
147.08040	1.5
147.11693	4.9
149.09650	6.8
149.13268	2.3
151.11229	1.6
153.09116	17.2
155.08638	1.2
157.10101	2.5
159.11717	4.0
161.09605	8.0
161.13281	2.4
163.11209	3.8
171.11684	2.4
173.11736	5.7
173.13168	1.7
175.11203	4.2
179.10727	2.3
181.12260	2.6
189.05475	3.5
189.11218	2.2
189.12758	3.1
190.95268	1.5
193.12308	4.0
217.15808	1.6
221.15456	2.1
227.17966	2.0
235.13286	2.1
245.19037	1.7
247.91255	1.4
249.14847	2.9
254.94618	1.5
255.17363	2.6
257.04407	5.8
258.04926	6.5
263.20102	7.3
267.15887	4.4
273.18533	14.3
273.25702	1.5
278.04272	2.7
285.55283	2.7
287.04684	7.3
291.16278	1.3
291.19525	32.5
291.26657	1.6
294.55969	5.4
295.05884	2.7
297.06259	1.5
309.07513	2.1
309.11047	3.4
309.17209	1.6
309.20575	22.2
309.27899	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2064
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03953	8.0
55.01875	17.4
55.05518	55.0
56.96564	12.4
57.03432	22.8
57.07078	7.4
60.89583	3.4
65.03937	5.8
65.15477	3.5
67.05511	72.0
69.03427	12.8
69.06796	2.9
69.07080	38.4
71.04991	10.0
71.55534	2.9
79.05501	71.0
81.03432	21.8
81.07065	100.0
82.03204	3.5
82.08521	3.4
83.04978	20.3
83.08631	24.1
85.02963	3.7
85.06544	7.6
91.05485	39.3
93.07056	63.7
94.95466	3.2
95.04952	20.7
95.05482	3.1
95.08052	5.4
95.08612	63.4
97.06522	15.8
97.10173	34.3
98.97597	5.6
99.08095	8.0
105.07047	31.9
107.04952	12.9
107.08614	43.7
108.22001	3.5
109.06547	29.7
109.10171	40.0
111.04443	14.1
111.08099	14.3
117.07050	17.9
119.08586	29.5
121.06513	10.3
121.10149	28.5
123.08073	28.6
123.11700	4.3
125.09658	28.1
128.06244	4.1
128.98645	3.5
129.07031	7.2
131.08580	18.2
133.06502	5.5
133.10123	22.1
135.08054	13.7
135.11710	13.4
137.09598	15.1
139.11153	4.6
143.08559	7.4
145.10146	16.6
147.08070	7.8
147.11655	8.1
149.09625	10.4
149.13315	6.3
151.11217	6.9
153.09108	5.3
157.10066	7.6
159.11787	5.7
161.09631	6.4
161.13289	4.8
163.11203	13.4
165.09126	9.3
169.18735	3.4
171.10146	3.6
171.11703	5.7
172.94359	4.0
173.09583	4.3
175.11160	7.7
181.12238	8.3
189.11221	13.9
193.12294	9.3
199.14819	3.6
211.13220	4.4
212.93581	5.7
217.15852	8.2
219.13922	5.7
223.13345	4.5
227.12791	4.9
235.16956	4.0
245.19110	4.2
249.15059	3.8
254.94586	5.7
263.20029	5.2
266.01437	3.2
273.18442	27.7
280.94736	4.4
291.16513	6.1
291.19553	65.0
309.16977	20.3
309.20682	21.7
309.28036	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	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03951	6.1
55.01876	16.9
55.05513	34.0
56.96567	7.2
57.03438	6.0
57.07088	5.3
63.96368	2.2
64.05161	2.3
67.05508	81.0
69.03426	6.3
69.07077	26.8
69.64041	16.7
71.04996	10.0
75.61942	2.4
79.05075	3.1
79.05505	53.7
81.03420	10.1
81.07066	97.1
83.01331	5.5
83.05003	20.8
83.08637	9.2
85.06570	7.4
91.05486	59.9
93.07044	55.1
95.04982	15.4
95.08614	35.3
97.06554	8.3
97.10199	4.8
98.20779	2.9
99.04463	6.2
105.07039	55.4
107.04966	11.8
107.08595	59.1
109.06538	17.8
109.10162	86.1
111.04465	6.2
111.08086	6.2
113.05996	3.5
117.06311	2.7
117.07036	9.0
119.04948	4.1
119.08567	19.2
121.06526	9.4
121.10158	10.5
123.04508	3.4
123.08082	12.7
123.11751	12.3
125.09613	7.0
127.07572	5.1
129.07014	7.9
130.57465	2.5
131.08591	10.7
133.06499	10.4
133.10138	100.0
135.08070	7.4
135.11703	8.0
137.02483	3.3
137.09660	6.2
138.99461	3.3
143.08536	5.5
145.10144	11.1
147.04384	2.7
147.08095	11.1
147.11688	7.4
149.02373	4.4
149.09662	5.3
149.13263	3.1
151.11200	58.1
153.09140	2.4
155.08484	2.5
157.10173	5.8
159.11739	5.7
161.09647	11.0
161.13261	4.6
163.11234	4.0
165.09212	4.6
169.12288	12.2
171.08138	2.9
171.11717	6.1
175.11209	6.1
179.10703	4.5
181.08542	3.2
185.13123	3.2
189.05510	9.4
189.12752	2.9
193.12204	2.7
199.11263	5.1
203.14333	2.8
207.13843	2.4
215.12823	4.2
217.12123	3.3
227.17880	6.2
245.19011	14.4
254.94757	3.6
255.17522	6.2
263.20135	9.0
265.08600	2.9
269.60922	2.6
272.95779	4.0
273.18546	31.9
280.29492	2.7
291.10394	2.9
291.19537	54.2
309.07678	5.3
309.10974	25.0
309.17368	2.9
309.20526	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	309.2063
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03942	2.3
53.06938	1.7
55.01867	6.0
55.05516	30.1
56.69990	1.4
56.96558	1.4
57.03438	2.6
57.07084	2.2
59.04999	1.6
64.62711	1.4
65.03939	2.7
67.05512	19.2
69.03428	3.0
69.07068	14.2
70.01908	1.7
70.83901	2.0
70.84223	3.3
71.04999	1.9
79.05501	18.0
81.03419	2.6
81.07065	23.8
82.91147	1.5
83.04987	5.1
83.08622	15.8
91.05491	17.1
93.07063	14.1
95.04998	8.8
95.08641	10.1
97.06536	2.1
97.10179	24.7
105.07047	14.1
107.04982	5.0
107.08607	13.0
109.06502	2.0
109.10159	5.5
111.08080	2.7
117.07033	5.8
119.04954	10.6
119.08596	13.3
121.06536	4.1
121.10145	6.9
123.04403	2.9
123.08051	10.2
125.09657	15.4
129.07016	2.1
131.08594	6.2
133.06473	5.3
133.10164	2.8
135.08101	3.3
135.11723	2.2
137.09644	2.8
143.08659	2.5
145.10139	4.9
147.04437	15.7
147.08067	6.9
147.11694	3.6
149.02327	11.9
149.09645	3.3
156.09348	2.4
156.97559	1.7
157.10176	2.0
161.05896	1.9
161.13319	2.2
163.11197	1.8
165.09174	2.6
167.03419	10.1
170.92499	2.6
171.10294	2.9
171.11737	5.2
175.11218	3.3
181.12238	1.9
189.05492	57.9
189.11226	11.5
189.12802	8.2
199.11215	2.3
207.06619	2.4
212.93703	2.5
217.12213	10.5
221.11792	1.8
223.13400	2.7
249.14890	4.9
254.94716	3.0
255.17450	1.8
272.95950	2.3
273.18500	14.9
277.14331	3.9
291.19559	100.0
294.08826	2.3
309.11240	48.5
309.20834	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03940	4.0
55.01866	6.8
55.05520	8.5
56.96563	3.0
57.03441	35.5
57.07067	1.8
65.03931	2.4
67.05508	37.1
69.03429	2.3
69.07066	6.7
70.20067	4.1
70.20452	3.1
71.04995	4.1
79.05495	19.1
81.03407	2.6
81.07051	19.3
83.04980	5.0
83.08611	3.2
85.06545	33.1
91.05485	19.1
93.07046	18.7
95.04974	48.1
95.08617	11.5
97.06516	3.1
105.07015	14.5
107.04954	6.9
107.08591	12.1
109.06519	36.5
109.10164	5.4
113.06014	100.0
117.06999	9.8
119.04930	3.3
119.08587	7.3
121.06501	1.8
121.10155	5.6
123.04407	3.0
123.08063	4.3
129.07013	3.6
131.08575	9.8
133.10136	6.9
135.08061	34.5
135.11679	5.6
141.06874	1.4
143.08539	3.2
145.10127	6.2
147.04436	4.4
147.08058	4.2
147.11661	4.2
149.09636	5.6
157.10123	5.3
159.11745	4.4
161.09639	5.7
161.13255	2.1
163.11176	3.9
171.11684	3.2
172.94388	1.7
173.13275	2.9
175.11234	3.2
185.13347	2.1
189.05479	12.2
199.14883	2.3
212.93784	2.5
217.15933	11.3
230.94550	2.3
254.94641	5.3
255.17503	2.8
263.20114	4.0
272.95566	2.9
273.18509	17.1
291.19583	51.2
309.11136	7.8
309.17291	2.1
309.20874	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	309.2062
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.65474	7.3
53.03952	11.2
55.01867	18.6
55.05516	56.9
56.96571	24.1
57.03446	37.3
57.07054	11.7
58.44367	7.6
59.04998	9.5
60.58845	7.4
67.05511	55.5
69.07066	48.4
71.04995	9.3
71.08614	10.5
71.55592	15.6
79.05497	54.7
81.03426	27.2
81.07063	100.0
83.04993	13.6
83.08633	45.1
85.06543	12.1
91.05477	41.2
93.07047	57.7
95.04967	30.1
95.08606	52.8
97.06523	11.2
97.10180	27.6
98.69878	7.2
99.08117	13.7
105.07050	37.8
107.04968	29.1
107.08598	38.7
109.06532	36.6
109.10165	31.4
111.04420	9.8
111.08106	9.9
116.98595	8.9
117.07040	25.6
119.08607	52.5
121.06514	18.6
121.10146	25.5
122.18749	7.8
123.08048	14.9
123.11749	21.9
125.09640	22.8
129.07019	14.6
130.93230	8.1
131.08565	28.0
133.10129	17.0
135.11703	11.8
137.09660	14.0
145.10159	22.8
147.04443	13.5
147.08052	27.2
147.11687	19.1
149.13275	12.2
149.14410	9.4
157.10178	12.9
163.11310	9.2
171.11795	9.4
182.15416	21.2
189.05537	11.8
189.11330	13.5
190.95445	19.0
193.12315	11.6
210.14941	32.3
219.13745	12.9
230.94717	13.4
249.14748	10.1
254.94763	17.1
262.93832	9.2
267.06335	8.6
267.09180	13.8
268.09427	16.2
272.95593	15.3
273.18503	47.8
285.10211	17.1
286.10406	18.2
291.19525	71.3
299.18893	8.1
309.10730	27.7
309.16895	19.1
309.20303	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	309.1122
Annotation	Bisdemethoxycurcumin
Peak:m/z	Relative Intensity
50.90714	0.1
51.02381	0.2
53.00308	0.2
53.03946	0.2
55.01880	0.7
55.05499	0.2
56.96575	0.1
65.03936	1.5
67.05488	0.4
69.07073	0.2
69.81662	0.6
71.82719	0.1
77.03973	0.2
79.05495	1.5
81.07068	0.2
91.05489	8.0
93.03395	1.0
93.07078	0.2
95.01331	0.3
95.04987	1.4
96.40140	0.1
103.05485	0.9
105.03396	0.4
105.07042	5.6
107.04959	1.5
112.79346	0.1
115.05457	1.4
117.07030	0.4
119.04955	15.4
119.08611	1.5
119.53602	0.1
121.02866	1.3
121.06541	0.2
123.00784	0.2
123.04445	1.1
128.06206	0.2
129.07002	0.2
131.01276	1.5
131.04933	0.4
132.05753	0.4
133.02884	0.7
133.06511	4.6
137.06007	1.7
138.06340	1.1
141.07071	0.3
143.04915	0.3
144.05734	0.2
145.06488	0.5
146.03658	0.2
147.04422	32.9
147.08061	5.4
148.04836	0.2
149.02351	35.1
151.03900	0.5
155.06131	0.3
159.04373	0.2
161.02386	0.3
161.06000	2.4
163.03929	1.0
167.03415	22.9
168.03784	0.2
169.06464	0.2
171.04445	0.6
173.09616	0.2
174.03069	0.2
175.03951	0.5
177.05476	0.2
178.68445	0.1
179.07033	0.3
181.05144	0.1
187.03899	0.9
187.07532	0.8
189.05481	100.0
190.05760	0.7
197.06055	0.4
202.07762	0.2
205.04997	0.2
207.06511	0.9
215.07100	0.8
220.08971	0.1
221.09682	0.3
223.07516	0.3
233.06076	0.1
239.07117	0.2
249.09245	0.2
251.07040	0.4
254.05809	0.1
263.10706	0.6
267.06723	0.2
267.10266	0.5
269.08112	1.1
291.10184	1.6
294.05600	0.2
294.08890	4.1
309.11227	84.9
310.11588	1.1
327.07166	0.5
327.11981	0.2
328.07269	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	308.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58274	0.7
56.96571	61.8
68.81091	0.7
71.44553	0.9
71.95272	9.1
72.96056	4.4
74.58947	0.8
84.96038	3.0
89.33740	0.7
97.96851	0.8
98.97608	0.9
105.00141	1.6
110.97601	3.0
115.00747	1.5
119.01746	1.2
128.98602	2.2
137.02742	5.1
138.33014	0.8
139.00676	2.7
140.51242	0.9
141.02235	3.5
149.14372	0.7
151.00676	1.2
152.89320	0.8
153.02260	2.6
155.03777	1.2
157.01729	1.8
159.03319	2.9
159.90460	0.7
167.03830	0.9
171.03300	3.8
173.04930	1.1
179.03993	0.9
181.01680	1.3
181.05148	0.9
185.04854	3.7
189.04367	2.2
199.02786	2.6
199.06470	1.5
203.02318	1.2
203.05899	1.8
211.06473	2.7
215.22173	0.8
217.03915	1.9
217.07516	1.7
223.10016	9.9
223.11938	0.8
231.06879	1.0
237.08046	1.8
241.11130	90.4
249.08086	1.9
255.09027	1.3
259.12207	82.2
264.12726	3.9
267.09027	17.6
282.13803	2.4
285.10120	100.0
303.11169	46.5
307.26581	1.0
308.11713	7.0
308.26923	3.2
326.12744	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1859
Annotation	6-Hydroxydendroxine
Peak:m/z	Relative Intensity
50.37758	1.4
52.04316	1.4
53.03933	1.7
55.05508	6.3
56.05849	1.6
56.96569	4.3
57.03433	9.1
67.05495	2.6
69.03426	1.9
69.07063	3.2
70.97081	4.4
71.04989	6.6
79.05505	3.7
80.05024	1.6
81.07049	4.7
84.75899	1.8
91.05477	5.6
93.07069	3.6
94.06557	6.7
95.08617	3.1
99.04449	2.2
105.07069	2.0
106.06559	1.7
107.08604	2.7
116.98643	2.8
117.07014	1.8
118.06561	2.7
119.08555	4.7
120.08118	8.6
121.10194	1.7
122.09686	2.4
122.16031	1.5
129.07254	3.2
131.07268	2.2
132.08083	10.2
133.10355	1.8
134.09657	18.1
136.11247	3.5
137.02397	2.6
139.03900	3.0
140.04289	2.2
144.08096	3.9
145.08846	3.1
146.09619	6.5
148.11176	7.4
150.09131	6.2
158.09651	4.1
158.64194	1.9
160.11226	7.2
162.09120	3.2
165.78569	1.7
167.43945	1.6
172.11206	4.2
174.12836	10.8
176.10764	7.6
176.99359	1.5
178.08656	3.5
180.10147	2.2
188.10718	4.0
190.12288	2.9
192.10213	6.3
192.13863	4.5
196.09778	3.0
202.12276	2.0
206.11850	2.3
210.11449	2.0
218.11813	4.7
220.13354	6.0
230.11868	2.4
230.15373	7.2
234.14940	10.6
236.12848	8.6
238.14513	3.7
244.17009	2.6
248.12813	11.2
252.15950	4.8
254.94810	2.1
266.13943	7.4
267.06677	2.8
267.09222	2.8
272.16452	6.2
272.96008	1.8
285.10382	3.4
290.17532	37.5
308.18585	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.2
53.00303	0.3
53.03923	0.3
55.01867	0.7
55.05502	0.7
56.96572	0.8
65.03932	1.6
67.05489	0.7
69.07062	0.3
70.04082	0.4
70.52803	0.1
70.78498	0.3
70.78829	0.2
77.03932	0.2
79.05500	2.0
81.03400	0.3
81.07051	0.6
83.08611	0.3
91.05486	8.3
93.03405	1.0
93.07043	0.5
95.01322	0.4
95.04985	1.4
95.08610	0.6
97.10170	0.4
103.01814	0.1
103.05484	0.9
105.03414	0.4
105.07031	6.2
107.04961	1.7
107.08636	0.3
109.06525	0.2
109.10146	0.4
115.05447	1.8
117.07022	0.6
119.04945	15.0
119.08562	1.8
121.02871	1.5
121.06424	0.3
123.00778	0.2
123.04408	1.0
123.08083	0.2
123.11707	0.2
125.09650	0.2
129.06999	0.2
131.01283	1.6
131.04926	0.5
131.08578	0.2
132.05716	0.6
133.02861	0.5
133.06497	5.7
133.10069	0.2
137.02397	0.3
143.04929	0.5
144.05713	0.2
145.06467	0.5
146.03653	0.2
147.04411	31.9
147.08038	5.5
149.02341	31.3
150.02681	0.2
151.03886	1.1
161.02299	0.2
161.05981	3.3
163.03917	0.7
163.07610	0.2
165.01842	0.3
165.07002	0.2
167.03404	27.5
169.06526	0.3
171.04428	0.7
172.94293	0.2
173.09555	0.2
174.03130	0.4
175.03880	0.5
177.06895	0.2
179.07025	0.2
187.03914	0.7
187.07562	0.6
189.05464	100.0
190.05786	0.7
190.95401	0.3
195.08075	0.3
197.05930	0.4
202.07721	0.2
207.06514	3.2
207.08371	0.2
215.07031	0.7
221.01225	0.2
221.09595	0.4
223.02751	0.3
223.07593	0.5
237.03012	0.2
241.03824	0.3
251.07010	0.5
254.94690	0.2
263.03146	0.2
263.10712	0.6
267.10269	0.3
269.08066	1.0
273.18362	0.2
281.11771	0.2
288.05524	0.8
288.55502	0.2
291.10141	1.6
291.19455	1.2
294.08893	3.5
297.05878	0.2
297.55991	0.2
308.56680	0.3
309.11197	88.8
310.11557	0.9
327.05380	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2634
Annotation	Decaryiol
Peak:m/z	Relative Intensity
50.59003	0.5
53.00288	0.6
53.03950	1.4
53.84855	0.6
55.05270	0.8
55.05517	14.9
57.03432	2.8
57.07087	4.5
59.04982	1.1
59.90513	0.5
60.15201	0.5
67.05513	19.7
69.03419	1.2
69.07076	46.9
69.28133	5.1
71.04990	1.8
71.08624	0.8
73.06552	0.7
79.05495	6.2
81.07064	26.2
83.04986	2.2
83.08633	9.0
85.06549	3.7
91.05491	3.6
93.07053	11.4
93.55344	0.6
95.04979	3.5
95.08616	17.8
97.06537	3.0
97.10158	2.0
98.20734	1.1
99.08106	2.7
105.07046	7.6
105.64613	0.5
107.08602	12.0
109.06520	2.6
109.10165	42.6
111.08063	2.5
111.11733	7.6
117.07036	0.6
119.08592	8.9
121.06518	1.4
121.10151	10.4
123.08057	2.9
123.11726	8.2
125.09621	1.1
127.11213	2.3
131.08549	1.7
133.10139	5.6
135.08069	1.8
135.11690	5.0
136.08824	0.8
137.09627	5.2
137.13245	2.9
139.03909	1.7
139.11188	5.7
141.12794	0.7
145.10132	2.2
147.11691	3.4
149.09633	0.8
149.13298	3.5
151.11194	1.7
151.14844	1.4
153.12732	0.6
155.10596	3.6
159.11722	3.3
161.13268	8.0
163.11192	3.4
163.14836	3.0
165.12779	2.6
173.13289	1.5
175.14816	2.2
177.12723	4.1
177.16389	1.5
178.13533	2.5
179.14323	22.5
189.16435	0.9
191.14342	1.1
191.17860	0.8
193.15790	0.8
195.13887	0.7
201.16411	1.0
203.74612	0.6
205.15913	1.0
215.17940	0.7
233.19130	1.1
245.22969	2.2
249.76103	0.6
251.20125	0.7
271.24228	1.3
289.25391	6.6
307.26355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2634
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03934	3.4
55.01874	2.4
55.05517	33.6
55.05780	1.8
56.96552	4.1
57.03419	5.6
57.07088	12.8
59.04992	3.9
63.12944	1.3
65.03941	2.4
67.05184	2.5
67.05511	38.6
69.03424	4.3
69.07075	58.3
69.39687	6.5
69.40118	4.5
70.06577	1.3
71.05001	15.3
71.08614	4.0
72.93782	1.7
79.05081	1.4
79.05505	24.0
81.03441	1.9
81.07063	100.0
82.54540	1.3
83.04998	12.2
83.08626	24.5
85.06554	7.3
91.05476	17.1
92.05933	1.5
93.06482	2.6
93.07056	49.0
95.04980	20.9
95.08617	89.9
97.06539	12.1
97.10165	13.7
98.97577	6.5
99.04408	1.7
99.08085	6.0
105.07039	24.4
107.04941	1.6
107.08609	41.3
109.06541	9.0
109.10170	59.3
109.10921	3.6
111.04447	1.7
111.08069	12.5
111.11740	8.9
113.09640	1.5
116.98631	1.9
117.06997	3.9
119.08599	20.3
121.06549	7.0
121.10163	35.8
123.08087	5.4
123.11720	30.9
125.09627	6.6
125.13337	1.6
127.11203	5.8
129.07088	1.4
131.08551	6.3
132.95833	6.7
133.10147	13.9
135.08070	2.6
135.11717	26.7
137.09633	6.2
137.13272	16.8
139.03915	33.9
139.11160	7.6
141.12790	1.5
145.10168	12.3
147.11693	13.0
149.09599	5.4
149.13266	27.8
150.26427	1.4
150.96864	1.8
151.03873	1.6
151.11140	4.4
151.14812	6.2
153.12746	5.7
158.97290	1.5
159.11716	9.9
161.09459	1.4
161.13234	9.4
163.03893	3.4
163.11163	4.2
163.14838	9.2
165.12733	4.7
167.14250	2.0
173.09622	1.5
173.13194	3.7
174.96892	2.3
175.11133	1.7
175.14838	5.0
177.16371	7.4
179.14304	4.4
179.17935	1.7
181.04868	2.3
187.11180	2.8
187.14850	5.1
189.16393	4.7
191.08594	1.5
191.14369	1.8
191.17863	3.5
195.06596	1.6
201.16412	2.4
201.20403	1.7
203.17918	4.5
215.17941	4.2
216.97922	3.0
217.19504	3.1
219.17320	2.0
236.08405	1.7
245.23044	3.2
249.05481	3.0
263.23782	2.3
264.07825	5.1
265.25327	5.3
271.24243	7.0
275.07278	1.5
289.14603	2.4
289.17984	3.5
289.25259	19.5
292.07275	8.0
293.21164	1.7
307.06387	2.3
307.09680	12.2
307.15240	3.7
307.18997	4.5
307.26355	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	307.2631
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03933	2.9
55.01863	3.4
55.05515	34.6
56.96576	8.6
57.03428	2.8
57.07082	12.2
59.04991	4.4
67.05509	33.4
69.03425	4.5
69.07073	96.0
69.40593	10.9
70.06587	3.6
71.05006	11.2
71.08624	3.7
72.50288	1.3
73.06554	1.5
73.45584	1.1
79.05058	2.1
79.05499	22.8
79.79010	1.1
80.38685	1.1
81.03403	1.7
81.07063	100.0
83.04993	11.0
83.08627	20.8
85.06551	8.3
91.05483	16.5
91.14821	1.3
93.07053	50.3
95.04981	18.1
95.08613	71.4
97.06544	11.3
97.07111	2.1
97.10176	9.9
98.20771	2.4
99.08100	4.9
105.07037	21.1
107.08595	38.2
109.06520	10.3
109.10168	48.7
111.08093	9.6
111.11723	17.1
117.07027	1.8
119.08594	18.1
121.06483	3.0
121.10151	30.5
123.08057	5.6
123.11711	28.0
125.09660	3.3
127.11182	2.5
129.12735	2.9
131.08575	4.9
133.10130	12.2
135.08075	3.8
135.11697	28.0
137.09608	4.9
137.13275	11.2
139.03917	11.8
139.11194	10.6
145.10172	8.4
147.11694	9.8
149.09621	2.7
149.13271	16.5
151.11221	4.0
151.14796	4.6
153.12782	2.9
157.10201	2.1
159.11678	11.7
161.13280	8.3
163.11163	6.4
163.14780	6.9
165.12790	4.7
167.10629	1.8
167.14235	2.2
173.13239	3.4
175.14839	4.7
177.12823	2.5
177.16379	3.6
179.14339	6.7
181.12300	2.4
187.14801	2.9
189.16414	3.4
191.14310	1.6
191.17949	3.1
193.15846	1.6
201.16380	3.6
203.18031	2.0
207.17339	1.4
209.19000	1.9
215.18018	2.7
223.09959	1.6
233.19063	1.5
241.11160	15.0
245.23044	5.3
259.12198	14.3
267.09055	2.5
271.24161	6.6
285.10135	17.3
289.25296	16.4
303.11133	7.8
307.09659	4.1
307.15109	2.1
307.26410	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03945	4.2
55.01861	2.7
55.05292	2.0
55.05515	18.2
56.96558	5.4
57.03442	2.7
57.07077	2.9
59.05004	3.4
65.03942	3.5
67.05508	23.5
69.03432	1.9
69.07073	15.6
71.04992	12.3
71.15585	2.8
73.06560	1.7
77.03954	1.7
79.00118	1.5
79.05497	29.1
79.05956	2.2
81.03419	3.1
81.07059	31.6
83.04975	3.5
83.08629	8.3
85.02916	1.8
85.06553	3.3
86.09735	2.5
87.04465	3.3
91.05482	39.5
91.06017	3.5
93.07050	33.7
95.04971	7.4
95.08601	24.5
97.06573	9.9
97.10158	4.0
98.97604	2.9
103.05459	5.9
105.07034	44.3
107.04981	5.1
107.08600	20.3
109.06535	17.6
109.10148	14.0
111.04445	2.4
111.08080	2.9
117.07034	10.4
119.08580	38.0
121.02860	14.0
121.06517	7.9
121.10162	12.3
123.04425	2.1
123.08095	12.1
123.11742	3.2
124.12022	1.8
125.09673	4.5
129.07048	3.0
131.04956	2.4
131.08588	13.0
133.10141	27.0
135.08075	7.8
135.11697	7.8
137.02321	2.7
137.09610	12.2
139.02812	3.0
139.03900	48.2
139.04909	3.3
143.08594	3.1
145.10118	14.7
147.04431	6.1
147.11678	21.5
149.09663	8.3
149.13281	3.9
151.03925	2.8
151.11183	11.5
156.09322	2.0
157.06441	2.1
157.10112	3.7
159.04417	4.3
159.08008	1.8
159.11710	9.5
161.13275	3.9
163.03888	5.9
163.11203	9.8
165.12753	9.2
169.10172	3.7
173.13275	6.9
177.05534	3.0
177.12794	3.4
179.14325	2.2
183.11821	2.2
187.03908	22.2
187.11183	2.3
187.14839	2.9
191.14355	2.2
197.13274	3.8
200.79486	1.7
205.04942	10.0
206.11015	1.6
213.05490	3.0
221.19200	1.7
229.19484	7.1
233.03105	1.7
239.17921	8.2
247.20657	3.3
249.18469	3.0
257.19046	9.9
265.18073	2.0
275.20071	59.0
307.09689	25.7
307.15402	3.3
307.18890	23.1
307.22675	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01863	8.7
55.05518	24.6
56.96572	2.0
57.03420	3.6
57.07070	4.0
67.05176	3.5
67.05510	53.7
69.03441	2.8
69.07075	25.3
69.19704	6.8
69.20121	13.8
71.04969	4.5
79.05503	27.2
81.03422	3.3
81.07067	60.1
83.04988	5.5
83.08630	10.7
85.06529	4.7
86.06097	1.9
89.97262	2.0
91.05482	25.4
93.07050	29.2
95.04975	20.1
95.08609	28.9
97.06534	7.9
97.10163	4.7
98.06049	12.6
99.06388	4.6
103.05450	2.8
105.07049	30.0
107.04968	5.1
107.08603	18.9
109.06515	10.7
109.10162	17.9
110.09665	2.3
111.08088	3.2
117.07017	6.9
119.08589	29.5
121.06509	6.0
121.10132	13.7
123.08075	8.5
123.11691	3.8
131.08623	9.7
133.10149	21.2
135.08043	5.1
135.11710	7.2
137.05984	6.6
137.09616	7.9
139.03864	4.8
143.08516	3.8
145.10185	11.3
147.11707	13.1
149.09610	8.7
149.13298	2.4
151.11180	5.9
155.08591	4.1
157.10126	5.1
159.11685	8.9
161.13243	3.9
163.11154	5.5
163.14955	2.1
165.12764	3.2
167.08698	2.1
173.13271	5.9
175.11143	3.0
177.12813	2.6
181.06563	2.2
187.03947	3.3
223.07468	3.2
229.19440	4.1
239.18098	3.8
247.20602	6.5
251.03481	2.0
251.07100	4.5
257.18887	6.5
261.02969	3.9
265.08624	2.8
275.20087	58.8
277.08456	2.7
289.21643	6.8
307.09625	18.3
307.13303	15.1
307.23038	21.0
307.28256	100.0
325.05573	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	307.227
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03948	7.6
55.01877	17.2
55.05272	3.0
55.05515	46.1
57.03429	4.7
57.07062	7.8
59.04992	2.9
64.31970	2.7
65.03949	4.1
67.05510	83.4
68.05813	2.8
68.99784	6.5
69.03432	5.5
69.06731	3.3
69.07072	49.6
69.79187	4.8
69.79601	8.6
71.04996	7.7
71.08624	2.4
79.05497	57.6
81.03405	9.4
81.06580	5.3
81.07063	100.0
83.04984	10.7
83.08630	28.3
85.06547	7.2
87.72305	2.1
91.05484	48.3
93.07057	48.9
95.04984	46.6
95.08611	62.1
96.09950	2.3
97.06537	17.4
97.10162	11.1
98.06069	6.9
99.06387	3.2
99.08093	3.4
103.05394	2.5
105.06392	4.5
105.07040	54.0
107.04969	14.1
107.08601	37.1
109.06532	20.8
109.10162	27.8
111.00803	10.1
111.08112	5.6
112.07655	3.0
117.07037	17.2
119.06218	2.3
119.08587	41.7
121.06509	7.8
121.10152	30.4
123.08095	24.6
123.11729	11.1
125.09621	4.5
127.03922	83.1
129.07042	3.7
131.08586	23.0
133.10129	29.8
135.08047	10.7
135.11697	10.0
137.05983	6.9
137.09619	22.6
138.06343	3.0
139.03966	12.8
139.07602	2.2
143.08607	4.5
145.10133	20.3
147.11691	24.6
149.09615	12.9
149.13219	5.8
151.11171	9.5
157.10080	3.8
159.11714	14.8
161.09576	2.5
161.13237	11.1
163.11185	8.4
163.14856	6.5
165.12770	7.1
171.11722	5.6
173.13272	10.2
175.11214	3.7
175.14833	3.0
177.12790	5.7
183.11671	4.1
185.13246	2.9
187.14900	3.6
189.12801	3.2
197.13249	5.4
205.15909	2.9
207.13782	4.3
213.16479	2.7
219.17377	4.9
223.17003	4.4
229.19469	3.2
231.17665	2.4
233.15479	2.7
238.62332	2.4
239.17972	5.1
247.20575	14.2
257.19107	12.8
261.03293	2.7
275.20084	97.8
289.21460	16.7
307.19363	3.8
307.22794	47.3
307.28259	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01535	0.5
55.01862	0.6
56.05040	2.9
56.90459	0.5
56.96563	1.8
58.06615	3.8
65.14808	0.5
68.99804	0.7
69.30012	0.6
69.76543	3.2
70.06593	0.9
78.94338	0.6
83.04978	0.8
84.03989	0.9
84.04510	22.1
84.08149	100.0
86.06066	7.0
86.09711	5.5
88.03988	1.0
91.02793	0.6
95.59494	0.6
95.89626	0.5
98.97585	3.0
114.12783	0.6
116.98614	1.1
121.31857	0.6
130.06557	0.7
130.08673	1.3
135.04529	1.3
139.03912	30.3
141.13893	6.5
150.09155	0.6
151.03925	1.0
153.05507	0.8
158.99710	0.8
159.04439	1.3
163.03954	2.8
169.13374	8.4
177.05542	1.2
181.04967	1.1
198.11345	1.8
215.13922	32.8
231.05719	0.7
243.17067	55.7
262.11069	3.1
307.16873	14.1
322.44287	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2059
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
53.03947	3.8
55.01863	6.5
55.05518	9.2
56.96569	4.5
57.03431	3.5
65.03930	2.9
67.05517	12.3
69.07076	10.6
70.20863	7.7
71.04992	2.4
76.78195	2.1
79.05495	16.5
79.20077	2.1
81.03452	2.2
81.07059	22.0
83.05001	4.5
91.05477	23.9
93.07057	15.4
95.04977	25.0
95.08611	11.3
97.06532	13.9
98.97568	2.9
103.05465	4.1
105.07042	38.2
107.04973	4.6
107.08587	12.8
109.06532	8.0
109.10176	6.4
115.05470	4.3
117.07034	10.7
118.20421	1.7
119.08595	35.8
121.02915	3.1
121.06481	2.3
121.10171	10.3
123.04404	2.4
123.11678	2.0
128.06207	11.8
129.07008	14.7
130.07799	4.2
131.08585	16.8
133.06462	2.8
133.10147	43.4
135.08063	2.3
137.05937	3.2
139.03905	25.7
141.07013	7.3
142.07776	13.5
143.08577	35.3
144.09354	6.3
145.06465	3.1
145.10144	24.7
147.08064	7.3
147.11694	5.6
147.59648	1.7
149.09637	4.3
153.06998	4.1
154.07793	6.0
155.08549	9.8
156.09361	11.3
157.10153	24.8
158.10907	6.5
159.08054	2.6
159.11722	17.6
161.09651	6.8
161.13162	1.8
163.03973	3.1
165.07025	4.5
166.07898	4.2
167.08583	15.0
168.09373	5.3
169.10158	18.3
170.11090	4.5
171.11694	16.8
173.11990	2.2
173.13269	11.2
175.11337	1.9
178.07794	3.3
179.08615	9.8
180.09367	4.7
181.10097	14.2
182.10927	17.2
183.11739	12.5
184.12466	3.4
185.09659	3.1
185.13300	3.5
187.03928	5.1
187.11201	6.5
191.08653	3.2
192.09288	5.6
193.10146	16.4
194.10931	7.1
195.11726	13.8
196.12529	6.6
197.13280	20.5
198.14020	4.4
199.14882	7.6
203.08514	3.0
204.09319	2.4
205.10204	6.9
206.10962	9.7
207.11719	17.4
208.12515	11.1
209.13304	17.3
210.14182	2.5
211.14851	11.3
213.12868	2.1
214.89430	1.9
217.10059	2.8
218.10954	5.1
219.11705	10.0
220.12503	7.1
221.13245	23.5
222.14090	6.2
223.11241	2.7
223.14874	14.6
230.10922	2.7
231.11540	3.1
232.12521	6.9
233.13277	17.1
234.14053	5.3
235.14874	7.5
237.12955	3.7
237.16440	7.8
239.18027	2.7
244.12590	3.8
245.13274	5.8
246.14061	3.8
247.14900	9.0
248.15651	7.7
249.16432	7.2
251.14320	8.7
259.14902	8.2
260.15637	2.7
263.17990	24.8
265.15851	4.0
274.17233	9.4
279.21204	7.9
289.19644	19.9
292.18143	2.9
307.06604	2.3
307.09747	6.8
307.20621	100.0
308.20956	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	307.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41400	3.6
69.89184	19.1
98.20847	7.3
101.00890	5.6
118.53754	3.9
119.01958	5.9
131.01852	4.4
133.03459	5.7
143.62772	3.8
156.25082	4.3
164.76031	3.5
191.14864	5.0
202.89137	5.7
277.07663	7.5
307.07385	25.8
307.10580	100.0
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
55.01868	1.6
55.05515	1.2
56.96549	0.7
65.09218	0.5
69.53487	0.9
69.53818	4.0
71.05029	0.5
79.05479	1.0
81.07057	0.6
86.06068	1.0
87.08123	1.0
91.05488	1.2
94.06612	0.7
105.03403	1.0
107.08610	1.6
108.04491	1.1
119.04917	0.7
121.02882	1.5
122.06057	1.8
124.07585	0.6
132.08136	0.7
134.09763	0.6
135.08061	2.1
136.07597	1.1
137.56866	0.5
138.05566	0.7
140.07059	2.3
146.05984	0.8
150.05536	0.8
156.08119	0.8
160.07610	1.9
161.02303	1.4
163.08672	1.2
168.06615	1.2
172.04288	1.1
172.07605	0.7
174.09146	2.6
177.10246	1.3
178.08646	15.5
182.08200	0.7
184.07629	2.1
187.08752	1.6
188.07097	2.7
189.01855	7.0
189.10300	0.9
190.08606	0.8
191.08200	1.0
195.94122	0.5
198.09158	1.7
201.06662	0.7
201.10321	2.7
202.08612	5.3
204.07536	0.8
204.10260	0.6
205.09746	3.4
206.08141	2.6
207.02878	3.5
212.07039	1.1
215.11850	0.6
216.10266	1.6
219.06511	1.0
219.11243	4.5
220.09721	2.1
225.10121	0.7
226.08658	2.2
229.09747	4.6
230.08138	3.0
243.11240	1.6
244.09700	3.8
247.08313	0.6
247.10834	11.6
247.96077	0.6
248.09108	0.8
254.08289	0.7
261.07550	1.0
261.12344	0.7
262.10788	1.9
265.07419	1.2
265.11874	12.8
271.10638	1.8
272.09256	1.3
275.14075	0.9
289.11856	16.2
290.10431	0.9
290.14114	0.8
307.05942	17.0
307.12918	100.0
308.13062	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01871	1.3
55.05507	3.8
56.96577	1.6
57.03435	1.4
57.07074	0.7
58.42633	0.6
59.05028	0.6
65.03960	1.2
66.54280	0.5
67.05512	7.3
69.03439	0.9
69.07074	3.5
71.04998	3.5
71.55620	0.6
72.13240	0.6
79.05494	6.8
81.03426	2.4
81.07065	6.8
83.05002	1.3
83.08622	2.0
85.06561	0.7
90.05152	0.7
91.05482	12.9
91.06019	1.0
93.07053	5.7
95.04972	3.8
95.08601	6.1
97.06564	1.8
97.10184	0.9
98.97584	1.3
103.05473	9.1
105.07037	8.6
106.51141	0.7
107.04973	7.4
107.08627	5.0
107.09280	0.7
109.06553	2.9
109.10162	2.9
116.98651	0.9
117.07036	3.1
119.04975	10.6
119.08603	6.7
121.02880	3.3
121.06514	2.3
121.10177	2.9
123.08071	2.3
123.11712	0.6
125.09637	1.3
129.06979	1.4
131.04942	8.1
131.08583	2.9
133.06584	0.8
133.10155	4.8
135.04446	0.7
135.08061	2.2
135.11699	1.4
137.09656	2.2
139.03906	14.0
145.10161	4.1
146.03633	1.8
147.04433	18.3
147.11684	4.0
149.09605	1.1
149.13275	1.1
151.03929	1.0
151.11194	2.2
154.67386	0.7
157.06520	1.0
157.10095	1.1
159.04453	2.3
159.11711	2.1
161.05977	6.8
161.13298	1.2
163.03931	1.9
163.07472	0.6
163.11250	1.5
165.09132	2.0
165.12785	1.0
171.11678	0.7
173.05978	0.7
173.13324	1.5
174.03178	1.4
175.11171	0.7
177.05481	3.2
185.06050	0.7
187.03935	26.9
189.05447	0.7
197.13284	0.9
205.04915	0.9
211.14806	0.8
213.05589	1.2
217.12131	0.9
233.15358	1.0
235.13329	1.8
239.17955	1.4
252.63272	0.7
257.18979	2.1
261.09189	1.5
261.18634	0.9
269.12308	1.2
275.20081	10.3
285.09958	0.7
289.18018	2.1
289.21368	1.0
292.07309	1.1
307.09686	100.0
307.19101	1.6
307.22696	15.5
308.10049	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0814
Annotation	(-)-Gallocatechin
Peak:m/z	Relative Intensity
50.06628	0.2
53.00301	0.5
53.03961	0.2
55.01865	0.7
59.26265	0.2
59.29820	0.2
65.03935	1.0
67.05505	0.6
67.24305	0.3
68.99793	1.0
71.13264	0.5
76.51665	0.3
81.03407	0.3
83.04965	0.5
93.03420	0.6
95.04978	1.6
97.02895	0.3
100.08963	0.2
103.05491	0.3
107.04984	1.5
111.04446	1.6
117.03409	0.3
121.02870	1.0
123.04427	1.4
127.03949	0.5
131.04918	0.8
132.49591	0.3
133.02856	1.3
135.04417	2.5
139.03908	100.0
140.04297	0.6
145.02869	0.5
149.05992	1.1
151.03905	4.5
153.01828	0.5
153.05453	1.4
159.04440	2.7
163.03915	9.5
167.07095	0.3
169.04942	2.5
175.03911	0.3
177.05476	3.0
181.04961	6.1
195.06511	3.3
205.04997	1.0
219.06566	0.3
223.06104	1.2
247.06052	0.6
289.07169	0.9
307.08350	0.7
317.30637	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0816
Annotation	(-)-Gallocatechin
Peak:m/z	Relative Intensity
52.13226	0.3
53.00307	0.5
55.01866	0.8
65.03939	0.9
67.05486	0.6
68.99780	1.1
69.88432	1.4
70.06592	0.5
79.05496	0.6
83.04998	0.6
86.09723	0.3
87.14840	0.2
87.88286	0.2
93.03413	0.7
95.04978	1.3
99.04458	0.3
103.05454	0.2
107.04992	1.4
111.00780	0.3
111.04456	1.2
117.03457	0.3
121.02883	0.9
123.04433	1.3
127.03944	0.8
130.06564	0.5
131.04991	1.4
133.02884	1.1
135.04451	2.7
138.54091	0.3
139.03920	100.0
140.04250	0.8
145.02808	0.4
149.05995	1.0
151.03937	3.8
153.01880	0.8
153.05479	1.2
157.07594	0.5
158.06042	0.5
159.04442	2.7
163.03928	9.7
167.07054	0.4
169.05008	1.8
177.05516	3.5
181.04973	4.8
195.06578	3.1
201.05455	0.3
205.05042	0.8
223.06068	1.1
247.06042	0.6
261.08865	0.3
265.07303	0.3
289.07059	0.8
289.11526	0.3
307.08069	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0806
Annotation	(-)-Gallocatechin
Peak:m/z	Relative Intensity
53.00320	0.4
55.01875	0.6
56.19804	0.4
56.96552	0.8
57.80207	0.3
57.89265	0.4
65.03938	1.4
67.05504	1.2
68.99794	0.7
69.03441	0.5
69.18159	4.5
69.18497	0.7
79.05511	0.8
81.03417	0.6
83.04960	0.8
83.63690	0.4
84.08157	0.8
88.38274	0.4
93.03389	0.9
95.04959	1.5
97.02899	0.5
98.20732	0.8
98.97587	0.4
101.00887	1.8
103.02502	0.5
107.04960	1.7
111.04450	1.5
112.09386	0.4
113.00874	0.7
115.02425	0.6
119.01931	2.5
121.02866	0.9
123.04411	1.2
127.03912	1.2
131.01929	0.6
131.04956	1.1
132.08430	1.3
133.02794	1.2
133.03612	0.7
135.04437	2.7
139.03914	100.0
140.04308	0.8
143.01941	0.9
145.03603	0.7
147.04410	0.6
149.06035	1.0
151.03894	4.0
153.01855	0.7
153.05463	0.8
155.01891	0.4
157.03465	1.4
159.04359	2.8
161.03012	1.2
163.03915	9.6
168.66249	0.4
169.04980	2.1
173.02991	0.5
175.04544	1.2
177.05473	3.3
181.04959	4.7
187.01054	0.5
195.06483	2.3
202.87451	0.4
203.04077	0.8
205.05060	0.8
215.00414	0.7
219.03523	0.6
223.06068	1.5
229.01888	0.5
235.06631	0.6
247.02957	1.3
247.06087	0.8
253.07857	0.8
261.08090	0.5
265.07584	0.5
277.07730	2.2
279.09268	0.9
279.38455	0.5
289.07318	0.8
295.08786	1.1
307.10419	6.6
307.15735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42714	0.3
59.68612	0.3
67.05508	0.4
69.07072	1.4
81.07034	0.6
91.05503	0.6
94.04205	2.3
97.06578	0.6
100.82564	0.3
107.08645	0.4
109.06542	0.3
109.10159	0.4
122.03664	6.2
126.09185	0.4
133.10132	0.6
135.11691	1.1
137.05992	100.0
138.06345	0.6
151.11252	0.5
153.12729	1.6
170.15424	2.8
182.15431	2.7
297.85660	0.4
306.20728	0.9
317.71011	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30040	1.0
65.18604	1.1
69.43552	1.2
70.36545	3.6
86.22323	1.0
97.02897	1.2
97.11366	1.1
98.21252	2.4
101.00876	3.4
113.03461	1.9
119.01922	3.2
158.99913	3.4
177.01003	12.1
201.00972	3.9
217.04056	2.2
219.02010	16.1
220.02155	1.5
222.01895	1.5
225.00938	2.1
243.02016	11.5
261.03098	100.0
262.03351	2.4
263.03299	1.1
284.04675	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	305.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	64.9
57.07071	25.9
65.78955	12.8
67.05515	50.0
69.03431	33.9
69.07070	65.4
79.05505	60.8
81.07074	77.4
83.04993	32.9
83.08643	17.1
85.06552	20.8
91.05518	21.4
93.07044	80.4
95.08624	65.3
105.07016	22.1
107.08616	41.2
109.10190	55.0
111.04444	57.8
111.07977	15.7
119.08590	22.7
119.12530	18.2
121.10195	100.0
123.11681	17.6
129.05499	93.7
135.11679	37.7
147.11656	16.3
191.17995	91.5
203.17967	23.8
209.19063	72.2
212.70497	15.7
225.91457	14.3
251.20073	36.5
269.21088	18.3
294.34644	15.5
298.59268	14.8
305.22028	25.8
305.30237	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	305.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73024	7.0
52.29914	7.3
55.01878	8.0
55.05512	42.3
55.06187	6.9
56.96579	9.2
57.07063	21.4
67.05505	65.6
67.56485	7.2
69.03433	50.3
69.07077	36.0
69.23924	29.8
69.24352	36.3
71.04980	11.3
79.05492	76.1
81.03413	16.4
81.07058	72.1
83.04987	37.2
83.08614	24.3
85.06532	10.1
86.09702	17.1
91.05472	29.9
93.07059	75.2
95.04955	13.4
95.08624	67.8
97.06546	8.4
97.10132	8.9
98.20791	14.2
98.97590	19.2
105.02602	7.7
105.07024	18.1
107.08598	49.9
109.02882	27.4
109.06509	12.4
109.10157	48.6
111.04482	52.0
117.06971	8.4
118.21511	7.9
119.08588	19.1
121.10152	73.1
123.04414	24.6
123.11713	11.5
125.05988	9.6
127.03941	61.0
129.05484	100.0
131.08566	13.7
133.02852	12.0
133.10109	15.9
135.08025	8.5
135.11700	50.8
139.03912	63.2
139.07518	12.1
147.04407	19.2
147.11612	9.4
149.13252	20.3
151.03897	99.5
155.03371	28.5
175.03992	12.0
179.03368	23.7
191.17963	70.9
193.05170	10.2
209.19048	59.7
215.17963	10.3
233.18958	10.1
251.20045	30.0
269.21118	20.8
275.05554	10.3
287.05447	31.9
305.06555	13.0
305.17365	8.8
305.24939	15.4
305.28760	20.4
317.40109	7.0
317.57968	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	305.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36976	1.3
53.03951	1.6
55.05508	8.2
57.07059	4.6
59.06124	2.1
60.04532	7.2
67.05506	15.5
69.03429	6.4
69.07079	12.8
70.06585	1.7
70.31713	1.4
70.59522	2.7
70.59864	2.0
71.08644	1.8
76.04007	1.9
76.47355	1.6
79.05492	12.7
81.07065	21.1
83.04967	3.8
83.08610	3.1
85.06575	1.9
91.05494	9.7
93.07047	17.8
95.08614	20.3
97.06526	1.8
97.10166	2.3
105.07030	17.3
107.07973	1.4
107.08627	15.4
109.10158	15.5
111.04471	8.9
116.64388	1.3
119.08578	14.0
120.08128	2.1
121.10157	16.7
123.11716	3.1
125.05912	1.8
127.11210	1.6
129.05487	14.5
131.08556	3.8
133.10141	12.1
135.08051	2.3
135.11664	8.6
145.10159	2.7
147.11688	16.7
149.13342	2.1
159.11591	1.6
161.13278	3.8
166.83740	1.3
175.14821	2.6
176.13087	1.6
187.14877	1.5
189.16360	2.1
191.15434	1.9
191.17928	16.5
191.45139	1.6
203.17973	10.6
207.14973	2.6
209.19054	8.6
245.20177	8.2
246.18498	2.3
247.21722	11.3
248.22153	3.4
251.20113	4.8
263.21213	40.4
269.21143	2.7
277.42838	1.4
287.20959	1.9
305.22244	100.0
316.19028	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82119	13.3
55.05505	35.4
57.07069	33.9
63.10701	10.6
67.05496	46.2
69.03426	41.4
69.07060	32.6
71.16183	28.1
75.60822	11.6
78.63281	12.4
79.05488	53.7
81.07066	59.5
83.04967	37.5
83.08607	30.6
91.05483	19.4
93.07046	67.9
95.08605	60.6
105.07030	18.6
107.08635	26.1
109.10165	42.7
111.04432	40.3
112.48015	12.4
119.08593	16.9
121.10136	66.3
129.05481	100.0
133.10089	12.7
135.11681	35.1
149.13397	15.2
191.17950	77.5
209.18971	47.2
251.20140	21.9
259.98224	13.6
269.21109	19.1
305.30670	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	305.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.2
55.05509	43.2
56.96560	19.0
57.07075	16.5
67.05507	55.7
68.99802	5.0
69.03445	46.7
69.07073	41.0
69.87138	21.3
71.04993	8.4
71.08625	11.9
79.05498	57.0
81.03432	6.0
81.07058	56.6
83.05002	27.3
83.08631	18.6
85.06547	12.7
91.05476	14.3
93.07041	64.1
95.04968	6.7
95.08612	60.3
96.73914	5.0
97.06547	8.9
97.10160	11.7
98.20770	4.5
98.97599	12.5
99.08101	4.3
105.07034	10.0
107.04964	7.5
107.08587	42.5
109.02877	14.3
109.06516	6.6
109.10161	39.2
111.04456	53.1
111.08104	7.3
119.08585	10.0
120.99905	4.7
121.10146	64.7
123.04443	25.6
123.11713	9.2
125.05967	8.5
127.03918	26.8
127.11150	6.0
129.05482	94.2
133.02814	6.8
133.10133	8.8
135.08070	8.9
135.11705	36.3
139.03912	30.8
139.07526	7.7
145.10112	5.6
147.04408	10.3
149.02316	6.9
149.13278	13.8
151.03944	41.9
153.09079	5.6
155.03430	11.9
159.11749	7.2
164.76379	4.3
167.03448	6.3
171.11755	4.2
179.03479	10.7
191.17958	100.0
195.08134	6.5
205.19539	6.5
208.83928	4.6
209.19006	71.5
215.17911	10.8
233.19000	11.4
242.88846	4.5
251.20160	26.0
251.22386	4.1
269.21075	25.7
282.11026	10.5
300.12054	9.2
305.06528	4.3
305.11780	19.6
305.17242	41.7
305.20877	6.3
305.24799	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	305.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	38.8
57.07067	16.5
57.44905	4.8
67.05517	55.6
68.83939	6.7
69.03439	40.2
69.07076	55.4
71.00095	5.4
71.08650	6.6
71.55884	8.1
72.04527	9.4
79.05489	66.8
81.07059	59.3
83.04983	24.6
83.08615	20.9
85.06551	9.7
91.05473	21.9
93.07055	68.4
95.08611	72.6
97.10176	12.6
105.07036	10.6
107.08607	48.3
109.10172	42.2
111.04449	65.9
117.07053	7.4
119.08586	12.7
121.10170	62.6
123.11670	6.3
125.06021	9.7
125.09629	11.2
129.05495	98.0
131.08600	6.5
133.10114	7.8
135.11716	36.5
137.05965	8.1
139.07585	8.9
145.10059	8.1
149.09685	7.0
149.13307	9.8
155.13208	5.5
189.16437	9.2
191.17950	100.0
209.19023	76.7
215.17947	8.9
233.18921	8.6
237.16690	5.8
251.20088	26.1
269.21167	25.5
305.15851	8.2
305.21313	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	305.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52818	7.2
55.05509	39.0
57.07063	29.6
67.05508	61.0
69.03436	48.0
69.07066	48.1
69.24182	63.2
69.31448	6.8
71.04976	8.8
71.08625	12.1
79.05499	64.4
81.07053	87.6
83.04968	33.3
83.08613	26.4
85.10143	11.3
91.05479	28.2
93.07061	64.3
95.04972	7.3
95.08614	100.0
97.06557	11.8
97.10138	12.0
98.21584	10.1
105.06998	19.9
107.08597	47.9
109.06509	26.3
109.10163	63.7
111.04440	53.7
111.11649	8.0
119.08612	14.0
121.10126	65.6
123.07986	7.9
123.11701	10.8
125.06023	10.1
127.11188	10.5
129.05479	91.0
131.08443	7.6
135.11719	48.1
139.07562	11.6
143.94916	8.7
147.11694	15.6
149.13261	14.0
161.13237	14.8
163.14709	6.9
191.17973	91.9
197.15376	14.8
203.18069	18.6
209.18991	62.7
233.18982	15.1
251.20068	28.0
259.24274	52.3
267.15833	14.5
269.20953	21.0
305.21161	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38629	5.1
55.01884	5.5
55.05516	35.3
57.07071	25.7
60.46893	6.4
67.05511	60.2
69.03442	42.4
69.07069	46.0
69.30354	31.1
69.30770	19.2
71.05034	6.0
71.08641	10.5
79.05502	59.5
81.07066	61.1
83.05000	31.5
83.08623	18.8
85.06541	11.8
87.64487	5.6
91.05495	17.7
93.07041	63.0
95.08611	62.8
97.10187	11.2
98.20783	9.1
102.01511	5.7
107.08621	30.7
109.10165	31.9
111.04453	61.5
111.11695	8.2
119.08512	7.1
121.10146	64.5
123.11687	5.6
125.05974	11.9
127.07546	6.3
127.98257	5.8
129.04628	10.3
129.05495	97.9
131.08569	9.5
135.11694	37.0
137.05952	6.8
139.07620	8.6
151.14911	6.8
164.53957	5.7
189.16402	7.6
191.17952	100.0
205.19519	7.2
209.18994	52.8
215.17996	13.3
233.18939	12.5
251.20015	29.7
269.21149	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	305.2225
Annotation	Serratinidine
Peak:m/z	Relative Intensity
52.10597	1.4
55.05504	7.4
56.05061	2.0
57.07073	3.0
59.06106	2.4
60.04533	8.3
67.05518	12.9
69.03428	3.8
69.07066	12.4
69.28772	3.6
69.29182	10.4
71.08619	2.7
76.04017	2.4
79.05492	12.2
80.22113	1.4
81.07058	17.3
83.04970	3.4
83.08615	3.8
85.06551	2.1
91.05481	12.2
93.07063	14.9
95.08614	23.7
97.07654	2.4
97.10178	1.5
98.21484	2.5
100.90479	1.4
105.07046	20.7
107.08596	14.9
109.06506	1.5
109.10165	13.5
111.04444	7.4
117.07041	2.8
119.08592	18.0
121.10152	11.1
123.11707	3.6
129.05467	10.4
131.08543	3.7
133.10115	14.3
135.11708	6.9
145.10132	2.2
147.11703	17.5
159.11786	1.9
161.13283	5.2
189.16440	1.7
190.12137	1.4
191.17917	10.2
203.17976	11.7
207.14943	2.1
209.18980	6.9
210.03171	1.4
220.78725	1.5
228.17702	1.6
230.19150	1.8
233.19012	2.1
245.20227	7.5
246.18732	2.1
247.21696	12.2
248.22081	2.7
251.20146	2.8
263.21201	46.0
269.21283	2.1
287.20975	2.4
305.22250	100.0
325.96439	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1597
Annotation	Creoside I
Peak:m/z	Relative Intensity
52.55403	1.7
53.03946	2.1
55.01865	5.0
55.05504	4.3
56.96566	3.6
57.07064	1.7
65.03950	2.1
66.04124	1.6
67.05502	4.5
68.99782	6.4
69.03438	8.1
69.76291	9.1
70.06579	2.3
71.04996	13.7
71.15791	1.5
72.04506	1.7
79.05526	2.8
81.03426	10.9
81.07064	3.0
83.04987	6.0
83.08619	1.8
84.08167	2.0
85.02905	14.2
85.06532	6.3
86.09702	3.2
88.04023	1.7
91.05474	5.2
93.82162	1.7
95.04980	9.8
97.00548	2.1
97.02887	9.0
97.10175	5.2
98.97580	6.2
99.04458	3.8
103.03918	2.0
105.03368	4.9
105.06992	1.8
107.04921	1.7
107.08598	21.8
108.08109	3.3
109.02895	21.8
110.97594	2.2
111.00795	5.4
111.02018	1.8
111.04431	3.2
115.05560	1.9
116.98636	2.7
119.04958	3.3
120.08143	3.8
121.02898	3.8
123.04450	33.0
124.07607	5.2
125.02384	1.6
125.09650	39.8
127.03931	70.4
131.04918	2.6
133.02850	13.4
135.04466	2.0
136.07584	26.6
137.06021	2.5
139.03922	65.5
139.04962	2.2
143.10683	34.1
146.06044	3.3
147.04401	11.9
149.02345	16.5
149.05980	2.5
150.03088	2.1
151.03917	100.0
153.01831	13.2
153.05446	2.8
155.03429	19.6
157.06479	3.9
157.07645	2.1
163.03955	2.0
164.07121	11.2
167.03439	2.8
167.10680	5.7
175.03931	14.1
176.62700	2.2
177.05479	3.4
179.03397	23.6
179.06921	2.3
185.05983	4.7
201.05495	3.6
203.03363	12.4
212.01804	1.9
213.05473	8.0
213.10283	2.7
217.05116	2.1
229.04990	3.8
231.06415	11.1
241.05016	7.7
241.09547	2.2
241.13385	6.3
247.06161	3.1
257.04590	2.3
259.06000	19.0
259.11737	2.2
259.14383	9.5
269.04514	2.1
269.12900	11.8
275.05521	10.1
277.06985	11.3
287.05496	30.6
287.10269	4.7
287.13898	10.4
305.06491	18.9
305.11417	5.9
305.15002	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	305.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.6
55.01881	0.6
55.05510	1.6
55.62403	0.4
56.68777	0.5
56.96562	1.5
57.03429	0.8
59.05035	0.4
61.86394	0.4
65.03929	0.8
67.05505	3.3
69.03427	1.1
69.07083	2.2
73.60211	0.5
77.03946	0.5
79.05502	1.6
81.03433	1.5
81.07069	5.3
83.04993	0.6
83.08628	0.4
84.04501	2.6
85.02912	4.6
85.06529	0.7
87.04484	0.7
91.05484	5.3
91.73142	0.4
93.05801	0.5
93.07043	6.3
94.06566	0.7
95.04977	3.7
95.08605	3.4
96.08108	0.7
97.02891	1.9
97.06525	0.7
97.10210	0.6
98.97590	2.0
102.05553	1.6
105.07051	1.7
107.04977	0.6
107.08595	2.2
108.04487	0.7
108.08125	1.4
109.02850	0.7
109.06548	0.9
109.10181	2.3
113.02360	0.4
117.07014	0.5
118.06567	1.5
119.07291	0.4
119.08578	1.9
120.04469	1.1
121.06561	0.7
121.10143	1.7
122.06033	4.2
123.04430	1.5
123.11699	0.8
124.07593	10.5
125.09670	0.7
126.05518	1.3
127.03918	2.5
130.05011	10.8
131.00172	0.5
131.08577	1.2
132.08109	0.6
133.06465	0.5
133.10135	2.1
135.08067	0.7
135.11705	1.5
136.07582	100.0
137.02351	1.2
137.08041	0.6
138.05519	0.5
138.09138	0.5
139.03925	1.9
140.07050	1.6
143.03441	0.9
145.10123	1.0
147.11726	1.3
149.02341	0.7
149.09570	0.5
149.13295	1.0
150.05536	1.4
151.03908	2.1
152.07072	19.6
153.01810	1.3
157.10127	0.6
158.99634	0.7
159.11691	1.1
161.13321	0.5
164.07074	76.3
170.08153	4.8
175.03978	0.5
176.14360	25.2
179.03459	0.9
182.08138	15.1
186.09021	0.6
231.06506	0.6
241.09683	0.6
243.11337	0.7
260.09152	0.8
284.44666	0.5
287.10287	3.1
287.13889	5.8
287.16718	0.6
287.23538	0.8
288.15912	1.3
305.05414	0.6
305.11252	1.8
305.14804	3.2
305.18506	7.7
305.24628	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	305.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
55.05523	0.7
56.96571	0.8
65.03941	0.8
67.05521	1.6
68.99790	0.6
69.03430	0.5
69.07076	0.6
71.12531	0.8
77.03949	0.6
79.05493	1.0
81.03434	0.8
81.07070	2.5
81.74788	0.5
83.05013	0.5
85.02913	0.5
88.32905	0.4
91.05504	4.2
93.05803	0.5
93.07045	3.6
94.06614	1.0
95.04974	1.3
95.08633	1.0
96.08142	1.1
97.06544	0.4
97.72525	0.4
98.97575	5.6
105.04507	0.8
105.07049	0.5
107.08678	0.4
107.85500	0.4
108.04510	0.6
108.08141	2.5
109.02890	1.2
109.06468	0.7
109.10165	0.5
110.97581	0.6
112.99159	0.9
116.98645	1.7
119.08588	0.5
121.10135	0.7
122.06028	4.1
122.19091	0.4
123.04424	0.7
124.07607	11.3
126.04037	0.4
126.05537	0.7
127.03894	3.2
131.00221	1.0
133.02858	0.5
135.36130	0.4
136.07588	100.0
137.02353	1.8
137.07901	0.7
138.09178	1.2
139.03940	1.6
140.07060	1.2
143.03403	0.4
150.05467	0.8
151.03918	3.5
152.07080	19.6
153.01895	1.2
155.03462	0.7
158.99710	1.5
164.07079	73.9
166.08646	0.5
170.08138	3.6
173.01242	0.5
175.03923	0.5
177.00751	1.5
179.03427	1.0
182.08150	14.8
191.02295	0.8
200.10751	1.4
202.10995	0.6
202.98618	0.5
207.09932	0.5
207.59816	0.9
214.12268	0.7
217.13487	0.9
244.99800	0.5
245.12871	3.9
287.05624	0.6
287.13895	9.5
305.11655	0.8
305.14996	1.7
305.24847	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39179	0.7
53.96777	0.7
55.01861	0.7
55.05521	1.0
61.89770	0.6
62.12966	0.7
67.05493	2.1
69.07088	0.8
71.54976	0.7
72.33044	0.6
79.05502	1.2
81.03426	1.0
81.05801	0.8
81.07047	2.5
84.08167	0.9
91.05477	5.8
93.05801	1.2
93.07059	2.5
94.06596	1.1
95.04967	1.8
95.08617	1.6
96.08120	2.0
98.97582	1.9
103.05463	1.4
108.08154	2.5
109.10149	0.8
118.84262	0.7
119.08632	0.8
119.50195	0.7
121.02885	0.7
121.10190	0.6
122.06065	3.8
124.07595	11.0
126.05526	1.9
127.03876	0.8
131.04948	1.5
136.07588	100.0
137.06006	1.6
137.07913	0.7
138.09135	1.3
139.03947	2.4
140.07130	1.3
145.02823	0.9
147.04422	0.9
151.03998	0.9
152.07079	17.0
153.01871	1.5
164.07079	69.5
166.08685	0.8
170.08107	3.4
182.08138	13.1
187.03922	1.2
205.05003	1.4
259.14313	0.9
287.13989	3.6
305.05374	1.0
305.08182	10.7
305.15036	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	305.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
70.05347	19.6
72.03950	7.6
79.16134	6.7
98.20849	14.3
101.00876	17.2
107.83172	7.7
109.02867	7.9
113.00874	7.1
119.01856	7.7
122.70491	6.8
123.04405	12.0
127.03911	33.5
139.03914	21.9
143.08136	16.5
147.04738	6.3
148.80247	7.3
151.03925	27.3
155.03441	8.5
157.03479	8.0
179.03453	10.5
185.03012	9.4
305.06488	47.2
305.11996	100.0
323.08066	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	305.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01871	1.1
55.05512	0.9
56.05032	0.6
56.96565	1.4
57.03439	1.4
65.03938	0.4
67.05514	1.5
67.19400	0.3
68.99799	0.5
69.03432	1.8
69.07091	0.8
69.44840	0.7
69.45242	2.6
73.37296	0.3
77.03928	0.5
79.05497	1.6
81.03420	0.7
81.07059	2.4
84.04523	0.7
85.02914	1.6
85.06558	0.5
86.06075	0.9
86.09685	0.8
87.00824	0.8
91.05485	4.6
93.05801	0.4
93.07059	3.2
94.06571	1.1
95.04989	1.9
95.08607	1.1
96.08141	1.2
97.02880	0.4
97.06538	0.8
98.09719	1.1
98.97598	3.6
105.04523	0.5
105.07037	0.9
107.04942	0.6
107.08574	0.7
108.08163	1.9
109.02887	0.7
109.06544	0.5
109.10105	0.5
112.99101	0.4
116.98634	1.6
116.99446	0.4
119.08585	0.5
122.06053	3.3
122.09658	0.4
123.04432	1.5
124.06699	0.8
124.07599	10.6
126.05520	1.7
127.03922	1.4
127.70637	0.4
130.06529	1.7
130.07381	0.4
133.10112	0.4
134.99716	0.4
135.08064	0.4
136.07588	100.0
137.02321	0.5
137.06006	0.9
137.07928	0.8
138.09154	0.7
139.03903	1.3
140.07068	1.4
143.03357	0.6
145.10062	0.5
146.05972	0.4
146.99617	0.4
149.01225	0.5
149.02312	0.9
150.05518	0.8
151.03876	2.4
152.07072	19.7
153.01846	1.1
155.03398	0.5
158.99667	0.9
161.04424	0.5
164.07080	73.5
165.07356	0.5
170.08138	5.4
171.02985	0.4
172.04240	0.7
173.01266	0.7
177.00853	0.8
182.08147	14.2
182.09801	0.8
189.25296	0.4
191.02296	0.6
192.10127	0.6
201.10246	0.5
206.58536	0.4
207.07935	0.4
217.09737	0.5
217.13356	1.4
231.14937	1.1
232.12146	0.7
244.10258	0.5
245.12842	2.1
259.10944	0.5
259.14273	0.5
269.12885	0.6
277.15469	1.3
287.10397	1.6
287.14014	7.3
305.05704	0.4
305.14935	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	304.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.5
55.01876	2.9
57.03434	5.0
58.06599	1.9
60.04539	7.7
61.02925	4.4
69.03438	13.5
69.07077	41.5
70.06592	3.7
70.89346	2.9
71.01360	1.3
71.08636	20.9
72.08155	1.7
73.02913	1.8
75.69376	1.3
81.03428	7.4
81.07048	1.3
83.01334	1.4
83.08619	1.7
84.04516	4.7
85.02913	70.9
86.02447	6.8
86.06068	1.6
91.03978	1.2
92.48177	1.4
94.06558	2.0
96.08119	2.9
96.52811	1.3
97.02298	3.0
97.02905	44.9
97.06520	6.4
98.97559	2.0
99.04495	1.6
101.02349	1.7
102.30660	1.4
103.03971	6.7
108.38992	1.3
109.02898	15.5
110.02398	1.7
114.09175	18.3
123.04443	3.3
127.03923	15.8
130.06569	1.7
138.09161	3.6
139.03891	3.0
142.08650	100.0
145.05005	8.6
149.02451	1.6
151.03981	2.4
152.09416	1.3
156.10196	3.8
159.08904	1.1
166.08630	1.7
170.27353	1.1
180.10213	1.8
184.09712	83.0
184.53407	1.3
208.09702	17.5
220.09808	2.3
223.07564	5.4
231.06441	1.8
238.10745	3.9
250.10826	10.8
259.06000	2.0
286.12738	2.0
304.05359	1.5
304.13837	2.6
305.15817	2.3
317.65155	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1505
Annotation	Nicotianamine
Peak:m/z	Relative Intensity
54.57001	0.8
56.04797	0.8
56.05043	12.1
58.06606	7.8
64.74809	0.7
68.05032	3.6
70.06258	0.9
70.06600	11.4
70.97716	0.6
70.98071	1.3
72.08152	1.3
74.06080	1.7
82.06561	1.0
84.04487	2.3
84.08134	1.6
85.02879	0.8
85.07673	3.4
86.05588	1.2
86.06069	15.5
86.09701	0.9
88.03961	0.9
91.23667	0.7
97.07617	0.8
98.06016	0.9
98.09716	1.5
100.04002	4.4
102.05552	7.5
110.98136	0.7
111.09161	0.9
114.05542	49.7
118.11517	0.7
121.02002	0.7
124.07610	6.7
127.03877	1.4
128.07080	3.2
129.06572	4.1
130.05035	1.6
131.01855	0.8
139.03870	2.7
139.08688	2.5
140.07072	0.8
141.06573	1.1
141.10233	9.9
142.08638	6.9
145.09746	1.6
147.04398	3.0
151.03938	1.2
151.08635	1.6
157.09741	5.2
158.08121	0.9
168.06516	0.9
168.11345	3.3
169.09712	0.9
170.12811	0.8
185.09232	100.0
186.07646	4.6
196.10786	3.0
203.03520	0.9
203.10295	3.2
214.11974	2.4
215.10332	2.2
223.04654	0.9
224.04845	0.8
240.13411	3.7
258.14520	1.6
268.12860	2.0
277.77890	0.7
283.18704	0.9
286.13992	48.2
304.11578	1.0
304.15021	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.9
56.96568	1.5
57.03436	1.1
69.03425	1.9
69.07095	1.1
69.60464	6.1
78.16803	0.9
79.05505	5.5
80.04995	1.7
81.03402	0.9
81.05796	4.6
81.07069	4.3
84.96049	0.9
85.02908	2.8
91.05482	1.6
94.06551	2.3
96.08141	16.7
97.06522	1.5
98.21519	1.9
98.97614	4.1
103.60558	0.9
105.03324	0.8
106.06557	2.8
107.04953	1.2
111.05587	2.1
111.09206	1.0
113.43619	0.9
122.06059	0.9
123.04420	1.7
124.07603	100.0
125.05960	1.6
126.96865	0.9
127.03912	3.7
129.79031	0.8
130.06551	0.9
133.02811	0.9
134.06003	1.0
135.06403	1.2
137.06032	1.2
139.03920	4.4
139.04939	0.9
142.08629	3.0
147.04494	1.0
150.99152	0.9
151.03937	5.2
152.07060	1.0
155.03319	1.2
165.07397	1.2
167.86674	1.0
179.03412	1.2
183.10223	0.9
185.09251	1.0
243.12263	1.1
259.06210	1.3
268.12067	0.9
281.01703	0.9
287.05496	1.9
304.13965	2.6
305.06366	1.2
310.66629	1.1
314.34708	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95886	1.2
53.03947	2.2
55.01869	3.3
55.05505	1.8
55.73598	1.1
56.24313	1.3
56.96286	1.6
56.96564	5.1
57.03437	5.5
58.02975	1.2
58.06608	2.2
58.28343	1.1
60.04523	9.3
61.02925	4.0
67.05496	2.0
69.03437	16.1
69.07072	38.3
70.06593	2.9
70.87459	1.7
70.87787	2.8
71.04977	2.0
71.08637	18.2
72.00011	1.2
72.08157	2.3
73.02916	3.0
79.05481	3.0
81.03432	9.0
81.05809	1.5
84.04510	6.2
84.08129	1.7
85.02912	77.5
86.02436	7.1
86.06075	11.0
86.09713	2.4
87.04465	1.8
91.03960	1.3
91.05477	1.6
93.07035	1.5
96.08145	9.1
97.02900	42.2
97.06542	7.4
98.06072	1.7
98.97592	13.9
99.04448	2.7
103.03951	4.9
105.07004	1.8
109.02908	15.0
110.07178	1.7
111.04411	1.6
114.09174	17.6
116.98626	5.7
119.08614	1.5
120.08097	1.7
121.02869	1.7
123.04452	13.7
124.07603	18.3
127.03940	16.3
130.06493	1.6
131.00145	2.6
135.04434	1.4
137.02228	1.3
138.09166	4.2
139.03926	6.8
142.08643	100.0
145.04987	6.1
145.09631	1.7
147.04366	1.5
149.02364	8.1
151.03917	5.5
153.01842	15.0
155.03442	2.0
156.10173	1.8
171.02968	1.7
173.01234	4.1
180.10109	1.5
184.09705	77.9
185.05911	2.4
185.09195	1.4
191.02260	3.0
203.03517	1.6
208.09657	15.8
213.05484	2.5
214.08612	3.0
220.09833	1.3
222.11249	1.7
231.06532	8.1
238.10803	1.8
245.15019	3.0
250.10764	12.2
259.06094	10.1
263.00726	2.8
277.07376	1.5
281.01993	4.2
286.13177	2.2
287.05515	3.9
304.11578	2.9
305.06583	2.6
305.15637	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.9921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52754	1.1
57.10989	0.9
59.33084	1.2
70.38914	4.3
98.20845	1.6
98.21402	1.9
98.97596	2.2
101.00928	1.4
104.41525	1.0
105.70396	1.0
112.89614	20.9
114.89310	2.8
119.01900	4.0
157.03461	2.1
161.02922	2.6
168.75832	1.0
172.04568	1.4
174.97639	3.5
177.01015	1.6
192.98705	1.8
196.95476	4.4
202.94470	1.9
213.98798	2.9
214.96533	29.6
215.96619	1.5
219.02020	7.3
220.02071	2.2
220.95493	1.3
221.01898	1.2
222.12839	1.1
231.99779	5.5
238.96590	6.2
243.99753	1.8
245.05132	1.2
250.00769	5.3
253.09459	1.5
256.97607	100.0
257.97720	6.0
262.00909	12.9
262.03360	1.2
262.96454	1.8
263.06189	3.1
279.99167	2.2
280.01862	6.7
280.97495	8.0
281.07257	11.2
282.21844	1.1
298.98669	82.9
299.98734	2.7
304.01511	1.9
304.04382	3.1
322.00186	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.9821
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04972	0.5
66.69740	0.4
67.75541	0.5
70.07417	1.9
98.21362	0.5
101.00867	2.7
103.00607	0.7
114.05493	1.5
117.62373	0.4
119.01930	3.9
134.08617	0.5
137.02957	0.7
140.98790	1.2
142.03488	0.8
158.99924	2.5
160.04660	0.5
177.00975	15.5
178.01012	1.5
178.47565	0.5
178.94356	1.2
181.03496	1.6
182.99887	1.7
185.09236	3.7
186.98196	0.8
196.95544	4.0
197.95369	0.5
198.49057	0.7
199.04488	1.4
201.00929	7.8
201.02579	0.8
202.01012	0.8
202.94472	1.5
205.95596	0.6
207.45808	0.6
207.98752	0.8
214.96559	30.1
215.96793	1.3
216.96863	0.6
219.02023	100.0
220.02170	3.9
220.95377	1.2
226.95840	1.5
227.45894	0.5
229.46419	1.6
238.96605	6.9
239.95737	1.7
240.95166	0.6
242.03632	3.5
256.97623	94.0
257.97079	7.0
258.96866	1.0
259.42761	0.5
261.03046	0.7
262.03217	5.4
262.96591	0.8
270.98923	0.8
274.97855	1.7
275.98026	0.6
278.12488	1.0
278.44821	1.1
279.98871	2.0
280.97620	6.1
281.97824	0.6
286.14017	1.2
289.95917	0.7
298.98605	73.0
299.98666	1.3
322.00305	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	2.6
57.03453	0.7
68.05038	0.6
69.01546	0.8
69.03434	1.7
69.17353	1.6
69.17754	7.0
69.20615	0.6
70.06605	2.8
74.64060	0.7
84.04501	4.5
84.08157	3.2
85.02924	2.6
86.06089	1.5
86.09719	3.0
96.85727	0.7
97.02929	1.5
98.21455	1.6
98.97608	3.1
101.00923	1.8
104.07109	3.4
107.04993	0.7
108.08182	1.5
110.07233	1.4
112.02287	1.1
114.05537	0.7
116.98653	1.5
119.01944	2.6
122.06097	1.3
123.04434	1.5
124.07655	1.2
126.09177	6.0
129.10269	1.3
130.05042	1.0
131.01939	2.5
135.04456	0.9
136.07593	1.0
137.05952	1.4
139.03951	1.5
140.03479	1.4
140.07080	0.8
141.03952	0.8
141.04128	1.0
141.05270	6.4
142.05046	5.0
143.03130	0.7
145.03566	1.1
147.04391	1.6
151.03946	2.8
152.07109	1.3
154.08650	10.6
155.01921	1.7
156.06552	1.0
158.02675	0.7
158.99736	0.9
161.02893	1.0
163.03961	2.6
164.07109	1.0
170.08162	5.2
174.07771	1.3
177.06027	1.1
182.08185	1.1
185.04207	5.2
196.09810	1.1
198.07632	3.3
200.09351	2.3
201.06087	5.5
203.05289	10.1
206.08464	0.9
213.06204	2.3
214.05472	1.4
216.08664	5.9
219.01929	1.2
219.07188	1.2
221.05115	1.3
225.06073	0.7
231.03024	1.5
231.07202	1.1
234.47498	0.8
237.02895	1.5
243.07114	1.3
257.15100	1.1
267.11377	1.6
285.12408	2.4
303.04916	2.6
303.10574	100.0
304.10944	1.0
321.10498	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	303.123
Annotation	Odoratol
Peak:m/z	Relative Intensity
53.03946	0.6
54.06746	0.2
56.05022	0.3
56.96560	0.2
63.00381	0.2
67.05510	0.3
69.07046	0.2
74.06089	0.9
74.08662	0.2
78.04732	0.7
82.81138	0.1
88.07639	1.6
89.07973	0.3
91.05491	2.3
93.07040	0.4
95.04977	0.7
95.08588	0.2
105.04530	0.2
106.04195	0.4
107.08533	0.2
116.07154	0.1
121.06517	100.0
122.06824	0.7
137.90804	0.2
145.32526	0.2
183.11690	0.2
243.25154	0.5
278.67715	0.1
303.05075	0.6
303.12265	0.6
303.16006	0.2
303.19595	0.5
303.27219	2.8
303.30658	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
56.96579	3.3
56.98786	0.7
64.58376	0.6
67.05511	1.0
69.03436	2.2
69.07058	1.1
70.06584	2.2
71.54640	0.8
71.55042	0.8
72.08161	0.7
77.30968	0.7
81.03413	0.7
81.07055	0.6
84.04519	4.1
84.08145	2.5
84.96033	0.7
85.02922	3.2
86.06092	1.4
86.09732	2.7
87.25968	0.6
96.04519	1.3
97.02909	2.6
98.97598	3.5
99.04501	0.9
101.00877	1.2
104.07098	3.9
107.04966	1.4
110.06061	1.5
110.07179	1.4
112.02253	1.5
113.00866	1.2
116.98654	2.0
119.01954	3.5
119.04957	0.8
120.83347	0.7
122.06028	0.9
123.04476	2.2
123.34164	0.7
124.03956	0.7
124.07579	1.0
126.09157	4.7
127.03946	2.1
128.98654	0.8
129.10266	1.7
131.01933	3.3
136.07626	1.1
139.03969	2.1
140.01688	2.0
140.03455	0.9
140.07121	0.9
141.04131	1.0
141.05304	7.1
141.09125	0.8
142.05013	6.3
147.04446	1.3
147.65800	0.6
151.03958	2.6
152.07170	0.9
153.07440	1.0
154.08647	9.5
155.01904	0.9
156.02811	0.8
156.06595	1.1
159.05061	0.9
161.03038	1.1
163.03867	1.5
170.08127	4.1
174.07672	1.0
177.00732	1.0
177.06177	1.2
182.08224	1.1
185.04129	5.2
186.02251	2.2
196.09819	1.0
198.07658	3.5
200.09282	2.0
201.06064	4.7
203.05325	11.1
206.08540	0.9
213.06158	2.3
214.05365	1.6
216.08696	4.9
219.07036	1.2
220.65666	0.7
220.71634	0.8
231.03069	1.0
237.02946	1.2
243.07086	1.7
257.15225	1.1
267.11362	1.5
285.05548	1.6
285.09094	0.7
285.12442	2.3
303.04938	2.8
303.10583	100.0
303.15891	2.7
321.10342	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	303.0865
Annotation	2,6,3'-Trihydroxy-4'-methoxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
52.43594	0.7
53.03949	2.2
55.01870	1.7
55.05511	1.9
56.96573	0.9
65.03954	1.4
65.68745	0.7
67.05518	4.2
67.93662	0.7
68.99799	1.8
69.03443	1.4
69.07077	1.5
69.28912	7.2
70.06576	0.8
79.05502	2.7
81.03423	9.2
81.07067	7.0
83.04958	1.0
84.50063	0.8
89.03893	0.8
91.05507	3.4
93.03407	1.2
93.07063	4.8
94.04239	1.7
95.04970	13.3
95.08604	5.3
96.02155	1.4
97.06523	0.8
97.10210	1.1
98.21448	1.4
98.97603	1.8
103.05466	0.8
105.03406	3.6
105.07043	4.3
107.04980	2.5
107.08569	4.0
109.02895	1.1
109.06557	2.1
109.10175	2.6
110.06049	0.9
111.00842	0.9
111.04458	1.7
115.05458	0.8
117.06995	1.6
119.08606	2.9
121.02908	0.9
121.06544	2.1
121.10158	3.2
122.03680	4.9
122.06036	2.0
123.04441	7.6
123.08070	1.0
123.11705	0.9
124.07588	2.7
125.06001	1.2
125.09668	0.9
126.09116	1.5
127.03953	1.3
133.02875	5.2
133.10136	2.8
134.03664	1.1
135.11716	1.9
137.02351	100.0
137.05986	59.6
137.09610	1.0
141.07031	2.8
145.10164	2.2
147.11690	2.5
149.05984	1.8
149.13309	1.3
151.03925	8.5
151.07574	1.3
153.01862	3.7
153.06944	0.9
157.10162	0.9
159.11781	1.5
161.02328	10.0
161.03387	0.9
163.11211	1.0
165.01894	0.9
165.05569	1.9
165.07066	2.1
167.07101	0.8
168.05754	5.6
169.06505	5.4
178.04977	5.5
179.03433	23.0
181.06638	0.8
183.02881	0.9
183.08121	1.7
187.07547	1.1
193.05006	3.2
196.05241	7.1
197.05994	17.7
199.14919	1.2
201.05655	1.2
208.07227	0.8
211.07622	1.7
213.05487	2.4
214.06294	3.1
225.05487	23.3
226.06123	1.3
229.04951	3.6
229.08617	49.7
242.05699	1.0
243.06500	1.2
243.11409	1.2
253.05093	1.7
256.07532	1.5
257.08112	36.4
257.12408	1.5
271.09717	1.9
285.07559	13.0
285.12439	2.9
285.22220	1.7
288.05338	1.4
303.05029	31.4
303.08572	7.8
303.13406	4.6
303.23196	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0865
Annotation	5,7,8-Trihydroxy-4'-methoxyflavanone
Peak:m/z	Relative Intensity
50.97969	0.2
55.01880	0.4
57.03432	0.8
68.99783	1.3
69.27168	0.5
69.27573	1.4
71.01355	1.2
79.05486	1.5
85.02913	2.5
91.05480	0.5
92.59235	0.3
94.04210	0.4
95.01337	3.0
103.05489	1.7
105.07028	1.2
109.06529	1.1
113.02377	2.5
118.04156	2.1
121.06513	4.4
123.00800	5.3
133.06505	16.1
135.04453	0.4
135.08066	1.1
137.05971	2.2
141.01854	1.5
149.02390	0.4
151.00272	1.4
161.05995	36.9
167.03351	0.3
169.01337	100.0
170.01665	0.5
176.23900	0.2
183.11696	0.3
187.02411	3.7
195.02995	0.5
203.07024	1.2
211.07523	0.3
215.06902	0.3
221.36496	0.2
229.08766	0.5
235.70587	0.3
239.07153	0.5
239.49594	0.2
261.07462	0.3
285.07632	0.3
303.08655	61.6
304.09015	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0502
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01859	0.5
55.05495	0.5
55.48824	0.2
56.78436	0.2
57.59097	0.2
65.03934	1.0
66.18587	0.2
67.01867	0.5
67.05510	1.2
68.99797	1.9
69.03427	0.6
69.07050	0.9
69.62531	1.3
74.37897	0.2
77.56945	0.2
79.05479	0.7
81.03395	0.8
81.07066	1.7
91.05483	0.9
93.03408	0.7
93.07059	1.3
95.04998	1.6
95.08595	1.1
97.06557	0.4
103.05461	0.5
105.07027	1.7
107.04939	0.4
107.08591	1.3
109.02884	1.1
109.06525	0.5
109.10183	1.1
111.00817	2.0
111.04407	0.3
111.08087	0.3
117.07035	0.4
119.08604	1.2
120.08120	0.4
121.02885	2.2
121.10144	0.8
123.04456	0.8
123.08092	0.2
125.09650	0.3
127.03945	0.3
129.07019	0.4
131.04933	0.4
131.08617	0.4
132.56647	0.2
133.10132	0.9
135.04370	0.5
135.11676	0.5
137.02357	7.6
137.03395	0.5
137.05998	0.5
137.09671	0.3
138.05508	1.0
138.09152	0.3
145.06497	0.9
145.10185	0.6
147.04413	0.4
147.11697	1.0
149.02301	1.2
149.05977	0.3
151.07562	0.4
153.01842	12.1
155.04930	0.9
157.06525	0.4
157.10126	0.4
159.04396	0.5
159.11691	0.7
161.05997	0.8
161.13281	0.7
163.03961	1.5
165.01862	4.3
166.02547	0.3
166.05043	1.1
173.05965	1.5
173.13268	0.3
175.11238	0.3
178.05026	0.4
179.03415	0.5
183.02885	1.5
183.04420	1.2
187.03993	1.1
187.14833	0.5
191.03380	0.4
195.02928	0.4
198.09117	0.3
201.05487	5.1
205.05043	0.4
207.02905	0.4
211.03973	0.4
212.10674	0.4
213.05551	0.3
215.11890	0.3
219.02989	0.4
219.06590	0.4
228.04173	0.9
229.04996	10.5
239.03395	0.5
239.11743	0.6
243.11404	1.4
245.04478	0.6
247.05954	1.5
257.04483	6.3
257.12875	0.9
258.05014	0.3
259.06137	0.8
267.11420	0.3
271.09760	0.5
272.11505	0.5
274.04755	1.1
275.05548	1.4
285.04031	3.1
285.12332	3.9
285.21948	0.4
303.05020	100.0
303.12964	4.9
303.22955	1.3
304.05444	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03928	0.2
55.01856	0.4
57.03997	0.1
65.03934	0.7
67.01854	0.3
67.05497	0.5
68.99493	0.2
68.99798	2.1
69.03402	0.3
70.17018	0.4
70.17431	0.3
81.03425	0.9
81.07049	0.2
82.15136	0.2
85.02887	0.2
91.05479	0.3
93.03407	0.6
95.04977	0.9
97.02895	0.3
98.21377	0.2
98.97610	0.3
103.05434	0.3
105.03401	0.3
105.07020	0.3
107.04955	0.2
109.02866	1.2
110.03706	0.3
111.00819	2.2
111.04434	0.2
115.05443	0.2
117.07004	0.4
118.06557	0.2
119.04837	0.1
121.02866	2.1
122.06071	0.1
123.04448	0.8
127.03934	0.5
129.07022	0.2
131.04938	0.6
132.08121	0.2
133.06439	0.2
135.04414	0.5
136.07712	0.1
137.02350	8.2
137.03397	0.5
137.05948	0.2
145.02827	0.2
145.06519	1.0
146.06021	0.3
148.83386	0.2
149.02353	0.8
153.01837	10.4
155.04968	1.0
155.06029	0.2
157.06523	0.2
159.04445	0.3
160.19920	0.2
161.06007	0.8
163.03908	1.3
165.01830	4.4
165.06947	0.1
166.02620	0.4
167.03368	0.2
173.06006	1.5
177.05432	0.3
179.03427	0.5
183.02878	1.5
183.04439	1.1
187.03871	0.9
188.07137	0.3
191.01823	0.2
191.03500	0.5
195.02893	0.5
201.05478	4.6
205.04973	0.5
207.02931	0.3
211.03920	0.3
213.05428	0.2
219.02914	0.2
219.06503	0.6
227.10748	0.2
228.04198	0.8
229.04974	9.7
230.05312	0.2
232.03716	0.3
233.04520	0.2
239.03325	0.5
247.06082	1.3
257.04465	5.6
258.05002	0.2
259.14777	0.2
274.04739	1.1
275.05414	0.2
285.03979	2.4
285.12271	0.2
303.05002	100.0
304.05338	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.2
55.01868	0.4
55.05507	0.3
55.47338	0.2
56.96560	0.2
65.03928	0.7
66.58282	0.2
67.01853	0.3
67.05492	0.7
68.99793	2.3
69.03428	0.2
69.66320	0.9
71.01363	0.2
79.05482	0.3
79.09106	0.2
81.03411	0.7
81.07038	0.5
82.97012	0.2
85.02905	0.2
85.06563	0.2
91.05470	0.3
93.03423	0.9
93.07050	0.4
95.04967	1.2
95.08592	0.4
97.02895	0.5
97.30895	0.2
98.20790	0.4
98.97574	0.4
105.03458	0.2
105.07047	0.5
107.04951	0.9
107.08574	0.3
109.02917	1.4
110.97552	0.2
111.00813	1.9
111.04421	0.2
115.05461	0.2
117.07008	0.3
118.06537	0.2
119.04939	0.2
119.08595	0.3
121.02856	2.1
121.06481	0.2
121.10131	0.3
122.06019	0.6
123.04451	1.0
127.03910	0.5
129.06999	0.3
130.06506	0.4
130.08669	0.3
131.04935	0.4
131.08536	0.2
132.08125	0.2
133.02852	0.3
135.04395	0.4
136.07585	0.4
137.02354	7.5
137.03403	0.6
137.05946	0.7
137.11349	0.2
138.09224	0.2
143.04919	0.2
145.02913	0.2
145.06473	0.7
146.06018	1.1
147.04391	0.2
147.11717	0.3
148.03922	0.2
149.02342	1.0
151.03929	0.4
153.01834	10.1
155.04907	0.8
155.06026	0.4
157.06487	0.3
157.10101	0.2
159.04475	0.2
161.06009	0.8
163.03941	1.7
165.01837	3.7
166.02615	0.4
171.03026	0.2
173.05972	1.3
177.05458	0.4
179.03392	0.3
183.02895	1.6
183.04445	0.9
187.03944	0.9
188.07057	1.0
191.03381	0.5
191.07025	0.2
195.02946	0.5
201.05472	4.3
205.05031	0.5
207.02803	0.2
211.03995	0.4
212.10693	0.2
213.05556	0.3
215.03357	0.3
219.03000	0.4
219.06541	0.7
228.04205	0.6
229.04967	9.5
229.13353	0.4
239.03410	0.4
242.11757	0.6
243.11305	0.2
247.06024	1.4
257.04459	5.6
257.08228	0.4
257.12881	0.9
259.14474	0.7
260.13278	0.2
267.66000	0.2
269.04205	0.2
272.06412	0.2
274.04773	1.4
275.05411	0.5
285.03952	2.0
285.07278	0.3
285.12271	0.5
303.04999	100.0
304.05313	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0503
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03922	0.2
55.01868	0.5
55.05509	0.6
56.36343	0.2
56.96556	0.5
57.03437	0.2
65.03942	0.7
67.01879	0.5
67.05518	1.1
68.99784	2.2
69.03424	0.7
69.07074	0.5
69.36278	0.6
69.36704	1.0
72.88661	0.2
79.05482	0.8
81.03408	0.8
81.07069	1.9
83.04986	0.3
85.06581	0.3
90.68329	0.2
91.05487	0.9
93.03400	0.7
93.07055	1.2
95.04977	1.5
95.08629	1.0
97.02889	0.4
97.06544	0.3
98.97594	1.2
103.05435	0.2
105.03460	0.3
105.07052	1.3
107.04966	0.4
107.08588	1.0
109.02895	1.5
109.06499	0.3
109.10159	0.5
110.97554	0.3
111.00835	2.1
111.04456	0.3
113.19467	0.2
115.05470	0.3
116.98608	0.4
117.07044	0.5
119.04931	0.2
119.08556	1.0
121.02876	2.2
121.06558	0.3
121.10144	0.8
123.04430	0.9
123.08068	0.2
123.11742	0.2
127.03999	0.5
128.98610	0.4
129.07007	0.4
131.04936	0.8
131.08623	0.3
133.02849	0.3
133.06506	0.2
133.10107	0.9
135.04343	0.9
135.08075	0.2
135.11691	0.3
137.02359	8.1
137.03400	0.6
137.05962	0.9
145.02872	0.2
145.06485	0.7
145.10117	0.5
146.05956	0.3
147.11702	1.6
149.02359	0.9
149.05994	0.3
149.13240	0.3
151.03912	0.4
151.07565	0.6
153.01833	10.1
153.05431	0.4
153.06953	0.3
155.04990	1.0
155.06058	0.3
157.10179	0.4
159.04472	0.2
159.11743	0.4
161.05978	0.7
161.13307	0.2
163.03941	1.5
163.07541	0.3
165.01866	4.0
165.07057	0.5
165.12781	0.2
166.02641	0.5
167.07138	0.3
168.05659	0.3
170.79533	0.2
171.11726	0.2
173.05988	1.6
175.11246	0.4
177.01889	0.2
177.05424	0.3
179.03418	0.5
183.02888	1.2
183.04433	1.0
183.08096	0.8
184.65732	0.2
185.05914	0.3
187.03998	0.9
191.03477	0.3
195.02924	0.4
196.05106	0.2
197.05983	0.4
197.13188	0.2
199.14842	0.3
201.05479	4.4
201.07211	0.4
205.04976	0.6
211.03931	0.4
211.07578	0.5
213.05383	0.3
215.03406	0.2
219.01671	0.3
219.06544	0.5
225.05400	0.2
228.04121	0.5
229.04984	10.0
229.14352	0.4
237.02805	0.4
239.03406	0.3
239.06947	0.2
243.11522	0.4
245.04668	0.3
247.06152	1.0
257.04471	5.1
271.09686	0.8
274.04660	1.3
275.05484	0.5
285.03976	2.3
285.07190	0.4
285.12198	0.3
285.22272	0.3
288.05457	0.3
303.05014	100.0
303.23032	1.4
304.05350	1.5
321.12631	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
62.97536	0.4
69.71119	2.0
98.21233	1.1
98.97590	3.0
101.00883	2.1
116.98621	1.5
119.01934	5.4
133.97029	0.3
134.99744	0.9
137.02968	0.9
140.98860	0.8
155.67801	0.4
158.90605	0.3
158.99881	1.6
163.91469	0.4
177.00975	11.4
178.01057	1.1
179.00755	1.7
182.99939	1.0
201.00905	1.9
216.98862	0.4
217.04059	2.3
218.04066	0.5
219.02025	21.0
220.02158	2.4
221.01775	3.6
225.00816	2.2
236.99625	0.6
238.95740	0.4
243.02007	9.7
243.04294	0.7
244.02214	1.4
256.96838	0.8
259.00058	1.0
261.03085	100.0
262.00439	0.8
262.03229	8.1
263.02939	1.1
275.04605	0.6
277.01163	0.8
279.00604	2.1
280.00955	0.6
283.00024	3.1
284.04663	1.2
284.99817	5.6
285.04803	0.5
285.99741	0.4
301.01044	3.7
303.00891	6.3
303.04642	1.7
320.97446	1.1
321.01572	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.6
56.05016	2.3
56.96568	9.9
57.03439	3.6
61.02922	3.3
65.03928	4.5
67.03181	1.7
67.05505	40.8
69.03434	19.6
69.07066	19.4
69.50885	2.2
70.02958	1.8
70.06595	7.0
71.55109	2.1
72.08154	8.4
74.01046	2.1
78.01188	1.7
81.03417	6.8
81.07059	2.8
84.04511	4.2
84.08167	10.1
85.02908	49.5
86.09711	9.4
91.05476	2.6
94.06575	7.1
95.04974	53.1
97.02895	40.6
98.97592	6.0
103.03944	3.5
108.63887	2.0
109.02873	10.4
112.07608	34.4
113.06013	6.5
116.98638	2.9
119.04935	2.7
122.06057	17.7
124.07584	4.4
127.03925	7.4
128.10736	2.1
130.06520	2.4
131.04887	2.9
134.06023	4.3
136.07565	4.0
137.05975	18.3
137.33611	2.1
140.07072	100.0
145.05023	2.6
147.04370	2.0
147.11311	2.2
151.03886	2.6
152.07097	7.8
154.08658	9.6
163.07576	3.2
164.07086	2.9
167.01666	10.2
178.08630	3.3
180.99545	48.1
182.08144	59.0
185.03835	5.0
197.01247	3.3
201.17558	2.6
206.08182	10.3
213.02200	8.9
227.11546	2.3
229.87784	2.1
230.22679	2.2
248.09158	9.3
253.07893	2.5
273.09067	2.7
285.04416	5.8
287.05145	2.7
297.06461	4.7
302.07657	12.2
302.12717	12.4
303.05145	2.7
303.13931	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	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51029	0.4
55.05516	0.5
56.96572	3.5
57.03429	0.8
61.02923	1.0
67.05509	0.5
68.05009	0.5
69.03436	1.5
69.07063	0.5
69.69225	2.4
70.06599	18.8
72.08135	0.5
73.02907	0.4
79.05494	0.9
80.05029	0.5
81.03442	2.3
81.05791	0.9
84.04500	1.0
84.08145	1.6
85.02911	2.7
86.09707	1.0
91.05504	0.6
94.06574	14.8
95.07350	4.0
95.59769	0.4
96.08132	3.5
97.02882	1.2
98.06057	0.8
98.97589	1.6
103.03946	0.8
106.02903	0.6
107.04953	1.0
112.07650	1.0
116.98652	0.5
120.08058	0.5
122.06055	8.0
124.03961	10.5
124.07578	1.2
134.06021	1.8
136.93146	1.5
137.05992	1.3
138.05510	10.2
138.09116	2.7
139.05901	0.5
140.03447	9.3
140.07072	100.0
145.04929	0.5
152.07085	4.4
154.05006	1.5
154.08615	0.5
154.94174	2.5
164.07086	1.2
168.10225	1.0
172.95300	3.2
185.03862	0.9
190.29720	0.5
190.96298	1.1
222.04492	1.1
239.06985	0.7
240.05421	0.9
256.98907	0.4
258.13431	1.4
273.09033	2.3
274.99435	0.4
285.09271	0.5
297.06326	0.7
302.00937	2.8
302.08441	1.3
302.12271	11.1
320.01584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82385	3.1
53.03950	4.8
55.01871	3.5
55.05519	3.4
56.05043	3.4
56.96571	10.1
57.03435	5.5
60.81345	3.0
61.02910	9.7
67.05505	10.1
69.03451	16.0
69.07059	4.0
70.06596	10.9
71.04987	4.4
71.05885	4.1
71.06216	3.8
72.08160	42.7
76.43922	2.7
79.05489	9.9
81.03412	9.4
81.07061	8.4
84.08143	11.7
85.02909	95.0
86.09711	21.7
88.04021	3.1
90.22952	3.1
91.05492	29.9
95.04986	6.0
97.02901	44.5
98.97593	13.3
103.03913	5.5
107.04944	3.8
108.08121	14.2
109.02888	12.4
116.98621	5.0
122.06039	9.0
123.04469	4.8
125.05987	5.0
126.05547	7.4
126.09081	3.3
127.03920	16.3
128.98669	2.9
129.10272	6.5
130.06567	8.7
132.10190	3.0
136.00143	3.4
136.07614	20.5
140.07066	52.1
140.08076	3.8
143.11816	19.1
145.04959	6.9
150.09103	3.8
152.07068	18.3
154.08600	9.8
157.13326	3.7
163.04005	4.6
164.07106	24.5
167.07074	5.7
171.11334	8.2
178.08693	19.3
182.08139	100.0
203.13947	5.1
206.08142	38.2
218.08118	6.1
219.01761	6.4
248.09190	11.8
276.30188	3.5
287.04791	4.4
302.07364	7.5
302.10330	4.8
302.14703	4.2
303.04980	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	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
56.96560	5.3
57.03423	3.5
61.02920	2.8
64.86155	1.2
65.03931	3.5
65.10274	1.1
67.05510	35.8
69.03085	1.7
69.03432	20.5
69.06723	2.2
69.07072	30.9
70.02974	1.6
70.06599	3.9
71.04972	1.6
71.12621	3.6
72.08160	6.8
73.02923	1.3
76.81368	1.2
81.03422	6.8
81.07062	1.5
84.04525	1.8
84.08128	6.6
85.02913	47.8
86.09721	6.9
94.06558	5.0
95.04974	54.3
97.02901	37.2
98.97603	3.1
99.04461	2.2
103.03939	3.5
107.08578	1.2
109.02881	10.2
112.07609	32.3
113.05986	3.1
119.04942	1.4
122.06039	11.5
123.04438	3.2
124.07585	3.9
125.70816	1.3
127.03951	8.7
130.08607	2.0
130.59305	1.2
134.06032	2.3
136.07588	3.2
137.06009	5.9
139.02126	2.2
139.03967	1.3
140.07077	100.0
145.04977	4.3
152.07059	5.1
154.08638	6.4
156.02660	1.8
164.07101	3.5
167.01631	18.3
167.03479	2.6
178.08609	4.5
179.48703	1.3
182.08144	67.2
185.03807	4.1
206.08116	12.9
213.02206	5.9
218.08043	1.9
223.24911	1.2
236.09280	1.7
239.02084	3.1
243.10068	2.1
248.09241	10.1
256.10983	2.3
272.10263	5.9
279.01718	1.6
279.05173	1.4
285.04153	3.3
287.05078	2.1
302.08093	9.8
302.13095	14.6
303.04898	1.8
303.13898	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	302.0872
Annotation	4-Nitrophenol-alpha-D-galactopyranoside
Peak:m/z	Relative Intensity
52.96321	0.3
53.03945	0.4
55.01859	0.9
56.96571	3.3
57.03424	1.0
59.04985	0.3
61.02934	1.6
62.46820	0.3
65.10937	0.3
67.05485	0.4
69.03439	3.3
70.06596	2.3
71.01379	0.3
71.04977	0.5
71.54800	0.3
72.08141	0.5
73.02908	0.8
75.25162	0.3
78.03452	0.9
81.03417	2.0
81.04556	0.7
84.04507	0.4
84.08139	1.2
85.02911	10.3
86.06032	0.3
86.09707	0.7
87.04459	0.8
91.03965	0.3
94.06623	0.3
95.04960	0.3
97.02908	3.0
98.97594	2.7
99.04451	1.2
105.07018	0.3
109.02862	1.9
110.07176	0.4
110.97574	0.6
111.04459	0.6
116.07127	0.3
116.98611	1.0
119.01914	0.5
119.04982	0.4
122.02379	4.0
122.06038	3.6
122.07020	0.5
124.03956	0.6
124.07610	0.4
127.03899	1.5
127.08654	0.5
128.98645	0.5
129.10222	0.4
131.03857	0.3
134.03775	0.3
134.06027	3.3
135.04379	0.4
136.07599	1.0
137.05988	0.4
139.03931	0.9
140.03435	100.0
140.07066	4.1
140.08206	1.9
141.03770	0.8
145.04990	1.5
147.04454	0.5
149.04897	0.4
152.07076	5.3
152.08266	0.5
155.08171	0.4
158.99716	0.5
161.02884	0.3
164.07097	1.3
173.01263	0.3
173.06801	0.3
174.04387	0.4
177.00734	0.5
181.05022	0.6
181.09743	0.6
185.03807	1.0
186.04422	0.6
186.05879	0.4
188.07726	0.5
189.00835	0.4
195.02808	0.4
197.01212	0.6
197.06696	0.3
199.98753	0.9
201.00771	0.4
204.05490	0.4
207.33948	0.3
219.01816	0.6
237.02875	0.5
239.02232	0.4
253.07411	0.7
256.07516	0.9
261.08182	0.5
269.05325	0.4
271.08545	0.8
273.09079	2.5
279.05453	0.4
285.09048	0.6
297.06577	1.5
302.08575	1.8
302.12234	2.4
309.08682	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26239	2.9
53.03939	9.8
55.01876	25.1
55.05509	18.7
57.03443	40.3
59.95830	3.2
65.03942	5.6
67.05176	5.8
67.05512	81.5
69.03436	3.3
69.07065	12.4
70.83093	5.4
70.83473	5.8
71.04984	8.3
79.05502	80.7
81.03419	9.6
81.06593	4.6
81.07064	66.0
83.04987	36.3
83.08619	7.3
85.02911	6.8
85.06533	8.9
91.05491	46.8
93.07050	80.5
95.04993	26.4
95.08622	23.8
97.06533	26.2
98.97600	4.4
99.04497	6.3
99.08103	3.2
101.02387	3.7
105.07050	18.7
107.04962	69.4
107.08610	36.2
109.06519	7.9
109.10176	11.8
111.04457	47.0
111.08102	12.2
113.06041	3.3
115.05400	4.3
116.98624	3.4
117.07027	27.3
119.08585	21.6
121.06518	9.6
121.10151	65.7
123.08061	5.7
125.06023	5.8
129.07059	6.5
130.07826	4.1
131.05005	6.7
131.08557	17.7
134.03658	3.8
135.11710	62.0
137.05992	18.8
143.08563	4.1
145.06493	9.4
145.10138	60.9
147.08089	4.9
147.11644	3.0
149.09647	14.7
153.01836	13.1
153.12759	18.9
155.08585	18.0
163.11198	100.0
173.09644	46.1
181.12256	43.5
191.10695	44.7
195.06525	3.3
209.11758	20.2
213.05408	3.2
226.06406	3.8
227.12766	18.1
229.04988	10.6
230.05579	5.3
241.05061	7.3
243.06544	5.3
258.05212	6.1
265.14526	4.3
269.04501	8.8
271.06036	9.0
273.11249	4.5
283.09711	8.4
283.15448	11.5
284.10190	3.4
285.03998	6.2
286.04694	46.7
301.07098	88.5
301.10764	39.0
301.16440	82.6
317.70297	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	301.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.01875	1.5
55.05516	1.4
56.96530	0.5
57.03441	1.6
57.07053	0.3
65.03941	0.4
65.78638	0.2
67.05505	5.0
68.99788	3.1
69.03417	0.4
69.07069	1.3
71.04961	0.6
71.05323	0.2
71.55182	0.2
73.02884	0.2
79.05495	4.1
81.03421	1.2
81.07059	3.8
83.04552	0.3
83.04987	2.1
83.08617	0.8
84.02084	0.5
85.02879	0.5
85.06500	0.6
85.16631	0.2
86.71867	0.1
89.03877	0.2
91.04987	0.3
91.05484	3.2
93.07049	4.9
95.01312	0.2
95.04985	1.3
95.08611	2.4
97.06541	1.5
97.10129	0.3
98.97568	0.4
99.00792	0.3
99.04413	0.6
101.02370	0.2
103.05416	0.2
105.03384	0.3
105.07035	2.2
105.52769	0.2
107.04960	2.5
107.07969	0.2
107.08596	2.5
109.02848	0.4
109.06480	0.7
109.10172	1.6
111.04457	2.3
111.08023	0.5
112.01578	0.3
115.05425	0.4
117.07023	1.4
118.03391	0.3
118.04162	3.5
119.04997	0.9
119.08588	2.3
121.02869	0.9
121.06525	0.8
121.10158	3.2
123.04395	0.3
123.08045	0.6
123.11671	0.3
125.05977	0.2
125.09597	0.3
127.03898	0.2
128.06177	0.6
129.05490	0.3
129.06964	0.5
131.04893	0.8
131.08588	1.4
132.05690	0.5
133.06483	0.3
133.10121	0.9
134.03658	0.3
135.04411	0.3
135.08006	0.4
135.10849	0.2
135.11702	2.4
137.02339	5.6
137.05951	0.4
137.57440	0.2
139.07491	0.2
140.00014	0.2
140.01047	2.8
143.08533	0.4
145.06509	1.4
145.10120	3.8
147.04440	0.2
147.08025	0.5
147.11670	0.5
149.02350	1.1
149.05980	0.5
149.09608	0.8
152.06087	0.2
153.01819	3.1
153.05405	0.2
153.06996	0.4
153.12801	1.0
155.03389	0.4
155.04922	0.2
155.06073	0.2
155.08485	0.5
156.05699	0.5
157.02884	0.2
157.06447	0.3
157.10100	0.4
159.04382	0.5
159.07951	0.2
159.11671	0.7
160.05185	0.4
161.05917	0.2
161.09680	0.3
163.03860	0.7
163.11174	3.8
165.06956	0.3
168.00545	14.2
169.01340	1.7
170.07231	0.2
171.04448	0.3
171.11635	0.2
173.05998	1.8
173.09618	2.1
174.06779	0.2
175.11208	0.3
177.05510	0.3
181.06462	0.5
181.12234	1.7
184.05190	2.0
185.05994	0.2
185.13242	0.3
186.01598	6.8
187.03738	0.2
187.14879	0.2
188.04626	0.2
189.05453	0.3
191.10663	1.7
191.17914	0.3
195.08005	0.2
198.06755	0.4
199.14706	0.2
200.04654	0.2
201.05423	0.2
201.16357	0.3
203.03397	0.6
205.04930	0.3
209.11850	0.9
211.03935	0.3
212.04692	1.6
213.05508	0.8
213.09122	0.3
217.04887	0.3
226.06342	0.4
227.07065	0.3
227.12665	0.9
229.04955	1.8
229.07472	0.8
230.05673	0.3
231.02864	0.6
237.09120	0.2
240.04161	2.7
241.04945	1.5
241.08569	0.5
245.04701	0.2
245.08153	0.3
247.08551	0.4
255.06552	1.2
255.20915	0.2
257.04446	1.5
257.20966	0.5
258.05240	4.4
265.08633	0.3
268.03790	1.5
268.27109	0.2
269.04318	0.8
273.03970	0.5
273.07471	0.4
283.06244	0.4
283.09668	1.8
283.15417	0.4
285.03955	19.6
286.04718	98.1
287.05048	1.8
301.07071	100.0
301.16434	3.5
301.21378	1.3
302.07385	2.3
318.89331	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.8
55.01865	15.4
55.05516	65.4
56.96578	3.8
57.03438	41.9
59.04988	4.8
59.70219	4.1
67.05510	100.0
69.03419	7.1
69.07073	25.9
71.01364	4.9
71.04994	9.2
71.55032	4.8
79.05499	75.0
81.03416	16.3
81.07066	57.2
83.04993	20.2
83.08609	15.9
85.02898	14.9
85.06554	7.7
87.04461	6.7
91.05485	33.5
93.07059	59.2
95.04960	10.7
95.08614	27.3
97.02889	7.3
97.06514	16.4
97.10176	30.1
105.07011	18.5
107.04981	22.6
107.08602	42.9
109.06525	9.0
109.10161	45.2
111.04457	15.4
111.08118	4.9
117.07021	15.4
119.08581	21.1
121.06493	8.0
121.10167	62.0
123.08050	7.5
125.05933	5.7
125.09631	25.6
129.07016	5.0
131.08533	11.7
133.10078	9.6
135.08064	5.6
135.11694	24.8
139.07654	4.9
139.11163	10.9
145.10132	29.8
147.08035	7.4
147.11699	3.7
149.09546	4.9
153.01823	4.2
153.05565	4.4
153.12749	8.3
161.05991	4.8
161.91216	3.8
163.03929	5.2
163.11205	37.7
173.09619	9.0
173.11775	6.9
179.08597	3.7
181.12195	13.3
185.11740	4.3
191.10680	9.6
199.02376	6.0
199.13243	4.7
209.11755	13.7
227.12793	22.3
245.13821	32.7
257.13892	14.3
258.05325	7.9
286.04813	26.6
301.06985	48.0
301.16678	90.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65981	0.5
55.07677	0.6
56.96555	2.3
69.03442	0.7
70.00271	0.5
70.06580	1.2
71.54643	0.6
71.55034	0.6
72.08161	0.9
75.37193	0.5
84.08139	1.3
85.06535	0.6
86.65540	0.5
91.05471	2.0
98.97600	2.8
107.04971	0.7
116.98613	0.6
119.04935	2.0
123.04433	0.9
135.04384	2.6
137.05992	0.9
139.03923	11.4
139.07376	0.5
139.08691	0.6
147.04434	4.7
148.95184	0.6
153.05457	0.8
155.20912	0.5
163.03873	2.4
171.07715	0.9
174.99141	0.7
185.05704	0.6
193.00253	0.6
206.56003	1.2
237.05505	0.7
241.05045	0.5
255.06569	1.1
283.06033	1.5
286.04736	1.8
301.07013	7.2
301.12570	100.0
302.12991	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78090	0.7
56.96563	2.3
68.99756	1.2
69.03447	0.9
70.06596	11.0
71.06906	0.9
71.54779	1.0
72.93755	0.6
81.07053	0.7
84.04533	1.5
84.08134	1.2
85.02892	0.9
86.09694	3.1
91.05476	4.3
95.04945	1.3
98.97547	0.8
111.04458	1.3
112.07627	4.5
121.06464	0.7
123.04426	2.2
127.03912	0.8
130.04945	1.4
135.04410	4.6
137.05962	2.4
138.05461	0.7
139.03909	25.7
139.07565	0.8
140.07057	3.8
147.04240	0.7
151.03860	2.0
153.01723	0.9
153.05498	1.4
162.05476	0.8
163.03940	4.3
164.99965	1.7
177.05528	0.9
181.06396	0.8
187.03839	0.7
241.04926	1.5
255.01945	0.8
255.06410	1.9
255.11115	1.2
258.05099	1.5
283.05847	3.3
286.04694	5.6
301.07361	17.2
301.12531	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0708
Annotation	5,2'-Dihydroxy-6,7-methylenedioxyflavanone
Peak:m/z	Relative Intensity
51.02385	0.3
53.00313	0.3
55.01885	0.6
55.05505	0.3
57.03456	1.0
67.01873	6.0
67.05505	0.5
68.99796	11.4
69.03446	1.6
69.76170	1.0
69.76445	0.3
79.01860	5.1
79.05507	0.3
81.03417	0.4
81.07088	0.3
83.01350	49.4
84.43621	0.2
85.02890	0.3
87.37284	0.2
91.05471	0.4
93.07076	0.6
95.01328	1.1
95.04997	0.4
97.02914	1.8
98.21484	0.4
103.05432	0.2
107.01337	3.8
107.04964	2.8
121.02894	0.3
121.06522	7.7
125.02381	1.7
135.00775	2.1
143.03433	0.2
147.04488	0.3
150.84604	0.2
153.01839	7.4
163.00288	0.3
171.02838	1.0
179.03372	1.2
181.01334	97.5
182.01706	0.6
190.11760	0.2
194.30467	0.2
195.02924	0.6
199.02393	100.0
200.02768	0.9
207.02924	3.6
207.04726	0.3
221.32356	0.2
222.04079	0.2
254.42316	0.2
259.06036	0.7
286.04779	0.5
301.07086	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	301.1073
Annotation	Gymnogrammene
Peak:m/z	Relative Intensity
52.62728	0.5
53.03966	0.8
55.05523	1.6
56.96563	1.1
58.92400	0.5
61.26257	0.5
65.03961	0.9
67.05518	1.9
68.02673	0.7
68.68279	0.6
68.99777	0.6
69.07075	2.1
69.65983	3.4
77.71166	0.6
79.05495	4.4
81.07054	2.2
83.01361	1.9
83.04996	1.4
90.04686	0.6
91.05506	1.1
93.07073	1.6
95.04952	1.2
95.08617	1.0
97.06598	0.8
98.75848	0.5
98.97604	2.5
103.05496	2.7
105.07055	2.7
106.00555	0.6
107.01333	1.9
107.08566	0.9
109.06510	1.2
109.10204	1.1
111.04449	1.7
116.98637	1.1
117.03342	0.6
118.04163	4.0
119.04911	0.7
119.08568	0.7
121.06521	2.4
121.10161	1.3
124.01595	5.0
133.02841	0.6
133.06505	26.7
133.10135	0.7
134.07286	8.0
135.04408	2.2
137.02382	0.8
137.05981	1.7
139.03963	2.8
145.02881	1.0
147.04515	0.8
149.06023	0.8
151.03938	4.5
152.01062	51.4
153.01855	2.9
153.05493	0.7
161.05995	61.0
165.20906	0.8
167.03419	100.0
169.67804	0.6
170.02122	21.9
171.08194	0.6
177.05475	4.4
178.02698	0.7
181.01331	1.2
193.05011	1.6
194.96603	0.7
199.02486	2.7
203.07074	2.2
212.08217	0.6
223.07518	1.4
229.07561	0.9
240.07799	0.7
241.08728	1.3
243.06461	0.7
255.10100	1.2
255.13885	0.8
256.26413	0.8
257.26682	1.1
258.05328	1.7
265.08597	0.7
265.12207	0.7
267.06644	0.8
269.08173	1.7
271.05981	1.1
283.09647	2.3
283.13275	1.6
286.04712	6.2
286.08301	2.1
301.07114	10.8
301.10696	91.1
301.13974	4.4
301.29309	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0708
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
58.68535	0.2
62.80991	0.2
70.67096	0.6
80.10787	0.2
120.81155	0.3
152.17815	0.2
153.01826	1.4
161.88995	0.2
208.24242	0.2
229.05022	2.9
231.88704	0.3
257.04510	1.2
258.05264	39.2
259.05542	0.7
269.04507	0.3
286.04736	52.2
287.05051	0.7
301.07080	100.0
302.07428	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.071
Annotation	Koparin
Peak:m/z	Relative Intensity
55.01855	0.7
55.05486	1.8
56.09367	0.4
56.96548	0.6
57.03418	0.8
61.65078	0.4
65.03913	1.3
67.01839	0.9
67.05514	3.0
68.99793	4.3
69.07037	1.5
70.55545	0.9
70.55875	0.5
70.68893	0.3
71.04984	0.8
76.61966	0.4
79.05494	2.3
81.03397	1.6
81.07056	4.5
83.04972	0.7
83.08609	0.5
85.02871	0.6
91.05475	2.2
93.07032	2.1
95.04966	2.2
95.08598	2.9
98.97548	1.3
99.04346	0.4
103.05389	0.5
105.03331	1.3
105.07018	2.9
107.04301	0.5
107.04958	7.2
107.08636	2.2
109.06534	1.0
109.10165	2.5
111.04421	1.4
111.08041	0.4
115.05475	2.1
117.06991	0.7
119.04935	0.6
119.08566	1.3
121.02871	10.8
121.06471	0.8
121.10119	1.8
123.04431	7.0
123.11710	0.6
128.06238	1.5
129.07001	3.7
131.08546	1.2
133.02850	1.6
133.10126	1.8
135.04381	1.1
135.08060	0.8
135.11696	0.9
137.02342	12.8
137.05949	2.9
139.03854	1.2
139.05402	1.0
141.06934	0.8
143.04922	1.4
143.08580	0.7
145.06462	1.8
145.10150	2.2
147.04398	1.5
147.07979	0.6
147.11653	1.7
149.02350	31.4
149.09612	0.6
151.03912	6.6
151.05048	0.6
151.11131	0.4
153.01828	1.0
155.04907	0.7
155.06058	0.5
157.05222	0.7
157.06499	10.6
157.10080	0.9
159.04382	0.5
159.11636	1.5
160.05183	1.4
161.02318	2.6
161.05975	2.6
161.09680	0.4
161.13252	0.5
163.03926	6.7
163.11188	1.1
164.04683	6.0
165.05452	0.6
167.01982	0.5
167.03412	10.1
167.04901	1.0
168.05653	0.7
169.06473	1.0
171.04478	3.0
171.08046	0.7
171.11656	0.7
173.05963	1.6
173.13208	0.9
174.06689	1.1
175.03844	0.6
175.07542	1.3
175.11122	0.5
177.05493	0.8
179.03334	1.9
181.06453	1.2
184.05211	10.0
185.05980	17.7
186.06752	0.5
187.03871	2.6
188.04652	1.6
189.05362	0.5
189.09157	0.6
191.14368	0.4
196.05220	0.4
197.05980	1.2
198.06769	0.8
199.03879	2.1
199.07439	0.8
199.14832	0.6
201.05507	3.1
202.06203	2.4
203.03409	0.4
203.07051	6.0
205.04970	0.6
212.04701	10.8
213.05463	26.5
213.16273	0.5
214.06099	0.7
216.04147	1.5
217.05022	0.7
217.08601	0.6
224.04681	0.6
226.06430	0.5
227.07022	4.1
229.04982	7.5
229.07115	0.4
230.05714	4.5
231.06526	14.9
232.06870	0.4
240.04184	1.0
241.04958	43.9
242.05585	1.5
243.06535	0.4
245.08098	100.0
246.08348	1.3
252.04202	1.5
255.06535	5.8
257.04449	5.2
258.05231	5.4
259.05966	1.4
268.03635	0.6
269.04459	7.1
272.06769	10.5
273.07571	38.7
278.76465	0.5
283.06015	1.5
285.03967	0.5
286.04742	7.5
297.23248	0.4
301.07071	98.8
301.21588	3.4
302.07394	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.071
Annotation	Koparin
Peak:m/z	Relative Intensity
55.01875	0.5
55.05510	0.5
56.96560	0.3
59.82747	0.2
64.84273	0.2
67.01865	0.5
68.99795	2.1
69.49584	2.0
71.04983	0.2
73.53237	0.2
79.05500	0.4
81.07100	0.4
83.08675	0.3
89.03899	0.4
91.05477	0.4
93.07045	0.5
97.06534	0.3
98.97584	0.7
100.11288	0.5
102.16452	0.3
105.03407	1.3
107.04954	1.0
111.04440	0.6
111.28906	0.2
113.19003	0.3
115.05433	0.9
116.04675	0.3
117.07027	0.4
121.02827	0.3
121.06525	0.3
123.04430	1.0
124.01587	0.8
128.06210	0.3
129.07016	0.5
131.04922	0.7
134.03639	3.6
135.04408	0.7
137.06033	0.6
137.17183	0.2
139.07556	0.4
145.06496	0.6
147.04422	0.4
147.08064	0.5
149.02393	0.6
151.03891	0.4
152.01082	0.8
152.71492	0.3
153.01836	7.7
157.06505	0.7
160.05212	0.4
161.02333	3.0
161.05998	1.3
163.03944	1.3
167.03419	10.2
170.02161	0.6
171.04440	1.4
174.06792	0.5
175.03864	1.0
175.07564	1.4
182.15419	0.3
184.05232	0.5
185.04539	0.4
185.06036	1.2
187.03906	0.3
188.04662	1.0
189.09018	0.4
199.03923	1.0
201.05510	0.4
202.06238	1.0
203.07059	4.8
205.04982	0.5
212.04753	0.6
213.05518	2.7
216.04216	1.9
217.08655	1.4
219.06673	0.4
219.16357	0.9
227.07042	1.1
229.04980	5.4
230.05777	3.0
231.06540	16.8
233.08060	0.3
240.04160	1.4
241.04974	7.8
241.08626	0.4
245.08089	4.2
255.06610	1.1
257.04593	0.4
258.05200	1.4
259.06021	2.0
268.03690	0.9
269.04468	9.8
273.07574	2.2
283.06055	1.0
285.03970	1.5
286.01514	0.4
286.04745	11.4
301.07083	100.0
302.07443	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0708
Annotation	5,7,2'-Trihydroxy-6'-methoxyflavone
Peak:m/z	Relative Intensity
52.29076	0.3
53.77388	0.3
55.01860	0.7
65.03957	0.5
66.92586	0.3
67.01855	0.8
67.05497	0.3
68.99789	1.7
69.17087	2.8
77.85676	0.3
81.03386	0.3
81.24940	0.3
83.04980	0.3
88.61566	0.3
91.05473	0.5
95.04980	0.6
105.03396	1.9
107.04946	2.0
111.04447	0.8
115.05450	1.2
117.07030	0.4
123.04432	1.3
129.06915	0.3
133.02888	0.3
135.04405	0.7
137.02312	0.5
138.67372	0.3
139.03835	0.3
144.05685	0.5
147.04333	0.4
147.08067	0.9
149.02335	0.5
154.00560	0.3
157.06538	0.5
160.05264	0.3
161.02357	4.0
161.05989	1.6
163.03932	2.4
167.03410	17.7
167.63666	0.3
171.04419	2.6
174.06845	0.5
175.03894	1.7
175.07578	3.2
177.05547	0.4
179.03494	0.4
184.05157	0.5
185.05949	0.6
188.04680	2.0
202.06244	0.6
203.07039	8.9
205.05011	0.4
212.04681	0.3
213.05418	0.7
216.04179	3.2
217.05040	0.6
217.08603	2.0
219.06436	0.5
227.07060	1.6
229.07423	0.4
230.05745	1.1
231.06528	30.1
233.08090	0.8
240.04182	1.3
245.08127	6.2
245.10667	0.3
255.06532	1.4
258.05255	0.4
259.06030	3.2
268.03656	0.6
273.07532	2.1
283.05908	2.1
286.04785	0.5
301.07074	100.0
302.07474	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.071
Annotation	UNII-W4KJT6YJP8
Peak:m/z	Relative Intensity
55.01869	2.7
55.05503	3.8
56.84732	0.9
57.03448	1.2
67.05499	4.4
68.99796	92.2
69.07077	5.5
70.06591	1.2
71.01331	1.2
78.88226	0.9
79.05477	4.9
81.03394	1.1
81.07049	7.4
83.08618	2.2
85.06499	1.2
88.67667	1.0
90.39810	1.0
91.05482	3.9
93.07037	4.4
95.04951	2.3
95.08610	6.9
103.05475	4.1
105.07043	8.3
107.04916	2.9
107.08581	4.7
109.10149	4.8
115.05466	12.5
117.07015	8.7
119.08556	2.8
121.10158	2.9
123.04417	1.8
123.11687	1.8
125.21484	1.0
128.06219	7.1
129.07021	15.5
131.04956	5.6
131.08595	1.5
132.08060	1.5
133.06572	1.3
133.10062	2.5
135.11734	3.0
137.02419	1.5
139.03940	1.4
139.05440	3.1
141.07025	1.7
143.04950	7.1
143.08563	1.2
144.05734	2.7
145.06476	12.8
145.10155	1.9
149.02365	4.3
151.03905	1.5
153.05507	3.9
155.04906	4.3
155.06068	3.7
157.02872	1.8
157.06500	24.7
159.04420	2.6
159.11641	1.5
160.05138	1.6
161.05995	1.7
163.03918	3.5
163.11255	1.3
164.04675	3.0
167.04916	2.1
169.06421	1.7
171.04414	25.2
171.05740	2.0
172.05203	3.0
173.04590	2.2
173.06000	21.8
175.03906	1.7
181.06519	1.9
183.04379	5.2
184.05264	5.6
185.05989	33.6
188.04723	2.5
189.05475	2.3
195.04472	3.5
199.03929	12.6
200.04613	6.3
201.05479	40.4
202.06273	3.3
203.07062	5.6
212.04721	5.7
212.10846	1.1
213.05486	43.6
216.04190	2.0
217.04932	1.6
217.08574	1.4
223.03926	3.9
227.03418	4.6
227.07069	3.1
229.04980	5.6
230.05760	9.8
231.06578	3.2
240.04231	6.2
241.04973	59.0
245.08041	8.6
251.03406	2.4
255.06529	4.0
255.21118	1.9
257.04477	1.6
258.05295	7.0
268.03708	2.5
269.04468	98.4
273.07574	23.7
283.06100	3.2
285.03979	4.8
286.04761	17.3
301.07089	100.0
301.10483	4.4
301.15485	10.6
301.21582	3.3
301.24722	1.2
302.07343	1.4
318.04590	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0706
Annotation	Koparin
Peak:m/z	Relative Intensity
51.15747	0.2
51.94052	0.2
55.01873	0.3
55.05484	0.2
57.03414	0.3
58.50182	0.2
65.03941	0.2
67.05497	0.5
68.99796	0.6
69.07053	0.5
71.01341	0.2
71.04965	0.2
71.15781	0.4
72.15053	0.2
79.05485	0.7
81.03426	0.4
81.07052	0.4
83.04975	0.2
91.05476	0.5
93.07047	0.6
95.04969	0.4
95.08607	0.3
98.97550	0.3
105.03378	0.9
105.07037	0.3
107.04958	0.5
107.08577	0.5
109.06522	0.3
111.04400	0.3
115.05470	0.5
117.03403	0.2
119.04931	0.2
119.08582	0.3
121.02892	0.5
121.06466	0.4
121.10131	0.5
123.00795	0.3
123.04403	0.3
124.01598	0.7
128.06232	0.4
129.07011	0.5
131.04938	0.7
131.08572	0.2
133.02890	0.4
133.10094	0.3
134.03633	2.8
135.04384	0.8
135.11623	0.3
137.02347	9.2
137.05949	0.6
139.03825	0.5
139.11131	0.2
141.06975	0.6
145.06511	0.4
145.10104	0.4
147.04405	0.8
147.11809	0.2
149.02356	1.4
149.05978	0.2
149.09601	0.2
150.03116	2.1
152.01053	0.7
153.01840	5.1
157.06477	2.5
157.16423	0.2
159.11655	0.2
160.05148	0.4
161.02357	0.5
161.05942	0.3
163.03865	0.3
163.11145	0.3
165.06874	0.3
167.03429	1.0
167.07101	0.7
168.05737	0.2
169.06502	0.6
170.02167	0.4
171.04396	1.2
174.06781	0.4
175.03918	0.8
175.21312	0.2
177.01900	0.4
182.00323	0.2
184.05190	0.8
185.05980	1.7
187.03914	2.3
188.04704	1.6
189.05464	2.6
191.03474	0.5
191.06926	0.2
192.04204	0.2
193.04993	0.4
195.04247	0.4
197.06030	2.2
198.73068	0.2
199.03911	1.2
201.05473	0.8
202.06216	0.6
212.04712	1.2
213.05473	16.9
214.06099	0.3
215.03380	0.7
216.04225	0.5
217.04951	0.7
225.05437	0.2
226.06218	0.2
227.03516	0.4
227.07001	0.6
227.12708	0.3
229.04953	4.6
230.05785	2.0
231.06430	1.3
240.04276	1.0
241.04965	15.2
242.05649	0.5
245.08087	2.7
245.13860	0.4
255.06419	1.3
257.04431	0.6
258.05255	7.4
259.10693	0.4
268.03668	1.3
269.04459	10.0
269.07642	0.4
270.04996	0.3
273.07571	1.2
283.05972	0.6
283.10773	0.3
285.03876	1.4
286.04721	23.2
287.05173	0.5
301.07071	100.0
302.07404	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0708
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
52.45938	0.2
53.98301	0.2
55.01870	0.3
55.05504	0.3
56.96548	0.4
57.03431	0.5
64.67860	0.2
67.05501	0.5
68.99793	2.2
69.03418	0.3
69.07063	0.3
70.06601	0.4
71.04993	0.3
71.55785	0.3
73.25444	0.2
73.35193	0.2
76.42702	0.2
79.05484	0.7
81.03396	0.3
81.07041	0.8
83.04973	0.3
84.02107	0.4
85.02865	0.3
86.09689	0.3
89.12730	0.2
91.05493	1.1
93.07059	1.0
95.04984	0.3
97.06516	0.3
98.97565	0.6
105.07028	0.4
107.04962	1.1
107.08605	0.4
111.04452	0.7
116.98540	0.2
117.06972	0.4
118.04170	3.1
118.04943	0.4
119.04970	1.1
119.08619	0.3
121.02828	0.6
121.06490	0.4
121.10131	0.7
127.00316	0.3
128.06171	0.4
129.07022	0.3
131.04903	0.3
131.08539	0.4
132.95064	0.2
135.04396	0.2
135.11665	0.6
135.12625	0.2
136.01563	0.3
137.02275	0.2
137.05981	0.5
139.07513	0.3
140.01054	3.0
144.08092	0.2
145.10118	0.6
149.05962	1.0
153.01823	0.4
153.05484	0.3
153.07033	0.4
153.12756	0.3
156.05661	0.4
159.04497	0.5
160.05266	0.3
161.05949	0.3
163.11188	0.8
164.00969	0.2
167.03445	0.5
167.07076	0.3
168.00557	11.2
168.52171	0.2
169.01335	1.7
171.02934	0.2
173.09630	0.6
177.05501	0.8
181.06454	0.4
181.12180	0.4
184.05197	1.7
186.01605	6.7
191.10669	1.3
197.06062	0.3
197.46001	0.2
201.05466	0.3
209.11671	0.2
212.04709	1.3
213.05443	0.8
227.12851	0.3
229.04974	1.5
230.05678	0.4
240.04205	2.8
241.05008	1.3
245.07957	0.3
255.06575	1.4
255.09018	0.2
257.04599	1.2
258.05276	4.8
268.03741	1.0
269.04477	0.9
274.04544	0.2
283.05890	0.4
285.03967	17.0
286.04739	95.2
287.05154	1.5
301.07092	100.0
302.07385	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0705
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
67.01875	0.1
68.99821	0.1
69.07059	0.1
69.98717	0.4
91.05462	0.1
93.07025	0.1
106.04183	0.1
107.08683	0.1
129.96544	0.1
130.06552	0.1
149.05978	0.3
152.01233	0.1
153.01831	1.8
153.02991	0.1
156.84068	0.1
159.07579	0.1
178.37663	0.1
184.05113	0.1
201.05502	0.2
203.03337	0.1
213.05453	0.2
216.04189	0.1
229.04959	2.7
230.05655	0.3
255.11229	0.1
257.04480	0.9
258.05258	46.1
259.05679	0.7
269.04251	0.2
285.03775	0.1
286.04739	57.5
287.05106	0.7
301.07083	100.0
302.07394	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43751	0.1
55.01844	0.1
55.05489	0.2
56.96531	0.2
57.03419	0.1
67.05461	0.4
68.99793	2.2
69.03392	0.4
69.07047	0.3
70.00568	0.2
70.06567	0.2
71.04969	0.1
71.55722	0.1
75.46861	0.1
79.05471	0.3
80.73646	0.1
81.03423	0.2
81.07027	0.4
83.08553	0.1
84.02082	0.4
86.06049	0.2
86.09675	0.1
89.03925	0.1
91.05437	0.5
93.07006	0.4
95.04945	0.2
95.08567	0.4
97.06504	0.1
98.97559	0.3
99.04427	0.1
105.06989	0.5
107.04932	0.2
107.08566	0.3
109.06477	0.2
109.10126	0.3
112.01542	0.4
117.06953	0.2
118.04157	3.2
119.04947	0.6
119.08545	0.3
121.02851	0.7
121.06470	0.2
121.10129	0.3
126.50180	0.1
127.00114	0.1
127.03861	0.1
128.06198	0.5
129.06956	0.1
131.04880	0.2
131.08531	0.2
132.05714	0.3
133.10095	0.2
134.03642	0.3
135.04358	0.2
136.01524	0.1
137.02327	0.2
137.05945	0.5
139.07483	0.4
140.01044	2.6
145.06468	0.3
145.10088	0.3
147.04385	0.2
147.08107	0.1
149.02325	0.2
149.09579	0.1
151.03938	0.1
153.01804	0.9
153.06958	0.2
155.04897	0.2
155.08516	0.2
156.05681	0.5
157.06416	0.2
159.04388	0.4
159.11613	0.2
163.11125	0.3
164.01103	0.2
167.07100	0.2
168.00548	12.7
169.01328	1.6
171.04459	0.3
173.05887	0.2
175.64735	0.1
179.03445	0.2
181.06451	0.3
183.02887	0.1
184.05202	1.5
185.04190	0.6
185.05894	0.3
186.01598	6.1
186.09137	0.2
187.03847	0.3
189.73111	0.1
191.10669	0.2
199.03874	0.2
201.05516	0.4
202.06271	0.2
211.03900	0.2
212.04691	1.6
213.05464	1.1
216.04280	0.1
217.04863	0.2
226.06201	0.2
227.03430	0.2
228.10217	0.1
229.02890	0.1
229.04991	1.8
230.05586	0.3
240.04182	2.5
241.04941	2.0
241.08801	0.2
245.08121	0.2
255.06476	0.9
255.11168	0.2
257.04465	1.3
258.05261	4.6
259.10654	0.4
268.03647	1.3
269.04425	1.0
273.03748	0.2
283.05972	0.6
283.10583	0.2
285.03946	17.2
286.04718	94.7
287.05145	1.4
301.07068	100.0
302.07367	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0346
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
50.45560	0.4
53.00283	0.5
53.03920	0.5
53.43161	0.5
55.01865	1.6
55.05516	3.2
55.82243	0.4
56.96552	1.0
57.03429	1.4
57.07062	0.7
65.03941	1.5
67.01846	1.5
67.05229	0.4
67.05508	5.3
68.99445	0.7
68.99793	11.6
69.03426	2.8
69.07076	3.5
71.04987	3.3
79.05495	4.4
81.03407	1.5
81.07066	6.5
83.01324	0.5
83.04989	0.8
83.08597	1.2
84.73244	0.5
85.02895	0.8
85.06534	0.9
91.05474	4.3
93.03374	0.6
93.07050	6.6
95.04960	2.5
95.08598	5.5
95.25748	0.5
97.02869	1.1
97.06532	1.4
97.10149	0.7
98.97584	1.5
103.05459	0.5
105.03378	1.8
105.07030	7.6
107.04980	2.5
107.08589	5.5
109.06500	1.6
109.10154	3.9
111.04424	1.2
111.08077	1.1
115.05468	1.8
116.98636	0.5
117.07014	2.2
119.04958	1.2
119.08590	4.2
121.02869	10.4
121.06504	1.9
121.10159	3.5
122.33196	0.4
123.00801	0.5
123.04385	1.1
123.08064	1.2
123.11671	0.7
125.09621	0.6
129.05525	0.7
129.07027	1.5
131.04872	1.2
131.08578	3.1
133.02902	0.7
133.06540	0.6
133.10133	5.3
134.03653	2.0
135.04367	0.8
135.08072	1.7
135.11684	2.4
137.02368	2.7
137.05978	1.5
137.09598	0.8
137.13263	0.5
139.03972	1.1
139.05389	0.4
139.14091	0.4
142.07787	0.7
143.04897	0.7
143.08569	0.9
145.10110	3.8
147.04385	1.4
147.08063	1.2
147.11671	2.5
149.02348	38.3
149.09595	1.2
150.03003	0.6
151.03918	1.5
151.11194	0.6
152.00984	0.7
152.06209	0.6
153.01828	88.1
153.06920	1.1
154.02219	0.6
155.08562	1.0
157.06456	0.8
157.08820	0.6
157.10086	1.8
158.99612	0.5
159.07971	0.6
159.11725	2.0
160.05171	0.6
161.02338	3.1
161.05983	2.0
161.09602	1.7
161.13287	1.1
163.03911	2.7
163.11165	3.1
165.07051	0.8
167.03406	11.9
167.07079	0.7
167.08519	0.6
168.05695	0.5
169.10083	0.7
171.04361	2.5
171.11681	1.1
173.05913	0.7
173.09642	0.9
173.13249	1.9
175.03908	2.0
175.07542	1.8
175.14888	0.9
177.05475	1.3
177.09084	0.5
181.06477	1.3
183.11705	0.7
184.05156	0.6
184.13336	0.8
185.06023	1.1
185.13319	1.0
187.14824	1.1
188.04724	1.7
189.01961	0.7
189.05487	1.4
191.10608	0.5
191.14359	1.2
197.05931	0.6
197.13362	0.9
198.72697	0.5
199.03928	0.7
201.16353	1.5
202.06316	1.3
203.03403	21.1
203.07010	6.0
203.09119	0.9
205.04976	10.5
207.02864	0.6
212.04654	1.0
212.09315	1.2
213.05461	3.7
213.16438	1.2
215.03468	0.6
215.07053	0.7
215.14349	0.8
216.04115	2.4
217.04984	8.2
217.08531	1.4
217.15849	1.0
226.06282	1.0
227.03467	1.2
227.07050	1.3
227.11746	1.4
229.05000	3.4
230.05801	1.9
231.02937	18.1
231.06499	19.3
240.04091	1.4
240.08997	0.8
241.04988	5.0
241.09996	2.3
245.04445	6.1
245.08093	4.5
255.02945	2.3
255.06473	1.2
255.11324	5.5
257.04440	0.6
258.05237	3.1
259.05969	2.3
268.03729	0.7
269.04477	6.4
273.03964	12.9
273.07431	1.5
273.10666	0.4
283.02350	2.8
283.05981	2.0
283.10812	4.9
283.20645	1.2
285.03964	1.2
286.04739	12.5
286.07770	0.6
299.56863	0.6
301.03458	57.1
301.07089	100.0
301.10629	7.2
301.21616	6.6
301.25058	0.8
302.04105	1.1
302.07474	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0347
Annotation	Demethylwedelolactone
Peak:m/z	Relative Intensity
51.49748	0.3
52.01690	0.3
53.03938	0.4
55.01873	0.7
55.05520	1.6
56.96575	0.5
57.03432	0.9
57.07077	0.6
62.52343	0.3
63.04716	0.3
67.05507	2.2
68.99436	0.6
68.99799	9.0
69.03432	0.4
69.07083	2.0
69.39021	2.6
71.05000	0.8
74.89627	0.3
79.05492	1.6
81.03436	0.6
81.07060	2.9
83.04956	0.4
83.08630	1.0
85.02901	0.4
90.05541	0.4
91.05494	1.4
93.07021	1.8
95.04954	0.7
95.08617	2.7
95.09181	0.4
97.02906	0.5
97.06561	0.4
97.10167	0.3
98.97554	0.5
103.05457	0.4
105.07045	2.6
106.07384	0.4
107.04990	1.0
107.08583	1.7
109.10168	1.4
111.04498	0.4
115.05477	2.0
117.07026	1.3
119.08611	1.2
121.02873	0.5
121.06553	0.4
121.10162	1.4
123.04471	0.8
123.11778	0.4
128.06274	0.6
129.07037	0.8
131.01350	0.8
131.04973	1.4
131.08620	1.0
133.06500	0.4
133.10167	0.7
135.04454	0.7
135.11699	1.2
137.02391	2.4
137.05994	1.0
139.03941	0.6
143.04959	1.2
143.08524	0.4
145.06537	1.4
145.10165	1.0
147.04437	1.4
147.11717	0.5
149.02370	0.8
149.06049	0.4
149.09758	0.4
149.13341	0.4
153.01862	0.6
153.05490	0.7
153.06935	0.5
155.04953	2.7
155.06102	0.5
157.06528	1.5
157.10236	0.4
159.04475	1.1
159.11766	0.5
159.46809	0.3
161.02370	0.9
161.05988	1.6
163.03889	2.0
163.11279	0.5
164.04834	0.4
171.04410	3.1
173.05991	2.4
173.13278	0.5
175.03952	0.4
177.05518	1.2
181.06509	0.6
183.04474	1.5
183.08366	0.4
184.05247	0.4
185.06006	1.7
187.03986	0.8
187.14845	0.4
188.04782	0.4
189.05455	3.9
189.06770	0.3
197.06017	0.5
198.06857	0.4
199.03944	2.6
200.04688	0.6
201.05495	3.2
201.16577	0.4
202.06293	0.9
203.03407	1.8
203.07130	1.4
211.03940	0.6
212.04781	1.2
213.05510	2.9
217.04991	5.5
217.08646	0.5
220.10503	0.6
227.03398	3.1
227.07080	1.1
228.04066	0.6
229.04987	3.2
230.05792	1.9
231.02968	1.0
231.06657	1.0
240.04379	0.6
241.05017	2.7
241.08736	0.5
243.06555	0.3
245.04478	18.4
245.08057	2.1
247.24409	0.4
255.02910	14.4
255.06445	0.9
255.08862	0.4
256.03519	0.5
257.04675	1.0
257.20947	0.7
258.05338	1.4
269.04453	5.6
269.07245	0.5
273.04041	24.6
273.07593	5.2
283.02402	18.7
285.04050	1.2
286.04712	3.4
300.23328	0.7
301.03537	100.0
301.07123	20.5
301.10745	1.9
301.21759	1.5
302.03824	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.01876	3.0
55.05503	10.6
55.05745	2.9
56.96555	9.1
57.03431	4.4
67.05508	22.9
68.02469	2.5
68.99789	18.6
69.07087	12.3
69.43336	5.5
69.43739	15.0
71.04996	5.1
76.00354	2.6
79.05488	11.1
79.72200	2.6
80.09196	2.3
81.07058	75.0
83.04977	7.1
83.08648	3.6
85.06538	4.6
87.89738	3.1
90.05560	99.8
91.05475	28.0
93.07058	16.8
95.04993	5.7
95.08612	15.9
97.06535	6.3
98.20766	5.8
98.97604	4.8
105.07036	71.1
107.04977	5.3
107.08620	15.2
109.06532	6.4
109.10170	5.4
115.05414	3.5
117.07019	6.1
119.08579	25.8
121.10155	15.1
123.04433	3.0
123.11704	24.7
129.07018	5.3
133.10118	4.7
135.08069	3.2
135.11708	3.1
136.06158	3.0
136.11246	6.0
137.02351	3.2
145.06483	4.6
145.10138	5.8
145.50655	2.6
147.04405	4.5
147.11693	54.6
157.06447	4.6
157.10071	4.0
161.06000	2.8
165.12775	26.8
171.04413	7.4
173.05998	5.7
179.03398	8.3
180.03740	7.6
183.13866	6.1
184.11234	8.5
185.06046	3.3
193.12167	3.4
199.03976	5.0
201.05511	7.5
202.06306	2.6
202.12282	9.8
210.14966	2.7
213.05473	5.7
217.04997	6.3
219.13809	6.7
220.10378	3.4
226.15970	4.6
227.03461	3.4
227.06895	2.6
229.14371	8.1
230.05730	5.4
236.16490	39.5
241.04988	9.5
245.04500	15.7
245.08191	4.4
254.17543	60.0
255.03050	15.3
256.20618	72.3
257.04401	2.6
258.05307	4.1
269.04553	12.9
273.03943	25.5
273.07483	10.9
282.16983	19.5
283.02411	19.0
283.13574	2.8
285.04074	3.4
285.07413	3.9
286.04782	7.4
300.02606	2.7
300.06055	7.1
300.09503	9.4
300.20053	5.7
300.23190	59.1
301.03430	100.0
301.07074	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1081
Annotation	anthraniloyl-O-glucose
Peak:m/z	Relative Intensity
59.97688	0.8
60.13084	1.0
69.25199	8.0
70.06582	3.8
79.04276	0.9
84.04482	1.1
86.09696	2.1
88.02215	4.3
92.54955	0.9
94.06547	2.6
104.64215	0.8
109.67676	0.9
110.06066	2.1
110.07162	0.8
112.07655	1.0
121.08618	1.4
123.02663	0.9
124.03935	1.0
134.02740	2.5
136.06187	3.6
138.05516	100.0
151.02147	0.8
163.13350	0.8
176.95317	0.8
193.03259	0.8
198.16490	0.8
214.05957	1.0
232.06920	1.5
233.85600	0.8
254.05344	0.9
258.04825	2.8
272.06412	1.1
300.05893	5.6
300.09402	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1079
Annotation	anthraniloyl-O-glucose
Peak:m/z	Relative Intensity
50.63456	0.3
61.42249	0.2
62.06076	0.8
63.50297	0.2
69.24709	0.2
71.54011	0.2
71.54422	0.3
73.02863	0.3
81.03414	0.6
85.02903	1.1
88.57867	0.3
89.57365	0.3
92.04985	1.3
93.07027	0.4
94.06565	2.9
101.00873	0.4
103.05485	0.3
110.06035	1.4
119.01916	0.5
121.06509	3.7
124.03974	0.5
127.03870	0.3
136.06129	0.3
138.05505	100.0
166.34158	0.3
198.98570	0.9
202.57451	0.5
295.03430	0.4
300.10782	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	299.2581
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
55.05508	19.1
57.07079	14.0
67.05508	40.8
69.07069	25.0
71.08633	5.7
71.15195	2.2
71.15496	2.0
74.07458	1.7
79.05497	5.5
81.07058	59.5
83.08618	35.5
91.05495	3.1
93.07053	4.9
95.08611	100.0
97.10179	21.4
105.07030	3.1
109.10163	39.7
111.11743	9.3
119.08633	3.7
123.11701	16.1
124.30609	1.8
125.13294	8.7
137.13249	14.2
139.14841	4.1
148.29463	1.9
151.14861	5.5
164.52962	1.9
165.16391	4.6
179.03442	3.7
221.22685	17.9
230.21907	1.8
239.23692	30.1
263.23502	1.8
284.06760	4.1
299.05994	3.6
299.09222	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	299.2583
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
52.22600	2.5
55.05516	16.9
57.07084	15.8
67.05511	47.9
69.07079	25.5
69.61723	19.2
71.08641	7.0
79.05492	6.5
81.07069	56.6
83.08626	42.0
85.06503	4.1
91.05482	5.4
93.07095	3.7
95.08614	100.0
97.10185	18.9
104.20190	3.0
105.07043	3.7
107.08614	4.6
109.10168	36.2
111.11720	8.2
113.32712	2.8
119.08591	6.8
123.11704	22.4
125.13314	5.1
131.34795	2.9
137.13303	13.5
151.14870	7.1
159.11763	3.4
165.01840	5.9
165.16487	3.8
179.03477	9.4
183.02979	4.2
184.03389	3.2
221.22626	22.6
239.23758	28.0
245.22736	3.7
284.06842	12.1
299.05621	7.3
299.09229	25.0
299.31213	4.9
303.76157	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69473	3.9
55.05512	16.3
57.07067	15.0
59.91166	4.2
67.05505	48.7
69.07074	31.7
71.55760	6.7
71.94062	4.2
76.47515	4.2
79.05515	7.2
81.07058	54.0
83.08623	31.6
91.05497	4.9
95.08611	100.0
96.69391	4.5
97.10184	23.6
102.06571	4.0
105.07040	6.3
109.10160	42.6
111.11747	5.1
117.11725	4.5
123.11695	18.8
125.13280	9.1
133.10129	4.2
137.13229	11.7
147.04395	4.3
151.14857	7.4
157.41103	5.2
165.01790	10.7
179.03438	18.8
183.02876	4.7
221.22633	13.4
239.23790	21.4
284.06918	10.2
299.05707	9.2
299.09177	34.1
299.12381	6.1
299.31406	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2583
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
55.05517	18.4
55.60180	2.0
57.07075	12.6
59.09350	1.9
67.05177	3.5
67.05510	47.0
69.07070	27.0
69.92178	3.5
69.92586	7.7
71.08624	2.2
79.05494	5.0
81.06590	3.1
81.07061	55.8
83.08624	46.0
85.06582	2.1
85.10176	2.6
91.05480	2.4
93.07053	5.8
93.76054	1.7
94.89824	2.8
95.08614	100.0
97.10178	18.9
105.07067	3.3
109.10166	42.0
111.11720	8.4
119.08578	2.5
123.11717	21.7
125.13273	9.1
127.12284	2.0
133.10155	2.8
137.13249	11.3
139.14825	3.2
144.96481	2.4
151.14804	6.3
165.16373	5.3
179.03375	4.1
221.09685	2.1
221.22668	16.9
239.23746	30.7
245.22566	2.2
284.06894	3.2
299.09103	7.9
299.16861	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	299.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.6
55.01873	2.6
55.05309	2.2
55.05519	27.2
57.03433	5.5
57.07076	16.0
64.96035	2.5
65.03951	2.9
67.05177	4.4
67.05511	52.5
69.03429	5.0
69.06788	2.6
69.07079	30.4
71.01353	5.3
71.08623	8.0
71.54797	3.0
79.05507	16.2
81.07065	61.4
83.04971	2.5
83.08630	34.5
85.06538	3.3
91.05470	9.7
93.03405	2.4
93.07039	9.2
95.04990	3.7
95.08616	100.0
96.08937	2.8
97.06546	3.1
97.10178	24.1
105.07036	10.2
107.08596	5.3
109.10179	43.5
110.10532	2.4
111.11714	8.4
119.08568	10.5
121.06529	2.2
121.10144	4.7
123.11729	20.7
123.48040	2.2
125.13287	6.2
133.10109	5.9
135.08029	4.7
135.11687	2.6
137.13246	10.8
145.02820	3.2
146.34851	2.7
151.14819	6.2
157.10214	2.6
161.13251	2.5
163.03932	54.5
165.01849	18.4
165.16347	2.9
181.04906	2.7
183.02902	9.4
221.22641	12.0
225.11241	3.9
239.23685	19.0
241.04915	4.7
243.10146	2.6
245.22873	3.2
256.07245	4.8
284.06754	23.6
299.05688	5.2
299.09119	68.3
299.14417	11.0
299.19980	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	299.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.3
56.96561	1.5
58.68675	0.6
65.03920	0.7
66.81493	0.6
67.05533	3.2
69.03419	0.9
69.07053	2.0
79.05501	3.9
81.07052	3.6
83.04982	1.5
83.08610	1.5
91.05489	19.0
93.07073	3.4
93.14137	0.6
95.04990	1.7
95.08616	4.8
97.06506	0.8
98.97587	2.2
100.51334	0.6
103.05492	1.4
105.07047	9.7
107.08607	4.9
109.06497	0.8
109.10155	1.3
111.08107	0.7
115.05461	1.5
116.06223	3.3
117.07015	1.5
118.67305	0.6
119.04958	5.0
119.08599	7.6
121.06495	1.8
121.10161	4.2
123.00734	0.7
123.08083	1.7
123.11690	0.7
125.09644	1.9
127.03848	0.6
128.06247	0.8
129.07040	5.3
131.04930	1.9
131.08583	22.6
132.05731	6.5
133.06506	1.4
133.10130	2.2
134.03644	1.2
135.08046	0.9
135.11717	0.8
137.05923	0.7
142.07809	1.4
143.08560	2.2
145.10139	1.4
147.04428	0.8
147.08099	0.8
147.11687	0.9
149.09624	3.3
151.03883	2.5
153.06996	0.7
155.08607	0.9
156.09377	1.2
157.10153	3.1
159.08072	56.4
159.11673	1.5
160.04845	0.7
161.05997	1.7
161.09610	1.6
161.13364	0.8
168.05786	0.6
169.10115	1.6
169.80997	0.7
171.11679	2.4
173.09625	1.0
173.13268	0.9
175.11128	0.9
179.03416	4.0
180.11314	0.7
181.10060	0.6
182.07248	1.2
183.08043	2.0
183.11682	2.1
184.03758	2.9
185.09584	0.8
189.12746	1.5
193.10188	1.0
195.11777	1.1
196.05186	1.7
197.06013	1.5
197.13229	2.0
199.11185	2.6
199.14870	0.8
201.12759	1.2
207.11742	1.1
210.06841	1.2
211.07587	2.5
211.11194	1.0
212.11963	0.6
213.05453	1.6
213.12823	0.7
221.13333	1.4
223.14839	1.2
224.04584	1.1
225.12781	1.9
227.07059	3.3
228.07755	2.5
234.99261	0.6
239.07053	5.4
239.14380	1.0
239.18008	1.1
241.04984	2.0
243.10181	6.0
243.13826	1.0
245.09393	0.7
253.04980	0.7
253.19621	0.7
255.06496	1.6
256.07324	10.5
257.04343	1.0
257.19040	1.4
263.17981	1.9
267.06491	3.9
267.09045	1.1
275.55515	0.9
275.97925	1.1
281.05951	0.9
281.19052	12.3
283.05948	2.1
284.06821	28.9
285.10098	1.0
299.09161	100.0
299.20074	23.0
300.09521	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01968	1.2
53.03941	2.3
55.01871	4.0
55.03401	1.1
55.05515	12.5
56.96556	4.3
57.03440	16.8
57.07067	2.1
60.58084	1.1
67.05510	39.4
68.85217	1.4
69.07074	13.8
71.04992	5.7
71.55589	2.5
71.63084	1.3
72.91275	1.3
79.05492	23.0
81.03410	3.5
81.07062	100.0
83.04983	10.1
83.08610	8.1
85.06525	4.6
91.05485	41.2
93.07055	15.5
93.99338	1.5
95.04973	5.9
95.08610	22.7
97.02908	1.3
97.06536	10.4
97.10188	2.8
98.97581	5.2
99.08083	5.0
105.03400	2.5
105.07037	37.5
107.04939	3.5
107.08610	15.5
109.06513	8.2
109.10152	4.5
111.04468	1.9
111.08085	3.0
115.05457	2.3
116.98630	2.8
119.04965	2.9
119.08582	29.7
121.10136	16.9
123.04365	1.9
123.08065	5.2
123.11720	22.6
129.06990	5.4
129.09102	2.6
129.26631	1.3
131.04845	1.3
131.08569	5.6
133.02797	1.5
133.06476	1.2
133.10135	14.1
134.79161	1.2
135.08014	1.3
137.02324	8.0
137.13266	6.2
141.09093	2.1
142.07756	1.4
143.08589	2.2
145.10130	2.9
147.04391	4.6
147.08054	1.8
147.11699	76.8
149.02362	2.2
149.09618	2.4
151.03909	17.3
151.11205	2.6
157.06482	1.4
157.10161	9.5
161.09668	3.0
163.03923	1.6
165.01869	3.5
165.12764	48.9
169.04933	1.9
175.03879	2.9
175.11221	9.1
179.03426	19.9
181.59906	1.6
183.02888	1.6
183.66347	1.7
185.09714	2.1
189.09166	1.9
193.12253	12.9
197.15401	6.4
225.11189	1.6
239.03329	1.3
239.07004	1.6
243.15900	3.1
256.07251	1.5
267.03003	2.6
267.09039	5.8
267.15930	3.8
271.06018	2.1
284.06909	7.9
285.10083	3.5
299.05478	12.5
299.09137	31.5
299.15198	2.5
299.18439	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	299.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.0
55.01859	6.1
55.05516	16.1
56.96352	1.6
56.96566	15.2
57.03439	26.7
59.05006	3.4
62.64226	1.8
65.03950	2.7
67.05508	44.3
68.99798	3.2
69.03437	2.7
69.07070	21.1
71.04978	7.2
71.53143	2.0
71.55822	2.8
77.41749	2.0
79.05499	28.4
81.03405	8.6
81.07063	100.0
83.04987	9.5
83.08631	11.3
85.06521	7.3
91.05486	40.4
93.07055	20.7
95.04961	7.4
95.08611	28.7
97.02883	2.8
97.06517	11.3
97.10148	2.0
98.97585	7.6
99.00808	3.6
99.08102	6.9
104.97708	2.1
105.07045	49.3
107.04955	20.9
107.08595	14.4
109.02878	6.9
109.06522	9.5
109.10166	5.1
111.04449	6.0
111.08100	3.4
115.05437	6.1
116.98639	4.6
117.06997	3.0
119.04918	4.1
119.08593	34.9
121.06534	4.8
121.10152	19.5
123.04478	2.9
123.08072	6.1
123.11706	18.1
128.06216	2.6
129.07024	6.3
129.09122	2.8
131.08551	6.4
133.06493	4.3
133.10144	23.0
136.06233	3.7
137.02347	73.6
137.13242	4.3
139.34378	1.9
142.07768	2.8
143.04953	6.5
143.08569	3.6
145.10080	3.8
147.04398	4.2
147.08107	2.2
147.11703	81.3
149.09560	2.2
151.11240	3.6
155.03410	12.1
155.08603	2.4
157.01680	3.3
157.10085	9.9
158.99652	2.7
161.05977	6.8
161.09602	5.8
163.03926	8.3
165.01851	3.8
165.12758	58.1
171.04420	14.3
171.11890	2.4
175.07671	2.7
175.11162	10.7
177.00801	2.5
179.03436	11.1
179.10675	4.9
183.03098	2.4
185.04849	2.3
187.14818	2.1
189.05466	7.5
189.09103	4.7
193.04959	4.9
193.12245	10.2
197.15390	7.3
203.05922	5.5
207.10245	2.5
225.11165	7.5
267.03049	10.4
267.06296	4.1
267.09058	41.7
267.15933	3.7
271.06039	2.5
274.97617	2.3
281.08139	14.7
281.10947	2.6
284.06808	12.7
285.10092	31.6
290.10864	3.7
299.05591	14.9
299.09192	68.0
299.15045	4.5
299.18527	27.6
308.11649	3.1
317.12784	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	299.1855
Annotation	Tetranor-PGD1
Peak:m/z	Relative Intensity
51.94365	1.0
53.03948	2.4
55.01875	3.1
55.05263	1.4
55.05511	14.5
56.96580	1.6
57.03442	20.4
63.48610	1.1
65.03921	1.7
67.05511	38.4
69.03422	2.4
69.07078	14.3
71.04995	4.9
73.06542	1.4
73.43797	1.2
79.05067	1.8
79.05495	23.1
81.03418	2.0
81.07065	100.0
83.04995	9.4
83.08622	6.3
85.06552	7.9
91.05488	40.1
91.11942	1.3
91.66660	1.2
93.07056	15.6
95.04955	5.0
95.08620	17.7
95.09183	2.4
97.06550	10.8
98.97511	1.4
99.08118	4.8
105.07038	45.2
107.04954	1.8
107.08608	17.2
109.06519	7.1
109.10136	4.1
111.08074	2.5
115.05457	1.8
116.06184	1.5
117.07034	1.4
119.04933	1.4
119.08593	33.0
121.06508	1.2
121.10155	17.8
123.08052	4.7
123.11717	23.6
129.06993	6.0
131.08583	7.9
133.06505	2.6
133.10164	15.1
137.13248	3.9
141.09146	1.4
142.07794	1.8
145.03525	1.1
147.04410	2.9
147.11697	91.7
149.09636	3.3
157.10156	10.9
158.30162	1.3
159.08051	5.0
165.01894	2.3
165.12766	57.4
175.11200	9.0
179.03424	6.0
183.15492	1.4
193.12292	12.9
197.15419	8.5
199.11308	1.5
225.14842	1.4
229.14400	2.3
243.06517	3.7
243.15865	1.8
267.09097	2.4
267.15860	2.3
271.06131	1.7
275.97809	1.3
284.06784	3.7
284.72437	1.1
285.10022	1.8
290.36536	1.1
299.05447	5.0
299.09088	10.7
299.12430	2.6
299.18500	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	299.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	14.3
53.03941	11.1
55.01888	16.4
55.05519	66.1
57.03444	46.8
57.07082	6.5
59.04989	9.4
62.06075	3.5
65.03935	3.0
67.05512	56.9
68.85014	3.0
69.03421	8.6
69.07067	22.0
71.01360	26.0
71.04990	5.6
71.55199	4.4
73.02898	4.0
76.22939	2.8
79.05074	3.5
79.05495	42.5
80.85781	2.4
81.03430	13.9
81.07063	87.7
83.04976	13.5
83.08627	42.5
85.06535	4.6
91.05485	59.1
93.07053	48.5
94.26898	3.2
95.04980	14.4
95.08622	26.4
97.02895	14.7
97.06529	11.9
97.10180	14.2
99.00827	61.0
99.04459	3.0
103.05485	7.4
105.07039	48.1
107.04964	13.7
107.08588	26.9
109.02872	22.1
109.06509	10.2
109.10177	28.3
111.04461	7.0
111.08057	9.8
115.03950	6.0
117.07012	13.2
119.08591	34.3
121.06514	24.0
121.10160	3.6
121.18796	3.7
123.04412	4.2
123.08069	5.0
123.11694	8.9
125.09554	4.0
127.03915	6.4
128.06226	7.0
128.21596	3.2
129.06953	4.2
129.75813	3.3
131.08588	5.2
133.06529	4.6
133.10144	85.0
135.08057	8.8
137.05945	3.4
137.09586	3.3
139.07530	6.2
141.01811	3.9
143.08583	14.2
151.11203	23.1
153.09074	5.0
161.05960	7.1
161.09647	42.9
163.07515	3.6
165.01842	30.8
171.08080	11.7
179.03401	5.5
179.10698	28.7
183.02953	26.4
189.09143	26.5
197.11719	13.3
207.10181	12.8
225.11234	50.6
243.12292	8.7
256.07343	4.0
284.06778	27.3
299.05582	9.7
299.09177	56.4
299.14905	100.0
299.20160	10.0
299.23541	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	299.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.1
55.05522	1.6
56.96571	2.2
69.03431	1.4
70.69638	3.4
81.07066	1.6
84.04526	3.8
84.52750	1.3
90.05614	1.5
91.05510	2.6
98.09708	1.5
100.11340	1.9
102.45812	1.2
105.03402	1.3
107.04970	3.4
137.02377	1.8
137.05753	17.3
141.01779	1.5
154.12315	2.7
165.02005	2.0
185.04236	72.0
211.04330	3.0
281.18719	1.6
284.06897	3.2
299.05634	12.6
299.11139	100.0
308.25845	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49620	2.4
53.00315	14.7
53.03943	5.9
55.01865	12.1
55.05273	3.2
55.05518	55.8
57.03440	39.4
57.07069	5.5
59.04996	7.1
67.05509	40.5
69.03428	3.9
69.07065	13.7
69.44199	18.8
71.01352	8.6
71.05003	5.9
73.02908	3.3
79.05501	31.5
81.03423	17.3
81.07067	54.9
82.30393	2.5
83.04967	9.6
83.08625	39.3
85.06545	3.5
91.05481	57.2
93.07053	50.7
93.09346	2.6
95.04974	13.4
95.08624	22.3
97.02902	11.2
97.06528	10.0
97.10169	8.2
99.00822	59.3
99.08085	4.2
103.05489	3.4
105.06393	3.8
105.07043	50.4
107.04948	14.3
107.08617	22.9
109.02896	22.2
109.06535	8.9
109.10156	23.8
111.04435	2.6
111.08080	10.9
115.03934	8.6
117.07011	10.7
119.04992	5.2
119.08594	22.5
121.02909	2.7
121.06512	21.7
121.10143	3.0
123.04424	6.9
123.11734	10.2
127.03927	6.4
128.06248	4.7
129.06990	5.2
131.08543	4.2
133.06561	4.0
133.10141	100.0
135.08057	6.5
135.11783	2.9
137.05966	6.1
137.09596	4.2
139.07553	8.3
143.08565	14.0
145.10162	7.9
147.08052	5.3
151.11200	35.1
161.05908	2.8
161.09631	49.5
165.01880	23.2
171.08049	14.0
175.03960	2.6
179.03421	12.9
179.10687	41.3
183.02942	19.1
189.09103	32.6
197.11765	16.7
207.10156	12.8
225.11223	47.3
241.14369	2.5
243.12241	8.7
267.09076	4.9
267.15903	6.6
279.70737	2.4
284.06891	19.2
285.10391	3.4
299.05823	5.7
299.09256	41.6
299.14905	83.1
299.18240	4.1
299.23755	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0917
Annotation	Isoneobavachalcone
Peak:m/z	Relative Intensity
53.00300	0.4
53.03959	0.5
55.01873	1.1
55.05511	1.0
56.96574	1.2
57.03434	0.6
62.82938	0.3
65.03927	0.7
67.05511	2.4
69.03434	0.6
69.07069	0.8
69.22002	0.4
69.22375	0.3
77.03943	0.8
79.05498	2.5
81.03426	1.5
81.07060	1.5
83.01347	0.5
83.28497	0.3
85.02921	1.5
91.05485	3.7
93.07037	0.9
95.01339	2.6
95.04977	4.2
95.08622	0.9
98.97604	1.0
99.00810	0.4
99.57590	0.4
105.03404	6.6
105.07040	1.0
107.04972	1.7
107.08614	0.5
109.02873	1.0
109.10169	0.7
116.98689	0.4
119.04948	5.5
119.08585	0.5
121.02847	0.4
121.10192	0.4
123.00866	0.4
123.04442	5.7
128.06186	0.4
133.02840	4.5
133.06499	0.8
133.10107	0.9
145.41754	0.3
147.04420	13.9
149.02295	0.4
149.57645	0.3
150.03078	0.9
151.03911	6.4
158.44548	0.4
161.02359	4.2
161.05986	1.1
161.09579	0.4
167.49954	0.3
169.06465	0.4
171.11728	0.4
177.98695	0.4
179.03407	100.0
180.03693	0.4
203.59125	0.3
256.07288	0.7
261.26462	0.4
267.09045	1.7
275.97821	0.4
281.08090	4.0
284.06842	3.6
285.10175	1.6
299.05835	1.6
299.09149	30.4
299.14618	1.3
300.09543	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0917
Annotation	2'-METHOXYFORMONETIN
Peak:m/z	Relative Intensity
67.05509	0.6
69.07056	0.4
69.57603	1.9
70.64047	0.3
81.07062	0.3
88.80975	0.3
91.05468	0.4
94.15442	0.3
98.14555	0.3
98.21481	0.6
121.06517	0.4
122.03651	0.5
129.06956	0.4
131.08582	0.7
134.03647	7.2
137.05963	0.5
145.02869	0.3
150.03098	0.8
151.03912	14.5
159.08026	0.5
161.02289	0.5
163.46999	0.3
168.04231	0.8
168.05730	1.2
172.08827	0.7
179.03426	2.0
182.07326	0.4
183.08086	0.5
185.06020	1.3
190.92802	0.3
196.05206	1.9
199.07553	1.0
200.08287	2.9
211.07561	3.5
213.05437	1.2
224.04727	4.7
227.07031	13.1
228.07800	6.5
239.07040	9.0
241.04970	0.6
243.06499	0.6
243.10214	1.8
252.04308	1.6
255.06554	0.7
256.07315	1.7
267.06528	13.3
271.06030	0.5
271.09720	0.4
283.06055	7.3
284.03506	0.4
284.06815	32.8
299.09155	100.0
300.09497	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
53.03942	0.4
55.01873	4.4
57.32809	0.1
58.81692	0.1
59.05005	0.7
59.59409	0.1
60.98714	0.1
65.00295	0.1
65.03933	0.3
67.01851	0.3
67.05489	0.1
68.99786	2.8
69.03431	1.1
69.86467	0.3
76.64108	0.1
79.01858	1.8
79.05486	0.2
81.03420	2.7
87.97556	0.1
91.05485	0.1
92.99766	2.0
95.04943	0.1
97.02895	1.4
99.00819	2.0
99.16618	0.1
105.07027	0.5
107.04957	0.1
109.02873	0.9
111.00772	0.2
114.35582	0.1
120.05763	0.1
121.02844	0.2
121.06512	3.2
123.00794	1.8
130.05551	0.1
130.73192	0.1
133.87045	0.1
135.04419	0.4
135.08058	4.6
137.02339	3.7
141.01833	5.4
147.00714	0.4
155.03375	0.3
161.06020	0.1
163.03917	0.3
165.01837	100.0
166.02151	0.7
170.57919	0.1
183.02890	35.5
184.03273	0.2
191.03404	3.8
197.04422	0.2
206.04414	0.2
253.27885	0.1
257.08121	0.3
284.06796	0.1
299.09143	11.0
300.09424	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0917
Annotation	Eucomin
Peak:m/z	Relative Intensity
53.03952	0.8
55.01878	5.2
55.88983	0.2
59.05004	1.2
65.03939	0.2
67.01869	1.4
67.05501	0.5
67.94335	0.3
68.99792	4.0
69.03441	1.6
69.07067	0.4
69.60962	1.4
79.01872	2.3
79.05511	0.4
81.03426	3.8
81.07068	0.4
91.05480	0.6
92.99780	2.4
95.08597	0.2
97.02894	1.8
99.00822	2.8
103.05485	0.5
105.07050	1.0
109.02888	1.0
111.00819	0.6
115.05437	1.2
117.07035	1.6
118.07344	0.3
119.08562	0.3
121.02886	0.4
121.06525	3.9
122.57105	0.2
123.00806	1.0
123.04491	0.3
127.03938	0.3
131.04938	0.6
133.06476	0.9
135.04459	0.3
135.08061	5.8
137.02345	4.6
141.01846	7.0
145.06508	2.5
146.06836	0.4
147.00777	0.4
147.08049	0.4
149.06003	0.4
151.03940	0.3
153.01837	13.6
155.03392	0.8
155.06065	0.7
157.06519	0.3
158.06853	0.3
159.04465	0.4
159.08154	0.3
163.03912	0.4
165.01848	100.0
166.02209	0.7
171.02885	2.8
173.06015	2.9
179.03401	0.8
183.02904	65.4
184.03304	0.6
187.06508	0.5
191.03416	4.7
197.04474	0.4
206.04533	0.4
212.07683	0.3
229.07532	0.3
243.06509	1.0
253.07678	0.9
257.07870	0.4
274.42334	0.3
281.07126	1.4
284.06888	0.9
299.09067	21.4
299.12775	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0553
Annotation	Isotrifoliol
Peak:m/z	Relative Intensity
51.64880	0.2
55.05499	0.5
56.96542	0.5
57.03385	0.3
57.07050	0.2
64.49683	0.2
65.03923	0.2
67.05466	0.9
69.03399	0.3
69.07031	0.6
70.13506	0.8
79.05447	0.6
81.03376	0.2
81.07005	0.9
83.04949	0.2
83.08576	0.3
91.05439	0.6
93.07011	0.6
95.08560	0.8
98.21353	0.2
98.97575	0.4
100.11200	0.2
101.15823	0.2
105.07011	0.6
107.04918	0.2
107.08566	0.4
109.10134	0.5
112.35428	0.2
115.05390	0.2
116.98578	0.3
119.08548	0.3
121.02843	0.9
121.10167	0.5
123.11732	0.2
131.01294	3.3
131.04881	0.2
133.10117	0.3
137.02341	1.6
139.05449	1.1
144.05666	0.9
145.10045	0.3
147.11688	0.3
155.04938	1.3
156.05716	0.3
157.10162	0.3
165.01826	0.3
167.04900	0.7
171.04410	0.5
172.05206	1.2
179.03397	0.7
183.02963	0.3
183.04405	0.9
184.05194	0.7
185.05991	0.2
186.03099	1.1
187.03928	0.5
187.07552	2.7
195.04419	3.2
197.05989	0.4
199.03917	0.6
200.04704	4.1
201.05435	0.3
211.03918	3.1
211.11017	0.2
212.04794	1.1
214.02702	0.2
215.03267	0.3
223.03864	0.3
225.05481	0.4
227.03421	1.6
228.04181	19.9
239.03409	15.2
239.06995	0.4
240.04018	0.4
243.06529	4.5
253.04507	0.2
255.02901	5.3
256.03668	4.6
267.02890	74.7
268.03546	2.1
271.06042	6.8
284.03180	18.8
284.06543	1.1
285.10117	0.2
299.05521	100.0
300.05859	1.0
312.89410	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0553
Annotation	Glyzaglabrin
Peak:m/z	Relative Intensity
53.03942	0.6
55.01856	0.9
55.05512	2.0
56.96560	0.7
57.03446	1.4
57.07071	0.4
65.03937	0.7
67.05513	2.6
68.99773	0.5
69.03416	0.5
69.07074	1.6
71.01337	0.7
71.04970	0.5
77.03923	0.4
79.05489	2.0
79.30428	0.3
81.03429	2.0
81.07061	3.5
83.04940	0.5
83.08604	1.3
85.06532	0.4
91.05478	2.3
93.07050	2.1
95.04947	0.9
95.08595	1.8
97.06530	0.6
97.10120	0.6
98.21642	0.4
98.97554	0.4
99.00803	0.8
105.03402	2.3
105.07043	3.3
107.04939	0.6
107.08582	1.5
109.02866	0.9
109.06509	0.4
109.10165	2.3
111.04453	0.4
111.08064	0.5
115.05405	0.7
116.98640	0.3
117.07027	1.0
119.04935	0.3
119.08620	1.5
119.87997	0.4
121.02893	0.8
121.06497	0.4
121.10148	0.7
123.08135	0.4
123.11694	0.6
125.09640	0.5
127.03943	0.4
128.06212	0.9
129.07036	1.8
131.08566	0.6
133.02840	1.8
133.10150	2.9
135.04453	0.3
137.02347	23.1
139.67068	0.3
139.93513	0.3
141.06982	1.4
143.08545	0.6
145.06444	0.4
145.10115	0.3
145.95456	0.3
147.04425	0.6
147.07979	0.3
147.11697	0.6
149.02353	0.9
151.11221	0.6
157.06511	5.1
157.10005	0.4
159.08139	0.3
159.11708	0.5
161.02379	0.4
161.09624	0.9
161.13329	0.4
162.03102	0.8
163.03929	0.6
165.01880	0.6
168.05640	0.3
169.06447	0.8
171.04436	0.8
172.05261	0.3
173.05986	0.9
179.03403	1.8
179.10703	0.5
183.11612	0.3
185.06030	2.7
185.13287	0.4
187.03925	0.5
187.07507	0.3
189.01764	1.6
189.09160	0.8
189.16315	0.4
190.02672	0.8
193.04817	0.4
195.09927	1.5
197.05971	4.9
197.11729	0.4
197.13412	0.3
199.03918	2.6
199.14845	0.5
200.04668	0.5
201.05486	2.9
207.02866	1.3
209.13339	0.3
213.05481	41.2
214.05779	0.5
215.07054	0.7
225.05508	1.1
225.11188	1.1
227.03392	2.2
228.04158	1.4
239.03391	0.8
241.04973	26.6
243.06560	2.4
253.05034	0.5
255.02977	0.5
256.07382	0.3
267.02933	5.4
267.09045	1.3
267.11807	0.4
269.04489	9.7
271.06024	2.1
281.04498	0.7
284.03207	1.1
284.06888	1.5
285.10172	1.3
299.05530	100.0
299.20331	1.4
300.05951	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0551
Annotation	Isotrifoliol
Peak:m/z	Relative Intensity
55.01812	0.5
59.02966	0.4
67.05424	0.9
69.06992	0.6
69.37241	2.6
79.05414	0.6
81.03342	0.5
81.06978	0.6
83.08560	0.4
91.05407	0.8
93.06980	0.9
95.08547	0.8
105.06941	0.5
107.22264	0.4
109.06431	0.4
115.05371	0.7
117.80983	0.4
119.08485	0.4
119.77004	0.4
123.04317	0.4
124.65862	0.3
131.01244	0.8
133.06462	0.4
133.10089	0.6
135.07867	0.4
137.02330	3.6
139.05319	1.1
142.67995	0.4
143.08401	0.5
147.04410	0.7
155.03387	0.5
155.04828	1.2
159.75455	0.4
163.03893	0.4
165.01828	4.3
167.04814	0.6
171.04341	1.0
172.05127	0.6
174.82880	0.4
179.03320	1.6
183.02806	1.8
183.04317	0.9
184.05162	1.7
187.07492	0.8
189.05283	0.5
195.02937	0.5
195.04436	5.6
200.04590	1.1
211.03813	2.1
212.04686	3.3
225.11168	0.6
227.07007	1.8
228.04182	11.4
239.03416	13.2
240.04021	0.6
243.06528	3.4
255.06525	0.9
256.03641	1.8
267.02893	100.0
268.03546	1.7
271.06030	4.2
281.08286	0.8
284.03201	3.0
284.06860	1.2
293.78702	0.4
299.05551	66.3
299.09012	6.4
299.20087	0.7
300.05814	0.9
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	(+)-Lepadin D
Peak:m/z	Relative Intensity
55.05516	17.2
56.05038	8.1
56.96558	5.3
57.07075	5.8
58.02963	2.2
60.04530	7.9
64.75050	1.1
67.05505	23.4
67.78647	1.1
68.05023	5.0
69.07070	14.8
69.64973	8.0
71.08631	2.5
71.12974	1.4
74.06052	1.3
79.05496	13.8
80.05017	3.0
81.03387	2.4
81.06587	1.7
81.07058	20.3
82.06576	8.9
83.08636	7.1
86.06075	2.3
91.05497	8.5
93.07049	10.5
94.06554	3.7
95.04964	2.8
95.08603	15.0
96.08150	1.7
97.06516	2.9
97.10149	4.4
98.97590	30.4
100.07619	2.8
105.07039	4.3
107.08605	5.3
108.08118	1.6
109.10172	6.2
116.98611	18.9
117.07017	1.2
119.08592	3.9
121.10136	6.3
123.11662	1.7
132.32983	1.3
133.10120	2.1
134.99640	6.8
135.11642	2.2
136.06200	7.9
140.00218	1.8
147.11642	1.9
232.96584	1.9
245.22591	1.9
250.25302	8.4
256.96558	4.1
262.25241	3.1
266.11752	3.6
270.33249	1.3
272.49982	1.2
274.97519	24.1
280.26361	100.0
292.98535	12.0
297.99228	2.8
298.11377	2.0
298.27350	4.8
299.05621	2.1
299.09113	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.05513	13.7
56.05048	5.9
56.96561	4.0
57.07059	3.0
58.02962	2.2
59.72836	0.9
60.04536	7.7
61.01152	1.1
67.05507	24.9
68.05026	2.9
69.07069	14.1
69.28697	0.9
71.08636	1.8
71.55354	1.2
72.92670	0.9
74.06080	1.1
79.05497	13.9
80.05003	3.7
81.03422	1.9
81.07069	18.4
82.06584	11.0
83.04989	1.5
83.08630	7.5
84.08114	1.2
86.06065	3.0
91.05477	8.4
93.07028	7.8
94.06568	3.6
95.04972	2.3
95.07330	1.6
95.08611	13.7
96.08123	1.8
97.06535	1.4
97.10169	3.5
98.97592	21.8
100.07616	1.9
105.07023	4.1
107.08576	3.9
108.08121	1.7
109.06535	0.9
109.10183	5.3
116.98626	14.1
119.08581	3.5
121.10151	3.8
122.09699	1.7
123.11732	1.1
126.74799	1.1
129.96965	0.9
133.10124	2.9
134.99646	5.3
135.10536	0.9
135.11703	2.5
136.06216	6.7
137.02426	1.0
140.00200	1.2
156.85875	1.0
161.05751	0.9
172.94286	1.0
179.03407	2.3
179.23857	1.0
190.95457	1.1
232.96388	1.7
238.01514	1.1
250.25276	7.8
250.97466	1.3
256.96442	3.1
262.25345	5.2
266.11688	3.1
274.97519	22.9
280.26373	100.0
281.26746	1.0
285.09906	1.0
292.98587	9.9
296.32675	1.2
297.99146	2.3
298.07974	1.2
298.14386	1.1
298.27573	5.1
298.30447	1.2
299.09195	2.7
306.06433	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	1.6
55.05516	9.1
57.07083	4.6
59.50964	1.6
60.04528	21.3
67.05506	17.6
69.07072	15.8
69.98691	7.5
72.04503	1.7
73.20248	2.1
79.05495	11.4
79.58837	1.5
81.07060	26.3
83.08610	5.2
91.05479	17.6
93.07058	30.6
95.04958	2.2
95.08613	51.7
97.10146	2.2
98.20831	2.7
105.07040	37.8
107.08606	39.4
109.10158	36.9
114.78629	1.6
115.03153	1.6
119.08588	37.7
121.10149	22.1
123.11713	11.5
123.41751	2.0
131.08586	2.0
133.10135	31.1
135.11699	5.5
136.06171	2.3
141.56172	1.6
143.06218	2.4
147.11694	43.3
161.13284	13.9
169.07823	4.1
173.78313	2.3
175.14803	9.5
183.09319	3.6
203.17963	100.0
204.18176	2.5
239.15686	6.4
262.21600	9.9
266.11819	4.4
298.08060	1.8
298.19351	84.3
298.24582	4.2
298.27664	2.5
298.30930	8.3
299.09103	2.3
299.19879	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	298.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
54.51588	0.7
54.72331	0.6
55.01873	1.6
55.05512	7.2
55.21629	0.7
56.05043	1.0
56.96569	1.6
57.03428	1.0
57.12938	0.7
60.04530	100.0
61.01116	0.8
67.05512	15.7
67.05873	0.9
68.05035	1.9
69.03464	0.7
69.07073	8.8
70.02974	2.0
70.79038	1.6
70.79377	0.9
71.04994	2.0
79.05499	10.0
81.03415	1.6
81.07063	35.3
82.02977	1.0
83.03741	1.0
83.04988	2.5
83.08611	3.8
84.04504	5.3
84.08144	1.2
85.02957	0.8
85.06577	1.8
88.03996	3.9
91.05489	10.9
93.07056	8.2
94.06580	0.9
95.04998	1.6
95.08618	8.5
96.04498	12.4
96.08172	0.7
96.08914	0.9
97.06547	3.2
97.11337	0.6
97.11979	0.6
97.95364	0.6
98.09710	0.7
98.97583	1.9
99.08115	0.9
100.18546	0.7
105.07034	12.5
106.05039	3.6
107.04931	1.2
107.08610	5.8
108.04495	2.2
108.08184	1.1
108.08893	0.9
109.06502	1.7
109.10163	2.3
110.06049	2.5
116.05276	0.7
116.98650	0.9
119.08584	8.4
121.10167	6.2
122.06067	2.2
122.09691	1.8
123.08104	1.1
123.11713	8.0
124.07581	3.4
124.12048	0.7
129.07030	1.0
131.08597	2.3
133.10123	8.2
135.11685	0.9
136.06186	8.3
136.07565	3.3
137.13216	1.1
138.09160	2.2
142.04985	5.7
147.03529	0.6
147.10509	1.0
147.11693	18.1
148.11241	1.0
149.09651	1.0
150.09161	2.6
152.10724	1.0
157.10101	1.9
164.10732	1.0
165.12770	7.8
171.11737	0.7
175.11200	2.0
177.12752	1.3
178.15942	1.2
178.58232	0.7
183.13892	1.1
188.14478	0.8
190.12321	0.7
193.12267	2.2
206.15411	22.8
211.13257	0.8
216.13869	3.1
220.04329	0.8
224.16490	4.4
229.14343	2.7
234.14906	43.6
243.12524	0.7
252.15965	57.4
254.17499	1.0
262.14410	1.5
266.11826	1.1
267.06677	0.8
267.12796	1.5
270.16995	4.8
274.97308	0.8
280.15466	42.6
298.16504	56.5
299.05496	2.4
299.09076	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0969
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
61.01155	5.3
66.51590	0.2
69.03423	0.4
69.78553	1.3
72.23935	0.2
75.02707	1.9
83.85648	0.2
88.72234	0.2
94.04070	0.3
97.02900	1.3
103.02180	0.6
110.35997	0.2
119.03551	1.0
136.06194	100.0
137.04631	0.4
137.06526	0.6
145.03215	1.4
161.85100	0.2
163.04251	1.2
207.94360	0.2
213.90910	0.3
227.86893	0.2
284.11148	0.2
298.09738	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	297.2425
Annotation	9R-HODE
Peak:m/z	Relative Intensity
53.03944	4.6
55.01865	4.7
55.05272	2.6
55.05516	43.7
57.07079	95.6
65.03940	4.0
67.05507	87.6
69.03416	9.2
69.07071	45.5
71.04996	11.6
71.08635	53.7
71.55837	3.8
79.05495	56.3
81.07064	99.8
83.04993	16.4
83.08619	40.9
85.06553	3.7
85.10183	29.6
91.05466	14.5
93.06472	4.2
93.07046	57.4
93.07632	3.3
95.08614	100.0
97.06534	11.9
97.10181	29.4
99.08140	2.4
105.07014	5.7
107.04996	2.8
107.08595	35.5
109.06559	3.7
109.10162	56.5
111.04435	12.9
111.08089	2.7
111.11714	7.0
117.06998	3.6
119.08615	4.8
121.06512	2.8
121.10150	64.9
123.11725	24.2
125.05986	5.7
125.09586	2.8
126.97736	2.4
129.05521	13.0
131.08540	6.6
135.11710	39.1
137.13280	13.2
139.07565	2.5
145.10117	4.5
147.11716	2.8
149.09624	4.3
149.13251	10.3
151.14847	4.3
155.14368	2.4
163.14839	6.0
167.10643	2.9
177.16414	3.4
179.17920	4.2
183.17477	4.2
197.19019	19.0
201.16440	2.1
217.19507	2.1
219.21082	54.6
219.23016	1.9
233.22598	4.0
237.22133	59.7
243.21152	4.9
251.23749	6.0
256.26389	2.7
261.22244	5.1
279.23227	11.5
297.07425	4.6
297.19040	4.2
297.24280	97.8
297.29886	8.5
298.31049	30.2
299.06479	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	297.2426
Annotation	Coronaric acid
Peak:m/z	Relative Intensity
53.03941	2.2
55.01866	1.5
55.05277	1.6
55.05519	24.9
57.03426	1.7
57.07082	84.2
57.49809	1.4
57.63643	1.2
67.05512	41.5
69.03410	2.9
69.07071	21.3
71.04974	3.9
71.08638	55.7
71.15376	2.9
79.05502	26.1
81.07064	41.6
83.04993	10.3
83.08626	17.4
85.06547	2.2
85.10189	23.4
87.04452	1.3
91.05474	4.7
93.07051	22.0
95.08615	59.5
97.06557	6.3
97.10177	14.6
99.11731	1.9
105.07036	2.4
107.04977	1.7
107.08610	13.1
109.10160	24.7
111.04459	5.6
111.08082	2.5
111.11748	3.6
121.10154	21.8
123.11735	11.5
127.26377	1.5
129.05496	4.5
133.10213	1.8
135.11687	12.7
136.28372	1.4
137.13255	3.4
149.13269	4.2
163.14870	1.6
167.03439	2.1
176.92781	1.3
177.71695	1.4
179.17993	2.3
183.17406	6.6
197.19032	22.2
219.21118	7.1
233.22656	3.8
233.38982	1.4
237.22153	40.9
243.21092	1.7
251.23732	6.7
255.23221	4.0
279.23285	9.1
279.25858	1.5
293.93106	1.2
297.07629	4.4
297.24280	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2425
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
55.01848	1.5
55.05518	17.5
57.07079	68.1
65.03939	2.2
67.05508	31.2
69.03421	2.6
69.07064	18.4
71.04987	3.2
71.08634	41.7
79.05502	15.4
81.07063	34.1
83.04999	8.6
83.08632	12.0
85.10194	21.6
91.05477	4.1
93.07043	17.0
95.08610	41.0
97.06512	3.2
97.10184	13.8
103.26915	1.4
105.06998	2.8
107.08580	9.9
109.10161	18.4
111.04437	3.3
111.11700	1.4
117.06979	1.6
119.08588	2.5
121.10145	15.0
123.11698	10.4
133.10135	1.7
135.08051	2.1
135.11719	10.5
137.13284	3.1
145.10088	1.9
147.23540	1.4
149.13229	2.3
161.45613	1.6
183.03128	1.4
197.19025	24.1
219.21059	2.4
221.06171	1.8
230.77095	1.9
233.22629	4.4
233.71005	1.4
237.22151	38.0
237.24515	1.9
251.07033	1.5
255.23193	3.8
279.06635	1.7
279.23328	4.0
297.07544	5.1
297.24265	100.0
298.24631	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2427
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
52.34000	2.7
53.03956	5.6
55.01863	8.8
55.05265	4.8
55.05517	61.9
57.03437	10.0
57.07082	30.8
57.39393	3.2
63.25741	3.0
67.05508	83.2
69.03432	8.1
69.06723	4.4
69.07076	58.8
69.30894	18.3
69.31313	7.4
69.34241	2.8
71.01355	9.0
71.04990	7.1
71.08637	19.3
79.05505	39.7
81.07064	100.0
83.04990	8.1
83.08624	34.9
85.06548	5.3
91.05497	19.9
93.07047	40.1
95.08616	78.2
97.06527	12.0
97.10188	41.6
98.21577	5.0
98.97585	3.1
99.08102	8.9
105.07027	16.8
107.04924	3.3
107.08607	37.2
109.06541	4.0
109.09459	4.2
109.10168	49.4
111.08100	5.2
111.11736	4.2
115.05399	3.0
117.07047	8.5
117.22414	3.3
119.08602	7.7
121.06527	3.1
121.10165	16.7
123.08083	5.3
123.11730	16.5
125.09649	25.1
127.11224	2.8
127.51262	3.0
129.07013	3.5
131.08589	4.6
133.10141	9.9
135.08055	6.1
135.11685	30.8
137.09666	3.1
137.13268	11.9
139.11174	2.9
141.12761	5.3
143.08595	4.5
145.10095	8.3
147.11710	7.3
149.13277	10.4
151.07576	5.2
151.14795	6.0
153.09122	6.0
153.12770	13.4
159.08153	3.2
159.11647	8.3
161.13260	9.4
163.11142	3.0
163.14793	5.2
169.15869	8.9
173.11874	5.7
173.13226	9.4
179.14288	3.1
183.13824	68.0
189.09654	3.1
189.11186	18.9
201.08994	3.7
219.21030	3.7
223.16711	3.5
233.22801	4.4
237.22119	5.4
239.07198	4.2
243.21063	13.1
251.23674	18.1
261.22150	31.4
274.97626	3.7
279.06223	3.6
279.20331	5.9
279.23233	71.2
297.07581	13.1
297.18262	5.4
297.24304	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	296.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64988	0.4
52.37019	0.5
53.03960	0.6
55.01892	0.8
55.05514	11.2
57.03434	0.7
57.05820	0.7
57.07072	1.4
67.05510	15.0
69.07082	2.3
69.45731	3.8
71.05006	1.0
72.08160	100.0
78.16566	0.5
79.05496	3.0
81.07065	12.2
83.05005	0.6
83.08632	2.1
85.06559	1.0
91.05471	3.9
92.14017	0.4
93.07054	3.7
95.08616	14.5
97.06559	1.0
97.10172	1.1
98.06081	1.3
99.77258	0.5
104.28976	0.5
105.07045	2.0
106.80475	0.5
107.08604	1.7
109.10149	3.2
111.08135	0.8
116.07132	1.2
118.08664	39.8
119.08557	3.5
121.10153	1.2
133.10141	1.5
135.11729	1.2
137.13284	1.5
161.13277	3.4
179.14337	2.3
195.10498	0.6
232.98332	0.5
249.25728	0.5
250.21693	11.7
268.06961	1.5
278.21481	0.5
296.06387	4.4
296.22250	7.2
296.29535	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0764
Annotation	Aristolic acid
Peak:m/z	Relative Intensity
51.02390	0.3
53.03940	0.2
55.01876	2.4
57.07068	1.0
65.03952	0.4
67.01874	0.2
67.05501	0.6
68.99796	8.3
69.03413	0.4
69.84657	0.4
69.85064	0.7
71.01361	2.0
71.04919	0.2
71.08650	1.0
73.95969	0.2
77.03934	0.5
79.01865	0.3
79.05488	0.7
81.07059	0.4
89.03905	0.2
91.05488	12.5
93.91576	0.2
95.08623	0.4
95.84015	0.2
97.02885	0.2
98.20840	0.4
102.04652	0.3
103.05468	0.7
105.07058	1.0
107.04980	0.2
109.02889	0.3
109.10147	0.2
111.00817	0.9
115.05463	20.1
116.06274	2.3
117.07030	14.5
117.07697	0.2
119.04951	0.3
121.10170	0.4
127.05497	0.3
128.05281	0.2
128.06224	4.7
129.07011	4.2
131.04958	1.1
131.08598	1.6
133.02850	0.7
133.06502	6.8
137.02376	0.4
139.03889	0.8
139.05458	0.3
141.01842	0.2
141.06976	1.8
141.12744	0.7
142.13159	0.3
143.04938	0.5
143.06044	0.2
143.08589	1.6
144.05716	0.8
145.06496	26.0
147.04433	1.0
151.05457	0.3
152.06206	4.5
153.01872	1.4
153.07007	6.9
154.07774	0.8
155.04893	0.3
155.06041	0.9
155.08575	3.9
156.05757	0.2
156.38986	0.2
157.06502	18.9
159.04399	0.5
159.08064	7.0
160.05209	2.0
161.06158	0.2
163.03941	0.4
163.07550	3.1
165.01863	3.5
165.07024	7.2
166.07843	1.3
167.08577	5.6
168.05750	1.3
169.06488	2.6
170.07188	0.4
171.04408	0.6
171.08069	9.5
173.06004	8.1
173.07527	0.3
175.03918	0.4
176.06212	1.5
177.07008	4.5
178.07765	2.5
179.03496	0.3
179.08562	2.6
180.05724	0.2
181.06485	9.7
182.07274	2.6
183.02911	2.5
183.04405	0.2
183.08070	6.2
183.13786	0.2
184.05167	1.7
185.05989	36.0
186.06488	0.3
187.03952	0.4
187.07559	5.2
189.07018	0.5
192.05719	0.4
193.04895	0.7
193.06538	1.4
194.07291	0.8
195.08070	8.4
196.05174	0.3
196.08627	0.3
197.05991	2.6
197.09679	0.7
198.06767	0.9
199.03908	0.4
199.07556	11.6
201.05475	4.9
201.09221	0.9
203.03401	0.5
203.06955	0.2
205.06502	5.3
206.07266	1.3
207.08061	2.1
208.05194	1.0
208.08868	0.2
209.05983	10.0
210.06795	2.8
211.07552	10.1
212.04657	0.6
213.05516	2.9
213.09108	0.4
214.06233	0.8
215.06978	0.4
221.05981	1.2
222.06715	0.5
223.07555	12.9
224.08336	1.0
225.05568	1.5
225.09035	1.0
226.06223	1.0
227.07043	22.6
228.07695	0.3
229.08620	9.1
231.06531	1.1
233.05962	3.3
234.06750	1.9
235.07568	2.8
236.04637	1.1
236.08293	0.2
237.05486	6.2
238.06238	1.5
239.07053	0.3
241.05019	0.4
241.08624	1.3
243.06552	0.8
249.05540	0.3
250.06256	1.2
251.07054	36.0
252.07771	1.5
253.05016	2.9
253.08603	18.6
254.05791	0.5
254.08812	0.3
255.06528	6.2
261.05466	1.3
262.06342	0.9
263.07080	0.5
265.04996	0.7
269.08130	5.0
271.05963	0.9
273.07599	0.5
278.05606	0.2
279.06543	43.7
279.23337	0.4
280.07278	3.2
282.05096	0.5
297.07593	100.0
298.07800	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1649
Annotation	Nuciferine
Peak:m/z	Relative Intensity
50.95618	0.5
55.05465	1.0
56.96516	0.5
62.06026	1.3
67.05469	1.0
68.18346	0.5
69.03373	0.6
69.07026	0.8
71.55280	0.9
72.08109	0.6
79.05434	0.8
81.06985	1.9
82.07324	0.6
90.18562	0.4
91.05396	0.6
95.08620	2.0
96.08907	0.6
98.97529	0.9
105.06970	1.8
107.08582	0.8
109.10107	1.1
119.08538	0.6
120.04398	1.1
147.11594	0.4
165.06978	0.5
178.07658	1.3
179.08571	3.7
189.06966	1.6
189.41217	0.5
190.07805	2.1
191.08556	4.1
192.24571	0.4
193.06520	0.5
194.07098	0.4
202.07724	1.4
203.08565	3.2
204.09291	0.7
205.06512	1.0
205.10159	2.3
206.07268	1.0
207.08060	7.3
217.06555	2.4
218.07329	5.0
219.08073	10.4
220.08722	0.6
221.06085	3.3
221.09567	5.7
222.06802	0.7
222.10384	1.8
232.08917	0.5
233.09636	5.2
234.10420	30.1
235.07559	31.3
236.08318	6.0
237.09042	1.2
238.09920	0.8
239.06207	0.4
249.09058	2.6
250.09908	44.1
251.10147	0.8
253.12286	0.5
265.12253	100.0
266.12622	2.2
296.16492	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	295.2635
Annotation	Methyl linoleate
Peak:m/z	Relative Intensity
53.03960	0.4
53.70063	0.4
54.95171	0.3
55.01872	0.8
55.05517	12.3
57.03447	2.8
57.07082	3.3
59.05016	2.2
59.05257	0.3
59.91183	0.3
61.02949	0.5
62.38037	0.4
65.26335	0.3
67.05511	9.2
69.03435	3.8
69.07076	100.0
69.31493	1.0
69.31899	2.3
70.07397	0.5
71.05017	0.6
71.08638	1.2
73.02935	2.8
73.06616	0.4
79.05503	2.6
81.07064	16.9
83.04994	0.6
83.08628	7.2
85.02921	2.7
85.06562	2.4
85.10187	0.7
87.04491	0.7
90.15594	0.4
91.05505	1.5
93.07064	4.6
95.04980	0.8
95.08622	12.1
97.02914	2.3
97.06546	3.4
97.10187	2.5
98.20684	0.7
99.04489	0.4
99.08102	2.0
105.07037	2.2
107.08604	4.3
109.06528	1.6
109.10172	13.4
111.08138	0.8
111.11731	26.8
115.03951	1.4
119.08585	1.5
121.10161	5.6
123.08112	0.6
123.11715	4.9
125.09644	0.4
127.11227	1.0
129.12770	2.4
133.04985	1.4
133.10155	1.0
135.11700	1.8
137.09616	0.9
137.13284	1.7
139.11189	20.8
145.04959	0.5
147.11688	1.2
149.13345	2.0
151.11180	0.4
153.12796	0.7
157.12244	2.4
161.13225	0.7
163.14897	0.7
165.12798	0.7
175.14914	0.6
177.16437	1.0
189.16451	0.5
193.15932	1.3
195.17603	0.5
207.17590	0.4
258.18439	0.4
259.24188	0.8
277.25320	4.3
295.05997	0.5
295.09988	0.3
295.14957	0.5
295.26343	22.7
296.26715	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03953	25.4
53.21929	2.4
54.55602	2.3
55.01866	9.1
55.05518	35.4
55.67716	2.1
57.03441	2.6
57.07068	9.3
65.03954	3.2
67.05510	76.1
69.03432	4.1
69.06731	3.3
69.07074	48.0
71.04973	3.4
71.08617	5.9
79.05080	2.8
79.05506	43.4
81.03426	83.4
81.07066	67.1
81.54484	2.2
81.94403	2.1
83.04974	20.6
83.08643	13.0
85.06558	2.8
85.10183	5.2
87.03151	1.9
91.05486	23.4
93.07048	46.8
95.04449	3.9
95.04986	42.1
95.08618	28.8
97.06516	4.0
97.10161	9.3
99.08081	4.3
105.07041	30.0
107.05020	2.8
107.07955	3.5
107.08613	32.0
109.06519	8.8
109.10165	25.5
111.08061	3.6
113.09647	2.8
117.07026	4.9
119.08570	15.7
121.10144	12.4
123.08090	2.7
123.11732	11.2
123.74673	2.4
125.09638	10.2
131.08553	7.7
133.10141	22.3
135.08055	7.4
135.11691	8.7
137.09685	2.5
143.08569	3.4
145.10081	2.5
147.11720	19.1
149.09601	2.4
149.13310	9.9
151.11197	61.6
153.09097	5.2
157.10133	3.5
159.11687	2.9
161.13324	11.2
163.11234	3.6
163.14824	6.5
165.12788	12.8
171.10303	3.1
171.11681	6.9
173.13121	3.0
175.11134	4.8
175.14871	3.6
179.14285	5.6
181.12094	2.2
185.13266	3.3
189.12720	4.1
193.12175	3.1
199.14835	2.5
207.13776	6.4
217.19519	5.3
221.15286	3.3
231.21094	15.0
241.19530	7.6
249.22104	7.3
259.20508	9.6
277.21664	100.0
295.22681	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	295.227
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03931	4.0
55.01874	5.7
55.05516	36.1
57.03461	5.7
57.07078	8.8
57.33058	4.4
61.62423	3.9
64.72832	4.4
66.29288	5.8
67.05511	75.9
69.03431	4.8
69.07067	26.2
71.05008	5.9
71.08637	41.4
77.22149	4.0
79.05501	53.1
81.03425	7.9
81.07064	65.6
83.04987	12.8
83.08604	23.9
91.05494	34.2
93.07047	67.1
95.04987	10.1
95.08624	41.5
97.06551	9.7
97.10164	12.9
99.08105	38.7
105.07051	25.7
107.04974	7.5
107.08606	44.1
109.06522	5.1
109.10161	37.7
111.08105	5.2
113.09595	5.1
117.07001	5.2
119.08598	14.5
121.10157	45.1
123.11719	7.7
125.09648	14.0
131.08586	4.4
133.10170	8.9
135.11694	44.1
137.09566	4.3
141.09149	4.2
147.11737	6.8
149.13281	10.5
151.11240	20.7
159.11746	5.0
161.13280	11.2
163.11160	9.7
167.73227	5.0
172.43399	4.3
177.12770	4.6
179.14319	100.0
189.11270	10.4
235.16965	5.3
259.20566	7.3
277.21631	54.4
295.22702	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03947	4.1
53.35891	2.2
54.88135	2.3
55.01878	13.7
55.05514	53.3
56.96574	6.5
57.03435	10.1
57.07071	12.0
62.02761	2.5
65.03949	2.7
67.05511	100.0
69.03425	7.3
69.07076	43.0
71.05003	8.3
71.08629	9.4
72.08154	8.0
79.05502	52.5
81.03424	10.9
81.06586	4.5
81.07066	88.2
83.04992	17.6
83.08625	27.3
85.06525	8.5
85.10190	4.0
91.05491	43.0
93.07057	61.4
94.07407	3.9
95.04984	23.8
95.08614	52.0
97.06525	11.9
97.10173	21.5
98.20803	7.3
99.08108	8.2
105.07045	29.2
107.04994	3.2
107.08595	35.3
109.06514	9.0
109.10165	34.1
111.08083	8.6
111.11646	2.9
116.97213	2.5
117.07024	8.3
118.08660	3.3
119.04980	13.2
119.08572	19.4
121.10140	24.1
123.08056	5.8
123.11769	12.3
125.09663	14.7
129.07014	4.4
129.38168	2.5
131.08577	9.8
133.06456	3.6
133.10150	18.3
135.11716	18.1
137.09627	10.7
137.13269	5.3
139.11211	15.0
139.12086	2.4
143.08546	5.0
145.10117	5.8
147.04449	14.1
147.11694	16.8
149.02390	3.2
149.13245	11.3
151.11240	15.5
153.12772	5.2
159.11685	4.2
161.05907	3.7
161.13246	15.1
163.11230	2.8
163.14925	3.2
165.07088	4.1
165.12740	9.9
171.11679	3.0
175.03896	9.4
175.11217	3.0
175.14938	5.3
178.13039	3.9
179.14285	6.2
183.07986	3.4
185.13202	6.3
189.11185	6.3
189.12834	4.6
193.12204	4.4
203.37070	2.9
207.13878	4.1
211.07535	2.8
231.21045	5.5
239.06950	13.7
241.19638	4.7
249.22200	4.0
259.20645	11.7
259.84622	3.2
277.21643	79.0
295.06122	5.9
295.09753	5.4
295.13226	10.5
295.22751	60.1
313.03925	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03937	7.9
55.01632	2.7
55.01875	37.1
55.05515	58.5
57.03428	6.5
57.07080	12.8
65.03935	3.6
66.13110	2.5
67.05511	84.4
69.03419	6.3
69.07077	44.4
69.49363	4.8
69.49758	15.5
71.04974	6.0
71.08631	28.5
79.05503	53.2
81.03429	21.6
81.07063	81.7
83.04984	23.9
83.08630	32.0
85.06533	4.9
85.10168	9.4
91.05492	44.7
93.07047	58.9
95.04982	21.5
95.08611	58.7
97.06544	20.1
97.10202	18.7
98.21526	2.6
98.97589	3.4
99.04466	2.1
99.08096	23.5
103.44965	2.0
105.07043	40.4
107.04984	4.5
107.08612	33.2
109.06532	11.7
109.10168	29.5
111.08086	44.7
113.09621	12.9
117.07008	11.4
119.08595	24.3
121.06513	5.2
121.10152	29.4
123.08091	13.2
123.11691	12.2
125.09612	17.0
129.03233	2.4
129.07007	7.2
131.08554	9.2
133.06519	2.5
133.10135	26.2
135.08072	5.5
135.11699	16.8
137.09636	12.2
137.13254	5.7
139.11194	10.0
141.12761	2.5
143.08556	5.6
145.10118	6.7
147.08043	2.6
147.11703	25.4
149.09605	7.7
149.13297	17.3
151.11206	32.5
153.12752	5.4
157.10118	5.6
159.11694	5.8
161.13234	14.7
163.11195	13.2
163.14838	4.7
165.12766	31.0
171.11671	4.9
173.13251	4.3
175.11201	5.8
175.14815	5.3
177.40459	2.2
179.14323	12.7
181.12234	4.3
185.13304	4.8
187.14644	2.5
189.11200	4.5
189.12785	2.4
193.15721	2.7
199.14769	3.1
203.77179	2.7
207.13794	3.8
211.07472	4.4
217.19563	3.0
221.15210	2.7
231.21159	6.8
239.07004	7.9
241.19501	10.6
249.22093	13.1
259.20572	21.5
277.21646	100.0
278.22342	2.3
295.06155	4.6
295.22696	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03945	5.5
54.52847	3.3
55.01657	4.5
55.01875	39.8
55.05516	57.8
57.03429	10.0
57.07069	15.8
67.05511	96.7
69.03426	10.2
69.07079	40.9
69.78076	7.2
69.78485	16.1
71.04992	6.3
71.08631	13.4
71.72021	3.0
79.05505	54.6
79.15456	3.2
81.03402	11.9
81.07062	100.0
83.04980	23.1
83.08621	29.8
85.06551	7.5
91.05489	46.6
93.07058	74.2
95.04981	20.2
95.08614	61.7
97.06524	13.2
97.10175	16.3
98.54372	3.7
99.08068	19.0
105.07035	41.8
106.70374	3.9
107.04996	3.4
107.08602	41.2
107.84893	3.5
108.48952	3.4
109.06528	14.4
109.10163	28.8
110.68679	3.5
111.08091	45.1
112.10743	3.1
113.09656	6.4
117.07025	6.4
119.08587	31.0
121.06511	7.1
121.10127	27.8
122.05788	3.9
123.08083	7.0
123.11723	10.1
125.09609	10.3
129.07018	4.7
131.08566	11.5
133.06488	13.6
133.10139	33.5
135.11700	15.1
137.05986	4.1
137.09650	7.6
137.13240	5.4
139.11180	12.9
145.10059	4.4
147.11699	18.1
149.09619	8.8
149.13297	20.0
151.11182	16.3
157.10168	11.6
159.11658	5.1
161.13283	11.2
163.11276	4.2
163.14735	4.0
165.12770	13.2
171.11659	4.3
171.53575	3.6
175.11166	5.5
175.14868	6.7
177.12640	4.9
179.14334	8.4
185.13310	7.7
193.12303	7.7
195.13826	5.0
207.14034	3.4
217.07452	4.5
221.15544	3.5
231.21008	4.6
241.19444	6.5
249.22145	5.9
259.20605	10.6
277.21661	76.2
295.05856	17.3
295.22781	68.5
313.17532	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	295.1291
Annotation	gamma-Glutamylphenylalanine
Peak:m/z	Relative Intensity
55.01859	1.2
56.05026	3.0
56.96556	2.8
57.03429	2.9
61.02929	0.9
67.05496	1.1
69.03429	9.9
69.07062	1.7
69.46207	2.3
69.46638	3.7
70.06583	2.3
71.05003	1.2
71.05386	0.7
72.08172	1.0
72.93788	2.9
73.02917	1.5
79.05496	17.3
81.03416	3.4
83.06093	2.3
83.08654	0.8
84.04509	73.9
84.08140	2.4
85.02911	11.3
86.09723	4.8
87.04477	2.2
88.76196	0.8
91.05486	12.1
92.05779	0.8
93.07058	1.0
93.65395	0.7
94.04034	0.9
95.04974	1.2
95.08638	0.8
97.02901	6.8
98.97585	4.5
99.04446	1.4
101.07140	1.2
102.05569	2.9
103.03921	1.1
103.05486	2.3
105.07042	2.9
106.06573	6.4
107.04961	100.0
107.08569	0.8
108.05329	1.5
109.02868	1.8
115.03945	4.8
116.07076	1.1
116.98624	1.8
119.04944	5.7
120.08122	2.4
121.02866	1.1
121.06494	1.7
127.03912	2.5
129.06635	2.2
129.10239	2.0
130.05009	34.7
131.04942	14.9
131.08646	0.9
132.10143	1.0
133.05003	4.8
133.06468	1.1
136.07585	31.0
138.09109	1.0
145.04956	3.5
147.04457	2.0
147.07701	3.5
148.07611	1.3
149.05992	36.8
150.07753	16.7
151.03891	1.3
158.99631	1.1
161.06010	1.8
164.99991	5.3
166.08656	26.5
177.00662	1.2
192.99376	1.1
195.02774	1.1
208.09755	0.9
231.06688	1.2
232.09634	4.1
233.21907	0.7
249.12381	1.8
277.11911	1.1
277.15421	1.1
278.10233	6.6
295.05981	4.1
295.09576	1.0
295.12863	11.3
295.16583	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	295.1027
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01871	5.8
55.05508	20.2
56.28609	2.0
56.96556	4.0
57.03441	43.6
57.07061	7.8
59.04996	6.2
60.95850	4.0
61.02919	10.4
67.05509	27.6
68.68773	2.2
69.03436	100.0
69.07074	87.0
69.54472	2.4
71.01358	6.2
71.04990	5.3
71.08636	2.6
71.55506	3.2
72.97417	2.7
73.02923	56.2
79.05489	14.2
81.03426	12.1
81.07062	30.9
83.04980	4.8
83.08613	11.1
85.02911	81.9
85.06538	5.4
87.04470	26.0
91.05472	7.0
93.07059	13.6
95.04982	3.0
95.08618	29.1
97.02293	4.2
97.02901	69.6
97.06529	6.3
97.10159	4.0
98.97575	4.9
99.04460	10.3
99.08070	3.2
102.96902	15.4
103.03943	8.0
105.07030	7.4
107.08599	15.0
109.02880	7.6
109.06493	3.3
109.10162	34.1
111.04382	2.7
111.08124	3.2
111.11711	23.9
113.06087	2.7
114.57491	2.7
114.96870	5.2
115.03166	4.6
115.03940	61.4
117.05465	2.6
119.05004	2.9
119.08594	8.3
120.97916	4.5
121.10139	9.7
123.08099	2.9
123.11725	14.3
125.09611	4.4
127.03889	17.0
132.97900	3.0
133.04977	38.7
133.10136	8.4
135.11708	6.0
137.13257	5.8
139.03911	2.7
139.11180	13.7
145.04976	22.5
147.11685	5.2
149.13281	5.3
151.07620	2.3
157.04977	3.0
157.12308	2.8
159.11539	3.0
161.13148	3.1
165.00531	2.6
169.04971	8.6
174.98950	2.9
175.14809	3.6
186.98959	2.7
193.00023	5.7
197.43806	2.5
241.07076	6.3
253.02261	4.7
274.63116	2.4
277.09030	7.6
277.25250	5.0
278.56177	2.3
295.06009	10.9
295.09232	4.0
295.15125	4.1
295.23209	3.1
295.26355	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	295.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.1
51.02400	0.2
53.00307	1.0
53.03954	0.2
55.01876	0.1
55.05512	0.1
55.76672	0.1
59.49170	0.1
65.03942	45.0
66.04289	0.1
67.05501	0.2
69.07053	0.1
69.16730	0.4
69.17151	0.3
70.64199	0.1
73.71821	0.1
75.03046	0.1
76.21968	0.0
77.03927	0.9
77.04331	0.1
77.07928	0.0
79.01844	0.5
79.05494	0.1
81.03434	0.1
81.07037	0.1
83.04985	1.5
83.05459	0.1
83.08640	0.1
83.66824	0.1
91.01861	0.1
91.05482	0.3
93.03407	20.2
94.03761	0.1
95.04964	0.4
95.08600	0.2
98.21328	0.3
103.05477	0.1
105.03400	1.5
105.04536	0.2
106.06555	0.2
107.01322	0.8
109.02874	0.1
115.05473	0.1
117.07001	0.1
121.06507	3.3
131.04913	0.1
133.02864	0.4
135.04401	0.2
135.08012	0.1
147.08038	1.2
148.12685	0.1
151.03911	0.3
160.08829	0.2
161.02316	2.4
165.06964	0.1
171.07991	0.1
173.09700	0.1
178.07829	0.1
179.03392	100.0
180.03745	0.7
181.03844	0.3
185.09628	0.1
187.03885	0.1
193.04877	0.1
195.08057	0.1
199.11349	0.1
200.25163	0.1
205.04895	0.3
220.06003	0.3
253.08597	0.4
277.08615	0.6
295.09644	4.9
313.10666	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2067
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
56.96547	0.3
57.07073	1.4
62.47813	0.2
67.05505	0.8
69.07043	0.2
69.59628	0.7
69.60031	0.8
71.08635	0.6
79.05497	1.2
81.07059	1.1
91.05470	0.8
94.04202	2.1
95.04947	0.3
95.08594	0.3
98.97546	0.3
107.08565	0.5
108.08908	0.3
109.06538	0.5
119.06068	0.3
122.03657	7.2
137.05988	100.0
138.06361	0.6
141.12781	2.0
154.18884	0.3
158.15428	1.1
170.15416	0.6
201.94046	0.3
276.20340	0.5
294.21039	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02406	0.3
55.01878	0.4
55.05512	0.5
56.96558	0.4
57.07072	0.6
58.02959	0.3
62.30787	0.3
66.04722	0.4
67.05515	1.3
69.07063	0.3
69.73790	0.2
70.66694	0.4
70.67008	0.4
74.24425	0.2
76.35733	0.2
79.05498	1.0
81.07067	2.3
83.61293	0.2
88.07639	0.2
91.05493	0.8
92.05800	0.3
93.07053	0.3
94.04179	2.6
95.08627	0.3
96.96185	0.2
97.10188	0.5
105.07040	0.4
107.04941	0.5
107.08605	0.4
108.17663	0.3
109.06516	0.7
122.03660	7.1
122.55578	0.2
123.11710	1.9
137.05988	100.0
138.06319	0.4
150.02197	0.3
158.15445	1.4
164.11606	0.3
170.15427	1.8
180.84631	0.2
276.20370	0.6
294.21133	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.284
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
52.06921	0.6
52.47529	0.5
53.03958	1.9
55.01881	1.1
55.05512	19.1
56.96564	6.8
57.03446	2.1
57.07079	10.6
65.03941	1.7
67.05508	31.9
69.03404	1.3
69.07072	33.8
69.20264	0.6
70.98121	1.1
71.05000	1.6
71.08641	4.5
71.34701	1.2
71.95258	1.6
72.17210	0.5
79.05494	12.1
81.03442	1.3
81.07061	100.0
82.07407	0.9
82.83459	0.6
83.04998	1.0
83.08624	18.8
84.96034	0.8
85.06541	8.2
85.10186	1.3
86.09703	0.6
91.05475	5.7
93.07047	16.9
95.04977	1.9
95.08611	84.7
96.08932	0.8
97.06551	2.9
97.10179	10.4
98.97587	25.5
99.04460	0.6
99.08090	4.8
99.91495	0.6
105.07038	4.4
107.04951	1.5
107.08601	16.0
109.06504	3.3
109.10163	49.3
111.08107	3.1
111.11752	5.3
113.09646	1.5
115.05377	0.6
116.98626	17.8
116.99451	1.0
117.07061	0.7
119.01965	0.7
119.08561	2.8
121.06528	0.9
121.10155	11.1
123.08082	1.7
123.11713	24.5
125.09652	2.0
125.13268	1.2
127.11185	0.8
129.07024	0.7
131.00217	0.9
131.08591	2.0
133.10133	2.9
134.99664	8.3
135.08092	0.8
135.11702	6.9
137.09601	1.3
137.13268	12.7
139.11179	1.2
140.00200	1.0
143.00179	1.0
145.10149	1.7
147.11685	1.9
149.01251	0.8
149.02310	1.3
149.09633	1.8
149.13261	10.1
151.11223	0.7
151.14832	8.4
153.00717	1.1
153.12727	1.1
157.10104	0.9
158.01244	0.8
159.11684	1.3
161.09673	0.9
161.13191	1.1
163.03964	1.3
163.14841	5.6
165.12851	0.7
165.16391	2.9
167.14339	1.1
169.10245	0.9
173.13271	1.6
177.00795	1.1
177.12762	0.6
177.16368	1.9
179.17915	2.3
187.14859	0.8
191.17955	1.3
201.12650	1.0
205.19458	1.1
213.09456	0.7
216.29329	0.6
219.21075	2.0
223.20642	0.8
269.05341	1.6
275.16364	0.8
275.19974	4.3
275.27289	3.7
293.03210	9.9
293.08084	1.3
293.13776	0.9
293.17322	2.0
293.21124	2.2
293.24951	1.1
293.28339	18.4
311.04044	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	293.2115
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03940	3.8
55.01861	2.6
55.05513	27.0
56.96566	7.9
57.03431	5.0
57.07077	6.8
59.04992	3.0
60.06724	0.9
65.03941	2.1
67.05508	33.5
69.03440	6.7
69.07072	26.5
69.43531	6.3
69.43945	1.7
71.05013	6.2
71.08617	1.5
73.06569	1.8
73.73889	1.1
79.05062	1.7
79.05499	21.3
79.80044	1.1
81.03413	3.1
81.07063	53.8
82.07376	1.1
83.04987	9.0
83.08624	11.4
84.96040	1.5
85.02895	3.9
85.06551	6.6
91.05482	14.8
91.99583	1.2
93.07049	27.3
95.04978	13.9
95.08617	43.2
97.02870	1.8
97.06542	6.4
97.10184	9.2
98.97596	9.3
98.98165	1.3
98.98455	1.1
99.04491	1.2
99.08098	4.6
100.02672	1.0
101.06030	8.6
103.32420	1.2
105.07028	16.1
107.04944	4.0
107.08611	25.0
109.06524	14.1
109.10161	32.4
111.08074	6.2
111.11730	2.5
113.06012	1.6
113.09599	1.8
116.98594	3.7
117.06993	2.6
119.04989	1.2
119.08599	12.9
121.02853	1.2
121.06528	10.7
121.10154	26.4
123.04440	29.2
123.08065	5.5
123.11720	16.5
125.05981	2.0
125.09634	7.9
127.03898	1.1
127.07545	2.9
128.98599	1.6
129.06987	1.7
130.07785	1.3
131.08577	10.0
133.10147	11.8
134.99689	1.4
135.08081	13.5
135.11705	13.0
137.05995	2.3
137.09610	5.1
137.13300	5.1
139.07526	2.3
139.11166	3.4
143.00172	1.7
143.08540	2.1
145.10112	8.3
147.08041	2.2
147.11694	9.3
149.01173	1.6
149.02356	22.4
149.06018	2.1
149.09662	9.3
149.13264	7.8
151.11195	4.7
151.14775	2.9
153.09090	4.5
153.12697	2.0
157.10196	2.5
158.10851	1.1
159.08038	1.7
159.11728	6.7
161.06000	2.5
161.09625	4.7
161.13292	3.3
163.07648	1.2
163.11179	4.3
163.14828	3.4
165.09052	1.8
165.12758	1.6
167.10715	3.0
169.10077	1.4
171.11710	1.3
173.09599	2.7
173.13303	7.1
175.07555	4.3
175.11172	3.3
175.14839	1.7
177.06950	1.7
177.09175	1.3
177.12703	2.1
177.16406	2.2
179.10674	12.0
181.06439	1.3
181.12233	1.9
183.11665	1.6
185.13278	1.4
187.11180	3.1
187.14784	4.0
189.12755	1.5
191.14307	6.0
193.12311	1.4
199.14902	2.4
201.12775	3.4
203.07059	5.6
205.12274	3.2
215.18033	1.7
219.01796	1.9
219.13766	4.0
229.19521	2.0
230.85968	1.1
233.06041	1.1
233.15312	2.6
233.18980	1.2
239.18030	1.4
247.20650	1.7
250.06125	1.2
251.04459	1.5
257.19067	6.0
269.05350	2.0
275.12802	1.0
275.20071	38.2
275.23233	1.9
275.27145	1.9
293.04248	14.5
293.08035	3.7
293.13800	3.7
293.17615	3.6
293.21118	100.0
293.28125	10.0
311.06583	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03945	5.3
55.01865	10.6
55.05511	26.5
57.03434	2.8
57.07087	4.1
58.96014	1.9
67.05506	42.1
68.45729	1.7
69.03432	2.8
69.07076	25.9
70.99524	3.9
71.04980	4.4
79.05494	47.2
81.03411	7.6
81.07062	73.3
83.04985	5.8
83.08624	17.0
85.06540	5.3
91.05479	31.5
93.06485	2.3
93.07051	40.2
95.04974	14.6
95.08612	36.0
97.06557	13.1
97.10199	10.4
98.97617	3.1
99.08138	2.0
105.07043	36.8
107.04987	8.8
107.08607	37.0
109.06520	16.5
109.10164	16.8
111.08080	6.3
116.98691	2.4
117.07064	10.4
119.08582	28.1
121.06503	4.0
121.10140	16.9
123.08067	9.1
123.11713	6.5
125.09635	10.9
129.07005	5.5
131.08589	16.5
133.10149	23.2
133.55923	1.8
135.08029	5.0
135.11684	8.8
137.09605	7.0
137.13225	2.7
143.08588	2.2
145.10115	15.5
147.08075	2.9
147.11688	16.7
149.09633	17.7
149.13319	2.2
151.11195	6.4
157.10144	5.7
159.11697	12.8
161.09634	2.4
161.13263	6.0
163.11215	11.9
165.09160	5.1
165.12732	3.8
169.10120	2.7
171.11725	4.8
173.09662	2.2
173.13271	6.5
177.12766	4.9
187.11194	4.2
187.14833	2.8
189.11221	4.3
189.12817	2.7
213.16319	2.0
229.19499	4.0
239.17984	8.1
247.20636	7.1
257.19016	16.5
275.20074	100.0
293.21088	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03939	2.7
55.01867	4.2
55.05519	12.3
56.96557	3.9
57.03451	1.6
57.07065	2.9
60.71923	1.3
60.86209	1.2
65.03933	2.1
67.05508	25.7
69.03428	2.2
69.07072	20.2
71.04983	2.9
71.08604	1.6
79.05497	16.6
81.07060	25.6
81.07816	1.3
83.04987	7.8
83.08607	5.0
85.06557	1.4
89.03915	1.6
91.05479	20.7
93.07047	25.6
93.54320	1.1
95.05003	8.6
95.08605	19.1
97.06524	5.1
97.10175	3.2
98.97572	4.9
105.07043	24.8
107.04950	7.3
107.08601	14.3
109.06538	9.2
109.10165	11.4
111.08087	1.8
116.98599	2.9
117.03338	1.2
117.07011	5.0
119.08588	11.6
121.06553	7.3
121.10139	9.3
123.08053	4.4
123.11699	4.7
125.09665	1.4
129.06969	1.5
131.08569	10.8
133.06432	1.4
133.10130	16.1
135.08055	4.1
135.11690	5.7
137.09572	1.6
143.08586	2.5
145.02875	2.1
145.06497	2.2
145.10139	10.1
147.08055	2.9
147.11697	11.6
149.09619	5.0
149.13278	2.0
151.11229	6.7
151.82236	1.4
157.10129	2.5
159.08011	1.5
159.11650	7.7
161.09618	3.1
161.13228	1.6
163.11153	5.2
169.10201	1.8
171.11693	2.2
173.02391	5.9
173.09631	2.9
173.13277	6.2
175.11192	3.5
177.05370	1.3
183.11676	2.0
185.13347	2.0
187.14842	2.9
191.03391	11.8
191.14334	3.0
197.13249	1.3
201.12733	3.8
207.13849	2.2
216.50710	1.4
219.13847	5.9
229.19482	1.9
237.11157	1.3
239.17931	4.5
247.20750	2.1
257.19043	14.6
275.20074	100.0
293.21109	34.7
311.06537	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.02351	1.5
53.03941	5.0
53.83149	1.3
55.01668	1.2
55.01877	12.3
55.05520	34.5
56.96566	8.5
57.03423	4.3
57.07060	4.1
59.04990	2.0
65.03941	3.2
67.05511	58.6
69.03425	4.4
69.06738	2.2
69.07079	31.0
70.15646	6.5
71.04987	4.4
71.95249	1.7
76.29104	1.2
79.05501	46.5
81.03429	10.2
81.07066	100.0
83.04968	5.6
83.08627	19.1
85.02894	2.1
85.06538	5.4
91.05495	34.7
93.07051	38.0
95.04978	16.6
95.08615	53.2
96.34890	1.5
96.72704	1.3
97.06533	15.2
97.10179	16.6
97.18802	1.5
98.97594	19.2
99.08112	3.9
99.24612	1.3
105.04515	1.4
105.07040	39.4
107.04966	12.0
107.08609	43.9
109.06535	19.6
109.10165	26.9
111.08088	4.9
111.11668	1.8
116.98627	10.9
117.07060	9.7
119.01907	2.8
119.04982	1.6
119.08592	24.4
121.06561	6.9
121.10159	18.8
123.08068	8.1
123.11713	13.8
125.09638	11.6
127.11182	2.0
129.07011	4.0
131.00172	1.5
131.08575	15.8
133.06473	1.8
133.10141	24.5
134.99640	4.7
135.08047	6.0
135.11711	9.1
137.09648	6.6
137.13239	4.3
139.11198	1.8
143.00169	2.4
145.06561	2.2
145.10126	14.8
147.11710	14.6
149.01225	2.4
149.09636	18.0
149.13290	6.8
151.11176	8.9
151.14880	1.4
153.12727	1.8
155.08521	2.4
157.10155	3.9
157.56952	1.9
159.11722	11.5
161.09586	2.7
161.13246	4.4
163.11217	12.2
163.14806	2.3
165.09131	6.6
165.12816	3.5
169.10141	2.7
171.11679	3.8
173.09613	2.5
173.13339	8.7
175.11200	3.3
175.14789	1.7
177.00694	1.4
177.12723	4.2
183.11684	3.1
185.13243	1.5
187.11176	3.5
187.14915	2.4
189.11205	4.2
189.12830	2.5
190.51810	1.5
201.12837	2.0
201.16483	1.8
205.06427	1.6
207.13902	1.6
215.14322	2.5
215.17952	3.1
229.19551	4.4
233.06163	1.4
239.17914	4.8
247.20624	5.5
251.11295	1.6
257.19031	12.6
269.05515	2.9
275.20090	93.9
293.03357	4.9
293.08167	2.2
293.17679	3.0
293.21143	35.3
293.28250	4.7
294.36050	1.4
311.07047	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2114
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03955	5.3
55.01873	10.7
55.05268	2.9
55.05517	40.3
55.22064	2.0
56.96567	11.3
57.03434	6.0
57.07071	5.9
60.15293	2.0
65.03939	3.1
67.05510	59.6
69.03426	7.3
69.06733	2.9
69.07078	41.8
70.72432	6.5
71.05002	6.9
74.73355	2.2
77.65780	2.4
79.05070	2.6
79.05502	42.8
81.03432	8.0
81.07066	96.1
82.73818	2.3
83.04982	6.7
83.08642	20.5
84.04500	3.7
85.02913	4.2
85.06533	7.2
91.05489	36.3
93.07051	54.0
95.04982	23.1
95.08617	58.7
97.06535	16.6
97.10174	20.8
98.97590	19.4
99.08089	4.7
105.07044	46.4
107.04973	13.0
107.08605	41.7
109.06539	27.4
109.10166	39.6
110.97552	2.5
111.08095	6.3
116.22693	1.9
116.98627	5.5
117.07026	13.9
119.08589	32.0
121.06516	9.0
121.10146	31.4
123.04428	5.2
123.08086	13.2
123.11745	14.4
125.09648	13.4
127.03932	2.6
128.98538	2.2
129.07021	2.8
131.08565	19.6
133.06491	3.6
133.10152	33.6
134.99678	2.5
135.08031	10.4
135.11682	12.7
137.09621	9.2
137.13257	8.5
139.11182	4.8
141.06935	2.7
143.00217	3.5
143.08571	4.5
145.10153	15.6
145.84915	2.3
147.08145	3.1
147.11717	21.9
149.09637	21.3
149.13269	12.7
151.11160	10.9
157.10199	7.3
158.99646	2.9
159.11769	14.3
159.40944	2.2
161.09631	8.0
161.13264	8.9
163.11256	13.5
163.14835	4.8
165.09145	6.3
165.12724	5.1
169.10205	3.5
171.11688	4.7
173.09651	3.4
173.13258	6.8
175.11200	4.3
175.14827	3.3
177.00681	2.3
177.06990	2.5
177.12758	8.6
179.10732	3.2
181.12170	2.5
183.11797	2.4
185.16341	2.4
187.14810	5.9
189.11205	2.6
189.12788	4.3
191.14326	5.6
201.12721	3.0
205.06558	3.1
205.12137	2.6
215.17929	2.4
219.01862	2.9
219.13954	4.0
222.06781	4.2
223.13326	5.2
229.19507	9.3
233.06073	4.2
237.14874	5.5
239.17935	7.1
247.20584	7.8
250.06235	6.0
251.04477	5.5
257.19031	16.7
257.21851	2.4
265.08810	2.6
275.20096	100.0
275.36243	2.8
278.05899	3.7
293.08246	15.6
293.14023	2.6
293.17386	6.7
293.21140	83.9
293.24634	5.4
293.28159	5.6
311.06525	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.20722	1.2
53.03953	7.0
54.67916	1.1
55.01880	7.4
55.05303	1.4
55.05520	15.9
56.96571	7.4
57.03446	2.5
57.07079	2.7
60.86378	1.5
65.03957	2.3
65.29665	1.2
67.05512	34.9
67.39100	1.3
69.03442	1.9
69.07077	18.9
70.13058	3.8
71.04986	4.0
71.08638	1.4
79.05061	2.5
79.05501	38.1
81.03426	9.0
81.07066	100.0
83.04995	8.3
83.08630	15.9
85.06541	2.7
91.05489	24.3
93.07052	22.6
95.04975	16.6
95.08609	22.6
97.06529	7.7
97.10178	3.9
97.96873	1.8
98.20821	1.6
98.97601	7.6
99.08138	1.4
105.07040	25.2
107.04961	11.5
107.08599	17.4
109.06538	43.3
109.10162	9.6
111.08088	5.6
116.98649	4.2
117.07008	6.7
119.08601	20.2
121.06499	5.0
121.10179	11.6
123.08107	9.2
123.11697	3.2
125.09651	1.3
128.98616	1.7
129.07008	3.5
130.07834	1.5
131.08606	9.3
133.06494	2.1
133.10132	18.3
134.99670	2.0
135.08089	5.0
135.11710	5.3
137.09634	4.4
141.07056	1.3
143.08583	1.9
145.06468	2.1
145.10141	10.7
147.08022	1.5
147.11714	14.3
149.09651	11.0
149.13257	4.6
151.07614	1.3
151.11209	4.1
153.42439	1.5
155.08542	2.1
157.10146	4.8
159.11697	7.0
161.09627	2.2
161.13274	3.0
163.11212	9.8
163.14873	3.1
165.12762	3.7
171.11674	1.4
173.09644	2.8
173.13300	5.0
175.11220	4.5
177.12708	2.1
185.13261	1.5
187.14839	2.5
191.10767	1.6
191.14304	2.0
193.12312	3.1
201.12740	2.3
209.11841	1.7
229.19560	2.0
239.18031	3.7
247.20703	6.6
251.04446	3.8
257.19006	7.2
264.34756	1.4
269.05441	4.8
275.20087	51.0
292.64584	1.6
293.05713	3.0
293.17853	1.8
293.21106	35.6
311.06519	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	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
52.05314	2.2
53.03924	8.0
55.01875	19.2
55.05269	3.7
55.05514	39.2
56.96544	5.6
57.03440	6.1
57.07073	20.1
57.92975	2.0
65.03927	3.3
67.05507	76.2
69.03438	5.0
69.07071	33.3
70.71795	2.9
70.72118	4.8
71.04996	11.5
71.08639	2.6
71.65787	2.0
79.05499	52.4
81.03425	24.8
81.06583	3.8
81.07062	74.3
83.05009	11.9
83.08626	21.5
83.48618	2.2
85.06545	14.9
85.10168	2.6
91.05487	46.0
93.07047	47.1
95.04974	39.5
95.08605	45.1
97.02852	3.3
97.06522	10.7
97.10172	7.7
98.97559	9.6
99.04449	3.1
99.08095	5.1
103.90707	2.1
105.07032	40.0
107.04946	19.8
107.08603	32.8
109.06515	13.7
109.10165	35.9
111.04446	17.6
111.08082	8.5
112.81567	2.2
113.05969	2.5
113.09658	4.5
116.98606	4.0
117.07030	16.0
119.08596	26.6
121.06501	8.5
121.10160	22.0
123.04456	5.6
123.08067	21.5
123.11695	7.8
125.09621	7.8
127.07491	2.6
129.07037	4.1
131.08586	14.2
133.06497	2.8
133.10150	34.8
135.08073	8.9
135.11687	12.0
137.08560	2.8
137.09622	57.3
137.13229	2.5
141.06958	2.5
143.08563	3.2
145.10129	18.0
147.11711	13.4
149.09570	13.7
149.13228	4.7
151.11180	22.3
153.12741	2.9
154.42062	2.6
157.10120	4.5
159.11710	9.0
161.09607	3.1
161.13229	4.8
163.03845	2.6
163.11185	15.9
163.14853	3.3
165.07259	2.4
165.09164	8.7
165.12769	5.5
167.10687	4.3
169.12283	2.9
173.02383	4.0
173.09622	2.7
173.13252	7.9
177.12756	7.0
181.12288	2.5
183.11749	3.6
187.11140	5.1
187.14890	2.9
191.03485	10.7
191.14304	5.6
201.12701	3.1
205.12296	3.2
209.11786	6.3
219.02867	2.7
229.19521	8.4
233.15594	2.7
233.18770	2.8
237.11214	8.8
239.17998	5.1
243.93369	2.2
247.07643	4.5
247.20575	13.5
257.19000	9.2
265.21683	3.0
275.20062	74.2
293.08334	3.9
293.11652	5.0
293.21127	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03935	5.4
53.63529	2.6
55.01868	15.0
55.05511	68.1
57.03440	3.3
57.07085	3.0
61.49459	2.5
65.03941	3.9
67.05176	3.5
67.05508	49.4
69.03441	3.2
69.07074	13.4
69.86641	12.5
71.04993	4.8
79.05493	95.6
81.03426	4.1
81.07062	38.1
83.04964	13.5
83.08627	22.5
91.05487	29.7
93.07048	45.3
95.04973	7.0
95.08613	16.3
97.06528	9.8
97.10179	26.1
98.21445	3.0
98.97565	2.5
105.07036	34.9
107.04957	46.9
107.08595	70.0
109.06516	4.4
109.10164	21.2
111.08098	5.1
117.07020	10.4
119.08589	18.3
121.06533	5.8
121.10146	18.4
123.08115	3.9
123.11692	9.2
125.09634	39.1
131.08537	14.3
133.10132	20.4
135.08066	10.6
135.11725	2.5
145.10092	11.9
147.11664	15.5
149.08401	4.9
149.09619	88.9
149.13350	2.7
153.09093	6.6
153.39355	2.3
159.11719	10.5
161.13289	4.3
163.11139	4.3
163.14803	2.9
169.12250	7.5
171.10207	5.6
173.11795	2.7
173.13231	7.1
187.11171	5.3
189.11224	25.2
197.13303	3.8
209.15390	4.7
215.17950	2.6
224.78264	2.5
229.19553	9.6
233.15363	3.6
239.18021	3.9
246.80998	2.8
257.18997	25.3
275.20074	100.0
293.21060	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03941	3.9
55.01860	8.0
55.05518	27.4
57.03422	6.4
61.22756	1.9
61.88941	2.0
67.05506	49.9
69.03410	3.5
69.07073	25.2
69.93197	7.4
71.04980	6.0
74.51757	2.2
79.05074	2.8
79.05497	43.9
81.03402	7.3
81.07059	100.0
83.04987	6.5
83.08615	13.9
84.73135	2.1
85.06524	3.1
87.54951	1.7
91.04976	3.2
91.05489	38.3
93.07050	34.6
95.04974	23.0
95.08612	35.1
97.06528	8.4
97.10139	5.5
98.20745	2.9
98.97588	3.5
99.08077	3.3
105.04531	2.0
105.07034	38.9
107.04983	10.8
107.08596	24.8
109.06522	31.4
109.10159	15.9
111.08083	8.3
116.98533	2.9
117.07004	9.5
119.08592	33.2
121.06490	4.5
121.10170	15.9
123.08075	19.3
123.11690	7.4
125.09592	3.9
129.07002	4.1
131.08586	10.8
133.10141	21.7
134.57936	2.0
135.08061	8.5
135.11693	6.9
137.05937	3.0
137.09605	8.9
143.08543	2.7
144.04671	2.1
145.10114	13.1
147.08061	2.5
147.11700	21.7
149.09628	12.2
149.13246	4.3
151.11186	6.1
157.10147	4.4
159.11667	8.9
161.13254	5.1
163.11172	6.4
165.12730	2.4
171.11676	4.9
173.13306	6.2
177.12695	2.3
183.11601	4.2
187.14975	2.9
193.12228	2.8
229.19418	3.9
239.17917	5.2
247.20590	5.5
257.18985	8.8
266.88599	2.1
275.20062	74.4
293.21097	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03948	4.2
55.01876	13.7
55.05516	34.0
56.96571	17.0
57.07080	3.9
62.42989	2.4
65.94969	2.5
67.05512	36.2
69.07082	21.0
71.05003	5.0
71.54645	4.3
74.14362	2.7
77.53064	2.7
79.05499	50.5
81.03412	6.8
81.07066	41.3
83.04980	9.4
83.08624	13.3
91.05496	32.7
93.07046	25.3
95.04989	9.9
95.08615	21.5
97.06544	11.8
97.10187	21.7
98.20865	3.4
98.97588	18.8
105.07037	36.6
107.04974	10.9
107.08606	100.0
109.06545	6.5
109.10172	12.6
111.08107	3.3
116.98645	11.1
117.07050	7.8
119.06074	2.9
119.08594	20.6
121.10165	10.7
123.08120	6.4
125.09639	15.6
128.98636	3.2
129.06993	4.2
131.08592	14.6
133.10146	20.0
134.99643	5.3
135.08040	5.3
135.11717	6.3
137.09599	7.2
145.10139	12.5
147.11697	16.8
149.09653	22.0
151.11235	5.2
158.32153	3.0
159.11711	7.4
161.01274	2.7
161.13333	3.6
163.11243	5.5
164.56534	2.7
171.11699	3.9
173.13440	2.5
175.11208	3.4
177.00681	2.6
181.12341	3.4
189.11279	16.3
197.13432	2.9
220.08975	2.6
239.17834	3.5
247.20659	3.1
251.04456	3.6
257.19012	10.1
267.09061	3.1
269.05557	6.5
275.20096	80.1
293.17996	4.4
293.21109	25.6
293.27841	6.9
311.06696	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	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03944	24.7
55.01879	28.5
55.05512	33.3
56.96560	18.3
57.03431	4.5
57.07075	9.4
67.05511	80.2
69.07074	54.2
69.54526	26.8
71.04970	5.7
75.08027	3.7
79.05499	56.7
81.03421	52.7
81.06585	6.0
81.07059	100.0
83.04980	16.0
83.08627	15.7
85.02861	4.2
91.04963	6.5
91.05488	70.1
91.31372	4.0
93.07052	50.1
95.01348	4.3
95.04974	29.2
95.08613	66.9
97.06537	31.8
97.10175	6.0
98.21509	4.3
98.97604	7.7
99.08070	6.2
102.93388	4.0
105.07037	83.4
107.04955	33.9
107.08601	25.5
109.02883	5.4
109.06527	10.5
109.10185	21.9
111.04475	8.1
111.08098	4.9
111.37486	4.1
114.08607	3.7
116.98621	4.8
117.07015	20.5
119.08598	41.6
121.06466	7.7
121.10180	20.4
123.08070	10.5
123.11706	7.3
125.09631	12.1
131.00183	11.4
131.08592	25.6
133.10136	50.5
134.90450	3.7
135.08066	7.7
135.11696	13.6
137.09631	8.3
137.13190	4.6
145.02837	6.9
145.06450	5.1
145.10109	22.9
147.11742	11.2
149.01289	33.6
149.09639	10.8
149.13271	7.8
151.11172	5.3
155.07024	3.8
157.10109	4.9
159.11699	22.2
161.13329	6.8
163.11198	9.2
163.14796	4.1
165.09125	6.1
166.67358	3.8
167.02309	7.7
169.10210	10.1
173.02406	19.2
173.13303	8.7
177.12712	11.9
179.14319	13.1
181.05026	4.6
182.38550	4.5
187.11169	10.4
191.03441	43.1
191.10747	6.9
209.11678	6.3
219.17331	5.2
229.19518	6.1
237.11287	16.5
238.73520	4.8
239.18042	4.5
247.20563	4.7
257.19083	5.3
275.20062	64.5
280.16479	3.8
293.05356	9.5
293.21173	64.7
311.06500	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	293.2113
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03947	0.7
55.01874	2.5
55.05314	0.4
55.05517	4.0
56.96560	1.1
57.06828	0.6
57.07079	7.0
65.03951	0.7
67.05508	6.3
68.24283	0.4
69.03418	0.7
69.07076	4.1
70.12883	1.7
71.01356	0.6
71.05022	0.4
71.08624	1.2
77.23952	0.4
79.05494	4.2
81.03406	1.4
81.07066	5.2
83.04980	1.6
83.08613	1.8
85.06541	0.6
88.66166	0.4
89.53082	0.4
91.05495	3.1
93.07047	4.1
95.04978	7.2
95.08609	2.6
97.02890	0.4
97.06526	0.9
97.10189	0.9
98.20815	0.5
98.97601	1.8
99.08104	0.9
105.07051	2.8
107.04958	4.6
107.08623	2.4
108.05737	1.6
109.02874	0.6
109.06519	2.2
109.10154	1.6
111.04458	3.7
111.08044	0.8
116.98631	1.4
117.07056	1.2
119.08582	1.4
121.06519	7.7
121.10164	2.1
123.08084	1.3
125.02335	0.5
125.05995	1.9
125.09646	1.2
129.05473	0.5
131.08580	1.7
133.06447	0.7
133.10121	1.1
135.04431	0.8
135.08049	1.4
135.11713	0.6
137.09613	1.1
138.60728	0.5
145.10129	1.1
147.04521	0.4
149.01239	0.5
149.02351	0.4
149.09592	1.2
151.11195	1.9
153.05455	2.6
159.11803	0.6
161.01324	0.5
163.03944	1.0
163.11224	1.6
164.11995	1.8
165.12756	1.1
167.10727	0.8
168.43138	0.4
169.80266	0.4
177.09146	0.5
177.12759	1.6
181.04961	3.5
181.12286	0.8
191.10686	4.7
195.10205	2.5
197.77475	0.4
209.11742	8.8
219.10257	1.6
223.13293	1.0
231.10771	0.8
237.11243	18.2
237.14944	1.6
251.04536	0.5
251.19142	1.2
257.19034	0.5
265.18039	0.7
269.05545	1.3
275.20148	2.8
293.21136	100.0
294.21497	1.1
311.06818	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52607	0.2
53.03944	0.7
55.01872	9.5
55.05514	28.0
57.98800	0.3
58.99291	0.3
58.99584	6.2
58.99868	0.4
61.01160	0.5
67.05496	0.2
69.07053	0.3
70.02973	0.3
70.06604	0.3
71.54919	0.3
72.04522	3.7
73.01161	1.0
73.02924	1.1
74.76686	0.2
75.02715	0.3
76.02237	2.9
79.05483	0.4
81.07059	0.9
83.08624	19.8
84.08142	0.2
85.01134	0.7
85.77449	0.2
86.09721	0.2
86.99055	6.1
87.02720	0.3
88.02228	2.9
90.05564	2.5
98.09696	0.2
98.97582	0.4
99.02704	0.3
101.09655	0.3
103.02180	0.2
104.01698	19.9
107.08591	0.5
107.34573	0.2
110.06036	0.5
115.05782	0.3
116.01684	34.9
126.05512	0.9
129.07361	0.8
130.03227	0.5
134.08185	0.2
138.64432	0.2
141.07347	0.2
144.06595	2.4
158.02719	100.0
159.03017	0.6
159.08403	7.2
170.99765	0.2
175.05357	0.3
175.27107	0.2
176.03775	70.5
176.94461	0.2
184.13539	0.2
193.06451	0.4
227.20187	0.2
258.11743	1.3
275.12286	0.3
276.12656	21.4
293.07980	0.3
293.15311	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	293.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07248	0.2
53.03946	0.5
55.01872	8.7
55.05514	25.3
56.96564	0.4
58.99586	6.1
59.37767	0.2
61.01147	0.7
67.05513	0.5
69.07076	0.3
69.44209	0.2
69.68225	1.1
70.02961	0.2
70.06583	0.3
72.04516	3.5
73.01140	1.2
73.02919	1.3
75.02711	0.3
76.02231	2.9
77.33271	0.2
79.05489	0.5
81.07058	1.1
83.08621	20.5
84.04527	0.4
85.01129	0.6
86.99054	6.1
88.02220	2.0
90.05555	2.8
91.05489	0.7
93.07097	0.4
95.08617	0.4
98.97587	0.4
99.02686	0.5
101.09674	0.3
104.01698	20.4
105.07056	0.4
107.04933	0.3
107.08595	0.9
113.04209	0.4
115.05830	0.4
116.01683	34.7
116.98586	0.3
119.01933	0.4
119.04912	0.2
119.08582	0.6
120.08168	0.3
122.02748	0.4
126.05511	0.7
129.07329	0.5
130.03226	0.5
133.10126	0.8
135.11714	0.4
141.07306	0.4
143.01932	0.8
144.06583	1.5
147.04407	0.7
154.34074	0.2
158.02716	100.0
159.02985	0.3
159.08405	7.1
161.02933	0.6
173.06187	0.3
175.05420	0.4
175.14859	0.5
176.03777	69.3
193.06493	0.4
198.09975	1.1
198.60152	0.3
206.59038	0.2
207.60910	0.3
247.04994	0.3
258.11612	0.9
275.12500	0.8
276.12659	22.4
291.86267	0.2
293.07990	0.5
293.15375	3.5
311.06274	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65277	0.5
53.03950	0.7
55.01622	0.9
55.01875	10.3
55.05517	28.0
56.96554	1.5
58.99589	6.2
61.01167	0.7
69.07073	1.0
70.06586	1.4
71.06436	1.2
72.04527	3.9
73.01141	1.0
73.02918	1.8
76.02236	2.7
79.05505	0.6
81.07056	1.3
83.08627	21.6
84.08144	0.9
84.96009	0.6
86.09693	0.8
86.99055	7.1
88.02219	2.5
90.05547	3.3
91.05478	0.7
98.97567	2.1
104.00999	1.0
104.01701	21.7
105.74626	0.6
107.08570	0.8
109.06548	0.6
116.01686	38.5
116.07103	0.8
116.98615	0.9
120.08100	1.5
123.04411	1.0
124.04733	0.9
126.05508	1.0
129.07356	1.2
130.42198	0.6
139.03928	1.1
140.04213	0.7
141.04433	0.8
144.06543	2.5
147.04462	1.6
158.02727	100.0
159.08398	7.8
176.03784	69.9
177.04135	1.0
209.88435	0.7
219.14967	1.3
229.13370	0.6
247.14435	3.4
251.04599	0.9
251.07231	0.6
257.13123	0.9
258.11517	1.0
269.05548	0.9
275.13998	4.1
276.12659	22.1
287.06503	0.9
293.14987	7.8
311.06561	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62753	0.8
52.75868	0.7
55.01666	0.7
55.01880	8.0
55.05519	29.7
58.99583	5.8
68.37519	0.6
68.98016	0.7
69.17010	0.7
69.70116	2.4
69.70545	2.2
70.93679	0.7
72.04543	3.6
73.01147	1.6
73.02909	1.0
76.02220	2.4
81.74271	0.7
83.08146	1.3
83.08627	19.3
86.99058	4.9
88.02209	2.1
90.05560	1.6
104.01701	16.1
116.01686	34.4
122.05998	0.9
142.76315	0.8
144.06624	1.4
158.02733	100.0
159.08424	7.3
176.03790	70.0
176.05417	1.5
258.11496	0.8
276.12677	19.4
293.15335	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	293.1386
Annotation	40321-98-0
Peak:m/z	Relative Intensity
53.03955	2.1
55.01862	0.6
55.05518	26.0
56.96568	1.6
57.03424	0.6
57.07067	0.6
58.33128	0.4
65.03951	1.7
67.05503	2.6
67.48267	0.4
69.03443	0.9
69.07092	2.0
70.54062	0.7
70.54417	1.3
71.04990	0.8
73.06564	8.4
79.05502	1.8
81.03410	0.6
81.07066	3.8
83.04987	0.4
83.41270	0.4
85.06541	0.5
86.20890	0.5
91.05475	3.5
93.03395	0.4
93.07057	2.7
93.56319	0.4
95.04984	0.7
95.08602	3.2
97.02893	0.4
97.10197	0.5
98.08526	0.4
98.97610	1.6
98.98481	0.5
102.48573	0.5
105.03398	0.4
105.07023	1.8
107.08605	1.8
109.10146	2.1
110.03643	0.4
111.08097	0.5
116.06264	0.6
116.98629	0.9
117.07091	0.5
119.08594	1.6
121.02872	6.6
121.03799	0.7
121.04016	0.6
121.10168	1.4
123.08095	0.6
123.11716	0.8
125.09635	0.7
129.07010	3.9
131.08574	3.0
133.06561	0.6
133.10136	1.4
135.11690	0.5
136.11319	0.5
143.04930	1.1
145.10133	0.9
147.08032	0.6
147.11673	0.8
149.02357	100.0
150.02757	0.8
157.06490	1.3
159.11687	0.9
161.05998	6.0
161.09587	0.5
167.03450	0.8
173.13211	0.6
175.07568	18.1
185.05911	0.6
203.07047	21.3
221.08078	0.7
233.09605	0.5
265.08542	0.8
269.05539	0.6
274.53726	0.5
275.12924	3.2
275.20206	1.1
285.32462	0.5
293.08084	1.7
293.14124	2.8
293.17377	0.8
293.21622	1.0
293.24957	0.9
311.06207	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84366	6.6
56.96560	21.8
69.61709	35.7
84.95992	13.3
94.58965	7.0
97.96806	8.0
98.21240	22.3
98.97599	56.0
101.00876	15.6
116.98618	19.5
119.01931	10.0
124.99136	10.7
129.60243	6.0
131.00206	9.3
140.03084	5.7
141.25061	5.8
143.00156	16.1
143.01917	24.1
156.61273	6.4
157.01701	8.2
158.99768	6.9
161.02940	36.4
173.03029	10.1
184.54877	6.0
185.03017	7.2
203.03979	15.2
228.99876	6.8
230.63773	5.9
251.04410	24.9
263.21899	6.3
269.05405	45.2
293.06198	100.0
293.09045	7.4
311.06506	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	293.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
56.96571	45.1
69.03436	2.5
70.98122	5.7
71.07357	2.7
71.95264	4.5
77.00921	1.9
81.03390	1.9
81.19383	1.4
84.96042	22.6
85.02894	3.4
97.02877	2.2
97.96815	16.1
98.97592	100.0
101.00893	17.4
103.00665	1.9
109.02885	2.9
110.97572	16.3
112.99142	10.4
113.00872	2.8
115.97812	2.6
116.98631	36.3
119.01925	21.7
123.98389	2.3
124.99113	15.3
128.98648	9.1
131.00194	18.7
131.01883	4.7
134.99684	9.1
139.00629	3.5
140.00214	1.9
140.98613	6.5
141.99359	4.9
143.00204	27.2
143.01904	23.7
145.03473	4.1
149.01207	5.5
153.00722	1.9
155.00200	5.9
155.01906	5.2
157.01775	8.9
157.03458	4.0
158.99663	10.1
159.01312	1.7
160.00446	2.3
161.01247	12.1
161.02972	42.9
162.72340	1.6
170.99710	2.9
173.01236	11.2
173.02977	7.4
175.02774	4.5
175.04491	3.5
177.00754	7.2
177.02429	3.9
179.02307	1.7
181.98869	2.2
182.99640	3.9
184.04454	1.8
185.02951	3.1
189.00653	2.3
191.00598	1.9
191.02231	7.4
191.03906	3.1
199.99918	3.5
200.51939	1.6
201.00722	6.3
203.04007	10.4
215.04149	1.7
219.01781	10.9
233.03369	7.0
235.06709	2.9
237.02861	6.3
247.02924	2.3
251.04417	55.6
253.07590	1.9
263.06091	1.7
269.05472	78.4
276.35950	1.6
287.06546	11.1
293.05371	47.0
293.11087	2.0
311.06516	89.2
313.07101	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37854	0.5
52.53447	0.6
54.47643	0.6
58.99855	1.8
60.58079	0.5
70.99854	2.9
71.53870	0.6
77.00915	4.8
82.99828	4.6
89.00903	4.0
95.01936	1.3
98.20809	0.6
101.00890	51.7
102.00980	0.8
107.01958	0.9
112.35110	0.5
113.00079	0.5
113.00854	2.3
115.02469	0.7
117.00298	0.7
119.01930	66.6
120.02030	0.8
124.02475	0.7
131.01913	6.0
133.03448	0.6
135.01428	3.4
137.02956	6.3
138.05490	0.6
142.03543	0.7
143.01913	43.2
144.99788	0.9
145.03482	1.1
147.01396	0.9
149.02951	0.7
153.02487	2.0
156.97517	0.7
157.03497	1.0
159.01392	6.1
161.02969	100.0
162.03151	0.9
171.01355	0.7
172.99446	0.9
175.00912	1.5
175.04588	1.1
177.02467	18.0
177.03983	1.1
178.99239	1.2
179.04036	1.7
184.04582	2.4
185.02916	1.4
187.00882	2.1
191.00423	8.9
195.03587	0.7
196.95541	0.9
203.04021	1.1
205.01945	3.5
209.01511	0.7
217.01865	0.8
218.92993	0.6
226.96457	0.9
232.54405	0.7
233.01407	3.4
236.93750	1.4
237.93672	0.6
240.98042	0.6
247.03030	10.0
250.95541	0.9
255.30585	0.6
268.96643	1.4
293.03534	5.2
311.04663	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	291.2684
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
50.18149	1.4
51.17596	1.3
53.03930	4.6
55.01865	2.0
55.05270	1.6
55.05516	24.8
55.67513	1.3
56.96563	2.6
57.03428	1.5
57.07078	13.3
61.47087	1.3
67.05177	2.1
67.05511	33.4
69.03434	2.8
69.07074	44.7
69.39819	3.1
69.40223	10.4
71.04987	2.7
71.08640	6.6
79.05496	24.8
81.03436	1.7
81.07062	100.0
83.04954	2.7
83.08627	18.0
85.06543	7.8
87.06976	1.4
91.05491	15.1
93.07047	61.3
93.07635	3.3
95.04972	5.7
95.08614	85.4
97.06540	3.0
97.10187	11.7
98.97578	4.5
99.08083	4.7
105.07029	23.1
107.04951	2.8
107.08601	58.4
109.03848	1.3
109.06496	4.2
109.10168	42.2
111.08067	3.7
111.11700	5.3
115.53060	1.5
117.07026	2.6
119.08592	18.3
121.10148	38.6
123.04410	3.3
123.08090	3.4
123.11706	24.1
125.13258	1.7
126.28896	1.5
131.08585	1.9
133.10130	13.7
135.08060	1.8
135.11703	30.0
137.09598	1.5
137.13309	8.0
139.03909	4.0
145.10120	2.6
147.11699	12.7
149.09578	2.3
149.13272	54.9
151.14793	3.8
159.11690	1.6
161.13297	10.2
163.14838	20.5
165.05547	1.4
165.12776	4.5
165.16380	1.8
167.14426	1.3
175.14839	4.5
177.16365	10.2
179.14232	2.3
181.15910	1.6
189.00737	1.4
189.16393	4.9
191.18007	4.5
203.17984	3.1
217.16011	2.2
217.19502	4.6
230.91833	1.6
231.21112	2.0
235.20670	2.6
237.23784	1.4
273.18460	2.8
273.25772	16.6
289.95334	1.3
291.16116	1.7
291.19632	4.8
291.26855	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	291.2683
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03932	3.2
55.01863	2.4
55.05512	25.3
57.07060	9.2
59.05001	2.6
60.03804	2.2
61.08280	2.2
65.03967	3.0
66.95179	2.5
67.05178	2.6
67.05508	31.8
69.03407	4.2
69.06733	3.7
69.07076	50.7
69.58395	11.3
71.04982	6.2
71.08595	2.7
71.60626	2.1
77.67110	2.2
79.05495	21.4
81.06589	3.2
81.07061	64.4
82.60952	2.4
83.08629	19.8
85.06538	3.4
91.05495	14.8
93.07048	32.9
95.04991	2.8
95.08611	78.3
97.06543	3.8
97.10176	12.2
97.93148	2.1
99.08078	3.4
103.18987	2.4
105.07055	16.0
107.08597	39.0
109.06512	5.2
109.10165	48.2
111.08073	5.4
111.11704	5.4
111.69230	2.3
117.07005	3.6
119.08564	11.3
121.10155	28.9
123.11723	30.9
125.09612	3.4
131.08594	4.1
133.06488	4.2
133.10124	9.6
134.07306	5.2
135.07985	4.9
135.11694	18.4
137.13254	13.9
139.11189	4.9
147.07997	5.2
147.11641	8.6
149.13274	21.9
151.14848	6.0
153.12700	2.4
161.13277	5.0
163.14850	14.0
165.16432	3.0
167.03426	3.9
175.14796	2.7
177.16380	8.2
189.16412	6.8
191.17964	9.3
203.17990	9.1
217.19571	7.2
223.13165	3.2
235.16701	2.5
249.14902	6.2
273.14960	2.7
273.18579	2.6
273.25861	17.0
291.19589	87.5
291.26822	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2683
Annotation	Arachidonyl alcohol
Peak:m/z	Relative Intensity
52.64029	2.3
52.66707	2.8
53.03939	3.6
55.05521	17.5
57.07078	13.7
67.05505	31.5
69.03432	2.7
69.06683	2.7
69.07062	45.6
71.04993	5.3
71.08616	6.3
71.54912	2.7
76.40543	2.4
79.05509	16.6
81.07063	81.1
83.04975	2.6
83.08609	22.2
91.05463	11.3
93.07047	32.8
95.04986	4.9
95.08607	93.4
97.06509	3.6
97.10169	14.2
99.08067	6.2
105.07040	14.9
107.08600	39.6
109.06536	22.9
109.09470	4.7
109.10163	64.4
111.08042	4.7
111.11721	5.6
113.09646	3.3
119.08550	14.3
121.10149	32.5
121.38669	2.4
123.11713	41.4
127.11230	8.9
131.08543	3.1
133.10164	11.7
135.08015	4.6
135.11685	25.6
137.13263	12.6
139.11171	5.8
147.11728	12.4
149.13258	26.5
151.14793	4.6
161.13235	10.2
163.14827	20.7
165.12727	14.1
165.16389	4.0
175.14772	5.3
177.16373	9.0
179.14291	3.1
189.16394	6.7
191.17928	11.6
193.19516	3.8
203.18005	6.0
205.19531	4.4
207.17455	4.0
209.18991	4.4
217.19482	7.7
233.22562	3.0
239.41937	2.6
249.18468	4.0
273.25824	26.0
277.89301	2.4
291.16534	3.2
291.19702	11.4
291.23193	31.4
291.26788	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03933	5.4
55.01852	1.8
55.05270	1.6
55.05516	20.4
57.03434	1.6
57.07061	2.5
59.04992	1.4
67.05186	2.2
67.05511	34.7
69.06740	1.5
69.07076	19.0
70.94160	1.2
71.04970	1.2
71.05794	2.9
73.06527	1.4
79.05499	64.1
81.07063	49.0
83.04970	2.6
83.08637	8.0
85.06510	2.7
91.04976	1.9
91.05487	28.4
93.07051	100.0
95.04946	5.4
95.08062	1.9
95.08620	31.8
97.06548	2.3
97.10148	5.0
99.08070	1.6
105.07038	20.7
107.04927	1.5
107.08605	59.9
109.06503	3.0
109.09471	1.4
109.10165	14.2
111.08057	2.5
115.07594	1.4
117.06989	3.9
119.08595	17.1
121.06498	1.6
121.10153	51.6
123.08051	3.5
123.11684	3.9
125.09595	1.6
127.03933	1.5
128.06186	1.2
129.07030	1.8
129.09087	1.5
131.08601	7.3
132.00252	1.2
133.10152	15.1
135.08069	2.2
135.11702	54.1
137.09668	2.2
143.08575	3.7
145.10123	6.5
147.11681	11.0
149.09639	2.6
149.13266	37.0
151.11105	1.3
156.73528	1.3
157.10144	4.3
159.11685	4.7
161.13286	8.4
163.11182	3.7
163.14838	12.6
171.11642	5.9
173.13283	3.1
175.11270	2.8
175.14771	4.6
177.12686	2.5
177.16377	2.2
179.03354	1.6
179.14265	1.2
185.13318	2.5
189.12701	2.8
189.22853	1.2
199.14838	2.5
209.15364	2.4
217.19511	3.4
233.15530	1.2
235.09433	1.3
235.16949	3.1
241.19388	3.9
249.18477	4.2
259.20590	9.2
282.03821	1.2
291.19629	8.1
291.23166	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	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03941	5.0
55.01860	4.8
55.05513	34.0
56.01683	1.4
56.96567	13.4
57.03435	3.8
57.07082	15.8
57.57874	1.8
58.24848	1.4
59.04989	1.7
64.45502	1.4
65.03921	2.2
67.05510	46.0
67.06202	1.5
69.03420	5.5
69.07075	60.1
70.82175	2.0
70.82507	3.3
71.04987	8.1
71.08640	9.3
77.03926	2.1
79.05499	30.3
79.05952	2.3
81.03429	9.4
81.07066	99.4
83.04991	7.6
83.08140	2.5
83.08626	32.7
85.06529	4.9
85.10191	2.4
91.05487	22.4
93.07055	66.9
95.04980	15.1
95.08615	100.0
97.06551	8.7
97.10190	12.3
98.97591	44.5
103.05478	1.7
105.06393	2.7
105.07042	39.9
107.04966	4.3
107.08602	52.5
107.98150	1.5
109.06528	29.7
109.10168	53.5
111.04387	1.7
111.08099	9.8
111.11731	10.0
113.09617	2.0
116.98633	19.6
117.07038	4.6
117.67666	1.7
119.04980	1.5
119.08591	34.0
121.06508	4.4
121.09325	3.0
121.10155	60.7
123.04446	7.4
123.08061	10.4
123.11727	25.1
124.99128	3.9
125.09621	8.0
125.13206	2.0
127.03948	2.1
128.98587	2.7
129.07069	1.9
131.08563	6.1
133.06487	3.6
133.10136	21.5
134.99660	3.7
135.08052	9.2
135.11703	23.1
137.09618	5.6
137.13277	15.4
139.03906	12.4
139.11191	4.5
140.98625	2.7
143.00217	8.7
143.08623	3.3
145.10149	6.0
147.04453	2.3
147.08057	2.0
147.11696	26.6
149.09647	13.7
149.13278	25.2
151.07582	8.6
151.11189	3.2
151.14847	4.2
153.12788	2.4
157.10176	5.4
158.99666	5.0
159.11661	4.0
161.01225	10.2
161.05962	1.9
161.09622	3.6
161.13257	14.4
163.11308	2.9
163.14821	16.4
165.12743	5.8
167.10687	81.0
170.99641	2.7
171.11725	4.2
173.09685	2.0
173.13268	5.6
175.11119	8.2
175.14818	5.3
177.00687	4.5
177.16394	8.5
179.02347	2.5
179.10558	1.9
179.14337	2.5
179.17990	2.3
182.99652	4.4
187.11136	2.1
189.00746	7.8
189.12723	6.0
189.16380	4.5
191.10703	9.1
191.14342	4.8
191.17966	4.8
195.01897	2.1
197.13329	2.6
201.00711	13.0
203.17969	5.3
207.01765	3.0
207.13785	5.1
215.14296	3.8
217.12238	3.7
217.19594	8.3
219.01799	8.5
231.01918	1.6
233.15355	14.8
233.22720	1.8
235.20580	2.6
237.16315	1.6
249.02864	6.6
255.17552	3.4
259.13080	3.1
267.03989	2.5
273.18481	11.9
273.25787	26.1
291.09930	2.3
291.15924	5.8
291.19608	31.3
291.26822	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03936	3.3
55.01880	23.1
55.05516	14.8
56.96560	4.0
57.03445	14.6
57.07073	2.1
62.29393	1.6
65.03950	2.9
67.05509	24.4
69.03426	3.6
69.07080	9.8
71.04997	2.8
71.54752	2.5
74.63141	1.6
79.05501	46.7
81.03414	3.2
81.07064	26.6
83.04986	3.3
83.08620	6.1
85.02902	2.3
85.06539	2.7
91.04968	2.9
91.05493	35.8
93.07047	23.8
95.05008	8.4
95.08611	15.4
97.06519	2.0
97.10181	2.8
105.03363	2.1
105.07053	25.4
107.04976	17.1
107.08611	26.5
109.05791	3.7
109.06525	63.2
109.10167	6.8
111.08086	3.4
115.05463	4.0
117.07048	15.5
119.04933	2.6
119.08614	17.5
121.06505	8.2
121.10136	8.9
123.04437	11.2
123.08061	6.5
129.07008	6.9
131.08597	16.0
133.06491	5.9
133.10155	9.0
135.08064	100.0
135.11670	2.3
137.09579	1.9
139.03931	14.6
143.08575	7.7
145.10178	14.4
147.04404	2.0
147.08047	6.0
147.11662	4.1
149.09631	10.1
149.54828	2.6
151.07547	2.8
151.11215	2.3
157.10158	8.3
159.08058	3.0
159.11720	5.4
161.09628	12.5
161.13286	1.6
163.11179	2.8
165.05521	1.9
171.11731	3.7
175.11205	3.1
177.12820	3.4
183.11757	3.2
199.14803	4.8
217.15900	15.6
219.13863	1.8
227.17888	2.4
245.19153	2.0
249.14873	3.6
255.17403	4.1
273.18533	27.2
291.06967	2.5
291.10101	8.7
291.19583	79.5
291.22906	3.8
291.26855	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	291.1957
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03941	2.5
55.05518	10.0
56.96589	1.6
57.07072	3.7
59.04993	3.5
60.29655	1.3
60.62560	1.2
67.05508	5.9
69.07076	2.0
71.05009	2.4
71.24387	1.2
73.52267	1.2
79.05490	9.0
81.07076	8.3
83.04982	3.0
83.08643	8.4
85.06557	1.6
91.05481	6.0
93.07051	13.3
95.04981	7.0
95.08612	17.4
97.06527	4.8
105.07031	10.7
107.04953	10.9
107.08626	9.5
109.06532	8.7
109.10156	3.6
111.08091	41.7
113.09634	2.0
117.07039	2.3
119.08591	8.6
121.06514	3.2
121.10161	8.0
122.07280	1.8
123.08087	38.4
123.11726	1.8
130.07838	1.3
131.08603	6.8
133.06555	4.1
133.10136	7.6
135.08072	6.7
135.11667	2.1
135.30516	1.1
137.09685	2.9
139.03903	1.8
139.07574	1.7
142.07840	1.4
143.08598	3.3
145.10155	3.8
147.08064	4.2
147.11700	5.8
149.09636	5.8
151.07559	100.0
155.10692	2.1
156.09390	2.1
157.10136	3.9
159.08025	2.1
161.09666	2.7
161.13280	1.5
163.11179	3.1
171.11768	3.5
173.09647	2.4
173.13271	7.2
174.10448	3.0
175.11148	2.9
177.09142	2.4
179.10693	4.6
181.12257	2.0
189.12772	29.2
191.10695	1.7
191.14343	10.1
192.11459	3.7
197.11739	15.3
197.13277	2.4
207.13820	69.5
211.13235	2.3
213.16302	1.6
215.14325	3.2
217.12218	3.3
231.17458	2.0
233.15413	31.8
235.13315	1.7
249.18239	2.0
255.17439	1.9
273.18475	4.6
291.19571	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	291.1957
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03958	0.9
55.01884	1.7
55.05510	5.2
56.96570	1.2
57.03431	1.3
57.07076	3.7
59.04995	2.4
67.05503	7.6
67.57401	0.7
67.70757	0.7
69.03445	2.2
69.07070	3.4
70.06578	0.8
70.20449	1.7
71.04994	2.9
77.03924	0.9
79.05501	5.9
79.05883	0.8
81.07069	8.7
83.04977	2.5
83.08628	5.1
83.85267	0.7
85.02903	0.9
85.06545	2.0
87.04452	1.0
88.07650	0.8
91.05492	6.7
93.07047	12.0
94.57078	0.7
95.04995	4.8
95.08608	15.0
97.06533	3.5
98.97569	1.5
103.05492	0.8
105.07045	12.1
107.04962	5.1
107.08606	8.6
108.05745	1.6
109.06522	5.9
109.10155	5.1
111.04441	0.9
111.08089	26.1
113.06041	0.8
113.09710	1.0
117.07024	3.1
119.08591	9.1
120.05795	0.7
121.06518	2.1
121.10131	6.3
122.07287	2.0
123.04411	1.8
123.08082	37.5
123.11673	0.9
125.09684	1.1
129.06992	1.4
130.07770	0.9
131.08572	7.8
133.06514	4.5
133.10147	8.1
135.08061	7.0
135.11697	4.0
137.09616	3.0
137.53067	0.6
139.03905	2.9
142.07750	1.7
143.08546	3.0
144.09352	1.5
145.10141	14.5
147.08038	4.2
147.11696	5.7
149.09648	6.3
151.07552	100.0
152.07944	0.9
155.10666	2.0
156.09363	1.6
157.10158	4.8
158.10857	0.9
159.08034	2.2
159.11685	4.1
161.09607	4.6
161.13261	2.6
163.11183	4.5
165.09140	1.3
171.11676	3.9
173.09685	1.9
173.13263	4.7
174.10483	2.0
175.11197	4.6
177.09116	2.2
177.12772	1.6
179.10693	6.0
180.75179	0.7
181.12271	1.1
182.10927	0.8
183.11711	0.9
185.13335	1.2
187.11179	2.9
187.14778	1.1
189.00685	0.7
189.12753	29.9
191.10657	1.1
191.14308	5.8
192.11464	6.0
197.11743	15.8
197.13339	1.8
203.14293	1.9
205.12361	1.0
205.15913	0.7
207.13818	66.2
213.16394	2.8
215.14342	5.6
217.12212	2.4
229.23602	2.2
231.17383	2.4
233.15369	13.5
235.13327	2.2
237.16449	1.0
255.17386	2.0
273.18454	7.5
286.14703	0.7
291.19556	42.4
291.27200	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	291.1956
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03933	3.9
54.09071	1.4
55.01878	8.3
55.05513	46.5
56.96544	2.1
57.07072	3.7
59.05002	1.4
65.03930	3.5
67.01860	3.1
67.05507	47.5
68.99442	1.9
68.99796	23.6
69.03413	3.5
69.07073	39.4
69.60260	7.4
69.60686	2.1
71.04977	1.8
79.05502	22.0
81.03402	3.0
81.07063	53.4
83.04988	12.8
83.08628	18.5
85.02899	1.8
91.05492	15.7
93.07043	17.4
95.04985	6.9
95.08616	39.6
97.02911	2.7
97.06536	45.7
97.10174	11.5
99.04393	1.8
105.07037	15.1
107.04950	5.5
107.08601	14.3
109.06526	7.0
109.09465	1.9
109.10166	24.0
111.00810	39.4
111.04444	17.2
111.08068	4.0
117.07021	3.8
119.08603	11.3
121.06505	3.3
121.10157	11.6
123.04456	2.9
123.08067	11.6
123.11719	10.7
125.05970	5.2
125.09592	2.1
127.03916	17.3
131.08551	4.1
133.06468	2.5
133.10143	10.8
135.08023	5.9
135.11682	6.0
137.06061	2.1
137.09602	4.8
137.13232	4.2
139.03914	39.4
139.07518	3.9
139.11220	2.2
142.29604	1.4
143.08562	3.4
145.10144	3.3
147.08037	6.9
147.11719	8.9
148.41476	1.4
149.05898	1.7
149.09599	4.8
149.13229	3.1
151.07578	8.8
151.11249	2.7
153.05486	3.0
153.09102	2.7
157.10124	2.5
159.11688	1.5
161.09618	2.8
161.13283	2.4
163.11180	3.8
163.14804	3.7
165.05420	2.5
165.09116	4.7
165.12798	3.1
167.07034	7.1
167.10666	2.6
171.10220	3.0
171.11684	3.6
175.07617	1.6
175.11189	2.8
177.12718	2.8
179.07083	2.6
179.10706	5.2
181.08614	7.6
181.12332	1.3
181.19086	1.2
185.11777	1.7
187.14734	1.6
189.12769	2.2
189.16389	16.1
191.10579	1.7
193.08694	2.2
193.12202	4.3
195.10210	11.0
195.13791	5.2
203.10693	2.2
203.17929	4.0
204.50832	1.5
207.10147	2.0
209.11699	11.7
213.16394	4.9
217.12234	1.9
221.11674	3.4
223.13321	8.9
227.17859	1.8
231.13803	2.9
231.17413	4.4
235.13350	6.1
237.16487	1.8
245.19040	2.7
249.14923	3.8
249.18463	5.9
255.17438	1.5
273.18506	7.8
291.19559	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1593
Annotation	3-Polyprenyl-4,5-dihydroxybenzoate
Peak:m/z	Relative Intensity
53.55161	1.7
54.02188	1.8
55.05502	3.2
56.96561	2.6
58.84751	2.0
59.22214	2.3
65.03936	3.1
67.05502	3.5
69.07072	10.4
73.22701	1.7
79.05481	4.1
81.07038	6.2
82.22267	1.7
83.53436	1.9
91.05486	5.2
91.44365	1.9
93.03406	2.2
93.07048	3.4
95.04971	5.7
95.08612	5.7
106.05657	2.7
107.04910	2.6
107.08669	4.3
109.06521	3.1
109.10137	4.1
121.02868	2.0
121.10103	2.1
123.04411	8.7
131.01221	2.6
131.08545	2.0
133.06490	2.5
133.10130	2.0
137.02383	2.9
139.03923	14.3
147.04376	2.2
147.11650	1.9
149.02350	74.4
150.02621	2.2
151.03874	3.6
163.03905	6.4
165.05510	2.4
165.12833	3.3
167.03407	100.0
179.03444	4.8
181.04924	2.0
191.07040	3.1
207.13914	2.6
217.08513	3.3
235.09671	5.7
273.14883	78.4
273.17883	2.5
274.15002	2.1
280.76114	2.0
286.33533	2.0
291.09732	2.1
291.16220	3.3
291.19489	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	291.1706
Annotation	CL 22T
Peak:m/z	Relative Intensity
50.05651	0.8
51.75035	0.8
55.01870	2.5
55.05512	4.6
56.96576	3.9
57.07066	1.0
60.70275	0.8
67.05492	2.5
69.03433	1.2
69.07049	1.1
70.79047	2.3
71.04985	3.0
72.04523	21.9
72.27570	0.7
73.02918	1.4
79.05479	3.0
81.07066	3.7
82.06583	0.9
83.04963	1.9
83.08636	1.8
84.96016	0.8
85.02898	1.4
85.06538	2.2
88.03959	1.2
91.05468	3.3
93.07041	2.8
95.08640	1.8
98.97583	8.0
98.98495	1.0
99.00790	1.7
100.07543	0.8
100.11279	3.8
105.07040	4.2
107.04958	2.1
107.08620	3.7
107.99852	0.9
109.06538	2.7
109.10159	2.0
110.06064	1.3
110.97598	0.8
111.04443	2.1
115.05475	1.1
116.78000	0.7
116.98616	3.7
117.07014	1.9
118.06553	11.4
119.08568	2.6
121.02877	2.9
121.06494	1.5
121.10143	2.7
122.03173	1.8
123.04409	2.7
123.08089	0.9
127.03897	1.2
128.98677	1.4
129.07004	1.0
131.08580	2.2
132.08124	5.2
133.08873	2.5
133.10121	3.8
134.09641	1.2
135.07994	2.0
137.09601	1.0
139.03893	3.1
141.11452	2.8
143.00214	1.5
143.08623	0.9
144.08109	4.9
145.10115	1.8
146.09680	5.7
147.04422	2.7
149.09647	1.2
149.13243	1.1
150.95651	0.7
151.11203	1.4
155.02232	1.4
157.10178	0.8
158.09721	1.7
159.10463	0.9
159.11670	1.1
160.11229	1.7
161.01152	0.9
161.09604	1.3
163.03937	0.9
169.12273	1.6
170.99678	0.9
172.11189	2.1
173.13385	1.2
175.11168	1.2
176.14362	93.8
177.00858	0.9
177.02281	2.3
177.14783	0.8
182.15439	2.1
187.08635	2.0
187.13380	1.4
187.19800	0.9
189.00725	1.3
189.10356	1.2
191.14336	1.2
195.03345	1.2
201.00691	1.4
202.15923	36.7
203.11682	1.3
204.66554	2.1
205.52797	0.8
210.14919	2.4
218.66302	2.8
229.17056	4.8
245.16519	12.7
245.18808	1.5
246.14790	2.0
247.18076	31.8
249.02765	1.2
251.39447	0.7
266.64651	1.0
267.66809	0.9
271.10239	3.1
273.07654	0.9
273.16019	10.6
273.18634	1.4
274.14392	38.5
291.17032	100.0
291.19559	4.2
292.17276	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.6
56.96570	5.7
57.03424	0.8
69.03432	1.1
69.94237	1.8
70.06615	1.2
71.05035	0.4
73.02920	0.7
81.03427	0.7
82.88641	0.4
82.99886	0.4
84.04509	0.6
84.08157	1.4
84.96058	1.4
85.01416	0.9
85.02901	2.1
86.92892	0.4
97.02927	1.5
98.97590	8.3
101.00890	5.2
102.93761	0.4
103.00641	2.4
103.02447	1.4
110.97572	1.0
112.11300	0.4
112.99171	1.1
113.00900	1.8
115.02454	1.2
116.98634	2.9
117.02190	0.7
117.04026	0.5
119.01929	6.2
121.01699	3.4
123.84729	0.4
124.99174	0.9
127.03970	0.6
128.98616	0.7
129.04065	1.6
130.12277	0.8
131.00267	0.7
131.01909	4.0
131.96178	0.5
133.01685	1.3
133.03513	1.9
135.03209	1.0
136.06198	2.3
137.02959	0.8
137.92921	0.5
139.02673	0.6
141.06665	0.5
143.00218	1.5
143.01910	3.1
144.45436	0.4
144.98105	0.6
145.01700	1.4
145.03523	1.9
146.05949	0.5
146.99628	0.4
147.03221	1.0
147.05142	4.3
152.98672	0.6
154.00134	0.5
154.94191	0.4
155.01935	2.1
156.02753	0.7
157.03517	1.8
158.99722	1.4
159.05133	0.9
159.07710	0.6
161.01259	1.2
161.02974	8.4
163.02814	1.7
165.06120	1.0
168.98245	0.5
171.03061	0.5
171.05077	1.8
173.01289	3.1
173.03049	3.9
173.06671	0.7
175.02748	0.7
175.04573	1.2
177.00816	0.9
178.05016	1.8
183.05127	0.6
184.04547	0.4
185.03006	1.4
187.04558	0.5
189.00795	1.2
189.04358	1.7
189.06172	4.3
191.02295	1.6
191.04076	1.2
201.00833	0.5
201.04359	0.8
201.06105	4.4
203.02388	0.8
203.03996	2.3
203.07658	0.8
205.03851	0.6
207.05397	1.0
217.00249	0.8
219.01822	0.8
219.07272	1.2
221.05153	1.9
223.04887	0.7
225.06075	1.1
230.98264	0.7
231.01923	0.9
231.05264	0.5
231.07326	1.0
231.92896	0.5
237.02824	0.7
245.05197	0.7
248.99309	2.8
249.02875	1.0
267.00381	1.4
287.50519	0.4
291.10574	100.0
309.01459	0.5
309.09528	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0863
Annotation	(-)-Epicatechin
Peak:m/z	Relative Intensity
53.03946	0.7
55.01852	2.3
56.05032	0.9
56.96575	3.4
57.03435	0.6
58.99564	0.8
65.03944	1.2
67.05506	2.9
67.61169	0.4
68.99801	2.5
69.03410	0.9
69.07053	1.1
69.52946	1.0
69.53364	2.1
72.63696	0.5
76.02247	0.9
79.05495	1.0
81.07063	1.9
81.62283	0.5
83.04987	1.8
84.96072	0.9
85.01150	0.5
85.02907	1.2
86.99068	0.4
87.02718	0.6
88.02238	0.7
90.05559	1.0
91.05498	2.3
93.03408	1.5
95.04970	3.3
97.02883	0.5
98.09713	2.0
98.20712	0.5
98.97585	8.3
105.03403	0.9
105.07060	1.3
107.05007	0.7
110.97565	3.3
111.04462	3.2
112.99147	1.4
113.04270	0.8
115.05511	1.1
115.37851	0.5
116.01677	2.0
116.98634	2.3
119.04951	6.1
121.02926	0.8
123.04439	67.9
124.04842	0.6
126.05531	1.3
127.03865	1.3
128.98596	3.2
130.06953	0.5
131.00113	0.8
133.06500	0.9
137.02345	1.1
137.05997	1.1
139.03911	100.0
140.04202	0.6
143.04916	3.4
146.99689	0.7
147.04427	22.8
151.03934	3.3
151.07503	0.7
153.05463	0.7
156.08427	1.7
158.02725	2.4
158.99651	0.5
161.05977	7.5
163.03920	2.0
165.05486	14.8
169.04990	1.7
169.83792	0.4
170.11728	1.1
170.99690	2.2
177.05443	0.7
179.06999	2.6
181.04997	1.0
182.99706	0.5
189.00720	4.5
189.05467	2.2
193.06477	1.2
207.06537	7.1
219.01901	0.5
230.08438	0.8
249.02856	1.0
249.07588	1.5
249.99504	0.6
255.11479	0.8
273.07928	0.9
273.12668	10.6
291.08621	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	291.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
65.03953	1.3
67.05499	1.1
68.99800	2.3
71.39063	0.6
77.03941	0.5
83.04996	1.0
83.07118	0.4
85.02895	0.7
89.84478	0.4
91.05490	2.2
93.03404	0.9
95.04984	3.6
97.02872	0.5
111.04441	2.9
115.05486	1.7
119.04955	4.8
123.04440	66.5
124.04750	0.6
127.03929	1.7
133.06473	0.5
135.04404	0.6
137.02348	1.3
137.05945	0.9
139.03912	100.0
143.04945	2.7
147.04419	23.3
151.03888	2.5
153.05434	0.5
161.05997	7.8
161.63034	0.5
163.03925	1.7
164.27951	0.4
165.05486	15.3
169.04987	1.3
177.05482	1.0
179.07051	2.2
181.04990	0.8
189.05502	1.4
198.28171	0.4
207.06549	6.3
249.07529	1.9
260.98807	0.5
273.07535	1.0
291.08685	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0864
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.46799	0.5
55.01869	1.5
65.03937	1.1
65.67263	0.5
67.05506	0.9
68.99809	2.3
69.03384	0.5
70.03663	0.5
70.68608	0.6
70.68956	1.1
83.04990	1.1
91.05492	1.8
92.38148	0.5
93.03404	1.1
95.04974	2.9
105.03439	0.5
105.77177	0.5
111.04469	3.6
115.05473	1.6
119.04964	6.3
123.04436	70.4
124.04826	0.6
127.03917	1.7
133.06474	1.2
137.02336	1.1
137.05994	0.6
139.03908	100.0
140.04082	0.5
143.04916	2.9
147.04411	22.2
151.03922	1.9
153.05479	0.7
161.06000	8.4
163.03920	2.3
165.05476	15.8
169.04982	1.4
177.05515	1.2
179.07034	2.8
181.04903	0.9
189.05516	1.7
207.06499	7.0
241.98712	0.5
249.07704	1.5
273.07608	0.9
291.08783	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	8.4
56.96577	40.6
56.96804	6.5
58.06598	14.0
68.05038	7.2
69.03424	11.8
70.06583	24.2
71.54068	11.5
81.03409	7.0
84.04517	28.9
84.08140	12.6
84.96064	9.2
85.02908	15.8
90.78829	6.2
91.05479	18.3
96.08111	14.8
97.02915	9.4
98.97595	70.8
99.97922	8.2
101.00895	24.3
103.00631	14.5
103.02473	9.7
104.07137	18.4
109.02882	9.5
110.07175	6.6
111.04370	7.2
112.01341	6.6
116.98628	24.5
119.01951	42.7
119.04947	26.2
121.01694	27.4
123.04444	38.3
124.07588	6.2
131.01884	15.9
132.98096	13.8
133.03481	16.1
135.03210	6.5
137.02945	7.7
139.03914	91.3
139.06979	7.6
142.05022	37.7
142.08640	21.2
143.00157	11.9
143.01945	16.0
145.03462	18.8
147.04364	100.0
148.04697	8.7
149.91908	6.2
150.99146	7.0
157.03474	23.5
161.01289	9.8
161.02946	27.1
163.01103	6.3
163.02701	10.0
165.05554	10.8
170.08134	41.7
171.04967	7.1
175.02769	7.5
175.04498	7.9
177.00716	15.5
181.03366	5.9
187.04433	7.9
188.09239	15.1
189.00784	8.4
189.02457	20.9
189.04199	7.8
195.05078	9.2
198.07666	16.6
199.04480	7.4
203.04066	9.8
205.03569	17.4
216.08618	17.7
219.01736	13.4
223.04588	35.3
231.03598	11.7
235.06665	12.5
237.02776	6.8
241.05513	7.9
249.04575	7.6
253.07678	7.8
267.00488	8.4
268.00662	9.0
291.03284	7.1
291.08350	45.9
291.15656	18.3
309.04031	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	291.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81685	4.9
63.69970	5.3
69.77538	26.9
70.06626	6.2
75.07869	5.9
85.51621	5.0
92.42226	6.0
98.97124	5.8
103.00665	13.7
114.05531	5.8
119.01939	8.0
121.01689	17.9
131.01863	6.9
132.91772	4.8
133.03406	6.0
135.03273	9.1
143.01973	8.0
155.01857	5.2
157.03477	6.7
163.02744	7.1
186.91769	17.6
196.52608	7.0
217.00224	10.6
249.02576	6.5
270.09857	6.5
270.66809	6.4
291.07660	10.5
291.10828	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
55.05516	5.3
55.64248	0.4
55.94098	0.5
56.96571	22.1
57.03434	0.8
57.07066	1.3
66.22971	0.7
67.05511	5.6
68.96564	0.5
69.07072	6.4
70.83385	1.0
71.04990	1.0
71.08619	0.6
71.95259	0.8
77.03944	0.5
79.05505	6.0
79.06515	0.5
80.49989	0.5
81.07067	13.0
83.05000	0.8
83.08628	2.4
84.04516	2.2
84.96035	2.0
85.04845	1.3
85.06555	1.2
91.05483	3.5
93.07058	7.7
95.04974	1.7
95.08622	10.5
97.06531	1.0
97.10174	1.6
98.97594	100.0
99.08108	0.6
100.99162	0.8
105.07043	4.4
107.04984	1.6
107.08615	6.9
109.06528	1.8
109.10173	6.3
110.97566	3.0
111.04408	0.7
111.08072	1.1
112.99131	3.4
116.98632	35.8
117.06990	0.9
119.08596	4.6
121.10160	4.8
122.97579	1.7
123.04443	4.9
123.08057	1.5
123.11753	2.5
124.99118	6.8
128.98608	3.0
129.07004	0.7
131.00180	3.3
131.08589	0.8
133.10161	3.0
134.99670	8.0
135.08099	0.7
135.11728	4.9
137.13258	1.3
138.97037	1.2
139.03922	6.1
140.00223	3.1
140.98611	4.8
143.00179	18.4
143.08562	1.4
145.10130	1.4
146.99646	1.2
147.04420	1.1
147.08064	0.8
147.11722	2.7
149.01208	1.4
149.09637	1.3
149.13263	5.3
151.07564	1.3
152.98625	0.6
153.00667	0.8
156.98117	1.8
157.10196	0.6
158.01297	0.7
158.99677	8.1
159.11732	1.2
161.01244	19.2
161.05977	0.6
161.09544	0.6
161.13272	1.6
163.11264	0.7
163.14862	2.3
165.05472	0.8
165.09140	1.3
166.01746	1.4
167.00139	0.7
169.04904	0.6
170.99681	10.8
171.11728	0.7
173.01260	1.8
173.13289	0.7
174.99107	2.9
175.11185	1.0
175.14789	0.9
177.00719	8.6
177.16446	0.7
179.02316	2.1
182.99675	9.9
184.02838	1.0
185.01302	1.0
185.13438	0.5
189.00729	17.6
191.02316	1.3
195.01759	1.6
201.00732	22.1
203.18092	0.8
207.01787	3.6
207.13803	0.7
212.02377	1.7
213.00676	1.1
219.01785	18.8
224.02457	1.0
231.01834	2.3
237.02943	2.2
242.03391	1.2
249.02866	16.4
255.17589	0.8
267.03912	5.0
272.04437	1.7
273.18671	1.6
273.25827	1.8
291.03778	0.7
291.09442	0.6
291.12787	1.4
291.16278	0.9
291.19635	4.9
291.23392	0.9
291.26831	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	291.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01860	0.6
55.05521	6.8
56.96570	23.1
57.03434	1.0
57.07072	1.6
65.78897	0.4
67.05515	5.7
69.03420	0.9
69.07072	11.2
69.76900	0.7
69.77315	2.2
71.04972	0.7
71.08609	0.4
71.95278	1.3
79.05492	5.9
81.07066	14.9
83.04958	0.7
83.08646	2.8
84.96059	2.8
85.06549	2.0
91.05487	3.7
93.07050	10.7
95.05003	1.0
95.08614	13.2
97.06554	1.0
97.10162	1.6
98.97592	100.0
99.08112	0.8
100.11266	0.8
104.48196	0.5
105.07037	4.6
107.04973	1.2
107.08608	13.6
109.06524	1.3
109.10166	6.8
110.97554	6.2
111.08125	0.6
111.11732	1.2
112.99139	4.0
115.05447	0.7
116.98632	35.5
117.07064	0.9
117.37210	0.5
119.08589	3.6
121.06512	0.7
121.10146	7.8
122.97598	1.5
123.04439	2.5
123.08089	1.0
123.11714	3.6
124.99115	5.1
125.09631	0.7
128.06252	0.7
128.10683	0.7
128.96643	0.5
128.98625	5.6
129.07016	1.3
129.12560	0.5
131.00180	4.0
131.08591	1.7
133.10136	2.7
134.99660	6.7
135.08044	1.5
135.11688	5.2
137.13251	1.4
138.97052	0.8
139.03917	2.5
140.00214	2.1
140.98616	5.5
141.06998	0.9
143.00169	16.7
145.10104	0.9
146.99675	1.8
147.04413	1.1
147.08174	0.6
147.11719	2.3
149.01227	1.4
149.09648	0.9
149.13272	11.8
149.38815	0.5
152.98595	0.7
153.12772	0.8
156.98128	1.8
157.06439	0.6
158.07304	0.6
158.99678	8.5
159.08051	2.3
159.11624	0.8
161.01241	16.2
161.09627	0.9
161.13261	1.9
163.11275	0.7
163.14818	5.6
165.05476	0.6
165.12813	0.7
166.01772	0.6
167.00232	0.6
170.99683	12.1
171.08051	1.1
173.01245	2.1
174.06819	0.6
174.99170	2.7
177.00726	7.8
177.16451	1.8
179.02301	2.0
182.99664	11.1
184.02850	0.8
185.01297	0.9
189.00723	18.9
189.02357	1.1
189.09091	1.2
191.02359	1.4
191.18013	1.0
195.01810	1.6
199.18015	0.6
201.00722	19.3
201.09050	0.6
203.17929	0.6
207.01750	3.9
212.02234	1.1
213.00745	1.1
213.09018	1.2
217.19598	0.6
219.01776	16.8
221.18881	0.7
224.02315	1.0
231.01808	2.7
235.20651	0.8
237.02812	1.3
242.03459	0.8
247.05978	0.5
249.02863	15.3
267.03973	4.7
272.04498	1.2
273.18704	1.2
273.25833	0.9
291.03674	0.7
291.09430	0.7
291.12402	7.4
291.15591	0.8
291.16699	0.7
291.19571	4.3
291.23340	0.8
291.26782	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	290.0186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	36.0
63.83075	0.9
64.52914	0.8
69.35287	0.8
69.87065	3.4
74.97620	9.7
86.97607	13.0
91.24551	1.0
96.72792	0.7
98.21194	2.2
98.97597	100.0
114.97064	16.3
116.98639	25.6
126.12322	0.7
128.98619	2.6
130.96651	1.0
132.98109	31.4
134.99687	4.8
140.98656	0.8
143.00240	1.0
143.62939	0.9
150.99162	27.2
156.98112	1.6
158.99680	15.8
169.00237	5.1
174.99188	7.9
177.00763	9.2
177.19398	0.9
188.97069	3.7
190.98724	3.9
193.00241	22.5
206.98166	19.6
208.99829	1.1
211.01324	3.0
212.90930	0.9
220.99675	2.7
224.99164	5.0
239.00793	2.6
248.99149	8.4
267.00278	39.2
285.01328	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05536	0.7
56.96570	61.4
67.05493	0.7
68.10130	0.6
69.00576	0.6
69.07053	0.6
71.06471	0.7
71.06828	0.8
74.97614	9.8
79.05456	0.7
81.03441	0.8
81.07054	1.2
84.96059	0.8
90.26634	0.5
91.05483	0.9
95.05010	0.7
95.08618	0.8
97.99187	0.7
98.20804	0.8
98.97598	9.1
105.07037	1.6
110.97571	0.6
116.98650	4.2
123.04436	1.9
134.99683	0.8
139.03905	2.6
143.00192	1.4
147.04468	0.8
158.99832	0.8
159.01216	2.6
160.97601	3.1
161.01230	2.2
170.99654	1.0
177.02254	100.0
178.02718	0.9
178.98659	13.9
179.03815	2.4
182.99629	0.6
189.00699	1.5
195.03316	71.9
196.99658	4.5
200.03879	1.5
201.00702	1.8
202.00269	0.8
205.01723	1.7
207.01895	0.7
209.04753	0.6
211.02779	0.9
213.04362	1.0
218.04861	4.7
219.01802	1.7
223.02808	18.0
237.04387	2.7
241.03868	23.8
246.04376	1.7
249.02852	1.1
255.05490	2.0
259.04953	1.7
263.02313	2.7
264.05545	1.0
281.03387	2.0
288.53964	0.6
291.01874	0.8
291.19748	1.1
309.02646	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2527
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03942	4.3
55.05517	22.6
57.07067	7.7
59.04985	2.7
65.03952	3.0
67.05512	30.7
69.03432	4.1
69.06726	3.5
69.07073	45.4
71.04989	4.6
71.54978	2.1
79.05500	26.1
81.07062	90.8
83.08621	13.8
83.34840	1.8
85.06554	2.9
91.05499	17.7
93.07050	44.2
95.04931	2.5
95.08616	77.2
97.06511	6.4
97.10157	9.5
105.07036	37.0
107.08601	61.6
109.06501	5.0
109.10159	52.7
111.00840	3.1
111.08083	3.2
111.11736	24.7
113.09655	3.3
117.07002	5.1
119.08604	36.6
121.10146	37.1
123.08038	3.4
123.11715	33.0
125.09653	4.1
127.03918	46.5
131.08539	8.1
133.10132	23.8
135.11691	35.3
137.09575	3.0
137.13245	6.4
139.11176	4.4
145.10152	14.0
147.11713	21.9
149.13277	25.6
151.11166	3.8
151.14835	4.3
153.12694	2.2
157.10158	2.5
159.11714	13.8
161.13268	19.5
163.14836	27.8
165.12730	4.0
167.03462	3.6
173.13271	6.7
175.14850	12.8
177.16414	3.8
179.14317	2.0
187.14777	10.6
189.16498	11.1
191.18095	2.5
195.17349	2.6
201.16415	11.4
203.18004	4.1
205.06454	4.2
215.18002	10.2
229.19534	3.3
231.21169	4.6
233.06075	11.1
233.19048	2.3
271.24210	37.9
289.06161	4.3
289.11966	11.8
289.18082	4.7
289.25259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2527
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
51.52345	1.2
53.03946	4.0
55.01865	3.0
55.05511	15.4
57.07076	6.2
64.24812	1.3
65.03948	2.3
67.05503	26.6
69.03417	1.8
69.07072	24.3
69.54131	9.5
71.65571	1.3
79.05498	21.0
81.03434	2.7
81.07061	100.0
83.08630	16.6
85.02902	2.1
85.06543	2.6
86.09653	1.3
91.05491	13.2
93.07047	29.1
95.04980	4.1
95.08610	44.9
97.06537	2.7
97.10174	9.1
105.07035	22.6
107.08598	17.6
109.02898	3.8
109.06522	4.9
109.10160	32.4
111.04379	1.5
111.08106	6.9
113.09653	1.3
117.07020	3.1
119.08591	13.5
121.10159	15.6
123.04459	2.2
123.08012	1.7
123.11722	22.1
123.73981	1.4
127.03925	37.5
131.04912	1.6
131.08575	5.5
133.10146	13.2
135.04535	1.4
135.11694	9.3
137.09616	2.5
137.13249	2.3
145.10150	7.9
147.11688	10.8
149.02388	3.6
149.09738	3.1
149.13286	8.7
151.03961	1.5
151.11198	6.0
154.07645	1.4
157.53848	1.4
159.11716	5.1
161.06006	1.9
161.13274	8.5
163.14845	4.5
165.01842	25.3
167.03445	5.1
173.13297	3.8
175.14842	4.6
177.01767	8.8
177.16402	4.3
179.03395	2.4
179.14311	3.0
179.17970	2.4
182.49338	1.4
183.02895	16.4
187.14828	4.3
189.16382	8.1
191.14391	2.0
195.02916	13.9
201.16426	1.9
203.17996	3.4
207.06575	2.6
207.17355	2.1
215.07053	2.2
215.17949	5.4
233.08049	17.5
239.24455	1.5
251.09059	3.2
271.13129	2.9
271.24173	10.8
289.14352	30.1
289.17593	2.9
289.21994	3.0
289.25238	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	289.2528
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03947	4.8
55.05518	16.5
55.17257	1.8
56.96549	2.4
57.07071	4.7
59.92917	1.8
65.03960	2.4
67.05512	25.0
69.03435	2.7
69.07082	22.5
71.55224	2.0
77.70477	1.6
79.05502	22.5
81.07067	100.0
83.08624	16.5
85.02924	2.0
88.72359	1.7
91.05489	11.7
93.07051	34.1
95.04971	2.7
95.08617	48.4
97.06479	1.9
97.10178	12.5
105.07053	15.3
107.08607	20.7
109.06512	5.6
109.10168	30.5
110.74019	1.6
111.08100	7.1
111.11710	2.6
113.09717	1.9
117.07056	2.8
119.08630	14.8
121.10162	20.5
123.04446	1.5
123.11716	24.5
127.03931	45.0
131.08577	6.6
133.10158	10.8
135.04451	2.6
135.11684	11.2
137.13278	3.0
145.10191	8.1
147.11713	11.4
149.13257	11.4
151.11266	2.8
159.11702	8.2
161.13286	5.6
163.14848	5.3
165.01855	4.7
165.12822	2.0
167.03424	5.4
173.13290	6.5
175.14871	3.5
177.16425	5.5
179.17995	2.1
179.33661	1.7
183.02928	4.1
187.14886	4.6
189.16423	8.2
191.17941	2.6
201.16402	5.3
203.18007	5.4
207.17514	2.7
215.18005	7.6
222.11482	1.6
229.19566	1.9
231.20885	1.8
256.99768	1.8
271.24228	12.6
286.35281	1.6
289.14743	3.2
289.18283	3.5
289.21948	2.8
289.25287	43.0
289.28717	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	289.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81755	3.5
55.05502	11.7
57.07064	3.2
59.05010	6.0
67.05512	16.4
69.07069	13.0
69.26723	15.1
69.27150	18.0
79.05519	7.4
79.57563	3.6
81.07050	23.9
83.08612	8.7
85.02918	5.7
85.06548	5.3
86.35029	3.4
91.05505	6.0
93.07032	8.4
95.08620	39.8
97.10163	9.0
107.08557	5.4
109.10161	14.7
111.11703	6.9
119.08572	6.2
123.11708	10.1
127.03925	100.0
137.13237	5.7
173.01369	3.2
193.19568	9.8
211.20602	17.7
251.38123	3.9
281.89313	3.5
289.18420	4.9
289.21576	11.9
289.25079	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	289.2527
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03948	3.2
55.05297	2.9
55.05518	27.2
57.07059	6.9
59.04999	3.1
65.03948	5.6
67.05514	38.9
69.03441	5.3
69.04016	2.4
69.06722	3.8
69.07076	50.7
69.82735	10.0
77.03904	2.3
77.62074	2.1
79.05503	29.1
81.07069	99.6
83.04989	18.9
83.08640	15.4
85.02901	4.4
85.06534	7.1
86.18681	2.2
91.05488	25.4
93.03448	3.0
93.07055	59.2
95.04993	3.8
95.08618	100.0
97.06536	7.9
97.10177	10.1
99.08112	2.9
102.19794	2.2
105.07039	45.6
107.04955	2.7
107.08608	74.0
109.06525	6.7
109.09469	4.2
109.10175	61.9
109.10911	3.3
111.08053	3.7
113.09652	2.8
117.07029	8.4
119.07803	3.6
119.08591	42.1
121.02911	3.9
121.10154	45.9
123.04411	2.6
123.08053	2.8
123.11715	39.0
125.09643	9.1
127.03929	68.1
127.11243	3.8
127.53174	2.2
131.01263	4.0
131.08563	12.0
133.10159	32.8
135.04431	2.5
135.11717	40.9
137.02298	3.1
137.09645	3.3
137.13290	7.2
139.03967	3.8
139.11226	4.3
145.10121	16.6
147.11702	24.8
149.01161	3.3
149.02354	57.3
149.13260	29.1
151.03893	6.4
151.11194	3.8
151.14862	2.1
154.15150	2.5
157.10175	2.7
159.11722	17.7
161.06029	3.1
161.13300	24.3
163.03966	3.3
163.14833	25.9
167.03432	79.4
169.01317	3.8
173.13293	12.9
175.14890	16.1
177.01840	3.3
177.16405	5.9
179.03404	2.6
179.14386	4.0
187.14821	8.1
189.16422	10.9
191.17928	12.1
193.15894	5.7
196.04779	2.1
201.12683	2.3
201.16391	9.2
203.17950	8.7
205.06511	5.6
207.06581	3.1
207.17638	3.6
215.17952	13.0
219.17433	3.5
229.19600	2.7
231.21024	4.8
233.05925	7.7
271.13330	9.2
271.16635	3.0
271.24243	34.0
289.14813	18.5
289.18488	4.2
289.21698	18.4
289.25266	83.2
289.28821	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	289.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.5
67.05511	11.3
67.96346	2.6
69.07066	10.9
70.65599	3.6
71.04978	2.8
79.05490	5.0
81.07069	19.8
83.04975	2.3
83.08624	4.5
83.95125	2.3
85.02911	4.7
91.05447	2.4
92.69657	2.6
93.07044	6.9
95.08624	28.9
97.10152	7.6
105.07058	4.3
107.08606	3.4
108.01892	2.1
108.12416	2.0
109.02850	2.7
109.10161	11.8
111.11750	4.8
112.96223	2.1
117.07097	3.6
119.08603	3.6
121.10147	3.9
123.11677	6.5
127.03936	100.0
133.10118	2.6
136.78719	2.4
137.13277	3.6
193.19536	5.8
211.20634	13.2
233.08113	2.7
247.21602	5.2
261.96252	2.5
289.17856	4.0
289.22690	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	289.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16843	2.7
55.05515	5.2
57.07078	2.8
67.05495	7.5
69.03421	2.7
69.07063	7.1
71.55490	2.9
79.05495	2.9
81.07065	12.2
81.47636	2.4
83.08609	3.0
85.02910	5.1
91.05518	2.9
93.07018	2.9
95.08619	17.7
97.10144	3.0
101.54573	2.4
105.07105	2.6
105.32358	2.2
107.08594	2.7
109.10167	6.5
121.06501	2.5
121.43121	2.5
123.11707	3.1
127.03929	100.0
167.03328	3.0
184.96800	2.3
193.19571	2.9
193.51685	2.3
211.20529	9.1
250.03549	2.7
289.28772	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03464	0.9
54.94448	0.9
55.05513	1.8
57.07078	0.9
57.07798	0.8
58.06588	2.5
58.56470	0.7
60.04261	0.9
60.04535	12.0
67.05496	3.7
69.07072	5.7
70.06601	5.8
71.06104	3.5
71.55708	1.8
76.13283	0.9
77.09474	0.8
79.05484	3.5
81.07078	7.0
82.06575	1.0
83.08607	1.5
84.08128	1.2
85.02878	1.4
85.07690	2.0
87.05612	0.8
87.71520	0.7
91.05471	2.9
93.07061	6.6
94.06558	1.3
95.08603	5.8
96.08136	4.3
105.07039	5.9
107.08615	7.9
108.08125	2.4
109.07624	1.2
109.10162	6.0
110.08427	1.5
110.09664	1.0
111.09181	4.9
111.40834	0.7
113.07111	0.9
115.81837	0.8
119.08575	5.7
120.08107	1.9
121.10151	5.1
122.09662	2.0
123.09184	3.2
123.11727	1.4
124.11222	4.3
124.84922	0.9
127.03927	33.5
131.08600	1.6
133.10097	5.5
134.09619	1.6
135.09129	1.1
135.11681	1.5
136.11223	1.2
137.10735	1.8
138.12805	1.0
143.08607	1.5
145.10115	2.2
146.09656	2.0
147.11732	2.0
148.11198	3.0
149.13278	1.1
157.10129	3.2
159.11684	1.4
160.11198	1.9
162.12773	3.3
164.14484	0.9
165.13869	2.0
171.11671	1.9
173.13263	1.8
174.12814	5.3
179.15443	1.0
187.14879	1.1
188.14372	1.9
190.04672	0.9
191.15398	1.2
204.17438	1.0
207.14937	1.3
213.16422	2.2
228.94975	0.8
230.19061	17.0
247.21716	31.2
248.20110	1.4
289.22742	100.0
289.29373	2.2
290.23141	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2276
Annotation	Flabelline
Peak:m/z	Relative Intensity
55.05515	0.7
57.07058	0.4
59.06128	0.7
60.04538	3.3
67.05502	1.4
69.07082	2.0
69.20847	1.0
69.21257	2.7
71.06104	0.7
79.05501	1.0
81.07066	2.5
83.08606	0.7
85.02905	0.5
91.05499	1.7
93.07074	1.7
95.08620	3.3
97.07681	0.5
98.20764	0.6
103.75661	0.3
105.07038	2.7
107.08610	1.9
109.06551	0.4
109.07594	0.6
109.10155	1.3
109.49774	0.3
111.09188	0.5
119.08561	2.4
120.08139	0.4
121.10159	1.2
122.08372	0.5
122.09608	0.4
123.09212	0.7
123.11671	0.5
127.03941	9.4
129.07043	0.4
131.08603	0.8
132.08067	0.7
133.10144	4.8
135.11685	0.4
139.08640	0.7
145.10123	0.4
146.09648	0.9
147.11685	1.6
149.13278	0.5
157.10152	0.4
159.11781	0.5
161.13245	1.0
174.12793	1.1
189.16389	1.4
191.15466	5.2
203.18068	0.4
203.24794	0.4
213.16335	0.7
230.19025	3.0
233.16533	2.2
246.20428	0.4
247.21716	35.0
248.20102	2.6
248.22198	0.4
259.51154	0.4
289.22757	100.0
290.23041	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.3
53.03942	2.4
55.01865	5.5
55.05272	1.8
55.05516	27.8
56.96564	8.3
57.03443	24.5
57.07067	2.3
59.04985	1.5
60.02351	1.4
65.03926	2.0
67.05512	60.6
67.05878	3.0
68.99812	1.8
69.03434	7.1
69.06721	2.4
69.07072	30.0
71.04995	17.9
71.44256	2.3
73.02902	1.5
79.05496	29.9
81.03429	2.5
81.07063	88.8
83.04955	3.9
83.08623	17.5
84.04501	2.8
85.02905	4.3
85.06557	15.9
91.05488	27.3
93.07053	27.2
95.04970	5.3
95.08615	100.0
97.02893	2.4
97.06549	22.4
97.10152	4.2
98.97594	12.1
99.04467	1.8
99.08110	8.6
101.06002	1.7
105.07043	25.1
107.04981	3.2
107.08610	18.5
109.06525	6.7
109.10175	18.8
111.04446	2.6
111.08077	5.9
113.09696	1.8
115.07553	2.1
116.98628	4.6
117.07039	3.9
119.08595	29.9
121.02870	5.0
121.10157	14.0
123.04411	4.8
123.08080	9.4
123.11710	5.3
124.07595	2.2
125.09683	2.5
127.03925	20.0
127.07574	1.8
131.08589	3.7
132.69724	1.5
133.10135	22.7
135.04414	8.0
135.08054	3.4
135.11696	14.0
136.07593	23.6
137.06023	1.8
137.09621	5.5
137.13283	9.6
138.08195	2.0
138.09134	11.8
139.03899	4.7
145.10144	5.3
147.11691	4.0
149.13255	9.7
151.03877	2.4
152.07040	2.3
153.01875	4.5
157.10172	1.8
158.99625	2.4
159.11736	3.6
160.58127	1.8
161.13272	42.6
163.03952	3.3
164.05847	2.6
164.07086	27.1
165.01924	1.9
173.06444	2.1
173.13330	3.2
175.10715	1.8
175.14842	1.7
177.00642	2.9
179.14326	20.4
187.11215	2.4
187.14870	2.2
190.11108	2.9
193.11697	2.0
195.07785	5.4
197.15387	6.7
199.09891	1.7
199.11639	3.7
208.12181	6.6
229.12698	2.0
243.10277	1.9
253.18040	4.3
265.13785	5.9
266.14578	2.1
271.06381	1.9
271.09756	6.6
271.14224	3.0
271.19022	25.2
271.23697	1.6
274.14398	3.1
280.14200	4.1
289.06094	19.5
289.10843	6.4
289.14844	7.7
289.20264	29.6
289.24985	8.8
289.64960	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.18
Annotation	Dicranenone A
Peak:m/z	Relative Intensity
50.35821	1.3
53.03944	3.0
55.01861	5.7
55.05509	13.8
57.07062	4.0
65.03928	4.9
67.05511	89.4
68.99802	17.0
69.07078	11.2
70.72318	3.8
71.01326	2.0
74.50536	1.3
77.55002	1.3
79.05500	47.4
81.03437	2.0
81.07061	75.4
83.04987	6.1
83.08615	4.3
85.02877	1.6
85.06535	2.0
91.04964	1.9
91.05490	21.0
93.03403	3.0
93.07052	59.1
95.04963	5.1
95.08615	70.7
97.02909	1.3
97.06545	20.2
97.10156	1.6
103.05482	1.5
105.04526	1.4
105.07027	20.7
107.04952	8.3
107.08602	40.6
109.02834	1.5
109.06512	4.4
109.10165	52.3
111.00807	18.0
111.04450	14.7
111.08049	1.9
117.07031	12.1
119.08585	14.4
121.06504	4.9
121.10156	32.7
123.04456	6.4
123.08061	4.2
123.11710	14.3
125.06030	1.6
125.09657	2.6
127.03934	20.2
129.07027	7.5
131.01263	1.5
131.08565	20.6
133.06535	2.3
133.10153	12.3
135.04428	1.5
135.08031	3.7
135.11719	13.3
137.02333	1.7
137.06044	2.0
137.09619	3.5
137.68605	1.3
139.03918	45.9
139.07547	1.8
141.05431	3.6
141.06998	3.4
143.08586	5.1
145.06485	3.9
145.10141	21.5
147.08067	7.5
147.11681	5.3
149.02345	20.5
149.06012	8.5
149.09619	5.4
149.13237	3.5
151.03867	2.3
151.07516	4.7
151.11197	5.0
151.14809	1.7
153.05486	2.1
155.08571	4.7
157.10141	3.1
159.07970	2.6
159.11716	11.2
161.05960	2.2
161.09586	2.7
161.13255	8.7
163.07523	5.3
163.11203	6.7
163.14842	24.8
165.05504	4.5
165.06949	1.3
165.09100	3.8
167.03421	18.3
167.07057	3.4
169.10110	7.5
171.08044	1.4
171.11681	1.6
173.06039	3.7
173.09636	14.3
173.13251	4.6
175.07587	1.9
175.11153	1.7
177.09074	1.8
177.16418	1.6
179.07004	4.0
179.08452	1.5
179.10690	1.3
181.08588	5.0
183.08121	1.8
183.11717	4.4
185.09517	1.4
185.13219	5.0
187.07549	2.5
187.11229	13.9
187.14839	33.7
189.09198	1.7
189.12781	1.4
191.07056	2.8
191.10724	1.7
193.12219	3.0
195.10168	9.6
197.09662	2.4
197.13213	1.5
199.07654	1.7
199.14819	5.7
201.09105	8.6
201.12744	3.0
201.16418	10.4
203.17950	1.7
205.08586	1.7
205.12245	1.4
205.15935	3.2
207.10197	2.2
209.11700	4.0
211.14761	6.4
214.09909	1.5
215.10809	8.4
215.17976	4.1
219.10150	2.5
219.17377	2.2
225.16425	10.5
229.12386	5.8
229.15889	14.0
233.11719	2.2
243.13684	1.8
243.17451	19.4
245.15656	1.7
245.19031	2.7
247.16951	3.9
251.07869	1.6
253.15936	3.5
253.39047	1.2
271.13831	2.0
271.16943	53.0
274.25891	1.6
289.14832	3.5
289.17990	100.0
289.24908	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	289.1434
Annotation	4-Hydroxy-(3',7'-dimethyl-1'-oxo-octa-2'-E-6'-dienyl)benzoic acid
Peak:m/z	Relative Intensity
50.81442	0.1
51.02378	0.2
53.00283	0.6
53.03952	0.3
55.01863	1.0
55.05512	3.9
56.96559	0.2
57.03428	0.2
57.07067	0.4
59.04994	0.3
59.06131	0.1
63.02382	0.2
65.03941	6.2
66.04699	0.1
67.05507	1.6
68.99780	0.3
69.03423	0.6
69.07069	3.8
69.88071	0.6
71.04987	0.2
73.21112	0.1
74.06074	0.1
75.02373	0.1
75.05589	0.1
77.03940	0.2
79.01884	0.1
79.05492	1.4
81.03409	0.5
81.07058	3.3
82.19291	0.1
83.01331	0.2
83.04976	0.2
83.08620	1.4
85.02896	0.2
85.06531	0.2
88.07623	0.3
89.03918	0.1
89.07151	0.3
91.05473	1.1
93.03407	4.2
93.07053	1.3
95.01340	1.5
95.04967	0.6
95.08612	1.6
97.06537	1.5
98.97581	0.1
99.04446	0.3
103.01836	0.5
103.05483	0.3
103.08738	0.1
105.03395	0.5
105.07027	0.9
107.04950	0.6
107.08597	1.4
109.02870	0.7
109.06528	0.2
109.10165	1.6
111.04478	0.5
111.08060	0.2
111.59903	0.1
113.05988	0.4
115.05433	0.5
117.07037	0.5
119.04932	0.4
119.08588	0.3
120.08971	0.1
121.02874	5.1
121.03825	0.3
121.06487	0.6
121.09779	0.9
123.00802	0.3
123.04420	0.7
123.11709	15.2
125.06007	0.4
127.03913	2.2
128.06252	0.1
129.07014	0.3
131.01291	6.8
131.04944	0.2
131.08553	0.5
133.02837	0.4
133.06499	0.7
133.10141	0.2
135.04384	0.6
135.08055	0.1
135.11705	1.3
137.02342	6.1
137.06027	0.2
139.03908	0.2
141.07008	0.4
141.12724	0.1
144.05696	0.2
145.02863	0.2
145.06511	0.3
145.10109	0.1
147.04344	0.5
147.08083	0.2
149.02342	70.3
150.02988	0.4
151.03900	6.2
153.12741	0.4
159.04488	0.2
159.08067	0.4
160.05182	0.1
161.02309	0.8
161.05951	0.9
163.03896	2.3
163.07599	0.2
165.01823	0.2
165.05504	0.5
167.03398	100.0
168.03755	0.5
169.03780	0.2
169.06467	0.1
173.02322	0.2
173.05956	0.4
175.03937	0.8
175.07613	0.2
177.00272	0.3
177.01836	5.2
177.05434	1.8
179.03403	2.6
179.07008	0.2
181.01369	0.3
181.04941	0.5
181.06329	0.1
185.06041	0.2
187.03947	0.6
187.07648	0.3
189.05457	3.2
190.04945	0.2
191.03409	0.4
191.07027	1.8
193.04970	1.3
195.02890	0.1
196.00011	0.2
197.05908	0.1
201.05464	0.8
203.07018	1.6
205.04959	1.7
205.08643	0.2
207.06540	2.8
213.23293	0.2
215.07031	2.8
219.06519	5.5
221.08089	0.3
229.08589	0.5
229.12277	0.2
231.10141	0.7
233.08090	1.4
242.24693	0.3
243.13760	0.1
245.25957	0.2
247.13350	0.4
253.12216	0.2
271.13287	12.6
288.55545	0.2
289.14349	19.4
289.28537	2.3
290.14774	0.2
298.21136	0.1
307.15384	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.092
Annotation	Dianthoside
Peak:m/z	Relative Intensity
52.56617	0.4
53.03949	0.5
55.01866	0.6
56.96564	0.9
61.02234	0.3
61.02918	0.9
69.03434	1.7
71.26886	0.5
71.97871	0.3
73.02927	0.4
81.03413	0.6
85.02915	5.0
86.97614	0.4
88.27277	0.3
97.02897	1.2
97.92344	0.3
98.97622	1.5
109.02895	1.3
111.04407	0.4
116.98631	0.3
123.04445	0.9
127.03926	100.0
128.04294	0.7
135.04427	1.1
139.03909	5.5
141.06604	0.4
141.72775	0.3
145.04982	0.8
151.03903	0.3
153.27299	0.3
163.03899	0.6
171.80055	0.3
193.00232	0.5
201.61453	0.3
267.00369	0.3
271.07480	0.3
271.16534	0.4
271.80920	0.3
285.01352	0.6
289.07114	0.4
289.12579	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	289.0707
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
51.36247	0.7
51.93600	0.9
53.03945	1.2
55.01865	1.3
56.96581	4.3
60.62938	0.9
64.71131	0.9
65.03939	2.5
67.01874	1.5
67.05497	2.7
68.99795	2.8
69.03430	1.7
71.08369	1.9
79.05489	1.6
81.07064	1.6
83.04999	1.3
84.04516	1.1
84.08147	2.7
85.02898	1.6
91.05502	5.3
93.03426	1.7
93.07053	1.2
95.04984	1.8
97.02901	1.2
98.97573	5.6
105.07058	1.4
107.04963	23.3
107.08627	1.0
109.06510	1.1
109.10173	1.5
111.04446	4.9
116.98624	3.4
117.03400	1.3
117.07014	1.0
118.06548	1.4
119.04967	2.6
120.08112	1.7
121.02874	9.3
123.04453	9.3
127.03921	11.8
129.07019	1.1
131.04964	1.5
131.08620	1.4
132.08400	1.8
133.10135	1.4
134.99689	0.9
135.04416	15.2
137.02324	1.3
137.05974	1.1
139.03902	6.6
141.06993	4.3
145.02859	1.3
145.06471	2.1
147.04419	2.2
147.08102	1.5
149.02356	63.4
151.03920	2.8
152.06232	1.0
153.01833	22.0
153.05420	1.2
159.04466	2.4
159.08035	2.0
163.03923	4.7
165.07074	0.9
167.03421	2.3
168.59654	0.8
169.06503	6.7
170.09621	1.0
171.02904	1.9
172.07610	1.3
173.05989	2.3
180.08119	0.9
187.03981	1.6
187.07515	1.7
195.02927	1.1
196.10023	0.8
197.05978	8.0
199.08640	1.1
203.05872	1.6
205.03772	1.8
215.07037	71.1
217.09766	3.9
223.04950	2.3
225.05472	2.3
225.14014	0.9
243.06546	100.0
247.04921	2.9
253.04919	1.5
253.13448	1.1
257.13092	1.0
259.06046	2.6
261.07657	1.3
271.06052	34.0
271.14249	1.5
289.07098	6.5
289.11697	2.8
289.15741	5.0
289.18521	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0709
Annotation	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
51.02384	0.9
53.03941	1.3
55.01878	1.2
56.96571	0.5
65.03935	1.0
67.05518	2.3
68.99797	3.4
70.05081	0.9
70.05494	1.8
75.82400	0.6
77.03926	2.3
79.05506	0.8
80.86521	0.5
83.01346	1.4
84.43186	0.4
85.02905	0.7
89.03915	2.3
91.05479	1.1
93.03410	1.4
95.04978	4.5
97.02859	0.8
98.97589	2.2
103.05463	1.5
105.03403	3.0
105.07068	0.6
107.04960	1.1
111.00810	1.4
111.04436	2.4
115.05434	1.0
117.03400	3.1
119.04971	0.9
120.63206	0.5
123.04438	100.0
125.95528	0.5
127.03941	4.2
128.06206	0.5
131.04959	2.3
135.04436	12.9
137.02394	0.5
137.06010	1.9
139.03917	24.0
141.06993	0.8
145.02856	2.8
149.02377	1.8
149.05957	1.1
151.03923	7.0
153.01857	1.0
157.06471	0.7
157.07706	0.6
159.04433	3.6
161.06039	1.0
163.03926	24.3
169.06418	0.6
173.05984	1.1
175.07448	0.6
177.05469	1.8
185.06012	1.2
187.03896	3.6
197.05994	2.6
199.03957	0.6
201.05498	1.4
204.63696	0.5
205.04999	3.9
215.07123	1.2
225.05490	1.1
231.06572	1.4
243.06476	3.0
245.04507	4.2
253.04897	0.8
259.05972	1.4
261.07565	0.7
271.06042	1.8
289.07104	10.8
289.11884	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	2.5
55.05505	2.6
56.96547	2.5
57.07064	1.5
60.04515	0.7
61.17593	0.7
63.22993	0.7
64.41098	0.9
67.05507	3.9
68.99791	1.6
69.03432	1.7
69.07082	3.8
71.01361	26.4
71.13832	1.0
71.14179	1.5
79.05510	5.4
81.03424	1.4
81.07050	8.6
83.08629	2.1
84.04501	2.0
84.99255	0.9
85.02908	1.0
91.05505	3.7
93.07041	5.7
95.04965	1.0
95.08611	7.2
97.06510	1.6
97.10184	0.9
98.97591	1.9
99.00202	1.8
99.00826	31.6
101.00903	1.1
103.05462	1.0
105.03410	0.8
105.07035	10.1
107.08618	6.2
109.06509	1.5
109.10179	5.6
111.04457	1.7
112.94053	0.7
114.16769	0.9
117.07047	1.4
119.01916	1.5
119.08611	3.7
119.09305	0.9
120.05704	2.3
121.06502	0.8
121.10146	2.9
123.04449	4.1
123.11715	1.7
127.03923	19.0
128.06233	1.3
129.06966	1.0
131.04919	1.4
131.08598	2.3
133.06529	1.5
133.10132	2.7
135.04428	9.4
135.08067	33.3
135.11702	2.9
137.05963	0.9
139.03906	5.0
141.06946	1.1
143.08600	1.0
144.05696	5.6
145.06468	2.7
145.10130	3.0
147.08002	1.1
147.11700	2.6
149.02380	1.5
149.13222	2.9
151.03905	1.5
153.01817	1.2
154.99765	100.0
159.08066	6.3
159.11694	2.7
161.05997	1.4
161.13281	2.2
163.03972	1.1
163.07579	1.1
163.14871	2.0
164.07053	1.9
169.06528	4.4
173.00859	4.2
173.13266	1.0
177.16373	1.1
187.00882	1.0
187.07558	12.5
191.17900	1.0
197.05980	4.9
200.04706	9.0
201.16499	1.0
215.07021	5.6
215.17984	1.3
225.05469	1.6
228.04285	1.2
229.01930	1.0
231.06815	1.0
243.06566	6.5
247.06033	6.6
259.05957	1.5
267.10129	1.0
271.06003	12.5
271.16946	1.6
271.24252	4.0
289.06009	19.7
289.13892	1.5
289.18100	2.8
289.22195	1.3
289.25195	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	289.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38336	1.0
58.99858	2.6
67.60848	1.2
69.92742	1.0
70.59657	3.5
70.99860	3.9
75.96488	1.1
76.71425	1.0
77.00913	1.7
82.99846	9.5
83.93861	1.2
86.99268	1.2
89.00896	1.8
94.58244	1.1
97.00871	1.4
97.01394	7.9
97.02859	1.7
101.00889	76.4
107.30676	1.1
111.82562	1.0
113.00890	8.5
115.02442	21.1
117.04031	2.3
119.01931	100.0
120.01987	1.4
126.98801	3.1
127.02415	1.3
127.05112	1.2
129.04007	6.5
131.01923	18.8
131.05557	1.8
133.03474	31.6
135.05035	1.3
136.06187	2.5
137.02968	10.8
139.03920	4.6
143.01913	27.3
144.99835	3.3
145.03493	6.6
147.01392	3.1
147.05113	6.0
149.02992	3.0
151.04573	3.0
155.01938	3.5
157.03528	2.8
159.01425	2.5
161.02966	55.8
161.06653	1.6
162.03215	1.3
168.99837	13.4
171.01381	13.9
172.99350	1.7
173.02950	14.0
175.00891	3.7
175.04567	2.4
177.02449	2.0
179.04077	2.6
185.03021	3.6
187.00899	28.6
187.04507	7.7
189.02457	12.9
191.03989	8.9
196.99304	5.9
197.24529	1.1
199.00894	15.5
199.04532	6.0
201.02429	5.6
203.00407	1.8
203.04039	3.0
205.01982	12.0
205.05559	1.3
207.03535	2.0
211.04500	1.8
215.00400	27.1
217.01950	27.6
217.05487	1.6
219.03532	11.4
221.05159	1.9
229.01927	10.9
229.05649	3.2
231.03531	3.5
233.01405	5.6
235.03026	1.4
247.03032	29.1
251.02798	1.4
257.05228	1.7
259.02969	2.5
265.04007	5.4
277.04129	4.7
289.04095	9.5
289.07706	13.6
293.03537	1.6
304.91940	1.0
307.05148	4.6
307.08731	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	288.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98579	0.6
53.03946	1.2
53.14081	0.7
55.01862	3.6
58.99592	1.1
67.05502	1.7
70.06570	0.8
70.71867	2.6
71.52936	0.7
74.00656	1.5
79.05499	3.7
86.09713	1.0
88.03979	2.5
91.05488	21.7
92.35257	0.7
93.07079	1.0
95.04976	4.0
97.01104	3.0
103.05489	0.7
107.04958	29.3
109.02898	0.8
109.06535	1.2
111.02673	2.3
119.04953	20.2
120.01146	1.7
120.05727	6.5
121.01096	2.2
121.06522	1.7
123.02713	1.3
123.04433	9.5
125.00581	3.8
125.04205	4.0
135.02777	9.6
135.04420	49.0
136.05145	2.6
136.28371	0.8
137.05989	2.1
138.01317	0.8
139.02161	5.6
139.03908	1.8
147.02637	3.4
147.04417	12.9
148.05199	13.6
149.00577	14.8
150.06688	0.8
151.02136	8.7
151.03896	4.1
153.03705	13.3
153.05502	1.7
163.02133	6.4
165.05498	1.9
166.00858	3.8
166.06264	33.2
167.01634	35.0
168.02184	0.8
169.03209	1.7
175.02135	2.1
179.01620	0.8
181.03188	100.0
182.03510	1.7
192.02434	2.9
193.03215	1.5
197.02768	1.1
199.04251	81.3
200.04425	1.0
207.04747	9.8
214.05730	0.9
225.05785	1.4
225.24745	0.7
271.06381	44.1
272.06638	1.0
288.05811	3.4
288.09036	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.01874	2.0
55.05513	1.2
56.05043	1.5
56.96564	1.7
57.03436	2.7
63.99610	1.0
66.07121	0.9
67.05511	2.0
68.99792	2.0
69.03427	1.1
70.06593	3.5
71.05002	1.6
71.55314	1.3
72.08179	1.1
78.04723	1.1
79.05495	10.0
81.07047	3.2
83.08620	1.1
84.08146	1.2
85.02927	1.0
86.06052	1.8
86.09715	4.2
91.05486	5.0
93.07047	2.2
95.04970	1.5
97.00579	1.4
98.08707	0.9
98.09679	1.4
98.97602	2.3
98.98460	2.4
99.02634	1.0
99.08149	1.2
103.05482	7.4
105.03396	1.0
105.07023	6.4
106.04154	1.0
107.04967	56.5
107.08602	1.0
110.86426	1.0
111.00805	1.5
112.80279	0.9
114.09167	1.4
115.05486	2.7
117.07032	1.9
121.06511	1.1
123.04420	4.2
124.05239	2.5
125.06057	1.3
131.04939	2.3
133.06516	2.1
135.08061	14.7
137.06001	1.9
142.51486	0.9
147.04420	1.8
149.06004	2.6
150.33582	0.9
151.03911	1.2
152.04715	2.0
153.01857	1.2
154.06253	2.4
163.07558	36.8
165.05453	1.7
167.07054	100.0
170.06230	1.1
177.05452	1.3
177.06721	6.5
180.07849	3.5
181.08702	1.8
183.92084	1.0
190.18835	1.0
193.08585	2.5
195.10176	25.8
199.04051	1.1
203.05740	1.1
211.09639	4.9
213.05510	1.1
213.11238	25.6
241.04956	1.2
245.04375	1.6
287.05515	16.3
287.10480	6.8
287.14316	4.6
287.17188	2.1
287.20294	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0917
Annotation	4',5',7-Trihydroxy-2'-methoxyisoflavene
Peak:m/z	Relative Intensity
53.03926	0.4
55.01871	0.6
55.05492	0.4
62.56965	0.3
65.03934	1.4
66.63701	0.3
67.01866	1.0
67.05518	2.9
68.99792	2.4
69.03436	1.5
69.07063	0.4
79.05497	1.4
81.07067	0.7
82.04205	1.1
83.04997	0.6
85.02908	3.1
89.00202	0.3
89.03912	0.6
91.05497	1.0
93.03409	1.4
93.07030	0.9
95.04979	2.8
95.08606	0.9
97.06525	3.4
98.97605	0.5
105.07026	0.7
107.04958	1.7
109.10155	0.5
110.03665	2.6
111.00831	0.4
111.04440	1.1
119.04974	0.9
121.02874	1.7
121.06491	0.5
121.10171	0.5
123.04438	47.8
125.06006	10.3
129.07022	0.7
131.04883	0.6
133.02925	0.7
133.10191	0.4
134.03662	0.5
135.04416	4.1
135.11673	0.4
137.00569	0.3
137.02335	1.9
138.03128	8.7
139.03909	1.1
147.04414	6.6
148.05173	0.8
149.02356	0.4
149.06000	0.7
152.06236	0.3
153.01903	7.2
153.05476	100.0
154.05898	0.4
157.06519	1.2
157.10072	0.4
159.08023	0.4
159.11725	0.5
161.02339	0.9
161.06003	0.4
162.03180	2.0
163.03912	5.0
164.64403	0.3
165.01820	0.6
165.05450	0.5
171.02945	0.4
171.04446	0.7
177.05484	14.4
181.06458	1.7
185.06018	1.6
193.04927	0.7
196.61891	0.3
199.07530	1.7
203.03444	0.4
209.06018	0.8
209.40332	0.4
213.05525	1.3
213.09027	0.5
226.06511	0.3
227.06976	2.9
237.05661	0.6
241.05005	1.2
241.08745	0.4
255.06558	6.1
259.06219	0.6
259.09674	1.3
269.04721	0.5
269.08136	1.4
287.05551	75.8
287.09030	9.6
287.23621	0.6
288.05908	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0916
Annotation	Homobutein
Peak:m/z	Relative Intensity
53.03944	0.9
55.01864	0.5
55.05507	0.7
56.96555	1.3
57.07066	0.7
63.02367	0.5
65.03938	1.0
67.01860	1.5
67.05498	1.5
68.99789	6.0
69.03407	0.5
69.07052	1.0
70.72265	1.1
79.05477	1.7
81.02985	0.7
81.03426	7.9
81.07033	2.4
85.02920	0.4
89.03918	5.3
91.05480	1.6
93.03441	0.7
93.07035	1.9
95.04955	0.7
95.08607	1.6
96.02116	1.0
98.97585	0.8
98.98472	0.7
105.07035	1.2
107.04947	1.3
107.08607	1.4
109.02864	0.9
109.10131	0.7
110.03654	0.6
111.00797	0.9
111.04448	1.9
113.65292	0.4
115.05479	0.4
116.98605	0.6
117.03390	15.2
117.04240	0.8
117.06991	0.5
119.04971	0.8
119.08575	1.1
121.02924	0.5
121.06506	1.4
121.10158	1.2
123.04414	1.3
123.11726	0.5
125.05989	0.5
126.05553	0.8
127.03895	1.5
129.06984	0.5
130.93323	1.3
131.08556	0.5
133.10139	0.6
134.03670	1.5
135.04411	5.9
135.08067	0.7
136.05209	0.6
137.02344	100.0
137.05956	1.3
137.09589	0.5
145.02847	26.5
145.10089	1.2
147.04385	1.5
149.05983	4.1
149.09619	0.6
150.03140	1.2
151.07510	1.3
152.01149	0.6
152.06229	0.5
153.00719	0.8
153.01851	10.0
153.05461	1.1
153.06998	0.6
155.03409	3.8
157.06474	0.7
157.10127	0.7
159.11684	1.0
161.02412	0.7
161.09622	0.6
162.03165	1.3
163.03908	12.5
167.03470	0.7
171.02966	0.9
171.04442	0.9
171.11681	0.7
172.94383	1.7
173.13272	0.9
175.01530	0.8
175.04025	0.5
177.05475	39.4
179.03293	0.5
181.06525	1.8
185.00847	1.4
185.05968	1.3
186.05431	0.8
189.05414	0.6
190.95416	2.4
199.03877	1.2
199.07556	0.5
203.03415	0.9
208.96474	1.1
209.06018	0.5
213.05421	1.1
213.09114	0.6
217.04922	0.7
217.08629	1.0
219.06502	0.7
226.06291	1.0
227.06976	0.6
227.17986	0.6
232.96455	2.3
241.05005	1.9
241.08614	1.4
244.07182	0.5
245.04439	0.8
250.97516	1.3
253.05029	0.5
254.05707	0.8
257.04504	1.4
263.49338	0.5
269.04510	1.2
269.08105	3.2
269.19022	0.7
271.05981	1.0
272.06827	2.0
287.05548	95.8
287.09155	71.3
287.20016	1.9
287.23401	0.8
288.05896	1.0
288.09451	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03942	0.1
54.36047	0.1
55.01863	0.2
55.05502	0.2
56.05040	1.3
56.96568	0.2
58.99591	0.3
60.04508	0.2
62.29300	0.2
67.01868	1.3
67.05512	0.3
68.99797	1.8
69.03436	1.9
69.07047	0.2
70.02953	0.2
70.06578	0.2
71.04994	0.2
71.55595	0.3
76.02233	0.2
79.01881	0.2
79.05521	0.7
80.05016	0.2
81.03423	0.3
81.07048	0.5
82.06536	0.2
84.04508	0.3
85.01117	0.5
86.00656	0.2
86.06095	0.8
89.03902	0.7
91.05477	0.3
93.07050	0.3
94.06575	0.2
95.08573	0.2
96.08150	0.2
97.01122	0.2
97.06540	0.2
98.09705	2.3
98.97588	0.6
103.05494	0.3
104.07097	0.2
104.15375	0.1
105.07027	0.3
106.68757	0.1
107.04965	1.5
107.08567	0.2
108.08127	0.3
110.09688	0.5
111.00842	0.4
111.04428	0.2
113.04230	0.5
115.05537	0.2
116.98575	0.3
117.03426	0.8
121.02888	0.6
122.09696	0.3
123.04436	0.2
126.05518	0.4
129.01848	0.2
130.08621	0.2
135.04433	4.8
135.08034	0.2
136.07613	0.2
137.02330	1.6
139.05525	0.2
140.07063	0.6
147.04393	0.4
149.06052	0.2
153.01840	12.0
156.08423	1.6
157.06462	0.4
158.99712	0.2
161.02321	1.2
163.07516	0.9
167.04967	0.2
167.07069	1.7
171.02885	0.9
171.04385	0.4
172.04291	0.7
173.09335	0.2
177.22673	0.2
179.03375	0.3
183.02882	0.2
184.13364	0.9
185.05968	0.5
189.05499	0.3
195.10207	0.6
197.05856	0.2
199.03915	0.4
203.03395	0.6
213.05513	0.9
213.11118	0.5
231.06534	0.4
241.04955	1.7
244.10019	0.4
245.04425	0.4
258.05246	0.3
259.06088	0.4
269.04535	0.6
269.08975	0.2
269.13129	0.9
287.05518	100.0
287.14212	4.6
288.05820	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0915
Annotation	Kukulkanin B
Peak:m/z	Relative Intensity
55.05515	0.7
56.96556	1.2
63.00041	0.6
65.03934	2.0
67.05495	1.1
68.02647	1.0
68.99786	2.2
69.07063	1.0
70.20010	2.1
79.05467	1.6
81.07043	1.2
83.04977	1.5
83.08604	0.6
89.05170	0.5
91.04969	0.9
91.05490	11.3
93.07035	1.5
95.04954	1.3
95.08580	1.2
96.02087	0.7
97.06506	0.6
98.97588	1.6
98.98417	0.5
105.07057	1.7
106.00502	1.0
107.01305	1.4
107.04962	1.0
107.08607	0.8
109.10182	0.8
111.04465	0.7
116.98576	0.9
119.04949	25.9
119.08572	1.0
120.05727	1.1
121.02878	1.2
121.10133	1.2
123.04441	1.7
124.01578	5.1
124.99973	0.7
130.93333	0.7
133.10184	0.9
135.00810	0.6
135.04440	2.1
135.08118	0.5
137.02351	1.5
139.03923	2.2
145.06522	0.6
145.10037	0.5
147.04419	54.7
148.04797	0.5
152.01054	59.3
153.01852	6.6
153.05318	0.8
154.35966	0.6
157.10092	0.9
159.11684	0.8
167.03410	100.0
168.03706	0.8
170.02119	17.8
171.04379	0.9
172.94325	0.9
175.03888	1.0
181.06467	1.1
185.06004	0.8
190.95474	1.1
193.04993	0.8
195.08057	0.6
197.05968	0.7
199.03888	1.0
199.07585	0.7
199.14986	0.7
203.03481	0.6
209.06026	1.9
213.05476	1.5
226.06145	1.0
227.07034	1.3
232.96431	1.7
241.05061	1.0
241.08650	2.3
245.04532	1.3
250.97600	0.7
251.07069	0.9
255.06592	2.4
269.04541	0.9
269.08127	2.2
269.19119	0.6
269.22415	0.6
272.06857	1.9
287.05548	49.5
287.09152	87.1
287.23404	1.1
288.05798	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Luteolin
Peak:m/z	Relative Intensity
60.99161	0.2
67.01865	1.9
68.04985	0.2
68.99792	1.5
70.16311	0.7
70.16651	0.2
76.28284	0.2
79.05492	0.4
81.69419	0.2
89.03947	0.9
107.04970	0.3
111.00823	0.3
117.03410	1.0
125.02386	0.2
129.01860	0.3
129.06993	0.2
135.03394	0.3
135.04428	5.1
137.02400	1.3
137.03264	0.2
153.01839	13.3
157.06587	0.2
161.02359	1.2
171.02939	0.5
179.03416	0.6
180.89731	0.2
185.05954	0.4
199.03856	0.3
203.03383	0.3
213.05473	0.6
241.05093	1.4
253.34491	0.2
259.05975	0.2
269.04477	0.9
287.05511	100.0
288.05792	1.6
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	Luteolin
Peak:m/z	Relative Intensity
53.03948	0.1
55.01856	0.1
55.56386	0.1
56.96563	0.1
57.92972	0.1
58.35510	0.1
67.01534	0.1
67.01871	1.5
67.05511	0.1
68.99438	0.1
68.99793	1.5
69.00167	0.1
69.03421	0.1
69.39803	0.3
69.40221	0.1
79.01897	0.1
79.05510	0.3
81.03411	0.2
81.07056	0.1
83.01302	0.1
83.08611	0.1
85.02909	0.2
85.79438	0.1
89.03928	0.9
91.05490	0.1
91.85667	0.1
95.04957	0.1
95.08595	0.1
97.02888	0.3
98.97582	0.1
105.03399	0.1
105.07036	0.1
107.01311	0.1
107.04983	0.5
107.08582	0.1
109.02876	0.2
111.00803	0.3
111.04438	0.2
111.15440	0.1
112.90112	0.1
115.05489	0.1
117.03388	0.9
117.07037	0.1
119.08568	0.1
121.02878	0.2
121.10127	0.1
123.04424	0.1
125.02370	0.2
127.03907	0.2
128.06250	0.1
129.01907	0.3
129.07021	0.1
131.04950	0.1
133.02808	0.1
135.04422	4.8
137.02359	1.2
137.03401	0.2
139.05434	0.2
141.06996	0.1
143.01247	0.1
145.06473	0.1
147.04445	0.2
149.02266	0.1
153.01836	12.3
154.02162	0.1
157.06464	0.3
161.02353	1.4
165.01749	0.1
167.03592	0.1
167.05009	0.2
171.02893	0.7
171.04427	0.2
177.05428	0.1
179.03375	0.6
179.04732	0.1
183.04358	0.1
185.05925	0.4
189.05453	0.1
195.04379	0.1
199.03915	0.2
201.05437	0.1
203.03499	0.3
203.07039	0.1
213.05473	0.7
217.04987	0.2
219.06514	0.2
224.06387	0.1
231.06517	0.2
241.04962	1.5
245.04410	0.2
258.05280	0.1
259.06024	0.3
263.05609	0.1
267.05542	0.1
269.04477	0.8
285.06482	0.2
286.04584	0.1
287.05508	100.0
288.05804	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54643	3.4
56.96566	56.0
63.67370	3.8
67.05503	6.0
68.99805	11.1
69.03436	7.0
69.23249	38.6
70.06598	27.4
71.04991	5.0
71.95264	4.7
72.08161	5.8
74.97615	4.4
79.05487	6.0
84.08130	5.2
86.06059	11.6
86.09717	15.4
91.05476	4.8
95.04964	3.4
97.02940	4.8
98.97602	18.9
99.08106	4.1
107.04957	10.1
111.00832	6.5
115.58344	3.6
116.98637	8.5
118.06565	6.9
122.06019	7.4
123.04419	5.2
128.08223	7.2
129.02254	4.2
137.05989	6.2
140.07178	4.3
146.06039	5.5
147.03316	5.2
147.04405	8.9
149.06010	6.0
153.01822	4.6
153.05438	5.6
157.05392	7.6
170.06390	7.9
171.04500	5.0
172.90102	3.5
173.04874	9.3
174.08791	17.6
175.06456	17.8
178.98642	5.0
181.07672	4.7
181.13443	7.3
185.07208	8.6
191.05898	7.0
193.07466	6.8
195.09201	7.9
199.03877	5.4
201.04309	8.1
203.03438	8.3
211.08742	4.3
213.05351	7.0
213.10205	3.9
217.04945	4.9
219.05421	22.3
223.08708	16.2
226.07404	4.5
227.13892	7.6
237.06465	24.4
241.09836	7.8
241.13411	10.4
241.37755	3.7
245.04454	8.8
251.08026	5.9
269.04459	8.3
269.09314	11.7
269.12881	14.7
287.05521	100.0
287.10385	75.6
287.13885	21.3
287.16681	29.6
287.19925	4.6
306.68207	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	286.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
54.20110	0.5
55.05519	1.9
56.05034	1.5
56.96571	2.9
57.03448	1.2
59.05009	1.8
61.02931	4.8
65.10201	0.6
68.05033	1.0
68.29683	0.6
69.03435	4.0
70.06596	100.0
70.20155	0.9
70.20541	1.3
71.04993	5.6
72.08167	1.1
73.02917	1.1
79.05519	2.7
79.71170	0.5
80.05042	1.2
81.04539	1.7
81.07062	8.4
81.07510	0.6
82.05338	1.7
83.06115	11.6
84.04501	1.1
84.08149	1.3
84.96013	0.5
85.02909	3.3
85.08518	0.6
87.08120	1.7
93.04533	8.0
95.06097	15.8
97.02904	1.8
98.21462	0.8
98.97603	2.9
101.07149	0.8
107.06075	3.2
109.02864	0.6
110.07174	92.3
111.05589	1.4
112.07613	92.5
113.07969	0.9
113.09634	0.7
114.05576	0.8
116.98675	1.1
120.06877	0.7
121.07638	1.9
123.04455	1.3
124.03967	27.5
124.07607	1.0
124.99084	0.6
127.03922	1.2
129.06662	1.0
140.07074	53.4
142.01712	0.8
145.04996	0.7
147.07727	1.0
154.64821	0.6
156.07693	12.2
157.09744	4.5
158.99702	1.1
160.02861	1.4
161.02995	0.9
163.12314	45.4
166.06140	2.1
169.03209	0.9
178.03995	0.7
179.56177	0.5
180.12468	0.6
184.02881	0.5
185.09225	2.6
186.04391	1.1
190.13403	6.5
193.13431	1.6
195.53929	0.7
202.03958	1.3
208.14452	9.6
209.12918	0.7
210.16068	1.4
212.15173	0.6
219.11317	2.4
223.07529	0.9
236.13930	7.7
240.17101	6.8
241.15454	0.9
244.04823	0.6
246.02870	1.2
254.15022	19.1
268.12952	1.0
268.16644	1.1
286.09219	4.2
286.14380	3.4
286.17621	62.2
287.05582	2.1
287.11090	3.5
287.17892	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0924
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
53.03944	1.0
55.86922	0.5
55.93520	0.8
56.96578	2.9
58.99593	0.5
61.02941	1.0
64.58733	0.6
66.13284	0.5
67.05497	0.9
68.99792	2.4
69.03425	2.2
69.07067	1.0
70.06596	18.3
72.04541	0.6
73.02939	0.7
76.02229	1.6
78.03469	0.7
80.05027	2.3
81.03413	1.6
84.04503	1.6
84.08149	3.1
85.02920	6.6
86.09741	0.7
86.99046	0.6
91.05526	0.6
95.04996	4.6
95.06059	0.6
96.04494	1.7
97.02900	1.9
98.97588	1.8
105.00020	0.7
106.02917	1.9
109.02889	1.5
110.07168	2.5
110.97557	0.6
111.00777	0.9
112.07613	13.7
116.07118	1.0
116.98628	1.2
119.04935	0.7
122.02735	4.9
123.04439	22.6
124.03963	100.0
125.04288	0.8
127.03899	1.7
132.08092	0.8
140.07085	6.3
145.05017	1.1
147.04427	1.4
150.99205	0.7
151.03848	0.8
153.01833	0.6
154.05009	1.4
158.99635	0.8
161.04797	1.0
162.05547	0.9
163.03917	0.5
163.12329	0.8
165.05493	8.1
169.03149	1.2
171.04504	0.6
173.01242	0.7
175.03896	1.4
178.08667	0.7
179.75882	0.5
183.14894	0.8
185.09239	3.0
194.12961	0.7
199.04005	1.1
203.03404	2.0
213.05505	1.7
217.04962	0.5
223.07663	1.1
240.10152	1.0
240.13635	0.7
245.04526	0.9
250.07095	0.7
254.15021	0.5
259.06149	0.8
268.08237	0.7
268.96695	0.7
269.04474	1.1
274.29547	0.5
286.09351	7.1
287.05475	7.2
287.10837	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1399
Annotation	HC Blue No. 2
Peak:m/z	Relative Intensity
55.05510	0.7
56.05032	0.9
56.96571	3.3
57.03441	1.2
59.05003	2.1
61.02927	3.9
68.05030	1.3
69.03440	2.3
69.97442	2.0
70.06597	100.0
71.05006	2.9
73.02914	1.1
79.05505	1.1
80.05032	2.3
81.03419	0.8
81.04558	0.6
81.07063	5.6
81.82260	0.5
82.05346	1.1
83.06106	6.6
84.04497	0.9
84.08141	0.9
85.02927	3.0
87.08109	0.8
91.05453	0.5
93.04525	3.7
95.06097	10.8
96.04497	1.5
97.02910	1.7
98.97601	3.6
99.04507	0.5
101.00886	0.7
106.02945	0.7
106.06612	0.5
107.06103	1.8
109.02891	0.7
110.07174	62.1
111.05594	0.8
112.07613	95.7
116.07052	0.8
116.43784	0.5
116.98648	1.6
119.06043	0.6
121.07698	0.6
123.04478	1.6
124.03964	48.2
124.07607	1.5
128.63263	0.5
128.98619	0.6
130.05005	0.7
130.08701	0.7
140.07076	55.8
146.09607	0.6
147.07634	0.9
151.12433	0.5
154.04971	0.5
154.94147	0.6
156.03346	1.1
156.07701	7.4
157.09743	4.7
158.99661	0.9
160.02850	0.8
161.02945	0.8
161.04854	0.9
163.12315	35.0
166.06166	1.1
169.03221	0.6
174.04408	0.7
174.53381	0.5
178.03876	1.5
185.07793	0.5
185.09187	2.9
186.04385	1.7
190.13399	5.0
191.03990	0.6
193.13454	0.6
195.53954	1.0
201.85336	0.5
204.05409	1.0
204.54507	1.1
208.14452	7.8
212.15268	0.8
219.01805	0.9
219.11295	1.8
221.05013	0.6
223.07544	0.8
236.13985	6.1
240.13387	0.5
240.17073	5.8
241.15373	0.9
244.12834	0.6
246.02931	1.2
254.15016	13.7
268.13037	0.5
268.16730	0.5
286.06030	0.8
286.09250	7.3
286.14252	3.3
286.17609	39.0
287.02603	0.5
287.05679	2.3
287.11075	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	285.2214
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
53.03953	4.6
55.05518	27.9
56.29639	4.9
67.05513	43.2
69.03423	7.1
69.07078	65.0
69.84294	19.9
71.04997	7.7
73.09782	4.4
79.05504	24.8
81.07063	56.8
83.04966	5.4
83.08619	14.1
83.99731	4.8
85.02892	5.2
91.05483	41.7
93.07038	42.0
95.04960	18.1
95.08611	65.3
97.06532	23.4
97.10156	6.4
97.11316	5.3
105.07030	78.5
107.05014	4.5
107.08601	45.0
109.06538	28.2
109.10155	44.1
111.08069	10.4
116.91500	5.2
117.07024	9.1
119.04902	5.9
119.08588	96.3
121.06500	15.3
121.10164	48.8
123.08071	9.5
123.11729	25.3
129.07019	6.0
131.08551	14.5
133.10147	56.4
135.08041	21.4
135.11690	21.4
137.09569	6.7
137.13248	6.8
142.07761	8.1
143.08543	9.6
145.10123	24.5
146.07317	7.4
147.04378	9.4
147.11694	32.7
149.13246	12.9
155.08574	9.9
156.09450	5.3
157.10158	13.5
159.11684	19.9
161.09615	100.0
161.13242	9.8
165.01830	16.9
165.12668	6.2
169.10042	9.4
171.11678	11.3
173.09601	6.1
173.13219	11.4
175.14851	65.5
177.16414	14.3
181.01343	5.7
185.13252	14.7
187.14763	6.6
189.97409	5.1
193.15897	17.3
196.12500	5.7
197.13240	14.6
199.14960	6.0
201.16371	5.0
202.49080	4.6
211.14796	14.6
233.92709	4.7
267.21042	17.3
270.05316	7.7
285.07550	36.9
285.17090	7.0
285.22119	49.1
285.29956	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.01865	2.4
55.05511	15.1
57.03441	23.9
58.42429	1.0
61.19351	0.9
65.03931	1.3
67.05507	32.0
69.03429	1.4
69.06731	1.3
69.07069	18.7
70.92495	2.7
71.04983	6.6
79.05499	18.1
81.03415	2.0
81.07058	100.0
83.04983	7.3
83.08624	10.8
85.02896	1.2
85.06548	6.9
91.05488	28.2
91.59822	1.0
93.07038	12.2
95.04961	2.6
95.08607	18.2
97.06532	6.7
97.10220	1.2
99.08077	5.1
99.69862	0.9
101.06023	1.8
105.07034	37.4
107.08607	11.3
109.06501	5.9
109.10154	2.3
111.08070	2.4
113.06007	2.5
115.07592	1.5
117.07011	1.2
119.08582	28.9
121.09328	1.3
121.10147	19.5
123.08044	3.7
123.11720	27.1
127.07535	3.2
129.07019	2.9
131.08505	1.4
133.10110	3.2
137.13242	3.1
141.09096	1.4
142.07790	1.2
145.10109	1.3
147.04504	1.4
147.11690	78.1
157.10156	6.1
165.01849	3.7
165.11404	2.0
165.12766	37.1
175.11162	4.3
183.13792	3.9
193.12187	3.6
211.13266	1.7
229.14365	6.2
267.15967	3.0
285.07660	7.3
285.11499	2.1
285.16949	40.2
285.21808	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.6
53.53494	0.9
53.73751	1.0
55.01862	2.7
55.05275	1.5
55.05513	19.2
57.03439	24.5
57.07072	2.5
65.03921	2.1
67.05508	39.9
69.03418	1.4
69.07069	22.4
71.04991	6.1
71.08615	4.5
71.55004	2.0
79.05495	23.3
81.03046	0.9
81.03426	9.2
81.07059	100.0
83.04989	9.7
83.08622	13.6
85.02905	5.6
85.06527	7.4
88.11266	3.2
91.05476	32.2
93.07041	16.9
95.04967	7.1
95.08610	22.4
97.06514	9.8
97.10168	1.6
98.97544	1.6
99.08076	5.0
101.06004	1.6
105.07033	37.1
107.08587	13.0
109.06499	7.5
109.10140	3.0
111.08060	2.7
113.06005	2.6
115.07578	0.9
117.07016	2.0
119.04954	2.2
119.08575	30.6
121.10146	21.0
123.04429	3.6
123.08064	7.4
123.11713	31.8
127.07545	3.6
129.07010	4.2
131.08566	3.6
133.03465	1.2
133.10123	3.7
135.08067	1.2
135.11703	1.3
137.02303	3.2
137.09587	1.4
137.13242	2.6
141.09093	1.7
141.55962	1.0
142.07805	1.4
145.10088	1.6
147.11691	77.0
151.03865	6.6
157.10095	4.3
161.05917	1.4
163.00238	3.1
165.01842	36.8
165.12761	32.1
170.15425	16.4
175.03934	1.4
175.11215	5.8
181.01317	7.2
183.02873	6.3
183.13791	3.5
193.12206	9.0
198.14873	15.8
204.11722	1.5
211.13315	5.7
229.14369	5.8
257.04617	1.4
257.07956	1.4
267.15915	3.6
270.05191	1.8
285.07553	13.6
285.10492	1.4
285.16949	43.8
285.25223	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01872	2.8
55.05515	15.0
57.03442	20.9
57.07073	1.5
63.62059	0.7
65.03933	1.4
67.05511	35.1
69.03435	0.8
69.07072	19.9
69.38693	5.9
71.04993	5.5
74.70442	0.7
79.05063	1.4
79.05502	20.0
81.03422	1.3
81.07063	100.0
82.62358	0.8
83.04980	7.1
83.08621	9.2
83.78166	0.7
85.02889	0.9
85.06564	7.6
91.05489	28.2
93.07049	13.0
95.04979	2.2
95.08618	19.2
95.09232	0.9
97.06537	7.9
98.20811	1.8
99.04419	1.1
99.08083	5.3
101.06055	1.4
105.07038	38.3
107.08601	13.2
109.06535	7.2
109.10159	2.4
111.08089	1.8
113.06003	1.3
115.07578	0.8
117.07005	0.9
119.08591	32.5
121.09319	1.6
121.10157	20.9
123.08049	3.9
123.10822	1.6
123.11721	33.9
125.09566	0.8
127.07572	3.4
129.06998	1.5
131.08565	1.6
133.10127	3.1
137.13271	2.7
141.06975	0.9
141.09109	0.9
145.10014	0.7
147.11694	74.7
157.10150	4.1
165.12766	34.7
175.11206	3.2
183.13820	3.6
193.12236	2.9
211.13268	1.3
225.09128	1.6
229.14410	4.5
242.05725	1.0
243.11310	1.0
248.88960	0.8
253.08449	1.9
267.15894	3.3
270.05151	1.6
285.04004	1.8
285.07596	5.2
285.12018	1.2
285.16965	41.9
285.22052	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
54.06473	0.9
55.01857	2.7
55.05516	15.7
56.96555	1.8
57.03444	22.9
58.80198	0.8
65.03931	1.7
67.05511	31.6
69.03410	1.5
69.06732	1.1
69.07078	18.7
69.32040	5.7
71.04987	6.6
73.71038	0.9
79.05065	1.4
79.05499	19.8
79.13728	0.7
81.03424	1.4
81.07064	100.0
83.04986	8.2
83.08628	9.6
85.02879	0.9
85.06558	6.4
91.05491	26.6
93.07054	12.6
95.05000	4.8
95.08060	1.6
95.08620	20.2
97.06535	9.3
97.10175	1.6
98.97577	1.2
99.08124	4.6
101.06050	1.5
105.07039	41.1
107.04982	1.3
107.08606	13.5
109.06554	6.4
109.10134	3.2
111.08075	1.9
113.05998	2.4
115.05452	1.0
116.77634	0.9
117.07017	1.8
119.08591	28.9
121.09327	1.2
121.10158	19.9
123.08064	3.8
123.11718	29.7
125.09535	0.9
127.07586	4.6
129.07004	3.8
131.08569	2.4
133.06444	1.0
133.10158	5.1
134.03642	5.2
137.02368	10.1
137.13246	2.6
141.07002	2.3
141.09103	1.3
142.07794	1.7
145.10110	2.5
147.11700	80.8
157.10121	5.9
163.03734	0.9
165.01845	7.7
165.06927	1.1
165.12776	34.6
169.06493	1.9
175.11194	6.6
181.01326	1.7
183.02924	0.9
183.13823	3.7
186.06807	2.3
189.00781	1.0
193.12262	3.8
197.05983	3.9
203.03404	21.3
213.05507	8.0
214.06206	5.6
225.05498	8.8
225.09178	2.6
229.04999	9.8
229.08601	1.9
229.14377	15.0
241.11153	2.6
242.05779	3.4
243.11284	2.2
253.04988	14.6
253.08586	2.2
257.04480	66.8
258.04874	2.1
259.12299	2.8
267.15894	3.3
269.04486	4.9
270.05237	23.6
285.04077	3.6
285.07587	83.0
285.16946	43.1
285.22162	2.5
286.07883	1.2
286.17435	1.1
303.11191	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01886	1.8
55.05512	15.0
57.03439	22.6
57.07073	1.3
59.05010	1.0
65.03947	2.0
67.05506	37.8
67.22021	0.6
69.03440	1.1
69.07070	20.3
70.20074	2.5
71.04997	6.8
73.06577	0.9
76.34476	0.6
79.05061	1.4
79.05496	20.2
81.03435	4.5
81.07060	100.0
82.07389	0.8
83.04979	7.2
83.08620	11.3
85.02896	3.3
85.06556	7.6
91.05484	29.3
93.07045	13.9
95.04973	4.3
95.08608	22.4
97.06520	8.0
97.10179	1.3
99.08111	4.9
101.06029	1.6
105.07030	39.3
107.05003	0.7
107.08598	14.2
109.06525	6.5
109.10166	2.7
111.08080	2.0
113.06033	1.9
119.08584	29.7
121.10149	21.9
121.11032	0.9
123.08071	5.0
123.11707	32.4
127.07540	3.0
129.06999	3.0
129.09064	0.7
131.08571	2.0
133.10187	3.3
137.09648	1.1
137.13269	2.7
141.09076	2.0
142.07802	1.2
145.10161	1.1
146.03564	0.8
147.11694	80.6
149.09557	1.2
157.10124	4.8
165.12761	39.3
175.11183	4.7
183.13768	4.9
193.12277	4.7
211.13290	3.0
229.14322	5.6
267.15848	4.7
285.04221	1.2
285.07516	4.5
285.16949	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	285.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01878	2.2
55.05517	18.8
57.03193	1.8
57.03441	24.4
57.07069	1.2
57.64611	1.2
65.03936	1.6
66.04735	1.3
67.05509	34.6
69.06721	1.6
69.07069	18.9
70.85753	2.6
70.86119	1.2
71.04997	6.9
72.06391	1.1
73.06564	1.3
79.05498	19.9
81.03418	12.2
81.07061	100.0
83.04985	8.6
83.08625	12.7
85.02885	2.5
85.06547	6.3
91.04914	1.5
91.05487	30.3
93.07049	14.8
95.04989	5.7
95.08610	24.7
97.06532	6.7
97.10170	1.1
99.08083	3.7
101.06012	2.2
103.05444	1.5
105.07037	39.4
107.04956	1.4
107.08588	12.6
109.06538	6.6
109.10139	1.8
111.08079	2.1
113.06005	2.5
117.07032	1.3
119.08587	29.7
121.10156	21.0
123.08053	4.6
123.11715	33.9
127.07525	3.2
129.06996	3.3
129.09044	1.2
131.08574	3.4
133.10117	3.8
137.13242	3.1
141.09091	2.0
145.10147	1.4
147.11696	84.0
157.10211	5.5
165.01859	9.0
165.11400	2.7
165.12755	45.0
165.14149	2.2
167.82246	1.1
175.11198	7.3
183.02902	2.4
183.13815	2.7
188.03464	1.2
193.12233	10.0
194.92619	1.1
211.13287	1.5
225.09169	1.9
229.14325	7.1
253.08450	1.4
261.00916	1.2
267.15909	3.9
285.04623	1.7
285.07620	7.7
285.10483	1.4
285.16965	44.1
285.22083	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.0
55.01864	3.4
55.05265	1.3
55.05517	19.5
57.03443	26.0
57.07065	1.6
59.04993	1.5
59.91579	0.9
65.03952	1.4
67.05510	38.7
68.99777	1.5
69.03430	2.8
69.06723	1.4
69.07073	19.3
70.82798	2.2
71.04999	7.0
79.05066	1.4
79.05501	21.9
81.03424	26.1
81.07063	100.0
82.07408	1.0
83.04991	9.4
83.08623	16.6
85.02908	8.6
85.06549	7.7
87.04482	1.2
88.59611	0.9
91.05489	29.2
93.07051	15.7
93.28233	0.9
95.04980	11.9
95.08615	23.2
97.02918	1.2
97.06535	8.3
97.10168	1.3
98.97563	1.2
99.04431	1.1
99.08103	4.9
101.06025	2.0
105.07041	40.4
107.04952	2.4
107.08600	11.5
109.06524	6.0
109.10156	3.6
109.29953	0.9
109.30795	0.8
111.04478	1.3
111.08110	4.0
113.06002	2.9
117.07006	1.8
119.08588	30.0
121.02866	1.1
121.06564	1.2
121.10153	20.8
123.08057	4.1
123.11714	30.8
125.09605	1.0
127.07568	2.7
129.07016	4.1
131.08563	3.4
132.41469	0.8
133.10132	4.9
137.02347	4.7
137.09598	1.1
137.13264	2.5
142.07744	1.9
145.10147	2.5
147.08052	1.8
147.11697	76.3
149.02361	1.9
149.09615	2.0
157.10150	6.7
159.11668	1.3
161.05934	1.2
162.05513	1.8
165.12767	34.7
175.11192	9.1
183.13890	3.8
187.03943	2.3
193.12262	18.4
199.14732	1.5
210.06772	1.1
211.13297	7.8
211.15024	1.0
215.03419	3.7
225.09085	2.1
229.14307	7.3
243.11337	1.5
253.08594	2.4
257.04382	1.2
267.15900	5.9
270.05313	1.3
285.03958	5.9
285.07574	7.5
285.10794	1.7
285.11847	2.4
285.16983	38.0
285.22220	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	285.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
54.21944	1.4
55.01867	4.9
55.05519	15.7
56.96564	2.0
57.03442	21.8
59.05002	1.7
65.03925	1.8
67.05511	35.0
67.10381	1.2
69.03446	3.2
69.07074	21.1
69.20903	14.6
70.06589	1.4
71.04990	4.2
73.02911	1.7
79.05502	26.7
79.54698	1.3
81.03425	36.8
81.07063	100.0
83.05005	8.7
83.08621	14.5
83.60954	1.4
85.02900	5.5
85.06532	7.1
91.05485	33.7
93.07059	15.3
95.04989	14.2
95.08617	18.9
97.02904	2.0
97.06541	10.5
97.10186	1.7
98.21462	3.0
98.97568	1.6
99.08086	4.3
105.07040	44.0
107.04980	2.1
107.08610	11.4
109.06516	6.3
109.10176	5.0
111.08096	4.8
117.06996	1.6
119.08591	36.1
121.10157	21.8
123.08050	5.4
123.11722	29.7
127.07574	3.8
129.07014	9.2
131.08568	4.8
133.06512	2.5
133.10175	7.7
137.09633	1.9
137.13307	1.5
142.07779	2.1
145.10201	1.4
147.08049	1.8
147.11700	78.2
149.09674	3.5
157.10124	12.1
161.05986	2.4
165.12753	36.9
175.11177	12.4
183.13777	3.6
191.03381	3.5
193.06604	1.7
193.12250	21.7
211.13309	3.5
212.92494	1.5
221.06062	2.5
221.08368	1.4
225.09209	5.6
229.14389	26.2
253.08592	5.3
267.15985	5.5
285.07547	4.8
285.11761	6.3
285.16956	36.9
287.05524	4.4
292.80890	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.05267	1.2
55.05516	15.4
57.03441	20.9
57.41061	0.9
65.03929	1.5
67.05508	31.9
67.75629	0.9
69.07074	17.3
71.05005	5.7
71.08617	0.8
73.06540	1.4
79.05499	17.9
81.03449	1.4
81.07065	100.0
83.04987	6.1
83.08627	10.2
85.02888	1.2
85.06559	5.4
91.05491	23.1
93.07057	11.2
95.04967	3.3
95.08615	17.8
97.06557	5.8
97.10182	0.9
99.08079	3.1
101.06009	1.8
105.07037	36.9
107.08595	10.1
109.06525	4.8
109.10157	1.2
111.08109	1.3
113.06054	2.1
119.08591	26.2
121.10160	20.3
123.08075	4.0
123.11719	28.9
127.07549	3.9
129.06999	1.1
131.08571	1.5
133.10085	2.8
135.11612	1.3
137.13278	2.6
141.09123	1.3
142.07820	1.0
145.10136	1.4
147.11699	68.2
157.10152	3.5
165.01884	1.7
165.12769	35.5
175.11183	3.2
183.13785	3.7
193.12181	2.8
211.13271	1.0
229.14377	4.1
267.15909	3.2
285.07608	1.7
285.16989	40.3
293.66882	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1699
Annotation	Hysterone D
Peak:m/z	Relative Intensity
51.50268	1.8
53.03944	3.6
55.01874	4.4
55.05518	27.1
56.96568	3.2
57.03442	48.7
59.04993	3.1
65.03955	4.3
65.14074	1.9
67.05509	49.2
69.03429	6.2
69.07075	14.0
70.21635	4.9
71.05000	8.2
73.51982	1.8
79.05499	44.0
81.03426	100.0
81.07062	45.4
83.04979	23.0
83.08622	35.1
85.02911	71.5
85.06528	2.6
91.05490	50.3
93.07056	30.4
95.04969	43.5
95.08611	20.0
97.02893	4.5
97.06544	10.0
97.10188	5.5
98.97592	2.6
99.08115	2.4
100.11218	2.1
105.07042	37.3
107.04958	8.0
107.08600	11.4
109.06514	8.6
109.10175	5.8
110.75240	2.0
111.04476	4.8
111.08099	19.7
113.06021	8.2
119.08578	28.4
121.06470	3.2
121.10154	14.9
123.08054	5.2
123.11707	5.0
128.06261	3.7
129.06996	15.3
131.08577	17.8
133.06490	4.1
133.10155	17.5
137.09644	4.1
137.13350	2.0
142.07750	3.1
145.10178	2.2
147.08037	5.3
147.11693	27.6
149.09613	8.5
157.10132	19.3
159.11746	2.6
165.01895	3.6
165.12802	6.5
175.11195	23.6
178.09697	1.9
184.10603	2.4
193.12253	88.2
211.13324	50.5
225.09109	2.4
229.14337	3.7
247.36267	2.1
253.08702	4.4
267.15967	8.2
285.07422	10.7
285.12241	5.4
285.16962	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01865	2.6
55.05517	15.6
56.49341	1.5
57.03441	16.5
57.07072	3.8
61.23730	1.5
65.03919	3.0
67.05511	30.2
69.03435	2.5
69.07072	14.7
71.04996	7.8
71.55013	2.3
72.13815	1.5
79.05496	22.6
81.03416	4.0
81.07064	100.0
83.04967	6.2
83.08628	11.2
85.02910	2.3
85.06554	6.7
91.05486	24.8
93.07050	13.4
95.04962	4.7
95.08613	19.6
96.58969	1.5
97.06557	7.0
99.08097	4.8
101.06044	2.0
105.06394	2.6
105.07042	31.9
106.15232	1.5
107.08598	11.7
109.06513	4.8
109.10130	1.5
111.04432	1.5
113.05977	2.0
117.06975	1.7
119.04884	1.8
119.08591	27.6
121.10141	19.7
123.08080	5.3
123.11728	27.8
125.09654	1.8
127.07599	3.3
129.07021	2.4
133.10110	3.4
137.02380	1.8
137.13295	2.6
145.10156	2.8
147.04381	2.7
147.11696	68.2
149.09631	2.1
157.10153	2.9
165.01895	7.6
165.11409	2.2
165.12770	37.3
175.11235	4.6
183.02913	1.5
183.13806	5.1
193.12331	3.0
211.13297	2.3
229.14267	4.6
267.15833	3.4
285.07620	11.0
285.16852	37.3
285.21866	2.9
285.33472	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.4
55.01867	3.7
55.05516	24.8
56.96563	2.6
57.03192	2.1
57.03445	29.4
57.07080	1.7
63.59910	1.3
65.03944	1.8
67.05173	2.6
67.05512	39.1
68.99811	2.8
69.03422	3.6
69.06730	1.6
69.07080	25.3
70.66654	2.1
70.67012	4.7
71.04996	9.2
73.02919	1.7
79.05499	28.2
81.03432	19.1
81.07066	100.0
82.07389	2.0
83.04988	11.8
83.08623	17.6
85.02907	16.8
85.06529	6.7
85.06972	1.4
91.05489	31.4
93.07058	23.4
95.04980	13.5
95.08614	31.3
97.02925	2.3
97.06551	10.7
97.10180	2.3
98.15198	1.5
98.21512	1.6
98.97588	2.3
99.08106	4.3
101.06018	2.0
105.07041	40.1
107.04961	2.3
107.08607	16.9
109.06553	8.3
109.10151	6.7
111.08112	6.9
113.06033	2.3
115.16106	1.4
116.98629	1.7
117.07012	3.7
119.08601	34.3
121.06522	2.5
121.10153	22.5
123.08060	4.3
123.11723	31.6
127.07545	2.9
129.07040	7.5
131.08585	7.3
133.10136	9.2
135.11684	2.8
137.09639	2.4
137.13284	2.6
141.09090	1.6
142.07803	2.2
143.08542	2.8
145.10136	5.4
147.08035	1.9
147.11700	72.5
149.09607	4.5
149.13344	1.7
153.01834	2.1
157.10164	11.5
159.11702	3.9
161.06006	4.4
165.07021	3.2
165.12767	29.6
171.11676	3.1
173.13278	2.1
175.11150	9.1
182.07286	1.9
183.11592	1.5
183.13861	2.5
187.03908	1.9
189.16370	2.7
193.12247	19.2
197.13147	2.1
199.14760	3.0
211.13280	9.2
213.16454	2.5
221.06010	3.0
225.09093	5.5
229.04948	4.2
229.14348	5.6
241.03278	1.4
242.05838	1.3
243.06541	1.4
243.11288	4.5
253.08604	7.8
257.04483	5.4
257.08481	1.9
258.05289	11.3
267.15894	3.9
270.05191	3.1
270.08725	1.5
282.62723	1.7
285.03976	12.5
285.07523	13.4
285.11884	6.0
285.16956	41.8
285.22128	5.7
286.04794	11.7
287.05093	1.8
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	Unknow
Peak:m/z	Relative Intensity
50.35238	1.1
53.03932	2.5
54.31639	1.1
55.01862	3.5
55.05273	1.4
55.05513	19.0
57.03200	1.8
57.03440	22.4
57.07066	1.7
65.03944	1.9
67.05508	32.2
67.72820	1.2
68.99779	2.3
69.03419	2.5
69.07073	20.0
71.05001	6.9
73.06527	1.4
74.62591	1.1
79.05073	1.6
79.05498	21.2
81.03403	3.1
81.07060	100.0
83.04989	6.9
83.08614	9.9
85.06555	6.5
91.05486	29.6
92.99761	1.2
93.07049	12.2
95.04955	4.4
95.08055	2.4
95.08611	19.7
97.06538	10.0
97.10176	1.2
99.08094	3.4
101.06017	2.1
105.07038	37.5
107.04930	1.8
107.08597	13.8
107.57809	1.3
109.06511	6.6
109.10126	2.8
111.08094	1.9
113.05984	2.3
117.10451	1.2
119.07806	2.1
119.08591	32.7
121.06438	1.4
121.10153	20.0
123.08082	4.6
123.11719	32.5
127.07577	1.9
129.07004	2.2
131.08533	2.2
133.10173	2.1
137.09616	1.6
137.13231	3.0
141.01846	2.2
143.76865	1.3
147.11696	79.2
151.04004	1.4
151.96532	1.4
157.10107	3.6
163.83731	1.3
165.01848	38.3
165.12770	37.7
175.11163	3.4
183.02899	20.9
183.13797	5.2
193.12238	4.3
211.13354	1.9
215.97180	1.3
229.14285	4.0
267.06549	1.7
267.15891	4.0
285.07642	9.7
285.16937	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	285.1699
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03944	4.6
55.01878	4.9
55.05510	13.5
57.03441	23.2
59.77263	2.1
67.05508	30.2
69.03431	4.1
69.07083	9.4
69.51913	1.7
69.52224	11.4
71.05009	4.7
79.05500	26.0
80.01568	1.4
81.03426	100.0
81.07064	43.1
83.04990	10.3
83.08632	26.7
85.02914	27.4
85.06560	5.2
89.33443	1.5
91.05489	28.1
93.07049	17.1
95.04987	31.5
95.08602	11.2
97.02915	3.1
97.06522	6.5
97.10171	3.0
99.08076	1.8
105.07036	27.2
105.07689	2.3
107.04974	6.4
107.08608	9.3
109.06536	6.3
109.10173	3.4
111.04453	4.0
111.08089	12.2
113.06019	2.7
117.07019	1.8
118.30277	1.4
119.08592	19.8
121.06479	1.8
121.10162	13.8
123.08100	3.6
123.11744	8.2
125.06042	1.7
129.07016	13.2
131.08585	8.9
132.73318	1.6
133.06450	3.8
133.10135	9.4
137.06018	1.7
137.09627	2.4
142.07799	2.4
145.10143	2.0
147.08044	3.3
147.11690	33.5
147.12801	2.6
149.09650	4.9
151.03859	2.1
151.11330	1.4
157.10130	15.9
161.62242	1.5
165.12776	11.3
175.11176	18.9
193.12256	56.4
211.13292	23.3
214.70253	1.7
225.16048	1.5
229.14362	15.2
253.08551	2.7
267.15982	11.2
285.07581	6.0
285.12204	2.9
285.16983	28.4
285.22070	3.4
309.31485	1.8
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	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
55.01860	7.4
55.05273	2.6
55.05511	31.9
55.40053	2.2
57.03442	56.0
57.07068	3.3
59.04994	2.7
61.44629	1.7
64.87367	1.7
66.56951	1.6
67.05185	3.5
67.05508	48.6
68.99768	2.1
69.03412	7.0
69.07085	14.1
71.05016	10.7
71.54624	2.1
79.05499	38.9
81.03423	92.9
81.07062	57.2
83.04984	23.0
83.08167	2.2
83.08627	38.9
84.41852	2.0
85.02912	100.0
85.06521	5.4
87.04456	2.0
91.05484	52.6
93.06486	2.2
93.07059	37.0
95.04977	48.1
95.08611	21.8
97.02884	3.5
97.06522	7.2
97.10197	3.9
105.06312	2.2
105.07042	42.3
107.04980	9.2
107.08624	14.8
109.06510	7.2
109.10133	4.9
111.04439	3.7
111.08083	22.3
113.06004	9.5
115.05463	4.0
117.07050	2.3
119.07827	2.7
119.08594	39.4
121.06449	2.6
121.10144	19.0
123.08036	6.8
123.11688	5.8
125.03163	1.7
125.09536	2.4
129.07013	15.7
131.08577	19.7
133.06494	4.6
133.10136	20.1
137.02315	3.0
137.09628	5.0
142.07796	4.8
145.10135	2.8
147.04434	2.2
147.08078	4.4
147.11699	33.7
149.09665	9.8
151.11115	2.6
157.10132	23.5
161.06003	3.1
163.03886	5.8
163.11032	1.9
164.04230	9.1
165.01878	15.2
165.04457	6.4
165.12737	9.1
167.03471	2.1
175.11177	32.0
183.02876	11.9
193.12247	94.5
206.99170	1.8
211.13303	72.0
217.34976	2.0
270.05093	3.6
282.87454	1.9
284.32919	2.0
285.07532	19.0
285.10239	4.0
285.16949	64.3
285.21732	2.7
285.33267	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
53.27988	3.1
55.01872	20.5
55.05505	26.3
56.96557	5.0
57.03439	53.4
57.07086	6.0
63.00070	4.7
65.03933	4.2
67.05508	49.8
68.99792	9.2
69.03432	7.4
69.07080	17.7
69.07401	3.5
69.49923	24.1
71.04987	11.2
79.05496	42.7
81.03427	100.0
81.07062	63.4
83.01340	9.3
83.05006	21.6
83.08627	38.5
85.02909	95.5
85.06559	3.4
91.05486	57.9
93.07053	28.4
95.04970	43.1
95.08620	20.4
97.02904	7.2
97.06519	7.6
97.10133	4.0
98.20760	7.1
105.07039	45.7
107.04958	9.1
107.08587	15.8
109.06509	7.5
109.10165	9.5
111.04445	4.9
111.08108	19.4
112.83974	3.6
113.06002	7.0
115.05457	3.7
117.07046	6.1
119.04953	6.1
119.08586	35.7
121.02879	3.7
121.06539	8.2
121.10130	20.9
123.00795	4.5
123.08100	5.5
123.11726	10.4
128.06239	3.4
129.07010	21.6
131.08568	17.7
133.06491	11.5
133.10146	13.6
135.04410	11.7
135.08043	27.6
141.06990	4.2
143.08638	5.6
145.06483	4.3
145.10100	6.0
147.04440	6.7
147.08051	12.8
147.11676	37.9
149.09627	9.8
153.01834	12.5
155.08607	3.9
156.09265	4.8
157.06458	4.4
157.10138	26.5
159.08055	4.1
159.11646	5.4
161.05954	6.0
163.39095	3.1
165.01846	17.8
165.07050	5.0
165.12794	10.5
168.33231	3.1
169.01315	30.4
171.11751	5.4
173.03642	5.1
173.06052	3.8
175.07581	6.8
175.11192	21.2
183.02914	16.7
183.08125	3.2
189.12726	5.4
193.12253	98.2
195.08466	3.4
203.03375	3.4
211.13303	73.1
215.07129	4.3
217.12299	5.2
221.04276	5.1
221.06209	5.3
229.08434	3.7
229.14272	4.3
233.08342	4.8
239.07524	11.4
241.08194	4.0
242.05716	4.4
243.06554	10.3
267.06525	26.1
270.05252	6.4
284.33072	4.1
285.07611	45.6
285.11218	44.3
285.16876	55.4
285.21909	4.3
285.33432	5.2
303.12177	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
55.01881	14.3
55.05264	2.7
55.05516	28.5
56.96558	4.6
57.03440	47.8
57.07077	5.4
58.67582	2.4
59.05022	2.9
60.08089	2.4
63.00029	2.3
67.05514	37.1
68.99777	3.7
69.03437	6.1
69.07079	19.8
71.05003	14.8
79.05496	43.0
81.03426	91.3
81.07059	52.4
81.85912	2.5
83.01341	4.3
83.04988	19.0
83.08614	36.0
85.02910	93.4
85.06514	6.2
87.74654	2.3
91.05486	56.4
93.07044	27.0
95.04977	40.8
95.08617	24.1
97.02880	5.4
97.06525	9.5
97.10169	3.9
98.98491	2.5
103.05430	3.4
105.07037	38.3
107.04965	12.8
107.08595	11.9
109.06531	10.0
109.10167	7.3
111.08094	21.1
113.06026	8.3
117.06973	3.5
119.04968	5.7
119.08609	34.2
121.02854	5.9
121.06549	2.9
121.10157	14.8
123.04480	3.9
123.08100	2.7
123.11725	10.1
127.07526	3.1
128.06250	3.2
129.07025	16.3
131.08571	17.1
133.06534	12.0
133.10132	16.1
135.04451	9.0
135.08078	9.9
137.02359	5.0
137.09598	5.5
142.07790	5.1
145.06522	2.8
145.10129	5.1
147.04390	6.6
147.08109	7.9
147.11708	41.1
149.09601	8.5
151.11176	3.2
153.01849	6.7
154.31322	2.5
156.09468	3.1
157.10130	26.0
161.09641	2.8
165.01855	19.4
165.12793	7.7
169.01384	14.7
171.11717	3.5
175.11189	26.5
183.02913	7.3
183.07961	5.2
185.02986	3.1
193.12251	100.0
199.07527	3.4
211.13293	69.8
215.07014	4.4
217.12259	2.6
225.05386	3.0
239.07603	6.4
243.06548	7.5
244.20610	3.5
247.06067	7.7
262.09064	2.8
267.06458	15.0
270.05310	4.1
285.07581	34.6
285.11194	15.7
285.16937	52.0
285.21747	3.7
285.29794	5.1
285.33234	2.5
290.47696	2.5
303.12155	7.0
304.13358	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	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00152	2.3
55.01888	3.1
55.05516	19.0
56.96564	9.5
57.03439	21.5
57.07076	2.8
63.00044	3.6
65.03943	2.1
66.25031	1.6
66.78741	1.7
67.05508	37.6
68.05849	2.0
69.03429	3.3
69.07072	19.7
69.36952	15.7
71.05013	7.3
74.04935	1.9
78.74269	2.1
79.05492	26.3
80.13688	2.6
81.03423	12.2
81.07063	100.0
81.12373	1.9
83.04999	9.1
83.08630	13.7
85.02917	10.0
85.06561	7.2
91.05482	30.4
91.06010	2.4
93.07068	16.9
95.04993	5.6
95.08609	21.4
95.09077	2.0
97.02921	2.7
97.06567	7.0
97.10198	2.2
98.97578	9.5
98.98539	2.5
99.08125	4.4
105.07033	39.4
105.07664	2.8
107.08615	16.4
109.06557	6.5
109.10223	2.5
111.08119	3.8
112.45049	1.8
113.06033	2.1
116.98657	3.3
119.08574	32.5
121.10140	18.7
123.08102	4.6
123.11713	32.4
129.07037	3.4
131.00180	3.3
131.08607	3.2
133.06555	2.4
133.10190	6.3
137.13287	3.6
141.09047	2.4
145.10156	2.3
147.11700	61.8
149.01276	2.7
149.09584	2.8
151.03928	3.3
157.10176	7.0
161.05995	3.2
165.01874	4.0
165.12759	39.4
175.11259	5.6
177.00708	2.5
183.13812	2.6
193.12315	10.3
211.13324	5.7
229.14308	4.6
232.27663	1.9
240.23164	2.4
242.05870	6.8
257.04434	2.3
270.05365	4.8
284.63074	5.0
285.07635	36.8
285.10873	3.2
285.16949	40.3
285.29315	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	285.076
Annotation	7,2'-dihydroxy-4',5'-methylenedioxyisoflav-3-ene
Peak:m/z	Relative Intensity
51.86171	0.4
52.48574	0.4
53.00306	1.4
53.03937	1.5
55.01878	2.8
55.05513	2.2
56.14762	0.4
56.96560	0.6
57.03431	1.3
65.03939	3.2
67.05511	8.3
68.99796	2.7
69.07063	1.6
70.20461	1.2
70.20854	0.9
71.04996	0.6
74.70674	0.4
76.02192	0.4
78.14674	0.4
79.05488	2.5
81.03404	1.8
81.07070	6.2
83.04991	0.8
83.08651	1.2
85.02882	0.8
85.06542	0.5
88.52254	0.4
89.03919	0.5
91.05483	5.1
93.03405	4.4
93.07040	1.8
95.04981	6.9
95.08612	1.9
97.06514	0.7
98.20802	0.5
98.97572	1.1
105.04546	0.5
105.07031	3.7
107.04947	2.2
107.08597	1.6
109.02917	0.5
109.06513	0.5
109.10168	0.5
111.04450	1.0
114.05514	0.4
115.05536	0.6
119.04937	2.1
119.08592	2.2
120.05704	0.4
121.02885	4.7
121.06493	0.9
121.10156	1.9
123.04436	83.1
123.11721	1.6
124.04723	0.5
128.06148	0.6
129.07027	0.5
131.04895	0.5
131.08568	0.9
132.08873	0.5
133.02855	0.7
133.10155	0.8
135.04425	1.3
135.11745	0.5
137.02350	16.7
137.06033	0.6
141.06941	0.6
147.04417	9.9
147.11699	4.8
148.05273	2.2
149.01268	0.8
149.02391	1.0
149.05968	1.9
151.03911	100.0
152.04272	0.5
153.07004	0.8
157.06526	0.6
157.10170	1.1
159.08051	0.5
163.03912	4.2
165.01845	2.0
165.07011	1.0
165.12816	2.2
169.06535	0.6
171.08130	0.8
175.03905	15.7
175.11118	0.5
176.04480	0.6
181.06508	1.0
183.07988	0.6
183.13783	0.4
185.06003	1.1
187.07590	0.6
187.70923	0.4
189.16255	0.6
193.12329	0.6
197.06058	0.7
199.07542	0.6
203.60321	0.5
211.07628	1.5
211.13515	0.6
213.05554	0.5
215.07185	0.5
226.06255	0.4
227.07007	1.8
229.08673	0.7
229.14256	0.6
237.05482	0.8
239.07043	3.4
249.18620	0.6
255.06544	4.2
257.08160	1.4
267.06549	1.5
284.62958	2.0
285.07599	15.0
285.16968	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	285.0761
Annotation	Biochanin A
Peak:m/z	Relative Intensity
51.99601	0.4
54.30665	0.5
55.05507	1.7
56.96563	0.6
57.03428	2.0
59.23470	0.4
59.87962	0.4
67.05499	1.9
68.99793	0.5
69.07059	2.3
70.79982	1.2
71.04993	0.9
79.05500	1.9
81.07061	7.7
83.04969	0.7
83.08649	0.8
85.06551	0.9
89.03916	0.5
91.05495	2.4
93.07050	1.1
94.10419	0.4
94.81093	0.4
95.04968	0.7
95.08608	2.1
97.06546	0.7
98.97633	0.5
105.07039	3.9
107.04922	0.4
107.08600	1.5
109.06525	0.7
109.91016	0.4
119.08591	3.9
121.10150	1.6
123.11711	1.7
129.06985	0.8
133.10168	0.9
134.03635	6.7
137.02345	12.5
137.03424	0.6
141.06989	1.6
147.11699	6.5
151.45703	0.5
157.06461	0.5
158.07294	0.6
165.01845	5.3
165.12746	3.2
168.05742	0.4
169.06485	1.4
175.11206	1.1
181.01314	1.2
183.02905	0.7
183.04393	1.1
185.06075	0.8
186.06796	2.2
193.12262	1.0
193.91493	0.5
197.06004	5.2
203.03409	2.0
203.73557	0.6
213.05461	8.0
214.06235	6.2
225.05475	14.1
229.05013	1.1
229.08653	1.8
229.14381	2.1
238.06384	0.5
241.04933	0.7
241.11166	0.7
242.05746	1.9
253.04987	19.3
257.04453	7.0
257.07294	0.6
257.08282	0.5
269.04477	4.8
270.05243	26.9
271.05618	0.5
275.77875	0.5
285.07596	100.0
285.16608	3.5
286.07986	1.6
300.48657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0761
Annotation	1-O-Methylemodin
Peak:m/z	Relative Intensity
51.02390	0.5
53.03961	2.5
53.68145	0.4
55.01878	3.9
55.05498	1.1
56.96571	0.9
57.07066	0.7
60.04539	0.5
63.45456	0.4
65.03942	3.0
67.05518	3.3
68.99789	2.4
69.03429	0.9
69.06723	0.4
69.07072	2.2
69.56078	1.9
71.01354	0.7
76.65498	0.4
78.90269	0.4
79.05502	4.6
81.03422	5.5
81.07060	3.1
86.83999	0.4
88.07648	0.6
88.82741	0.4
91.05495	11.5
93.03419	7.1
93.07059	5.0
95.04986	4.5
95.08626	1.1
98.97613	0.6
103.05487	1.9
105.04539	1.2
105.07022	1.5
107.04969	7.2
108.05771	0.8
109.02884	0.6
109.06588	0.5
111.04458	0.9
113.28142	0.4
115.05518	0.7
119.04955	5.5
119.08587	0.6
120.05720	2.5
121.02869	5.1
121.06525	7.6
121.10185	0.4
123.04434	10.5
123.11707	0.5
128.06230	0.6
129.05536	0.6
129.07027	1.4
131.04932	0.9
131.08556	0.5
134.03712	0.5
135.04431	4.2
135.08057	0.7
137.02353	100.0
138.02618	0.5
141.07021	2.8
143.08635	0.5
144.05791	0.8
145.06505	1.5
145.10101	0.5
147.04431	14.7
147.11726	1.0
149.02361	7.4
149.05995	14.9
150.03104	1.2
151.04005	0.5
153.01881	0.5
153.07027	3.0
154.07823	0.5
155.08554	1.9
157.06572	0.5
159.08086	1.4
161.06026	1.1
162.20082	0.4
163.03932	1.2
165.01836	3.3
165.07025	7.3
166.07669	0.4
167.03409	3.0
168.05757	1.4
169.01344	1.2
169.06523	1.2
171.08138	0.6
173.06032	1.1
175.03978	2.0
177.01927	0.4
178.02776	0.6
179.03371	3.5
181.06512	1.1
183.02927	1.7
183.08064	5.1
185.06023	1.4
187.07573	1.4
189.05449	1.3
197.05939	2.7
198.06790	1.8
199.07608	1.5
201.05432	0.6
201.09119	1.8
210.06783	1.0
211.07565	12.5
211.09491	0.9
213.05453	2.6
214.06242	3.1
215.07100	1.6
221.06050	0.8
224.04575	0.6
224.07806	1.5
225.05634	0.8
226.06248	1.9
227.07050	2.5
228.07767	0.4
229.08640	6.0
237.05585	0.6
239.07051	21.7
240.07571	0.5
242.05777	1.3
243.06610	0.7
256.07315	2.5
257.08109	5.4
267.06592	3.0
284.29535	1.9
285.07602	33.1
285.10999	1.2
285.29907	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0761
Annotation	Biochanin A
Peak:m/z	Relative Intensity
53.03937	0.4
55.01865	0.6
55.05502	0.8
56.96548	0.7
57.03423	1.0
57.07054	0.3
65.03931	0.5
67.05505	1.8
68.99784	1.0
69.03429	0.3
69.07050	0.8
69.65485	1.5
71.04963	0.4
72.12974	0.2
76.04001	0.3
79.05515	1.1
81.03409	0.9
81.07064	3.1
83.04945	0.4
83.08595	0.7
85.02892	0.6
91.05505	1.5
93.07044	1.3
95.04981	2.3
95.08591	0.9
97.06493	0.5
98.21504	0.3
98.97601	0.4
105.03396	1.3
105.07015	1.2
107.04972	1.6
107.08570	0.7
108.02105	0.3
108.66457	0.2
109.06480	0.5
109.10147	0.3
115.05455	0.2
119.04941	0.3
119.08614	1.2
121.02937	0.3
121.06480	0.4
121.10143	1.0
123.04424	1.3
123.08078	0.3
123.11694	0.7
123.32069	0.2
124.05253	0.2
128.06224	0.3
129.07008	0.9
129.76089	0.2
131.04948	0.3
131.08575	0.3
133.06500	0.4
134.03580	0.5
135.04453	0.5
137.02347	0.7
137.05991	0.2
141.06950	0.4
144.05733	3.4
145.06505	0.8
145.10092	0.3
147.04413	0.4
147.11696	1.8
149.02324	0.6
151.03917	15.4
151.49466	0.2
155.04901	0.4
155.06078	0.3
157.10168	0.3
158.07266	1.0
159.08049	3.6
161.02345	2.9
161.05981	0.6
163.03967	0.4
165.01846	0.7
165.06996	0.4
165.12735	1.5
168.05675	0.3
169.04988	0.3
169.06432	0.4
170.88129	0.2
172.05222	2.2
173.09650	0.6
183.02882	0.3
183.08047	0.3
186.06772	0.9
187.07571	9.4
192.30440	0.2
193.12254	0.9
196.05237	0.4
197.05940	0.8
198.06741	0.4
199.07559	0.2
200.04715	3.4
201.05650	0.3
201.09103	1.6
203.03429	0.8
203.06992	0.6
211.07547	0.6
211.13286	0.3
213.05475	0.3
214.06268	2.7
215.07045	32.8
216.07397	0.4
217.08629	0.3
224.04730	2.1
225.05501	0.3
225.09122	0.4
229.05014	1.0
229.08617	9.2
239.07082	0.7
240.09956	0.2
242.05769	0.9
243.06564	3.1
252.04248	0.4
253.04959	0.3
253.08597	0.9
257.04514	2.6
257.08075	2.6
258.05173	0.5
263.87619	0.2
267.06479	1.7
267.15887	0.3
270.05249	0.4
284.29138	0.3
285.07602	100.0
286.04749	0.6
286.07996	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0761
Annotation	Biochanin A
Peak:m/z	Relative Intensity
53.48216	0.2
55.01861	0.5
55.05500	0.7
57.03426	0.8
57.07057	0.3
57.96025	0.2
67.05512	1.5
69.03435	0.3
69.07055	0.8
69.30657	1.4
69.31071	0.4
76.15292	0.2
79.05517	1.3
81.03408	0.5
81.07064	2.8
81.43839	0.3
82.59596	0.2
83.04996	0.4
83.08641	0.4
85.02879	0.7
85.06544	0.3
89.03931	0.6
91.05479	1.2
93.07045	0.8
95.04971	0.5
95.08614	1.1
97.06550	0.6
105.03384	0.2
105.07030	1.6
107.08596	0.5
108.02131	0.3
109.29790	0.2
115.95183	0.2
117.03375	0.3
118.04159	0.3
119.08600	1.3
121.02857	0.3
121.06493	0.3
121.10143	1.0
122.98416	0.3
123.04435	0.5
123.08063	0.4
123.11716	0.7
129.07037	0.3
131.08548	0.5
133.10138	0.5
134.03636	6.3
136.01605	0.3
137.02344	11.0
137.36369	0.2
141.06982	1.9
145.10173	0.5
147.11705	2.0
149.09679	0.2
151.03903	0.4
153.06877	0.3
155.04912	0.5
157.06497	0.3
157.10103	0.6
158.07251	0.4
159.11696	0.5
161.05974	0.7
165.07002	0.6
165.12808	0.8
168.05725	0.7
168.91994	0.2
169.06480	2.0
171.01396	0.3
175.11215	0.4
183.04433	0.9
185.06010	0.7
186.06757	2.1
193.12280	0.6
196.05215	0.9
197.04135	0.3
197.05980	6.0
197.13290	0.3
205.25691	0.2
210.06816	0.5
213.05478	9.5
214.06259	5.5
221.05980	0.5
225.05475	12.5
225.09106	0.9
226.06036	0.4
228.04160	0.4
229.05077	0.3
229.08629	2.5
239.07086	0.4
241.04977	0.4
242.05750	4.3
252.04332	0.3
253.04968	17.5
253.08545	1.1
254.05383	0.3
254.09286	0.2
257.08185	0.4
267.20978	0.3
269.04446	4.6
270.05240	28.2
271.05740	0.3
285.07587	100.0
285.22101	0.7
286.07840	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0759
Annotation	Acacetin
Peak:m/z	Relative Intensity
53.03945	0.4
55.01868	0.2
55.05513	1.3
55.95468	0.2
56.96573	0.2
57.03437	1.2
57.07068	0.3
65.03931	0.5
67.05231	0.2
67.05516	2.4
67.05843	0.4
67.14603	0.2
68.99812	0.2
69.03405	0.2
69.07077	1.3
70.79512	0.6
71.04996	0.4
72.11007	0.2
79.05492	1.5
81.03410	0.5
81.07064	5.5
83.04969	0.6
83.08609	0.7
85.02109	0.2
85.06544	0.3
86.00887	0.2
91.05488	2.2
93.07034	1.0
95.04972	0.4
95.08607	1.8
97.06530	0.6
98.97561	0.5
98.98466	0.3
99.08070	0.3
105.03397	0.4
105.07046	2.5
107.08614	1.2
109.06509	0.4
109.10178	0.4
115.05455	0.5
117.07028	0.4
119.08581	2.3
121.02841	0.8
121.10139	1.2
123.08080	0.2
123.11727	1.4
127.05431	0.2
128.06223	0.3
129.07019	0.5
130.61557	0.2
131.01343	0.3
131.08568	0.5
133.10126	0.4
137.02335	1.6
139.05441	1.6
143.08580	0.2
145.06509	0.7
145.10132	0.3
147.04416	0.3
147.11691	3.8
149.02315	0.4
149.05936	0.3
151.03912	3.3
155.04935	0.8
157.06445	1.1
157.10120	0.4
159.04550	0.2
159.08020	0.3
159.11588	0.2
161.05954	0.4
161.22369	0.2
163.54033	0.2
165.01849	0.5
165.07001	0.5
165.12784	1.9
167.03575	0.3
167.04951	0.6
168.08118	0.5
173.06001	5.5
175.11284	0.3
183.04488	0.4
183.13882	0.3
185.06026	0.7
187.03900	0.7
193.06422	0.3
193.12292	0.3
195.04419	1.8
197.06087	0.4
201.05482	0.7
210.06799	0.3
211.03943	1.4
212.14325	0.4
213.05496	3.4
214.06058	0.2
221.05994	0.5
223.03940	0.6
225.09119	0.6
225.16573	0.2
229.04990	8.1
229.14360	0.3
230.05362	0.3
239.03401	7.7
239.07063	0.4
239.56700	0.2
241.02812	0.3
241.04877	1.4
242.05756	43.0
243.06171	0.6
253.04922	0.4
253.08577	1.0
257.04480	8.6
267.02875	9.0
267.16080	0.4
268.03458	0.3
270.05249	57.1
271.05594	0.6
285.04013	40.0
285.07605	100.0
285.16330	2.3
285.22189	1.0
286.04337	0.7
286.07925	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
51.47571	0.2
53.03942	0.5
55.01875	5.2
57.03424	0.4
57.07067	0.2
59.05008	1.0
60.08162	0.2
61.16106	0.2
63.17155	0.2
65.03940	0.5
67.01857	0.3
67.05487	0.5
68.99437	0.3
68.99792	3.7
69.00148	0.1
69.03444	1.3
69.07064	0.3
79.01864	2.4
79.05484	0.5
81.02989	0.2
81.03428	3.8
81.07049	0.6
85.02896	0.2
91.05473	0.5
92.99780	2.2
93.07053	0.4
95.01337	0.2
95.04963	0.3
95.08585	0.3
97.02900	1.7
98.21503	0.5
98.83509	0.2
99.00822	2.5
105.07030	0.5
107.04966	2.8
109.02869	0.8
109.06512	0.2
111.00860	0.2
119.08582	0.3
121.02884	0.6
121.06508	4.2
121.10100	0.2
121.34212	0.2
123.00819	1.0
133.06567	0.2
135.04388	0.2
137.02354	4.2
141.01842	8.4
147.00815	0.3
147.04391	0.3
147.11710	0.4
150.16307	0.2
151.03885	0.4
153.01865	0.2
154.02182	0.2
155.03436	0.5
157.10185	0.2
163.03899	0.5
165.01845	100.0
166.02206	0.8
175.11128	0.2
179.03404	1.3
182.04515	0.2
183.02901	66.5
184.03210	0.6
191.03409	4.0
192.36238	0.2
193.12311	0.4
197.04398	0.5
197.05994	0.3
203.84846	0.2
206.04485	0.5
243.06560	0.9
243.08806	0.2
253.04987	0.2
267.06567	0.3
280.11090	0.2
284.30261	0.3
284.33035	1.2
285.07590	17.4
285.10388	0.9
285.22092	0.3
285.33542	0.4
286.07953	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0759
Annotation	Acacetin
Peak:m/z	Relative Intensity
53.35971	0.5
55.01875	12.8
55.05516	0.6
57.01977	0.4
60.08175	0.4
67.01852	1.4
67.05500	1.0
68.99439	0.7
68.99794	10.9
69.03426	1.0
69.07106	0.8
70.14118	2.0
71.01359	3.2
79.01839	0.6
79.05488	1.6
79.40883	0.4
81.03448	1.0
81.07059	1.4
91.05475	1.9
92.99804	0.5
95.04947	0.7
96.42400	0.5
97.02891	1.4
98.98428	0.5
103.05450	2.3
105.07044	2.9
105.57535	0.5
107.04951	1.2
111.00846	2.3
112.67676	0.4
114.03625	0.4
115.05457	1.6
117.07030	2.0
119.04973	0.6
119.08588	1.1
120.05743	0.7
121.06563	0.8
121.10211	0.7
123.04424	0.5
125.02354	2.9
128.06236	1.2
129.07002	1.0
131.04967	1.9
131.08598	1.2
133.06494	9.7
137.02357	1.8
139.03917	0.9
141.06987	4.5
143.08594	1.1
144.05762	0.6
145.06494	8.3
147.04482	0.7
147.08040	3.6
147.11697	1.1
150.03171	1.0
151.07639	0.5
152.06151	0.6
153.01839	88.9
153.06998	1.4
154.02104	0.7
155.06091	1.1
155.08585	0.8
157.06525	1.3
159.04443	1.8
159.08064	1.9
161.05978	2.8
163.03923	0.5
165.01848	22.4
165.07014	12.6
166.02640	0.7
168.19179	0.4
169.06485	11.5
169.07808	1.0
171.07999	3.7
173.05998	21.4
175.07578	2.0
177.07079	0.5
179.03387	0.4
181.06487	6.3
183.01321	1.0
183.02888	9.4
183.08049	1.5
184.05257	0.4
185.05916	1.1
187.07567	5.0
188.69946	0.4
193.06497	5.8
197.05997	21.5
198.06725	1.9
199.03896	0.7
199.07558	12.8
201.05463	3.4
205.06490	1.2
211.07533	2.8
213.05475	1.5
214.06302	0.6
215.07043	13.7
215.09120	0.7
217.08656	0.7
221.05989	24.0
222.06673	1.0
223.03943	1.6
223.07524	0.9
225.05516	6.4
229.08525	1.2
239.07004	6.9
241.04950	1.9
241.08586	0.5
242.05872	0.4
243.06509	5.0
249.05489	6.0
250.06355	1.0
257.08136	0.9
265.05069	1.3
266.05762	0.7
267.06534	100.0
268.06854	1.6
284.33044	2.4
285.07605	23.4
285.33450	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.076
Annotation	Acacetin
Peak:m/z	Relative Intensity
53.03938	0.8
55.01875	13.6
55.05523	1.6
56.96590	0.4
57.03440	1.5
57.07076	0.5
59.04986	0.7
60.46169	0.3
65.03936	1.3
67.01871	1.7
67.05505	2.5
68.99792	12.3
69.00175	0.6
69.03427	1.5
69.07066	1.5
69.85292	1.2
69.85709	0.5
71.01350	3.0
79.01859	0.7
79.05500	3.4
81.03418	3.4
81.07063	4.8
83.04982	0.7
83.08620	1.4
85.02899	1.6
85.06575	0.3
85.30414	0.3
91.05486	4.4
92.99779	0.8
93.03396	0.4
93.07043	1.5
95.04957	1.6
95.08606	2.0
97.02883	1.4
97.06533	0.6
97.10174	0.5
98.21392	0.6
99.00802	0.7
103.05483	4.9
105.04456	0.4
105.07036	5.4
107.04955	1.7
107.08601	0.7
109.02858	0.6
109.06496	0.6
109.10149	0.6
111.00814	3.1
115.05472	2.4
117.07021	2.7
119.04943	1.0
119.08584	2.5
120.05704	0.7
121.02871	1.0
121.06493	0.8
121.10134	1.3
123.00790	0.4
123.04475	0.5
123.11732	1.1
125.02345	2.3
128.06226	1.5
129.06998	1.4
131.01299	0.7
131.04929	3.8
131.08589	1.8
133.06497	14.6
135.04509	0.4
135.11652	0.4
137.02312	1.9
137.05951	0.5
139.03896	1.2
141.01826	0.5
141.07002	5.1
143.08578	1.0
144.05719	1.1
144.31400	0.3
145.06488	8.6
147.04419	1.0
147.08052	4.8
147.11710	2.9
149.02345	4.6
151.03923	0.9
151.07576	1.2
152.06253	0.4
153.01833	100.0
153.06949	1.7
154.02151	0.7
155.06059	1.2
155.08563	0.7
157.06496	1.2
157.10136	0.6
159.04419	2.4
159.08061	2.6
161.06001	2.5
161.13390	0.4
163.03920	1.2
165.01843	24.4
165.07010	13.3
165.12737	1.4
166.02556	1.2
167.03410	7.5
167.04770	0.3
168.05725	0.6
169.06487	12.5
171.02919	1.1
171.04294	0.3
171.08060	4.0
173.05986	21.8
175.03979	0.4
175.07544	2.0
175.11275	0.3
179.03400	0.6
181.01305	0.4
181.06494	5.6
183.02892	15.3
183.08080	1.3
184.05241	1.1
185.05995	0.9
187.07549	4.9
189.05533	0.6
189.09167	0.4
191.03481	0.5
192.05603	0.3
193.06490	6.9
193.12280	1.4
195.04367	0.4
195.08104	0.6
197.05988	21.1
198.06668	1.7
199.03864	0.9
199.07545	15.7
200.04716	0.5
201.03709	0.6
201.05455	5.7
205.06529	0.9
211.04085	0.4
211.07574	3.8
211.13260	1.1
213.05424	1.7
214.06281	0.8
215.07036	12.8
217.04994	0.4
217.08621	0.9
217.19458	0.3
221.05974	20.5
222.06659	0.5
223.03972	1.5
223.07584	0.9
225.05478	8.2
226.06163	0.8
229.04950	0.6
229.08621	1.0
237.05373	0.6
239.07019	6.1
241.05066	1.6
241.08464	0.7
242.05705	0.8
243.06587	6.4
249.05469	6.6
250.06184	0.8
257.04379	0.4
257.08127	1.8
261.07462	0.5
265.04962	1.3
266.05649	0.5
267.06528	97.7
268.06793	1.7
270.05188	0.6
284.29437	0.7
285.07590	27.4
285.10870	1.1
285.16855	1.7
285.29797	0.4
286.07983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0761
Annotation	Biochanin A
Peak:m/z	Relative Intensity
51.04625	0.2
51.07878	0.2
52.01831	0.2
53.03931	0.2
55.01875	0.2
55.05507	0.6
56.96566	0.5
57.03428	0.5
65.03934	0.3
65.93539	0.2
67.01851	0.2
67.05503	1.0
68.99798	0.4
69.03429	0.5
69.07053	0.8
71.05009	0.3
78.02579	0.2
79.05486	1.1
81.03434	1.2
81.07063	1.8
82.00677	0.2
83.04986	0.4
83.08624	0.6
85.02914	0.7
89.03897	0.2
90.04704	0.2
91.05489	2.9
93.07070	1.0
95.04961	1.1
95.08620	0.8
97.06528	0.3
98.21521	0.5
98.97574	0.8
99.04469	0.2
105.07040	1.3
107.04955	1.0
107.08588	0.5
109.06488	0.3
109.10228	0.2
111.04391	0.3
111.08096	0.4
116.98598	0.3
117.07071	0.2
118.04179	0.9
119.04953	1.2
119.08601	0.8
121.00457	0.2
121.02885	0.4
121.10141	0.6
123.04434	1.7
123.11684	0.3
124.01572	0.9
129.07016	0.4
131.00157	0.2
131.04944	0.6
131.08604	0.2
133.06506	0.8
133.10130	0.5
134.28951	0.2
135.04416	0.9
137.02286	0.4
141.06998	0.7
145.02861	1.6
147.04440	0.5
147.11681	0.8
149.01305	0.2
149.02394	1.1
149.09637	0.2
151.03883	0.7
152.01028	1.4
153.01866	1.4
153.06960	0.5
157.10153	0.4
158.03644	0.8
158.07256	0.5
159.04475	1.1
161.64180	0.2
163.03906	2.2
165.01836	0.9
165.12794	0.2
167.03418	6.5
167.99355	0.2
168.05705	0.8
169.06483	0.9
170.02124	1.7
170.07144	0.3
173.06033	0.3
175.11162	0.3
179.03363	0.6
181.01294	0.4
183.02829	0.3
183.08081	0.8
185.06001	0.4
186.06778	0.8
187.07549	0.3
193.12257	1.0
196.05226	0.5
197.06038	1.3
198.06822	0.4
201.09088	0.5
211.07584	0.8
211.13246	0.6
213.05507	2.0
214.06241	1.7
215.06973	0.4
224.04721	1.2
225.05551	1.0
229.08629	7.6
239.06638	0.2
241.05017	0.6
242.05745	7.5
243.06415	0.3
252.04256	0.6
253.04973	1.9
253.08763	0.3
257.08109	3.3
267.06537	1.6
269.04388	1.9
270.05234	4.1
285.07593	100.0
286.08014	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.1
51.02395	0.2
53.00304	0.1
53.03944	0.4
54.58213	0.1
55.01876	5.2
55.05521	0.1
56.96573	0.1
57.03426	0.1
57.07075	0.2
59.05006	1.1
62.45008	0.1
63.00050	0.1
64.26644	0.1
65.03951	0.5
67.01864	0.3
67.05500	0.1
68.99789	3.6
69.03430	1.1
69.07066	0.2
69.73844	0.2
69.74254	0.2
70.06585	0.4
71.08604	0.1
79.01859	2.5
79.05479	0.2
81.03424	4.0
81.07070	0.4
83.32148	0.1
88.07635	0.4
91.05480	0.2
92.99773	2.4
93.03420	0.1
93.07040	0.3
95.04942	0.2
95.08598	0.1
97.02278	0.1
97.02901	1.8
98.20747	0.1
99.00195	0.1
99.00826	2.7
102.09198	0.4
103.05399	0.1
103.09521	0.1
105.07024	0.2
107.04963	2.0
107.08617	0.1
109.02884	1.3
111.00813	0.3
113.02397	0.1
113.06043	0.1
113.10018	0.1
117.01861	0.2
119.08602	0.1
121.02904	0.4
121.06519	2.1
121.10133	0.1
123.00794	1.3
123.04472	0.1
124.79739	0.1
127.03976	0.1
133.06480	0.2
135.04428	0.2
137.02348	4.3
141.01839	8.4
147.00761	0.3
147.04405	0.2
147.11717	0.2
151.03990	0.1
155.03392	0.5
163.03938	0.3
165.01845	100.0
166.02151	0.7
169.06450	0.1
173.06094	0.1
178.38541	0.1
179.03391	1.2
182.04384	0.1
183.02901	64.1
184.03296	0.5
185.03290	0.1
191.03409	3.4
193.12332	0.1
197.04413	0.3
197.06055	0.2
201.05528	0.1
206.04477	0.3
211.13260	0.1
243.06549	0.9
266.54056	0.1
267.06552	0.1
270.05109	0.1
284.29520	1.8
285.07596	15.8
285.29852	1.2
286.07837	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.3
53.03926	0.3
55.01633	0.3
55.01876	4.0
57.07048	0.2
59.04997	0.6
62.07323	0.2
65.03940	0.5
68.99792	3.0
69.03438	1.3
69.41692	1.0
69.42108	0.6
79.01856	1.9
81.03427	3.3
81.07034	0.4
91.05463	0.3
92.99783	1.6
97.02907	1.3
99.00793	1.9
107.04960	2.0
109.02886	0.6
121.02832	0.5
121.06485	1.8
123.00794	1.8
137.02361	3.1
141.01837	5.3
147.00755	0.5
147.04446	0.3
155.03406	0.3
165.01846	100.0
166.02193	0.9
179.03355	1.2
183.02904	35.8
191.03418	3.2
243.06635	0.6
285.07602	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	285.0757
Annotation	2-Carbomethoxy-6-methoxyxanthone
Peak:m/z	Relative Intensity
51.41913	0.1
52.44277	0.1
55.01862	0.3
55.05484	0.2
56.96557	0.2
61.42554	0.1
63.89666	0.1
67.05512	0.2
68.99781	0.4
69.03426	0.2
70.62862	0.1
70.67051	0.5
71.04996	0.3
76.47635	0.1
77.51888	0.1
79.01854	0.1
79.05493	0.2
79.97579	0.2
81.03406	0.6
81.07039	0.3
83.97339	0.1
85.02857	0.3
89.03920	0.6
91.05463	0.2
93.07024	0.4
95.04956	0.2
98.97557	0.3
103.05449	0.1
105.03399	0.3
105.07018	0.2
107.04940	0.3
108.02084	0.5
109.08411	0.2
115.05447	0.5
119.08549	0.2
121.02848	0.2
121.06487	0.3
123.04357	0.2
128.06201	0.1
129.07043	0.2
134.03644	8.1
136.01462	0.2
137.02345	14.4
141.06992	1.7
147.11739	0.2
149.06010	0.2
152.06140	0.2
154.02591	0.5
155.04880	0.5
157.06454	0.3
158.07263	0.5
165.01823	1.1
168.05733	0.7
169.06500	1.9
171.04388	0.2
175.03960	0.3
175.43001	0.2
181.06523	0.5
181.08502	0.1
183.02872	0.4
183.04431	0.7
185.06010	1.1
186.06746	2.3
187.03943	0.2
193.12422	0.2
196.05147	0.5
197.05994	5.7
198.06415	0.2
199.03952	0.2
200.04733	0.2
213.05481	10.3
214.06262	6.9
224.04659	0.3
225.05484	14.8
226.05910	0.3
227.03535	0.2
228.04309	0.2
229.05070	0.2
229.08595	2.0
240.15833	0.2
241.04944	0.4
241.16315	1.6
242.05768	1.7
253.04979	20.6
254.05339	0.4
257.08124	0.6
269.04462	6.4
270.05246	31.2
271.05634	0.3
285.07590	100.0
285.18427	1.1
286.07962	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0992
Annotation	Guanosine
Peak:m/z	Relative Intensity
56.96584	1.0
57.03436	0.6
61.02907	0.3
69.03419	0.4
70.06589	0.5
70.38310	0.4
73.02916	0.5
73.64951	0.2
84.08151	0.4
85.02913	0.7
97.02887	0.6
98.97592	1.3
102.91496	0.2
108.45876	0.2
109.05116	0.4
110.03530	3.0
114.28623	0.2
116.98654	0.4
119.01931	0.3
119.04932	0.2
128.04549	0.7
134.04634	0.3
134.99611	0.2
135.03027	6.6
135.04048	0.3
136.06157	1.4
141.43251	0.2
143.01913	0.4
150.07753	0.2
152.05682	100.0
153.04092	6.3
153.05315	0.5
163.82907	0.2
172.08266	0.2
196.54492	0.3
206.07076	0.4
208.06630	0.3
219.01862	0.5
224.08061	0.3
226.07640	0.2
237.00691	0.3
261.02988	1.3
267.04205	0.2
284.10037	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26742	2.8
53.03944	10.2
55.01864	8.5
57.03437	7.7
61.02922	8.3
68.99782	3.3
69.03429	37.0
69.07059	4.6
70.61496	8.9
70.61882	3.5
71.04950	4.8
73.02914	12.4
79.05493	2.9
81.03424	36.5
81.07060	3.7
85.02903	100.0
87.00835	44.1
91.03968	4.6
93.07082	2.8
97.02893	72.6
98.97599	3.4
99.04451	17.4
105.01875	57.2
108.04484	10.2
109.02887	32.9
126.05500	4.5
127.03921	98.7
129.01877	4.5
145.04962	84.6
147.03000	3.8
159.02895	28.0
184.16899	4.7
189.03918	3.1
207.33566	3.0
228.13104	4.6
231.04997	17.4
249.06146	9.0
249.51067	3.5
284.06638	4.8
284.10010	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	283.2056
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
50.87882	1.0
50.88150	1.0
53.03937	3.0
55.01866	1.8
55.05517	6.4
57.03438	2.3
57.07066	3.7
59.83749	1.0
62.88602	1.2
63.62786	1.1
65.03934	2.0
67.05512	13.8
69.03441	9.6
69.07079	9.1
71.04994	4.3
71.55240	1.6
79.05505	19.1
81.03425	1.9
81.07058	18.7
83.04963	3.8
83.08637	5.3
85.06535	1.2
89.03956	1.7
91.05482	14.8
93.07049	22.9
94.21165	0.9
95.05000	7.5
95.08613	15.6
97.06544	2.8
98.97662	1.2
103.05493	1.3
105.07038	30.8
107.04950	5.8
107.08602	18.4
108.21491	0.9
109.06516	5.1
109.10179	11.6
111.04411	1.2
111.08067	2.1
115.05420	1.7
117.07009	6.6
119.04973	2.2
119.08588	26.1
121.06548	6.6
121.10152	43.7
123.08057	3.6
123.11729	5.0
124.80094	1.0
128.06247	3.0
129.06992	6.1
130.07797	3.5
131.08577	19.4
133.06528	1.6
133.07536	1.4
133.10139	20.8
135.04393	1.6
135.08070	5.1
135.11670	6.4
137.09639	2.1
138.75536	1.0
139.11292	1.0
141.06944	1.0
142.07793	5.8
143.08577	14.4
144.09325	2.4
145.02859	3.0
145.10132	22.7
146.07253	1.6
147.04396	4.0
147.08043	2.7
147.11703	6.4
149.02353	2.7
149.09648	1.5
149.13237	3.0
153.06998	1.0
155.08533	2.7
156.09355	3.5
157.10126	16.7
158.10890	4.4
159.08057	3.6
159.11700	12.3
161.09637	14.2
161.13225	2.7
163.03912	100.0
163.11205	5.8
164.04204	1.5
165.06822	1.5
167.03423	3.6
167.08600	2.8
168.09398	1.4
169.10143	6.7
170.10904	3.6
171.08110	1.2
171.11710	10.4
173.09596	4.3
173.13274	39.7
175.11180	4.6
175.14816	6.0
179.08562	4.3
180.09305	2.8
181.04973	3.0
181.10127	4.6
181.12230	1.4
182.10880	1.7
183.11681	7.5
185.09605	3.1
185.13235	8.3
187.11182	2.8
187.14836	5.4
189.12717	2.2
191.14308	2.3
193.10123	2.8
194.10916	3.6
195.11713	6.4
196.12564	1.7
197.05980	1.2
197.13272	3.8
199.11234	2.3
199.14856	7.2
201.12703	2.3
201.16370	3.4
208.12500	2.9
209.11539	1.3
209.13312	11.4
209.28963	1.3
213.12700	2.7
213.16411	2.4
215.14381	1.1
223.14844	7.3
225.16360	4.9
227.07106	5.3
227.10672	1.5
227.12418	1.4
227.14471	6.4
237.16342	1.3
241.15970	2.7
244.44949	1.1
250.17218	1.2
255.21057	6.6
265.19528	19.9
268.07199	1.4
280.50443	1.1
283.06363	2.1
283.09732	23.9
283.13049	3.2
283.20566	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1907
Annotation	Nardosinanol D
Peak:m/z	Relative Intensity
53.03942	2.9
55.01878	76.9
55.05517	12.5
56.96581	11.6
57.03440	10.3
58.90878	1.5
59.05027	1.9
65.73212	1.5
67.05511	26.8
69.03430	5.0
69.07076	20.2
71.01364	2.5
71.04990	5.3
73.56094	1.4
79.05063	2.5
79.05496	30.8
81.03429	24.9
81.07062	26.9
83.04987	13.1
83.08615	9.5
83.30521	1.5
85.02901	1.9
91.05484	25.7
93.07049	39.2
95.04980	10.7
95.08616	17.0
97.02880	3.3
97.06541	100.0
97.10173	3.2
98.97591	3.2
105.07056	11.2
107.04971	10.6
107.08592	28.1
109.02837	1.5
109.06517	5.1
109.10180	10.9
111.04457	8.4
111.08085	5.0
113.05991	1.5
115.05452	2.0
115.07583	1.9
116.98628	3.3
117.07024	10.7
119.01816	1.9
119.08616	11.4
121.06488	4.8
121.10139	10.1
123.08102	3.6
123.11779	1.7
125.06033	1.9
125.09634	7.6
129.07033	3.3
131.00159	2.3
131.08601	12.5
133.06517	4.4
133.10107	10.7
135.08060	15.1
135.11681	12.0
137.09636	2.9
141.06964	1.8
143.08595	2.4
144.67976	1.7
145.10162	11.1
147.08115	2.8
147.11676	4.9
149.09596	6.3
151.11182	4.8
153.12747	5.1
155.08597	2.1
157.01683	1.7
157.10135	2.1
159.11703	3.0
161.13289	2.3
163.02713	2.2
163.03922	18.3
163.11191	12.4
165.12798	2.7
173.09622	2.8
177.09111	6.4
181.06577	2.1
181.12250	5.2
185.04927	2.0
187.08038	4.8
187.14844	4.8
191.10583	2.8
193.12273	6.0
201.16463	4.4
205.15913	6.3
209.11761	5.4
211.14830	2.0
223.16971	21.3
227.12822	6.7
229.15834	6.1
247.16891	14.7
249.07904	2.8
257.10703	1.5
265.17911	10.3
267.09070	14.4
267.11823	2.4
268.03711	1.9
268.07080	1.4
269.10431	1.9
283.06055	15.9
283.09525	12.0
283.15417	11.5
283.18750	2.7
285.10175	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	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
55.01873	5.2
55.05268	1.3
55.05515	16.8
56.96575	1.2
57.03442	12.9
57.07069	4.1
65.03925	2.2
67.05176	1.9
67.05511	28.7
69.03421	3.0
69.07073	13.8
71.04993	5.0
78.42847	1.0
79.05497	30.7
81.03420	4.8
81.07065	27.3
83.04999	9.2
83.08618	12.7
85.02895	1.8
85.06552	2.4
89.06042	2.3
91.05485	19.3
93.03405	1.8
93.07049	52.7
95.04976	10.6
95.08617	45.6
95.09119	0.7
95.09248	1.7
97.02882	4.4
97.06527	6.8
97.10158	2.4
98.97590	1.3
99.04469	4.9
103.05421	2.5
105.07040	17.7
107.04362	1.6
107.04976	11.7
107.08606	36.8
109.06517	3.3
109.10146	5.2
111.04443	4.2
111.08080	3.2
115.05459	1.2
117.07040	15.4
119.06024	1.1
119.08598	21.7
121.06509	9.0
121.10152	29.0
123.11684	1.2
125.05979	3.3
129.07005	3.8
130.07816	2.8
131.01302	1.1
131.08562	4.0
133.06453	1.2
133.10162	10.4
135.08061	3.7
135.11711	48.5
137.02299	1.8
139.07579	2.6
143.08566	4.0
143.46835	1.1
145.06476	1.6
145.10143	37.4
145.11295	2.1
147.11696	9.6
149.02368	6.0
149.09619	1.9
152.34877	1.1
153.12740	4.2
155.08517	2.2
156.09311	1.7
157.10146	4.2
159.11720	2.1
160.08841	1.4
163.03943	3.0
163.11191	75.3
166.24081	1.3
167.03438	14.9
169.10199	1.2
171.11609	1.5
173.09616	3.0
175.11211	3.9
181.12250	15.8
183.11763	3.0
185.13293	1.9
191.10809	1.5
194.10831	1.7
195.11742	2.4
197.13385	1.3
199.14851	1.8
208.12540	1.5
209.11668	3.0
209.13321	3.4
223.14801	1.3
227.12790	100.0
254.78909	1.1
265.19571	3.3
266.38504	1.1
283.06555	1.7
283.09933	8.3
283.15445	19.1
283.20587	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	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01878	5.7
55.05267	1.0
55.05516	15.0
57.03443	14.1
57.07066	1.8
59.07283	0.7
65.03934	1.9
67.05509	23.1
69.03426	2.2
69.07069	9.9
71.05002	4.0
73.02925	1.6
79.05497	35.6
81.03418	3.2
81.07062	26.0
83.04980	5.8
83.08617	8.3
85.06545	1.2
89.06044	1.8
91.05494	13.6
93.03382	1.6
93.07050	50.1
95.04974	10.4
95.08614	46.0
97.02894	6.5
97.06538	5.2
97.10166	1.3
99.04472	4.4
103.05455	1.4
105.07037	10.0
107.04963	12.0
107.08601	32.4
109.06503	2.9
109.10154	4.7
111.04425	4.1
111.08096	1.9
113.06007	1.7
113.09633	1.0
115.05462	0.9
117.07027	11.6
119.08598	14.0
121.06523	8.0
121.09336	1.1
121.10157	17.2
125.06022	1.6
128.06151	0.9
128.30057	0.9
129.07002	1.1
130.07773	2.6
131.04942	0.9
131.08563	2.8
133.08528	0.8
133.10121	2.7
135.08064	3.1
135.11700	57.4
139.07530	2.4
143.08585	0.8
145.06464	1.0
145.10136	33.5
149.02356	3.4
153.12791	1.9
155.08536	1.6
163.03874	2.8
163.11189	71.4
167.03413	3.4
173.09621	3.4
181.12248	17.0
191.10620	2.0
209.10057	0.8
209.11800	3.2
227.12791	100.0
255.15973	3.3
283.06116	0.8
283.09799	2.8
283.15427	26.7
283.20248	1.1
283.28043	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01866	4.6
55.05516	15.7
57.03440	12.1
57.07074	1.9
65.03919	2.0
67.05508	21.8
67.75209	1.0
69.07082	10.8
71.04976	4.6
71.54985	1.7
71.55384	1.2
73.02892	1.5
79.05495	31.2
81.03409	3.3
81.07065	24.4
81.98631	1.0
83.04983	5.8
83.08605	6.5
89.06029	2.8
91.05491	12.5
93.03410	1.2
93.07047	42.8
95.04956	7.2
95.08611	40.6
95.09057	0.6
97.02891	5.9
97.06560	5.4
97.07088	1.2
97.10146	1.1
99.04436	5.3
105.07022	10.4
107.04967	11.4
107.08601	30.7
109.06506	1.2
109.10143	4.2
111.04441	4.1
111.08093	3.0
113.05976	1.3
117.07026	10.3
119.08584	11.5
121.06496	6.6
121.10142	15.3
125.05995	3.7
130.07774	2.1
131.08553	2.3
131.85625	1.3
133.10123	3.2
135.08095	2.5
135.11697	53.5
139.07623	1.2
145.10127	27.1
149.02365	3.0
153.12798	1.5
163.03922	1.2
163.11191	68.9
167.03418	3.5
179.77901	1.0
181.12254	13.8
209.11745	1.3
227.12791	100.0
255.15852	1.5
283.06198	1.5
283.09576	3.6
283.12415	1.3
283.15430	24.4
283.24136	4.2
295.74017	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.01876	6.8
55.05517	10.1
56.96569	1.2
57.03446	10.3
57.07077	1.3
60.99027	0.9
63.04618	0.8
65.03951	1.4
67.05179	1.7
67.05513	18.5
69.03424	2.1
69.07072	6.3
71.04987	4.3
73.02917	1.1
79.05500	23.2
81.03413	3.6
81.07065	20.2
82.69276	0.9
83.04977	4.1
83.08623	6.9
85.02885	1.4
85.06564	1.0
91.05486	12.3
93.07053	36.0
95.04972	9.3
95.08616	28.0
97.02898	4.3
97.06532	4.2
98.97598	1.3
99.04449	2.9
103.05488	4.6
105.07051	10.4
107.04962	10.0
107.08602	22.4
109.06534	1.7
109.10138	3.7
111.04432	4.0
111.08071	2.0
115.05458	1.4
117.07048	8.9
119.08595	11.2
121.06522	7.3
121.10145	12.3
123.11692	1.9
125.05992	3.4
125.09634	1.2
126.57590	0.9
129.07008	1.4
130.07843	2.3
131.04913	4.2
131.08571	3.2
133.06496	2.8
133.10138	5.7
135.08057	1.5
135.11702	41.2
137.05969	2.7
139.07578	1.3
145.10136	25.4
147.08105	1.3
151.03929	11.5
152.06215	3.3
153.12752	1.6
155.08556	1.7
157.06473	1.9
159.04420	3.3
163.03964	4.6
163.11203	55.0
165.07001	3.9
166.07802	2.2
167.03505	2.0
167.08575	3.9
167.13345	1.0
169.06503	1.6
173.09625	2.0
176.06253	1.9
177.05467	2.1
177.07050	3.2
181.06482	6.1
181.12234	13.5
183.08044	1.1
185.05975	5.3
185.09602	1.4
191.10713	4.7
194.07219	5.9
195.08031	7.2
197.06076	4.7
198.06776	2.7
205.06506	10.0
206.07137	2.3
207.08072	1.3
209.06021	1.6
209.09868	2.2
209.11807	3.7
211.07524	1.5
212.08287	1.9
213.09187	1.6
221.06020	3.4
222.06773	9.8
223.07549	29.3
225.05476	2.1
227.10738	3.8
227.12778	70.2
234.06821	2.5
235.07718	1.7
237.09055	5.2
240.07867	3.6
241.08617	16.5
250.06284	10.5
251.07043	29.6
251.09543	1.8
255.10190	4.0
265.08627	29.3
276.16733	1.0
283.06201	4.5
283.09677	100.0
283.15134	22.5
283.20474	2.0
283.28223	1.0
284.09949	1.7
285.00500	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	1.3
53.03933	0.7
55.01862	1.8
55.05515	3.6
56.27328	0.4
56.96563	0.5
57.03455	3.2
57.07089	0.8
59.96289	0.5
65.03949	8.9
67.05242	0.5
67.05514	6.3
69.03411	0.5
69.07072	3.6
69.39050	3.5
71.04998	1.1
71.08613	0.5
73.02927	0.5
79.05069	0.6
79.05505	9.2
81.03416	2.0
81.07059	6.1
83.04982	2.0
83.08649	2.4
91.05484	3.4
93.03412	7.2
93.07048	11.0
95.01353	0.5
95.04965	1.9
95.08618	10.4
97.02888	1.2
97.06549	1.2
99.04449	1.0
105.07044	3.3
107.04965	3.4
107.08601	7.9
109.06537	0.6
109.10161	1.0
111.04395	2.2
111.08055	0.7
115.05451	0.6
117.07026	3.2
119.08593	3.8
121.02878	5.5
121.06505	2.3
121.10171	4.5
121.81263	0.4
125.05966	1.1
129.06969	0.5
130.07832	0.6
131.01303	10.2
131.04915	0.7
131.08549	1.2
133.10127	1.6
135.08093	3.0
135.11707	13.0
137.02345	5.4
139.07617	0.7
143.08508	0.6
145.06494	1.1
145.10141	8.4
147.08032	1.0
149.02356	49.2
149.09592	0.7
153.12753	0.8
155.08713	0.7
163.03912	1.0
163.11197	18.5
167.03416	100.0
168.03851	0.9
173.09637	1.0
180.03664	0.5
181.12244	4.1
191.10704	1.1
199.48314	0.5
209.11769	1.6
225.05376	0.8
227.10545	1.2
227.12793	21.7
240.07779	0.5
245.35919	0.5
251.07088	0.8
283.06366	0.9
283.09674	12.2
283.15390	8.1
283.20691	1.3
283.28299	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01865	2.5
55.05513	4.8
56.96574	5.5
57.03441	3.7
57.07075	1.2
60.16719	0.6
67.05511	8.5
68.99766	0.7
69.03415	2.5
69.07079	6.5
69.31472	4.9
71.04993	1.1
73.02914	0.8
79.05492	9.9
81.03419	1.5
81.07063	10.4
82.07395	1.3
83.04976	1.9
83.08635	4.0
85.02894	1.3
85.06550	1.4
87.04472	1.2
89.05955	0.7
91.05492	6.0
91.20377	0.6
93.07051	11.8
95.04954	2.4
95.08616	10.9
96.08936	1.2
97.02927	1.2
97.06527	2.5
98.20784	1.3
98.97597	6.6
99.04466	1.4
100.11269	0.9
103.05505	1.1
105.07040	3.4
107.04951	2.8
107.08596	8.1
109.06553	1.4
109.10141	3.1
111.04438	1.4
111.08095	1.3
115.00608	0.7
115.05463	0.8
116.98629	1.4
117.07027	2.9
119.08602	3.7
121.02818	0.9
121.06535	1.7
121.10120	3.7
123.08126	1.0
123.11771	1.3
125.05998	1.1
128.06157	0.8
128.98611	0.8
129.06996	1.2
131.08597	1.4
132.61411	0.7
133.10150	1.5
134.99670	0.8
135.08061	1.4
135.11694	8.2
137.09535	0.7
143.08527	0.9
145.10115	6.8
147.11702	0.8
149.13278	0.8
153.12708	0.9
155.08514	1.4
157.10138	0.9
158.99731	2.0
159.11678	1.6
163.11185	12.1
165.01837	1.7
167.07072	2.1
167.08441	0.7
173.09695	1.3
177.00790	1.5
177.62440	0.8
181.12219	2.8
191.10640	0.9
192.12460	0.7
192.62885	2.1
197.06029	1.1
201.63440	2.3
209.11710	1.4
225.05449	1.6
227.10576	1.1
227.12782	14.8
233.11519	3.9
237.02818	0.8
240.07819	1.6
247.16869	1.0
251.07083	1.1
251.11232	0.8
253.05003	1.0
258.65091	0.8
265.14236	1.6
268.07330	1.3
269.12265	3.2
273.65515	2.4
282.66019	5.1
283.06042	7.5
283.09750	9.8
283.15198	100.0
283.20602	4.0
284.15448	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	1.3
53.03933	0.7
55.01862	1.8
55.05515	3.6
56.27328	0.4
56.96563	0.5
57.03455	3.2
57.07089	0.8
59.96289	0.5
65.03949	8.9
67.05242	0.5
67.05514	6.3
69.03411	0.5
69.07072	3.6
69.39050	3.5
71.04998	1.1
71.08613	0.5
73.02927	0.5
79.05069	0.6
79.05505	9.2
81.03416	2.0
81.07059	6.1
83.04982	2.0
83.08649	2.4
91.05484	3.4
93.03412	7.2
93.07048	11.0
95.01353	0.5
95.04965	1.9
95.08618	10.4
97.02888	1.2
97.06549	1.2
99.04449	1.0
105.07044	3.3
107.04965	3.4
107.08601	7.9
109.06537	0.6
109.10161	1.0
111.04395	2.2
111.08055	0.7
115.05451	0.6
117.07026	3.2
119.08593	3.8
121.02878	5.5
121.06505	2.3
121.10171	4.5
121.81263	0.4
125.05966	1.1
129.06969	0.5
130.07832	0.6
131.01303	10.2
131.04915	0.7
131.08549	1.2
133.10127	1.6
135.08093	3.0
135.11707	13.0
137.02345	5.4
139.07617	0.7
143.08508	0.6
145.06494	1.1
145.10141	8.4
147.08032	1.0
149.02356	49.2
149.09592	0.7
153.12753	0.8
155.08713	0.7
163.03912	1.0
163.11197	18.5
167.03416	100.0
168.03851	0.9
173.09637	1.0
180.03664	0.5
181.12244	4.1
191.10704	1.1
199.48314	0.5
209.11769	1.6
225.05376	0.8
227.10545	1.2
227.12793	21.7
240.07779	0.5
245.35919	0.5
251.07088	0.8
283.06366	0.9
283.09674	12.2
283.15390	8.1
283.20691	1.3
283.28299	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02187	0.1
51.02400	0.1
53.00292	0.8
53.03944	0.1
55.01872	0.6
55.05507	0.1
57.03439	0.1
57.07093	0.0
62.39477	0.0
63.02359	0.1
65.03943	9.6
66.04287	0.0
67.05518	0.3
68.99805	0.1
69.07066	0.1
71.01350	0.0
71.55257	0.1
74.86603	0.0
75.02379	0.2
77.03934	0.1
78.88270	0.0
79.01855	0.1
79.05495	0.3
81.03425	0.2
81.07050	0.2
83.01358	0.2
83.04996	0.1
83.08607	0.1
83.60943	0.0
91.05475	0.3
92.02641	0.0
93.03410	6.1
93.07036	0.3
95.01334	0.8
95.04978	0.1
95.08627	0.1
97.06550	0.1
98.97610	0.0
99.04440	0.0
103.01834	0.6
103.05489	0.1
105.07051	0.3
107.04946	0.1
107.08604	0.2
109.10236	0.0
111.04444	0.8
111.08098	0.1
115.05517	0.1
117.06311	0.0
117.07021	0.2
119.08619	0.1
121.02874	5.6
121.03905	0.3
121.06499	0.8
121.10140	0.1
123.11678	0.0
131.01295	9.9
132.01663	0.1
135.08058	2.2
135.11642	0.2
139.03897	0.1
145.10086	0.1
145.89722	0.0
147.08072	0.4
148.01411	0.1
149.02345	57.1
150.02689	0.4
153.12811	0.1
163.03906	0.8
163.11172	0.3
166.05006	0.1
167.03400	100.0
168.03749	0.7
169.03781	0.2
173.09753	0.0
181.04984	0.3
181.12218	0.1
190.05043	0.2
191.10617	0.1
211.07536	0.1
220.08891	0.0
227.12746	0.3
241.08664	0.2
265.08255	0.0
283.09656	3.7
283.15323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0603
Annotation	3-Hydroxy-8,9-methylenedioxypterocarpene
Peak:m/z	Relative Intensity
50.90203	0.2
51.15703	0.3
55.01879	1.7
55.05519	2.2
56.96560	0.8
57.03439	1.6
57.07080	0.6
59.05005	0.4
62.84908	0.2
65.03936	0.3
67.05506	2.6
68.99791	0.8
69.07049	1.3
71.01364	0.3
71.04978	0.8
71.08611	0.3
79.05498	3.8
81.03436	1.3
81.07060	3.2
83.01300	0.3
83.04987	3.8
83.08629	1.4
85.02917	0.4
85.06551	0.3
89.03898	1.7
89.05989	0.3
90.95636	0.3
91.05476	2.3
93.07053	4.4
95.04977	1.1
95.08614	2.9
97.02898	0.5
97.06523	1.2
97.10157	0.5
98.97550	0.5
99.04478	0.4
99.96349	0.3
103.05426	0.5
105.03421	0.4
105.07029	1.6
107.04953	1.1
107.08598	2.6
109.06514	0.4
109.10147	0.9
111.04448	2.9
111.08060	1.1
112.99212	0.3
115.05457	0.7
116.98630	0.6
117.07022	1.1
119.08595	1.0
121.02842	0.3
121.06503	0.7
121.10179	2.0
123.08085	0.4
125.05991	0.5
126.97085	0.3
128.06245	0.5
129.06999	1.2
131.08551	0.9
133.10153	0.3
135.11703	2.4
137.02376	0.8
141.07001	5.5
143.07005	0.3
143.08545	0.4
145.06479	0.3
145.10127	1.9
147.04364	0.6
147.08101	0.4
149.01152	0.4
149.02341	0.4
149.09563	0.5
152.06195	0.5
153.07014	1.1
153.12738	3.9
155.04913	1.7
157.06476	0.9
157.10077	0.3
159.07915	0.3
163.03922	0.6
163.11200	4.7
168.05736	0.4
169.06511	5.3
171.04434	0.4
171.07991	0.3
173.09583	0.5
181.06526	1.7
181.12227	2.8
183.04425	3.6
191.10718	1.8
197.06007	10.1
198.85449	0.3
199.07536	1.7
199.14835	0.3
209.05936	0.3
209.11722	1.0
224.04665	1.0
225.05484	41.3
226.05861	0.6
227.07047	2.6
227.10612	0.3
227.12790	4.3
228.04268	0.6
253.04979	31.3
253.63300	0.3
254.05673	0.9
255.06477	1.5
265.05063	0.5
268.03781	1.6
269.12463	0.5
283.06033	100.0
283.15286	5.1
284.06409	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.01875	0.6
55.05508	1.0
56.05067	0.5
56.96566	1.6
57.03429	0.5
57.51684	0.3
61.02935	0.7
64.69780	0.5
67.05511	1.0
68.05047	0.5
68.95993	0.3
69.03429	2.6
69.07073	0.8
70.06570	0.9
71.01341	0.3
71.04994	0.4
71.55462	0.4
71.55824	0.4
79.05511	1.8
80.05013	1.9
80.56615	0.3
81.03436	1.5
81.07073	2.7
82.06577	0.4
84.08149	1.5
85.02912	2.7
86.06078	0.9
86.09718	1.2
87.04472	16.3
88.04000	0.4
91.05461	0.8
93.07058	3.1
94.06567	0.5
95.08610	1.6
96.08119	0.6
97.02904	2.9
98.06053	1.5
98.97573	2.2
102.05560	0.5
102.91489	0.4
103.05509	0.4
105.07011	0.6
106.07395	0.3
107.04961	1.0
107.08614	1.9
108.08141	1.8
109.08875	0.6
110.09682	2.1
110.97549	0.9
116.07088	0.6
116.98618	0.8
119.08664	0.6
120.08128	2.0
121.06431	0.4
121.10075	0.6
122.03687	0.5
122.09692	1.5
123.10438	0.7
123.11730	0.5
124.07616	0.5
124.11225	0.7
127.03890	0.5
128.98640	0.9
129.10211	0.5
134.09622	0.5
135.11705	3.3
136.07593	0.4
136.11221	1.2
136.24887	0.3
137.05998	7.2
137.13243	0.7
146.06070	0.5
150.09135	0.4
150.12784	3.1
151.07487	0.4
152.14359	15.7
160.99117	0.8
161.05983	0.4
163.07555	0.6
166.07318	0.5
166.08627	4.2
178.03883	1.2
178.12343	0.4
179.00182	2.2
180.00447	0.4
180.10243	1.0
181.10915	0.7
184.00404	0.4
184.09691	1.3
184.13306	1.1
193.03200	0.5
194.11755	2.8
195.12627	0.4
196.13425	0.6
197.01221	2.4
208.13316	4.4
209.14078	1.5
210.14867	0.7
211.02722	0.6
215.02330	0.7
219.01787	0.5
220.13371	0.4
220.16893	0.4
236.16444	0.8
236.28990	0.4
237.02788	0.6
238.18028	100.0
240.19548	0.8
260.91998	0.4
282.20642	72.2
283.09662	0.5
283.20978	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0592
Annotation	Pseudobaptigenin
Peak:m/z	Relative Intensity
50.29557	0.1
51.02374	0.1
53.03940	0.3
55.01875	3.8
55.05502	0.3
56.96565	0.2
57.03429	0.4
59.04990	0.2
65.03941	0.5
65.36560	0.1
67.01857	0.2
67.05509	0.8
68.99440	0.1
68.99788	1.6
69.03430	0.5
69.07069	0.2
69.88404	0.4
79.01859	3.3
79.05503	0.7
81.03420	1.2
81.07057	0.6
83.04960	0.1
87.04468	0.2
91.05478	1.1
92.99760	0.6
93.07029	0.6
95.04958	0.3
95.08587	0.2
97.02902	0.9
97.06515	0.4
97.54513	0.1
98.97571	0.1
99.00814	0.9
105.07017	0.3
107.04957	1.1
107.08608	0.5
109.02863	0.4
111.04422	0.2
117.06993	0.3
119.04947	2.9
119.08588	0.3
121.02872	9.2
121.10147	0.5
123.00794	1.4
125.05955	0.1
127.03886	0.1
129.05556	0.1
129.07008	0.1
131.04903	0.2
131.08575	0.2
133.10063	0.1
135.11685	0.4
137.01370	0.1
137.02353	2.3
141.01831	6.8
145.02834	0.7
145.06473	0.4
145.10132	0.5
147.00766	0.1
147.04405	0.3
149.05977	0.1
149.09592	0.2
155.03383	0.3
157.06476	0.4
163.03914	0.3
163.11145	0.5
165.01839	42.8
166.02173	0.3
167.07047	0.3
173.09625	0.6
181.05000	0.2
181.06444	0.1
183.02896	15.7
185.05972	0.4
187.03938	0.1
191.10648	0.7
205.04988	0.2
209.11705	0.3
211.03954	0.1
213.05498	1.3
227.06947	0.2
238.17940	0.5
239.18416	0.7
241.05049	0.2
253.10638	0.1
255.06526	1.1
255.09021	0.2
256.07220	0.2
259.06125	0.2
282.20715	0.3
283.06012	100.0
283.20605	0.7
284.06573	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.5
53.39026	1.2
54.16716	1.2
55.01870	2.7
56.96579	10.1
57.03449	7.5
57.07060	1.6
61.02933	9.2
69.03431	18.2
69.69227	8.2
69.95497	1.4
70.06590	3.8
70.98158	1.6
71.04998	2.4
72.08158	1.2
73.02920	5.6
81.03429	7.9
81.07034	1.3
82.12654	1.2
84.08140	3.0
84.96038	1.4
85.02914	72.0
85.06557	9.8
86.03250	1.4
86.09708	1.4
87.04463	2.2
88.03974	1.6
91.03972	4.1
91.05505	2.5
91.81239	1.1
95.08625	1.4
97.02907	17.8
98.06044	2.1
98.97604	13.0
99.04475	3.3
107.04937	1.5
109.02888	5.7
110.01301	1.6
110.97555	3.6
112.07621	3.3
115.02325	1.1
116.98647	6.5
119.04940	1.6
120.08109	1.7
124.04059	1.2
127.03922	17.8
128.98624	3.0
133.05020	1.6
134.09644	2.2
134.99669	2.0
136.06187	7.7
136.07661	1.3
137.06003	3.5
137.51964	1.1
145.04974	32.3
146.06068	1.6
146.99635	2.1
147.04408	1.7
150.01382	3.3
150.07764	100.0
156.03363	3.3
158.06679	3.9
158.99675	4.1
159.06754	5.9
161.00552	2.7
162.05524	3.0
163.06082	7.9
170.99620	1.3
174.04448	3.4
176.07744	1.7
177.00745	4.1
177.07898	9.5
178.00841	8.6
186.04355	4.0
188.07726	1.4
189.00700	1.8
191.03877	3.0
191.54099	4.0
193.03203	41.0
197.01379	1.3
198.04590	1.5
200.04369	2.2
200.54704	2.0
201.04776	1.3
204.05446	4.0
206.11703	6.1
215.02197	1.9
219.01817	2.7
226.11090	2.2
229.10782	1.5
244.12033	1.7
252.12643	12.5
254.08730	1.7
264.12665	5.9
269.05466	2.0
270.13638	7.2
272.09708	2.4
282.08273	3.1
282.13974	16.1
282.22180	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	282.1492
Annotation	Bharatamine
Peak:m/z	Relative Intensity
53.03936	1.3
55.01865	0.7
55.05517	3.5
56.96570	4.4
57.03429	1.6
57.07070	1.2
67.05171	0.8
67.05509	10.7
67.06036	0.5
69.03420	1.2
69.07078	5.5
70.07397	0.5
70.13863	1.8
71.05013	0.9
77.03932	0.7
79.05499	31.3
81.03409	1.2
81.07066	10.1
83.04945	0.5
83.08613	0.8
85.06528	0.5
86.06081	2.7
87.04477	3.8
91.05479	3.5
93.07046	7.3
95.04994	3.1
95.08615	15.3
96.08919	0.5
97.02901	0.7
98.97589	7.3
102.05579	0.6
102.15379	0.4
103.05476	63.4
104.05791	0.4
104.07117	4.7
104.15375	0.4
105.04544	0.7
105.07043	6.1
107.04964	28.7
107.08605	4.4
109.06525	1.0
109.10156	7.5
110.97580	0.5
116.98609	2.4
117.07062	0.8
118.06547	3.3
119.07357	2.9
119.08578	4.4
121.06516	2.1
121.10143	1.5
123.08035	0.7
123.11745	0.6
127.63737	0.4
131.04938	23.0
132.08083	0.6
133.10121	1.9
134.09660	57.6
135.11699	2.1
137.05405	0.5
137.09647	1.5
137.55658	0.7
145.10147	0.5
149.06012	2.7
149.13275	1.0
151.14809	2.5
155.92490	0.4
158.99648	2.1
161.13269	0.8
163.11182	1.2
168.11771	0.7
170.46556	0.5
172.81230	0.5
173.61087	0.4
177.00710	1.4
177.12178	0.6
179.14330	1.8
182.61656	0.5
183.12198	0.8
184.13332	1.4
186.12743	0.9
191.62111	0.7
192.12881	0.6
200.12535	0.5
201.13283	1.4
212.13013	0.5
219.01889	0.4
222.13713	0.5
227.12762	1.3
255.14409	0.4
257.64212	1.0
258.14868	1.5
261.79489	0.4
263.64114	0.6
264.14896	2.1
266.64758	1.1
272.64792	1.2
273.15390	6.5
273.65579	0.7
281.65265	1.5
282.14908	100.0
282.20197	13.7
283.06024	1.1
283.15192	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	281.1749
Annotation	Myxostiolide
Peak:m/z	Relative Intensity
51.02385	1.8
53.03954	9.0
55.01874	7.5
55.05512	66.6
57.03188	2.1
57.03439	22.9
57.07078	34.4
58.06586	1.6
61.42662	1.3
63.28912	1.5
65.03928	6.4
67.05507	90.9
69.03414	2.7
69.07071	75.8
70.06593	1.5
71.04993	4.5
71.08636	18.0
72.04521	2.5
72.08150	5.1
73.06567	2.0
77.03926	1.7
79.05495	100.0
81.03417	13.6
81.07059	83.4
83.04985	37.0
83.08624	53.0
83.09117	2.6
85.06546	4.0
85.10184	6.0
86.06059	9.2
86.09720	2.2
91.05482	66.9
91.40498	1.3
93.07046	68.1
95.04372	2.1
95.04974	29.7
95.08610	61.7
97.02883	1.7
97.06534	17.9
97.10173	36.1
98.20753	4.0
99.08090	3.4
100.07623	12.1
105.04520	1.9
105.07035	47.2
107.04933	7.8
107.08598	33.0
109.06535	7.1
109.10153	19.1
111.08073	11.3
111.11720	13.6
114.09187	12.7
117.06995	9.9
117.61620	1.3
119.08584	30.3
121.06496	3.0
121.10134	16.9
123.08078	7.8
123.11724	6.1
125.09644	5.7
125.13291	3.6
127.07576	2.5
128.06242	3.2
128.10693	6.5
129.06987	15.8
131.08551	2.4
133.10127	12.4
135.11714	16.8
137.13231	2.8
139.11182	3.7
141.09134	1.7
142.12282	3.3
143.08592	9.3
145.10132	9.1
147.04413	4.2
147.08060	2.1
147.11700	34.5
149.13300	9.2
151.14833	3.8
153.12709	2.3
156.13904	2.2
161.09610	5.1
161.13261	13.3
163.14835	5.7
165.16449	2.3
170.15454	2.0
171.11693	23.1
177.16411	3.4
177.55765	1.3
181.15956	1.7
184.16969	1.8
189.12796	8.9
191.17911	2.6
198.18602	1.4
205.19470	1.7
207.13783	12.1
225.14906	1.6
240.26927	2.5
247.24207	21.7
265.25241	15.3
281.07990	2.6
281.17535	29.1
282.27930	48.7
282.31113	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2478
Annotation	10Z,12Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03960	1.9
55.01884	3.1
55.05266	2.7
55.05519	37.6
56.96572	5.9
57.03437	4.4
57.07083	40.3
65.03942	6.1
67.05511	81.0
68.98951	2.3
69.03425	2.3
69.07074	45.7
69.92482	8.9
71.04986	5.0
71.08633	21.2
79.05499	31.5
80.56634	2.4
81.07066	100.0
83.04975	10.6
83.08623	35.7
84.76147	1.9
85.06551	4.0
85.10175	11.1
91.05489	38.3
93.07059	27.2
95.04996	5.7
95.08616	90.3
97.06551	5.1
97.10173	26.1
98.21485	3.9
98.97580	5.9
99.08074	2.4
105.07037	23.6
105.73589	1.9
107.08604	16.7
109.06507	5.4
109.10166	39.8
111.08088	4.5
111.11722	8.8
112.08633	2.1
115.05496	1.9
116.98631	3.0
117.07044	1.9
119.04977	9.8
119.08579	30.0
119.95987	1.9
121.06528	7.0
121.10158	15.8
122.89090	2.2
123.08081	6.6
123.11730	17.2
125.43060	2.5
133.02919	3.8
133.06503	3.3
133.10143	36.2
133.11107	3.7
133.67737	2.1
135.11720	8.7
137.02451	2.7
137.09656	5.0
137.13290	8.6
143.08582	2.9
147.04411	19.0
147.08086	2.4
147.11710	16.0
149.13322	6.6
151.11208	6.0
151.14818	4.3
161.02339	11.5
161.05960	16.4
161.13235	11.2
162.06427	2.3
163.14798	6.0
163.73326	2.1
165.16422	2.2
175.14862	5.9
179.03380	6.6
179.10689	2.1
189.09129	3.0
189.16415	4.5
197.19069	3.0
202.54077	2.1
203.17958	3.1
219.21045	4.9
220.05766	3.9
220.55821	3.0
221.22653	36.9
229.56451	9.1
230.06357	2.0
237.22154	3.8
239.04340	2.6
245.22694	44.0
253.25436	2.3
263.07034	10.3
263.23691	23.2
281.08032	18.5
281.13910	5.2
281.17404	3.4
281.24829	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	281.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.2
55.01872	11.3
55.05273	2.4
55.05516	40.1
56.96557	5.6
57.03441	28.2
57.07085	11.3
65.03943	4.9
67.05508	95.7
69.03426	3.3
69.07069	36.7
71.04984	6.5
71.08623	7.2
71.14140	4.3
73.06586	2.7
77.03911	1.7
79.05498	100.0
81.03415	16.6
81.07060	88.5
83.04990	31.8
83.08623	18.7
85.02893	2.0
85.06530	7.2
85.10169	3.2
91.05480	83.7
93.07050	77.4
95.04975	32.4
95.08611	61.7
97.02874	3.3
97.06533	9.9
97.10178	12.8
98.97572	8.3
99.08083	4.0
103.05496	2.2
105.03368	2.0
105.04530	2.5
105.07032	66.4
107.04980	12.0
107.08601	28.3
109.06532	14.4
109.10168	20.1
111.04426	2.8
111.08069	3.0
111.11726	4.3
113.09660	3.3
115.05476	2.3
116.98605	4.6
117.07015	12.3
119.04955	13.0
119.08582	37.1
121.06494	5.7
121.10152	8.7
123.08102	11.2
123.11653	8.9
128.06230	3.7
129.07014	20.8
130.07793	2.0
131.08559	7.1
133.02809	3.0
133.06509	6.0
133.10146	21.8
134.99623	1.7
135.08034	4.2
135.11687	3.2
137.06004	1.9
137.13255	4.2
140.17392	1.5
142.07837	1.8
143.08565	10.7
145.10156	14.4
147.04431	27.7
147.08057	5.2
147.11691	40.5
149.09642	4.0
149.13304	2.6
151.07594	2.1
151.14824	1.7
154.90332	1.8
157.10139	3.6
159.11726	3.3
161.02327	15.2
161.09639	8.5
161.13274	15.5
163.11156	2.9
165.21829	1.8
171.11688	33.1
175.11121	1.7
189.12697	11.0
207.13770	13.3
242.12500	1.8
245.15285	2.6
249.11134	2.7
263.06970	7.6
263.23688	2.5
281.08069	26.5
281.14307	4.0
281.17365	39.9
281.22083	3.1
281.28311	4.5
299.06155	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	281.175
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02387	1.2
51.24084	1.1
53.03947	10.4
55.01884	5.7
55.05516	35.7
56.96568	3.0
57.03441	29.6
57.07073	4.6
58.82601	1.2
59.05005	1.1
65.03947	6.2
67.05511	89.1
69.03420	4.0
69.07075	21.1
71.05005	7.3
71.08624	3.0
73.06566	2.2
79.05499	100.0
81.03421	13.8
81.07065	73.1
83.04987	35.6
83.08621	12.3
85.02900	3.0
85.06547	5.3
87.04529	1.8
91.05487	74.1
93.07050	75.0
95.04977	28.9
95.08614	52.9
97.02914	2.1
97.06542	9.4
97.10175	8.7
98.97583	5.9
99.04445	1.4
99.08099	1.6
103.05511	1.5
105.04548	1.2
105.07036	63.2
107.04966	10.1
107.07881	1.5
107.08604	26.7
109.06515	7.7
109.10167	15.1
109.80824	1.2
111.08079	2.3
113.09668	2.6
115.05407	2.1
116.98606	1.7
117.07034	12.3
119.04954	6.3
119.08591	35.4
121.06508	5.0
121.10164	7.9
123.08074	8.0
123.11700	5.1
127.07612	2.9
128.06255	1.6
129.07021	18.2
131.08569	5.9
133.06509	3.0
133.10146	19.9
135.08040	2.6
135.11697	5.1
137.09608	2.0
137.13242	3.6
141.09183	2.5
143.07021	1.9
143.08566	11.9
145.10130	12.7
147.04405	11.7
147.08078	4.8
147.11697	39.0
149.13268	1.6
151.11200	2.0
158.99651	1.4
159.11623	1.4
161.02290	6.6
161.09625	10.0
161.13293	15.6
163.11209	2.2
165.09041	1.8
171.11694	32.1
177.16370	1.4
179.14445	1.4
189.09091	1.9
189.12749	10.2
193.67921	1.3
207.13815	11.6
235.00902	1.2
263.07053	3.4
272.14554	1.3
281.08127	11.6
281.17459	38.4
281.24747	2.0
299.06128	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12094	0.4
56.05037	1.3
56.96560	1.0
64.03032	0.4
64.04533	0.3
69.07084	0.6
69.97534	1.5
70.02953	1.5
70.06591	0.5
74.06075	2.1
75.88759	0.4
81.04559	1.0
84.08118	0.3
85.02925	0.4
86.09707	0.7
88.03993	3.6
91.05452	1.8
94.04057	0.6
95.08611	0.6
97.06557	0.5
98.06850	0.5
98.97585	1.3
102.05547	1.4
103.05482	1.5
107.04939	0.9
116.98604	0.5
119.03542	5.5
120.06618	7.1
120.08103	18.7
122.07165	0.6
123.07954	4.0
130.06528	1.6
131.04933	0.8
136.06190	100.0
137.04596	2.5
162.04118	59.2
166.08656	6.5
172.07520	0.9
175.08679	1.7
182.05971	0.7
190.08562	0.7
200.07007	3.0
221.09279	1.1
235.10818	3.5
240.03168	0.5
245.12788	0.7
246.07660	1.8
266.99835	0.8
281.10025	8.8
281.13452	0.5
281.14890	0.7
283.03024	0.8
285.15228	0.5
299.06210	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.1
55.03000	0.1
55.05500	0.2
56.05047	0.7
56.96578	0.8
57.03429	0.1
60.04533	0.1
60.50565	0.1
69.03423	0.2
69.07066	0.2
69.37360	0.9
70.06600	0.3
71.15953	0.1
74.06091	1.7
77.00919	0.1
80.72135	0.1
83.08604	0.1
84.04489	0.4
84.08150	0.4
85.02903	0.2
86.09679	0.2
88.07629	0.2
91.05486	0.6
94.04060	0.3
95.01938	0.3
95.04948	0.1
95.08638	0.3
98.97588	0.4
102.05557	0.9
103.05477	0.1
105.07040	0.3
107.04978	0.5
110.07094	0.1
116.98631	0.3
119.03560	4.7
119.04903	0.3
120.06590	5.7
120.07998	0.2
123.07986	0.3
128.94562	0.1
129.10245	0.1
131.04932	0.3
131.08574	0.2
133.06526	0.6
136.06201	100.0
137.04599	3.0
137.06604	0.3
145.02711	0.1
147.04411	0.7
147.09161	1.1
148.04762	0.3
149.06119	0.2
151.02794	0.2
151.06190	0.1
151.07471	0.2
162.04126	56.1
163.04375	0.4
177.02318	0.2
177.05495	0.3
179.05525	0.4
179.07033	0.2
196.79716	0.1
207.07785	0.2
208.06128	0.3
215.04749	0.2
225.04320	0.2
235.02879	0.2
235.09573	0.2
241.05676	0.2
260.04410	0.2
266.99863	0.2
281.10007	9.9
281.14746	2.5
283.03098	0.3
299.06174	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0811
Annotation	Neodunol
Peak:m/z	Relative Intensity
55.05523	1.3
56.96561	2.4
57.07080	1.9
61.29789	0.9
65.03938	2.1
67.05514	2.7
69.07074	1.0
69.80051	1.4
69.80449	2.4
75.32394	0.7
77.03973	1.2
79.05489	1.8
81.03444	1.4
81.07072	3.4
83.08627	1.0
91.05486	22.3
93.07061	2.4
95.04980	2.2
95.08617	2.3
98.97601	3.2
105.03398	8.5
105.07021	2.9
107.04959	1.7
107.08659	0.9
109.10185	1.0
115.05461	0.9
116.98578	0.9
119.04952	45.2
119.08588	1.1
120.02068	1.5
123.04432	1.0
131.04974	0.9
132.34248	0.7
133.01863	0.8
133.02861	15.2
133.10165	1.3
135.04398	2.1
137.02310	4.5
147.04420	100.0
147.11781	0.8
149.02423	0.8
151.03928	4.1
161.02350	58.5
163.03920	1.1
165.06940	1.0
171.04407	3.5
178.07797	2.5
179.03424	9.7
179.08585	3.4
187.03920	3.5
207.08006	4.0
221.05905	0.9
234.06723	2.2
234.92133	0.9
235.07565	3.6
238.06215	0.8
239.04605	1.0
239.07115	1.1
239.31364	0.8
262.06363	0.9
263.07050	33.6
266.05756	2.1
277.00677	0.8
277.94180	0.7
279.40695	0.8
281.08099	84.9
281.19385	2.8
282.08438	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.081
Annotation	Neodunol
Peak:m/z	Relative Intensity
51.02372	0.5
53.03944	0.3
55.01880	0.3
55.05518	0.6
56.96565	0.4
57.07078	0.5
58.02956	0.3
65.03932	1.4
67.05502	1.1
68.05837	0.3
69.07055	0.6
69.85637	1.4
77.03546	0.3
77.03914	1.7
79.05486	0.7
81.07065	0.8
82.06570	0.3
83.08633	0.3
91.05482	22.1
92.05784	0.2
93.07021	0.5
95.04984	1.4
95.08624	1.0
97.14256	0.2
98.20677	0.3
98.97582	0.9
105.03393	9.9
105.07018	0.3
107.04966	1.4
107.08607	0.3
109.10168	0.6
116.98650	0.6
119.04945	45.4
120.02094	1.8
120.05294	0.4
121.10162	0.3
122.84839	0.3
123.04410	1.3
131.04924	0.4
133.02855	15.3
135.04388	1.9
137.09438	0.3
147.04411	100.0
148.04768	0.8
151.03915	4.5
159.04405	0.5
161.02342	59.8
162.02693	0.5
165.07022	0.4
178.07755	2.3
179.03386	10.8
179.08568	3.5
181.06598	0.3
187.03897	4.1
189.07021	1.0
192.65842	0.3
206.07309	0.6
207.08051	5.2
210.06845	0.4
211.07635	0.3
217.06493	0.5
218.07285	0.9
221.06094	0.5
234.06741	2.4
235.07536	4.3
239.06940	0.5
245.06046	0.6
251.25742	0.4
253.08356	0.3
263.07040	39.0
264.07382	0.6
266.05768	1.6
280.26337	0.3
281.08087	85.2
281.26715	3.3
282.08456	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72001	0.4
51.76375	0.4
53.03938	1.2
55.01859	0.6
55.05507	2.4
56.96572	2.2
57.03422	0.6
57.07066	1.5
67.05511	3.5
68.99797	1.9
69.03411	1.4
69.07077	5.2
71.04993	1.4
71.08630	0.6
79.05502	2.2
81.03419	10.3
81.07056	5.7
83.08614	1.0
83.17406	0.4
84.96011	0.4
85.02908	0.5
85.06575	0.5
86.09748	0.6
91.05488	5.1
93.07046	2.1
95.05003	0.7
95.08607	4.6
96.02113	1.0
97.10167	1.1
98.97587	3.7
105.03400	1.7
105.07037	1.9
107.04954	2.1
107.08608	1.3
109.02875	1.4
109.06493	0.8
109.10148	2.7
111.04445	1.2
115.05453	15.9
116.98610	1.6
117.03412	2.8
117.07024	0.7
119.04961	5.3
119.08569	1.3
119.74821	0.5
121.10107	1.0
123.08127	0.7
123.11690	1.6
127.03899	1.6
128.98605	0.7
131.04915	2.0
133.02870	1.8
133.06439	0.6
133.10075	1.2
134.99658	0.5
135.04431	1.7
137.02342	100.0
137.09596	0.5
138.02666	0.8
143.04929	26.4
145.02856	1.1
145.10118	0.8
147.04420	9.3
147.11717	0.5
149.02428	0.5
149.13237	0.7
151.03914	1.2
155.03387	2.2
155.08537	0.6
161.02365	6.3
161.05994	0.6
161.09677	0.9
163.03915	11.4
165.07045	0.8
169.09938	0.5
171.04417	67.2
178.07780	1.7
179.03444	2.2
179.08568	2.1
183.07962	0.7
195.08023	1.2
207.08073	1.8
211.07576	1.9
220.57248	0.5
234.06888	0.6
235.07538	3.8
236.53265	0.5
239.07150	0.9
246.04651	0.5
257.14053	1.1
263.07059	7.1
263.14117	0.4
266.05750	7.0
266.99518	0.5
269.10754	0.8
281.08090	81.7
282.08279	0.9
299.06183	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0811
Annotation	Neodunol
Peak:m/z	Relative Intensity
50.09496	0.4
51.02388	0.6
52.01480	0.5
53.03954	0.7
55.05515	1.4
56.96572	3.0
57.07073	0.9
58.25260	0.5
60.34997	0.5
65.03938	1.4
67.05506	2.1
69.03445	0.6
69.07058	1.7
69.25463	5.1
69.60688	0.5
70.83635	0.5
74.61308	0.5
77.03935	2.0
79.05507	4.3
80.05827	1.3
81.07064	3.2
83.04987	1.1
83.08614	0.9
91.05488	20.9
93.07057	2.4
95.04983	2.2
95.08630	2.6
98.97598	1.8
103.05482	1.3
105.03394	10.8
105.04514	0.8
105.07041	17.7
106.07374	10.9
107.04967	2.1
107.08619	0.9
109.10165	1.6
116.98666	1.2
117.06977	0.8
119.04956	43.9
119.08607	1.0
120.02077	0.9
121.02859	0.6
121.10139	0.8
123.04414	1.9
123.08057	0.6
125.81785	0.6
131.08585	0.6
133.02850	14.2
133.10167	1.0
135.04420	2.1
147.04422	100.0
147.11731	1.0
151.02847	0.9
151.03912	4.3
159.04456	0.7
161.02353	59.9
171.11702	1.1
173.97989	0.5
176.14293	1.0
178.07837	2.0
179.03401	10.1
179.08588	4.2
181.06570	0.6
183.66238	0.5
187.03918	4.6
189.07036	0.6
202.97499	0.6
206.07288	0.8
206.72336	0.6
207.08098	5.2
215.83273	0.6
234.06750	2.0
234.99963	0.5
235.07562	4.0
263.07062	37.5
266.05603	1.3
267.09091	1.6
281.08096	82.3
281.20966	22.1
282.08478	1.5
283.02826	0.6
285.10239	0.8
299.06088	1.0
299.11682	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	281.0811
Annotation	Neodunol
Peak:m/z	Relative Intensity
50.48134	0.3
51.02377	0.4
53.00305	0.4
53.03949	1.2
55.01859	0.5
55.05523	2.7
56.96582	2.2
57.03440	1.2
57.07066	0.9
57.62526	0.4
60.79875	0.4
65.03945	1.9
67.05509	3.8
69.03431	1.0
69.07082	2.7
69.70246	2.4
71.04992	0.7
71.08624	0.7
72.40922	0.4
77.03941	1.3
79.05499	3.4
81.03423	0.7
81.07061	4.9
83.04982	1.1
83.08617	1.4
83.99731	0.4
85.02907	1.6
85.06536	0.5
91.05486	21.9
93.07059	3.7
95.04974	2.1
95.08607	4.5
97.02916	0.6
97.06527	0.4
97.10171	0.9
98.21172	1.3
98.97581	2.7
105.03395	10.4
105.07042	5.2
107.04944	2.1
107.08602	2.7
109.06513	0.5
109.10131	1.9
111.08141	0.4
116.98656	1.0
117.07071	0.5
119.04952	45.8
119.08598	2.5
120.02089	1.4
121.02983	0.4
121.06501	1.0
123.04382	1.9
123.08056	1.0
123.11732	0.7
127.91193	0.4
128.98512	0.4
129.07016	0.8
131.04965	0.8
131.08638	0.5
133.02858	15.2
133.06467	0.4
133.10127	2.9
135.04433	1.6
135.11656	0.7
137.13284	0.5
140.74086	0.4
143.08575	0.7
145.10097	0.6
146.07440	0.4
147.04419	100.0
147.11693	1.5
148.04752	0.9
150.02705	0.4
151.03929	4.2
158.99690	0.6
159.04321	0.5
161.02348	58.0
161.09628	3.4
161.13266	0.5
162.02673	0.4
163.03940	0.5
171.11728	0.8
175.92360	0.4
177.00702	0.6
178.07719	1.8
179.03415	9.9
179.08572	3.4
179.10583	0.6
187.03912	3.6
189.06981	0.9
189.08990	0.9
189.12708	0.9
207.08070	4.6
211.07469	0.5
218.07271	0.7
221.06175	0.4
231.09044	0.5
234.06752	2.0
235.07559	4.0
238.06219	0.4
239.07130	0.6
263.07050	36.6
264.07327	0.5
266.05743	1.8
266.99728	0.6
276.08871	0.4
281.08099	84.2
281.13773	1.9
282.08408	1.3
299.06219	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.081
Annotation	Neodunol
Peak:m/z	Relative Intensity
55.05513	1.0
56.96558	1.0
61.54762	0.6
65.03947	1.8
65.84686	0.6
67.05516	1.2
69.07063	1.1
70.99395	1.3
77.03941	1.1
79.05511	0.7
81.07058	1.8
83.15540	0.5
91.05485	20.2
93.07083	0.9
95.04972	1.3
95.08596	0.8
98.97578	0.7
105.03392	10.1
107.04941	2.4
119.04950	46.3
119.08549	0.6
120.02101	1.5
123.04428	1.6
133.02858	15.4
133.03793	0.6
135.04413	2.1
136.93123	0.6
138.52867	0.8
147.04416	99.7
148.04756	0.8
151.03931	4.6
161.02348	57.0
165.06973	2.4
178.07834	2.3
179.03404	10.3
179.08556	3.6
181.06480	0.7
182.07213	0.8
184.07408	0.6
187.03922	4.0
189.06918	1.0
193.06482	1.1
195.71025	0.6
207.08113	4.5
210.06793	1.1
218.07378	0.7
221.05954	5.5
228.15820	0.7
234.06752	2.5
235.07469	4.0
237.05392	0.7
238.06213	2.4
239.06949	0.8
249.88951	0.5
253.08603	0.8
263.07043	38.0
266.05804	4.2
278.12589	0.6
281.08099	100.0
281.29425	2.0
282.08380	2.1
287.26584	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
55.05515	0.9
56.96561	1.9
65.03938	1.6
67.05501	2.6
67.59487	0.5
69.03410	0.6
69.07079	1.0
69.48830	1.2
69.49250	2.7
77.03927	2.4
79.05494	1.8
80.04537	0.6
81.03367	0.8
81.07068	1.9
89.18972	0.6
91.05485	23.7
93.07055	1.4
95.04982	4.2
95.08607	1.7
97.06578	0.8
97.75924	0.5
98.21479	1.3
98.97591	2.3
105.03396	9.7
105.07050	1.8
107.04981	2.3
107.08583	1.0
109.06515	0.8
111.04433	0.6
119.04953	44.5
119.08577	1.1
120.02081	2.1
121.02872	0.6
121.06512	1.1
121.10168	0.8
123.04494	1.4
131.04901	0.9
133.02852	14.5
133.10156	1.6
135.04427	1.5
135.08122	1.4
137.02353	0.9
143.04890	0.7
147.04419	100.0
148.04710	1.1
151.02856	0.9
151.03926	5.0
159.04497	0.9
161.02353	62.8
163.03963	0.6
171.04398	0.9
178.07800	3.2
179.03384	10.4
179.08548	3.5
181.06499	0.7
187.03944	4.3
189.07051	1.5
206.00139	0.6
207.08076	5.5
216.54588	0.7
218.07379	1.0
221.06070	0.8
221.27261	0.7
222.52237	1.3
225.12904	0.7
228.47711	0.7
234.06825	2.1
234.92238	0.8
235.07623	3.5
237.04082	1.3
239.06873	0.8
240.07204	0.7
245.06036	0.7
246.04485	0.8
262.06519	0.7
263.07056	41.8
266.05756	1.7
266.99857	0.7
281.08099	90.5
281.19077	1.6
282.08331	1.8
299.06158	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.2
53.00312	0.8
53.03956	0.2
55.01898	0.1
57.41851	0.1
59.92820	0.1
65.03947	46.1
66.04281	0.3
67.05489	0.1
69.47437	0.1
70.16090	0.3
74.11237	0.1
74.23675	0.1
77.03939	1.0
79.01855	0.6
83.04985	1.0
84.93591	0.1
90.58178	0.1
91.01871	0.1
93.03413	21.3
94.03770	0.1
95.05007	0.2
105.03405	1.3
105.04516	0.2
105.39512	0.1
106.06542	0.1
107.01325	0.7
107.04961	2.4
109.02882	0.1
120.40361	0.1
121.02886	0.2
126.48785	0.1
133.02876	0.4
133.06503	0.2
151.03926	0.3
157.06529	0.1
161.02348	6.3
165.06989	0.1
171.08040	0.1
172.95107	0.1
179.03406	100.0
180.03752	1.0
181.03819	0.3
183.08070	0.1
187.03934	0.1
193.04933	0.2
220.06003	0.1
239.07013	0.5
263.07092	0.2
275.19855	0.1
281.08093	4.8
299.09189	0.2
300.12991	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	281.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.7
56.96556	1.1
59.46287	0.6
65.03948	1.5
67.05493	1.8
69.03451	0.5
69.07085	0.6
69.75850	0.6
71.55457	0.8
76.15982	0.6
77.03938	1.8
79.05495	1.6
81.07044	1.1
91.05488	20.2
93.07065	1.4
95.04974	3.6
95.08613	2.1
98.97594	1.4
105.03398	8.8
105.07052	1.6
107.04978	1.6
107.08559	1.0
109.06525	0.7
109.10146	0.8
116.98663	1.4
119.04952	42.4
119.08604	1.2
120.02097	1.4
121.06541	0.7
123.04469	1.4
131.08571	0.8
133.02856	13.8
133.10103	1.3
135.04440	1.5
135.08034	1.2
137.02364	1.4
147.04419	100.0
147.11682	0.7
148.04810	0.9
151.02866	0.7
151.03893	3.2
161.02351	57.1
162.02750	0.7
163.07274	0.6
171.04462	0.9
173.13310	0.7
178.07817	2.0
179.03401	9.8
179.08562	3.4
187.03929	4.1
189.06944	0.7
199.90738	0.7
207.08101	4.6
209.02846	0.7
218.07275	0.7
221.06180	0.7
222.52254	0.8
234.06812	2.3
234.92213	0.8
235.07512	4.6
237.04247	1.2
239.06932	0.7
246.04758	0.7
253.08887	0.5
260.16315	0.6
260.19119	0.7
263.07047	36.2
264.07367	0.7
266.05765	2.2
273.60666	0.6
281.08109	86.7
281.19189	1.6
282.08554	1.2
299.06091	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.05519	0.9
56.96579	2.4
57.07070	1.1
63.16120	0.4
67.05495	1.0
67.23284	0.4
69.03459	0.5
69.07076	0.8
70.06596	0.5
70.58090	1.4
75.70416	0.4
79.05500	8.4
81.07066	2.0
83.05035	0.4
85.02891	0.7
91.05475	0.6
93.07057	1.1
95.04980	1.3
95.08607	1.6
98.96996	0.4
98.97560	2.3
103.05482	5.7
105.07040	100.0
106.07401	0.6
107.08575	0.8
109.10143	1.2
116.98592	0.8
118.06568	1.2
119.04959	0.5
143.87292	0.4
143.89487	0.5
147.04425	0.9
149.02364	4.3
150.02708	3.2
164.27576	0.4
176.14374	5.4
177.00699	0.6
183.59187	0.5
186.16664	0.4
189.00688	0.5
228.12096	0.5
237.02737	0.7
237.08942	0.5
237.12448	0.8
238.02071	0.4
243.74551	0.4
257.06967	0.6
258.13095	0.5
280.20630	89.1
281.08292	0.6
281.20865	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.039
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	16.4
57.07086	5.2
70.06882	2.3
70.07295	1.4
71.95258	2.3
74.93184	1.6
79.05524	0.8
81.07048	0.9
89.08200	0.8
91.05523	0.8
95.08608	1.0
98.21214	2.3
98.97596	100.0
102.96853	2.1
104.99292	8.4
110.97576	20.5
116.98639	51.7
120.97910	1.2
121.02910	1.9
121.84373	0.8
123.41538	0.8
124.95512	0.8
128.98628	20.5
134.99681	19.5
140.00215	4.4
142.96548	2.6
143.00154	1.2
146.99683	12.2
149.01178	2.0
149.02362	38.1
152.00209	2.3
153.00731	2.9
158.01285	2.1
158.99672	28.9
160.97604	3.1
161.01346	0.8
165.00803	1.2
170.99683	12.2
177.00732	40.4
182.99762	1.2
189.00745	24.3
195.01799	2.8
196.95331	1.8
200.02324	6.4
201.00723	5.4
207.01794	12.8
212.02306	2.1
214.96391	1.4
219.01880	4.8
219.03729	0.9
230.03487	1.5
232.92766	1.8
232.96146	2.4
232.99728	1.8
237.02864	7.3
246.40163	0.8
249.02924	1.1
250.97145	2.4
255.03868	3.3
260.04498	1.0
260.95892	1.5
273.91165	1.1
278.96848	2.3
279.03836	5.8
288.92252	1.0
291.92358	1.3
297.04776	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1704
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
55.81862	0.6
57.07083	3.0
64.83986	0.5
69.07066	0.7
69.73769	1.2
69.74185	1.6
72.04527	1.6
81.07024	0.6
86.09712	100.0
87.72297	0.6
91.05501	1.0
93.07068	1.3
98.97598	1.6
103.05478	2.2
105.07074	0.7
107.04993	0.6
114.05537	4.4
120.08114	49.0
121.02890	1.1
124.07595	0.7
132.10225	0.7
136.07587	4.2
138.09134	2.7
147.04439	0.6
149.02359	22.4
153.44907	0.5
154.08653	2.9
158.99733	1.0
166.08656	8.8
177.00745	0.8
180.40704	0.5
229.13420	1.4
233.16449	0.8
279.08728	0.6
279.17062	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	278.1754
Annotation	Huperzine S
Peak:m/z	Relative Intensity
51.99267	2.3
54.52156	2.3
55.05497	9.5
56.96568	5.7
57.03436	8.8
57.07066	6.0
66.31726	2.5
67.05499	9.9
69.03419	2.8
69.07073	3.4
70.67563	4.3
70.67923	6.0
73.51698	2.5
79.05502	6.8
80.05832	2.7
81.07044	10.2
82.07389	2.7
87.04474	21.1
89.44730	2.3
91.05482	6.7
93.07047	9.8
94.06590	13.2
94.07368	3.7
95.08596	7.7
98.97583	5.4
105.07072	3.5
107.08585	6.6
108.08089	3.3
110.10538	2.4
116.98644	2.8
118.06547	2.7
119.08592	6.1
120.08105	6.1
121.10104	4.6
122.09660	5.4
122.10471	3.0
133.27606	2.4
134.09660	7.7
136.11131	4.6
144.08041	3.0
148.07552	5.0
149.02364	25.7
149.08479	3.9
150.09132	7.7
160.08682	2.1
160.11266	3.9
160.78455	2.3
161.08438	2.5
162.09160	16.5
172.02443	2.6
176.10649	11.8
176.30026	2.5
180.10229	4.9
188.10649	9.9
190.08635	6.4
190.12268	21.6
192.13858	4.2
197.00586	3.7
200.10844	2.6
204.13841	4.6
206.11792	31.8
208.13338	7.5
215.01776	2.6
218.11804	21.6
222.14937	9.4
236.12723	14.4
236.17479	3.2
242.15506	6.6
260.16479	29.3
278.17545	100.0
278.22101	11.0
278.24640	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	278.1754
Annotation	8alpha-Hydroxylycothunine
Peak:m/z	Relative Intensity
51.01979	0.6
53.03938	0.6
53.90689	0.5
55.05516	5.9
56.96560	0.6
57.03189	0.7
57.03441	7.7
57.07062	0.7
67.05499	1.9
69.03439	1.6
69.83092	2.7
71.04990	0.6
72.55266	0.5
74.58187	0.6
79.05497	1.6
80.05010	2.0
81.07046	1.8
82.06577	1.6
85.02917	0.6
87.04475	20.5
91.05478	1.9
93.05848	0.8
93.07034	2.2
94.06580	14.5
95.08596	0.9
96.75127	0.5
98.97599	1.9
105.07045	1.6
106.06544	2.3
107.07346	1.7
108.04469	0.8
108.08123	1.1
109.10112	0.6
116.98673	0.8
117.07008	0.9
118.06542	1.2
119.08603	2.6
120.08125	7.3
121.08942	1.0
121.10152	0.7
122.09690	7.9
129.07008	0.7
130.06583	0.6
131.08510	0.7
132.08078	3.1
133.08894	1.2
134.09666	7.3
135.10449	0.7
136.07579	2.8
136.11234	8.3
138.09171	1.3
144.08101	0.7
145.08890	0.9
146.09628	2.2
147.10431	0.8
148.07593	5.2
148.11169	1.7
149.01251	0.7
149.02348	3.7
149.08395	4.8
150.09164	9.1
158.09608	1.5
160.11253	5.7
161.08263	2.6
162.09155	17.5
162.10503	1.1
162.12779	1.5
164.58160	0.5
166.08632	2.0
170.09642	1.3
171.10371	0.8
174.09131	1.9
174.12759	1.5
176.07098	0.7
176.10706	1.3
176.14391	1.7
178.08611	1.2
180.10214	8.7
186.12787	0.9
188.10699	10.8
188.12231	0.9
190.12288	22.4
192.10266	3.4
192.13843	4.2
200.10712	1.5
202.12251	1.6
203.13118	0.7
204.13881	3.8
205.10936	0.6
206.11778	35.7
207.12460	0.9
208.13351	10.2
214.15901	1.2
218.11775	27.1
219.12091	0.6
220.13316	2.4
221.14186	1.5
222.14903	7.9
232.16898	0.6
236.12837	13.9
236.14841	0.5
242.15382	3.7
255.09207	1.1
260.13669	1.2
260.16479	28.9
278.17529	100.0
279.17776	1.2
291.45169	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.0
53.03952	6.2
55.01872	0.9
55.05266	1.0
55.05516	16.9
57.07063	2.6
57.39613	0.6
58.73195	0.6
59.37748	0.7
62.92858	0.6
65.03944	1.5
67.05505	34.9
69.03443	0.8
69.06722	1.1
69.07072	15.5
69.28061	6.3
71.04983	1.9
77.03911	1.5
79.05495	72.6
79.64249	0.7
81.03439	0.8
81.07059	38.9
83.05003	0.8
83.08627	8.5
85.06541	1.5
91.04901	1.4
91.05482	34.8
93.07047	100.0
94.07378	0.7
95.04959	5.7
95.08612	24.2
97.06538	1.8
97.10165	4.3
98.21539	1.4
99.08097	0.8
105.04518	2.1
105.07034	14.1
107.08597	48.5
109.06538	1.6
109.10160	14.2
109.25800	0.6
111.08114	0.8
117.07006	3.4
119.08591	9.5
121.10152	38.9
121.49868	0.6
123.11718	2.8
129.07019	1.5
131.08565	3.9
133.10136	13.1
135.08090	1.0
135.11697	55.9
136.12059	0.8
137.09618	0.9
137.13217	0.6
143.08575	1.3
145.10143	2.8
147.11690	6.1
149.09659	1.3
149.13263	22.5
151.11214	1.0
153.09164	0.9
157.10159	1.6
159.11720	2.5
159.89861	0.7
161.13254	4.4
163.11186	1.1
163.14835	5.6
167.10709	1.1
169.21843	0.7
171.11707	2.1
173.13301	2.1
175.11182	1.8
175.14711	0.8
177.12813	1.5
181.12236	1.7
185.07520	0.6
185.13264	2.1
189.12727	1.0
195.13783	1.4
199.14862	1.4
207.13829	2.7
213.16420	1.7
213.92140	0.7
217.16180	0.7
221.15306	3.1
231.17393	0.8
231.21021	0.7
235.16949	5.0
241.19614	2.4
259.20609	3.9
277.21634	63.8
298.66217	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
53.03946	5.3
55.05513	15.1
57.07073	2.8
67.05178	2.0
67.05511	30.8
69.06776	1.5
69.07072	15.7
69.87300	8.0
71.05009	1.6
77.03926	1.7
78.50218	1.2
79.05498	80.6
81.07063	32.8
83.08639	7.5
83.09061	1.3
83.56769	1.5
85.06493	1.5
91.05490	27.6
93.07050	100.0
95.04955	6.0
95.08614	25.9
97.06518	1.9
97.10180	2.5
101.50807	1.3
105.07048	15.7
107.08605	45.4
109.06448	1.5
109.10156	12.9
117.07008	4.4
119.08569	10.9
121.10150	42.2
123.11713	2.0
129.07048	2.3
130.68738	1.6
131.08589	3.9
133.10118	10.9
135.11697	46.9
143.08549	1.9
145.10114	3.2
147.11667	6.4
149.13271	21.3
159.11717	2.0
161.13255	4.6
163.14818	4.8
171.11742	2.5
173.13263	2.7
175.14777	2.9
185.13214	1.8
193.12198	1.6
195.13879	2.0
213.16382	2.0
221.15398	3.4
235.16927	4.8
255.12843	1.4
259.20673	3.0
277.21634	58.0
290.21066	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
50.21275	1.3
53.03936	5.1
55.01871	2.5
55.05518	17.8
56.96564	3.3
57.07079	10.5
58.07407	3.4
62.63540	1.5
65.03936	2.1
66.85267	1.4
67.05179	2.6
67.05511	38.5
69.03416	4.0
69.07076	14.5
70.06587	6.8
71.04988	3.6
71.06924	4.0
71.08609	5.5
71.09000	1.5
72.08942	2.1
77.03955	1.6
79.05499	73.3
80.05864	1.7
80.82865	1.6
81.03403	2.1
81.07063	39.7
83.04963	1.6
83.08629	9.1
85.06565	2.3
88.07626	5.0
89.07980	3.8
90.08057	1.8
91.05486	28.7
91.08340	1.8
93.07053	100.0
93.34035	1.6
95.04961	7.3
95.08618	28.5
97.06516	2.8
97.10177	4.1
98.97551	2.2
99.08089	2.6
105.07034	18.7
107.04949	2.4
107.08585	46.0
108.09094	2.4
108.93468	1.4
109.06558	2.9
109.10158	13.0
111.08104	2.4
117.07017	3.4
119.08595	14.6
121.10152	43.0
123.04437	3.9
123.08098	2.3
123.11699	5.4
125.09580	2.3
129.07025	3.2
131.08574	5.7
133.10164	15.2
135.08064	3.0
135.11702	39.8
143.08614	1.5
145.10095	5.1
147.11674	9.7
149.09657	1.8
149.13271	20.7
151.03963	3.9
151.07515	1.8
151.11215	2.5
157.10152	3.5
159.11708	2.8
161.13271	6.6
163.11179	3.2
163.14827	5.6
171.11662	2.7
173.13310	3.5
175.14764	2.9
177.12837	2.8
179.03355	1.9
179.06995	1.7
179.14404	2.0
181.12334	1.7
185.13234	2.4
189.12784	2.0
203.14304	2.4
217.19489	2.1
218.44559	1.6
221.08092	8.3
221.15352	2.9
231.21339	1.8
235.16928	5.3
241.19502	3.4
259.20633	6.9
259.27353	3.5
267.09189	1.6
277.08441	4.9
277.14868	2.8
277.18289	2.9
277.21661	67.7
277.28302	97.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03465	1.9
54.49747	0.7
55.01862	1.6
55.05494	1.0
55.97148	0.7
56.05027	0.8
56.96568	3.0
57.03437	0.8
57.07077	1.2
67.05501	1.8
68.05026	3.3
69.03410	1.3
69.04543	1.9
69.69644	4.7
70.06586	2.1
72.08150	3.6
74.02422	1.4
79.05470	1.0
80.05015	1.2
81.03419	1.5
81.07062	1.2
83.04981	1.3
84.04498	5.7
84.08142	2.3
84.96059	1.2
85.02917	1.7
86.09691	1.5
91.05500	4.5
95.04941	1.8
95.06093	0.8
95.08630	1.0
96.04501	1.9
96.06859	1.5
96.08127	1.0
97.02888	2.0
98.97585	2.2
99.04451	1.3
100.03992	1.6
100.07607	1.9
103.05476	1.1
105.03399	4.8
105.07019	3.9
107.04979	2.0
109.02892	0.9
110.97570	1.1
113.03449	1.0
114.05489	1.2
114.10287	4.8
115.05486	1.5
117.03708	3.1
117.05729	0.8
118.06559	1.4
119.01918	1.1
119.04969	5.6
123.04449	5.8
123.05550	1.8
124.03967	2.4
124.07603	1.8
127.03929	1.1
128.06224	0.8
129.07031	1.9
129.10231	1.0
130.03023	0.7
130.05017	2.0
130.06532	30.9
131.12933	0.8
132.04475	6.4
132.08095	1.2
132.95865	0.9
133.02849	2.3
133.06531	1.3
134.06004	0.9
136.07576	2.2
139.03893	2.2
140.05806	1.3
143.07350	1.4
143.08543	0.9
144.06705	1.2
144.08095	6.8
145.07607	1.0
146.06012	22.8
147.04416	27.7
151.03908	9.5
154.06519	4.8
155.06065	8.7
156.06870	1.0
156.08101	3.3
157.06508	0.9
157.07672	1.0
158.05994	4.5
158.09683	1.8
160.07642	3.1
162.05515	1.9
163.03885	1.2
165.05531	1.3
166.06610	1.1
167.07320	1.1
168.06816	1.6
168.08107	4.3
169.07732	1.5
170.06001	2.4
171.09235	3.5
172.06349	1.5
172.07585	25.4
173.07129	2.7
174.05550	2.0
175.03952	1.7
177.20796	0.9
179.03403	1.3
181.07610	9.7
182.06017	2.5
182.08380	5.3
183.06902	0.9
183.07568	1.3
183.09175	14.1
183.10657	1.4
184.06306	12.4
184.07635	11.3
185.07170	3.0
186.09189	6.9
187.08694	4.5
188.07103	2.5
195.09172	2.1
199.08685	50.7
200.07024	1.1
200.09499	1.7
201.10219	6.7
209.07031	1.3
213.05472	2.3
213.10368	1.2
217.09726	2.8
217.13492	1.4
218.11798	1.5
227.08131	5.8
231.06511	1.6
231.11382	3.6
235.17021	2.4
241.05025	3.2
241.09756	3.1
245.09233	100.0
246.09557	1.1
253.03804	1.1
259.02295	1.1
259.06116	4.7
259.10825	32.3
260.13998	2.6
277.00244	0.9
277.07343	5.2
277.11865	47.0
277.16422	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	277.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99839	1.3
69.03424	1.9
69.41115	6.1
69.41528	2.5
70.99844	1.6
71.04977	2.1
77.00909	1.9
80.11346	1.0
81.03403	4.4
82.99844	2.9
85.01358	1.0
85.02890	2.0
97.01357	1.1
99.04455	2.3
100.00088	2.3
101.00888	33.0
101.44867	1.0
109.02900	5.8
113.00863	4.0
115.02445	3.4
118.01131	1.9
118.96182	1.1
119.01936	36.6
127.02411	3.6
129.04002	1.5
131.01917	5.0
133.03487	6.4
135.01425	1.0
137.02965	2.4
138.01660	1.1
139.02426	6.5
141.00349	2.4
141.03989	1.6
142.01080	3.6
143.01918	12.5
145.03481	7.6
147.01453	1.2
149.03024	1.0
156.02695	3.9
157.03488	31.8
159.01357	3.8
159.05061	2.8
160.02197	2.3
161.02974	22.0
166.00998	1.2
167.01884	3.7
169.03432	2.9
171.05023	3.2
173.02985	2.0
175.04552	16.0
183.05019	2.5
184.02153	3.2
185.02986	15.9
187.04517	4.9
189.06030	1.3
199.04530	6.7
201.06029	2.3
203.03998	8.5
217.05666	8.4
227.04033	1.4
235.06717	7.2
235.08725	1.3
245.05084	5.3
253.07654	3.4
259.06595	4.9
277.03024	4.0
277.07672	100.0
278.08017	1.6
295.08777	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45326	1.2
56.96559	4.9
57.03451	1.8
58.79187	1.3
66.30076	1.4
69.03433	4.0
70.06572	1.2
70.61583	2.7
70.99848	2.5
71.05008	2.9
74.00668	2.4
81.03434	7.2
82.99459	1.2
82.99821	5.8
83.01311	1.3
85.02909	4.9
89.00906	2.2
97.01414	1.8
97.02877	3.2
98.20799	1.4
98.21326	1.3
98.97595	5.5
99.04447	3.4
100.00106	3.1
101.00891	44.3
101.01576	2.1
102.00980	1.4
109.02905	8.3
110.97534	1.3
113.00805	2.3
115.02457	5.6
116.98660	2.4
118.01124	2.6
119.01934	51.8
120.01161	4.8
127.02425	3.1
127.03922	1.4
129.03938	1.6
131.01910	7.6
133.01643	1.1
133.03499	12.9
137.02998	6.1
139.02399	6.2
141.00336	2.6
142.01157	1.7
143.01917	19.7
145.01723	2.1
145.03487	10.6
155.01926	1.5
156.02676	4.7
157.03485	43.8
158.99640	1.6
159.01411	8.3
159.05008	1.6
160.02217	3.6
161.02979	37.2
163.04639	1.3
167.01950	4.3
169.03542	3.4
171.05019	3.1
173.02965	2.2
175.04532	22.3
175.05954	1.8
177.00732	1.5
179.03966	1.7
179.55305	2.0
181.03493	1.4
183.05096	3.3
184.02216	2.7
185.02968	17.9
187.04468	5.6
189.06059	2.9
199.04507	8.2
201.05975	5.8
203.04042	13.3
209.03114	1.2
213.06848	2.1
217.05618	5.3
227.04074	1.7
235.06570	3.7
245.05115	6.7
253.07655	2.3
259.06589	5.8
277.07715	100.0
295.08780	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92503	1.7
55.94770	1.8
69.03416	3.0
71.04971	2.6
71.23862	4.3
81.03401	5.6
82.99844	3.5
101.00890	34.7
107.79343	2.5
109.02840	6.3
113.00854	5.6
115.02419	5.3
119.01927	37.2
127.02372	3.5
131.01897	3.9
133.03441	8.4
137.03000	4.6
139.02402	5.3
141.00325	2.6
142.01021	2.8
142.85316	1.9
143.01920	15.4
145.03456	10.7
153.13016	2.3
156.02699	3.5
157.03477	37.6
159.01393	7.1
160.02216	3.1
161.02954	33.7
167.01892	5.8
169.03444	2.8
171.05031	3.0
175.04532	15.2
183.04987	4.9
184.02228	1.9
185.02959	17.9
187.04489	7.5
188.60004	2.5
197.02936	2.9
199.04474	8.4
201.06076	2.7
201.66940	2.2
203.04022	10.9
209.02844	1.9
217.05537	6.5
221.04976	1.9
235.06635	8.9
245.05144	10.2
253.07753	3.5
259.06598	3.9
277.03070	8.2
277.07632	100.0
278.07797	2.2
295.08749	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	9.7
62.00914	5.4
64.60793	4.9
69.03439	5.8
70.44939	16.6
75.61624	4.5
81.03455	4.9
82.99843	7.7
83.14082	4.4
90.22238	4.6
98.97596	28.2
101.00896	50.4
109.02882	5.5
110.97556	7.2
113.00881	5.6
119.01254	5.6
119.01950	47.7
120.01180	8.7
131.01930	5.8
133.03505	11.2
137.02956	5.3
139.02441	5.2
143.01912	24.5
145.03491	8.3
155.01894	4.7
157.03511	38.6
158.99698	6.3
161.02982	53.4
173.03008	5.9
174.43994	4.6
175.04510	15.5
185.02982	14.1
186.72598	4.6
187.04544	7.5
202.69139	5.5
203.04066	8.0
215.04047	6.1
217.05721	7.5
219.01764	5.9
237.02864	12.0
245.05122	22.9
248.07269	5.0
277.03323	8.9
277.07690	100.0
280.94647	5.4
295.08878	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59928	2.6
54.79316	2.8
54.85765	3.2
64.94434	3.1
70.04279	9.4
70.04685	6.5
81.03436	4.2
82.99844	5.5
85.66215	3.0
98.21420	4.5
101.00884	33.3
109.02893	5.1
113.00838	4.4
115.02418	4.2
119.01913	35.6
131.01888	5.9
133.03471	6.6
137.02966	6.1
139.02356	7.0
143.01898	11.9
145.03445	7.6
156.02716	4.9
157.03479	31.9
159.01347	6.6
161.02969	18.6
171.05029	3.4
175.04521	10.5
185.03018	17.4
187.04555	4.1
199.04507	4.0
203.03993	10.9
217.05547	7.0
235.06630	5.9
245.05057	8.1
253.07704	3.6
277.03079	7.0
277.07651	100.0
285.09314	3.4
295.08734	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	277.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78956	7.8
69.45403	31.4
69.45821	28.1
82.99816	9.0
101.00888	39.6
102.50716	7.0
119.01926	29.6
119.68303	9.6
120.53134	7.8
131.01886	7.5
143.01884	29.3
145.03474	10.6
157.03490	31.1
161.02975	56.5
175.04471	18.6
185.03035	10.8
199.04646	9.4
203.04018	10.9
245.05127	13.0
277.03302	41.1
277.07687	100.0
295.08920	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01877	10.6
55.05517	28.2
56.96572	1.1
58.99591	12.2
61.01159	0.6
61.87513	0.3
64.56760	0.3
68.99805	0.4
69.03432	0.4
69.44703	0.3
70.06579	0.5
70.52451	0.6
72.04520	4.8
73.01154	1.6
73.02922	1.8
79.05487	0.5
81.07079	0.5
83.08625	15.7
84.04493	0.5
84.08138	0.6
86.06055	0.5
86.09705	0.7
86.87058	0.3
86.99062	10.2
88.02224	3.9
90.05549	1.2
95.04977	0.3
98.06044	0.3
98.97597	1.1
104.01701	25.5
109.06516	0.3
114.09184	0.6
115.91628	0.3
116.01688	42.2
116.98656	0.5
123.04416	0.3
126.05513	1.0
130.03232	0.5
131.04944	0.6
144.06587	0.6
147.04425	0.8
149.05923	0.4
153.01823	1.1
158.02727	100.0
158.99791	0.3
159.03029	0.4
159.08447	2.1
176.03786	29.0
177.03984	0.3
188.07005	0.4
188.59077	0.3
197.27501	0.3
253.01640	0.3
276.05624	0.6
276.08441	0.4
276.12503	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
54.03501	0.3
55.01875	12.3
55.02148	0.6
55.05516	27.4
56.96575	0.3
57.98822	0.4
58.99589	11.2
61.01152	1.0
61.20699	0.3
67.05484	0.3
69.03437	0.3
69.78781	1.3
71.04658	0.3
72.04520	4.6
73.01146	1.8
73.02918	1.7
79.05503	0.3
81.07063	0.5
83.08624	15.4
84.04511	0.6
86.09712	0.6
86.99058	12.6
88.02216	3.7
90.05547	1.0
95.04966	0.3
95.08592	0.4
97.02818	0.3
98.06078	0.4
98.20786	0.5
98.97581	0.7
102.54878	0.3
104.01699	26.6
107.04861	0.3
109.28387	0.3
116.01685	43.3
116.10766	0.3
116.98627	0.4
123.98392	0.3
126.05533	0.9
130.03287	0.5
147.04414	0.5
151.03920	0.5
155.79596	0.3
158.02725	100.0
159.02946	0.4
159.08376	1.3
173.12888	0.4
176.03781	26.4
177.04100	0.4
181.81470	0.3
195.07764	0.3
258.11761	0.4
258.20544	0.5
276.12552	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11741	1.6
53.03933	2.5
55.01867	2.9
55.05510	4.6
55.14292	1.2
56.05038	19.8
56.96548	1.3
57.98802	1.5
58.99590	20.8
61.01140	2.2
67.05508	20.2
69.07072	11.1
70.06601	7.1
70.79390	2.3
71.04990	2.6
73.01127	3.3
73.21382	1.4
74.00659	3.3
76.02228	10.5
78.63208	1.3
79.05496	11.5
80.05020	1.7
81.07076	8.5
83.08619	4.8
84.08146	1.3
85.01128	2.8
85.06537	2.9
86.00657	26.2
86.99063	15.1
87.02687	4.6
87.04460	3.2
88.02224	3.1
88.03989	5.4
91.05489	14.4
93.07053	28.4
95.08611	11.1
97.01124	27.0
97.06518	5.2
98.97583	3.0
99.02682	2.6
100.02204	1.7
103.05477	3.4
105.00094	5.8
105.07024	2.5
107.04942	2.8
107.08587	7.3
109.06522	1.8
109.10162	15.6
110.09700	1.5
110.97468	1.1
111.08083	3.6
113.00642	1.1
117.07007	2.7
119.04941	6.8
119.08598	6.1
120.01176	1.7
120.08198	1.4
123.02678	2.0
125.04247	2.6
127.05731	2.0
130.08630	11.3
131.04927	1.4
132.01164	23.8
132.99564	3.1
133.10187	1.9
135.08057	8.7
136.11220	2.0
137.09604	8.3
141.07307	3.4
147.04419	24.6
151.05785	6.8
154.12291	21.9
156.61011	1.1
169.05589	1.1
169.06851	5.4
172.13341	12.4
173.11766	2.1
177.07344	4.3
184.11531	2.0
185.06554	1.3
190.12334	2.2
195.08405	12.2
196.13318	1.6
212.11049	30.6
213.09505	7.6
219.86357	1.4
223.07883	3.5
230.12102	24.4
233.41595	1.1
258.11575	20.3
259.09982	13.5
276.05707	3.3
276.12671	100.0
276.15884	4.9
277.13193	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03943	2.3
55.01856	3.3
55.05513	14.7
56.96559	2.2
57.03429	4.4
57.07065	3.8
65.03938	1.7
67.05176	1.5
67.05509	24.0
67.24458	0.9
67.65397	1.0
69.03450	1.0
69.06776	1.1
69.07074	12.1
70.04054	2.0
70.04446	2.9
70.06595	5.9
71.04993	2.4
71.06922	2.0
71.08612	1.6
79.05067	1.9
79.05498	22.9
81.07063	26.7
83.04965	3.3
83.08633	5.1
85.06538	1.3
87.04457	1.4
88.07625	4.3
89.07971	2.4
91.05487	39.6
93.07054	20.8
95.04953	4.6
95.08613	14.1
97.06544	2.8
97.10179	1.5
98.20758	1.3
102.09193	1.8
103.05448	1.6
105.07039	51.9
106.08643	2.6
107.04973	7.2
107.08587	15.4
109.06493	5.8
109.10163	6.7
111.08073	2.0
115.05503	1.8
117.07018	9.6
119.08587	38.1
121.02812	1.3
121.06514	4.3
121.10149	8.8
123.08072	6.1
123.11747	1.4
129.07008	4.2
131.08566	17.8
133.06511	1.4
133.10144	40.6
135.08101	6.7
135.11671	7.2
137.09599	3.5
142.75703	1.2
143.08614	2.5
145.10143	14.5
147.11711	20.3
149.09630	5.8
149.13205	1.4
151.11168	1.9
155.08383	1.2
157.10117	4.4
159.11705	8.8
161.06050	1.4
161.09555	1.7
161.13326	5.6
163.11177	3.5
169.10156	2.3
171.11693	3.7
173.13286	6.4
175.11169	3.5
175.14880	1.7
177.12677	1.3
183.11699	2.9
185.13307	2.7
187.14859	2.2
191.14177	1.2
197.13261	2.4
199.14854	1.2
203.14345	2.2
215.14165	1.4
219.06483	1.4
229.15869	1.5
229.19505	3.3
239.17928	4.9
247.20509	3.4
257.18991	9.3
257.26660	2.4
275.05124	1.8
275.20078	100.0
275.27786	49.5
276.20313	2.0
285.10251	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03946	2.2
55.01867	3.0
55.05518	16.2
57.03437	2.0
57.07083	1.6
60.43412	1.1
65.03931	1.9
67.05173	1.8
67.05510	23.4
67.54638	0.8
69.03429	1.6
69.06718	1.5
69.07068	11.5
70.66373	2.3
70.66739	1.6
71.04998	2.7
79.05061	1.8
79.05498	26.0
81.07060	28.6
83.04981	3.0
83.08607	5.4
85.06557	1.2
91.05485	50.8
93.07050	26.0
94.49855	1.0
95.04974	3.5
95.08610	15.0
97.06530	4.5
97.10179	3.9
99.08094	1.1
103.05431	1.3
105.07036	61.7
107.04984	5.1
107.08595	21.5
109.06522	6.1
109.10165	12.0
109.13426	1.2
109.64104	1.0
111.08149	1.1
115.05441	1.1
117.07028	10.0
118.07720	1.5
119.08587	34.3
119.23488	1.0
121.06509	4.2
121.10150	10.3
122.02722	1.0
123.08070	2.9
123.11726	2.5
125.09650	1.3
128.57895	1.3
129.06996	2.9
131.08575	14.9
133.06561	1.8
133.10136	40.5
135.08029	3.7
135.11687	5.3
137.09601	4.5
141.54381	1.1
142.07811	1.2
143.08595	2.4
145.10127	13.1
147.08066	1.8
147.11693	21.5
149.09637	6.6
149.13351	2.4
151.11143	5.2
155.08481	1.3
157.10150	3.3
159.11702	10.7
161.09621	3.1
161.13293	6.1
163.11197	7.6
165.09152	1.3
165.12758	3.3
169.10150	3.0
171.11716	2.5
173.13286	4.7
175.11131	1.4
177.12740	2.3
183.11653	3.3
185.13245	1.1
187.11212	1.2
187.14777	1.2
189.12717	1.1
191.14313	2.0
193.12097	1.0
197.13284	3.7
197.15833	1.0
203.14284	1.1
211.14877	1.2
215.18033	1.7
224.53906	1.2
229.19482	4.1
239.17943	7.0
247.20613	3.6
257.19058	12.5
275.20081	100.0
292.17630	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03938	2.7
55.01877	7.4
55.05514	27.2
56.47799	1.0
57.03419	1.8
57.07066	1.4
64.33989	1.0
67.05186	2.0
67.05511	32.6
69.03425	1.9
69.06783	1.0
69.07072	12.1
70.06585	1.6
70.66396	3.2
71.04976	3.9
71.27490	1.1
74.63628	1.2
79.05498	44.6
81.03408	1.7
81.07063	29.5
83.04973	2.0
83.08623	7.1
85.06541	2.1
91.05486	44.0
93.06483	1.8
93.07052	24.5
95.04984	5.5
95.08604	15.2
97.06529	3.2
97.10162	3.7
103.05473	1.9
105.04510	1.3
105.07037	65.8
107.04959	24.2
107.08603	27.6
109.06549	2.2
109.10150	14.3
111.08064	2.1
115.05395	1.6
117.07028	14.6
119.08588	39.0
121.06470	2.5
121.10143	10.1
123.11697	3.8
125.09666	7.0
128.06267	1.2
129.06992	3.6
131.08571	17.3
133.06491	1.2
133.10133	40.2
135.08063	4.7
135.11681	4.1
138.88466	1.0
143.08559	2.1
145.10144	14.9
147.11685	22.5
149.09624	38.0
149.13194	1.7
151.11172	1.5
157.10165	4.0
159.11702	9.8
161.09625	1.5
161.13264	7.3
163.11150	2.5
165.09166	1.2
171.11694	2.5
173.11768	2.8
173.13272	6.8
180.50487	1.2
183.11673	2.5
187.11238	2.4
187.13239	1.4
197.13295	2.4
211.15163	1.5
215.18018	1.9
222.09729	1.1
229.19560	6.0
239.17937	4.7
247.20528	2.6
257.18997	13.8
275.20074	100.0
275.27832	6.5
276.20367	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
52.69209	1.1
53.03940	2.8
53.54972	1.1
54.31929	1.0
55.01669	1.1
55.01878	13.6
55.05275	1.3
55.05517	16.8
56.02549	1.0
57.03436	1.2
57.07085	2.1
65.03924	1.9
67.05509	22.2
69.03379	1.2
69.06790	1.1
69.07079	13.9
71.04987	2.8
71.55763	2.0
79.05068	1.5
79.05502	24.7
81.03447	1.5
81.07066	39.1
83.04980	3.6
83.08617	4.8
85.06550	2.0
91.05486	54.6
93.07051	23.4
95.01343	1.5
95.04972	4.7
95.08614	17.7
97.06534	19.8
97.10170	2.5
103.05502	1.4
105.07038	92.7
107.04964	9.4
107.08601	13.1
109.06521	2.6
109.10155	6.9
111.08047	1.4
115.05432	1.5
117.07043	13.0
118.07785	1.2
119.08589	38.9
121.06488	3.0
121.10161	6.4
121.46639	1.0
123.08063	3.0
123.11711	1.1
125.09652	2.2
128.06206	1.2
129.06985	1.8
130.90320	1.3
131.08583	16.5
132.09340	1.3
133.10138	51.6
135.08070	2.3
135.11707	3.3
137.09631	2.5
139.07503	1.6
141.07027	1.4
143.08568	2.4
145.10138	17.8
147.08025	1.3
147.11679	20.6
149.09679	5.9
149.13261	2.3
150.13838	1.1
151.11215	2.2
155.08574	1.9
157.10146	3.3
159.11705	6.9
161.13257	4.5
163.11171	3.7
165.09081	1.9
165.12718	1.4
169.10005	1.5
171.11690	4.3
173.13283	4.6
175.11174	1.8
177.12767	1.6
179.14383	2.4
180.37651	1.1
183.11746	2.6
187.11179	1.6
191.14418	1.1
192.86493	1.1
197.13293	1.4
201.12856	1.2
229.19485	1.8
239.17896	2.2
247.20557	3.8
257.18988	6.4
275.20081	100.0
275.27808	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.45589	1.4
53.03947	4.3
55.01863	4.6
55.05515	16.4
56.96556	2.6
57.03424	3.2
57.07064	3.3
59.16838	1.1
59.42055	1.1
65.03929	2.4
67.05177	1.9
67.05513	31.9
69.03435	1.4
69.07076	12.4
70.06606	1.7
71.04986	4.6
76.82153	1.2
79.05502	34.9
81.03403	4.0
81.07066	72.4
83.04972	4.3
83.08617	5.4
85.06541	2.4
88.07632	1.8
91.05490	41.8
93.07052	28.4
95.04986	6.8
95.08619	20.9
97.06564	5.9
97.10153	1.8
99.08120	2.3
103.05477	1.6
105.07044	48.5
107.04980	13.6
107.08601	22.2
109.06532	23.7
109.10166	6.7
111.08086	2.9
115.05481	1.2
117.07053	9.5
119.08601	36.7
121.06527	7.9
121.10139	12.1
123.08097	5.3
123.11738	3.2
125.09625	1.9
129.07008	3.7
131.08591	16.2
133.06488	1.7
133.10143	27.8
135.08041	7.9
135.11685	4.1
137.09610	4.1
141.75473	1.2
142.07721	1.2
143.08551	2.8
145.10143	13.3
147.08069	2.4
147.11703	18.8
149.09671	8.4
149.13289	4.4
151.11208	3.5
155.08588	2.3
157.10136	3.8
159.07974	1.6
159.11690	10.8
161.09615	3.7
161.13310	5.6
162.45625	1.1
163.11176	5.9
163.14919	1.7
165.12791	2.7
169.10126	1.6
171.11679	3.4
173.13268	5.2
175.11198	4.5
175.14920	1.7
177.12802	2.5
183.11765	3.1
185.13161	1.5
187.11226	2.1
187.77856	1.1
189.12871	1.3
191.14391	1.3
193.12256	3.2
197.13242	2.5
201.12737	2.3
213.16454	1.2
215.17967	2.7
215.99756	1.1
229.19597	3.2
239.17976	4.9
247.20520	6.2
257.19055	8.2
275.20090	100.0
275.27771	18.4
276.20370	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01876	4.5
55.05270	1.0
55.05515	12.9
56.96561	1.0
57.03440	1.2
57.07075	2.2
58.77638	0.7
67.05512	20.1
69.03429	1.3
69.07078	12.1
71.04987	2.8
71.08621	1.1
71.55360	1.1
79.05076	1.0
79.05507	17.3
81.03419	4.7
81.07064	21.2
83.04973	3.2
83.08627	5.5
85.06535	1.7
86.06483	0.8
91.05489	38.5
93.07054	18.2
95.04967	5.9
95.08620	11.3
97.06547	4.6
97.10181	2.2
98.97550	1.3
103.05468	1.9
105.07041	54.4
107.04962	3.3
107.08603	13.8
109.06540	4.3
109.10161	5.8
111.08092	2.5
115.05413	1.0
117.07030	9.6
119.08595	35.0
121.06478	3.9
121.10159	7.0
123.08073	2.7
123.11738	1.9
125.09580	1.2
129.06990	2.8
131.08586	14.1
132.09315	1.0
133.06516	1.3
133.10143	31.0
135.08064	4.1
135.11745	5.1
137.09576	1.8
141.06987	1.3
143.08562	2.7
145.06485	0.9
145.10136	15.6
146.10904	1.1
146.99298	0.8
147.08067	1.7
147.11703	21.4
149.02385	1.9
149.09634	8.1
149.13258	1.9
151.11185	1.1
153.09125	1.2
155.08606	1.9
157.10152	3.4
159.11716	8.9
161.09557	1.6
161.13264	7.5
163.07793	0.9
163.11182	4.6
165.09209	1.0
169.10083	1.8
171.11722	3.5
173.09647	1.2
173.13272	4.5
175.11157	3.0
175.14806	1.5
177.12766	1.2
183.11659	2.5
187.11200	1.4
187.14827	1.6
189.12766	1.3
193.12256	2.7
197.13258	2.6
201.12747	1.3
211.14989	0.9
215.18062	1.6
217.15880	0.7
219.13898	0.9
219.86044	0.8
229.19505	3.0
233.15474	1.2
233.19063	1.8
233.50928	0.8
239.17992	4.2
247.06007	0.8
247.20566	2.9
251.11392	1.3
257.19012	9.9
269.12360	5.1
270.12659	1.5
275.05060	1.2
275.16873	3.5
275.20087	100.0
275.27725	4.6
276.20459	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03940	1.5
55.01881	3.2
55.05269	1.0
55.05516	13.9
56.96564	1.5
57.03424	1.0
57.07062	0.8
62.72791	0.6
65.03945	1.5
67.05180	0.9
67.05510	16.9
69.03439	1.2
69.07075	10.3
71.04980	2.2
71.25011	1.4
72.94215	0.5
79.05069	1.2
79.05502	18.7
81.03416	1.3
81.07065	19.7
83.04987	3.0
83.08627	5.7
85.06512	1.3
88.07677	0.6
90.66851	0.6
91.05491	37.2
93.07052	20.2
95.04963	4.5
95.08617	12.0
97.06535	2.6
97.10156	1.9
98.97594	0.9
103.05435	1.4
104.06313	0.6
105.07037	55.7
106.07359	0.8
107.04967	3.2
107.08604	16.3
109.06514	3.5
109.10154	6.1
111.08078	1.8
115.05492	1.1
117.07027	10.4
119.08591	34.2
121.06533	4.0
121.10159	8.0
123.08056	2.2
123.11691	1.5
125.09600	1.4
129.07007	2.4
130.07822	0.7
131.08580	14.2
132.09373	0.7
133.06497	1.2
133.10141	35.4
135.08037	2.8
135.11731	4.0
137.09592	1.8
141.06944	0.9
143.08556	3.1
145.06557	0.6
145.10130	15.0
147.08055	1.2
147.11691	22.0
149.09644	6.1
149.13263	1.5
151.11165	1.1
155.08560	1.2
157.10162	3.3
159.11720	9.9
161.05927	0.6
161.09572	1.9
161.13261	6.6
163.11185	4.5
165.09164	1.0
169.10120	2.2
171.11707	2.9
173.13252	5.2
175.11235	1.6
175.14810	1.1
177.12787	0.9
183.11732	2.2
185.13249	0.7
187.11243	1.6
187.14844	0.8
189.12729	1.0
191.14336	1.0
193.76114	0.6
197.13286	2.1
199.14937	1.1
201.12779	1.4
211.14906	0.9
215.14282	0.7
215.17982	0.9
219.13771	1.2
229.16060	0.7
229.19548	2.1
233.15387	1.0
239.18028	4.3
247.20584	2.2
250.57970	0.6
257.19055	8.5
275.05179	0.9
275.20074	100.0
275.27908	2.1
276.20392	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	275.2009
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03939	2.1
55.01878	8.0
55.05513	12.7
56.96553	2.0
57.03428	2.7
57.07065	3.3
65.03916	1.5
67.05180	1.2
67.05511	20.8
69.03421	1.8
69.07073	15.1
70.06590	2.4
71.05006	2.6
71.08626	1.4
71.55330	1.2
78.54787	0.9
79.05071	1.3
79.05500	22.2
81.03405	1.5
81.06587	1.8
81.07062	29.9
83.04990	7.9
83.08633	5.0
85.02937	0.9
85.10191	1.2
88.07616	3.0
89.59189	0.9
91.05483	34.9
93.07051	22.1
95.04989	7.0
95.08609	13.8
97.06538	8.8
97.10149	2.1
98.97588	1.1
99.08091	1.3
103.05456	1.0
105.07036	53.0
106.08647	2.3
107.04961	7.2
107.08583	13.1
109.06549	7.8
109.10168	5.5
111.08067	2.2
112.25835	0.9
116.06234	1.0
117.07012	10.3
119.08585	29.3
121.06490	7.8
121.10135	6.9
123.08086	4.5
123.11680	2.7
125.09626	1.2
129.07025	2.8
131.08583	17.3
133.06509	2.0
133.10139	30.2
135.08075	5.5
135.11728	4.7
137.09616	2.6
139.07559	1.2
143.08557	3.7
145.06538	1.4
145.10121	12.3
147.08080	2.4
147.11690	16.1
149.02298	1.1
149.09610	6.3
149.13312	1.7
151.11188	1.1
155.08559	1.8
156.79469	1.0
157.10138	3.7
159.08070	2.0
159.11702	8.7
161.09630	3.2
161.13301	3.8
163.11171	4.8
165.09094	1.4
169.10127	1.3
171.11693	4.0
173.09448	1.6
173.13283	6.0
175.11230	3.0
175.14935	1.4
177.12805	2.4
183.11722	3.0
185.13170	1.4
187.11186	2.0
187.14871	1.3
189.12680	1.2
191.14313	1.7
197.13306	1.5
198.96638	1.1
199.14879	2.1
201.12799	1.5
207.13747	1.1
214.55780	1.1
215.18008	2.3
219.13820	1.5
229.19493	2.6
233.15289	1.4
233.18961	1.2
239.17879	2.8
247.20573	3.6
257.19028	11.8
275.20074	100.0
275.27777	29.7
276.20410	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	275.0916
Annotation	Phloretin
Peak:m/z	Relative Intensity
53.03951	0.7
55.01864	0.2
55.05504	0.5
61.14381	0.2
67.01849	0.3
67.05504	0.7
69.07066	0.4
69.31721	1.3
77.03921	0.2
79.05492	1.5
81.07062	0.7
81.53283	0.1
83.04988	0.3
83.08621	0.2
85.02890	0.4
91.05492	0.9
93.07047	0.6
95.04992	0.7
95.08591	0.6
98.97611	0.2
102.07848	0.2
105.04510	0.4
105.07030	1.4
107.04961	100.0
108.05274	0.7
109.06469	0.2
109.10145	0.4
119.08595	0.8
121.06484	0.4
121.10162	0.2
123.04441	0.5
127.03924	1.0
131.08598	0.4
133.10146	0.9
135.11700	0.2
143.08582	0.2
145.10130	0.6
147.11687	0.8
149.05981	0.8
151.03920	1.8
159.11679	0.2
161.13306	0.2
163.90916	0.1
169.04977	10.5
171.11789	0.2
181.05048	0.2
257.18869	0.2
275.09189	1.7
275.20096	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82886	0.7
56.96566	1.1
69.03423	1.1
70.05606	2.3
70.06019	1.2
73.02937	0.7
78.24319	0.7
81.03386	0.6
84.25974	0.6
85.02879	1.2
95.94106	0.7
97.02879	0.8
98.20723	0.6
98.97588	2.1
101.00883	1.9
119.01901	2.4
120.02017	0.7
122.46801	0.7
124.04826	0.6
127.03861	0.6
131.01947	1.0
143.01888	1.6
144.02058	0.8
145.03497	0.9
155.01892	1.3
161.02917	2.2
173.06624	0.9
185.06554	0.8
191.03714	0.7
194.03307	0.8
203.04012	1.0
221.05151	1.1
226.44421	0.6
254.10970	0.9
275.11038	100.0
276.11487	0.9
293.10577	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0526
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
50.62865	2.1
54.21408	2.3
55.05503	3.0
69.83941	13.1
90.60461	2.4
91.47755	2.8
95.08562	2.9
98.21586	2.9
98.97620	3.0
102.62801	2.5
127.00027	6.2
147.04417	4.5
166.63507	2.2
178.71123	2.2
179.05531	11.8
189.05191	2.4
194.47023	2.4
275.05258	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0916
Annotation	Lecanorin
Peak:m/z	Relative Intensity
53.03947	0.7
66.11062	0.3
67.05503	0.4
68.99797	3.2
69.48991	0.6
69.49398	1.1
70.94136	0.3
79.05496	1.0
81.03434	0.7
81.07076	0.4
83.47542	0.3
85.02887	1.3
87.00845	0.3
91.05485	0.5
93.07050	0.6
95.04990	0.6
98.97591	0.4
99.04417	0.3
107.04965	100.0
108.02402	0.2
108.05257	0.4
109.02891	0.9
109.10263	0.3
111.00813	7.2
119.03001	0.3
119.04927	0.5
121.06520	1.8
127.03927	40.3
128.04266	0.5
130.08659	0.9
141.97784	0.3
147.04424	2.1
149.02339	0.4
149.06003	1.0
151.03900	0.6
169.04980	17.6
172.40672	0.3
181.04958	0.3
191.07039	0.6
231.96133	0.3
275.06390	0.4
275.09146	3.4
275.20224	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99870	4.3
69.03423	3.0
69.48428	2.8
69.48832	8.9
70.06591	3.4
70.99860	10.4
72.08169	2.6
73.02922	1.7
77.00917	6.8
79.08543	2.0
82.99820	7.9
85.02915	2.8
89.00887	9.5
95.01974	1.8
97.02890	3.4
101.00888	73.7
107.01971	1.9
113.00877	3.8
115.02468	5.2
119.01930	82.6
124.02483	1.9
131.01904	9.6
133.03473	1.8
135.01422	6.4
137.02979	4.9
140.08257	1.9
142.03497	3.2
143.01909	100.0
145.03432	3.8
147.01454	1.8
149.89465	1.4
153.02455	1.9
159.01425	9.5
161.02971	79.7
162.03189	2.1
171.01517	1.5
172.99265	2.5
175.00929	3.0
175.95274	1.5
177.02467	21.7
182.03079	3.3
183.55222	1.9
184.04559	3.4
185.02994	1.9
187.00905	6.9
191.00368	16.5
203.04108	2.2
205.01955	9.5
228.03535	4.3
233.01457	2.8
246.04694	4.5
251.02452	2.8
269.03540	2.3
274.04150	3.8
275.10980	3.8
292.05164	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	274.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35860	1.1
55.01877	1.8
57.03436	5.1
58.99869	3.8
61.02927	4.8
63.60573	1.2
64.79194	1.2
65.28835	1.5
69.03438	9.7
69.53616	8.2
69.54037	3.0
70.03774	2.0
70.06590	2.9
70.99854	10.0
71.04996	3.1
73.02931	9.9
77.00922	9.6
81.03433	3.6
82.99824	9.5
84.04487	1.3
84.08135	1.4
85.02918	22.3
86.03254	2.2
86.31726	1.4
88.99674	1.3
89.00896	10.4
93.01006	1.2
94.06575	1.5
95.01955	2.8
97.02917	7.4
98.03256	1.6
98.21501	2.7
99.04461	1.7
101.00892	68.4
102.00944	1.8
103.00641	2.5
103.02411	2.1
105.26664	1.8
107.01979	1.3
109.02880	4.6
113.00880	5.7
115.02420	5.0
119.01935	87.1
120.02024	2.1
121.01620	1.4
124.02479	2.4
127.02464	2.3
127.03946	8.8
128.04231	1.8
131.01904	10.2
132.79526	1.4
133.03445	2.5
135.01472	9.0
137.02977	9.1
142.03506	4.2
143.01912	100.0
144.02007	7.9
144.99896	2.0
145.01678	5.0
145.03488	4.1
145.04939	2.3
147.01463	1.6
147.04405	2.0
153.02449	3.2
155.01901	4.4
156.02045	3.8
159.01384	11.6
159.05008	2.1
161.02975	84.1
162.03094	5.4
163.00917	1.4
163.02649	1.9
167.01938	1.4
168.02129	1.5
171.01459	1.3
172.99306	2.7
173.03006	7.1
174.03113	4.2
174.04555	1.4
175.00903	2.2
175.02811	3.1
175.04410	2.7
177.02464	25.9
182.03099	3.1
183.55121	4.2
184.04550	7.6
185.03035	4.0
186.03188	2.5
187.00916	6.1
187.02654	2.8
187.04514	1.8
189.02582	1.9
191.00368	16.2
192.55644	3.4
202.16379	1.4
203.04033	5.4
204.04199	4.7
205.01970	10.6
205.03705	2.8
213.02513	1.4
228.03629	5.5
233.01460	3.7
233.05000	2.3
245.05017	1.4
246.04706	6.8
247.04617	1.6
256.03149	1.7
263.06213	1.8
264.06366	4.0
265.05829	1.9
269.03549	1.9
274.04193	3.5
274.09195	1.6
290.66400	1.4
292.05365	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	274.041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58277	1.5
56.96556	2.5
57.03434	2.5
57.20584	1.2
58.99859	4.7
62.35139	1.3
69.03429	4.2
69.54142	8.6
70.06578	1.7
70.99871	7.8
73.02915	5.0
77.00913	8.0
81.03413	2.1
82.99836	5.9
85.02905	12.3
89.00883	6.2
95.01978	1.6
97.02886	5.0
98.97554	2.8
101.00894	68.8
104.72849	1.5
107.01942	2.4
109.02881	1.7
113.00867	5.8
115.02438	4.6
117.00327	1.5
119.01936	80.2
120.02003	1.8
124.02441	3.0
127.03896	3.5
131.00276	1.8
131.01942	9.9
133.03441	3.5
135.01396	6.5
137.02943	5.6
142.03503	4.2
143.01912	100.0
144.02104	2.7
145.03442	3.1
147.01358	2.3
153.02460	3.8
155.01898	2.5
156.05081	1.6
159.01419	8.0
161.02969	84.6
162.03078	2.6
163.02753	1.9
173.02902	2.2
174.54578	1.9
175.00874	2.0
177.02473	23.1
182.02963	2.7
183.04965	2.1
184.04619	5.8
185.02994	2.0
187.00951	7.7
191.00340	13.7
195.03522	1.9
204.04169	2.3
205.02025	10.2
205.03708	2.5
210.02414	2.1
228.03627	3.9
233.01431	3.7
246.04756	4.6
251.04485	1.9
263.06058	1.4
264.06180	2.1
274.04095	3.8
274.08987	2.5
292.05258	1.6
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
50.62731	1.3
53.03941	2.2
55.05516	22.2
57.07082	9.0
65.03928	2.3
66.52888	1.3
67.05508	28.5
69.07072	47.9
69.61034	8.3
71.08627	2.2
75.85936	1.6
77.03964	1.7
79.05499	16.0
81.07063	80.3
83.08621	15.6
91.05485	11.7
93.07051	40.7
95.08612	83.2
97.10182	11.1
98.21494	2.1
105.07040	32.4
107.08600	65.2
109.10165	60.7
111.11720	4.4
112.85037	1.6
119.08582	28.5
121.10157	54.7
121.11034	2.6
123.11715	45.5
125.13283	1.9
131.08577	2.8
133.10143	19.1
135.11705	33.7
137.13271	15.2
145.10147	1.6
147.11685	19.7
149.02362	2.3
149.13269	53.5
151.14844	7.7
159.11658	2.8
161.13266	36.7
163.14835	33.0
167.03314	1.8
175.14816	14.9
177.16438	16.0
177.49495	1.5
189.16382	26.4
191.17969	12.7
203.17999	18.1
217.19554	26.1
231.21107	4.9
273.25787	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2578
Annotation	Trixagoene
Peak:m/z	Relative Intensity
50.13097	1.1
53.03939	2.2
54.63542	1.1
55.05514	18.0
57.07078	9.2
65.03929	1.3
67.05174	1.8
67.05507	27.1
69.07072	38.8
70.70071	3.1
71.08615	2.3
79.05495	14.7
81.07061	85.2
83.08620	16.4
91.05479	12.4
93.06476	2.0
93.07048	39.2
95.08611	77.4
97.10162	10.1
105.06393	2.3
105.07038	29.9
107.08595	59.1
109.10162	61.3
111.11703	4.0
117.07026	1.2
119.07790	2.3
119.08584	27.7
121.10145	48.4
123.11713	38.3
125.13282	1.3
129.25916	1.2
131.08585	2.0
133.10130	16.9
135.11697	31.0
137.13271	14.5
137.62352	1.1
147.11690	21.0
149.13260	50.8
151.14790	5.9
159.11700	1.3
161.13255	31.0
163.14830	26.4
163.45207	1.2
165.16365	2.4
173.61314	1.2
175.14836	15.1
177.16408	19.4
189.16388	24.4
191.17938	10.9
203.17981	23.4
217.19516	31.0
231.21103	4.2
273.25778	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2326
Annotation	N-Allylaloperine
Peak:m/z	Relative Intensity
53.66786	1.1
55.05502	4.4
57.07069	2.6
64.45719	1.2
65.03947	9.2
65.06779	1.1
67.05508	8.8
69.06732	1.7
69.07073	20.7
70.02525	4.7
70.06594	1.5
71.08629	1.6
72.35612	1.1
79.05483	4.7
81.07065	11.3
82.06577	1.5
83.08610	3.8
91.05473	4.2
93.03403	6.4
93.07069	10.2
93.47559	1.3
95.08614	27.7
96.08154	1.3
97.10167	1.7
98.09663	1.5
98.21481	1.3
104.03424	1.2
105.07034	7.4
107.08585	14.5
108.08108	2.3
109.07648	19.5
109.10159	11.6
110.08439	1.1
117.06977	2.1
119.08585	6.8
120.08113	1.7
121.07642	1.3
121.09371	1.5
121.10149	10.6
122.08420	3.0
122.09626	2.5
123.08362	1.9
123.09206	30.7
123.11707	4.9
124.09985	3.4
125.10785	2.5
131.08575	2.1
133.10149	3.1
134.09702	1.2
135.09100	1.4
135.11699	4.6
137.10780	1.3
145.10121	2.6
146.09714	1.7
147.04420	1.2
147.11714	2.7
149.02364	4.0
149.10742	1.5
149.13272	11.4
151.03790	1.2
157.10115	2.4
159.11726	1.9
161.02376	3.4
161.13255	2.6
163.12305	1.7
163.14845	2.9
167.03447	5.8
179.01820	2.4
179.03400	44.5
186.12740	1.6
188.14372	3.7
203.18059	1.4
205.17044	2.5
217.08604	16.5
217.17078	2.8
217.19426	2.0
231.18529	2.1
235.09634	11.9
255.63982	1.1
256.20685	3.1
273.07477	1.6
273.14819	15.2
273.19467	4.7
273.23257	100.0
273.25717	6.1
286.58301	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2215
Annotation	androstenone
Peak:m/z	Relative Intensity
53.03930	2.6
55.01851	1.8
55.05502	7.5
56.96558	9.7
57.07059	2.5
66.01671	1.5
67.05504	10.6
69.03474	1.9
69.07070	10.8
70.22723	3.9
70.23106	3.8
71.05000	13.5
71.30600	1.5
79.05478	6.5
80.33817	1.5
81.07060	33.6
83.08619	3.3
85.06531	2.9
91.05466	10.6
93.07042	18.4
95.04974	3.9
95.08608	26.2
105.07030	29.1
105.99918	1.5
107.07958	2.5
107.08606	24.3
109.06525	8.2
109.10158	14.7
111.08075	12.6
111.98177	1.6
113.09644	5.0
117.07008	7.3
119.08587	55.3
121.10144	17.5
123.11712	10.8
131.08566	17.0
131.54506	1.5
133.10123	10.5
135.11664	7.4
137.66080	1.6
141.07060	1.6
142.07779	3.2
143.08591	10.0
144.09352	2.3
145.10136	22.5
147.04407	3.6
147.11711	12.5
149.02296	4.9
149.09616	2.1
149.13274	4.5
153.01822	5.5
153.06764	1.7
156.09306	1.7
157.10121	12.7
159.11699	52.7
161.13277	13.7
163.11234	2.6
163.14851	3.1
167.03380	6.8
171.11693	7.4
173.13269	17.3
175.14825	5.9
177.12727	9.6
179.03410	3.3
179.14275	4.1
184.02948	1.7
185.13313	9.5
187.14806	5.8
187.52603	2.8
189.12874	2.1
189.16374	7.5
195.03877	4.3
196.53229	3.3
199.14832	15.4
203.17889	5.8
204.04379	16.8
204.54472	1.8
213.02893	2.0
213.04916	32.3
213.16422	10.2
213.55026	3.8
215.17967	61.4
215.55170	2.1
217.15886	4.0
222.05450	14.9
222.55707	3.0
224.55673	4.7
227.17966	3.1
229.19554	11.5
241.08087	3.7
250.08578	5.2
255.21080	53.9
273.07532	6.4
273.14670	4.4
273.18835	5.5
273.22116	100.0
274.22552	2.6
274.27386	4.8
291.12714	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	273.1851
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
52.51527	1.1
52.92358	1.1
53.03933	1.9
55.05511	5.2
56.96555	2.6
57.07080	2.3
62.59125	1.4
67.05510	8.0
69.03436	2.1
69.07063	10.6
69.43450	3.3
69.43867	6.4
71.04984	6.1
71.08614	1.2
72.54442	1.2
79.05492	5.6
81.07059	9.8
83.04972	5.2
83.08622	2.7
85.06548	4.2
91.05489	10.5
93.07065	10.1
95.04975	23.0
95.08611	10.1
97.06516	2.4
98.97590	4.6
99.08092	1.5
105.07043	20.4
107.04959	3.3
107.08599	12.3
109.06531	24.2
109.10171	8.9
111.08089	5.0
111.11726	2.5
112.99153	1.8
116.98657	2.6
117.06998	7.5
119.04906	1.6
119.08589	25.7
120.05708	2.3
121.06523	2.8
121.10157	5.2
122.97363	1.2
123.08074	19.0
123.11719	1.8
125.09652	1.9
128.06221	2.1
129.07014	4.5
130.07758	3.6
131.08574	17.4
133.06564	1.4
133.10127	12.4
135.08069	17.8
135.11674	2.3
137.02350	2.0
137.09608	9.1
142.07745	6.7
143.08557	11.1
144.09373	3.8
145.10132	47.1
147.08054	5.8
147.11707	19.0
149.09576	4.0
151.07578	3.5
151.11197	4.4
153.07018	1.9
155.08583	4.3
156.09366	11.3
157.01395	8.2
157.10138	29.3
158.10870	4.2
159.08031	4.7
159.11697	13.0
161.05975	1.6
161.09586	7.7
161.13326	4.4
163.11130	3.4
167.08598	2.2
169.10162	5.6
170.10915	4.0
171.11696	21.9
172.08920	2.2
172.12534	3.3
173.09610	9.2
173.13269	25.4
174.10405	2.8
175.11182	10.6
177.12712	1.9
181.10286	2.4
182.10963	3.4
183.11731	3.9
185.09579	2.1
185.13237	9.1
187.11206	17.5
187.14859	7.6
189.12791	18.4
195.11740	3.7
196.12477	2.7
197.13249	18.0
198.14066	1.5
199.11195	9.3
200.11845	2.2
203.14314	5.2
204.56404	1.4
207.11748	1.9
211.14835	5.5
212.11989	1.4
212.15665	2.9
213.12808	5.6
213.16389	14.3
214.13475	1.9
215.14331	44.2
215.16336	2.8
217.07387	1.5
217.12277	10.6
222.13863	1.6
225.12756	2.1
229.15872	5.1
230.16534	1.6
231.13889	2.0
231.17450	18.8
237.16435	3.9
240.15341	1.8
252.26227	1.4
255.17462	27.3
273.07645	3.3
273.18524	100.0
273.26074	3.0
274.27530	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01869	27.2
55.05491	8.9
56.05045	18.1
58.99584	7.3
61.01123	2.3
67.05479	2.0
68.05026	4.7
69.28293	19.7
72.04527	10.9
73.02905	2.9
74.00672	4.7
76.02225	5.2
79.05500	41.0
79.06239	1.8
80.05006	8.8
81.05788	2.9
81.07066	27.8
82.06593	17.3
84.04124	2.1
84.04519	27.1
85.01134	82.2
86.00662	32.5
86.99059	4.9
88.02200	3.6
90.05563	19.7
92.01736	2.9
93.07040	6.8
93.44978	1.8
94.06568	12.8
95.07334	3.9
95.08624	2.5
96.08138	18.2
97.01103	6.0
97.08916	8.8
98.09703	40.7
98.21497	4.3
100.02200	2.9
102.09074	2.4
104.01701	11.7
105.07012	6.8
106.08828	2.1
108.08136	6.0
109.08879	4.0
110.09679	17.8
111.02646	2.4
113.01660	2.3
113.04235	65.1
116.01689	21.2
122.09669	18.4
123.10441	6.5
126.05522	100.0
127.05070	10.7
131.02760	3.0
139.05823	9.7
144.06570	71.8
145.06097	5.3
151.61983	2.3
156.08435	82.9
158.02728	24.4
170.11778	31.2
173.15645	2.0
176.03790	5.7
185.03798	7.8
190.48856	2.1
191.04840	22.7
196.08084	2.7
203.04889	6.8
222.53506	2.4
255.11667	6.1
256.10040	21.3
259.06039	2.1
273.12683	96.5
273.15686	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1485
Annotation	Lhotzchromene
Peak:m/z	Relative Intensity
51.02374	0.1
53.00284	0.7
53.03939	0.2
55.01874	0.5
55.05512	0.9
57.07075	0.3
65.03945	7.0
67.05509	1.1
69.03436	0.3
69.07073	7.3
72.24963	0.2
79.05503	0.9
81.03433	0.3
81.07059	2.7
83.04996	0.2
83.08634	0.7
91.05493	0.5
93.03412	4.3
93.07053	0.5
95.01344	0.8
95.04963	0.4
95.08605	2.0
98.21615	0.3
99.09062	0.1
99.41128	0.1
102.25636	0.1
103.01832	0.3
105.03362	0.3
105.07007	0.5
107.04968	2.1
107.08608	0.4
109.02871	0.2
109.10156	2.7
111.04425	0.4
111.11711	0.2
117.07021	0.2
119.04939	0.6
121.02876	5.4
121.06492	0.3
121.10120	0.2
123.04433	1.3
123.08099	0.2
123.11716	1.6
128.06180	0.2
129.07019	0.2
131.01299	8.6
133.02779	0.1
133.06497	0.4
135.04393	0.4
135.08083	0.3
135.11665	0.3
137.02345	4.2
137.05905	0.1
137.13264	0.3
142.07700	0.2
143.08548	0.2
145.02838	0.2
147.04399	0.6
147.08029	0.3
149.02350	97.5
150.02739	0.7
151.03908	13.0
161.02354	0.6
161.05984	2.2
161.09633	0.2
163.03915	9.2
163.07527	0.8
165.05496	1.8
167.03409	100.0
168.03780	0.9
168.05031	0.2
169.03860	0.4
170.04179	0.2
171.08034	0.3
175.03934	1.6
175.07582	1.4
177.05472	2.6
179.03404	0.3
179.07098	0.2
181.04930	0.5
189.05482	2.2
189.09103	0.4
190.04994	0.3
191.07040	16.8
193.08488	0.3
195.06519	0.2
203.07056	2.4
203.10744	0.5
205.08598	3.3
209.08086	2.1
213.12682	0.2
217.08630	5.9
217.12193	0.6
231.10097	0.5
231.13814	7.9
245.15424	0.4
273.14859	61.4
274.15201	1.0
274.27478	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72148	2.3
55.05511	4.2
56.96572	25.6
57.07076	3.7
65.03938	9.6
65.16209	2.1
67.05522	4.9
69.07072	8.7
71.55226	3.5
71.55616	2.4
72.01949	2.1
72.92923	1.9
74.49660	1.7
76.92347	2.2
79.05490	3.7
81.07061	6.4
88.07703	1.9
91.05490	9.5
92.71133	2.0
93.03418	3.0
93.07030	3.1
95.04972	4.1
95.08612	2.9
98.97585	2.3
100.30058	2.0
101.60020	2.0
104.97070	3.1
105.07050	9.5
107.04971	3.9
107.08655	2.6
116.98651	2.6
117.07069	2.7
119.04984	4.0
119.08598	3.7
121.02885	3.4
121.06509	2.3
121.10231	2.5
129.02249	2.1
129.06996	2.4
131.01306	4.6
131.08580	4.3
133.00467	6.2
133.06519	6.8
133.13287	2.2
135.08031	3.2
137.02365	8.4
142.01047	6.2
144.03348	4.3
145.10252	2.8
147.02220	2.4
147.04407	5.0
147.08008	2.6
149.02368	81.3
151.02335	2.1
151.03897	2.9
153.01901	4.8
153.51743	2.9
157.10158	3.0
158.03107	6.1
161.06148	2.2
161.09627	6.5
162.96332	2.5
163.02388	5.4
163.03809	5.4
165.01936	3.6
167.01973	5.0
167.03424	100.0
167.08546	2.3
168.01552	4.6
171.01918	2.1
172.02797	11.8
173.52187	2.2
177.02048	20.9
177.05536	2.6
177.52333	2.1
179.03452	11.6
181.03345	6.3
184.02858	4.6
186.02573	90.2
186.52823	3.4
188.52878	5.8
191.07048	4.3
193.03378	6.5
195.03087	29.2
195.08124	2.9
195.53397	2.5
196.04622	16.1
197.53467	10.7
202.03944	4.3
204.04353	2.7
205.05177	65.4
205.06993	4.4
205.55379	6.6
206.53819	2.5
213.05002	10.9
214.05698	46.8
214.55852	8.4
216.56021	22.5
217.06358	3.1
217.08675	8.6
222.05380	5.9
223.06133	22.6
224.55745	5.4
225.56538	11.4
227.07169	2.0
232.07532	18.5
234.57121	4.2
234.99161	5.3
237.07388	3.2
241.08044	19.0
241.58192	3.0
243.58246	3.0
250.08546	10.4
252.58794	5.2
253.00220	3.9
261.59372	4.6
273.07568	7.7
273.14905	75.1
273.18460	14.8
274.27496	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	273.076
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
53.03955	0.3
55.05516	0.3
56.96572	1.0
57.03432	0.5
65.03936	0.5
65.54981	0.2
67.01871	5.0
67.05502	0.5
68.99796	3.3
69.03432	2.3
69.23782	2.4
77.20035	0.2
79.05497	0.5
81.03426	0.6
81.07055	0.6
83.01338	0.5
85.02893	1.2
85.06547	0.3
87.04462	0.6
91.05488	6.7
93.07049	0.5
95.04976	1.5
95.08618	0.4
97.02893	2.8
98.03217	0.4
98.21449	0.5
98.97588	1.5
105.07059	0.5
107.04955	2.7
107.08572	0.5
109.10138	0.3
110.97601	0.3
111.00800	0.7
111.29240	0.2
115.03969	0.2
116.98629	0.3
118.87336	0.2
119.04958	14.3
119.08598	0.4
120.27688	0.2
121.02873	0.8
121.06512	1.0
123.04433	3.5
125.02355	0.5
127.03967	0.3
129.01852	0.5
133.10089	0.2
135.11641	0.3
140.06049	0.2
147.04420	36.9
148.04718	0.3
151.03909	0.6
153.01837	100.0
154.02190	0.8
158.99667	0.4
161.06200	0.3
171.02901	7.9
179.03421	1.3
181.06630	0.4
185.05951	0.3
189.00757	0.3
189.05554	0.5
193.08606	0.5
199.06270	0.3
199.89677	0.2
211.09506	0.4
215.55956	0.9
219.01874	0.3
231.06566	0.7
250.04617	0.2
255.06525	0.7
255.10133	0.5
267.05466	0.7
268.05991	0.5
272.57550	0.7
273.07593	62.0
274.07962	0.8
285.06445	0.7
286.06915	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0761
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.04684	0.2
53.10111	0.2
54.48043	0.2
55.01882	0.5
56.96565	0.7
60.53039	0.2
65.03933	0.6
67.01868	2.5
67.05516	0.4
68.99789	1.7
69.03436	1.6
70.79613	0.5
79.05512	0.3
79.34235	0.2
80.67815	0.2
81.07069	0.4
83.01348	0.3
83.04972	0.3
87.57906	0.2
91.05491	7.4
93.07077	0.6
95.04979	2.1
95.08594	0.3
97.02888	1.2
98.97575	0.4
105.07029	0.3
107.04958	2.6
111.00793	0.4
119.04958	17.8
121.02891	0.3
121.06557	0.6
121.10207	0.4
123.04431	3.9
123.11835	0.2
125.02293	0.3
147.04424	42.2
148.04826	0.2
151.03952	0.9
153.01842	100.0
153.87067	0.2
154.02179	0.9
159.28586	0.2
171.02972	1.7
171.04280	0.3
172.03099	0.2
177.00571	0.3
179.03416	0.5
181.06654	0.3
189.05511	0.8
207.06480	0.3
231.06566	0.6
255.06612	0.6
273.07602	61.2
273.18570	0.6
274.07922	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.076
Annotation	Naringenin chalcone
Peak:m/z	Relative Intensity
51.02386	0.8
55.01868	0.7
55.05519	1.1
56.96573	1.2
57.50364	0.5
65.03939	1.6
67.05511	1.6
69.03432	0.9
69.07079	1.5
70.00414	2.8
72.66342	0.5
79.01864	5.1
79.05493	1.1
81.07064	3.1
83.08625	0.7
91.05490	21.4
93.07051	1.7
95.04980	2.4
95.08601	1.6
97.02900	1.8
98.20766	0.6
105.07034	2.7
107.01327	7.8
107.04973	1.5
107.08620	1.9
109.10168	1.1
111.08097	0.9
112.01600	0.6
117.07053	1.1
119.04957	43.5
119.08604	4.2
121.02825	0.6
121.06507	0.8
121.10152	1.5
123.04432	1.9
123.11734	1.0
125.02362	5.8
129.06940	1.0
131.08569	1.8
132.98903	0.5
133.02884	1.2
133.10115	0.6
135.11766	0.6
143.08546	1.3
145.10144	2.0
147.04422	94.3
147.11731	0.8
148.04730	0.8
149.02350	2.3
153.01842	81.1
157.10078	1.2
159.11723	2.9
161.02328	0.8
167.03413	1.9
171.02928	0.8
171.08072	1.0
173.09613	0.6
173.13316	1.0
175.14851	0.8
179.03421	2.5
181.06540	2.5
184.23955	0.5
185.13341	0.9
199.07564	1.1
199.14911	0.9
203.14357	0.6
204.04439	1.0
209.05986	3.9
213.04930	3.1
213.16434	0.7
215.17999	3.7
217.08464	0.6
222.05392	1.5
227.07063	2.7
231.06436	0.7
237.05478	1.1
241.08102	1.3
250.08551	0.9
252.58939	0.9
255.06531	9.0
255.21159	2.9
258.05215	3.5
259.09137	1.1
273.07593	100.0
273.18594	2.9
273.22202	5.0
274.07803	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.2
56.96567	0.4
57.03435	0.2
63.93956	0.2
65.03945	0.5
67.01534	0.3
67.01873	4.9
67.05495	0.4
68.99792	2.2
69.03439	1.9
69.07066	0.3
69.46317	1.5
79.01853	0.2
79.05502	0.4
81.03430	0.3
81.07063	0.6
83.01344	0.7
85.02896	0.5
91.05492	6.2
93.07037	0.4
95.04983	1.9
95.08639	0.4
97.02900	1.6
98.97614	0.9
105.07034	0.3
107.04961	2.8
107.08553	0.3
109.10150	0.2
110.97540	0.2
111.00822	0.9
111.04412	0.2
116.98703	0.3
119.04960	14.7
119.08591	0.3
121.02885	0.7
121.06499	1.2
121.10139	0.3
123.04444	3.9
125.02353	0.7
127.03912	0.4
129.01837	0.4
129.07074	0.2
129.56631	0.2
133.10101	0.3
135.11760	0.2
143.00188	0.2
145.10201	0.2
147.04428	39.1
148.04816	0.3
151.03905	0.6
153.01845	100.0
154.02191	0.7
157.06480	0.2
161.06026	0.3
161.09636	0.2
167.43527	0.2
171.02913	8.5
175.14769	0.2
179.03433	1.1
181.06526	0.3
185.05975	0.2
189.05449	0.9
196.33183	0.2
209.82928	0.2
231.06552	0.7
255.06543	0.5
267.05502	0.2
273.07599	63.0
273.25800	0.3
274.07916	0.7
286.06802	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0759
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
51.23051	0.5
53.03947	0.9
54.74934	0.5
55.01881	0.9
55.05508	0.7
56.05038	1.3
56.96565	2.0
65.03938	0.6
67.01871	3.5
67.05505	1.5
68.99802	4.6
69.03433	3.1
69.07066	1.3
69.41101	1.4
69.41529	2.7
79.05491	1.8
81.03432	1.2
81.07050	1.4
83.01346	0.7
85.01149	1.3
85.02919	3.3
91.05492	7.5
93.07030	1.0
93.49848	0.5
94.59717	0.6
95.04981	1.8
95.08601	1.5
97.02910	1.6
98.02377	0.5
98.09695	3.1
98.97594	3.7
103.05502	1.1
104.01723	0.6
105.07050	1.4
105.14342	0.5
107.04963	15.4
107.08614	1.2
109.02866	1.3
110.09689	5.4
110.97580	0.5
115.05468	1.7
116.01697	0.5
116.98610	1.1
117.07034	1.9
119.04954	18.3
119.05787	1.3
119.08578	1.0
121.02887	0.7
121.06516	1.0
121.10194	0.9
123.04436	3.5
126.05511	2.0
128.39641	0.6
129.07051	0.7
131.04939	3.2
131.08574	1.2
132.05737	0.6
133.10126	1.3
135.04424	0.9
135.11711	1.2
135.20833	0.6
137.06000	0.8
141.07047	0.9
143.08557	0.6
144.05757	0.6
145.06496	4.4
145.10110	1.3
147.04422	49.0
149.05972	0.9
152.06201	0.7
152.10707	1.1
153.01843	78.8
153.06989	1.4
155.06030	1.5
155.08553	0.7
156.08466	1.8
157.06508	3.1
158.02692	0.8
158.07359	0.6
158.99661	1.0
159.08067	0.8
161.06105	0.9
165.07004	1.7
167.03397	2.0
168.01654	0.5
169.06485	1.0
170.11797	11.3
171.02888	4.1
171.04442	3.9
176.03346	0.7
177.00761	0.7
179.03410	0.8
181.06541	1.3
183.08011	0.9
185.03877	1.4
185.06026	1.1
187.07648	0.7
189.05464	3.5
201.09123	1.3
202.08920	1.4
207.93785	0.6
213.05461	0.6
227.07050	0.9
228.07835	1.8
229.08618	72.5
230.08734	1.7
241.08661	0.7
255.06523	1.3
255.10139	12.8
273.07593	56.3
273.11221	100.0
274.08109	0.6
274.11417	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	Pinobanksin
Peak:m/z	Relative Intensity
50.31649	1.2
50.43758	1.3
51.02391	1.3
55.05505	1.5
55.84620	1.3
56.05052	1.5
56.96574	7.3
57.03445	2.5
67.01864	2.6
67.05500	4.1
68.99805	2.7
69.03434	6.0
69.07063	1.9
70.06615	1.7
70.58340	1.6
70.58692	3.2
71.05014	1.5
73.02927	2.4
79.05503	3.8
81.03436	3.6
81.07073	3.5
83.04990	4.7
84.08179	2.2
84.96043	2.3
85.01079	1.5
85.02921	4.7
86.09718	1.5
91.05494	9.8
93.07060	5.2
95.04999	4.3
95.08621	3.3
97.02906	7.8
97.61986	1.3
98.09710	3.0
98.97586	6.9
103.05491	1.7
105.07040	4.8
107.04977	4.5
107.08607	3.5
109.02934	1.6
109.06571	2.7
110.97606	2.4
111.04449	1.9
111.33852	1.4
116.98652	4.6
117.07002	2.4
119.01870	2.1
119.04967	16.8
119.08599	2.5
120.08192	1.4
121.02909	3.3
121.06551	3.0
121.10207	2.3
123.04446	4.3
127.03934	2.1
128.06311	1.9
128.98630	3.3
129.07018	3.7
131.08578	3.3
132.04253	1.8
133.10138	1.6
135.08034	1.5
137.02412	8.8
137.03331	1.8
137.05997	14.6
138.06302	1.9
143.08650	1.9
145.06358	2.0
146.99722	2.4
147.04422	46.1
149.02361	1.7
149.06000	3.1
151.07567	1.8
153.01843	100.0
153.06998	3.3
154.82886	1.4
157.06499	5.4
157.10138	1.9
158.99750	2.1
161.04524	6.4
161.05858	1.4
163.07596	2.3
170.05005	2.9
170.11732	1.6
170.55185	1.4
171.02939	4.2
171.08087	2.6
174.06799	1.9
175.10825	1.4
181.03360	1.6
181.06546	5.3
189.09190	5.3
195.05130	6.6
199.07628	5.7
213.09039	1.7
219.01805	1.5
227.07135	5.9
241.08563	1.9
255.06656	3.3
255.17377	2.4
273.07620	77.0
273.12454	6.0
273.15396	1.8
273.18723	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
53.03935	0.8
55.05507	0.6
55.89643	0.4
56.05036	0.9
56.96558	1.1
65.00474	0.5
67.01871	2.4
67.05506	1.1
68.99786	2.2
69.03422	1.7
69.07054	0.4
70.67464	0.5
70.67786	0.6
79.05494	1.8
81.07035	0.6
83.04961	0.4
85.01142	0.7
91.05489	8.0
93.07015	0.5
95.04958	2.3
95.08599	1.2
97.02889	1.1
97.06511	0.5
98.09695	1.9
98.97575	1.2
103.05470	2.2
104.05827	0.7
105.07024	1.1
107.04953	3.4
107.08572	0.7
110.09766	0.5
111.00771	0.8
111.04349	0.5
116.98646	0.4
117.06956	0.4
119.04946	16.7
119.08626	0.5
121.02862	0.4
121.06522	1.2
121.10161	0.8
123.04440	4.1
126.05493	0.5
131.04959	0.5
131.08540	0.4
147.04416	43.4
148.04816	0.7
148.11786	0.4
149.05998	0.9
151.03908	0.5
151.07536	0.6
152.06253	0.8
153.01833	100.0
153.06992	1.8
154.02173	0.5
156.08408	1.2
158.02751	1.0
159.09155	1.3
170.06035	0.5
170.11752	1.2
171.02888	3.6
177.02237	0.6
178.02667	0.5
179.03401	1.0
181.06648	1.9
185.07118	1.0
189.05571	0.7
200.06989	0.4
209.06012	0.6
213.09117	1.3
227.08221	1.1
231.06558	0.5
241.08609	0.9
245.09242	0.9
255.06584	1.1
273.07578	74.7
273.12506	2.9
274.07797	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1131
Annotation	(S)-Tetraphyllin A
Peak:m/z	Relative Intensity
52.55426	0.5
55.01875	0.6
55.05518	0.6
56.96559	1.9
57.03438	1.6
61.02918	2.6
65.03948	6.8
67.05495	0.5
67.48472	0.5
69.03428	3.9
69.93500	1.9
69.93906	1.0
70.06599	0.8
73.02917	1.9
80.05024	1.5
81.03427	1.8
81.07058	0.9
82.97207	0.5
83.06106	0.5
84.08137	0.6
84.99603	0.5
85.02914	9.8
86.09703	1.0
87.04466	0.9
88.53603	0.6
92.05011	64.4
93.05789	5.5
94.06583	9.7
95.06122	1.6
97.02885	3.5
98.20679	0.5
98.97601	1.8
99.01089	0.5
99.04488	0.8
101.00907	1.0
103.00663	0.9
108.79918	0.6
109.02879	1.5
110.06051	100.0
110.07135	9.1
111.06367	0.6
117.02191	0.7
119.01942	1.3
120.02015	0.5
121.01678	1.1
124.03954	0.6
127.03936	2.1
131.05542	0.7
133.03471	0.9
143.01915	0.6
145.03493	1.4
145.05048	0.6
146.03773	0.5
149.06616	0.7
152.07071	3.2
153.05824	3.4
153.07381	0.6
156.07640	0.8
161.03061	0.5
161.06598	1.0
162.06322	1.1
163.04491	1.0
163.12337	1.0
176.07205	0.7
177.00787	0.9
185.06599	0.6
203.07588	0.6
206.02373	0.6
208.14580	1.0
212.09317	0.5
217.00208	0.6
226.15515	1.8
227.04214	1.0
227.08673	1.1
230.05066	0.6
245.05357	1.2
254.10294	2.9
254.14998	1.6
272.06604	1.5
272.11337	28.4
272.15829	7.6
273.09299	1.6
290.07538	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
55.05504	0.6
56.05041	0.5
56.16260	0.3
56.96298	0.6
56.96570	11.4
57.03425	1.1
69.03420	1.0
69.44762	2.4
70.06596	3.3
71.95255	0.6
72.08167	0.5
73.02930	1.3
78.03467	0.8
78.84157	0.3
79.05491	0.4
80.05025	3.3
81.03423	0.5
81.04517	0.3
81.07051	1.4
83.06100	1.2
84.08162	1.0
84.96023	1.1
85.02917	2.0
86.09711	0.5
92.05010	2.0
93.04548	0.6
95.06087	2.3
96.04499	2.4
96.05018	0.3
97.02897	0.9
98.97590	42.8
102.05586	0.3
106.02928	3.7
110.01245	0.4
110.06056	4.1
110.07171	10.2
110.97572	1.0
111.05585	0.5
111.61061	0.3
112.08723	0.5
116.07087	0.6
116.98634	18.6
119.01806	0.8
123.04443	0.4
124.03962	100.0
124.99132	0.8
125.04302	0.6
126.82351	0.3
127.08674	0.6
128.98630	0.8
131.78876	0.3
134.09689	0.5
134.99672	6.4
138.92772	0.3
140.00241	0.5
140.03445	0.9
140.08199	5.2
140.98627	0.6
142.50989	0.3
143.00172	2.4
152.02258	0.3
152.07143	0.6
156.07712	1.4
158.99660	9.7
161.01256	2.1
162.99127	0.7
163.12317	0.7
170.99547	0.4
172.29503	0.3
174.99094	1.7
177.00723	9.3
182.03375	0.6
190.98872	0.4
191.03917	1.1
193.00275	0.9
196.06020	0.5
200.02365	0.5
200.04390	0.5
201.00751	0.4
205.00246	0.6
208.14513	1.1
220.97775	0.3
220.99799	1.4
223.01358	0.6
226.07033	0.4
226.15544	1.9
237.02791	0.5
239.00594	1.7
248.99188	2.0
254.06725	0.7
254.14900	1.8
267.00247	7.9
272.07727	15.8
272.16019	9.2
285.01392	2.5
290.01886	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	12.0
56.09686	1.6
56.96571	1.5
57.07073	4.8
59.14812	1.4
62.91913	1.4
67.05509	18.7
69.07072	20.1
71.08975	1.9
71.09278	2.0
79.05485	6.8
81.07065	31.5
83.08624	9.5
91.05481	10.4
93.07042	15.9
95.08614	29.7
97.10155	4.6
104.10756	4.2
105.07047	20.1
107.08610	22.1
109.06544	2.4
109.10173	24.8
111.11704	2.3
117.07029	2.9
119.08588	22.5
121.06509	3.2
121.10146	20.2
123.11713	13.2
131.08568	5.3
133.06508	4.0
133.10135	18.4
135.11716	12.0
137.02359	13.2
137.05975	2.5
137.13295	3.4
144.09377	1.8
145.10168	14.2
147.03160	1.8
147.11711	18.3
149.02318	3.0
149.13257	12.6
149.54890	4.7
151.03949	1.7
156.03650	1.8
156.97458	2.9
159.11705	16.5
161.05988	7.3
161.13271	18.6
163.03947	2.4
163.14874	7.4
165.86134	1.7
166.07317	1.6
167.03407	2.9
171.11736	2.0
173.13274	9.7
175.14828	14.7
177.16310	2.9
185.13152	2.2
187.14806	11.1
189.16389	8.6
201.16359	13.6
213.00197	1.8
213.16518	1.9
215.17964	19.3
229.07509	3.2
229.19492	3.8
271.06024	18.6
271.09644	15.1
271.13559	4.8
271.24240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2421
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05515	8.7
57.07075	2.5
65.03932	1.1
67.05511	13.2
69.06737	1.3
69.07078	18.2
70.99229	2.5
70.99634	1.0
77.96735	1.0
78.35727	1.0
79.05495	7.3
79.31593	1.1
81.07063	29.4
83.08617	6.1
91.05473	7.2
93.07055	14.7
95.08057	2.0
95.08616	29.4
97.10168	3.7
105.07034	20.0
107.04951	1.2
107.08604	20.9
107.25481	1.1
109.10165	23.8
117.07004	4.0
119.08593	25.3
121.10149	16.0
123.11723	14.0
131.08594	8.8
133.10133	17.5
135.11711	13.4
137.13264	3.1
137.27632	1.2
143.08540	1.2
145.10120	16.3
147.11699	27.2
149.02374	4.9
149.13290	13.2
151.03908	1.2
156.28734	1.0
157.10139	1.7
158.10942	1.4
159.11699	14.7
161.13251	16.4
163.14853	9.2
167.03394	6.1
168.03838	1.4
169.03857	1.4
173.13272	10.9
175.14844	13.2
177.16414	2.2
187.14836	11.2
189.16391	13.6
201.16386	13.9
203.17931	2.2
213.16438	1.6
215.17958	18.6
216.18613	1.3
229.19476	4.3
271.05994	6.1
271.10364	1.5
271.13293	4.2
271.24234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.2
57.07060	3.8
57.68665	1.1
58.95152	1.1
67.05225	1.2
67.05514	13.1
68.94857	1.0
69.07080	17.1
70.93921	1.7
70.94267	2.5
71.08623	1.2
72.46467	1.0
79.05508	8.6
81.07069	31.7
83.08607	4.3
91.05490	8.6
93.07054	17.6
95.08617	33.1
97.10172	2.6
105.07030	18.1
107.08604	22.4
109.09477	1.8
109.10166	21.4
117.07034	3.1
119.08595	21.4
121.10155	18.2
123.04420	1.6
123.11702	11.0
129.07166	1.2
131.08565	8.0
133.10153	15.3
135.11707	9.9
137.13242	2.6
144.09450	1.3
145.10155	12.8
146.18831	1.1
147.11708	15.5
149.13274	12.6
153.01846	1.5
157.10143	1.6
159.11717	15.2
160.12534	1.0
161.13281	18.2
163.14847	9.4
167.03444	2.4
173.13264	11.6
175.14848	12.9
177.16359	3.8
187.14861	10.0
189.16441	7.8
201.16428	15.3
215.17963	13.8
229.19537	4.4
233.08165	1.2
271.06036	10.0
271.09082	2.2
271.13168	1.7
271.24237	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60457	1.3
52.10574	1.8
55.01870	1.6
55.05515	38.6
56.96558	3.6
57.03430	2.6
57.07078	10.8
65.03939	1.6
67.01864	1.7
67.05508	27.9
69.03423	2.4
69.07073	53.4
70.43908	6.1
71.04987	2.9
71.08625	3.5
79.05498	14.6
81.07062	53.8
83.04990	2.9
83.08627	36.4
85.06531	4.2
91.05499	10.6
93.07047	20.8
94.85490	1.5
95.04970	3.5
95.08613	41.7
97.06542	7.6
97.10177	31.8
98.21481	1.7
98.97588	4.8
99.08090	3.7
105.07042	14.3
106.50603	1.3
107.08591	17.0
108.86581	1.4
109.10155	23.4
111.08087	4.0
111.11727	14.4
112.07619	12.2
113.09624	3.0
117.07082	2.3
119.04928	6.3
119.08605	12.6
121.02855	2.4
121.10143	19.5
123.08051	2.5
123.11692	9.6
125.09646	3.0
125.13244	3.1
125.40347	1.7
131.03568	1.3
131.08560	3.1
133.09433	1.4
133.10155	15.5
135.07977	1.3
135.11714	14.6
137.02350	1.8
137.05992	3.1
137.09593	4.7
137.13261	4.6
139.11171	6.7
143.08556	1.8
147.11699	8.9
147.71581	1.5
149.02313	2.4
149.13353	3.5
151.11172	8.3
151.14801	3.6
152.96484	3.5
153.01884	10.9
153.12764	5.2
159.08153	1.5
159.11734	1.9
161.06018	2.0
161.13283	10.8
163.03958	2.7
163.14917	2.0
165.06949	2.0
165.12720	4.2
167.03375	2.4
170.97583	3.6
175.14832	4.4
179.14265	3.7
193.19566	2.2
217.19563	24.6
229.04997	1.8
229.19550	1.6
235.20515	15.5
243.06596	2.1
253.21678	5.6
254.15764	6.4
271.06030	100.0
271.09174	6.6
271.20584	1.8
271.24207	3.6
272.06195	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56550	3.9
55.05523	22.4
57.07077	58.9
63.85088	3.7
66.18817	4.3
67.05515	39.2
69.07074	38.8
71.08641	61.4
79.05490	7.9
81.07065	56.9
83.08602	14.5
91.05495	5.4
93.07035	9.8
95.08617	100.0
96.35966	4.1
97.10163	18.4
99.33336	3.6
100.48636	4.4
107.08575	4.0
109.10172	42.6
111.11703	15.7
121.10123	7.5
123.11741	25.8
127.03936	6.0
130.51123	3.8
137.13278	10.9
139.22656	3.8
147.11636	5.1
151.03864	4.8
159.14938	4.8
193.19563	25.4
211.20599	31.1
251.24181	4.6
271.06058	22.0
271.08994	4.2
271.18674	7.2
271.24490	8.8
271.28094	15.7
287.62186	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	271.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91657	3.0
53.03959	3.4
55.03183	3.8
55.05511	17.0
57.07072	9.8
67.05511	38.5
69.07076	35.0
69.25000	32.0
71.08638	9.3
81.07058	57.2
83.08624	19.5
93.07084	6.0
95.08617	100.0
97.10183	21.2
99.26097	3.4
109.10152	44.7
111.11732	22.2
123.11699	20.1
137.13245	14.6
193.19536	22.1
211.20581	38.7
251.56834	3.5
271.05920	7.4
290.75897	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	271.227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88519	2.2
55.05511	18.2
56.96572	5.5
57.07067	7.8
61.41652	2.1
65.03942	4.1
67.05181	2.7
67.05514	38.6
68.89220	2.0
69.07079	32.5
69.60306	2.3
70.69419	6.0
70.69762	4.0
71.08620	2.5
79.05487	10.0
80.80968	2.2
81.07063	50.7
83.01369	3.7
83.08618	18.9
89.81833	2.3
91.05482	16.2
93.07037	7.5
95.04930	2.5
95.08616	100.0
97.10178	19.0
104.57820	2.4
105.07011	3.7
107.04964	78.2
107.08579	5.1
109.09466	3.2
109.10164	39.7
111.11721	20.4
112.53871	2.0
115.05506	3.2
119.04940	7.2
119.08553	4.8
121.10112	3.3
123.04411	2.8
123.11727	25.4
125.13237	2.9
131.08583	2.6
133.10103	7.3
137.02362	2.4
137.13274	13.7
147.04405	29.2
147.11765	2.9
149.02353	5.4
151.03911	6.1
161.06006	5.4
161.13324	2.1
165.05490	46.8
167.03456	5.8
177.05489	6.5
189.03613	2.1
189.16350	2.6
193.19536	19.2
211.20570	33.6
219.04982	2.4
229.15909	2.3
252.03122	2.5
271.05981	19.8
271.09616	9.8
271.13248	9.7
271.24301	5.2
278.42209	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	13.9
55.34005	1.5
57.07070	7.6
67.05510	33.8
69.06727	2.0
69.07076	31.2
69.57880	11.0
69.93263	1.4
71.08626	4.8
72.08949	1.7
79.05479	5.5
80.99092	1.5
81.06587	2.8
81.07062	50.3
83.08629	15.5
85.06523	1.8
91.05472	4.9
93.07037	5.3
95.08612	100.0
96.25594	1.5
97.10180	19.3
105.07037	2.3
107.08597	3.5
109.06458	1.6
109.09467	2.7
109.10166	36.7
111.11717	13.7
119.08601	4.3
121.10154	1.8
123.11717	14.9
125.25853	1.4
137.13242	12.0
143.08476	1.6
147.11627	1.6
174.66098	1.6
192.63345	1.6
193.19537	19.1
211.20575	28.5
217.19478	3.7
271.05975	5.3
271.24194	3.1
271.28268	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	271.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	15.7
57.07086	15.0
61.09649	1.6
67.05511	40.7
67.47018	2.1
69.06721	2.8
69.07079	32.2
69.87918	9.0
71.08637	10.1
79.05481	4.5
81.07063	51.8
83.08631	15.8
85.06543	3.3
91.05493	5.8
93.07054	5.8
95.08618	100.0
97.10175	18.5
105.07072	4.6
107.08612	2.8
109.10169	42.2
111.11726	13.8
119.08578	4.7
121.10154	2.6
123.11729	22.0
123.44564	1.9
127.03972	2.5
133.10144	4.5
137.13263	13.0
142.27989	2.0
149.13312	2.5
159.14903	2.3
161.13322	1.9
187.66411	1.8
193.19540	17.2
211.20605	30.2
217.19440	3.1
271.05942	3.2
271.24338	5.1
271.28171	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	271.1444
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
55.05507	1.4
55.76093	1.0
57.07073	1.4
61.35176	0.9
61.42165	0.9
64.30180	0.9
67.05502	2.8
69.07043	1.3
71.15794	2.3
79.05504	1.7
81.07072	2.1
83.08615	1.1
91.05466	1.9
93.07027	1.4
94.06574	1.7
95.08633	2.2
96.08116	2.8
98.97578	1.0
105.07009	1.1
106.06515	1.3
107.08690	1.0
108.08137	5.8
109.06452	1.2
109.10119	1.3
112.07577	1.0
119.04891	1.7
119.08597	1.7
120.08120	1.0
121.10145	1.1
122.09651	1.2
124.07494	0.9
128.06253	1.0
129.06946	1.3
131.08601	1.5
134.06030	1.7
134.95479	1.1
137.05989	2.4
152.96500	1.4
153.01860	1.9
156.08058	1.5
158.09633	1.6
159.09200	1.4
168.08098	5.5
169.08867	3.1
171.11723	1.1
181.10199	1.7
182.09682	4.3
183.10478	8.5
185.10773	1.3
186.05569	1.0
186.11562	1.3
196.07555	2.8
197.08255	5.0
198.12807	7.7
199.08713	6.7
210.09198	1.9
211.09909	9.6
212.09480	2.4
213.10268	10.8
213.33829	1.1
214.10992	2.2
215.15422	4.6
226.12331	22.5
227.08286	1.9
227.11801	23.0
228.12596	23.6
233.08078	2.0
241.09781	2.4
241.13303	1.5
242.10239	1.3
243.14944	18.0
253.13304	3.1
254.11716	1.3
254.24802	1.4
255.11293	35.6
256.12070	40.5
269.12906	1.9
271.06082	20.7
271.14444	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1329
Annotation	9,10-Dihydro-3,4,7-trimethoxyphenanthrene
Peak:m/z	Relative Intensity
50.01597	0.1
50.93472	0.1
51.02394	0.3
52.03181	0.1
53.00318	0.2
53.03955	0.5
55.01876	0.7
55.05515	0.2
65.03943	0.6
67.01891	0.1
67.05513	0.4
68.99812	0.1
69.03435	0.5
69.07072	0.4
69.52774	0.7
77.03915	0.2
79.01861	1.5
79.05051	0.2
79.05497	2.6
80.02647	0.1
81.03415	0.8
81.07066	0.5
83.01325	0.2
91.05486	14.1
93.03398	0.3
93.07050	2.7
95.01332	0.6
95.04985	0.5
95.08633	0.2
98.20758	0.2
103.05468	0.9
105.03410	0.4
105.07036	1.1
107.01321	1.6
107.04956	3.0
107.08598	0.2
109.02867	0.2
109.06499	0.7
109.10161	0.2
115.05450	3.4
116.06246	4.0
117.07021	2.5
118.04190	0.1
119.04959	1.5
119.05859	0.2
119.06057	0.2
119.08585	5.5
120.05743	0.2
121.02864	0.2
121.06528	0.4
127.05521	0.1
128.06230	6.3
129.07010	3.6
130.07779	0.1
131.04935	1.1
131.08574	11.4
132.05721	0.5
133.02856	0.2
133.06503	0.8
133.10124	0.1
135.04428	0.9
135.08109	0.2
137.02319	0.4
137.05956	0.2
141.01813	0.2
141.06998	4.6
142.07784	0.4
143.06088	0.1
143.08560	1.2
144.05705	4.3
145.02855	0.3
145.06493	2.9
145.10194	0.2
147.04388	0.6
147.08057	2.4
149.02353	0.6
150.02708	0.1
151.02853	0.1
151.03935	0.4
153.01839	0.2
153.05490	0.8
153.06953	0.2
155.06020	0.6
155.08595	0.2
157.06511	0.2
157.10075	0.1
158.03632	0.1
158.07266	0.5
159.04436	1.9
159.08061	11.3
161.02371	0.3
161.06003	0.4
163.03925	0.2
163.07524	0.2
165.05458	0.1
165.06931	0.1
167.03369	0.6
168.03751	0.3
169.04013	0.2
169.06461	2.7
169.07672	0.4
171.04436	0.1
171.08086	1.0
172.05176	1.7
173.02380	0.3
173.05997	2.0
173.09624	0.2
175.03908	0.4
177.05481	0.2
179.03418	0.7
185.06036	0.3
186.30042	0.1
187.04140	0.5
187.07552	21.3
188.07938	0.2
191.03423	0.3
191.06964	0.2
193.05112	0.1
197.05957	1.5
199.07533	0.2
200.04674	0.7
201.09140	0.1
203.07059	0.4
205.04907	0.1
205.08617	1.8
211.53496	0.1
213.09131	0.3
213.12825	0.1
215.07033	15.2
216.07483	0.1
217.08649	0.3
218.05869	0.1
219.06593	0.2
229.08607	1.6
229.12308	0.4
231.10156	0.1
233.08092	58.6
234.08412	0.6
235.08617	0.1
253.12105	0.5
256.09720	0.4
271.13290	100.0
272.13669	1.1
289.14310	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.133
Annotation	9,10-Dihydro-3,4,7-trimethoxyphenanthrene
Peak:m/z	Relative Intensity
50.01607	0.1
51.02388	0.4
53.03949	0.6
53.51503	0.1
55.01881	0.8
55.05514	0.3
57.03436	0.1
58.29380	0.1
59.18060	0.1
63.02400	0.1
63.48474	0.1
65.03944	0.8
67.01888	0.2
67.05510	0.4
68.99785	0.3
69.03433	0.5
69.07076	0.3
70.45499	0.2
70.45826	0.1
77.03956	0.2
79.01858	1.3
79.05501	2.3
80.02643	0.1
81.03416	0.6
81.07068	0.4
83.01353	0.2
83.04996	0.2
91.05490	13.6
93.03421	0.3
93.07052	2.5
95.01331	0.4
95.04983	0.4
95.08624	0.3
96.09122	0.1
102.80220	0.1
103.05476	1.0
105.03393	0.4
105.07038	1.5
107.01322	1.5
107.04956	2.9
107.08618	0.2
109.02893	0.3
109.06534	0.7
109.44826	0.1
115.05466	3.4
115.06283	0.2
116.06250	3.6
117.07029	2.4
119.04953	1.6
119.06110	0.2
119.08591	4.8
120.05775	0.2
121.02819	0.2
121.06483	0.3
123.08054	0.2
127.05476	0.1
128.06236	6.5
129.07021	3.2
129.08012	0.1
130.07758	0.2
131.04935	1.4
131.08580	10.2
132.05701	0.3
133.02849	0.2
133.06519	0.9
133.10120	0.1
135.04440	1.0
135.08076	0.2
137.02390	0.3
141.01909	0.2
141.07001	4.4
142.07777	0.3
143.04941	0.1
143.08568	1.3
144.05719	4.3
145.02855	0.2
145.06493	2.8
145.10152	0.3
146.05005	0.1
147.04404	0.7
147.08047	2.2
149.02361	0.4
151.02754	0.2
151.03889	0.3
152.06216	0.2
153.05486	0.6
153.06909	0.2
155.06097	0.4
155.08572	0.3
157.06554	0.2
157.10182	0.1
158.03606	0.1
158.07310	0.4
159.04451	2.2
159.08067	10.4
160.08627	0.1
161.02391	0.5
161.06017	0.5
163.07602	0.1
167.03397	0.5
167.08531	0.1
168.03743	0.2
169.03926	0.1
169.06454	2.6
169.07654	0.4
169.09927	0.1
171.08047	1.0
171.11710	0.2
172.05170	1.5
172.06522	0.1
173.02423	0.3
173.05998	1.6
173.09660	0.2
175.03925	0.4
177.05481	0.3
179.03357	0.8
185.06032	0.4
185.09662	0.2
187.04190	0.6
187.07561	20.3
188.07988	0.2
189.05484	0.1
191.03429	0.3
191.07034	0.2
195.11665	0.1
197.05978	1.7
199.07541	0.1
200.04730	0.8
201.05505	0.1
201.09135	0.3
203.06982	0.2
205.08649	1.6
211.07500	0.2
213.09084	0.3
215.07042	14.5
217.08632	0.2
228.11377	0.1
229.08652	1.6
229.12245	0.4
233.08102	57.3
234.08382	0.6
235.08583	0.1
253.12271	0.3
256.09741	0.4
271.13303	100.0
272.13635	1.4
289.14444	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.079
Annotation	Micrandrol C
Peak:m/z	Relative Intensity
55.05516	2.9
55.66011	2.7
56.96591	3.1
64.05072	2.2
67.05489	2.6
68.99798	2.5
70.47204	7.8
72.08184	2.7
74.83115	2.1
79.05515	2.4
81.07080	4.2
82.27395	2.4
83.01131	3.6
84.08160	4.0
84.37482	2.3
86.09744	3.6
87.38580	2.0
91.05485	4.1
93.07108	3.3
95.05009	2.6
97.51256	2.3
98.97591	3.6
103.05467	2.2
105.06989	3.5
107.05035	2.6
127.00037	31.7
130.38699	2.0
132.30197	2.2
134.06068	3.0
138.98524	3.3
139.03926	2.5
149.05751	5.5
167.06813	18.4
175.78236	2.1
181.08397	4.8
193.08539	2.5
197.06152	4.7
208.19316	2.2
209.07938	8.4
209.41760	2.2
211.22415	2.1
215.07245	2.9
225.05544	2.7
225.07388	15.0
227.09016	3.3
243.06606	3.7
255.57663	2.3
271.08038	100.0
271.10806	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	271.0967
Annotation	2',4'-DIHYDROXY-4-METHOXYCHALCONE
Peak:m/z	Relative Intensity
54.89595	0.6
56.78338	0.7
68.99797	1.0
70.78542	1.8
81.03435	6.1
91.05484	1.9
95.04976	1.9
96.78156	0.7
103.05508	1.7
105.07018	1.2
109.06540	1.0
117.03398	2.5
118.04182	2.3
119.04996	3.8
121.06492	1.1
127.03917	1.1
133.06508	16.3
133.07535	0.6
135.04419	0.7
135.45555	0.7
137.02356	100.0
137.05969	2.0
138.02737	1.1
147.04428	9.2
151.03918	17.5
161.06001	33.8
163.03946	3.0
165.07076	1.3
177.05484	0.9
194.07230	0.9
197.09697	1.1
210.06827	1.2
225.09114	5.4
252.93082	0.8
253.08633	5.7
256.07373	2.0
271.09668	80.1
272.10056	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87870	3.1
52.22594	2.9
53.40766	3.9
54.46205	3.0
56.09768	3.4
56.96566	8.8
57.03431	3.5
67.05502	6.2
68.99799	16.3
69.07089	4.7
70.06607	4.5
71.05011	5.3
71.46560	4.6
72.08139	8.4
73.02898	3.2
79.05488	5.4
81.03437	6.3
81.07049	5.4
81.77222	3.4
83.01128	4.1
84.08138	3.9
86.09693	7.5
89.22363	3.5
91.05476	19.0
93.07019	4.4
95.08648	3.2
97.06524	4.4
98.97594	10.1
103.05485	4.8
105.07033	4.9
107.04966	6.1
107.08588	5.5
119.01961	3.6
119.04930	5.7
119.07278	3.5
120.08098	14.7
121.02865	7.4
121.06438	4.4
127.00043	46.9
128.06204	3.8
129.10199	5.3
135.08118	3.8
137.05977	7.5
141.06984	9.9
147.04410	5.0
148.07579	4.4
149.02347	18.7
149.05852	9.5
150.05585	4.8
152.07135	4.8
152.96495	4.0
153.01840	7.5
153.06982	3.4
154.06778	3.4
155.04936	6.1
165.07014	3.8
167.01627	9.0
167.06891	19.4
169.06538	7.6
173.06058	15.4
177.05592	3.5
181.08363	7.7
182.03978	16.6
183.04443	6.3
185.07784	4.3
187.03932	4.9
197.06046	11.3
201.05524	9.9
202.06613	3.4
209.07925	15.6
215.07051	21.3
225.05492	4.9
225.07410	19.6
229.04955	16.2
243.06544	26.2
243.14987	14.1
253.04962	6.9
271.05869	68.8
271.07947	100.0
271.11218	7.3
271.14032	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	271.0598
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.01872	0.1
55.05507	0.1
56.96564	0.1
57.03431	0.1
65.03957	0.1
67.01534	0.1
67.01875	1.8
67.05516	0.2
68.99792	1.1
69.03439	0.1
69.07044	0.2
69.40494	0.2
69.40903	0.5
71.04997	0.1
81.03415	0.1
81.07084	0.4
83.08593	0.1
85.06533	0.1
91.05492	2.1
93.07037	0.2
95.08624	0.5
97.02922	0.1
97.06540	0.1
98.20754	0.1
98.97601	0.1
105.07038	0.1
107.04939	0.1
107.08613	0.2
109.10178	0.1
111.00820	0.2
115.05447	0.1
116.98653	0.1
119.04954	5.7
119.08540	0.1
121.02880	1.6
121.03722	0.1
121.10222	0.1
124.07609	0.1
125.02358	0.1
129.01849	0.3
131.04897	0.1
133.10202	0.1
135.00832	0.1
135.11682	0.1
135.19446	0.1
137.05995	0.1
140.18173	0.1
141.06975	0.3
145.02847	1.5
145.06471	0.1
148.07559	0.2
149.02345	0.1
153.01839	11.6
154.02266	0.1
161.13287	0.1
163.03926	1.1
164.76575	0.1
165.07025	0.1
169.06519	0.3
171.02914	0.6
173.06006	0.1
179.14305	0.1
183.08005	0.1
187.03925	0.4
197.05983	0.3
203.07036	0.3
207.49863	0.1
215.07069	0.1
225.05489	0.6
229.05008	0.5
243.06529	0.8
247.06044	0.2
253.04904	0.2
270.05145	0.1
271.06024	100.0
272.06375	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0601
Annotation	5,7,3'-Trihydroxyisoflavone
Peak:m/z	Relative Intensity
55.01860	2.0
55.05512	1.0
55.40678	0.8
56.96551	3.5
62.96186	0.9
65.03924	2.8
67.01839	1.2
67.90269	0.8
68.99790	6.3
70.98855	1.9
79.05460	1.0
81.07043	1.2
84.04498	3.9
85.86593	0.8
91.05485	9.6
97.02840	1.2
98.97565	2.9
103.05453	1.4
107.04957	7.1
111.00826	0.9
115.05465	1.6
116.98593	1.1
119.04955	5.6
121.02871	16.8
121.06519	0.8
125.83200	0.8
128.06194	1.7
131.04926	3.2
131.08514	1.1
137.05998	1.7
141.06987	8.9
145.02867	2.7
145.06483	3.3
147.04459	4.2
147.08046	2.9
149.02344	89.5
152.06078	1.0
153.01820	22.5
153.07021	2.0
157.06523	2.0
159.04399	3.4
159.08086	1.7
165.01851	1.2
168.05730	1.4
169.06467	9.0
169.07675	1.2
171.07990	1.3
173.05978	2.7
181.06468	2.2
181.10014	1.0
185.06023	1.3
187.03918	2.0
187.07539	2.0
192.13771	2.0
197.05994	14.7
199.07512	1.6
215.07031	100.0
216.07401	1.2
220.17023	2.4
225.05457	2.6
227.07091	1.5
229.04948	1.6
243.06538	85.4
248.05338	1.0
253.05032	3.8
271.06021	71.6
271.15240	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	271.0603
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.01871	0.1
57.74337	0.1
58.64862	0.1
63.72622	0.1
65.03929	0.2
67.01868	1.8
67.05511	0.1
68.99800	1.0
69.59422	0.7
79.05499	0.1
81.07051	0.1
85.02960	0.1
91.05482	1.6
93.07024	0.2
95.04990	0.1
95.08609	0.1
97.06509	0.1
98.97565	0.1
105.07048	0.1
109.02852	0.1
111.00795	0.3
116.98590	0.1
119.04950	5.1
119.08556	0.1
121.02873	1.3
125.02358	0.1
129.01871	0.2
131.04895	0.2
131.32764	0.1
141.06932	0.2
145.02847	1.6
145.06523	0.1
146.90623	0.1
153.01839	11.5
155.04852	0.1
157.06549	0.1
163.03929	0.9
165.06976	0.2
169.06461	0.3
171.02884	0.7
173.06023	0.1
185.05952	0.2
187.03896	0.4
197.06009	0.4
201.05515	0.2
203.07098	0.2
211.03957	0.2
211.07451	0.1
215.06990	0.3
221.05910	0.1
225.05502	0.7
229.04875	0.7
243.06509	1.0
247.06079	0.1
253.04945	0.3
271.06024	100.0
272.06363	1.2
275.82730	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0605
Annotation	Thunberginol A
Peak:m/z	Relative Intensity
51.65733	0.6
55.01863	2.6
55.05507	1.1
56.96555	1.2
57.07073	0.9
65.03925	0.7
67.05492	2.3
68.99798	26.2
69.03443	0.9
69.07076	1.7
71.01354	1.4
79.05483	2.0
81.03394	1.0
81.07058	4.3
91.05489	4.7
93.07044	1.6
94.60055	0.6
95.04912	0.7
95.08599	2.6
96.08145	0.8
98.21607	1.3
98.97596	3.4
101.48235	0.8
103.05482	0.9
103.58963	0.7
104.75945	0.7
105.07034	4.8
107.04965	1.9
107.08602	2.6
109.06522	1.6
109.10164	1.9
111.80982	0.8
115.05504	3.9
117.07023	3.6
119.04921	0.9
119.08569	2.7
121.02872	2.0
121.10156	1.3
123.04432	2.3
123.11661	0.8
124.07581	1.9
128.06218	2.1
129.07004	2.3
129.54260	0.6
131.04950	2.7
131.08623	3.6
133.06590	0.8
133.10144	2.4
134.03622	3.9
134.06039	1.6
135.11670	0.9
137.05995	0.9
141.05997	0.8
141.07008	9.5
144.05743	1.0
145.06496	10.5
145.10104	1.6
147.04422	5.4
147.08095	2.0
147.11722	1.0
148.07581	2.3
149.02342	2.5
151.03914	4.9
153.07037	1.4
155.04906	2.3
155.06046	1.8
155.08601	1.0
157.06490	2.9
158.99698	1.1
159.04370	1.0
159.08052	2.6
159.11670	1.4
160.05177	1.5
161.06012	4.7
164.07120	1.0
165.06984	2.1
169.06499	11.5
171.04419	1.0
173.05997	36.4
173.13182	0.8
174.06735	1.2
175.07561	4.0
181.06483	1.2
183.04518	1.4
183.08151	0.7
184.05060	0.7
185.05988	3.4
187.03969	0.9
187.07564	9.3
197.06003	21.9
198.06606	0.8
200.04695	1.9
201.05496	17.1
201.16402	0.8
202.06172	1.2
203.07042	2.7
211.03943	1.4
211.07622	2.5
213.05469	1.7
214.06161	0.9
215.07033	19.9
225.05504	12.1
227.07179	0.9
228.04240	0.7
229.04964	4.3
239.07077	1.1
240.07953	0.8
242.05730	2.4
243.06555	41.7
243.14929	0.9
253.04967	9.0
253.19138	0.8
256.07330	0.9
271.06052	100.0
271.09363	6.0
271.14328	1.8
271.17093	1.6
271.20615	4.7
271.23868	3.9
272.06369	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0602
Annotation	Apigenin
Peak:m/z	Relative Intensity
51.70834	0.1
53.97257	0.1
54.73776	0.1
55.01879	0.1
65.03967	0.1
67.01866	1.4
68.99786	1.0
69.03428	0.1
69.07073	0.1
80.53382	0.1
81.07068	0.2
91.04994	0.1
91.05481	2.0
93.07087	0.1
95.08619	0.2
97.02909	0.1
111.00803	0.2
115.05490	0.1
119.04946	5.6
119.08578	0.1
121.02866	1.8
129.01880	0.2
131.04938	0.1
133.10117	0.1
141.06976	0.2
145.02846	1.5
153.01833	12.1
159.04488	0.1
163.03920	0.9
169.06496	0.3
171.02902	0.7
187.03954	0.4
197.06047	0.3
198.46974	0.1
203.07048	0.2
215.06976	0.1
225.05435	0.6
229.04956	0.6
229.11723	0.1
243.06499	0.8
247.06055	0.3
253.05020	0.3
271.06009	100.0
272.06326	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0603
Annotation	3,7,4'-Trihydroxyflavone
Peak:m/z	Relative Intensity
55.01852	0.7
55.05507	0.4
56.96542	0.4
62.40695	0.3
67.05486	0.9
68.40664	0.3
68.99798	1.9
69.03407	0.4
69.07064	0.5
69.69965	0.5
69.70363	1.3
73.62736	0.2
79.05483	1.0
81.03406	1.1
81.07063	1.4
83.08619	0.3
85.02911	0.5
89.03892	0.3
91.05506	1.3
92.02638	0.4
93.07032	1.0
95.04945	0.4
95.08621	1.3
98.97607	1.2
103.05437	0.3
105.03378	1.2
105.07011	1.1
107.04965	1.9
107.08607	0.6
109.06480	0.6
109.10150	0.8
115.05452	0.6
116.98607	0.3
117.07031	2.6
119.04935	0.7
119.08563	0.9
121.02886	0.4
121.06481	1.0
121.10181	0.7
123.08058	0.3
131.04907	0.9
131.08557	1.4
133.02859	0.4
133.06487	0.4
133.10149	0.8
135.04425	0.5
135.11671	0.5
137.02347	17.7
141.07007	1.2
144.05675	0.5
145.06494	4.5
145.10045	0.4
147.04437	0.7
147.08020	0.4
147.11670	0.4
149.02325	0.9
153.01862	0.9
153.07005	0.6
155.06017	0.9
157.06520	0.5
157.10033	0.3
158.99609	0.4
159.11674	0.5
161.02335	2.6
161.13287	0.5
163.03931	0.3
165.07025	1.4
168.05722	0.5
169.06525	1.2
169.08864	0.3
173.06003	7.7
173.13211	0.3
175.14854	0.5
181.06461	1.0
183.08028	0.8
185.05959	0.4
187.03928	0.7
187.07626	1.5
189.05450	1.0
196.05200	1.1
197.05988	2.7
200.04636	1.7
201.05476	36.0
202.05992	0.3
203.06999	0.6
205.08093	0.3
211.07607	3.3
213.05420	0.6
215.07040	8.4
215.18021	0.3
221.06009	0.3
225.05487	2.3
226.12274	0.4
227.07167	0.4
228.07573	0.8
229.04953	3.8
229.08516	0.3
239.07045	1.4
240.07875	0.8
243.06528	2.6
253.04997	2.8
256.07101	0.5
271.06030	100.0
271.09323	4.3
271.24280	1.6
272.06464	0.6
287.93222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68375	4.9
68.99803	7.8
69.19367	27.6
69.19803	25.3
70.06590	11.3
73.17542	5.3
78.64386	6.2
79.05498	32.3
85.02900	7.1
87.00824	50.5
91.05495	11.2
98.20715	8.9
103.05477	71.5
107.04939	41.7
116.07105	14.3
119.04977	10.2
121.06519	66.3
124.01598	15.1
131.04945	65.1
147.04549	5.4
149.05991	49.5
153.01855	21.7
170.05994	6.5
186.53647	6.4
198.05562	7.2
207.06522	38.4
213.05501	6.4
213.54015	6.5
217.04919	5.4
235.06020	7.8
242.05740	21.0
269.04480	27.3
270.05252	76.0
271.06046	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31696	2.0
53.90613	2.0
54.74131	2.2
56.96555	9.3
57.07077	17.1
58.99870	22.8
69.07046	2.2
70.06572	7.2
70.99560	2.1
70.99867	24.8
71.54931	2.2
77.00923	23.1
78.51569	2.2
81.07056	2.9
85.01402	2.4
85.06552	22.3
89.00912	16.8
91.14927	2.1
95.01949	5.3
98.97584	15.2
103.02447	14.3
116.98605	7.3
119.01929	5.1
121.03444	6.3
124.03978	3.9
125.04444	3.1
129.03970	9.8
131.01912	2.4
134.99716	3.7
135.01398	8.1
143.05562	18.3
145.07112	47.4
147.05025	7.6
153.02470	9.7
155.05513	2.2
156.02588	2.5
157.07109	5.6
158.99651	3.0
160.57210	1.9
161.06612	22.7
163.08171	100.0
168.08739	2.9
168.14909	2.1
173.06586	3.2
175.08162	21.9
175.19351	2.2
176.05238	2.4
179.07625	8.4
181.06070	2.1
186.09813	3.9
189.06085	53.6
193.09274	6.5
203.07706	10.0
206.25296	2.2
207.07155	57.2
213.05391	2.6
219.07141	5.9
221.08742	6.5
224.10698	5.7
224.35353	2.2
229.05678	12.1
247.06689	89.6
270.08508	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.9
53.03940	0.3
55.01859	0.7
55.05308	0.2
55.05515	1.8
55.34811	0.2
56.44587	0.2
57.03432	0.6
57.07078	8.8
59.56444	0.2
65.03940	8.0
66.46311	0.2
67.05177	0.3
67.05506	4.1
69.03413	0.4
69.07076	2.7
71.04981	0.5
71.08638	4.5
71.54825	0.2
77.03946	0.2
79.05489	2.3
81.07060	4.4
83.01340	0.3
83.04993	1.1
83.08615	1.7
85.06522	0.3
85.10187	4.4
91.05474	0.6
93.03407	5.8
93.07047	3.2
95.01324	0.6
95.04974	0.4
95.08614	8.0
97.06523	0.7
97.10165	0.6
99.08113	0.2
103.01881	0.4
104.99276	0.4
105.07016	0.3
107.04979	0.4
107.08601	1.5
109.10154	2.8
111.04478	1.2
111.08036	0.2
117.07053	0.2
119.08567	0.4
120.62180	0.2
121.02882	5.1
121.03894	0.4
121.06486	0.7
121.10138	2.5
123.11732	0.4
129.05557	0.2
131.01288	8.9
131.08546	0.4
133.10144	0.2
135.11719	1.3
137.02386	0.4
139.07501	0.2
149.02345	51.5
149.13228	0.8
150.02687	0.4
151.14836	0.7
157.10185	0.2
159.11713	0.4
163.03860	0.4
167.03406	100.0
168.03789	1.3
169.06526	0.2
169.15881	5.0
170.07335	0.2
177.12738	0.3
177.58147	0.3
181.04964	0.2
181.06393	0.2
191.18005	0.6
197.05980	0.2
199.07535	0.5
205.19542	0.5
209.18994	5.7
215.17917	0.2
216.19354	0.2
223.20605	0.2
227.07051	0.8
227.20036	0.8
233.54219	0.3
234.04051	0.6
235.03351	0.2
251.07104	0.3
251.20094	0.7
269.08130	5.4
269.11288	0.4
269.21140	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	269.2114
Annotation	Epijuvabiol
Peak:m/z	Relative Intensity
53.03949	2.8
55.01868	5.2
55.05519	31.4
56.96574	3.8
57.03445	15.9
57.07083	44.3
61.02920	1.7
63.43597	1.9
65.03952	9.8
67.05514	87.2
69.03436	11.7
69.06725	3.1
69.07076	48.0
69.26096	14.1
71.05003	12.5
71.08641	27.6
73.02892	1.8
79.05502	56.0
81.03425	5.1
81.07069	100.0
83.04996	16.4
83.08633	30.1
83.37701	1.7
85.06552	7.0
85.10186	16.5
87.04477	2.4
90.67412	1.6
91.05492	22.9
93.03423	4.0
93.06480	3.6
93.07056	69.1
95.04984	7.1
95.08617	90.2
97.06539	13.0
97.10150	10.2
98.97560	2.9
99.08112	4.2
104.63164	1.8
105.07038	10.4
107.05009	2.2
107.08604	40.8
109.06505	1.9
109.10169	42.8
111.04466	9.6
111.08083	5.7
111.11742	3.3
115.03905	1.8
116.98669	2.1
117.07053	8.0
119.08595	7.2
121.02893	5.0
121.06516	4.1
121.10159	58.7
123.11703	10.0
125.06019	4.0
125.09676	1.9
127.11183	3.8
129.05508	13.5
131.01299	4.8
131.08572	10.5
133.10133	11.5
135.08078	2.7
135.11707	34.5
137.13263	5.0
139.07588	4.1
139.11217	3.3
143.08595	2.3
145.10110	2.5
149.02354	36.7
149.09714	2.1
149.13287	23.8
151.11177	1.8
151.14847	6.9
153.09036	2.4
155.14357	4.5
157.10158	2.4
159.11700	9.7
163.11203	2.3
165.07080	2.0
167.03426	74.9
169.15880	13.0
170.87779	1.7
173.13222	2.0
177.12791	5.1
184.59544	1.8
189.16393	3.7
191.17970	53.1
193.12302	2.3
195.13777	4.0
199.07538	3.3
200.00049	1.8
205.19504	2.8
209.19040	46.7
211.10843	1.9
215.17973	7.8
223.20589	4.6
226.06430	2.9
227.07060	5.6
227.20126	2.4
233.18958	3.3
240.04643	1.8
241.04756	1.5
251.20139	10.4
254.05699	2.0
269.08191	15.0
269.11362	8.4
269.17224	11.8
269.21179	42.9
270.12650	3.1
274.23666	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	269.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00328	0.9
53.03953	2.4
55.01879	2.7
55.05517	12.8
56.96586	0.9
57.03439	19.9
57.07079	3.8
65.03946	11.7
67.05508	40.9
68.99799	1.4
69.03428	1.4
69.07072	17.9
70.93820	0.8
70.94165	1.3
71.04981	3.2
71.08643	0.8
73.02892	0.7
79.05499	24.4
81.03433	1.2
81.07062	51.9
83.04980	5.2
83.08618	9.8
85.02917	0.6
85.06554	3.2
87.02110	0.6
87.04523	0.6
91.05484	11.2
93.03414	6.3
93.07049	36.8
95.01336	0.7
95.04987	2.9
95.08615	17.9
97.06532	7.7
97.10196	1.6
98.97630	1.6
99.08105	2.5
100.21524	0.6
103.01886	0.6
105.07028	5.7
107.04982	1.0
107.08604	19.5
107.09296	1.3
109.06538	2.1
109.10156	4.2
111.04486	1.0
111.08112	5.9
111.11701	1.0
113.06013	0.7
113.09606	0.8
117.07019	5.3
119.08581	3.2
121.02896	5.4
121.06538	2.5
121.10149	15.1
123.08097	0.6
123.11727	3.0
125.09640	0.9
127.07559	1.2
129.06981	0.9
131.01297	10.0
131.08592	7.0
133.10167	5.0
135.08061	1.6
135.11717	7.9
139.07532	0.8
139.11142	1.2
143.08640	1.3
145.10126	2.0
147.11681	2.0
149.02353	67.6
149.09654	1.7
149.13264	26.1
151.11119	0.7
157.10118	2.1
159.11703	11.0
161.13321	0.8
161.56593	0.7
167.03412	100.0
168.03677	0.8
173.13255	1.5
175.14948	0.7
177.12762	4.8
185.13275	1.3
195.13789	5.7
199.14778	1.1
201.05525	0.8
209.13072	0.7
213.05537	0.9
213.16513	1.0
241.04974	1.3
251.20039	1.1
269.04443	3.4
269.08096	6.7
269.17462	21.1
269.22415	5.5
283.30109	0.7
290.81552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03933	4.4
55.01863	4.9
55.05516	22.2
57.03443	37.0
57.07084	16.8
59.31215	1.3
61.39054	1.2
65.03935	5.0
67.05511	76.6
69.03433	1.5
69.07068	31.7
71.05009	7.5
71.08632	9.9
79.05501	46.9
81.03425	1.9
81.07063	100.0
83.04980	9.8
83.08634	18.0
85.06541	5.0
85.10192	5.3
91.05486	21.1
93.07051	74.8
94.03484	1.2
95.04987	7.5
95.08618	37.6
97.06528	13.3
97.10155	2.8
98.20723	2.9
99.08096	4.5
104.99261	4.8
105.04560	1.7
105.07021	7.6
107.08602	36.6
107.11417	1.4
109.06501	3.7
109.10174	8.2
111.04446	2.8
111.08101	9.8
117.07007	7.7
119.08610	4.5
121.06545	2.0
121.10161	30.2
123.11723	3.0
125.06006	1.4
131.08592	12.5
133.10129	7.6
135.08066	1.8
135.11713	12.3
139.11211	1.9
142.49861	1.3
147.11737	1.8
149.02397	8.4
149.09612	1.3
149.13272	46.1
159.11705	18.2
167.03424	14.2
169.15858	5.5
177.12822	8.7
183.12064	1.3
191.17976	3.1
195.13808	12.2
209.19017	8.7
215.17989	1.8
269.08112	10.1
269.17484	34.5
269.21109	15.6
270.28009	2.0
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
50.36127	4.1
52.65234	4.2
52.72531	4.8
53.03929	5.6
55.05505	20.7
56.96564	19.5
57.03439	13.8
57.07081	7.2
64.71249	4.6
67.05508	48.6
69.03440	10.7
69.07082	25.6
70.83380	7.2
70.83705	11.0
71.05010	26.5
79.05497	55.9
81.03410	10.0
81.07072	77.3
83.04988	28.6
83.08611	11.0
85.02915	5.6
85.06537	15.2
91.05482	59.0
93.07051	100.0
95.04959	22.5
95.08625	49.6
97.02927	5.6
97.06546	14.3
97.10159	5.7
98.97592	27.8
99.04456	14.9
105.07043	59.0
107.04945	8.1
107.08610	54.8
108.80869	5.1
109.06525	55.4
109.10158	19.3
111.04443	16.6
111.08075	9.5
116.98593	6.8
117.07053	24.1
119.08563	27.8
121.06498	11.2
121.10145	22.9
122.69276	5.3
123.08054	8.0
123.11726	11.3
125.05917	7.1
127.07578	6.5
128.06207	6.6
128.93054	4.6
129.07014	10.1
130.07779	8.6
131.08566	32.0
133.06505	9.0
133.10124	25.3
135.08051	25.2
135.11690	40.1
137.05952	39.6
137.13193	5.3
139.07539	7.1
143.08546	12.1
145.09081	6.6
145.10133	64.0
147.08057	11.7
147.11786	11.2
149.09631	13.4
149.13298	23.2
151.07545	10.6
153.09129	14.4
153.12770	6.9
155.08546	6.9
157.10117	15.7
158.99686	7.9
159.11702	26.4
161.13280	10.2
163.11166	22.7
167.10736	7.9
169.10091	5.5
171.11610	8.5
173.09608	28.1
173.13295	7.1
177.12776	22.1
181.12192	6.8
186.99234	5.2
187.11188	18.9
187.14743	6.3
191.10686	43.2
199.14807	6.7
205.12285	17.1
206.97987	4.8
209.11609	10.2
215.10745	13.3
219.01793	5.9
227.17871	6.2
233.11734	21.5
241.05011	7.6
243.58998	13.3
251.12755	18.1
251.20143	6.1
269.04434	6.4
269.08167	27.8
269.13425	11.1
269.22696	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	0.8
53.03945	0.4
55.01871	1.0
55.05513	1.9
56.96561	0.8
57.03439	2.3
57.07068	0.7
61.67023	0.2
62.93539	0.2
65.03605	0.5
65.03941	9.1
67.05508	5.9
69.07070	2.7
71.04993	0.5
71.55000	0.2
71.55444	0.2
78.34940	0.2
79.05068	0.3
79.05498	3.7
81.03419	0.5
81.07061	7.1
83.04980	0.9
83.08627	1.8
85.06536	0.6
91.05485	2.0
93.02815	0.4
93.03405	5.7
93.07046	4.8
95.01344	0.8
95.04952	0.7
95.08613	3.3
97.06530	1.4
97.10171	0.3
98.97571	0.5
99.04465	0.3
99.08080	0.5
103.01823	0.7
105.07027	2.1
107.04888	0.3
107.08598	2.4
109.06502	0.5
109.10154	1.4
111.04449	0.8
111.08062	0.5
111.11669	0.3
112.72491	0.2
115.05456	0.3
116.98615	0.3
117.07018	0.9
119.08572	0.9
121.02874	5.0
121.06516	1.1
121.10151	2.7
123.08078	0.7
123.11736	0.6
128.06209	0.2
129.07011	0.3
131.01289	9.1
131.02274	0.5
131.08578	1.4
133.10097	1.6
135.11685	1.0
137.09592	0.2
143.08545	0.4
145.10123	1.1
147.11674	0.7
149.02344	53.4
149.13268	3.0
150.02634	0.3
157.10083	0.9
159.11685	1.6
161.13316	0.4
167.03403	100.0
168.03728	1.1
171.11716	0.7
173.13255	0.7
175.14876	0.5
177.12747	0.7
183.29475	0.2
185.06119	0.2
185.13249	0.7
191.17949	0.4
195.13785	0.6
199.14821	0.6
205.66100	0.2
209.18982	0.3
211.14854	0.3
213.16295	0.5
251.20216	0.4
269.04837	0.4
269.08078	5.1
269.17398	2.3
269.22726	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	269.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.2
53.00298	1.0
53.03949	0.4
55.01865	0.7
55.05517	1.2
56.96566	0.3
57.03442	1.9
57.07071	0.4
60.40592	0.1
63.52637	0.1
64.47077	0.1
65.03943	9.5
67.05508	4.4
67.05875	0.2
68.99791	0.5
69.03428	0.2
69.07071	1.8
71.05006	0.5
71.16218	0.4
74.06125	0.1
75.02385	0.2
79.01846	0.1
79.05494	2.7
81.03415	0.3
81.07059	5.5
83.01378	0.2
83.04985	0.7
83.08622	1.2
85.06553	0.4
91.05493	1.3
93.03408	6.1
93.07047	4.2
95.01339	1.1
95.04955	0.5
95.08607	2.1
97.06540	1.0
97.10177	0.3
98.97549	0.4
99.08135	0.2
103.01833	0.5
105.07030	0.9
107.04958	0.2
107.08589	2.5
108.95495	0.1
109.06544	0.4
109.10162	0.7
111.04440	0.6
111.08088	0.4
116.98629	0.3
117.07042	0.5
119.08602	0.8
121.02875	5.2
121.03870	0.4
121.06478	0.8
121.10165	1.3
123.08039	0.2
123.11725	0.5
125.09641	0.1
126.99280	0.2
129.07033	0.2
131.01292	10.2
131.08607	0.8
133.10127	0.8
135.11662	0.5
137.09671	0.2
141.07002	0.2
143.08557	0.2
145.10091	0.2
147.11664	0.3
149.02347	66.0
149.13271	2.6
150.02696	0.4
151.09212	0.1
157.06552	0.2
157.10120	0.3
157.70471	0.2
159.11684	1.5
163.03838	0.2
167.03406	100.0
168.03711	0.8
171.11624	0.2
173.13281	0.3
177.12785	0.3
181.04958	0.2
185.13290	0.4
187.14825	0.2
195.13773	0.6
199.14752	0.2
209.65790	0.2
213.16466	0.2
227.07033	0.3
241.05022	0.3
242.05464	0.2
269.04565	0.5
269.08115	4.7
269.12488	0.2
269.17377	2.0
269.22595	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.2
51.48408	0.2
53.00316	0.6
53.03946	0.3
54.81904	0.1
55.01880	0.6
55.05523	0.9
55.30015	0.1
57.03441	0.3
57.07079	4.4
65.03944	9.0
67.05511	2.9
69.07066	1.4
71.04988	0.4
71.08634	2.4
75.53704	0.2
79.05492	1.4
81.07065	2.9
83.04984	0.7
83.08606	0.9
85.10184	2.3
91.05471	0.4
93.03411	6.2
93.07045	1.5
95.01342	1.0
95.04966	0.3
95.08611	4.2
97.06532	0.5
97.10176	0.2
97.53012	0.2
99.86295	0.1
103.01857	0.5
104.99280	0.4
107.04998	0.2
107.08600	1.2
109.10162	1.1
111.04455	0.9
111.08076	0.3
119.08598	0.2
120.38347	0.1
121.02870	4.9
121.06498	0.9
121.10157	1.3
123.11736	0.3
125.09627	0.2
131.01292	8.7
131.08577	0.3
133.10107	0.3
135.11674	0.8
137.02345	0.4
149.02348	50.6
149.13268	0.5
150.02654	0.4
151.14873	0.2
163.03915	0.3
167.03407	100.0
168.03769	0.9
169.03767	0.3
169.15880	2.4
181.04933	0.3
185.05878	0.2
190.05064	0.2
199.07520	0.3
205.19498	0.3
209.19016	3.2
213.09186	0.2
225.03622	0.2
227.07063	0.7
227.20070	0.4
229.16264	0.2
234.04065	0.4
251.19934	0.2
269.08099	4.9
269.17624	0.5
269.21097	5.8
280.26251	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0811
Annotation	7-HYDROXY-2'-METHOXYISOFLAVONE
Peak:m/z	Relative Intensity
53.03923	0.4
55.05501	1.3
57.03421	1.4
65.03946	0.3
67.05511	4.5
68.99771	0.4
69.07067	1.6
71.04995	0.3
72.72277	0.3
79.05495	3.5
79.72878	0.3
81.07059	5.8
83.00307	0.3
83.04974	0.7
83.08604	1.4
85.06549	0.4
91.05495	2.2
93.06535	0.5
93.07054	4.1
95.04970	0.8
95.08615	2.1
97.06510	1.0
105.07027	1.0
107.04973	2.7
107.08605	2.9
107.16566	0.3
108.02104	0.7
109.06521	0.5
109.10148	0.7
111.08099	0.4
117.07034	0.8
118.04168	5.0
119.08580	0.8
121.02850	0.5
121.10137	1.6
131.08585	0.9
133.06488	1.0
133.10130	1.2
135.11700	1.1
136.01537	0.8
137.02390	2.2
141.06969	0.5
142.07867	0.3
147.04424	0.4
147.11719	0.5
149.02380	1.0
149.09499	0.5
149.13268	2.3
151.03911	1.3
152.06248	0.6
153.07010	0.3
154.02599	1.3
156.05725	0.9
157.10152	0.5
158.07263	0.4
159.11694	1.3
165.07007	0.6
167.03444	1.3
169.06525	0.6
170.07283	1.4
177.12822	0.4
181.06583	1.8
181.07912	0.3
182.07243	1.1
184.05151	0.6
193.41881	0.3
195.13771	0.7
197.05998	4.4
198.06760	2.5
209.05995	0.5
213.09125	10.1
225.05559	2.4
226.06224	7.4
237.05489	7.5
241.08533	0.8
251.07010	0.4
253.04985	7.8
254.05757	7.6
269.08102	100.0
269.17194	1.6
270.08456	1.4
280.72552	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00327	0.8
53.03936	0.2
55.01871	0.4
62.05394	0.2
64.19415	0.2
65.03944	9.2
67.15546	0.2
85.69640	0.2
93.03412	5.7
95.01330	0.9
98.20606	0.4
103.01848	0.5
107.05003	0.3
111.04460	0.5
121.02884	5.3
121.03851	0.3
121.06522	0.9
122.88552	0.2
131.01305	10.1
149.02351	100.0
150.02690	0.5
163.03905	0.2
167.03410	63.7
168.03807	0.3
269.08112	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0809
Annotation	7-Hydroxy-4'-methoxyflavone
Peak:m/z	Relative Intensity
53.00314	0.6
53.03954	0.6
55.01875	4.0
57.03433	0.4
58.72380	0.3
63.02387	0.3
65.03947	5.3
67.05503	1.0
68.99443	0.4
68.99797	7.3
70.82706	0.8
71.01357	4.1
79.05488	1.3
81.03422	2.7
81.07081	0.7
90.43291	0.3
91.05496	1.9
93.03406	2.5
93.07049	0.6
95.01322	0.5
95.04961	0.6
99.61936	0.3
103.01890	0.5
103.05473	4.4
105.04504	0.3
105.07030	0.9
107.04960	1.5
111.04453	0.7
115.05465	1.2
117.07056	0.4
119.04953	0.5
120.05740	0.3
121.02872	3.5
121.03786	0.4
121.06512	0.4
123.04448	4.0
127.05474	0.3
128.06239	5.6
129.07024	2.8
129.82631	0.3
131.01305	4.5
131.04933	6.3
131.08565	0.5
133.06497	3.0
134.03642	0.6
135.04417	0.5
137.02345	26.8
141.07001	2.3
142.07695	0.3
143.08578	5.6
144.05721	0.6
145.06473	1.2
145.10185	0.3
147.04440	1.8
149.02353	47.3
150.02808	0.3
151.05447	0.5
152.06195	4.3
153.07002	5.9
155.06042	0.4
155.08542	0.6
157.05228	0.5
157.06494	8.1
157.07765	0.6
158.07289	0.4
159.04431	5.1
159.08037	2.3
159.11806	0.5
163.03952	0.4
165.07008	4.5
166.07794	0.6
167.03412	30.1
167.08583	3.2
168.05771	0.4
169.06476	4.4
170.07260	0.8
171.08057	13.9
173.06039	1.7
173.09657	1.6
175.03926	0.4
176.06282	1.2
177.05428	0.9
177.07024	2.5
181.06477	12.3
182.07283	1.3
183.08070	3.7
184.05223	4.1
185.05991	31.0
185.09567	1.1
186.06650	0.5
194.07265	0.4
195.08057	6.2
197.05986	3.6
198.06796	5.5
199.07553	85.7
200.07893	1.2
201.09224	0.6
205.06499	3.6
206.07283	0.9
208.05211	0.5
209.05931	2.5
210.06787	1.8
213.05617	1.7
213.09065	2.7
221.06065	1.0
222.06630	1.5
223.07556	12.3
225.05711	2.0
225.09109	10.0
226.06226	6.8
227.07037	77.8
228.07381	1.4
233.05989	0.8
234.06781	1.1
240.07651	0.4
241.08620	6.3
245.08160	0.6
250.06245	0.6
251.07051	35.0
252.07478	0.5
269.08099	100.0
270.08453	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02182	0.1
51.02388	0.1
53.00289	1.0
53.03939	0.1
55.01877	0.6
55.05505	0.2
57.03430	0.2
58.68552	0.1
60.95916	0.1
65.03945	10.5
66.04265	0.1
67.05510	0.5
68.99771	0.1
69.07065	0.1
69.43719	0.3
69.44140	0.2
75.02370	0.2
77.03920	0.1
79.05500	0.3
81.03432	0.2
81.07062	0.5
83.01353	0.2
83.04987	0.1
83.08638	0.1
91.05477	0.1
93.03411	7.5
93.07050	0.5
94.03738	0.1
95.01344	0.9
95.04961	0.2
95.08611	0.2
97.06532	0.1
103.01836	0.7
104.99256	0.1
107.04965	0.2
107.08602	0.2
111.04458	0.7
111.08022	0.1
113.35933	0.1
121.02874	6.2
121.03907	0.3
121.06504	0.9
121.10130	0.1
131.01297	11.4
132.01636	0.1
133.10167	0.1
135.11624	0.1
137.02432	0.1
149.02350	80.5
149.13213	0.3
150.02690	0.5
159.11673	0.1
163.03894	0.3
167.03407	100.0
168.03755	0.7
169.03796	0.2
181.04933	0.3
181.06432	0.1
190.04947	0.1
195.13763	0.1
199.07643	0.1
217.02457	0.1
217.52724	0.1
219.02235	0.1
226.53207	0.1
227.07083	0.2
238.03870	0.1
269.08109	4.4
269.17264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0809
Annotation	Tectochrysin
Peak:m/z	Relative Intensity
51.02378	0.2
53.00293	0.7
53.03937	0.3
55.01874	0.9
55.05492	0.9
57.03420	0.8
57.07073	0.3
59.34272	0.2
63.02377	0.2
65.03947	8.2
67.05515	2.3
68.99761	0.7
69.07069	0.9
70.04619	0.8
71.01337	0.2
71.04942	0.2
78.72717	0.2
79.05107	0.2
79.05497	1.9
81.03416	0.3
81.07067	3.1
83.01353	0.2
83.04962	0.3
83.08591	0.6
85.06511	0.2
91.05497	1.4
93.03413	6.0
93.07055	2.2
95.01303	0.8
95.04955	0.3
95.08594	0.8
96.02084	0.2
97.06519	0.5
102.96506	0.2
103.01823	0.5
103.05453	0.6
104.99251	0.5
105.07033	0.9
107.04932	0.8
107.08624	1.1
109.10163	0.3
111.04445	0.5
111.08085	0.3
111.74157	0.2
115.05464	0.2
115.23881	0.2
116.98630	0.2
117.07038	0.3
119.04946	0.4
121.02876	5.4
121.06491	0.9
121.10150	1.0
121.76011	0.2
123.04418	0.5
127.68899	0.2
128.06203	0.5
129.06984	0.3
131.01303	8.9
131.04939	0.4
131.08591	0.4
133.10146	0.5
135.11711	0.2
137.02377	1.2
137.70961	0.2
143.08542	0.4
147.04427	0.4
149.02354	51.7
149.13289	1.1
150.02765	0.2
152.06210	0.6
153.07039	0.3
155.08580	0.2
157.06474	0.4
159.04434	0.3
159.08066	0.3
159.11702	0.4
163.03941	0.4
165.07018	0.6
167.03412	100.0
168.03772	0.9
169.06538	0.5
171.08072	0.9
181.05077	0.3
181.06410	1.0
183.08018	0.3
185.05997	1.2
195.08073	0.8
195.13855	0.4
198.06779	0.5
199.07550	4.5
205.06538	0.4
210.98286	0.2
213.09076	1.0
223.07561	0.8
225.09134	0.4
226.06348	0.4
227.07024	3.4
241.08673	0.9
251.07072	2.3
269.08133	10.6
269.17300	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0809
Annotation	7-Hydroxy-4'-methoxyflavone
Peak:m/z	Relative Intensity
53.00305	1.1
53.03933	0.7
55.01871	1.7
55.05502	1.0
57.03434	0.9
57.07061	1.0
65.03943	9.8
67.05505	4.2
68.99794	2.6
69.07056	1.7
71.01330	1.3
71.08604	0.5
71.55377	0.8
71.91940	0.4
77.38416	0.5
79.05498	3.4
81.03410	1.9
81.07054	4.5
83.04952	0.6
83.08628	1.2
91.05470	2.5
93.03412	6.6
93.07028	3.0
95.01330	0.7
95.04962	0.7
95.08610	2.6
97.06510	0.7
100.98940	0.7
103.01827	0.9
103.05460	1.9
104.99270	1.4
105.07023	2.6
107.04911	0.8
107.08572	1.5
109.10170	0.7
111.04456	0.6
115.05476	0.5
117.07084	0.6
119.04904	0.6
120.05676	0.6
121.02872	6.3
121.06477	0.9
121.10144	0.9
123.04430	1.9
123.11739	0.5
128.06200	3.2
129.06996	1.5
131.01289	9.6
131.04950	2.0
133.03558	0.5
133.06500	9.2
133.10112	0.6
133.11188	0.6
134.03593	1.1
135.11705	0.8
137.02345	42.3
139.04239	0.6
141.06999	1.3
143.08556	2.8
145.06479	0.6
145.10115	0.6
147.04434	1.2
149.02347	53.6
149.13280	1.3
152.06245	2.1
153.06984	2.8
157.06447	2.7
157.10091	0.5
159.04387	1.1
159.08029	0.8
159.11763	0.6
163.03952	0.7
165.07045	1.4
167.03407	100.0
167.08476	1.0
168.03711	0.7
169.06551	2.0
171.08060	6.3
177.05440	1.0
177.06976	0.6
181.06465	4.7
182.07320	0.5
183.08047	1.2
184.03642	0.8
184.05193	8.5
185.05988	7.0
195.08095	2.5
197.05927	3.2
198.06770	10.4
199.07549	27.4
205.06494	0.8
209.06035	0.9
210.06726	4.1
213.05547	0.9
213.09123	2.0
217.09598	0.6
222.06830	0.4
223.07593	4.2
225.05490	1.3
225.09157	2.2
226.06253	18.1
227.07036	92.8
228.07442	1.4
241.08582	2.4
251.07056	8.9
251.09526	0.6
269.08096	31.5
287.09161	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.2
53.00288	0.9
53.03937	0.2
55.01872	0.6
55.05516	0.2
57.03446	0.2
57.07071	0.1
62.18270	0.1
64.73317	0.1
65.03943	9.0
66.04272	0.1
67.05508	0.5
68.47709	0.1
68.99789	0.1
69.07069	0.3
69.44282	0.3
69.44711	0.3
75.02345	0.1
79.05472	0.3
81.03416	0.1
81.07057	0.6
83.01347	0.3
83.04980	0.2
83.08630	0.2
91.05481	0.2
93.03409	6.0
93.07047	0.3
95.01332	0.8
95.04972	0.2
95.08600	0.2
97.06590	0.1
103.01834	0.5
105.07022	0.1
107.04947	0.3
107.08591	0.3
109.02914	0.1
111.04461	0.5
111.08097	0.1
113.84369	0.1
117.07032	0.1
119.08620	0.1
121.02874	5.8
121.03897	0.3
121.06503	0.9
131.01295	10.0
133.10143	0.1
137.02374	0.1
139.03899	0.1
144.23639	0.1
149.02344	61.8
149.13245	0.3
150.02670	0.3
159.11685	0.1
163.03929	0.2
167.03401	100.0
168.03758	0.7
169.03821	0.2
181.05002	0.2
190.05008	0.1
195.13829	0.1
199.07585	0.1
227.07059	0.2
241.08740	0.1
269.08084	4.3
269.17447	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54288	0.4
53.00303	0.8
53.03941	0.6
55.01866	1.1
55.05271	0.4
55.05518	4.9
56.96569	0.7
57.03436	2.8
57.07071	0.6
57.40858	0.3
58.47268	0.3
65.03947	7.4
67.05509	9.3
69.07076	6.0
71.04990	0.5
71.15798	0.5
71.16134	0.4
79.05068	0.5
79.05498	6.3
81.03427	0.6
81.07059	13.0
81.07529	0.8
82.25582	0.3
83.04984	1.4
83.08630	3.2
85.06544	0.7
89.73934	0.3
91.05489	3.0
93.03414	5.1
93.07044	8.5
93.07630	0.5
95.01362	0.5
95.04960	0.8
95.08053	0.7
95.08617	8.3
97.06549	1.8
97.10156	1.1
98.97546	0.6
99.08105	0.4
103.01860	0.5
105.07032	1.7
107.08603	4.7
109.06507	0.8
109.10169	2.8
111.04436	0.5
111.08089	1.1
117.07033	1.0
119.08615	1.2
121.02875	4.8
121.06512	1.0
121.10166	4.8
123.11721	1.1
131.01303	8.3
131.08563	1.4
133.10152	1.8
135.11667	2.0
137.37546	0.4
139.11191	1.1
143.08571	0.4
145.10196	0.9
149.02351	49.7
149.09552	0.4
149.13278	3.2
150.02693	0.4
151.11151	0.4
159.11710	1.6
161.07889	0.4
163.14697	0.3
167.03413	100.0
168.03748	0.4
173.13281	0.4
177.12766	1.0
187.13330	0.3
195.13800	1.3
215.17978	1.0
233.18982	1.8
251.20061	5.3
255.09045	0.6
269.08087	5.4
269.11044	0.7
269.17426	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	269.081
Annotation	7-Hydroxy-4'-methoxyflavone
Peak:m/z	Relative Intensity
52.41218	0.3
53.00301	0.8
53.03948	0.9
54.69326	0.3
55.01869	2.3
55.05506	0.9
56.78872	0.3
56.96561	0.6
57.03438	1.6
57.07051	0.3
62.19134	0.3
65.03944	6.8
67.05509	3.9
68.99786	3.7
69.03416	0.5
69.07069	1.5
70.12835	1.5
71.01354	1.4
79.05494	3.8
81.03414	2.5
81.07066	4.8
83.04998	0.8
83.08614	1.0
85.06526	0.4
91.05488	2.7
93.03419	4.2
93.07043	3.0
95.01339	0.9
95.04948	1.1
95.08599	1.5
97.06527	0.4
97.49480	0.3
103.05479	2.6
105.07029	2.7
107.04958	1.2
107.08605	1.7
111.04437	0.4
111.08067	0.5
115.05476	1.1
117.07051	0.6
119.04931	0.5
121.02874	4.8
121.06528	0.4
121.10166	1.0
121.53399	0.3
123.04422	1.8
123.87979	0.3
128.06223	4.2
129.06990	1.5
131.01289	6.8
131.04942	3.1
131.08577	1.0
133.06503	8.4
133.10129	0.9
134.03650	0.6
135.04369	0.4
135.11639	0.8
137.02345	44.7
141.06990	1.1
143.08531	1.7
145.06491	0.9
146.43672	0.3
147.04448	2.2
149.02348	44.5
149.13268	2.3
150.02864	0.3
152.06181	2.8
153.06992	2.7
155.06093	0.5
155.08653	0.4
157.06506	2.8
157.10161	0.4
159.04446	1.5
159.08070	0.8
159.11685	0.5
163.03958	0.6
165.06987	2.3
166.07681	0.4
167.03410	64.6
167.08495	1.7
169.06459	2.1
170.07233	0.7
171.08064	8.3
171.11674	0.4
173.05980	1.2
173.09613	0.6
177.05508	0.4
177.07031	0.9
177.12781	0.5
181.06480	6.3
182.07246	0.7
183.08064	1.0
184.05212	9.0
185.05989	9.6
195.08051	2.7
195.13844	0.8
197.05919	3.0
198.06783	10.2
198.86081	0.3
199.07555	36.3
200.07971	0.9
205.06497	1.4
209.05989	1.1
210.06778	4.4
212.04695	0.4
213.05525	0.7
213.09087	2.5
223.07553	4.8
225.05515	1.0
225.08986	2.7
226.06258	15.5
227.07036	100.0
228.07359	0.9
241.08606	2.7
241.13391	0.5
251.04407	0.7
251.07048	13.1
254.05873	0.3
269.08109	39.3
269.17508	1.7
269.22565	0.5
270.08691	0.8
287.08917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.1
53.03923	0.1
53.40929	0.1
55.01875	0.6
55.02070	0.1
55.05477	0.1
55.05806	0.1
60.94582	0.1
65.03945	10.7
65.04443	0.3
67.05476	0.1
68.99757	0.2
70.79037	0.3
75.02341	0.2
75.15195	0.1
79.05489	0.2
81.03416	0.1
81.07032	0.1
81.43647	0.1
83.01301	0.2
93.03413	7.1
93.07045	0.2
95.01331	1.0
103.01839	0.7
107.04950	0.3
111.04449	0.8
121.02878	6.9
121.03857	0.3
121.06492	1.0
131.01299	12.4
149.02351	100.0
150.02690	0.7
163.03925	0.3
167.03409	99.2
168.03775	0.7
169.03795	0.2
169.06554	0.3
181.04979	0.2
188.19145	0.1
197.06006	0.3
227.07179	0.2
251.06989	0.2
269.08142	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	269.081
Annotation	Isodalbergin
Peak:m/z	Relative Intensity
51.02384	0.4
53.03939	0.7
55.01628	0.4
55.01876	4.9
57.07064	0.3
58.29492	0.2
59.70943	0.2
61.55678	0.2
63.02373	0.2
65.03946	2.5
67.05506	0.7
68.99792	9.8
69.03426	0.3
69.07063	0.3
69.84813	1.1
71.01355	5.2
73.02919	0.4
74.01599	0.2
75.48107	0.2
75.49234	0.2
77.03943	0.3
79.05502	3.3
81.03428	2.5
81.07056	0.5
83.01364	0.3
91.05485	8.1
92.06269	0.5
93.03404	0.8
93.07059	0.5
95.04982	1.4
95.08611	0.5
98.20836	0.4
103.05473	6.0
105.03407	0.4
105.04506	0.3
105.07028	2.1
107.04956	3.9
107.08612	0.3
109.02860	0.4
111.04435	0.7
115.04729	0.3
115.05456	1.8
116.06217	0.2
117.07010	0.9
119.04958	4.7
120.05727	1.8
121.02878	5.8
121.06483	0.6
121.10113	0.3
123.04440	6.1
127.05434	0.2
128.06224	6.4
129.07010	4.2
131.01300	1.2
131.04932	8.8
131.08542	0.5
132.05693	0.6
133.02817	0.5
133.06494	2.7
133.42061	0.2
134.03638	3.2
135.04387	1.1
137.02345	21.5
137.05928	1.6
139.05411	0.3
141.06990	3.4
142.07825	1.2
143.04935	0.3
143.07368	0.2
143.08560	5.7
144.05693	1.3
145.06456	2.1
145.10121	1.0
147.04420	4.1
149.02353	11.3
149.06009	0.3
150.03146	2.0
151.05354	0.3
152.04968	0.4
152.06206	7.8
153.06996	6.8
154.07750	0.5
155.04886	0.4
155.06038	1.0
155.08568	1.5
157.06505	9.3
157.10135	0.7
158.07243	0.7
159.04417	4.9
159.08061	3.3
160.05171	0.7
161.02383	0.2
161.06036	0.4
163.03928	3.0
165.05795	0.2
165.06999	6.3
166.07829	1.5
167.03413	11.1
167.08572	7.1
168.05682	0.6
169.06491	6.6
169.07581	0.2
170.07278	2.3
171.08060	15.8
173.04597	0.3
173.06004	3.9
173.09621	2.5
175.03925	1.2
176.04669	0.6
176.06230	1.9
177.05463	1.8
177.07008	3.3
178.07799	0.5
180.05644	0.2
181.06480	14.3
182.07297	1.3
183.08054	4.2
184.05206	3.0
185.05988	27.7
186.06517	0.4
187.07573	0.4
193.06512	0.5
194.07266	1.0
195.08057	12.2
196.08722	0.4
197.05984	6.3
198.04926	0.4
198.06769	7.8
199.07549	83.4
200.04832	0.2
200.07848	0.6
201.09094	0.6
205.06470	4.0
206.07312	1.2
208.05243	0.6
209.05981	2.6
210.06808	0.9
211.07547	0.6
212.04732	0.3
212.08287	0.6
213.05655	2.7
213.09114	10.7
215.07030	0.8
221.06024	0.9
222.06725	1.2
223.07539	15.1
224.08289	0.9
225.05646	2.8
225.09108	8.4
226.06259	6.5
227.07034	62.0
228.07346	0.7
233.05949	0.9
234.06729	0.9
239.07007	0.9
240.07794	1.1
241.08601	12.8
249.05522	0.5
250.06262	0.8
251.07043	37.2
252.07686	0.7
254.05710	0.2
267.94553	0.2
268.07376	0.4
269.08090	100.0
270.08536	1.0
287.08914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.1
53.00289	0.9
53.03941	0.2
53.05431	0.1
55.01873	0.6
65.03948	9.1
75.02382	0.3
83.01340	0.2
93.03415	7.0
95.01357	0.8
98.20796	0.3
103.01850	0.5
107.04964	0.3
111.04478	0.5
113.32978	0.1
121.02879	5.5
121.03864	0.2
121.06499	0.9
131.01302	10.0
149.02356	100.0
150.02711	0.5
153.59138	0.1
163.03964	0.2
167.03415	72.0
168.03802	0.4
181.04944	0.2
190.05098	0.1
227.07022	0.2
241.24181	0.1
269.08118	4.7
270.08499	0.1
273.50864	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	268.1041
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01868	0.3
57.03439	0.7
59.84587	0.2
69.03443	0.5
71.01369	0.2
71.54471	0.3
73.02924	0.4
75.46378	0.2
83.13008	0.1
85.02914	0.7
94.04052	0.3
97.02895	0.3
98.97601	0.3
103.03970	0.2
119.03555	1.0
133.05058	0.2
136.06197	100.0
137.04640	0.4
137.05791	0.2
151.05853	0.2
152.89766	0.2
178.07289	0.2
187.37254	0.2
193.17717	0.2
250.93376	0.2
268.08020	0.3
268.10419	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	268.9464
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39474	9.3
59.94330	8.1
70.00463	7.7
70.80563	20.3
82.99813	8.2
85.40157	10.3
94.93040	14.2
112.89620	100.0
155.01961	18.2
167.26320	8.0
173.02983	23.3
184.84891	8.8
192.54456	8.1
197.68748	8.4
213.00069	17.4
268.94562	52.1
269.02866	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	268.1042
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01885	0.2
55.94529	0.2
57.03437	0.6
60.09900	0.2
63.99145	0.2
71.11121	0.5
73.02913	0.4
76.93609	0.3
94.04063	0.3
102.01618	0.2
119.03561	0.9
136.06195	100.0
137.06586	0.5
145.77852	0.2
268.10406	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	267.1957
Annotation	(+)-Ro 09-1549
Peak:m/z	Relative Intensity
53.03940	4.7
55.01875	46.3
55.05515	28.4
56.96571	7.4
57.03439	7.3
57.07068	4.8
65.03941	2.0
67.05510	20.6
69.03423	2.9
69.07076	19.3
70.46339	1.1
71.04992	2.8
71.08619	2.6
71.10049	1.0
72.84430	1.0
79.05498	16.4
81.03424	43.0
81.07065	23.8
81.14690	1.0
83.04996	9.1
83.08144	2.1
83.08624	33.4
83.09119	1.7
85.06564	1.5
91.05490	25.3
93.03395	3.4
93.07051	18.8
95.04978	29.1
95.08611	9.8
97.06524	4.1
97.10181	9.2
105.04477	1.3
105.07053	9.7
107.04996	2.4
107.08598	9.7
109.06527	19.5
109.10169	3.0
111.04440	5.4
111.08072	4.1
113.05973	2.6
119.04911	1.7
119.08593	11.3
121.02828	1.1
121.10144	6.6
123.08066	1.7
123.11739	1.7
129.05478	4.2
129.06993	3.7
131.08578	3.9
133.06522	2.5
133.10141	7.0
137.05983	18.2
142.07863	1.3
143.08557	1.9
147.08066	1.4
147.11746	4.8
149.09607	1.2
149.13240	1.8
151.07520	1.7
155.07040	100.0
156.07364	1.2
157.10143	3.0
165.07033	1.5
165.12708	1.7
167.14343	14.4
169.10112	1.0
171.11754	1.4
175.11153	4.9
175.12543	1.1
183.08026	1.8
189.16460	2.8
193.12271	8.6
195.49461	1.0
207.17462	6.5
211.13326	1.3
221.18927	1.1
229.50026	1.2
239.07106	4.1
249.18571	3.0
267.06827	4.8
267.09186	4.8
267.16025	17.0
267.19574	76.5
285.10184	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	267.1958
Annotation	Pseudopyronine A
Peak:m/z	Relative Intensity
53.03955	1.1
55.01871	1.0
55.05271	0.3
55.05516	3.8
56.96544	0.3
57.03423	0.9
57.07078	1.8
65.03929	0.3
67.01878	0.4
67.05177	0.3
67.05512	4.3
68.99795	3.3
69.03425	0.6
69.07077	2.6
71.01335	0.3
71.04988	0.6
71.08625	1.0
71.42328	0.2
71.99497	0.2
79.05500	1.9
81.03425	5.6
81.07066	4.4
83.04971	1.1
83.08631	2.2
85.02900	0.5
85.06544	0.5
85.10189	0.3
87.00836	2.4
91.05485	3.0
93.07066	1.5
95.04974	1.9
95.08618	3.0
97.02914	0.6
97.06522	0.6
97.10184	0.6
98.03660	0.3
98.20713	0.4
99.04472	0.2
102.04208	0.2
105.03389	0.3
105.07039	1.5
107.04968	0.4
107.08582	0.9
109.02892	0.8
109.06515	0.6
109.10158	0.5
110.77109	0.2
111.00830	1.5
111.04423	0.4
111.08074	0.4
113.02393	1.4
119.08577	1.4
121.10146	0.8
123.04430	0.7
123.11655	0.5
126.03135	3.4
127.03914	1.1
129.07016	0.5
131.08565	0.4
133.06435	0.3
133.10130	0.3
135.11653	0.3
139.03931	1.0
147.11713	1.2
149.01212	0.3
155.07054	0.9
156.03639	0.3
157.10117	0.5
165.12752	0.3
175.11325	0.3
183.10165	0.7
193.12273	0.8
197.11697	0.9
211.13274	1.2
225.14807	0.7
232.40099	0.2
239.20122	0.8
266.64859	0.3
267.19565	100.0
268.19745	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1594
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03949	4.1
55.01873	3.4
55.05521	8.8
57.03444	21.5
57.07081	1.0
62.64979	0.6
65.03954	1.3
67.05511	14.1
68.69793	0.6
69.03430	2.4
69.07079	3.9
69.27342	1.3
69.27740	5.4
71.01350	0.8
71.04985	1.8
78.61253	0.6
79.05499	12.6
80.08429	0.6
81.03428	100.0
81.07064	15.0
82.03785	0.7
83.04990	5.4
83.08627	13.8
85.06546	1.1
91.05497	18.0
93.07057	7.5
93.83210	0.7
95.04984	19.9
95.08626	7.0
97.02895	2.1
97.06548	1.5
97.10194	2.9
99.08086	0.8
103.05495	0.9
105.06388	1.2
105.07046	14.8
107.04977	5.1
107.08616	3.8
109.06531	3.2
109.10181	1.3
111.04450	1.9
111.08108	6.3
115.05453	1.2
117.07015	1.6
119.08607	12.1
121.06523	1.6
121.10154	4.6
123.08068	1.6
123.11710	1.9
125.09692	0.9
126.62833	0.6
128.06229	1.0
129.07027	7.6
131.08588	6.9
133.06523	2.8
133.10146	4.1
136.56406	0.7
137.09625	1.6
142.07814	2.5
143.18292	0.7
145.10155	0.8
147.08072	2.2
147.11707	8.5
147.72462	0.7
149.09642	4.6
155.08426	0.6
157.10150	7.1
165.12788	3.2
175.11205	6.6
182.99138	0.7
193.12257	18.4
200.99683	0.6
211.13342	2.6
239.73912	0.6
249.14876	1.0
260.70248	0.7
267.06512	1.3
267.10037	1.6
267.15930	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1593
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03951	4.5
55.01871	2.0
55.05514	7.5
57.03442	20.3
61.22718	0.7
65.03952	1.0
67.05508	12.6
69.03439	1.7
69.07075	3.7
71.04983	1.9
74.11381	0.7
79.05499	12.9
81.03425	100.0
81.07060	13.4
83.04987	5.7
83.08627	13.5
91.05486	17.7
91.06022	1.4
93.07042	9.0
95.04977	23.6
95.08605	5.7
96.05521	0.8
97.02898	1.8
97.06519	0.8
97.10166	0.9
105.07034	14.8
107.04961	5.2
107.08630	4.3
109.06541	3.3
109.10175	1.5
111.04380	1.6
111.08092	5.6
113.06008	1.1
117.07065	1.5
119.08596	13.2
121.06573	1.3
121.10155	5.4
123.08102	1.1
123.11715	1.1
129.07019	7.5
131.08582	7.1
133.06538	2.6
133.10132	3.5
137.09613	1.7
142.07797	1.4
145.10196	1.0
147.08112	2.8
147.11685	9.0
149.09657	5.1
157.10124	8.4
157.11168	0.9
165.12781	3.1
175.11200	9.8
193.12280	18.6
211.13266	1.7
229.03297	0.8
238.33418	0.7
246.15298	0.8
249.14861	1.8
267.15930	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	267.1593
Annotation	Alliacolide
Peak:m/z	Relative Intensity
52.01194	0.6
53.03951	4.4
55.01867	3.3
55.05518	8.5
56.96564	0.7
57.03439	21.4
57.34880	0.7
62.84439	0.7
67.05512	12.9
69.03432	2.7
69.07065	4.2
71.04997	1.7
71.55363	1.0
79.05499	14.9
81.03424	100.0
81.07063	18.4
83.04980	6.7
83.08628	17.1
85.06553	0.8
91.05491	21.8
93.07052	7.4
95.04977	22.6
95.08621	5.5
97.02896	2.0
97.06546	1.6
97.10184	1.6
98.98464	1.2
104.58770	0.6
105.07036	17.3
107.04949	5.9
107.08607	4.4
109.06550	3.6
109.10162	2.1
111.04440	1.5
111.08078	8.1
112.08126	0.7
117.07032	2.1
118.70116	0.7
119.04971	1.0
119.08591	12.3
121.06543	2.3
121.10143	5.9
121.93160	0.8
123.08091	2.4
128.06216	1.2
129.07005	8.2
131.08586	8.4
133.06497	2.7
133.10126	4.0
137.06000	1.2
137.09566	1.7
142.07765	2.4
145.10144	1.1
147.08051	1.8
147.11687	10.0
149.09613	4.2
157.10146	8.6
163.11208	0.8
165.12791	2.9
175.11206	8.0
179.88594	0.8
193.12262	18.8
211.13293	2.2
225.18449	1.6
230.15005	0.7
249.14822	1.5
267.06458	1.3
267.15930	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Alliacolide
Peak:m/z	Relative Intensity
50.53137	0.8
53.03947	3.7
55.01874	2.0
55.05516	6.9
57.03441	21.7
67.05168	1.3
67.05506	13.2
67.76955	0.7
69.03420	1.6
69.07059	2.4
70.79144	1.4
71.04987	1.6
79.05503	13.1
81.03423	100.0
81.07056	11.0
83.04978	6.5
83.08626	15.7
91.05482	16.7
93.07055	6.5
95.04373	1.1
95.04973	21.0
95.08612	5.8
97.02875	1.3
97.06557	0.9
97.10172	2.0
99.08083	1.1
105.07043	12.5
107.04969	5.1
107.08601	3.3
109.06541	3.3
111.04490	1.6
111.08083	7.3
115.05467	1.8
117.06989	1.2
119.08588	12.5
119.09370	1.2
121.06506	1.7
121.10148	4.3
123.08106	2.0
128.06261	0.9
129.07021	8.2
131.08536	5.9
133.06523	2.3
133.10172	4.0
142.07809	2.2
145.10161	0.8
147.04115	0.7
147.08058	2.9
147.11707	5.7
149.09633	3.7
151.53056	0.9
157.10124	8.6
165.12808	2.0
175.11186	7.9
193.12244	18.5
211.13347	3.3
249.14819	1.5
267.15924	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	267.1593
Annotation	Rugosal A
Peak:m/z	Relative Intensity
53.03952	1.8
55.01872	2.6
55.05515	13.5
55.86435	0.5
56.96570	0.9
57.03435	6.7
57.07089	1.0
62.75236	0.6
65.03943	1.4
67.05510	40.0
69.03432	2.2
69.07074	15.5
70.67665	0.6
70.67992	1.3
71.05001	3.4
73.06564	0.9
79.05499	23.5
81.03433	7.0
81.07063	100.0
82.07392	0.9
83.04989	8.2
83.08618	8.1
85.02931	0.6
85.06547	4.8
91.05487	29.2
93.07049	13.3
95.05004	3.7
95.08615	26.5
97.02900	0.7
97.06535	6.8
97.10153	1.0
99.08100	4.4
101.06050	1.0
103.05500	0.7
105.07038	36.6
107.04961	1.4
107.08601	10.7
109.06538	5.5
109.10178	1.8
111.04457	0.7
111.08101	1.9
113.06047	0.8
117.07032	1.5
119.08589	29.3
121.06560	0.6
121.10156	18.8
123.08083	5.5
123.11713	24.6
125.09655	0.7
127.07567	2.3
129.07030	2.4
131.08577	1.9
133.06570	0.6
133.10129	4.3
137.09633	1.3
137.13245	2.3
141.09126	1.4
142.07837	0.6
145.10156	1.2
147.11696	60.6
149.09659	1.1
157.08932	0.5
157.10083	2.7
165.12773	23.7
175.11214	2.4
183.13853	0.9
193.12296	2.1
209.07829	1.0
229.14394	1.2
267.12302	3.1
267.15930	96.8
268.16290	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Alliacolide
Peak:m/z	Relative Intensity
50.96970	0.6
53.03944	4.3
54.28038	0.6
55.01869	1.1
55.05511	7.5
55.80228	0.6
56.96563	3.1
57.03439	21.1
67.05504	13.4
69.03423	2.3
69.07070	2.8
71.04996	1.9
79.05496	13.6
81.03421	100.0
81.07058	13.5
83.04987	5.4
83.08624	14.7
86.55536	0.7
91.05486	15.9
93.07045	8.2
95.04972	20.8
95.08603	5.1
97.02888	1.9
97.06534	1.8
97.10194	1.5
99.08137	0.7
105.07034	15.0
107.04964	5.4
107.08604	3.2
109.06525	3.0
109.10127	1.1
111.04464	1.2
111.08099	6.1
114.05367	0.7
115.05433	1.2
117.07046	1.6
117.51510	0.6
119.08584	14.2
121.06522	2.5
121.10144	4.4
123.08052	1.8
123.11689	0.7
125.09586	0.8
128.06245	1.0
129.07010	8.0
131.08583	6.5
133.06474	2.5
133.10138	3.6
137.09654	1.6
142.07794	2.4
145.10136	1.4
147.08052	2.3
147.11684	8.9
149.09619	4.1
151.03912	1.0
157.10141	9.5
163.11195	1.2
165.12729	2.0
167.03799	1.0
175.11191	7.5
193.12236	18.7
204.36681	0.7
211.13307	1.9
249.07901	1.0
249.14853	1.1
255.13983	0.9
267.09079	6.7
267.15906	41.9
285.10107	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	267.1341
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
53.03942	0.6
53.55124	0.3
56.05042	3.0
56.46100	0.3
56.96329	0.5
56.96567	5.4
60.95846	1.2
71.07759	0.4
71.08066	0.4
72.93779	0.5
73.03033	0.3
74.06086	5.6
74.97620	1.8
79.05499	0.5
80.13935	0.4
81.01331	0.5
84.04511	23.8
85.02903	1.4
86.97591	1.9
91.05490	3.4
93.07056	5.4
93.67198	0.4
95.04978	0.8
98.97601	9.7
102.05540	1.1
103.05480	3.2
107.03960	0.4
113.96399	2.2
114.97065	1.6
116.98632	4.2
120.04466	1.1
120.08112	3.7
121.06517	100.0
122.06953	0.8
130.05017	14.5
131.97469	1.0
132.98105	3.1
134.99641	0.7
136.06241	2.3
138.09154	15.8
150.99170	3.8
154.98434	0.4
158.99690	2.0
162.04155	0.6
166.08661	2.1
169.00261	0.8
174.99129	0.9
177.00725	0.7
193.00256	2.9
206.11790	1.3
206.98192	2.9
221.12874	4.7
224.99251	0.7
237.72925	0.4
248.99313	0.9
249.12457	1.0
250.10780	14.7
263.04822	0.4
267.00305	3.5
267.13467	9.2
285.01355	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01880	1.4
55.05516	3.5
56.96572	1.5
57.03429	1.7
57.07080	0.7
67.05510	10.1
69.03436	2.3
69.07067	4.4
71.04991	1.5
71.34377	0.8
79.05498	5.7
81.03423	4.4
81.07063	19.4
83.04988	2.0
83.08625	3.1
84.08170	0.8
85.06559	1.3
91.05483	7.8
93.07043	5.0
95.04978	2.2
95.08607	7.2
97.02895	0.8
97.06533	2.1
97.10183	0.8
98.97585	1.4
100.11246	2.4
103.05473	0.6
105.03423	0.8
105.07034	9.2
107.04991	0.9
107.08617	3.2
109.06541	1.4
109.10178	1.7
111.08083	0.9
114.09216	0.5
117.07003	0.5
119.08587	6.1
119.52847	0.5
120.08087	0.7
121.06512	0.8
121.10138	4.0
123.08095	1.2
123.11720	3.9
123.18964	0.5
127.03925	0.8
127.07562	0.7
129.06998	0.9
131.08562	1.5
133.06474	0.5
133.10124	1.6
135.11752	0.6
137.09639	0.6
137.13310	0.8
142.07767	0.6
145.10161	0.9
147.11696	10.5
149.09705	0.5
151.07614	0.7
152.30702	0.5
152.74840	0.5
157.10037	1.0
159.11729	0.5
163.11360	0.6
163.14778	0.5
165.06981	1.0
165.12747	3.8
167.74170	0.5
169.10135	0.6
175.11224	0.9
179.08559	0.7
185.16464	1.2
193.08432	1.2
193.12082	0.9
195.08566	0.6
196.88763	0.5
203.14404	0.8
203.17924	0.5
209.07848	3.6
221.69632	0.5
225.13176	0.7
231.13840	0.8
235.07483	0.8
247.50235	0.6
249.11127	0.9
249.18726	0.7
267.12073	100.0
267.15906	15.2
267.20917	2.1
268.12460	1.2
285.11847	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	0.5
56.96581	0.3
59.05015	0.5
61.02924	1.2
69.51253	1.9
71.04993	1.7
79.05524	0.8
81.07071	3.1
84.04523	0.8
91.05508	1.1
91.24618	0.3
92.05009	0.7
94.04071	1.2
98.97586	0.7
102.05576	0.4
113.09647	0.5
119.03539	2.9
119.36871	0.3
120.08144	0.4
130.04997	0.8
136.06197	100.0
137.04562	1.2
137.06638	0.3
150.07745	0.5
151.07452	0.2
170.78841	0.3
173.18381	0.3
176.14236	0.3
186.01768	0.4
204.13864	1.3
234.13519	17.4
235.13921	0.3
266.16055	45.5
267.16159	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0653
Annotation	Aristolide B
Peak:m/z	Relative Intensity
55.01877	0.8
55.05511	0.6
56.96552	0.2
57.03439	0.4
61.95115	0.1
64.49238	0.1
67.05505	0.8
68.99796	7.1
69.07075	0.7
70.06128	0.3
71.01360	3.8
71.91147	0.1
79.05497	0.5
81.02980	0.1
81.03423	1.5
81.07063	1.4
83.04980	0.2
83.08620	0.7
91.05492	1.0
91.54321	0.1
93.07056	0.5
95.04960	0.3
95.08619	0.8
97.06531	0.2
97.10177	0.3
103.05447	0.1
105.07050	0.5
107.08613	0.4
109.06523	0.1
109.10153	0.3
111.08080	0.2
111.11723	0.1
115.05452	0.3
119.08588	0.5
121.10148	0.5
123.08076	0.1
123.11709	0.3
128.06236	0.4
129.07033	0.5
131.08565	0.1
133.10117	0.2
135.11684	0.3
137.13181	0.1
137.54707	0.1
139.05443	0.3
141.05949	0.1
141.06998	1.8
143.08553	0.5
145.06506	0.1
146.18176	0.1
147.11679	0.5
149.13287	0.1
151.05527	0.1
152.06181	0.6
153.07005	1.3
155.08562	0.5
157.06470	0.3
157.10161	0.2
161.13205	0.1
164.06310	0.1
165.07007	12.8
165.12679	0.2
166.07532	0.2
167.04898	0.2
167.08698	0.1
168.05716	0.5
169.06500	5.9
170.07074	0.1
171.08054	1.8
175.11168	0.2
176.06232	0.2
177.07010	0.3
179.04860	0.1
179.06143	0.1
181.06482	3.8
182.07082	0.1
183.04390	0.2
183.08035	1.0
184.05203	0.7
185.06006	0.7
192.05774	0.3
193.06497	6.9
193.12221	0.4
194.07239	0.5
195.04340	0.5
195.08052	0.4
196.05167	0.1
197.05986	8.4
198.06755	1.1
199.07549	8.2
200.07922	0.1
202.59732	0.1
203.05006	0.1
204.05716	0.1
205.06505	2.3
205.12076	0.1
206.07227	0.1
208.05182	0.1
210.06827	0.4
211.07553	2.7
213.05684	0.1
217.19548	0.2
220.05225	0.2
221.05983	19.0
222.06644	1.1
223.03929	1.8
223.07368	0.5
224.04605	0.1
225.05473	5.5
226.05931	0.1
235.20566	0.3
237.05482	0.4
238.06261	0.3
239.07039	5.1
240.07353	0.1
241.04967	0.3
243.06602	0.2
249.05475	7.7
250.06166	0.8
252.04250	0.2
265.04971	2.1
266.05768	0.6
267.06522	100.0
268.06863	2.1
285.10083	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.2
55.05517	10.6
56.96566	6.7
57.03442	2.5
61.02923	2.9
67.05503	4.4
69.03431	11.2
70.06584	1.8
71.04999	2.9
71.08635	2.7
71.46961	2.6
71.47314	2.7
72.08134	2.6
79.05496	9.0
81.03410	3.5
81.07069	22.5
83.04968	6.9
83.08627	6.5
84.08178	3.1
85.02853	3.3
85.06526	6.0
87.00840	100.0
91.05486	3.9
94.06572	3.2
95.04961	3.7
95.08611	2.2
97.02834	5.0
97.04105	2.3
98.97610	11.2
99.08114	10.3
105.01187	4.3
105.01872	66.8
105.03378	3.5
108.08185	3.0
109.02890	2.5
109.06547	17.4
110.06039	2.8
113.50276	2.2
116.98641	3.9
117.09185	4.2
122.05978	3.0
123.06754	2.8
127.03919	2.8
127.07562	36.5
136.06198	12.8
138.05521	4.5
140.07083	4.1
145.08615	7.4
150.05540	5.7
150.07742	8.1
150.09132	6.3
151.06339	2.5
152.07085	9.1
153.01843	5.0
162.07780	5.1
163.03868	3.3
168.06607	12.0
177.05495	4.1
178.08635	21.6
203.09113	5.3
206.08168	28.9
218.08064	2.5
219.67284	2.4
231.08669	80.7
248.09204	5.3
248.12971	4.1
266.10110	2.5
266.13907	6.5
266.16406	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	266.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33107	0.8
59.04990	0.9
60.04531	11.9
65.03957	1.6
68.98323	1.0
70.02958	5.2
86.49342	0.8
88.03999	55.5
91.05488	82.9
97.33088	0.9
102.05550	100.0
130.05023	1.8
146.06023	2.4
148.06059	56.8
185.77855	0.9
196.09686	1.5
206.08202	2.5
220.09743	5.8
234.07629	1.3
248.09297	1.7
266.10272	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.7
65.45897	3.0
66.03556	2.2
70.90279	5.4
70.90656	4.8
71.05003	3.2
71.08647	3.4
79.05502	4.0
81.07064	22.3
83.04980	5.1
83.08629	7.7
85.06564	4.1
86.26952	2.8
87.00303	5.3
87.00834	100.0
96.90657	2.7
98.97617	5.4
99.08107	9.9
101.06025	2.5
105.01871	73.8
109.06543	20.8
117.09129	8.2
120.61144	2.8
123.06815	6.3
125.14848	2.5
127.07564	37.7
138.05522	8.2
140.05798	2.6
145.08604	10.6
150.05537	8.6
150.07780	3.2
151.06245	4.2
151.59183	2.5
168.04323	2.4
168.06586	32.4
177.30872	2.7
192.43959	2.8
203.09158	5.1
231.08652	84.9
266.13968	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	266.0362
Annotation	Unknow
Peak:m/z	Relative Intensity
65.74341	0.2
69.25049	0.2
69.95528	0.5
69.95950	0.5
82.99818	1.1
84.44044	0.2
98.20848	0.2
98.97770	0.2
101.00893	6.2
102.84292	0.2
107.84175	0.2
116.52320	0.2
116.98852	0.5
119.01936	8.2
120.19582	0.2
122.97869	0.2
123.98579	0.2
134.99922	0.5
137.02943	0.8
140.98810	1.6
158.99907	5.6
170.93016	0.2
175.03053	0.6
177.00972	20.9
178.01126	0.5
182.99879	1.1
199.02992	0.5
200.02454	0.2
201.00945	4.3
217.04123	3.0
218.04213	0.2
219.02028	23.2
220.02167	0.8
221.02711	0.2
225.00839	2.6
234.00783	0.4
242.03598	0.3
243.02008	13.5
244.02211	0.3
261.03088	100.0
262.03201	2.4
263.03497	0.4
275.04578	0.5
284.04675	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1801
Annotation	Actinolide A
Peak:m/z	Relative Intensity
53.03942	3.1
55.01870	8.7
55.05517	48.9
57.07084	16.2
64.04767	2.4
67.01861	4.8
67.05506	21.3
68.99445	3.1
68.99796	49.2
69.03430	5.3
69.07075	38.9
71.05005	2.8
71.08627	5.2
71.54504	4.4
79.05498	15.8
81.07067	18.6
83.04974	9.0
83.08209	2.9
83.08625	27.2
85.10180	3.5
91.05482	7.2
93.07060	19.9
95.04961	3.1
95.08630	22.2
95.49739	3.0
96.93587	2.3
97.02892	6.2
97.06550	13.4
97.10178	19.5
105.07019	4.7
107.08601	18.9
109.06470	3.5
109.10163	8.8
111.00819	100.0
111.04431	14.2
111.08057	6.2
113.06058	2.8
114.99966	2.6
119.08617	5.3
121.06538	3.4
121.10156	21.7
123.08114	4.0
125.05981	4.6
125.09673	5.2
126.03090	4.5
127.03929	21.4
135.08069	7.7
135.11687	10.2
135.83057	3.3
137.13245	2.6
139.02921	4.2
139.03908	44.6
139.07605	3.0
139.11156	7.0
149.09525	3.1
151.07600	2.8
153.05513	3.3
153.09131	5.0
158.83289	2.6
161.13219	2.9
163.11102	3.0
163.14815	7.1
167.07069	3.6
167.10661	5.5
171.10158	4.1
172.38748	2.4
177.16354	8.6
181.08606	9.3
181.12230	4.2
185.11752	3.5
187.14806	4.6
195.10181	8.8
196.96584	3.4
203.98326	2.5
205.15872	7.1
209.11726	12.5
219.10207	2.6
219.17416	3.0
223.13274	8.8
223.16948	15.2
229.73090	3.0
237.11140	2.5
241.18063	4.5
241.98770	4.0
247.16980	3.5
265.06323	3.0
265.18002	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1801
Annotation	Actinolide A
Peak:m/z	Relative Intensity
53.03942	3.2
55.01854	11.0
55.05515	49.9
57.07074	12.6
67.01831	4.3
67.05511	21.3
68.99444	4.1
68.99793	56.9
69.03420	5.6
69.06731	3.1
69.07072	47.8
69.33652	21.8
71.08624	6.0
72.82227	2.4
73.66215	2.4
79.05497	20.5
81.03417	3.3
81.07066	22.5
83.04955	10.9
83.08167	2.8
83.08624	36.7
85.06516	3.0
85.12255	2.4
87.00821	2.5
91.05470	5.6
93.07056	20.0
93.38988	2.1
95.04953	3.1
95.08617	25.6
97.02860	5.7
97.06553	15.4
97.10159	18.6
105.07024	5.7
107.04973	3.4
107.08624	18.5
109.06503	3.1
109.10125	8.8
111.00816	100.0
111.04437	18.5
111.08061	5.6
111.11712	3.8
119.08470	4.1
121.10159	19.6
123.08072	3.1
123.11693	2.6
125.05994	6.3
125.09673	4.7
126.03078	5.9
127.03927	23.9
131.08533	3.2
135.08014	7.1
135.11668	9.8
137.09630	3.0
139.03914	50.3
139.07520	7.6
139.11137	6.7
145.10098	6.1
147.11676	2.7
149.05878	3.2
149.09621	5.8
149.13332	2.8
151.66287	2.2
153.05446	3.5
153.09079	5.2
163.14870	11.6
167.07028	6.0
167.10631	4.6
171.10138	4.7
177.16348	8.4
181.08591	9.5
181.16031	3.0
187.14786	4.3
195.10159	12.4
195.17427	4.3
196.96597	3.9
199.13124	3.2
205.15900	8.1
209.11673	16.5
223.13260	11.0
223.16891	20.5
241.17979	6.4
241.98694	7.0
244.27945	3.2
247.16948	2.9
265.17944	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.18
Annotation	Actinolide A
Peak:m/z	Relative Intensity
53.03929	3.1
55.01860	6.8
55.05515	44.3
57.07078	11.3
58.19086	1.7
58.99448	1.3
65.03925	1.8
67.01856	5.9
67.05515	16.4
68.99796	54.1
69.03423	3.3
69.06728	2.1
69.07076	39.6
70.09832	7.0
71.04952	2.1
71.08618	5.4
79.05510	12.6
81.03413	2.0
81.07066	21.7
83.04982	8.5
83.08635	31.2
87.00803	2.6
91.05482	4.7
93.07056	17.1
95.04964	3.5
95.08618	19.4
97.02876	3.3
97.06541	14.0
97.10184	15.2
105.07007	3.1
107.04965	3.4
107.08601	11.9
109.06493	2.0
109.10142	5.3
111.00813	100.0
111.04446	14.0
111.08055	4.5
111.11715	4.5
119.08587	2.6
121.06476	2.9
121.10149	16.5
123.08040	3.0
123.11712	2.5
125.05975	4.6
125.09608	4.5
126.03166	7.4
127.03922	19.6
131.08592	4.6
135.08049	5.4
135.11699	9.0
139.03909	45.4
139.07535	1.9
139.11197	5.3
145.10101	3.6
147.11719	2.7
149.05974	2.6
149.09627	4.4
149.13239	1.5
151.07559	2.2
153.05399	3.6
153.09074	4.3
157.08594	2.1
159.11707	2.2
163.11176	4.5
163.14841	5.1
167.06981	4.5
167.10681	3.0
171.10167	2.5
177.09148	1.8
177.12643	1.9
177.16391	6.5
181.08594	7.8
181.12233	2.2
181.15878	2.8
181.62871	1.4
185.11737	1.9
187.14803	4.6
195.10205	9.5
199.13385	1.7
201.16347	1.8
205.15967	7.3
209.11731	14.7
219.14244	1.6
219.17471	1.7
223.13322	7.8
223.16888	18.5
241.18008	5.6
241.98698	1.5
247.16949	3.1
265.00543	2.0
265.14893	3.2
265.17996	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.18
Annotation	Actinolide A
Peak:m/z	Relative Intensity
53.03930	2.5
55.01874	7.1
55.05514	44.4
57.03424	1.0
57.07080	11.4
58.01183	0.9
65.03913	1.4
67.01871	6.9
67.05510	16.7
68.99794	49.0
69.00172	2.4
69.03404	3.0
69.07074	33.2
69.25502	8.3
71.01337	1.4
71.04975	1.4
71.08614	3.7
79.05493	11.3
81.03391	2.4
81.07064	16.3
83.04984	8.5
83.08620	29.1
85.02868	1.1
85.06497	0.9
85.10145	1.7
87.00813	2.0
91.05486	3.2
93.03370	1.2
93.07058	15.0
95.05017	1.9
95.08608	17.3
97.02899	5.7
97.06523	10.7
97.10181	14.9
98.35294	1.0
105.07050	1.6
107.04936	3.7
107.08603	13.7
109.06517	1.7
109.10159	7.2
111.00811	100.0
111.04451	17.2
111.08082	4.7
111.11703	3.4
113.02361	1.8
117.06947	1.0
119.08561	2.8
121.06510	3.0
121.10141	13.4
123.08068	2.8
123.11711	1.8
125.06004	5.7
125.09632	4.9
126.03123	5.2
127.03918	17.7
131.08557	3.4
133.10117	1.9
135.08040	4.4
135.11694	9.0
135.46788	1.3
137.09586	1.5
137.13213	1.0
139.03905	45.4
139.07500	4.4
139.11221	5.0
145.10120	3.3
149.05978	1.7
149.09610	4.3
153.05472	2.0
153.09116	3.6
157.08577	1.3
161.13258	1.4
163.07544	2.1
163.11220	2.4
163.14821	6.9
167.07051	4.3
167.10664	5.0
171.10136	3.4
175.14778	1.0
177.09102	1.7
177.16383	8.1
181.08592	7.6
181.12263	3.1
181.15865	2.0
185.11783	2.4
187.14885	4.9
191.10773	1.5
195.10191	12.3
195.17426	1.5
199.13168	1.1
205.15889	7.9
209.11697	12.4
219.17455	2.7
223.13382	6.8
223.16907	16.5
241.18050	5.8
247.16875	1.6
265.17987	84.9
266.18405	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1549
Annotation	H-VAL-PHE-OH
Peak:m/z	Relative Intensity
52.60848	0.2
55.05519	0.2
56.05037	0.6
56.96581	0.6
57.03430	0.2
57.05818	0.3
67.05504	0.6
69.03439	0.6
69.07064	0.4
69.65769	1.2
70.06595	2.1
71.04978	0.3
72.08160	100.0
73.08492	0.5
79.05500	0.7
81.03426	0.5
81.04547	0.6
81.07073	0.4
83.04998	0.4
84.04507	0.2
84.08144	0.9
85.02921	0.2
85.04002	0.2
86.09717	0.8
91.05499	0.9
93.07065	0.5
95.04985	0.4
95.08623	0.5
97.06535	0.2
98.20876	0.4
98.97608	0.4
103.05482	0.2
105.07032	1.0
107.04967	0.4
107.08598	0.4
109.02905	0.3
109.06540	0.2
117.03368	0.3
117.07067	0.2
119.04938	0.2
119.08607	0.7
120.08144	0.9
121.02892	0.7
121.06525	0.5
122.07175	4.1
123.08053	0.5
131.08554	0.4
133.06453	0.2
133.10175	0.4
135.08069	0.6
136.07663	0.3
144.04762	1.2
145.06543	0.3
145.10170	0.5
146.06032	0.6
147.04454	0.6
147.08031	0.5
159.08080	0.3
159.11708	0.4
161.09656	0.4
163.07527	0.2
165.09251	0.3
175.07562	0.4
177.05518	0.3
182.66100	0.2
187.11244	0.2
188.07045	0.4
201.12691	0.3
203.10757	0.3
205.08640	0.3
205.12228	0.3
211.11197	0.4
217.12036	0.3
229.09834	0.4
247.09686	0.2
247.13550	0.4
265.06836	0.4
265.11795	0.7
265.15521	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	265.18
Annotation	Clitocybulol B
Peak:m/z	Relative Intensity
53.03940	1.2
55.01862	1.3
55.05512	4.1
57.07068	1.2
65.03917	0.9
67.05512	5.0
68.99795	10.7
69.07078	3.9
71.04988	0.7
71.08647	0.4
71.24792	0.5
71.25151	0.8
78.26993	0.3
79.05497	5.8
80.06274	0.7
81.03413	1.3
81.07063	5.2
83.04981	1.1
83.08617	1.6
87.00832	2.9
91.05492	1.9
93.03378	0.4
93.07031	3.4
95.04989	1.9
95.08624	3.0
97.02920	0.6
97.06517	0.6
97.10155	0.8
98.41328	0.4
103.05478	1.6
105.04536	0.5
105.07018	1.1
106.04176	0.4
107.04959	4.0
107.08598	1.7
109.06529	0.4
109.10164	1.2
111.00812	7.8
111.04456	2.2
113.02377	3.2
117.07045	0.9
119.08601	0.5
121.02872	1.0
121.06501	1.1
121.10124	0.9
123.04417	0.9
125.05949	0.4
131.08572	0.5
135.08040	0.5
135.11720	0.5
139.03911	5.3
145.10104	0.5
149.05962	0.8
152.04704	2.2
152.06078	0.5
153.05452	0.6
159.08081	0.4
165.07056	0.7
166.07805	0.6
167.06979	0.4
176.06271	1.1
177.06992	0.8
178.07784	0.5
181.06494	2.2
184.05237	0.4
193.06573	0.4
194.07303	3.0
195.10231	0.7
205.06509	5.1
205.19601	0.4
206.07286	1.3
208.89459	0.4
209.11751	1.0
221.06041	2.5
222.06801	3.3
223.13234	0.7
233.06039	0.5
234.06718	1.5
235.07506	0.9
237.09106	1.4
247.07600	0.7
249.05444	0.5
250.06299	9.0
260.73370	0.5
265.08618	32.1
265.17996	100.0
266.08994	0.8
266.18378	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1548
Annotation	H-VAL-PHE-OH
Peak:m/z	Relative Intensity
53.03946	0.5
55.05516	12.3
56.05042	0.6
56.96577	0.8
57.05817	1.2
65.73634	0.4
67.05515	0.4
69.03444	1.0
69.07079	0.5
69.66855	2.7
70.06601	1.0
71.05013	0.5
72.08160	100.0
79.05504	0.8
81.07068	0.8
83.05004	0.5
84.08149	0.4
85.02928	0.6
86.09734	0.7
91.05493	1.0
93.07072	0.6
95.04955	0.4
97.02898	0.7
98.20821	0.6
98.97608	0.8
103.05483	0.6
105.01889	0.7
105.07043	1.1
106.04920	0.5
107.04962	0.6
107.33006	0.4
109.02888	0.5
109.06498	0.7
111.04474	0.6
116.98660	0.5
119.04971	0.6
120.08115	15.8
121.06573	0.7
122.07167	1.0
123.04510	0.5
123.08035	0.5
127.07654	0.5
131.04942	0.8
135.08049	0.6
136.06245	1.5
139.03938	1.9
145.10167	0.5
147.04446	1.5
151.03938	0.7
157.06459	0.5
163.04004	0.7
166.08649	10.3
173.06015	0.7
177.05493	0.8
201.05502	0.5
203.03467	0.9
208.30641	0.5
219.06590	0.7
219.15077	0.7
221.04510	1.5
231.08725	0.7
247.06184	0.6
265.07114	4.5
265.11926	0.9
265.15323	11.5
265.18002	0.4
266.16229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1436
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
50.40768	3.2
53.03947	4.3
55.05508	13.2
65.03940	12.6
67.05505	30.7
67.41502	3.0
69.03429	30.9
69.07056	5.4
71.04995	3.7
71.24696	9.2
77.03907	4.2
79.05502	21.1
81.07058	16.3
83.04981	12.6
85.02878	3.8
85.71838	3.2
91.05493	58.4
93.03410	8.8
93.07048	53.1
95.04974	48.6
95.08629	24.7
97.02863	4.8
97.06518	9.6
97.49685	3.3
99.04446	7.3
99.14680	3.1
103.05453	5.5
105.07042	76.8
107.04932	4.1
107.08604	27.7
109.06531	34.0
109.10145	9.2
111.04439	34.1
111.08057	10.9
113.06019	13.2
115.05438	12.0
117.07040	21.5
118.80943	4.1
119.08592	100.0
120.08091	4.8
121.02862	14.2
121.06495	50.7
121.10140	11.7
123.04442	5.6
123.08076	27.1
125.06030	5.4
128.06284	4.6
129.07016	20.9
130.07811	9.0
131.08582	53.8
133.06514	12.0
133.10143	21.9
135.08070	88.9
137.09628	19.6
139.03915	9.2
139.07558	8.6
141.06992	8.5
142.07777	13.4
142.46535	4.1
143.08537	18.5
144.09326	4.8
145.06494	15.1
145.10135	31.6
146.07216	6.2
147.08061	50.7
147.11665	18.0
149.06004	5.0
149.09601	12.7
151.07613	4.9
153.07025	4.6
154.07716	5.2
155.08546	8.6
156.09375	8.9
157.06528	7.3
157.10133	22.2
158.07300	23.1
159.08080	37.6
159.11687	45.7
161.09624	46.5
161.13290	5.0
163.07571	6.4
165.09143	34.5
168.09364	9.0
169.10133	5.6
171.08066	10.0
171.11702	7.9
172.08861	18.1
173.06039	4.2
173.09703	20.0
173.13248	20.4
175.07570	82.5
175.11176	41.7
181.10143	5.5
183.11703	13.5
185.09602	6.1
186.10393	9.7
187.11180	45.9
189.09137	11.3
189.12817	16.9
193.08565	22.2
196.08855	9.7
199.11162	17.6
201.12790	34.0
203.10684	49.8
205.12231	7.7
207.09966	5.5
211.11186	25.4
215.14018	3.6
217.12198	29.3
219.13898	7.0
229.12216	29.9
235.13235	7.0
247.13290	45.5
259.96060	3.5
265.14349	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	265.1435
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03946	8.9
55.01871	8.1
55.05508	13.7
56.96564	10.2
65.03944	13.8
67.05506	40.8
69.03438	40.6
69.07077	11.5
70.93076	10.3
71.04977	8.4
72.08160	78.4
76.66768	5.4
79.05499	29.7
81.07059	24.6
83.04952	5.9
84.04539	5.9
86.09663	5.2
91.05487	79.4
93.03383	6.6
93.07053	45.4
95.04977	53.5
95.08628	24.0
97.06509	10.9
98.97579	10.0
99.04472	7.4
100.64405	6.2
103.05447	15.8
105.07043	84.7
107.04955	8.7
107.08600	22.3
109.02864	5.8
109.06525	52.5
109.10188	6.7
111.04471	28.6
111.08079	15.7
113.06019	19.9
115.05505	7.9
115.24313	5.6
116.06249	7.9
117.07033	22.0
118.06571	9.1
119.04935	7.8
119.08590	100.0
120.08111	65.8
121.02879	21.1
121.06517	61.4
121.10162	16.6
122.07164	37.0
123.08096	28.5
125.09647	6.2
128.06161	9.8
129.06993	22.8
130.07793	8.4
131.08594	41.0
133.06445	11.5
133.10112	20.9
135.08063	89.5
136.07599	18.8
137.06001	7.5
137.09650	16.1
139.03929	6.8
141.06999	10.1
142.07799	10.2
143.08554	15.1
144.04773	11.1
144.05742	7.5
144.09315	12.8
145.06508	18.8
145.10158	39.9
147.04402	9.4
147.08047	44.7
147.11676	19.0
149.09666	11.5
155.08594	11.1
157.10118	20.2
158.07292	24.9
159.08052	45.7
159.11719	50.2
160.08868	6.4
161.09628	37.7
165.09151	33.8
165.10365	5.4
169.10199	7.5
171.08130	7.8
171.11659	14.8
172.08835	17.0
173.09624	23.6
173.13274	17.5
174.06747	5.8
175.07571	74.3
175.11121	39.5
178.08682	13.3
183.11749	15.0
185.09685	9.5
186.10364	7.2
187.07544	5.7
187.11171	41.8
188.07040	8.1
189.09077	14.7
189.12712	15.4
193.08607	21.7
196.08719	9.3
199.11259	17.6
201.12779	40.4
202.08678	8.2
203.10638	38.5
205.09734	11.3
211.11157	27.2
217.12289	25.6
219.11491	6.5
219.13646	5.8
229.12132	30.8
235.13371	11.9
242.76482	6.6
247.13138	49.0
265.12027	70.0
265.14865	21.1
267.10934	5.7
278.50153	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	264.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29968	0.6
55.05508	1.2
55.69717	0.6
56.34175	0.6
56.96569	100.0
63.21278	0.6
68.99799	1.4
69.03430	1.2
69.27873	4.5
69.28291	1.0
70.06588	1.7
71.95274	2.7
72.08167	0.8
72.96052	4.8
74.97630	1.0
80.98402	0.6
81.07062	0.7
83.97662	3.7
84.04526	2.2
84.08170	1.0
84.96073	0.8
85.02927	1.3
95.08605	1.0
97.02894	1.3
98.97592	15.0
98.98212	1.2
110.09666	0.8
111.00780	1.1
114.05510	1.3
116.98625	7.6
122.06114	0.7
122.07110	1.4
130.06541	0.8
134.99683	2.8
138.09169	0.8
142.05017	1.3
144.96857	2.1
150.07718	0.9
153.00854	0.7
158.99571	0.9
165.02264	1.7
176.03830	16.0
178.05396	9.4
179.00142	0.9
181.01700	1.4
183.03293	6.1
184.09816	0.7
190.01790	1.6
192.03397	1.7
194.04878	7.0
195.03345	0.8
196.06500	5.2
197.01250	2.6
199.02728	1.2
200.04173	1.0
201.04375	4.0
202.10727	6.2
204.03278	6.7
208.02812	5.6
210.04463	1.6
218.05339	1.0
222.04390	73.4
226.01906	0.9
226.03798	4.3
233.91225	0.9
240.05444	51.6
245.06053	2.9
246.04886	3.2
263.07156	1.0
264.05569	23.2
264.12308	0.9
264.14783	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.58204	1.1
53.03947	2.3
55.01865	1.5
55.05518	15.1
56.96541	1.0
57.07079	11.3
58.26745	0.8
65.03947	1.8
67.05512	87.2
69.07073	17.3
70.99356	2.3
71.04980	1.5
71.08640	7.7
73.11280	1.0
79.05502	22.0
81.07066	100.0
83.04984	1.5
83.08620	14.3
85.06549	6.3
85.10175	2.6
91.04974	1.4
91.05492	17.5
93.07052	24.0
95.04964	2.3
95.08617	89.3
97.06550	8.7
97.10171	6.1
98.97543	1.3
99.08083	5.1
103.96027	1.0
104.99283	14.1
105.07034	11.6
107.08617	12.9
109.06518	2.3
109.10171	44.9
109.10929	2.1
111.08080	4.0
113.09637	3.7
114.59162	0.9
119.08605	11.3
121.10156	18.0
123.08096	2.7
123.11718	19.2
125.09631	1.4
127.11211	1.8
131.08543	1.5
133.10143	14.2
135.11739	8.3
137.09653	2.8
137.13286	7.9
141.12766	1.8
147.11700	9.4
149.13293	10.2
151.11208	1.3
151.14838	8.2
161.13275	10.3
163.14851	7.6
165.16423	8.7
175.14851	9.1
177.16438	2.1
179.17950	4.2
181.15819	1.4
189.16408	3.3
199.06378	1.3
203.17973	1.5
235.14891	1.3
245.22662	31.8
263.16376	1.7
263.23737	66.6
264.24014	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.01470	1.7
52.61858	1.6
53.03944	3.3
55.01860	2.4
55.05304	1.5
55.05514	15.6
57.07082	12.3
58.92868	1.6
59.39219	1.5
65.03970	2.7
67.05512	89.4
69.07072	15.7
69.47686	12.8
71.08624	7.5
76.88284	1.5
79.05128	2.4
79.05503	24.3
81.07066	100.0
83.04979	3.2
83.08631	15.6
85.06544	4.3
85.10191	2.7
91.05486	19.7
93.07058	30.9
95.04969	1.9
95.08615	93.2
97.06535	7.5
97.10155	5.7
98.21452	3.5
99.08091	6.9
104.99270	16.0
105.07036	15.0
107.08587	19.6
109.09468	3.3
109.10168	51.6
111.08087	5.3
113.09666	5.6
119.04974	2.0
119.08602	14.1
121.10152	19.8
123.08066	2.8
123.11720	22.9
127.11196	1.9
133.10144	17.1
135.11693	13.1
137.09584	2.3
137.13263	11.5
141.12708	2.5
146.76666	1.7
147.08186	2.1
147.11705	12.0
149.13283	11.3
151.14844	7.7
161.13278	13.2
163.14818	11.7
165.16400	12.5
175.14796	9.3
177.16406	2.5
179.14307	2.0
179.17982	5.9
189.16403	6.8
191.59027	2.0
193.10114	1.7
245.22661	39.1
245.24991	3.3
248.15274	1.7
263.08533	2.2
263.14203	1.8
263.18384	8.5
263.23734	85.1
263.26596	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	263.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.8
53.52744	1.0
53.93871	1.0
54.93733	0.9
54.94005	1.1
55.01885	1.4
55.05518	19.2
57.03443	1.4
57.07087	9.8
62.12506	1.1
65.03936	2.3
67.05510	88.9
68.59064	1.0
69.07077	18.2
69.95437	4.6
71.05009	3.2
71.06071	1.0
71.08648	7.8
79.05499	24.9
81.07065	100.0
83.04993	2.6
83.08625	13.7
83.73999	1.1
85.06550	4.7
85.10197	2.6
91.05495	17.8
93.07056	23.9
95.05003	2.1
95.08614	86.1
97.06528	9.5
97.10187	7.0
98.44627	1.1
99.08093	6.7
104.99297	3.5
105.07045	12.8
107.08608	14.6
109.06538	11.2
109.10164	41.4
111.08131	5.5
111.11716	2.7
113.09655	2.4
119.08594	14.9
121.10160	16.4
123.08086	4.1
123.11721	18.8
127.11237	1.3
131.08612	1.3
133.10150	17.4
135.11745	8.6
137.05916	1.7
137.09627	2.8
137.13266	7.0
141.12775	2.6
147.11687	9.6
149.13248	7.8
151.07567	4.3
151.11215	1.6
151.14833	8.5
155.14265	2.0
157.10109	1.2
161.03030	1.0
161.13263	10.5
163.14819	6.2
163.75710	1.2
165.16423	9.9
169.77919	1.1
175.14833	9.0
177.16403	1.9
179.17944	3.8
189.16415	3.3
191.98015	1.2
207.02786	1.8
221.13211	2.1
245.22664	32.1
248.15547	1.7
263.17880	3.9
263.20132	45.6
263.23740	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.21842	1.2
53.03947	2.3
55.05512	14.5
57.07080	12.7
65.03951	2.8
67.05510	89.4
69.07072	18.6
71.04997	1.2
71.08632	6.9
74.02869	1.1
79.05497	22.5
81.07063	100.0
83.04991	3.3
83.08622	13.7
85.06542	3.7
85.10194	2.4
87.66538	1.0
91.05489	17.9
93.07050	27.2
95.04960	1.1
95.08614	84.7
97.06531	8.0
97.10186	7.0
98.20743	3.1
99.08086	5.3
104.99280	14.8
105.07041	11.9
107.08610	13.5
109.06503	1.3
109.10166	46.2
111.08080	5.8
111.11700	1.2
113.09644	4.0
119.08588	11.2
121.10158	18.7
123.11716	19.3
127.11166	2.1
133.10127	14.7
133.68770	1.2
135.11710	8.2
137.09621	2.5
137.13283	7.4
141.12764	1.6
147.11693	11.9
149.13275	8.4
151.11227	1.9
151.14844	8.2
155.14299	1.9
158.36278	1.0
161.13271	9.4
162.31287	1.1
163.14838	9.8
165.16408	10.0
175.14864	8.1
179.17955	3.3
181.15913	1.5
185.31918	1.2
189.16383	3.4
217.19479	1.7
229.23254	1.2
233.10165	1.4
245.22687	32.9
247.11703	2.6
248.12428	1.7
263.14655	15.2
263.23721	68.0
266.56244	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1644
Annotation	3''-Hydroxy-geranylhydroquinone
Peak:m/z	Relative Intensity
53.03944	3.1
55.01871	8.1
55.05265	3.4
55.05514	51.4
56.96564	9.8
57.03444	2.7
57.07070	2.3
58.07394	2.1
65.03930	2.7
67.05503	9.4
68.99783	2.7
69.03416	3.6
69.07072	5.1
71.05014	4.0
71.54774	2.2
71.55161	2.9
79.05489	14.3
81.07062	45.6
83.04987	3.9
83.08624	100.0
91.05480	23.2
93.07044	20.4
94.04195	6.7
95.04969	13.0
95.08607	13.4
97.06546	12.0
98.97595	3.0
104.99277	60.8
105.07027	14.0
107.04959	6.9
107.07899	2.3
107.08601	44.8
109.06520	98.4
109.10175	5.2
111.08084	17.5
113.09673	4.0
117.07030	2.9
119.04955	7.6
119.06087	2.5
119.08592	11.0
121.06495	4.2
121.10173	6.4
123.08077	9.6
123.11717	2.5
125.09657	12.5
127.07579	3.5
131.08598	6.3
133.10135	8.1
135.11736	4.5
136.01035	2.3
137.05978	28.8
137.09628	3.4
139.11180	25.4
145.06540	2.6
145.10129	9.4
147.08122	4.7
149.09627	3.7
151.11121	2.6
153.09100	10.2
155.07095	3.2
159.11717	10.4
161.09677	4.0
163.11139	4.4
169.10217	3.1
177.12759	4.6
179.14363	3.8
180.02527	3.3
181.10860	3.1
181.12215	17.2
185.13249	4.2
187.11209	10.3
203.14281	12.4
205.12280	18.0
221.15408	18.6
245.15453	5.7
250.03192	2.8
263.08200	3.4
263.16544	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	263.1645
Annotation	(E)-5-(2,6-Dimethyl-5,7-octadienyl)-3-furancarboxylic acid methyl ester
Peak:m/z	Relative Intensity
53.03951	1.0
54.44641	0.3
55.01875	3.5
55.05516	6.8
56.96575	0.5
57.03450	0.6
57.07072	1.9
65.03945	1.0
67.05511	20.3
68.99796	49.5
69.03433	1.0
69.07076	5.7
69.79962	1.7
71.01378	0.5
71.04988	0.6
71.08635	0.3
71.44933	0.3
77.03930	0.4
79.05496	8.1
81.03429	1.5
81.07063	36.5
83.04988	5.6
83.08630	2.7
85.02925	0.5
85.06559	0.8
87.00832	0.9
87.77921	0.3
91.05490	5.5
93.07050	7.7
95.04971	2.7
95.08614	32.9
97.02914	1.1
97.06538	1.6
97.10197	1.8
99.04462	0.9
103.05508	0.5
104.06226	0.5
104.99284	9.1
105.07042	5.2
107.04994	1.3
107.08622	3.1
109.02888	0.6
109.06512	2.0
109.10165	4.1
111.00813	100.0
111.04423	4.1
111.08111	0.8
111.11720	0.5
115.03956	0.5
115.05473	0.4
117.07041	0.9
119.04922	0.4
119.08596	5.4
121.06535	0.7
121.10159	2.3
123.04418	2.5
123.08067	1.9
123.11717	4.1
125.06004	1.0
125.09682	0.7
126.03130	0.4
127.03929	10.0
129.06981	0.8
131.08615	0.7
133.06506	1.0
133.10138	3.4
135.08116	0.6
135.11713	3.3
137.05995	1.4
137.09669	1.4
137.13278	9.2
139.03917	14.0
139.07594	0.7
139.11171	0.8
143.08553	0.4
145.10101	0.5
147.08072	1.5
147.11696	1.5
149.05925	0.5
149.09668	0.4
149.13278	1.2
151.03998	0.8
151.07547	0.8
151.11319	0.4
151.14873	0.6
153.12802	0.5
157.10181	0.4
159.11719	1.0
161.02966	0.5
161.05963	0.7
161.09624	0.9
161.13252	7.3
165.05490	0.8
165.09158	1.1
167.07079	1.2
171.11786	0.5
173.13318	0.6
175.11249	0.5
175.14833	3.0
177.16353	0.4
179.07056	0.9
179.14328	1.0
181.08649	0.6
181.12193	0.4
183.10161	0.4
185.13283	1.2
193.08629	0.9
193.15930	1.1
195.10152	0.7
198.99092	0.4
203.10780	0.6
203.14311	2.5
207.10225	0.8
207.82938	0.3
217.15881	0.8
221.15331	5.7
239.16472	1.2
245.15388	1.3
245.22667	0.9
263.16428	14.6
263.23795	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	263.1645
Annotation	(Z)-5-(2,6-Dimethyl-5,7-octadienyl)-3-furancarboxylic acid methyl ester
Peak:m/z	Relative Intensity
53.03942	0.7
55.01879	3.3
55.05316	0.5
55.05520	5.7
57.07092	2.5
65.03916	1.3
67.01834	0.4
67.05509	17.5
68.99797	50.7
69.03449	0.5
69.07073	5.2
70.94353	1.1
71.04973	0.5
71.08624	0.5
79.05496	7.2
81.03438	1.3
81.07065	32.6
83.04993	4.9
83.08629	1.9
87.00846	0.8
89.34792	0.6
91.05499	5.5
93.07056	5.9
95.04990	2.7
95.08617	30.8
96.24152	0.4
97.02934	0.5
97.06550	1.6
97.10175	1.4
97.90071	0.5
99.04411	0.6
103.05473	0.5
104.24808	0.5
104.99290	5.3
105.07051	3.2
107.04966	0.9
107.08592	3.5
109.02873	0.8
109.06522	1.7
109.10170	4.6
111.00815	100.0
111.04433	4.0
111.08105	1.1
117.59724	0.5
119.08592	5.5
121.10157	2.1
123.04438	2.9
123.08087	1.4
123.11727	4.0
125.06010	0.8
125.09684	0.6
127.03931	10.9
127.04816	0.9
129.07007	0.8
131.08517	0.5
132.90524	0.5
133.06496	0.7
133.10132	2.9
135.11723	4.0
137.06003	1.4
137.09660	1.1
137.13263	8.6
139.03920	14.0
139.07634	0.6
139.11191	0.7
143.08559	1.0
147.08051	1.2
147.11697	1.4
149.13269	0.8
151.03900	0.6
151.07533	0.9
151.11201	0.6
151.14828	0.7
153.09134	0.4
157.10204	0.7
159.11778	0.5
161.09627	0.6
161.13274	6.2
165.05565	1.1
165.09145	1.6
167.07004	1.1
175.11287	0.6
175.13503	0.5
175.14816	2.7
179.07079	0.9
179.14351	1.4
181.08549	0.8
185.13293	1.0
189.09091	0.5
189.16339	0.6
193.08502	0.6
193.15915	1.1
195.10173	0.6
196.14668	0.5
198.94534	0.5
203.14381	2.5
207.10237	1.0
221.15361	5.2
239.16542	1.6
245.15460	1.2
263.16437	13.0
263.23618	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1642
Annotation	(E)-5-(2,6-Dimethyl-5,7-octadienyl)-3-furancarboxylic acid methyl ester
Peak:m/z	Relative Intensity
53.03930	5.9
55.01866	8.9
55.05516	37.5
62.96518	2.7
67.05170	5.2
67.05503	63.6
67.33851	2.9
68.99795	35.1
69.07073	32.0
69.27155	13.9
69.27575	13.7
79.05504	27.7
81.03398	5.2
81.06589	4.9
81.07059	83.0
83.04964	12.5
83.08602	13.1
91.05485	19.2
93.07057	26.0
95.04977	7.7
95.08617	87.7
97.05915	4.8
97.06536	73.4
97.10149	5.2
104.98639	4.7
104.99284	70.2
105.07021	19.6
107.04986	6.9
107.08585	13.9
109.06493	10.4
109.10152	27.7
111.00795	50.5
111.04451	27.0
111.08096	6.4
117.06994	4.3
119.08598	16.2
121.10098	14.4
122.67767	3.3
123.04433	4.3
123.08085	14.2
123.11717	5.0
125.05997	5.6
125.09609	6.0
127.03917	15.3
131.08534	4.4
133.06471	4.9
133.10110	11.7
135.08008	5.3
135.11697	13.0
137.09581	12.7
137.13257	7.0
139.03909	45.1
139.07497	6.2
143.08530	5.7
147.08034	14.2
147.11681	6.0
149.09636	5.6
149.13306	3.6
151.07507	5.8
153.09123	3.8
159.11641	3.3
161.09650	6.0
161.13260	27.6
163.07552	4.9
165.05489	4.1
165.09128	9.8
167.07069	7.0
167.10661	19.5
175.14781	11.8
179.07048	4.1
179.10619	4.0
181.08598	6.5
185.13254	8.4
193.15904	3.2
195.10190	8.4
199.14760	4.9
203.10751	2.9
203.14279	7.9
207.65034	2.9
209.11700	3.0
215.35011	3.0
217.15810	7.4
221.15382	15.1
245.15379	11.1
262.57166	3.0
263.16415	100.0
263.23660	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	263.1281
Annotation	[R-(E)]-5-[5-(2,5-Dihydro-5-oxo-3-furanyl)-2-methyl-2-pentenyl]-3-methyl-2(5H)-furanone
Peak:m/z	Relative Intensity
55.01880	2.8
55.05496	6.6
56.96570	4.9
57.15625	2.2
57.60494	2.3
67.05503	8.9
68.99790	3.0
69.03417	12.1
69.07068	4.3
69.93870	8.3
70.06586	9.6
71.04993	5.6
77.26513	2.1
79.05479	7.7
80.84747	2.1
81.07068	5.4
83.04977	6.4
85.02888	5.0
91.05503	10.8
93.07032	9.9
95.04990	11.5
95.08599	13.7
97.02886	5.8
97.06539	18.0
98.97582	15.7
99.04475	5.3
99.33908	2.2
105.07022	15.4
107.08591	6.9
109.02832	3.1
109.06525	6.4
111.04433	8.5
111.18548	2.3
115.05453	3.0
116.98606	4.1
117.07011	3.3
119.04826	2.3
119.08595	13.8
120.08075	3.6
121.06503	10.1
121.10137	4.4
123.04428	10.6
123.08079	100.0
129.07042	5.3
131.08566	7.9
133.06491	5.0
133.10144	6.1
135.08029	9.4
135.11705	2.4
137.05954	4.2
139.07536	6.3
141.06958	3.4
142.07780	6.2
143.01910	3.4
143.08574	5.8
145.06526	5.0
145.10115	6.2
147.08046	8.1
147.11693	3.9
149.05968	2.8
156.09343	2.7
157.10147	4.7
158.99620	2.8
159.08054	9.3
159.11684	6.1
161.02975	4.1
161.09630	11.0
163.07547	7.1
165.09117	84.4
167.07019	5.1
171.11662	4.6
173.09644	4.9
174.06767	2.8
175.07556	4.2
175.11156	9.1
177.00714	3.0
177.05513	5.9
184.08917	3.5
185.09610	4.5
187.07568	3.1
187.11179	4.9
189.05466	4.5
189.08981	2.8
189.12619	2.7
197.94858	2.2
199.11281	14.2
203.10689	13.8
205.08611	13.6
206.67557	2.4
207.24513	2.8
209.09741	2.9
215.10765	5.7
217.10075	2.6
217.12192	8.9
227.10756	5.9
233.11713	9.0
245.04411	3.2
245.11852	7.1
245.15186	2.4
263.05490	7.6
263.10229	4.8
263.12875	23.3
263.16467	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	263.128
Annotation	Carmenin
Peak:m/z	Relative Intensity
53.03946	0.6
55.01875	0.7
55.05507	1.2
56.96576	0.7
59.06678	0.5
61.24352	0.4
65.03935	0.5
67.05521	2.0
67.13715	0.4
68.99787	0.5
69.03439	2.7
69.07078	0.8
71.04993	0.7
79.05522	2.3
79.07068	0.4
81.03437	0.5
81.07063	1.9
83.04994	0.7
85.02913	5.4
87.04511	0.5
91.05485	5.2
93.07063	2.5
95.04969	2.2
95.08607	1.0
97.02899	1.3
97.06535	1.5
98.21506	1.4
98.62542	0.4
98.97591	0.9
99.04416	0.8
105.07040	4.2
107.04959	1.0
107.08614	4.3
109.02878	0.8
109.06557	2.9
109.10130	0.6
111.04464	1.2
113.02357	4.0
115.05454	2.9
116.06231	0.7
116.98624	0.4
117.07028	1.9
119.04955	0.8
119.08580	3.6
121.06519	2.3
121.10148	1.0
123.04415	1.0
123.08066	1.4
127.80712	0.5
128.06201	1.0
129.07005	1.2
131.08580	2.3
133.06512	1.2
133.10156	2.1
135.08064	100.0
137.05946	0.8
141.07019	0.8
142.07776	1.2
143.01927	0.6
143.08556	2.7
144.05753	0.6
144.09412	0.8
145.06494	1.2
145.10147	1.4
147.08047	2.9
147.11710	1.5
149.09618	1.1
151.07559	0.6
156.09370	3.1
157.10181	2.3
158.07259	0.8
159.08105	3.5
159.11681	2.8
159.12839	0.5
160.08920	0.6
161.03004	0.6
161.06015	1.0
161.08478	0.4
161.09633	2.5
161.10768	0.4
161.13304	0.7
163.07628	1.5
165.09085	0.6
166.07758	0.6
169.06508	0.6
169.10112	0.6
171.08115	0.8
171.11719	1.9
172.08832	0.9
173.09653	1.8
173.13304	0.6
175.07535	1.1
175.11290	2.4
177.09065	0.5
179.07062	1.1
181.10149	1.1
184.08879	1.5
185.09575	2.0
187.07581	1.6
187.11163	3.0
188.08403	0.9
189.09088	0.8
189.12804	2.1
197.09586	0.6
199.11188	5.8
201.12814	0.6
203.06998	0.6
203.10645	3.8
205.08588	3.4
209.09627	1.0
212.08327	1.5
215.10756	3.3
217.12285	4.3
221.11659	0.6
227.10655	5.4
233.11647	2.2
234.14871	0.6
245.11746	7.6
263.10214	0.6
263.12784	8.8
263.16418	1.2
263.23782	0.5
264.16028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05567	0.6
56.39354	0.7
58.99869	0.9
67.36878	0.6
69.44479	0.7
69.78632	1.3
69.79039	2.9
70.99863	1.7
77.00913	1.9
79.58171	0.6
81.03400	0.8
82.17146	0.8
82.99859	2.0
86.61196	0.7
86.85065	0.6
89.00883	3.7
98.20805	0.8
100.14639	0.8
101.00887	21.7
107.03742	0.7
109.02901	1.2
109.54855	0.7
109.81096	0.7
112.89626	1.8
113.00874	1.0
114.89373	1.2
115.02456	1.5
119.01931	18.2
120.01969	1.2
121.01691	1.2
127.02430	2.0
131.01894	2.5
133.03439	1.1
135.01408	0.9
137.02957	1.0
139.02391	4.9
142.03471	0.8
143.01909	14.2
145.03461	6.6
155.01923	1.0
157.03471	14.9
157.04742	1.3
159.01376	2.8
161.02966	23.5
167.01857	2.1
169.03426	1.2
173.02974	1.7
175.04535	3.1
185.02933	5.9
187.04475	1.6
191.03900	1.1
203.03999	11.2
212.61234	0.8
216.93657	1.1
216.96486	1.1
216.99663	0.8
221.05074	12.4
233.55853	0.9
239.06129	6.1
239.24393	0.7
239.98451	6.0
245.04787	1.1
256.97568	2.2
263.03021	3.6
263.06125	100.0
264.06378	2.2
281.07227	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	263.128
Annotation	Trixol
Peak:m/z	Relative Intensity
53.03938	1.5
55.01860	3.2
55.05501	2.8
55.09867	0.8
56.96559	1.0
61.79725	0.8
65.03928	2.2
67.05509	7.2
69.03090	1.0
69.03434	15.1
69.44064	6.0
71.04976	2.5
72.12490	0.8
79.05500	7.0
81.07059	9.6
83.04987	6.4
85.02898	1.7
87.04472	4.3
88.04808	0.8
91.05486	11.3
93.07043	7.7
95.04974	7.9
95.08592	3.9
95.61100	0.8
97.02899	4.3
97.06538	19.4
99.04460	3.9
103.05477	1.4
105.04514	0.8
105.07042	11.1
106.20616	0.9
107.04968	2.2
107.08605	15.0
109.02908	5.4
109.06528	8.7
109.10146	3.6
111.04449	12.0
111.08081	3.4
113.02368	4.1
115.05457	2.8
116.06185	0.9
117.07008	5.6
118.06510	1.0
119.04961	1.0
119.06081	1.0
119.08588	11.5
121.06516	5.7
121.10129	1.8
123.04447	8.6
123.08079	6.0
128.06247	5.5
129.07016	5.2
130.07819	1.0
131.04961	1.0
131.08578	8.4
133.06480	2.1
133.10114	4.5
135.04480	1.6
135.08063	100.0
137.02321	1.2
137.06020	5.1
137.09590	4.0
139.03888	1.7
139.07527	4.5
141.06978	5.3
142.07805	6.3
143.08578	9.0
144.05673	0.9
144.09326	3.3
145.06482	3.2
145.10114	5.2
146.07291	1.7
147.08046	7.9
147.11681	2.0
149.06010	3.1
149.09613	2.7
151.07510	2.9
153.06981	2.3
154.07774	2.0
155.08533	3.8
156.09348	11.6
157.06465	2.5
157.10136	9.3
158.07269	2.7
159.08049	8.2
159.11693	12.3
160.08850	3.7
161.05920	2.7
161.09645	7.3
161.13226	1.1
163.07521	6.2
165.06985	2.2
165.09134	4.8
166.07776	3.6
169.06519	2.8
169.10104	2.6
170.07225	1.3
171.08151	4.1
171.11693	9.1
172.08868	6.4
173.09641	11.3
173.13245	0.8
174.06721	1.1
174.10378	1.0
175.07520	2.9
175.11182	6.5
176.14325	2.5
177.09113	0.8
177.14671	5.3
179.07137	1.3
179.08533	1.0
181.10121	3.8
182.07155	1.2
183.08130	0.8
184.08871	6.2
185.09615	6.6
187.07510	2.4
187.11195	30.5
188.08344	4.3
189.05495	1.5
189.09100	2.7
189.12781	4.5
191.07031	2.1
197.09625	6.5
199.07550	3.0
199.09474	1.7
199.11194	22.5
201.12796	1.4
202.09857	2.0
203.10672	36.7
205.08691	1.1
205.12326	1.7
209.09616	2.7
212.08316	5.4
215.10680	27.3
217.08714	1.4
217.12253	21.0
221.11674	1.7
227.10689	18.8
233.08179	1.0
233.11749	17.4
235.13292	3.0
245.11749	52.5
246.11963	1.1
263.05548	2.8
263.12793	28.5
263.18402	9.8
263.24103	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89651	0.6
55.05512	2.6
56.96570	100.0
57.07108	0.5
59.62465	0.6
68.99790	1.2
70.98143	1.0
71.23844	1.0
71.95299	1.1
72.96041	1.0
74.97609	18.0
81.07099	0.8
83.08632	1.6
85.02924	1.6
86.97610	8.9
88.99191	0.6
91.05507	0.8
92.98667	1.9
93.07055	0.6
95.59688	0.6
98.97599	4.7
104.98682	1.2
105.07014	0.8
111.00819	2.0
113.66256	0.7
114.97053	4.9
115.00754	2.0
116.98606	2.3
117.49552	0.6
117.77615	0.6
127.00731	1.8
130.05035	0.9
130.06558	1.1
131.00055	0.7
132.98102	16.7
133.01848	1.0
133.02873	0.8
134.09717	2.0
141.02228	4.1
143.03835	6.4
144.08142	1.3
145.01779	0.9
146.06075	1.3
147.04480	0.9
150.99158	40.6
158.99840	0.7
159.03296	3.3
160.05775	1.0
161.04872	41.2
168.05434	0.8
168.55638	1.1
169.00220	16.1
169.04471	1.5
169.06297	2.7
171.04485	0.7
174.00781	1.6
177.00813	0.7
177.04370	3.7
177.94145	0.7
178.04852	0.8
179.03575	1.4
179.05937	16.0
179.07423	1.0
184.06505	1.3
188.07140	1.7
189.00604	1.0
189.05551	0.8
195.05524	2.0
199.03935	0.8
200.26027	0.7
205.03877	4.5
217.03845	1.0
219.05475	3.7
223.04924	4.4
237.06555	0.7
239.02393	0.8
240.31250	0.7
245.04561	2.8
263.04312	9.8
263.09595	1.0
281.02753	0.7
281.05469	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	263.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34946	1.0
66.28713	0.9
67.58013	0.9
70.24467	4.2
70.99848	1.8
77.00896	1.9
81.03416	1.2
82.99850	2.5
89.00880	2.8
98.20869	1.5
101.00278	2.1
101.00892	21.1
103.00646	1.2
112.89616	8.1
113.00857	2.4
114.89334	4.9
115.02401	1.3
119.01152	1.6
119.01936	19.1
120.01991	1.0
127.02422	2.7
131.01912	2.3
132.53461	1.0
133.03429	1.4
133.85703	0.9
137.02963	1.9
139.02411	4.4
143.01912	17.4
144.01936	1.0
145.03462	6.9
157.02260	1.1
157.03491	17.1
159.01364	2.0
161.02974	33.4
173.02986	1.9
175.04507	3.5
185.02956	7.8
203.04037	13.7
221.05074	12.3
239.06169	6.3
239.98465	8.1
240.97963	1.0
245.05139	2.0
263.03418	3.5
263.06119	100.0
264.06366	2.4
271.75360	1.2
281.07147	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	262.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.7
56.05022	0.5
58.02964	18.7
58.06600	2.1
60.04514	2.2
67.05505	5.6
69.07085	4.1
70.06585	2.8
70.12196	2.5
72.08157	0.9
73.60004	0.6
74.06062	0.7
79.05493	4.1
79.09998	0.6
81.07062	16.3
82.06570	1.4
83.08623	1.6
84.00068	0.7
86.06078	1.2
91.05482	2.5
93.07046	12.7
94.06583	1.3
95.04953	1.8
95.08614	17.8
96.08129	3.1
98.06050	3.5
100.07621	4.0
105.07021	5.5
107.08606	13.7
108.08123	1.4
109.06529	0.8
109.10160	11.5
110.05991	2.0
113.60671	0.6
119.08590	5.2
121.10149	7.5
123.11752	2.8
124.07579	3.3
126.09170	1.8
131.08580	1.9
133.10150	4.1
135.11716	3.1
137.08197	1.2
143.08612	0.7
145.10124	1.4
147.11713	5.3
149.13280	5.0
159.11652	1.2
161.08257	1.2
161.13269	3.2
163.14842	2.3
171.11684	1.0
171.57443	0.5
175.14816	1.9
179.09410	0.7
185.13277	0.9
203.17963	11.0
205.19519	2.1
205.48952	0.7
227.17943	1.5
234.22130	0.8
244.20663	3.8
245.19040	2.7
246.11174	0.7
262.21680	100.0
263.22009	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74509	5.4
60.92033	5.1
73.76417	5.2
77.28255	5.0
97.02887	5.7
101.00892	35.1
112.70864	5.7
113.00900	16.9
119.01921	43.6
126.96291	5.2
131.01897	25.0
143.01918	79.3
155.01941	14.0
157.03517	7.8
161.02977	100.0
173.03024	39.9
185.02835	7.6
191.04022	16.4
203.04027	23.2
221.04909	6.4
245.05096	6.3
263.01678	20.7
263.05722	36.3
263.80420	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	263.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46350	27.5
56.63849	21.4
69.60975	24.0
71.23752	53.3
82.66142	22.9
139.49051	24.8
185.06757	25.0
185.08669	25.1
223.74118	26.1
223.90352	24.8
237.77348	24.0
263.01764	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2168
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
51.65353	0.5
55.05506	1.4
57.07068	1.4
58.06588	1.3
58.47648	0.6
58.48003	0.4
63.24184	0.6
67.05489	1.8
69.06728	0.6
69.07067	3.0
70.06593	1.0
71.25468	1.0
72.08154	1.2
79.05479	2.0
81.07065	2.5
82.07393	0.8
83.04893	0.6
83.08620	0.8
91.05493	5.7
93.07047	3.0
94.06554	0.8
94.07401	0.5
95.08617	2.7
96.08131	1.8
96.08970	0.6
96.77579	0.5
98.09714	0.7
99.75524	0.6
104.99274	1.5
105.07057	6.3
106.07359	0.6
107.08598	3.1
108.08927	0.6
109.10190	1.2
112.11238	0.5
114.70338	0.4
119.08566	2.6
121.10153	1.4
122.10500	1.1
123.11763	0.8
131.08562	3.1
133.10158	2.4
135.11633	0.7
143.08549	0.7
144.08142	0.7
145.10146	5.2
147.11707	4.1
148.11198	0.8
149.13222	0.8
159.10507	0.6
159.11716	2.2
161.13290	1.3
171.11682	1.7
173.13306	1.1
178.05865	0.6
185.13271	0.7
186.12805	2.8
187.14851	4.5
188.14368	1.5
189.15182	0.7
190.15842	0.7
192.13814	0.8
200.14323	1.8
201.15094	1.9
202.15944	2.3
203.17964	3.2
205.15843	1.1
216.17442	0.9
227.17970	1.2
229.18269	1.6
244.20631	58.0
245.18837	0.6
262.08173	1.1
262.21686	100.0
263.21918	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2167
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
51.45443	0.9
55.05520	5.5
55.38025	0.9
56.05026	2.8
57.07063	2.8
58.02967	8.3
58.06608	7.2
60.04515	2.0
67.05190	0.9
67.05514	14.0
69.07079	8.5
70.06604	9.7
71.54943	1.2
72.08147	1.6
74.06067	2.8
79.05499	13.8
81.03448	1.6
81.07068	19.5
81.19438	1.0
82.06573	1.3
83.05005	1.1
83.08622	3.6
84.08139	4.4
86.06072	39.4
91.04967	1.4
91.05493	15.1
93.07059	22.6
94.06573	2.5
95.04967	2.6
95.08618	29.2
96.08118	4.2
97.10153	1.4
98.06071	2.3
103.05497	1.0
105.06396	1.5
105.07043	18.7
106.06557	1.0
107.08609	18.7
108.08136	6.2
109.06515	1.8
109.08912	1.2
109.10163	13.1
110.06087	5.4
110.09696	2.5
112.07597	2.3
113.77961	0.9
117.07043	5.2
119.08591	17.4
120.08078	1.3
121.10155	15.3
122.09665	3.0
123.08054	1.7
123.11698	3.2
128.06252	1.6
129.07005	2.6
130.07813	1.2
131.08591	6.3
133.10124	11.1
134.09633	1.5
135.11685	7.9
136.11217	3.9
137.09592	1.0
138.94530	0.9
142.07820	1.2
143.08620	5.6
145.10144	14.1
147.11693	13.7
148.11183	2.0
149.13257	5.7
157.10161	3.3
159.11671	6.3
161.08299	1.5
161.12146	1.0
161.13269	5.9
162.12808	1.7
171.11722	8.0
173.13246	1.8
175.11266	1.2
175.14835	1.3
177.16335	1.2
179.09256	1.4
185.13303	4.6
187.14828	3.3
188.14436	1.3
189.12755	2.2
189.16452	1.7
199.14827	1.3
201.16403	3.7
203.17921	4.7
204.17400	1.1
206.15448	2.1
215.18015	1.3
227.18048	4.7
232.20676	1.9
234.22203	3.1
244.20679	3.9
245.19090	3.6
262.18198	6.0
262.21692	100.0
263.22095	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.6
54.39167	0.5
55.05517	1.2
56.96552	0.9
57.07082	1.2
58.06582	1.7
67.05496	1.8
69.07066	1.6
69.40852	3.6
72.08154	1.0
79.05484	1.9
81.07050	2.5
83.08627	0.8
91.05489	2.2
93.07047	2.3
94.06574	0.7
94.11181	0.5
95.08596	2.4
96.08140	1.6
96.44891	0.5
104.99290	2.7
105.07027	5.2
106.07327	0.7
107.08579	1.9
109.10170	1.3
110.09705	0.7
116.33759	0.5
117.07011	0.9
119.08597	3.2
121.06509	0.6
121.10123	1.5
122.10535	0.7
131.08575	2.2
133.10170	2.9
136.12013	0.7
143.08546	1.5
144.08098	1.0
145.09053	0.5
145.10117	2.8
147.11702	5.0
149.13263	0.7
159.10385	0.8
159.11674	2.1
160.11214	1.1
161.05975	0.9
161.13245	1.3
171.11688	1.6
173.13287	1.0
175.13521	0.7
175.14876	0.8
185.13327	1.0
186.12791	2.0
187.14862	3.8
188.14381	1.4
190.15918	0.8
200.14340	0.8
201.15152	1.8
202.15927	1.9
203.18007	2.9
216.17442	0.8
227.17969	1.1
229.18263	2.3
244.20634	54.9
245.21095	1.0
262.14218	1.7
262.21683	100.0
263.22006	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66613	0.7
55.05507	3.4
57.07077	2.2
57.21723	0.8
58.02977	2.1
58.06581	2.9
60.04525	1.7
67.05507	5.6
69.07069	5.1
70.06586	3.3
79.05499	3.6
81.07057	9.9
82.06593	3.7
83.08610	2.4
84.04522	1.6
84.08112	0.9
88.59048	1.0
91.05522	3.6
91.20203	0.8
93.07046	8.6
94.06569	3.4
95.04981	1.8
95.08621	9.5
96.08123	3.2
105.07047	8.8
107.08606	11.7
108.08128	6.6
109.06571	0.9
109.08920	1.3
109.10168	6.8
110.06054	13.4
110.09682	4.1
111.08047	0.8
112.07621	1.8
117.07016	1.1
119.08597	7.7
120.08109	1.5
121.10143	3.8
122.09684	4.3
123.11678	2.1
124.07618	9.5
124.11239	1.2
125.09653	1.3
131.08589	1.8
133.10115	3.2
134.09663	0.9
135.11705	5.0
136.11220	4.1
137.11963	2.0
137.13251	1.0
138.12785	1.1
145.10098	4.3
147.11697	5.4
148.11172	0.8
149.13289	2.0
150.12767	1.0
152.14404	0.9
154.10081	0.8
157.10150	1.0
159.11670	1.5
161.08299	0.9
161.13206	2.2
162.12833	1.9
163.11244	1.1
164.14351	1.3
171.11757	1.7
175.14891	1.2
180.13806	3.4
187.14856	2.7
203.17976	2.7
204.17464	1.0
206.15364	1.0
218.19041	1.2
227.17963	1.0
244.20674	3.3
245.18932	1.0
262.18268	5.2
262.21677	100.0
263.22089	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02367	1.6
52.48459	1.0
53.03934	4.9
55.01868	1.9
55.05513	19.7
56.96573	1.1
57.03430	2.3
57.07061	4.3
65.03941	1.2
67.05511	54.2
69.07072	16.4
69.45985	9.7
69.61408	1.5
71.04991	3.3
71.08625	1.8
79.05498	73.4
81.07064	56.2
83.04971	2.0
83.08617	8.0
85.06538	2.7
91.05489	34.2
93.07050	100.0
95.04951	4.9
95.08613	40.8
97.06513	3.4
97.10170	3.5
99.08086	2.5
105.04501	1.9
105.06383	2.1
105.07043	24.6
105.07726	1.1
107.08603	55.5
109.06522	2.9
109.10157	17.6
111.08093	2.9
113.09669	1.1
117.07017	7.4
119.08588	20.5
121.10152	51.0
123.08079	2.3
123.11694	5.5
125.09616	2.2
127.11147	1.4
131.08583	17.9
133.10133	13.7
135.11705	41.9
137.13177	1.3
139.11162	1.1
145.10132	18.5
147.11693	11.9
149.02307	1.6
149.09528	1.8
149.12181	2.1
149.13278	27.6
151.11211	1.6
159.11720	9.4
161.13255	13.9
163.14845	14.7
173.13300	10.9
175.14827	4.8
177.16309	3.5
179.14294	1.4
184.27568	1.3
187.14803	7.5
201.16356	3.5
205.15991	1.2
215.17993	2.2
217.19472	1.3
219.17331	1.7
229.10109	1.4
232.18944	1.1
233.22784	2.3
243.21111	26.3
261.12958	2.8
261.22141	99.4
272.35519	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.8
55.05514	15.9
57.03428	1.3
57.07066	5.2
65.03933	2.0
67.05511	39.5
69.06774	1.5
69.07074	14.0
69.70570	1.2
71.04990	4.2
71.08625	1.7
71.54549	1.6
79.05499	52.7
81.07064	47.4
83.04952	1.5
83.08622	6.7
85.06529	2.9
91.05486	28.4
93.07054	78.6
95.04950	2.6
95.08614	38.8
97.06524	3.0
97.10163	3.3
99.08115	3.1
105.04540	2.1
105.07042	19.2
107.04942	1.7
107.07878	2.4
107.08606	46.8
109.06519	3.2
109.10165	14.7
111.08100	3.2
117.06990	7.6
119.08598	14.1
121.09326	2.2
121.10152	37.1
123.11700	4.0
124.75237	1.3
125.09615	2.2
131.08574	15.0
133.10153	14.1
135.11703	38.0
137.09598	2.4
145.10141	16.4
147.11690	11.0
148.88474	1.3
149.02394	1.8
149.13272	26.1
151.11229	1.8
157.48541	1.4
159.11700	11.2
160.94330	1.5
161.13278	10.2
163.14836	16.9
165.12755	1.7
173.13266	9.8
175.14821	2.7
177.16353	4.0
179.14394	1.9
187.14850	6.1
201.16325	2.4
243.21124	23.0
252.63409	1.6
261.10135	1.3
261.12997	6.2
261.22159	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1805
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
50.81155	0.4
57.07083	2.6
59.39785	0.4
63.88269	0.4
68.28105	0.4
69.97402	0.4
70.06600	3.4
71.08630	1.1
71.16528	1.0
72.04514	0.4
77.78409	0.4
82.50132	0.4
84.08186	0.4
87.04473	30.4
88.07632	3.7
93.35483	0.4
106.08633	0.6
114.05520	0.5
114.09184	1.5
116.07040	0.6
117.02493	0.4
118.06553	12.0
118.08656	0.6
119.07321	0.5
132.08095	4.1
132.08954	0.5
132.09277	0.6
132.10197	4.8
133.08855	2.3
134.09669	1.4
146.09668	4.2
148.11157	0.5
150.11243	4.2
160.06195	0.4
160.11240	0.6
176.14359	69.7
177.14664	0.8
186.18594	0.5
189.15224	0.4
193.93369	0.4
197.64871	0.5
204.10233	1.2
216.12422	0.6
218.11768	0.8
218.21111	1.4
230.89626	0.4
262.18039	100.0
262.23785	27.0
263.18341	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
55.01865	0.6
55.05269	1.0
55.05514	15.4
56.96555	0.7
57.03430	1.8
57.07078	3.6
58.02742	0.6
65.03930	2.3
67.05508	44.7
68.72186	0.6
68.99768	0.7
69.06730	0.9
69.07072	13.3
71.04994	2.1
71.08590	0.8
73.54841	0.5
77.03906	1.4
79.05499	57.7
81.03390	0.7
81.07060	47.1
83.04974	1.2
83.08624	8.0
85.06564	3.7
91.05486	32.8
93.07048	76.2
95.04973	3.8
95.08613	35.3
95.09104	0.4
95.09253	0.8
97.06535	4.2
97.10165	2.2
98.97565	0.8
99.08099	4.3
105.04502	1.2
105.07041	21.0
107.08601	48.1
109.06527	1.4
109.10163	14.7
111.00785	0.7
111.08089	3.6
111.11700	1.1
113.09637	0.8
117.07023	8.0
119.06097	0.7
119.07794	1.1
119.08595	14.5
121.10150	45.8
123.08060	2.6
123.11699	4.4
125.09616	0.8
129.07030	1.0
130.07751	0.9
131.08568	15.8
133.10132	13.6
135.11699	35.6
137.09616	2.3
137.13235	1.8
139.11171	0.9
145.10136	15.7
145.11282	0.8
146.68427	0.6
147.11691	13.3
149.13269	28.3
151.11180	1.5
153.12703	0.7
159.11702	10.7
161.05919	0.6
161.13257	12.8
161.69635	0.7
163.11285	0.9
163.13408	1.0
163.14825	20.6
165.12766	1.4
167.82039	0.8
173.13274	10.4
175.14822	4.6
177.16403	5.7
179.14331	1.3
187.14842	8.9
201.16382	3.5
205.15990	0.8
215.17960	1.7
229.05742	0.7
233.22627	1.0
243.21103	31.3
261.22153	100.0
262.22308	0.8
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
51.02377	0.5
53.03947	2.2
55.01865	0.7
55.05514	12.3
55.26420	0.4
56.96571	0.4
57.03431	0.8
57.07075	4.0
65.03940	1.8
67.05508	39.6
69.06723	0.8
69.07072	11.6
69.46572	0.5
69.53555	1.4
69.53969	1.6
71.05011	2.1
71.08616	1.1
73.89056	0.4
77.03941	1.4
79.05498	55.6
81.03415	0.6
81.07062	48.3
81.10494	0.5
83.04981	0.8
83.08622	7.6
85.06554	3.7
91.04893	0.7
91.05486	24.5
93.07049	68.7
95.04980	3.9
95.08614	33.2
97.06548	2.9
97.10177	2.2
99.08092	4.0
103.05464	0.6
105.04588	0.8
105.07037	17.8
107.08601	45.0
109.06522	2.5
109.10165	13.4
111.08083	2.7
111.11722	0.5
113.09640	0.7
115.05428	0.6
117.07011	5.5
119.06049	0.5
119.08591	16.7
121.10149	40.0
123.08074	1.7
123.11711	5.5
125.09666	0.8
129.07059	0.5
131.08578	12.2
133.10135	12.4
135.11700	33.3
137.09644	1.5
137.13243	1.4
139.11188	0.5
143.08667	0.5
144.33096	0.5
145.10121	13.2
147.11697	11.9
149.13266	25.8
151.11191	1.0
151.14839	0.8
153.12791	0.6
159.11703	10.6
161.13264	9.9
163.14835	17.2
165.12788	1.4
173.13284	8.4
175.14838	5.7
177.12834	0.7
177.16425	3.4
179.14360	1.4
187.14825	6.0
189.16443	1.1
191.14357	0.8
201.16377	3.1
205.15913	0.8
215.17958	1.5
217.19702	0.5
233.22621	1.9
243.21097	28.6
256.28445	0.5
261.22156	100.0
262.22418	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01861	0.8
55.05264	1.0
55.05511	14.5
56.96547	0.8
57.03422	1.7
57.07081	4.4
61.52447	0.7
64.57587	0.8
65.03935	1.1
67.05508	45.5
68.47439	0.6
69.06735	0.8
69.07075	12.6
70.99725	1.2
71.04983	2.1
71.08622	0.8
72.05355	0.5
77.03938	1.9
79.05496	62.5
81.07061	53.8
83.04997	1.1
83.08623	7.6
85.06538	3.3
91.04901	0.9
91.05485	29.9
93.07050	78.9
95.04967	4.6
95.08610	34.9
97.06541	3.8
97.10155	2.6
99.08106	3.2
103.05360	0.6
105.04519	2.1
105.07037	19.4
107.08603	55.2
109.06528	1.9
109.10156	15.0
111.08111	3.1
111.11749	0.7
113.09688	1.1
117.07016	5.9
118.92308	0.6
119.08588	17.3
121.10151	47.5
123.08061	1.2
123.11735	4.4
125.09608	1.2
131.08577	15.6
133.10130	13.5
135.08154	1.2
135.11703	35.5
137.09644	1.9
137.13287	1.1
139.93163	0.6
145.10132	14.9
147.10500	0.9
147.11688	12.1
149.02332	0.8
149.09625	1.2
149.13268	29.8
151.11180	0.9
151.14769	0.9
159.11702	11.3
161.13261	13.5
163.11169	0.9
163.14835	19.9
165.12733	1.5
167.14430	0.7
173.13287	10.1
173.14711	1.2
174.13860	0.7
175.14822	4.1
177.12703	0.7
177.16373	5.6
179.14253	1.2
187.14804	7.5
201.16302	3.2
215.17967	2.3
217.19754	0.6
223.11288	0.6
225.03738	0.7
233.22722	1.5
243.21095	33.1
246.90182	0.6
261.22153	100.0
262.22534	1.6
276.19083	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03935	3.8
55.05514	13.7
57.03416	1.2
57.07060	4.0
65.03941	1.4
67.05508	43.6
69.07073	11.7
69.25362	6.3
69.25789	2.3
71.04978	2.5
77.03910	1.4
79.05495	58.1
79.89851	0.9
81.07059	46.0
83.08627	8.3
85.06523	3.8
86.16521	0.9
91.05482	28.7
93.07047	72.0
95.04964	3.5
95.08614	35.2
95.09244	1.1
97.06519	3.0
97.10165	2.8
99.08113	4.2
105.04510	1.1
105.07027	19.5
107.08596	48.8
109.10165	15.6
111.08072	3.2
113.09682	1.4
117.07026	6.6
119.08594	13.7
121.10146	43.1
123.08064	1.7
123.11710	3.8
131.08583	13.6
133.10138	14.4
135.11697	32.8
136.17236	1.0
137.09608	1.8
137.13252	2.0
145.10121	14.5
147.11702	11.3
149.13266	30.1
151.11192	1.2
159.11697	11.1
161.13258	11.7
163.14821	21.3
165.12762	1.5
173.13292	10.4
175.14784	4.0
177.16417	4.9
179.14250	1.6
180.65031	0.8
187.14815	7.5
201.16386	2.9
205.15903	0.9
215.17943	1.6
219.17422	1.1
243.19235	0.8
243.21083	28.6
261.22150	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1488
Annotation	(E,Z)-5-(2,6-Dimethyl-1,5,7-octatrienyl)-3-furancarboxylic acid methyl ester
Peak:m/z	Relative Intensity
53.03943	4.6
55.01865	4.4
55.05523	11.6
57.07064	5.6
57.43784	1.2
65.03942	2.4
65.22034	1.4
67.05510	21.3
68.99796	53.7
69.07072	9.3
69.62891	10.1
71.01346	1.7
79.05499	41.5
81.03397	1.6
81.07066	25.2
83.05006	8.1
83.08614	3.2
87.00826	2.3
91.05482	21.2
93.07052	56.3
95.04980	19.8
95.08613	36.2
97.06548	4.0
97.10183	1.8
98.97610	1.7
99.04436	3.6
105.07050	10.6
107.04954	4.7
107.08601	27.4
109.02878	1.5
109.06518	3.9
109.10157	5.7
111.00813	100.0
111.04447	6.4
111.08076	1.7
117.07001	7.9
119.04898	2.5
119.08617	8.1
121.02844	2.0
121.06514	4.1
121.10151	18.3
123.04424	5.3
123.08041	2.9
123.11679	1.7
127.03921	21.1
127.52900	1.7
129.07050	2.0
131.08569	10.9
133.06474	2.7
133.10184	7.1
135.08043	4.0
135.11705	53.7
137.05988	3.2
137.09612	3.1
139.03894	7.1
139.11163	2.0
145.05167	1.5
145.06453	3.4
145.10124	4.9
147.07971	2.0
147.11671	5.1
149.05959	4.9
149.09584	3.5
149.13235	6.6
150.69373	1.5
151.03923	4.0
151.14752	1.8
155.08501	2.0
157.10114	2.6
159.08087	2.6
159.11685	7.4
161.05966	1.9
161.13254	2.8
161.41911	1.6
163.07544	3.2
163.14764	3.3
165.05438	3.0
165.09094	2.6
167.07007	2.5
167.10643	5.0
173.05989	2.8
173.09579	1.5
173.13292	7.6
177.05473	3.7
177.12744	2.4
179.06992	3.7
179.10596	2.2
187.07539	3.1
191.14313	6.8
197.13191	2.4
201.09094	2.4
201.12834	3.8
207.10127	2.1
215.14262	2.8
217.12259	2.2
219.13824	8.3
233.15508	1.7
235.13329	2.6
237.14864	2.5
243.13820	12.5
243.21101	7.6
261.07639	5.1
261.15009	22.7
261.17853	1.8
261.19217	2.4
261.22086	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	261.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15652	0.6
56.96574	4.0
61.09169	0.7
69.89520	3.3
70.06598	0.8
84.08147	4.6
84.96046	1.0
86.09711	3.3
98.97590	10.7
101.00878	2.9
102.96833	0.9
110.97577	2.4
112.99174	1.2
113.00861	1.9
115.02440	1.1
116.98628	2.9
117.03984	0.9
119.01939	2.0
128.98610	1.7
129.03922	0.7
130.08629	1.1
131.00192	0.9
131.01924	1.8
133.03458	2.0
140.98582	1.7
143.00204	0.9
143.01913	1.6
145.03412	1.5
148.03842	0.8
148.05952	0.7
155.01918	1.7
156.02617	0.7
157.03465	1.1
158.99641	2.1
159.05028	2.2
161.02971	1.8
170.87833	0.7
170.99646	1.1
171.02785	0.7
171.05066	2.4
173.01402	0.9
173.02989	1.4
173.06595	1.1
178.38495	0.8
189.00749	0.9
189.06123	1.0
201.00749	1.5
201.03778	1.4
201.06126	0.9
203.04008	2.2
213.06079	0.7
219.01927	3.3
221.05060	4.4
229.03224	12.5
237.02774	1.9
243.04778	2.7
261.03119	4.7
261.05856	35.3
261.09445	100.0
262.09933	0.9
278.96896	0.7
279.00558	1.4
279.03677	1.1
279.09323	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0585
Annotation	Suprofen
Peak:m/z	Relative Intensity
70.95775	2.7
87.99822	1.2
89.74951	1.3
96.51748	1.4
98.21116	2.3
98.97595	1.7
131.08830	1.3
139.12167	1.5
169.01073	2.0
201.03818	4.0
229.03221	36.4
243.04749	6.5
261.05859	100.0
261.09479	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.076
Annotation	2-Methoxy-6-acetyl-7-methyljuglone
Peak:m/z	Relative Intensity
53.03941	1.1
55.01864	0.9
55.05507	1.4
57.07088	0.7
65.03924	0.7
65.98449	0.7
67.05521	1.4
68.99796	24.5
69.07058	1.4
71.55296	1.0
73.95651	0.7
79.05489	2.0
81.03422	1.5
81.07046	2.8
83.08619	1.3
85.02933	1.1
85.06541	0.8
87.04475	0.7
89.03914	2.5
91.05506	3.1
93.07051	2.5
95.04980	1.4
95.08618	2.5
97.06544	0.9
98.97585	2.0
102.96890	1.2
103.05466	2.5
105.07034	1.9
107.08608	2.9
109.02862	0.7
109.10176	2.2
110.91842	0.6
111.00822	2.5
115.05469	6.5
116.98615	0.6
117.03397	8.5
117.07013	3.0
117.88796	0.6
119.04960	0.9
119.08563	1.9
121.06545	0.6
121.10145	1.5
123.04443	1.5
123.11688	0.6
124.05245	0.9
127.05427	4.1
129.07048	1.1
130.04204	1.2
130.82104	0.6
131.04926	3.0
131.08563	0.7
133.06517	1.3
133.10150	1.2
134.03622	1.2
135.04398	1.0
135.11743	1.1
136.05226	4.6
137.06026	1.7
137.13326	0.6
139.05426	2.5
141.06970	0.8
143.04951	12.3
143.06035	0.5
144.05740	3.2
145.02852	24.3
145.06499	5.9
145.10129	1.4
147.04387	0.7
149.05989	5.9
149.13251	1.0
151.03899	3.1
151.07555	6.3
155.04935	29.3
155.06050	2.8
157.06551	0.9
159.04428	1.7
159.08102	0.6
159.11737	0.7
160.05177	3.3
161.01266	0.7
161.05986	2.1
162.03105	2.6
163.03926	1.9
169.06473	0.7
171.04440	1.9
172.05164	4.4
173.05974	7.0
173.07304	0.8
175.07574	4.0
176.04727	1.1
176.14334	0.9
177.05484	75.9
183.04440	25.3
184.05145	1.4
186.03079	3.9
187.03931	1.1
187.07544	5.3
191.07053	4.4
200.04684	9.9
201.05475	28.3
203.17918	0.7
211.03923	12.9
212.04681	2.6
215.07056	13.3
215.11865	1.3
219.06520	2.0
225.05490	1.3
228.04182	5.3
229.05014	4.3
233.08063	9.2
233.16527	0.6
243.06593	8.6
243.11330	1.3
243.13678	0.9
243.21085	0.9
249.22008	0.6
261.07599	100.0
261.22192	2.3
262.07776	0.9
262.18069	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	261.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	5.8
58.17582	1.0
62.12409	0.9
70.05357	3.4
72.38463	1.1
84.08139	5.1
84.92842	0.9
84.96044	1.1
85.08414	1.1
86.09724	2.9
96.72322	1.0
97.02916	0.9
98.20982	2.1
98.21552	1.2
98.97594	9.6
101.00903	3.7
110.97586	2.2
111.83341	0.9
113.00893	2.0
113.34784	0.9
115.02435	2.0
116.98673	1.7
119.01940	2.9
131.01950	1.7
131.15843	1.0
133.03468	2.4
143.01906	2.0
145.03535	2.3
148.03838	1.4
155.01913	2.5
159.05048	2.7
161.02945	2.6
169.01106	1.9
170.99738	1.5
171.05020	3.7
173.03020	2.5
177.00827	1.3
201.00839	1.5
201.03761	2.1
203.03987	1.5
219.01747	2.8
221.05104	4.9
229.03224	28.2
237.03038	1.9
243.04770	4.9
253.93216	1.0
261.03296	4.7
261.05841	75.9
261.09448	100.0
279.00702	1.4
279.03976	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2059
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05505	9.4
56.43730	2.1
57.07079	3.9
67.05506	11.2
67.66284	2.1
69.07074	33.7
69.49479	17.3
71.04994	23.3
79.05477	7.8
80.87634	2.1
81.07056	21.8
83.04954	5.6
83.08620	8.9
85.06552	23.5
91.05487	11.8
93.07053	13.5
95.08613	23.9
97.06503	4.5
105.07039	30.6
107.08606	23.6
109.06536	7.9
109.10184	15.4
111.08087	12.4
114.36843	2.3
116.06126	2.6
117.07033	5.6
119.07717	2.7
119.08589	56.4
121.10133	15.9
123.08118	3.4
123.11713	25.0
129.07010	4.1
131.08592	16.3
133.10144	34.0
135.08069	12.4
135.11728	3.5
137.09650	2.7
142.07770	2.8
143.08580	8.3
144.09398	2.4
145.10152	38.5
147.11734	22.5
156.09389	4.4
157.10133	12.9
159.11705	26.0
160.12491	3.3
161.13261	33.1
163.11224	3.8
170.10916	3.4
171.11694	18.3
173.13284	10.2
175.11313	3.8
175.14833	87.8
175.16286	5.4
176.15552	7.3
177.12784	4.3
177.16382	2.9
185.13255	13.3
189.12839	4.7
189.16333	6.2
199.14867	5.0
201.16383	23.8
203.14334	11.8
215.18019	5.8
217.19482	2.8
241.19479	14.9
259.20593	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95988	0.8
56.05043	4.0
56.96557	1.6
58.06644	0.7
69.03444	1.2
69.47014	5.5
70.06609	1.0
72.84614	0.7
74.02446	86.6
80.65057	0.6
83.35557	0.6
83.74316	0.7
84.04509	100.0
84.08148	6.1
85.02908	3.4
95.04963	1.4
96.08141	1.0
98.20721	1.3
98.97591	1.6
100.02171	1.4
100.89017	0.7
102.05552	2.1
102.09172	2.3
102.49854	0.6
105.73264	0.7
113.06042	1.5
122.09702	1.2
124.07591	6.3
126.51496	0.8
130.05013	45.4
130.08647	67.4
137.02299	1.2
137.31781	0.7
140.03432	1.0
146.02711	0.9
150.09184	5.4
152.10713	0.9
158.99606	0.7
167.40826	0.8
168.10242	1.4
196.09697	25.9
197.09883	0.8
213.05511	1.5
241.11758	1.8
242.10262	9.0
259.05905	1.0
259.12894	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	259.1693
Annotation	O-1602
Peak:m/z	Relative Intensity
53.03942	0.7
54.93268	0.5
55.05478	0.8
60.68954	0.6
61.77918	0.5
65.03934	1.4
67.05484	0.6
69.07069	9.4
70.71448	1.0
70.71787	1.3
79.05476	1.9
81.07057	3.5
83.08596	0.7
88.17027	0.5
91.05482	7.9
93.07025	1.1
100.65960	0.6
105.07043	7.2
107.04952	1.7
115.05445	1.6
117.07001	5.7
119.04945	50.9
119.08554	2.5
121.06490	1.6
129.06981	4.1
131.08545	1.3
133.06494	6.8
133.10158	0.9
135.04462	3.4
142.07773	4.1
143.08569	1.1
143.62935	0.7
145.06516	4.7
145.10075	0.7
146.55586	0.6
147.04414	10.9
147.08031	0.9
147.11687	1.9
147.76816	0.6
149.05957	2.7
154.94077	0.7
157.10147	4.2
160.08815	1.1
161.05992	20.4
161.09616	1.1
165.05479	19.7
165.06871	1.0
175.11160	4.6
185.09630	10.9
191.10664	1.2
199.14801	0.6
199.58105	0.6
203.10670	100.0
204.11127	1.0
259.16956	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	258.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01878	3.9
55.05515	39.1
56.96558	1.7
57.03436	1.0
58.16534	0.9
60.04529	10.1
67.05486	1.3
69.07076	12.8
70.02962	6.0
70.74459	2.6
79.05483	1.3
81.07077	0.9
83.08623	42.7
83.09125	2.0
85.02918	0.9
88.03996	53.5
89.47436	0.8
93.07022	1.4
97.06559	5.8
98.97591	3.3
102.05548	93.6
105.07022	0.9
106.53477	0.9
107.08563	0.9
107.58353	0.7
111.08089	5.5
111.84673	0.8
116.98609	1.0
117.03330	0.8
130.04976	2.1
137.02321	1.0
138.02716	0.8
138.09151	2.0
148.06056	100.0
155.91539	0.8
163.03897	2.2
173.02397	1.2
177.00720	1.1
180.10158	10.5
198.11232	4.6
208.87646	0.8
212.12825	9.3
234.99089	1.3
240.12311	2.0
253.62076	0.9
258.00784	1.3
258.13382	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03463	0.5
56.05033	0.7
56.96572	7.0
58.99561	0.8
67.04243	2.7
68.05015	0.5
69.03421	1.0
69.22347	2.0
69.22773	2.4
70.06581	1.0
70.98132	2.9
73.01140	0.6
74.00300	0.6
74.00676	7.5
74.02419	0.8
84.04521	3.1
84.08152	3.2
85.02908	1.0
85.04845	0.5
85.08476	1.2
85.38261	0.6
95.04945	0.4
97.02892	1.1
98.03098	0.4
98.21530	1.0
98.97591	2.8
100.02212	100.0
101.00896	0.5
105.11124	0.6
110.97572	0.7
112.99168	0.5
114.05492	0.6
115.00657	0.6
116.98586	1.2
118.03262	3.8
120.01154	0.6
124.99107	1.4
127.03844	0.6
129.10254	1.9
130.05038	0.8
130.08650	0.8
130.10600	1.7
138.05428	0.5
139.60651	0.4
143.00172	3.9
145.01701	0.7
146.02719	98.3
147.03018	0.5
155.54927	0.5
161.01234	3.1
173.01233	0.9
177.04221	0.5
178.05002	0.7
179.02219	0.4
189.00658	0.9
191.02315	1.3
201.00662	0.6
207.01712	0.6
208.02818	1.2
213.06949	20.1
217.00203	1.1
235.01274	1.3
259.07544	22.6
259.13510	1.9
260.70529	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1902
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03924	2.1
55.01861	2.5
55.05500	5.3
56.53238	1.6
56.96568	4.8
57.07080	2.2
67.05507	13.9
68.99813	2.1
69.03439	2.0
69.07066	7.2
71.04990	3.6
71.12106	1.7
72.08134	2.6
79.05506	10.4
81.07074	11.1
83.08620	3.6
85.02919	1.7
90.09233	2.3
91.05486	17.9
93.07056	18.7
95.04997	2.9
95.08617	9.5
98.21559	3.0
98.97585	28.2
103.05467	3.0
105.07040	29.2
107.04941	3.7
107.08592	15.2
109.06532	3.9
109.10164	12.0
111.00816	1.8
111.08086	2.2
115.05518	2.7
116.98640	17.3
117.07039	14.5
119.08585	21.6
121.06479	1.8
121.10155	91.9
123.08067	7.3
123.11742	3.3
125.09643	2.4
128.06264	4.2
129.07056	9.3
130.07724	2.2
130.93251	1.8
131.08580	27.6
133.06512	1.9
133.07661	1.7
133.10135	9.2
134.99654	6.3
135.08060	15.9
135.11670	1.8
137.02361	3.0
137.09622	4.3
141.07019	6.7
142.07794	6.1
143.08572	23.9
145.06487	4.8
145.10132	35.3
147.08087	1.7
147.11673	3.5
149.09648	6.3
155.08551	8.4
156.09268	2.2
157.10147	20.1
159.08076	3.5
159.11691	18.4
161.09566	2.3
161.13251	3.7
163.11186	2.7
169.10164	12.4
171.11690	16.9
173.05992	6.7
173.09630	2.6
173.13284	18.3
175.14865	3.6
177.12781	2.8
183.11696	12.3
185.13269	2.7
187.11209	4.5
187.14867	4.3
189.12721	2.5
197.05984	4.1
197.13283	13.2
199.14850	36.5
201.12761	5.7
209.13246	2.0
210.06677	1.6
211.07544	2.1
211.14842	2.5
213.05457	2.1
213.16420	11.1
215.06995	6.1
215.14319	3.0
215.17987	4.8
229.08615	3.0
232.96577	2.3
239.17940	22.8
256.96301	2.0
257.08115	22.7
257.11520	16.4
257.19031	100.0
257.26663	14.3
258.27972	11.0
274.97559	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	257.1901
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
53.03942	0.8
55.05509	4.4
57.07071	2.1
59.04988	0.8
62.62081	0.8
66.41857	0.8
67.05509	6.1
69.07069	6.1
69.54169	5.4
71.04993	5.7
79.05499	6.3
81.07066	6.0
83.04971	1.2
83.08616	2.7
85.06540	3.9
88.07642	0.9
90.09212	1.2
91.05486	7.9
93.07054	13.2
95.04980	4.4
95.08608	9.3
97.06476	1.2
97.10136	1.0
98.97569	2.6
99.08092	1.2
103.05485	1.6
105.07035	23.4
107.04956	1.0
107.08591	13.1
109.06538	5.4
109.10155	10.6
111.08072	1.9
116.98647	0.8
117.07018	4.3
119.08589	20.0
121.06461	1.2
121.10146	61.0
123.08080	2.8
123.11726	2.5
128.06210	3.0
129.07002	4.9
130.07782	1.3
131.08574	14.3
133.07635	1.1
133.10141	10.5
135.08067	14.2
135.11690	3.4
137.09634	5.3
140.59848	0.8
141.06975	2.0
142.07761	6.7
143.08557	17.2
144.09303	3.4
145.10123	18.1
147.11703	3.4
149.09645	4.2
151.11198	2.3
153.06960	1.1
155.08580	4.1
156.09373	4.2
157.10138	23.5
158.10956	4.8
159.08081	1.2
159.11691	22.7
161.09625	2.2
161.13213	1.9
163.11140	4.4
167.08543	1.5
168.09355	2.8
169.10121	7.9
170.10950	1.5
171.11690	12.4
173.09639	3.1
173.13271	25.0
174.14038	3.9
175.11215	2.8
175.14818	2.4
177.12675	1.0
181.10046	0.9
181.54755	1.1
182.10878	2.4
183.11681	10.5
184.12445	3.1
185.13245	2.9
187.11191	6.0
187.14822	4.1
189.12843	2.0
195.11728	1.9
196.12495	1.1
197.13249	11.2
199.14827	33.8
201.12726	9.2
206.06895	1.1
209.13379	1.8
210.13972	1.1
211.14796	1.6
213.16391	12.5
214.17172	3.6
215.14392	2.4
215.17929	9.0
224.15579	1.9
239.17963	15.9
257.19016	100.0
257.26498	5.9
258.19339	1.5
258.27859	5.0
274.97635	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	21.1
55.05498	29.5
56.96577	36.0
56.96796	9.0
57.03446	32.1
57.07053	11.4
59.05013	6.6
67.05506	96.7
69.03423	16.4
69.07076	50.8
70.40290	5.8
70.70519	6.0
71.04995	75.0
71.55968	12.2
79.05495	90.7
81.03397	10.9
81.07057	93.6
83.04951	19.5
83.08601	23.3
84.08129	7.7
85.02927	11.9
85.06538	20.9
87.12990	5.9
91.05477	97.6
93.07038	100.0
95.04961	22.3
95.08611	79.6
97.06510	33.3
98.97581	77.2
99.04448	8.1
99.08129	9.9
99.79695	6.3
105.07031	93.4
107.04941	10.5
107.08609	72.4
109.06525	30.8
109.10160	48.6
111.04448	8.6
111.08066	11.4
112.99144	12.1
115.07586	10.5
116.98603	30.0
117.06995	21.4
119.04932	29.8
119.08585	91.5
121.06475	16.8
121.10167	47.2
123.04424	19.4
123.08074	42.0
125.09642	15.1
129.07010	27.0
129.34810	6.6
131.00107	8.5
131.08572	66.6
133.10130	69.9
134.99661	8.9
135.08040	25.4
135.11687	16.1
137.02345	18.0
137.09612	45.7
139.03899	11.6
139.07516	16.7
143.08571	41.8
145.10110	37.7
147.04375	25.9
147.08044	10.3
147.11682	38.1
149.01207	8.9
149.09631	34.0
149.13347	6.6
151.11171	30.0
153.09108	17.1
155.08580	10.7
156.07805	7.3
156.09357	8.9
157.08662	10.3
157.10092	33.1
158.99646	25.5
159.11694	29.1
161.09576	13.6
161.13292	50.2
163.03938	6.9
163.11176	13.9
165.12772	9.9
169.10089	7.5
170.10942	6.9
171.11656	15.4
173.01256	12.1
173.13252	9.9
175.14799	19.4
177.00731	14.0
180.76358	6.4
183.08054	8.7
183.11700	13.6
185.13240	60.0
187.14835	10.1
192.72206	7.1
197.13232	19.0
199.14847	25.2
201.09114	9.7
203.14378	43.8
221.15384	56.6
235.09236	9.7
257.04556	10.5
257.08176	55.8
257.13260	9.9
257.15457	23.0
257.19125	53.3
257.22610	18.9
278.14154	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	257.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24390	5.7
53.03944	7.6
55.01871	13.4
55.05505	23.0
56.96558	13.3
57.03445	47.7
61.94032	5.7
67.05514	68.4
69.03418	11.3
69.07069	31.2
71.05000	92.7
71.55824	8.9
79.05501	76.2
81.07067	100.0
82.92056	5.7
83.04971	18.4
83.08614	11.0
85.02870	8.8
85.06563	9.6
91.05487	88.6
93.07055	96.6
95.04965	17.5
95.08627	47.5
97.06532	28.9
98.97602	35.5
99.08078	10.7
100.29301	5.8
105.07041	94.5
107.04958	12.9
107.08611	68.3
109.06543	34.4
109.10171	27.7
111.08075	16.9
113.06007	7.5
114.54204	5.8
116.98626	7.1
117.07014	19.5
119.01752	5.4
119.08600	94.4
121.06490	6.1
121.10164	44.6
123.08071	34.3
125.09635	6.6
127.07594	6.6
129.07011	23.5
131.08582	52.7
133.06520	6.3
133.10149	84.4
135.08083	33.5
135.11690	12.3
137.09610	40.6
139.07535	18.1
141.91690	5.8
143.08592	22.9
145.10114	22.3
147.08044	8.1
147.11737	39.3
149.09639	46.3
151.11169	41.5
153.09100	16.8
157.08638	10.4
157.10130	18.5
158.99670	14.2
159.11697	12.9
161.09618	14.0
161.13289	44.0
163.11192	10.4
165.12778	16.3
173.01241	7.9
173.13336	11.7
175.11166	11.2
175.14790	32.2
177.00677	6.8
185.13286	64.7
190.13406	6.7
197.05949	10.9
203.14349	61.0
221.15405	66.3
225.05469	10.7
229.08643	11.4
239.16312	9.0
257.08234	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	257.175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	26.7
56.94400	10.0
56.96563	19.6
57.03443	46.7
57.90982	9.1
67.05516	51.6
69.03426	11.2
69.07066	30.3
71.05007	69.1
71.63732	8.0
72.74525	7.6
79.05508	66.6
81.07072	75.5
83.08620	12.0
85.02889	18.1
85.06561	9.8
91.05492	85.4
93.07058	64.9
95.04959	16.5
95.08591	44.3
97.06526	32.4
98.97602	100.0
99.08122	10.3
105.07030	81.7
107.08598	75.3
109.06520	26.2
109.10146	19.6
111.08096	9.4
112.99097	10.4
115.07546	10.6
116.98627	20.7
117.07014	19.1
119.08584	77.1
121.10156	55.4
123.08073	23.9
128.98592	12.5
129.07028	18.3
131.08609	44.0
133.10162	62.3
135.08084	23.2
135.11765	14.7
137.09616	23.8
139.07526	23.1
143.08562	20.3
145.10132	22.1
147.08061	11.4
147.11722	49.7
149.09657	21.1
151.11200	31.1
157.08678	8.8
157.10123	22.2
158.99701	27.1
159.11641	11.8
161.09526	9.8
161.13301	47.9
163.11168	16.3
165.12759	18.8
171.11664	9.8
173.13249	13.6
175.14851	25.4
177.00745	11.7
185.13327	44.5
191.14468	9.8
197.13234	10.7
199.14835	11.3
201.00661	11.2
203.14291	59.6
219.01750	10.9
221.08519	11.2
221.15408	51.5
239.09575	16.5
256.91095	9.2
257.16614	10.7
257.19046	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	257.0809
Annotation	Isoliquiritigenin
Peak:m/z	Relative Intensity
53.03938	0.6
55.05502	0.9
56.96575	0.9
65.03950	0.8
67.05503	1.5
68.99794	1.5
69.03443	0.4
69.07056	0.8
71.55098	0.6
79.05503	0.6
79.67648	0.3
81.03422	7.8
81.07053	1.3
87.99646	0.4
91.05494	6.8
93.07034	0.8
95.04965	2.6
95.08605	1.0
96.02110	0.8
96.77406	0.3
98.97587	3.4
102.43080	0.5
104.18407	0.4
105.07018	0.9
106.61660	0.3
107.04972	1.7
107.08617	0.5
109.02901	1.0
109.10154	0.8
111.04472	1.0
115.29505	0.4
116.98622	2.4
117.03391	3.8
119.04953	16.5
119.08608	1.2
121.03949	0.4
121.06512	0.3
121.10152	1.2
123.04436	3.1
127.03934	0.9
129.06992	0.5
131.04970	0.4
131.08569	0.7
133.10114	0.6
134.99664	0.7
135.04442	0.5
137.02348	100.0
138.02672	1.0
141.06946	0.8
145.10143	0.7
147.04424	34.0
155.03419	1.3
155.08606	1.1
157.10132	0.6
159.08099	0.6
159.11707	0.5
163.03891	2.0
165.07002	1.2
169.06464	0.7
169.10117	0.4
171.08023	0.5
183.02121	0.4
183.04550	0.5
183.08070	1.0
187.07591	0.5
197.05928	0.7
197.13139	0.6
199.03860	0.5
199.14833	0.6
211.07545	4.6
223.04431	0.4
227.03468	0.7
239.07082	5.2
242.05739	3.9
257.08105	79.6
257.18942	2.4
258.08444	2.0
274.97528	1.6
278.80872	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0807
Annotation	Isoliquiritigenin
Peak:m/z	Relative Intensity
53.03946	0.7
54.31008	0.2
55.01852	0.2
56.96552	0.2
61.47684	0.1
65.03927	0.7
67.05498	0.3
68.15639	0.1
68.99789	1.5
69.03429	0.4
81.03419	7.5
81.07095	0.2
89.03931	0.2
91.05486	6.6
95.01331	0.2
95.04972	1.8
96.02111	0.9
98.97594	1.1
107.04955	1.5
109.02884	0.9
109.10174	0.2
111.04424	1.0
115.05424	0.3
115.22562	0.1
116.98624	0.6
117.03384	3.2
119.04946	15.9
119.08610	0.2
121.02876	0.2
121.03987	0.3
123.04433	3.3
127.03939	1.0
131.08542	0.3
135.04437	0.6
137.02341	100.0
138.02686	0.6
141.06982	0.5
145.02875	0.2
147.04414	35.2
148.04744	0.3
153.06993	0.3
155.03397	1.6
155.08501	0.5
159.08131	0.3
163.03903	2.7
165.07033	2.0
168.67081	0.1
169.06444	0.6
171.08028	0.7
173.05971	0.4
181.06433	0.3
183.08066	1.2
187.07558	0.7
193.06459	0.3
197.05956	0.9
199.60446	0.1
210.06921	0.2
211.07555	5.0
212.07927	0.2
213.05405	0.1
215.06985	0.3
229.08588	0.4
239.07025	6.0
242.05714	3.2
243.06084	0.2
245.23560	0.2
257.08087	74.6
258.08374	1.1
258.27826	0.2
274.97549	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.0
55.05518	0.7
56.96554	1.1
57.03432	1.9
58.99873	3.9
61.02921	1.1
69.03437	2.1
70.06590	1.5
70.54839	0.9
70.55169	1.3
70.98132	0.8
70.99870	3.5
73.02923	1.4
74.00696	0.7
77.00891	2.1
81.03423	0.9
82.01446	2.5
82.99833	6.5
84.04496	1.2
85.01429	0.9
85.02915	3.9
86.09713	1.9
89.00873	1.5
95.06066	0.8
96.82630	0.6
97.01414	2.5
97.02895	2.9
98.06052	0.7
99.02970	1.9
100.02495	4.1
101.00890	55.6
102.00965	1.3
103.02440	2.9
109.02842	1.5
110.07169	4.5
113.00871	2.8
115.02434	10.1
115.03951	0.7
117.04002	6.3
118.03502	1.1
119.01928	64.5
120.02021	2.6
123.05543	0.8
124.02498	4.0
124.03941	4.5
125.00840	1.0
127.02408	1.8
127.03928	1.4
127.04998	0.7
131.01923	6.4
133.03493	4.7
135.05037	3.4
137.02969	5.8
138.04054	1.0
140.05582	1.5
142.03514	8.0
143.01906	98.7
144.01970	1.3
144.99812	1.4
145.03464	6.8
145.04610	0.8
154.03398	1.0
156.05038	1.7
156.07646	1.0
157.03485	1.9
158.02693	1.1
158.06631	2.5
159.01416	3.3
160.04599	1.2
161.02968	100.0
162.03180	2.3
163.00890	1.2
163.04460	1.3
166.03529	0.9
168.05107	2.3
170.03047	1.2
171.01350	1.4
172.04599	1.8
173.02975	1.0
175.00916	0.8
175.04430	1.9
177.02469	1.6
178.02527	0.7
179.03998	1.0
182.03009	3.8
184.04570	7.7
185.02870	1.4
186.06026	0.8
187.00941	5.3
187.04527	2.5
187.09839	1.1
188.04259	0.9
188.07664	1.0
189.02464	2.9
189.04013	0.9
190.05754	1.2
194.02979	0.9
203.03923	0.7
205.01964	8.6
205.03723	0.9
207.03555	0.8
210.02498	3.0
212.04097	0.9
214.05681	1.8
215.00369	1.2
215.03979	1.6
215.09544	1.2
228.03561	1.2
228.09077	1.9
229.78305	0.7
230.05150	0.9
232.06715	1.3
233.01440	5.1
233.05019	3.2
233.10455	1.7
251.02542	7.1
256.00726	1.7
256.03067	8.6
256.06348	1.2
256.10535	0.8
256.16446	2.9
274.01743	2.1
274.04306	4.0
274.09274	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01858	2.0
56.96548	3.7
57.07066	1.1
62.22698	1.2
67.05495	6.4
69.03407	2.1
69.39274	9.2
70.06570	5.1
71.35593	1.2
71.98715	1.9
71.99102	37.5
72.08141	2.3
74.00639	5.0
74.02450	6.7
79.05469	5.7
81.07033	1.6
84.04484	1.6
84.08141	3.3
85.02883	2.4
86.09693	2.9
88.03986	1.8
90.00115	2.7
91.05474	1.5
95.04977	16.1
96.84470	1.2
97.02901	2.0
98.97556	3.1
101.00899	6.3
106.06537	5.1
107.04992	7.7
108.05732	2.7
109.01175	1.2
109.02886	14.6
109.06474	2.4
115.02459	1.3
117.05821	2.7
117.99611	95.0
119.01936	10.4
121.45323	1.5
123.02651	9.8
123.04433	51.2
124.03968	18.7
124.04882	2.3
124.07519	1.4
125.05972	3.9
126.01083	1.6
134.06026	2.3
135.04344	1.4
137.00572	1.5
137.05989	8.8
138.06761	37.8
139.07532	5.8
141.03714	2.0
142.03551	1.2
143.01917	14.4
149.02922	1.6
150.01318	2.4
150.02577	2.6
150.03737	39.1
151.02080	2.6
152.06895	1.2
155.01616	8.8
159.01376	1.7
160.42125	1.3
161.02966	15.0
163.02118	3.0
165.03697	1.6
168.02408	12.7
169.03191	21.2
170.03888	2.1
173.72807	1.2
176.07004	3.2
177.07849	2.9
178.03227	100.0
179.01610	1.5
179.04008	15.0
180.01064	4.0
180.02419	4.0
180.04744	3.3
182.09584	2.7
183.03212	2.3
183.04752	32.2
193.03140	2.6
195.03487	18.8
206.02702	4.1
207.03528	2.2
210.05855	51.6
223.02776	1.9
224.03625	1.9
224.16483	1.6
227.03746	4.7
229.04965	2.0
238.05362	9.7
238.10661	2.9
256.06366	43.2
256.11719	4.1
256.19171	3.0
256.26367	6.4
257.04340	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51437	9.4
58.99863	21.2
61.02928	14.3
68.82982	8.2
69.03420	15.7
69.07081	11.8
70.88861	16.3
70.89230	16.2
70.99863	12.3
73.65015	9.4
77.00945	9.9
80.36908	10.0
80.95487	10.7
85.02895	26.7
91.02479	9.4
98.98486	82.2
100.02455	13.5
101.00888	52.5
110.07168	25.5
115.02463	25.8
117.04053	16.8
119.01939	89.2
123.05549	47.1
124.03949	31.0
126.05284	14.9
126.98790	26.9
131.01874	23.8
132.89192	9.5
133.03520	12.3
143.01935	78.8
144.99838	83.6
145.03516	37.1
152.03258	15.7
152.52832	10.8
153.68433	10.3
155.01926	10.9
156.97464	22.5
159.05107	13.4
161.02930	100.0
163.00873	14.8
167.06967	11.7
172.99271	23.8
174.98582	12.3
177.02451	34.0
186.04375	14.6
187.00943	15.5
189.02498	12.6
201.00143	18.7
205.01904	22.0
227.08728	12.9
233.01308	19.5
237.08647	11.7
251.02435	21.8
255.06328	32.6
255.09653	40.5
256.03128	33.9
273.09216	14.2
274.04187	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	255.0656
Annotation	5,3'-Dihydroxyflavone
Peak:m/z	Relative Intensity
55.01868	0.2
55.05500	0.6
57.03432	0.2
65.03938	0.6
67.05519	0.4
68.99795	2.5
69.03423	0.6
69.07063	0.7
79.05482	0.8
81.03423	1.2
81.07080	0.9
83.04941	0.2
83.08631	0.4
85.06523	0.4
91.05490	1.5
93.07028	0.6
95.01309	0.6
95.08595	0.7
98.97580	0.7
98.98474	1.4
105.07034	0.2
107.08603	0.6
109.02900	0.9
109.10158	0.6
111.04443	0.9
112.59445	0.2
116.98667	0.2
118.70265	0.2
119.04947	4.1
119.08598	0.3
121.02863	0.8
121.03963	0.2
121.10159	0.4
123.08105	0.3
125.09637	0.5
127.03965	0.3
129.06992	0.3
131.08565	0.2
135.11682	0.2
137.02347	10.5
137.09648	0.2
141.07040	0.4
145.02856	6.5
147.11700	0.2
153.06984	0.4
155.03392	1.7
157.06551	0.2
157.10117	0.3
158.99690	0.2
159.11661	0.3
165.06895	0.3
167.10695	0.3
169.06445	0.6
169.10211	0.3
171.08087	0.4
177.00720	0.2
181.06468	0.6
187.07388	0.2
197.13367	0.3
199.07515	0.5
199.11198	0.3
213.05618	0.4
213.12691	0.2
227.06993	1.0
252.55164	0.2
255.06535	100.0
256.06787	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0654
Annotation	Daidzein
Peak:m/z	Relative Intensity
55.01874	0.9
55.05505	0.9
57.03424	0.3
57.07061	0.5
65.03936	0.4
67.05490	0.9
68.99776	0.5
69.03416	0.3
69.07072	1.1
71.04987	0.2
71.08664	0.2
71.56070	0.2
79.05509	1.0
80.57515	0.2
81.03414	0.6
81.07064	1.4
83.08607	0.6
85.02862	0.2
85.06554	0.5
89.03856	0.2
91.05486	4.1
93.07048	0.9
95.04974	0.4
95.08604	1.1
97.06551	0.4
97.10171	0.2
98.97572	0.3
98.98460	2.2
100.11269	0.4
101.05972	0.3
103.05460	0.2
105.03402	0.3
105.07028	0.4
107.04971	0.2
107.08578	0.8
109.10150	0.6
111.08105	0.3
115.05437	0.4
117.07009	0.3
119.04945	1.4
119.08560	0.4
121.02867	0.7
121.10132	0.8
128.06233	1.0
129.06334	0.2
129.07039	1.8
131.04912	0.5
131.08511	0.3
133.02834	0.9
135.11673	0.4
137.02342	10.7
137.13206	0.2
141.06967	0.4
143.08603	0.9
145.02849	1.4
145.10121	0.3
147.11658	0.2
149.02377	0.6
149.13188	0.5
152.06194	0.9
153.07001	2.7
155.06125	0.2
157.06526	1.7
157.10074	0.3
165.07005	0.4
169.06465	0.5
171.08093	1.8
171.14919	0.4
181.06491	5.1
182.07323	0.3
184.05168	0.8
185.05980	0.3
197.06026	0.6
197.13318	0.2
199.07552	14.5
209.05998	0.9
210.06831	0.3
211.07544	0.5
213.05511	0.3
214.76347	0.2
227.07030	6.7
227.11797	0.2
237.05481	2.8
246.52026	0.2
255.06525	100.0
256.06833	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	8.4
64.48055	2.5
69.03419	4.5
71.54207	4.3
73.02915	7.0
78.17727	2.6
81.03408	6.4
84.04522	4.9
85.02912	9.1
97.02886	5.2
101.00877	9.6
106.02917	3.5
109.02821	3.8
110.07168	4.5
113.00805	3.9
115.02434	4.5
117.02025	3.1
119.01926	11.2
121.78583	3.4
123.04740	4.7
123.05566	64.6
124.03951	11.1
126.05286	35.9
128.01935	4.0
131.01886	5.1
133.07022	3.3
138.05403	3.7
139.03828	4.7
141.05084	6.6
142.03539	13.3
143.01907	13.1
145.03484	4.4
151.04782	7.3
152.03203	42.9
153.05095	12.2
160.04547	8.2
161.03009	9.3
173.02925	5.3
177.02469	3.0
182.99055	4.7
185.02936	7.2
186.04384	9.7
186.06128	3.5
188.04132	3.4
190.05869	3.4
209.07684	30.6
209.10873	3.0
210.07533	27.9
219.07440	10.4
227.08784	100.0
228.07135	15.0
232.04915	4.5
237.08572	23.7
238.06906	9.7
245.09933	4.4
255.09886	74.6
273.09323	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1801
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
55.01867	1.6
55.05521	7.1
56.96563	4.1
57.03442	1.7
57.07080	8.3
63.26706	1.0
66.55968	1.0
67.05183	1.3
67.05511	22.1
69.03415	2.3
69.07075	9.5
71.04996	12.2
71.54941	1.6
78.11251	1.1
79.05506	8.0
81.07064	15.8
83.04978	3.2
83.08619	5.5
85.06523	3.7
89.06004	1.3
91.05485	6.2
93.07046	8.5
95.04980	13.4
95.08616	14.0
97.06514	2.3
97.10164	4.0
98.98475	100.0
100.98928	1.2
105.07046	12.2
107.08603	16.4
109.06522	2.3
109.10157	26.9
111.08115	2.0
111.11735	1.5
113.06048	2.0
116.98627	1.9
116.99484	1.6
119.08606	10.0
121.06487	1.5
121.10148	12.5
123.08061	1.4
123.11724	3.0
125.09659	6.5
127.03916	2.8
127.07572	1.5
127.11176	1.4
129.47345	1.3
131.08577	3.3
133.10146	9.1
135.11707	7.2
136.13416	1.4
137.09607	3.0
139.03912	1.4
145.10094	5.9
147.04399	2.5
147.08044	2.3
147.11694	16.4
149.09592	1.7
149.13290	2.8
153.01819	12.3
153.12685	6.0
157.10107	2.8
157.95332	1.2
159.11667	2.6
161.09647	2.2
165.09137	1.7
165.12758	2.0
171.08228	1.3
174.99286	1.3
175.11238	1.9
175.14783	3.4
179.10699	1.5
189.16400	7.2
191.17949	1.6
193.06612	1.7
193.15939	3.6
197.11703	1.7
199.14812	1.4
207.17511	1.4
217.08676	1.9
217.15822	4.2
217.19473	2.0
229.07417	1.5
230.07706	3.0
235.09698	3.4
235.17032	8.3
248.08980	1.5
253.08672	2.6
253.14226	12.0
253.17967	3.1
272.91000	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1614
Annotation	CI 4
Peak:m/z	Relative Intensity
50.41143	0.4
55.01867	0.7
55.05515	1.2
56.05010	0.6
56.96542	0.5
57.03436	1.3
68.05049	0.6
70.06600	17.0
70.36076	1.0
70.36474	1.0
73.02937	0.6
79.05499	1.2
81.03413	0.8
81.04520	0.8
81.07068	3.8
81.29523	0.5
82.05322	1.2
82.06585	0.5
83.06113	5.5
85.02901	0.6
93.04526	3.6
95.06100	8.2
97.07661	1.1
98.06061	16.2
98.97584	0.7
98.98479	2.9
101.00898	0.9
106.08606	0.5
107.06062	0.9
110.07181	28.4
111.05569	0.7
112.08746	1.3
119.01917	1.4
120.08109	1.0
121.08469	1.0
122.09676	1.9
123.04404	0.7
125.07122	16.4
136.06200	0.5
137.93941	0.5
139.03865	0.5
150.09190	0.7
154.07341	1.2
156.07678	1.6
157.03485	1.1
158.06584	0.9
159.02869	0.8
161.02948	0.6
163.12318	11.8
166.13408	1.6
167.11815	19.7
170.99037	0.6
176.07742	0.5
180.05193	1.0
180.12540	0.9
185.02943	0.9
188.92471	1.0
190.13414	5.7
193.13341	1.0
194.12915	9.5
195.11311	100.0
196.11560	1.0
203.04013	1.9
208.14474	19.7
208.16483	1.0
209.12932	0.6
210.16078	0.6
231.03409	0.7
237.13557	4.1
254.08890	1.5
254.16307	69.3
255.16251	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1435
Annotation	a ubiquinol
Peak:m/z	Relative Intensity
50.37278	0.7
53.03932	1.9
55.01627	0.8
55.01871	8.5
55.05505	7.6
56.96553	3.3
57.03425	3.2
57.07071	2.1
65.03950	0.8
67.05507	29.6
69.03429	5.1
69.07069	8.9
71.04985	3.9
78.51412	0.7
79.05492	13.8
81.03397	5.2
81.07058	30.5
83.04979	5.5
83.08609	2.2
85.06547	3.6
89.10234	0.9
91.05481	28.2
93.07045	10.1
95.04988	3.8
95.08614	4.8
97.06517	2.6
97.10178	1.0
98.98469	100.0
99.04446	1.3
105.07034	22.3
107.04968	1.4
107.08595	17.8
109.06523	3.1
109.10161	35.1
110.82103	0.7
111.08067	1.0
113.05998	1.3
116.99492	1.9
117.07012	1.6
117.86027	0.8
119.08585	4.1
119.91012	0.8
121.10169	1.4
123.08094	1.2
123.11723	6.7
127.07523	1.1
128.06187	1.0
131.08537	1.7
133.06493	1.1
133.10135	41.2
135.07959	0.9
143.08507	2.3
151.11195	22.6
161.09613	3.0
169.12221	2.5
174.99202	1.6
176.98903	2.0
179.10622	1.4
183.11583	1.0
195.11662	1.0
197.11716	1.3
215.73315	0.7
244.68340	0.8
253.14337	72.5
253.19690	2.4
270.05911	0.8
271.08530	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1437
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
53.03935	2.4
55.01880	9.4
55.05517	7.0
57.03432	3.7
57.07058	3.2
65.03929	2.1
67.05510	39.2
69.03421	4.5
69.07076	10.4
71.04979	3.4
71.55752	2.1
79.05494	15.3
81.03417	5.0
81.07062	35.6
82.24387	1.0
83.04967	6.3
83.08607	3.6
85.06551	4.9
91.05486	25.2
93.07050	10.6
95.04969	6.0
95.08611	8.9
97.06513	2.9
97.10147	2.0
98.98474	66.8
99.04446	1.9
99.35028	0.9
100.98888	1.1
105.07038	27.1
107.04955	1.2
107.08604	21.0
109.06511	5.0
109.10166	37.0
109.14924	0.9
111.04475	1.6
113.05982	1.4
117.06997	1.6
119.08593	2.8
123.11718	7.4
127.07570	1.9
131.08603	1.2
133.10141	47.9
144.93811	1.0
151.11201	25.9
161.09616	2.5
167.12196	1.2
169.12193	5.3
176.98894	1.0
253.14359	100.0
254.14670	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01864	3.1
55.05519	5.4
56.05017	1.7
56.96338	1.1
56.96571	13.3
57.03445	5.2
57.07100	1.4
59.08102	0.9
60.04512	1.5
60.95849	1.5
61.02921	4.3
61.75436	0.9
67.05503	2.2
67.08454	0.9
68.05048	1.3
69.03437	15.4
69.07064	1.3
70.06590	8.3
71.04990	1.9
71.54678	1.3
72.08139	1.6
73.02905	3.2
73.06564	15.2
79.05524	1.2
81.03417	5.7
81.07060	1.6
83.05042	0.9
83.06108	1.6
84.04498	3.1
84.08149	7.5
84.96036	1.7
85.02910	60.1
86.09703	2.8
87.04469	3.5
91.03979	2.3
91.05477	2.5
93.07045	1.4
95.04948	2.6
96.08111	1.1
97.02901	15.2
98.39923	0.9
98.97570	9.4
98.98471	100.0
99.04469	2.2
100.02489	2.6
100.98901	1.1
101.00890	3.0
101.02354	1.0
102.96877	4.4
103.00620	1.2
107.04950	2.3
109.02884	7.4
109.10147	1.4
110.06030	2.3
110.07171	10.0
111.04469	1.1
112.07613	1.9
112.74472	1.3
112.99158	1.2
113.00883	0.9
115.03959	1.2
116.07155	0.9
116.98632	4.1
116.99442	1.4
118.03535	1.3
118.99142	1.1
119.01951	6.0
119.04953	2.1
120.08123	8.5
120.97892	2.3
121.01675	1.2
122.06004	1.1
123.04417	2.1
124.03936	1.0
124.99082	1.2
127.03918	11.7
128.98589	2.0
129.10245	2.7
131.00134	1.6
131.01895	2.5
134.06003	1.7
134.99532	1.2
136.07584	5.2
136.93141	1.2
137.02885	1.1
139.03935	1.4
143.00130	2.4
145.01695	1.6
145.03473	1.8
145.04970	9.8
146.99640	1.4
147.04393	1.4
149.01184	1.1
150.05548	1.7
152.07062	2.2
154.94225	2.5
156.02615	1.4
156.07710	2.5
157.03494	3.7
158.99664	2.4
160.02803	1.3
161.01263	1.6
161.02965	2.0
162.05437	8.4
162.86287	1.0
163.02728	1.5
163.12259	2.0
165.05460	1.6
166.03265	3.7
166.04942	1.4
170.99747	1.4
172.95245	4.9
173.02895	2.2
174.99234	1.9
176.99022	2.1
177.00568	2.0
179.08337	1.2
180.07039	1.7
182.08134	3.4
184.04506	2.4
185.02942	2.8
185.07587	1.2
186.06105	5.4
188.92473	1.2
189.00716	1.2
190.04977	2.0
190.96265	1.7
191.08562	2.4
195.11327	5.3
202.05571	1.4
203.03943	2.4
204.07195	6.3
207.08107	1.4
208.04607	1.0
208.08444	1.4
208.14499	2.2
219.01711	1.5
219.08070	2.0
229.92976	1.3
230.05116	9.8
235.06720	1.7
235.11856	1.3
247.02605	1.1
248.06219	2.2
252.92221	1.2
253.03127	3.4
253.07996	4.0
253.13651	2.4
254.15196	2.0
271.04205	11.8
271.06635	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1071
Annotation	2,4-dihydroxy-6-(4-hydroxy-2-oxopentyl)-3-methylbenzaldehyde
Peak:m/z	Relative Intensity
55.01873	2.0
55.05521	1.1
56.96554	2.4
57.03430	2.3
57.07081	38.9
67.05502	5.0
68.99786	1.9
69.03432	2.0
69.07061	2.2
79.05496	5.5
81.07076	4.1
83.04931	0.9
85.02916	1.3
85.06550	6.3
87.00831	2.4
91.05489	4.1
93.07049	3.5
95.04973	2.7
95.08606	2.6
97.02873	2.4
97.06528	0.9
98.98474	100.0
103.05460	4.3
105.07033	3.3
107.04943	2.9
107.08605	2.0
109.06522	1.1
109.10128	2.5
116.98626	1.0
116.99516	1.9
119.08585	1.9
120.08134	1.3
121.06538	5.3
121.10098	1.0
122.12844	0.8
123.04420	4.8
123.08018	1.4
127.03961	1.1
129.06935	1.2
131.04903	2.6
133.10133	2.4
135.08032	2.7
141.05435	1.1
147.04379	1.0
147.08128	0.9
148.02104	1.0
149.05969	2.0
151.03912	18.5
151.07550	1.2
160.05185	1.1
161.05969	2.6
161.09604	1.3
163.07576	1.8
165.05516	6.9
165.09082	1.1
167.10692	1.2
173.94757	0.8
174.06680	1.7
174.99149	1.6
175.07585	1.9
176.01669	3.0
176.03198	1.3
176.98964	2.2
177.05493	1.6
178.06293	3.1
179.03482	4.2
179.07141	1.0
185.03984	1.2
189.09096	4.3
193.01909	1.3
193.04961	1.0
193.08586	3.7
197.11795	1.2
207.10191	16.8
208.04282	2.9
217.08633	3.0
217.12132	1.2
235.09682	24.6
235.13217	1.0
253.04916	1.1
253.14227	6.4
253.18018	1.0
254.04871	3.3
254.15225	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26748	1.4
56.96564	4.2
57.03450	1.5
60.04536	9.1
69.03432	7.0
69.15706	1.2
70.06602	2.5
71.04991	4.9
71.46424	2.1
72.04514	3.3
72.08150	1.5
79.05503	3.2
84.04523	1.8
84.08148	3.6
85.02914	3.3
86.06095	3.3
86.09721	1.7
87.04479	19.9
88.07652	1.9
91.05485	10.8
93.07047	1.6
95.05001	2.0
96.04514	1.8
97.05267	1.3
98.98476	55.7
103.05482	7.8
103.06203	2.0
105.07036	6.6
107.04977	2.7
113.06017	2.3
115.05486	1.9
117.05778	1.8
117.07028	3.9
118.06561	7.1
119.07335	18.8
120.08116	55.2
124.03951	2.0
128.06235	2.4
129.06967	2.7
130.06523	5.0
131.04976	3.4
131.08571	2.1
132.08086	8.3
136.06197	41.8
143.07405	2.8
143.08571	6.3
149.06015	2.1
153.07011	4.2
155.07280	4.4
158.09656	9.0
160.07500	1.5
162.07780	1.8
166.08653	53.5
168.08144	2.9
170.09650	26.2
176.10701	14.1
188.10699	22.8
205.98796	2.3
206.11775	100.0
208.12282	2.1
229.00180	5.2
234.11255	3.6
247.01102	3.3
252.08693	1.4
252.09840	1.9
252.12349	21.1
252.16087	4.2
252.23166	1.9
253.05382	1.8
253.12140	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1073
Annotation	Pyrenochaetic acid B
Peak:m/z	Relative Intensity
51.62767	0.7
53.03987	1.4
55.01929	2.9
55.05565	4.6
56.96620	1.9
57.03491	2.5
57.07135	4.6
65.03983	0.7
67.05509	8.0
69.03497	2.9
69.07132	2.2
70.06632	0.9
70.81941	0.7
71.05035	1.8
71.55821	0.9
73.02941	1.1
79.05508	4.5
81.03478	2.1
81.07065	6.8
83.05033	1.8
83.08698	2.4
85.02895	3.5
85.06554	6.6
87.81682	0.7
91.05489	10.5
93.07053	4.7
95.05042	2.7
95.08607	4.2
96.08200	0.8
97.02953	1.7
97.06569	1.3
97.67400	0.6
98.06120	1.3
98.09767	0.8
98.97578	3.7
98.97764	4.0
98.98473	73.4
99.04539	0.8
100.11277	5.4
105.07042	9.9
107.05031	2.7
107.08612	3.3
109.02947	1.3
109.06496	3.5
109.10247	2.5
111.04510	1.1
111.08184	1.0
115.05543	1.0
116.99576	1.4
117.07112	1.8
119.05046	2.2
119.08568	4.5
121.06567	1.6
121.10141	1.2
123.04444	3.5
123.08161	2.1
123.11749	1.3
126.09329	0.8
127.03983	1.7
128.06232	4.0
129.07039	1.4
131.08665	1.6
133.06580	2.8
133.10144	9.4
135.04454	2.3
135.08151	2.2
135.11737	1.3
137.06058	2.6
137.09695	1.5
139.03920	1.2
143.08563	4.5
145.06546	3.0
147.04425	39.4
147.08061	5.0
147.11751	2.0
149.06012	1.0
149.13329	0.9
150.03133	1.3
151.03888	4.5
151.07634	1.0
151.11232	1.0
153.01918	1.6
161.02467	1.0
161.05991	5.8
161.09642	7.4
163.03955	1.9
163.07619	2.5
165.05490	7.4
168.13911	1.7
171.08044	5.3
173.06052	2.2
174.06833	2.1
174.99341	1.2
175.04051	0.8
175.07526	6.5
175.11176	0.9
177.05464	6.6
177.14746	2.1
179.07111	2.6
179.10669	1.6
184.05280	0.8
185.16518	3.3
188.04741	3.1
189.05579	1.4
189.09129	24.5
191.07066	3.9
192.07895	1.7
193.04958	1.3
193.08620	11.6
195.12079	1.1
197.11896	1.0
199.07591	5.1
202.06320	0.9
206.05821	1.5
207.06558	1.2
207.10120	4.5
211.14445	1.0
217.08630	42.5
221.17322	3.1
235.09668	100.0
236.09897	1.4
253.08678	1.7
253.10722	30.0
253.14247	1.6
253.19949	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	252.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	1.0
66.80859	0.5
69.43075	4.4
70.02969	2.9
74.02444	23.5
75.30176	0.5
81.07062	0.9
84.81173	0.5
88.03995	47.9
91.05486	100.0
96.52942	0.5
98.02415	0.7
98.98482	1.8
105.03387	0.7
116.03455	17.8
119.03578	0.8
123.01357	0.5
130.10141	0.6
134.04494	58.8
136.06189	36.0
146.06020	1.0
158.49309	0.5
172.79849	0.6
206.08180	2.3
234.07742	4.1
234.13522	5.7
252.08884	1.6
252.14536	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	252.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17652	0.6
56.96568	3.3
70.67133	0.7
70.67474	1.5
74.46048	0.7
79.05514	0.8
86.09713	0.8
87.00817	2.2
91.05489	0.9
93.07049	1.9
98.98473	5.9
103.05471	6.9
118.06543	10.8
120.08112	100.0
128.04974	1.6
136.06192	16.4
139.13556	0.7
146.06009	16.8
148.07597	0.7
164.07121	1.0
166.08731	1.8
185.04895	2.7
188.07076	18.9
192.06569	1.7
203.05963	2.2
206.08134	55.5
211.02776	1.0
229.03841	3.3
234.07716	0.8
234.13568	2.1
234.35617	0.7
247.04977	1.8
252.08829	0.8
252.14516	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	251.1644
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.03943	0.8
54.41442	0.5
55.01875	0.9
55.05516	3.2
56.96564	1.7
57.03439	0.7
57.07068	2.2
59.04990	1.0
67.05512	5.2
69.03429	2.7
69.07067	2.9
70.70683	0.5
71.04604	0.6
71.05002	11.6
71.55606	0.8
71.55962	0.6
79.05495	4.1
80.18685	0.5
81.03400	0.6
81.07075	5.4
83.04999	2.9
83.08619	1.6
85.02903	0.7
85.06544	1.8
87.04431	0.5
91.05479	4.0
93.07056	5.8
95.04984	3.7
95.08627	6.1
97.02915	0.6
97.06540	3.8
98.98473	100.0
99.04457	0.9
99.08110	0.6
105.07033	4.6
107.04958	1.0
107.08615	4.8
109.06519	2.0
109.10162	4.8
111.08089	1.0
113.06017	1.5
116.98701	0.9
116.99526	2.7
117.07021	1.8
119.08603	6.0
121.06525	2.3
121.10159	5.4
123.08076	2.5
123.11712	0.7
125.06011	5.1
129.07050	0.7
131.08582	3.5
133.10120	2.4
135.08076	1.7
135.11725	2.4
136.08714	0.5
137.09637	6.9
137.13252	0.6
139.70790	0.4
145.02794	0.6
145.10141	4.0
147.08066	7.7
147.11734	2.3
149.09637	2.5
149.13281	1.4
151.07550	1.3
151.11205	0.6
151.14815	0.9
153.09154	0.7
157.10178	0.5
158.99734	0.9
159.08073	0.6
159.11743	1.5
161.13240	0.7
163.11189	10.2
163.14833	0.7
164.24983	0.5
165.07208	0.7
171.11757	0.5
173.09712	1.1
173.13293	1.9
173.21397	0.5
174.99234	3.4
175.11201	2.0
177.05495	1.4
177.12709	0.5
179.14365	3.5
181.12248	2.4
187.11203	0.9
187.14836	1.7
189.12814	1.0
191.10690	0.9
191.14330	2.4
193.12282	1.7
195.10175	1.1
205.15836	1.0
207.13783	0.6
215.14375	1.7
215.17975	0.7
228.96265	0.6
233.08223	0.6
233.15370	7.3
233.18951	0.8
247.76202	0.6
251.07039	0.7
251.09096	1.1
251.12628	1.2
251.16441	14.0
251.20065	1.4
269.12350	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1644
Annotation	Deodardione
Peak:m/z	Relative Intensity
53.03950	0.8
55.01873	2.6
55.02095	0.5
55.05513	14.4
56.96558	1.4
57.03432	0.8
57.07072	3.3
65.03936	0.9
67.01861	1.1
67.05508	15.4
68.99793	17.5
69.03413	1.6
69.07072	19.5
71.04993	1.0
71.08633	1.1
71.55424	0.9
75.00766	0.6
77.01615	0.6
79.05494	8.0
81.03411	0.6
81.07059	18.9
83.04983	2.7
83.08627	12.9
85.06534	1.5
91.05458	3.3
93.07047	10.8
95.04970	1.8
95.08618	13.7
97.02895	1.8
97.06532	4.5
97.10178	4.2
98.98471	100.0
99.08071	0.6
105.07050	1.5
107.04933	1.3
107.08601	8.9
109.06507	1.2
109.10169	6.5
111.00809	35.9
111.04435	5.2
111.08103	3.6
116.99519	2.1
117.07054	1.2
119.08611	1.8
121.06535	1.2
121.10147	8.1
123.08097	1.5
123.11729	2.2
125.05998	1.8
125.09619	3.0
125.47710	0.5
126.03161	2.3
127.03931	7.4
131.08574	1.9
133.10141	2.7
135.08040	2.9
135.11682	2.6
137.09650	0.7
137.13258	0.6
139.02817	0.8
139.03908	14.4
139.07513	1.5
139.11162	0.7
140.01105	0.9
145.10146	1.5
147.11699	1.3
149.09651	1.8
149.13254	4.8
151.07578	0.6
151.11192	1.3
153.05528	1.2
153.09151	1.5
157.08743	0.8
159.11705	0.7
163.11226	1.1
163.14842	5.6
167.07048	1.5
167.10706	1.7
167.14307	1.2
171.10175	1.3
171.13159	0.5
173.13264	2.9
174.99208	2.8
177.16330	0.6
181.08673	2.5
181.12138	0.5
181.15942	1.0
185.11812	0.7
187.14824	0.6
191.14261	3.3
191.18066	0.8
195.08449	0.6
195.10144	3.4
198.72800	0.7
205.15909	1.1
209.11784	1.6
209.15352	6.4
215.18044	1.6
223.07529	0.6
227.16435	3.4
228.09929	0.8
233.15430	1.2
233.19005	1.2
251.07176	2.8
251.16490	29.2
251.20076	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	251.1281
Annotation	Lachnumfuran A
Peak:m/z	Relative Intensity
53.03941	3.5
55.01878	6.0
55.05510	6.4
56.96568	4.6
57.03438	3.4
57.07073	2.1
62.28093	1.2
65.03927	1.6
67.05511	13.9
67.33884	1.6
68.81587	1.2
69.03429	8.4
69.07077	7.8
70.03850	1.3
70.80230	2.8
71.05001	7.3
78.22312	1.3
79.05077	1.4
79.05504	24.5
81.03431	2.6
81.07063	52.9
83.04972	4.5
83.08607	2.5
83.15826	1.2
85.06543	3.2
91.05496	17.1
93.07050	32.8
95.04971	14.5
95.08605	12.7
97.02904	4.0
97.06554	7.9
98.97575	6.7
98.98476	100.0
99.04465	5.4
103.05466	1.8
105.07037	24.3
107.04974	9.1
107.08606	15.6
109.06525	41.5
109.07266	2.4
109.10171	5.8
110.97581	2.3
111.04427	2.5
111.08105	3.3
112.26622	1.2
113.05984	2.0
115.05463	1.8
116.06264	1.5
116.98608	2.4
116.99456	2.0
117.07027	10.1
119.04964	15.8
119.08585	10.5
120.21224	1.2
121.06518	23.3
121.10152	8.7
123.04448	3.0
123.08053	3.5
123.11748	2.3
125.05978	5.6
127.07568	4.1
128.06267	1.6
129.07025	3.9
130.07819	3.0
131.08580	14.3
133.06505	5.8
133.10165	2.5
135.04503	1.7
135.08067	11.4
135.11685	7.0
137.05995	45.4
137.09679	2.3
139.07567	6.5
141.07045	2.4
143.00188	1.2
143.08588	4.0
144.09343	2.9
145.06491	5.6
145.10130	32.4
146.10533	1.9
147.03114	1.6
147.08066	2.5
147.11670	4.1
149.01262	2.0
149.05981	1.9
149.09598	2.6
154.07756	3.7
154.91092	1.3
155.08539	2.7
156.03589	1.3
157.08598	2.4
157.10162	1.9
158.07301	4.7
159.08055	5.0
159.11705	17.3
163.07626	1.6
163.11183	20.7
167.03398	3.9
169.10168	7.8
171.08049	1.6
171.11684	2.0
172.08879	2.0
173.06065	1.5
173.09645	12.5
173.13197	2.4
174.99281	2.4
177.05478	3.2
177.12685	2.4
179.08580	4.6
181.12245	9.4
182.07236	1.6
187.11200	29.4
189.12680	1.9
191.08810	2.3
191.10684	11.9
191.14273	1.9
195.10187	2.4
197.09610	11.9
197.78807	1.4
205.08586	2.1
205.12259	10.9
209.11884	2.7
215.10680	38.0
215.14142	2.2
219.01753	2.1
223.09669	3.7
227.12918	1.8
233.08211	1.7
233.11737	24.3
233.15366	2.4
239.09622	1.4
251.08716	2.7
251.12839	13.6
251.16382	15.8
254.42920	1.5
260.04486	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01870	0.6
55.05516	1.6
56.96567	3.0
57.07071	1.3
63.71943	0.4
64.25531	0.4
65.11761	0.4
66.05302	0.4
67.05511	3.6
67.76772	0.5
69.03436	0.6
69.07073	2.1
71.05016	2.2
79.05494	2.1
81.03419	0.6
81.07060	4.7
83.04985	0.9
83.08617	1.1
85.02914	0.6
85.06544	0.8
91.05477	1.8
93.07053	2.8
95.04975	1.0
95.08611	6.7
97.06558	1.1
98.97588	2.7
98.98474	76.3
105.07052	2.1
107.04994	0.7
107.08585	2.2
109.06518	1.2
109.10188	2.0
111.08136	0.5
116.98640	1.2
116.99518	1.6
117.07068	1.1
119.04950	1.0
119.08573	1.6
121.06511	1.0
121.10135	1.2
123.08072	0.4
123.11736	0.6
125.05988	1.4
131.08554	0.8
133.06502	0.6
133.10120	0.7
134.99673	0.5
135.08075	0.5
135.11691	1.4
137.31206	0.4
139.07584	0.5
140.01105	0.4
145.10123	1.9
145.11362	0.4
147.11757	0.4
149.09593	0.7
149.13300	0.5
151.07584	0.5
153.09100	0.6
154.88710	0.4
158.99673	1.0
159.11725	1.1
163.03920	0.6
163.11148	2.1
169.10172	0.5
173.01411	0.5
173.13269	0.7
174.99236	2.6
177.00691	0.6
177.12798	0.5
187.11211	1.5
191.10660	0.4
191.17911	0.4
201.00719	0.5
205.12221	0.6
215.10707	1.5
215.18002	0.5
233.11766	0.8
233.15393	0.8
233.19084	0.5
234.79376	0.4
251.12566	100.0
251.16629	3.3
252.12830	1.4
269.12454	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	249.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	32.4
67.05494	0.6
69.03421	0.5
70.27187	0.4
71.46482	0.6
71.95267	2.8
72.30522	0.5
72.96032	1.1
74.97594	0.9
81.07060	0.7
84.62358	0.4
84.96015	1.3
91.05466	1.0
93.07046	0.4
95.08623	1.0
96.98401	5.6
97.99190	0.7
105.07030	1.0
108.67216	0.4
109.99143	0.5
114.99442	2.4
119.08586	0.7
121.10101	0.6
128.00203	1.2
129.98160	0.6
133.00449	1.1
136.22789	0.5
137.05960	1.4
141.02184	0.5
159.03278	1.0
159.31818	0.5
169.01733	0.7
179.07436	0.6
184.06468	0.5
185.04941	0.5
208.10034	3.9
210.07991	1.5
211.06435	1.1
224.09534	2.5
225.08055	0.5
226.11154	100.0
227.11644	0.9
231.13988	0.5
242.10674	0.9
244.12233	39.1
249.09270	0.8
249.12805	5.0
249.14879	0.9
249.18504	0.9
267.09244	0.7
267.13776	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	250.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.5
55.05507	1.8
56.28820	0.7
56.96567	3.7
57.03435	2.1
58.99577	0.8
60.04521	0.7
61.02922	0.9
69.03429	4.4
69.83292	0.9
69.94859	3.2
70.06593	4.6
72.08155	1.7
81.03427	1.3
84.08158	1.9
85.02910	17.2
88.07639	100.0
91.05496	0.9
93.07114	1.0
97.02891	4.8
98.21523	1.5
98.97597	3.6
98.98478	28.8
99.97928	1.7
107.04949	2.2
109.02891	2.4
109.70103	0.6
112.02203	1.7
116.98648	1.4
121.06535	1.5
123.04450	0.7
127.03909	3.0
130.05022	0.7
130.45331	0.7
131.08624	1.0
134.99742	0.9
136.06194	6.5
140.01662	1.2
143.08575	3.0
145.04994	1.3
146.06076	0.8
147.04431	1.3
150.99155	1.2
160.05220	1.3
160.11307	1.2
161.06052	3.1
162.05525	1.7
163.02527	0.8
163.07700	0.7
164.07082	3.4
171.08083	2.3
174.99222	0.8
176.07124	1.1
177.07864	26.4
178.01047	0.9
181.03557	1.4
186.02232	3.8
188.10760	2.0
188.12849	1.6
189.09142	1.3
199.04597	1.7
204.03410	1.4
204.10335	1.0
206.11781	89.9
207.12236	1.0
226.96408	1.0
227.03952	1.1
231.00128	0.9
244.99722	1.6
245.02271	1.0
250.05733	1.8
250.09164	1.9
250.14487	25.4
250.21632	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.9
56.36742	1.5
56.96570	29.7
57.07100	1.6
60.06546	1.4
61.94471	1.7
69.03433	2.1
69.57863	11.4
72.04525	22.2
73.58610	1.5
74.97620	6.0
78.37708	2.0
84.08128	1.8
85.02903	2.0
86.97598	3.1
91.05476	3.5
95.08613	1.8
97.02905	2.1
98.20770	3.4
98.97598	60.6
103.75980	1.6
105.07018	1.9
107.04983	4.3
109.06548	1.6
110.07177	2.7
114.97039	1.7
115.05492	3.7
116.98634	28.7
117.05774	3.5
117.07003	3.1
118.05041	23.4
118.06551	39.7
120.08144	1.9
123.04425	3.9
128.98595	1.8
130.06628	2.3
131.04947	2.8
132.08109	85.0
132.98117	6.1
133.06540	2.6
134.09650	2.5
134.99661	11.4
136.06094	3.0
142.06490	2.6
143.00150	2.2
143.07324	5.6
144.08109	21.9
146.06027	79.5
146.99664	1.8
147.04358	3.0
150.99155	17.1
157.85942	2.0
158.99669	8.1
161.09566	3.8
169.00220	5.3
170.06010	7.7
174.99164	3.3
177.00735	7.2
177.05370	1.6
188.07086	100.0
189.05455	2.1
191.07043	2.6
193.00259	5.7
203.07121	1.7
203.11818	5.3
206.98184	5.3
216.48434	1.9
232.09665	1.9
249.07526	5.5
249.12376	15.9
249.14928	3.1
249.18439	2.7
258.49197	2.1
267.00208	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	249.1123
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.05484	0.7
56.96558	2.8
67.05492	2.3
69.03413	2.0
69.07069	0.8
69.69890	3.3
72.71519	0.6
79.05491	2.4
81.07050	2.1
84.96002	0.7
85.02882	1.9
91.05484	8.8
93.07037	2.5
95.04973	0.9
95.08596	1.6
97.02880	1.2
98.97578	4.2
99.33118	0.8
103.05460	1.7
105.07044	5.4
107.04948	2.0
107.08598	1.7
109.10149	1.5
115.05437	6.1
116.06230	2.7
116.98580	0.9
117.07015	3.0
119.08568	2.6
121.10168	1.3
124.38103	0.7
128.06230	9.3
129.07008	21.5
130.07784	0.9
131.00209	0.7
131.04956	1.7
131.08577	16.9
132.05724	1.6
133.06512	4.1
133.10114	4.2
135.08064	0.8
141.06990	9.9
142.07779	4.2
143.04884	0.9
143.08571	3.7
144.05714	10.8
145.06505	6.2
146.07303	3.5
147.04448	0.9
147.08089	1.2
152.06230	1.6
153.06969	2.5
153.96637	0.7
155.06056	1.7
156.05713	2.2
157.06511	9.8
158.07304	3.1
158.99667	1.3
159.08063	26.0
160.05185	1.8
161.06009	4.2
161.09616	7.5
167.06963	0.8
169.06352	1.7
169.07623	2.8
170.07278	9.2
171.04462	2.3
171.08035	5.8
172.05162	3.4
173.01193	1.4
173.05975	3.3
174.06717	2.3
175.07553	2.4
184.05193	0.9
186.06743	0.7
187.07556	20.0
189.05461	3.9
189.09143	8.0
190.06186	1.3
191.07011	1.9
193.08560	1.2
196.04428	2.0
198.06786	2.5
199.07640	3.3
201.05498	1.8
201.58923	0.7
203.07051	6.0
203.14384	0.9
204.07835	13.7
205.08533	1.4
206.09401	0.9
216.07797	3.9
218.09366	1.5
219.10172	1.9
221.11719	2.6
231.10191	6.6
234.08777	1.1
240.72124	0.7
249.11230	100.0
249.18530	1.6
250.11580	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77045	12.9
58.08435	11.3
59.28032	11.9
70.06581	19.7
71.32639	19.9
87.83932	10.8
94.93037	11.1
98.97613	29.1
116.07133	16.2
116.98632	12.2
141.89212	11.1
181.58669	11.0
200.83478	11.3
249.03784	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1124
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
50.59043	0.7
55.01863	1.1
55.05509	0.9
56.96558	0.7
67.05489	1.1
69.03416	2.1
71.25484	0.7
79.05473	2.1
81.07051	0.9
88.08391	0.9
91.05486	8.4
93.07063	1.1
95.04963	1.3
95.08591	1.0
97.02882	1.0
97.06531	0.6
98.25682	0.5
98.97577	1.7
103.05474	1.8
105.07064	4.1
105.15559	0.6
106.96707	0.5
107.04957	2.4
107.08615	1.3
115.05465	7.7
116.06255	3.3
116.98655	0.7
117.07022	7.5
118.04171	0.7
119.04942	0.6
119.08585	1.3
121.06524	1.4
123.04430	0.6
127.13513	0.5
127.18453	0.5
128.05376	1.0
128.06235	10.3
129.07018	22.3
130.07756	0.8
131.04944	3.6
131.08583	20.0
132.05688	1.2
133.06528	3.3
133.10121	1.9
141.07010	9.7
141.08022	1.1
142.07788	5.5
143.04933	1.2
143.08578	4.0
144.05725	10.1
145.06487	9.3
145.10181	1.2
146.07338	3.6
147.04395	1.2
147.08090	0.9
148.55443	0.7
151.07574	0.7
152.06287	1.1
153.05472	0.6
153.06964	2.2
153.73479	0.6
155.06052	3.5
156.05690	2.7
157.06509	9.4
157.10100	0.8
158.07321	2.7
159.04422	1.3
159.08060	28.3
159.11697	0.7
160.05199	1.6
160.08794	0.9
161.05969	4.4
161.09624	7.6
167.07063	1.4
169.06462	1.8
169.07724	3.3
170.07297	9.2
171.04468	2.1
171.08070	7.6
172.05217	3.4
173.06012	5.3
174.06842	2.5
175.07565	2.3
178.06281	1.0
185.05971	1.3
186.06813	1.0
187.07564	18.1
188.08250	1.6
189.05492	5.0
189.09111	9.3
190.06235	1.4
191.07021	2.0
192.07814	1.1
193.08614	1.4
198.06805	2.2
199.07597	3.3
200.08308	0.7
201.05479	2.2
203.07071	6.0
204.07840	14.4
205.08572	2.5
206.09441	1.3
216.07870	4.5
217.04958	2.1
217.08604	0.9
218.09433	1.2
219.10188	1.3
221.08148	1.5
221.11653	3.3
231.10240	6.4
231.13823	1.2
249.11249	100.0
250.11623	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1697
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03944	2.9
55.01867	4.3
55.05513	18.0
56.96558	9.1
57.03424	2.5
57.07058	6.6
64.91438	2.0
67.05507	30.0
69.03419	3.2
69.07065	18.5
70.13412	5.6
71.04987	4.9
71.08604	2.1
73.32830	2.4
79.05503	24.6
81.07064	48.1
82.06572	4.0
83.04984	5.1
83.08621	12.4
85.02902	4.0
85.06535	9.5
91.05488	31.9
93.07050	39.7
95.04967	7.0
95.08611	39.6
97.02905	2.8
98.97588	12.4
99.04453	4.1
105.07031	37.2
107.08610	31.8
109.06530	7.6
109.10154	23.5
115.05415	3.2
116.98612	5.3
117.07021	15.7
119.08593	37.3
121.02838	3.0
121.06468	6.1
121.10138	23.3
123.08048	5.5
123.11687	5.0
128.06186	2.7
128.98619	2.2
129.06998	6.3
130.07767	2.5
131.08588	37.7
132.95848	3.5
133.10156	34.5
135.08034	8.7
135.11661	14.0
137.09616	3.4
137.13266	2.9
141.07013	3.0
143.08566	7.5
144.05687	2.0
144.09340	4.1
145.06512	3.9
145.10144	51.0
146.06139	2.3
147.08023	3.6
147.11707	15.9
149.09578	5.6
149.13240	13.9
155.08565	3.7
157.06331	2.3
157.10184	9.9
158.99686	3.8
159.08078	8.6
159.11697	32.2
161.06076	2.9
161.09618	6.7
163.11186	3.0
163.14830	6.1
165.16461	2.8
169.10144	6.8
171.11694	4.4
172.12466	3.0
173.09637	9.5
173.13257	15.1
174.14046	2.8
175.03867	3.3
175.07626	3.1
175.14859	6.2
177.00642	3.3
177.09100	4.3
177.16437	4.1
182.99675	2.1
183.11629	3.9
185.13264	15.9
187.07565	4.6
187.11250	13.4
187.14813	76.3
189.12738	2.3
191.10626	10.3
191.17940	3.9
201.00743	5.5
201.08926	2.8
201.12730	5.4
201.14569	3.3
201.16377	9.3
205.12175	6.5
211.14789	16.5
217.08516	3.0
229.08615	5.2
229.12173	4.3
229.15875	19.2
229.19485	2.6
244.00726	2.3
246.06870	2.2
247.05956	7.7
247.09665	7.4
247.13046	11.2
247.16948	100.0
247.20892	7.9
247.24196	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	247.1696
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
51.32227	1.0
55.05502	3.5
56.96571	5.2
57.07077	2.3
64.20750	0.9
67.05507	11.9
69.03405	1.2
69.07069	4.4
70.06586	1.7
71.08635	1.1
71.55321	1.0
79.05495	12.2
81.03437	1.1
81.07059	10.3
82.06594	1.0
83.04969	2.3
83.08618	1.5
87.04469	1.7
88.07632	2.1
91.05483	17.3
93.07053	15.7
95.04943	1.7
95.08623	13.0
97.06556	2.1
104.99269	2.3
105.07043	15.4
106.08619	1.2
107.04983	1.1
107.08572	10.3
109.06528	2.3
109.10159	6.7
115.05458	1.6
117.07026	21.7
119.08597	14.8
119.92152	1.2
120.12991	1.0
121.02825	1.6
121.06516	3.7
121.10170	4.4
121.93612	0.9
123.04450	1.0
125.05930	1.0
129.07011	4.5
130.07813	1.4
130.70328	1.0
131.08575	38.3
133.06532	2.1
133.10152	7.0
135.08047	1.4
135.11691	3.3
139.07555	1.8
142.22829	1.0
143.08574	4.3
145.06502	2.9
145.10132	33.4
147.08090	1.2
147.11679	4.7
149.05989	1.6
149.09645	2.0
149.13322	1.8
153.09114	1.1
155.08565	2.2
157.10181	2.0
159.11707	13.0
161.06000	1.8
161.13268	2.9
163.07564	1.6
163.11020	1.0
165.09100	3.2
169.10085	1.6
171.11690	4.4
173.09622	1.9
173.13300	4.6
177.09143	3.0
185.13326	5.7
187.11224	4.3
187.14835	100.0
188.15305	1.8
189.12810	2.3
191.10696	2.0
201.00690	2.8
201.12730	2.1
201.16400	12.1
205.12248	1.5
205.15970	1.3
211.14886	2.1
229.05164	1.5
229.15865	18.7
229.23579	2.3
247.05992	2.7
247.09697	1.9
247.13124	3.4
247.16959	44.8
247.20667	2.3
247.24606	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	247.1332
Annotation	Parishin B
Peak:m/z	Relative Intensity
50.53971	1.0
53.03939	3.6
55.05512	5.8
56.96549	1.7
58.31546	1.1
60.04527	2.5
65.03934	3.2
65.77679	1.0
67.05489	4.4
69.03439	19.2
69.07070	1.8
69.44395	8.9
70.02949	1.2
79.05502	6.9
81.07067	6.4
83.04984	18.8
91.04976	1.8
91.05489	22.0
93.03372	4.0
93.06555	1.4
93.07053	15.1
95.04971	5.8
95.08602	2.3
97.02901	6.0
97.06504	1.7
98.21551	2.3
98.97595	2.0
99.04415	1.2
102.05556	11.1
105.07027	16.6
107.04921	1.1
107.08597	14.6
109.02880	12.7
109.06516	10.1
109.10136	2.2
111.04432	4.0
111.08105	1.1
115.05456	4.9
117.07030	8.5
119.08588	15.6
121.02876	3.0
121.06512	16.8
121.10149	7.4
122.07335	1.9
123.08077	1.9
128.06215	3.4
129.07054	6.0
130.07817	1.4
131.08580	19.9
132.05688	2.3
133.10153	10.2
135.04378	1.3
135.08064	31.1
135.11774	1.6
137.05962	5.1
137.09601	3.3
139.03899	1.7
141.06993	3.2
142.07687	2.5
143.08543	9.0
144.09332	8.6
145.06509	11.6
145.10120	11.8
146.07253	1.3
146.64417	1.1
147.08038	5.1
149.06027	2.0
149.09637	20.7
150.10423	2.4
151.11186	3.0
153.06929	2.9
153.09102	2.6
154.07661	1.4
155.08594	4.6
157.06357	2.1
157.10127	3.4
158.07239	2.4
158.10924	12.1
159.08061	10.0
159.11697	24.4
160.08800	3.9
161.09625	4.9
163.07541	18.2
163.11174	3.5
165.09081	2.3
168.09320	3.7
169.10117	3.4
170.10884	3.9
171.08046	6.7
172.08879	16.0
173.06012	1.3
173.09650	28.7
173.13277	33.1
177.12819	1.6
181.06442	1.9
183.11693	9.7
185.09575	2.5
185.13251	3.6
186.10410	24.3
187.11194	100.0
189.09079	2.6
191.07050	40.2
196.08830	4.6
199.07574	2.4
201.12761	55.6
203.14253	1.5
205.12334	6.4
211.11192	11.2
214.09944	3.7
215.09387	2.0
219.13792	6.4
229.12257	63.8
247.05995	2.2
247.13303	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18012	1.1
56.96561	2.4
70.06619	1.0
71.08252	2.3
71.08599	1.0
72.08157	5.4
73.88287	0.9
81.03415	1.1
84.04525	1.4
84.08155	1.4
86.09705	3.3
88.61327	0.9
91.51269	0.9
98.21335	1.2
98.97622	1.9
98.98302	1.2
101.00875	5.4
103.00613	2.3
105.23706	1.1
108.82668	1.1
113.00849	1.3
119.01154	1.0
119.01929	4.5
119.04911	1.2
121.01701	2.2
127.02406	1.2
131.01863	1.4
136.09358	1.0
143.01851	1.9
147.04333	6.4
161.02942	3.3
166.11868	1.1
187.02661	3.1
212.07788	1.7
229.03214	30.5
229.05193	1.1
247.04271	100.0
247.08141	6.7
247.12822	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1332
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03934	4.1
55.01877	1.5
55.05503	4.4
56.68454	1.4
57.07056	2.0
65.03934	4.3
67.05500	4.5
69.03435	18.9
70.49100	4.9
79.05511	7.8
81.07056	9.0
83.04982	23.2
86.34176	1.5
91.05494	12.3
93.03404	3.7
93.07043	11.2
95.04971	4.5
95.08602	2.7
97.02909	7.3
102.39158	1.6
105.07039	12.8
107.04959	2.6
107.08604	13.8
109.02885	15.2
109.06534	9.2
109.10178	3.2
111.04440	5.2
115.05473	3.1
116.06232	1.6
117.07022	11.3
119.08588	16.1
121.02864	4.6
121.06510	12.9
121.10120	8.5
128.06244	4.6
129.07022	7.6
130.07796	1.6
131.08586	14.9
132.05760	2.6
133.10130	10.2
135.08063	26.2
137.09686	3.8
141.06999	2.3
142.07794	3.7
143.08543	9.9
144.09360	9.9
145.06494	11.7
145.10118	8.7
147.08075	4.6
149.09630	19.5
150.10417	4.1
151.11205	3.8
153.09048	2.6
155.08556	4.3
157.06482	2.3
157.10132	2.9
158.07272	3.0
158.10924	12.2
159.08086	11.1
159.11705	20.6
160.08862	3.6
161.09598	4.1
163.07549	18.4
163.11154	1.7
165.08925	1.7
168.09358	4.0
169.10117	2.0
170.10938	3.2
171.08020	9.3
172.08868	15.7
173.09654	26.6
173.13274	31.8
175.07558	1.7
181.06482	2.0
183.11720	10.8
185.09689	2.9
185.13234	2.5
186.10422	21.0
187.07587	3.0
187.11198	100.0
189.09085	1.9
191.05406	2.7
191.07050	35.2
196.08852	4.9
199.07642	1.7
201.12758	57.6
205.12262	6.3
211.11188	11.1
214.09872	2.9
219.13803	6.4
225.45583	2.1
229.12253	62.4
247.13297	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30403	1.1
55.76200	1.1
70.75340	2.2
74.59306	1.0
101.00893	2.6
118.67589	1.1
119.01954	2.2
126.06831	1.4
126.31535	1.3
127.36982	1.3
136.41199	1.2
143.01999	1.2
147.04430	1.7
167.03293	1.3
229.03204	31.2
247.04274	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92983	0.9
70.68227	2.5
86.71558	0.9
104.10760	6.3
167.03180	1.2
229.03207	30.5
247.04280	100.0
247.07883	6.2
265.32932	1.0
269.30814	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1863
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
55.05512	0.2
56.96560	0.5
57.03455	0.3
59.92481	0.2
67.05497	0.4
69.07070	0.7
70.06624	0.2
70.17957	0.3
70.18307	1.0
81.07053	0.2
85.38660	0.2
86.09713	100.0
86.24847	0.3
87.10044	0.3
88.63695	0.2
91.05518	0.4
95.08610	0.3
98.97582	1.7
101.72752	0.2
105.07026	0.3
109.08904	0.2
109.10159	0.3
112.02270	0.3
116.98649	0.4
132.10211	3.0
133.10193	0.3
153.01859	0.7
158.99715	0.6
176.99245	0.3
177.00769	0.6
199.18051	1.3
223.38629	0.2
227.11795	0.3
245.04614	0.9
245.13461	0.7
245.18636	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	245.1863
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
53.00306	0.4
55.01884	0.4
55.05513	0.6
56.05039	0.5
56.96571	9.5
57.05814	0.4
58.06602	0.4
65.03953	0.3
67.05516	1.0
68.05022	0.4
69.03436	2.0
69.07078	10.2
70.06612	0.8
70.83243	0.7
70.98132	0.8
71.95276	0.5
72.08164	0.3
73.02920	0.6
74.97633	0.5
79.05498	0.7
81.03426	0.6
81.07053	1.4
83.04993	1.3
84.08141	0.9
84.51882	0.3
84.96060	0.5
85.02928	1.0
86.06081	2.4
86.09718	100.0
87.04451	0.4
87.10040	0.7
88.99160	0.4
91.05502	2.9
93.07059	1.1
95.08620	0.6
97.02923	0.7
97.06551	2.2
98.97598	15.1
99.00864	0.9
102.96910	0.5
105.07063	0.6
107.08603	0.7
109.06528	0.4
110.97578	0.3
111.00803	0.3
116.98643	11.9
117.12650	0.3
119.08610	0.6
121.10176	1.0
123.11697	0.6
129.07040	0.3
129.10292	0.3
130.06572	0.5
131.00189	0.5
131.08615	0.5
132.10208	2.7
133.10144	0.4
134.98653	0.4
134.99680	8.1
135.00664	0.5
140.00238	0.4
141.02257	5.4
143.00179	0.3
144.08101	0.4
145.01744	0.4
145.10365	0.3
147.11758	0.4
149.02267	0.4
153.00778	1.1
153.02274	1.9
157.06473	0.5
157.07672	1.1
158.01349	0.6
158.05995	0.5
158.99707	0.4
159.03323	5.5
159.09212	0.5
161.13321	0.3
165.12772	0.5
167.03374	0.3
171.03313	13.8
177.00784	0.5
177.04332	0.6
183.13823	0.8
189.04372	15.7
194.05023	0.5
199.04198	0.3
199.08966	0.3
199.18170	1.0
203.06133	0.5
203.08211	0.7
204.06503	0.3
207.05484	1.1
209.15378	1.9
212.06055	0.6
213.04407	2.1
213.07187	0.6
215.09149	0.4
221.07043	0.4
224.09758	0.6
227.14136	0.3
228.90224	0.3
231.05466	2.0
244.75279	0.3
245.04590	1.9
245.07123	2.4
245.15289	0.8
245.18669	2.7
263.08124	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1861
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
55.01861	0.3
55.05509	0.5
56.05011	0.3
56.96568	2.3
67.05485	0.4
69.03436	0.6
69.07065	1.5
70.06603	1.4
71.54735	0.6
72.08145	0.9
79.05504	0.4
81.07055	0.2
83.04959	0.5
84.04523	1.3
84.08146	0.9
85.02901	0.3
86.09708	100.0
87.10057	0.6
90.05561	0.3
93.07015	0.3
95.08581	0.3
97.02919	0.3
97.03980	0.5
98.97582	2.7
99.00845	0.3
105.07037	0.4
107.04923	0.3
111.04468	0.3
115.05457	0.3
116.07078	0.4
116.98629	1.7
124.42965	0.3
129.10243	0.4
130.05005	0.3
132.10217	4.6
134.99684	0.8
137.05980	1.5
154.21278	0.3
157.07652	0.3
158.99744	0.5
159.03368	0.3
164.13100	0.5
171.03232	0.5
171.04559	0.5
173.01215	0.3
183.09103	0.3
189.04401	0.9
189.68559	0.3
199.03917	0.4
199.12318	0.8
199.18057	3.1
215.09381	0.5
217.05110	0.5
227.08504	2.0
227.11771	1.6
240.02573	0.4
245.04431	7.0
245.13121	0.5
245.18613	4.2
249.37390	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07164	0.3
53.03946	0.5
55.05513	1.3
56.96576	2.0
65.03955	0.4
68.05036	0.7
68.99776	0.3
69.03435	0.4
69.07070	0.7
70.06608	1.3
71.04033	0.6
71.04993	0.8
72.08156	1.0
73.24857	0.2
74.02419	0.3
76.02240	1.0
79.05503	4.2
80.05032	0.7
81.05806	3.8
81.07072	4.0
82.06616	0.3
83.05000	0.4
83.08620	0.3
84.04513	1.2
84.08142	1.3
84.96014	0.3
85.02902	0.7
86.06087	1.1
86.09710	0.8
88.03986	0.5
93.90910	0.2
94.06568	2.1
95.04967	0.3
96.04491	1.2
96.08138	16.0
97.02913	0.3
97.06500	0.4
98.09650	0.3
98.97583	1.0
100.07634	0.3
101.00810	0.3
106.06536	2.6
107.04973	1.6
110.97523	0.4
111.02669	0.3
111.04484	0.5
111.05558	0.3
114.05473	0.4
116.07125	0.4
116.98665	0.7
119.01962	0.6
122.02731	1.4
122.06019	0.3
123.04454	0.4
124.07601	100.0
125.07922	0.7
126.94874	0.3
127.03907	0.4
129.10300	0.5
130.05028	1.1
130.06578	0.3
134.04501	0.5
138.09093	0.3
139.03932	0.8
142.04987	0.3
156.04797	11.6
157.07626	0.7
158.06281	0.4
158.99574	0.3
161.02980	0.4
171.87247	0.3
173.04640	0.3
181.07974	0.4
182.06459	0.3
182.08095	0.4
184.09723	0.7
185.02937	0.3
199.09029	8.3
201.12349	0.8
215.03798	0.3
217.05252	0.2
221.03040	0.8
228.06929	1.3
245.04465	2.1
245.09590	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	245.1174
Annotation	5-Hydroxybisphenol A
Peak:m/z	Relative Intensity
51.02390	0.9
53.03938	3.6
55.01872	3.5
55.05502	3.3
56.96557	3.5
57.03439	1.2
65.03938	0.9
65.89384	0.7
67.05506	7.5
69.03438	22.3
69.07080	2.3
71.04995	1.5
71.55473	1.0
79.05502	6.6
81.07058	7.2
82.76855	0.9
83.04974	3.0
85.02899	1.5
85.46146	0.8
87.04465	3.3
91.05491	12.0
93.07045	9.4
95.04996	6.3
95.08604	3.5
97.02907	10.1
97.06530	2.7
98.97586	9.5
103.05443	1.1
105.07034	11.6
107.04967	2.3
107.08601	11.0
107.85732	0.9
109.02898	11.4
109.06524	3.5
109.10162	1.1
111.04414	1.7
115.05465	3.6
116.06238	1.5
116.98619	3.6
117.07055	6.2
119.04956	1.1
119.08585	14.7
121.06517	9.6
121.10183	2.2
122.07310	1.0
123.04436	6.6
123.11794	1.1
128.06226	10.6
129.07016	11.9
130.07764	1.8
131.00224	1.0
131.04984	1.2
131.08565	9.4
132.05765	1.0
133.06476	3.0
133.10132	3.4
135.08066	17.0
135.11758	1.1
137.05968	2.6
141.06985	13.5
142.07787	19.4
143.08574	22.4
144.05737	2.1
144.09315	2.0
145.06467	5.5
145.10150	4.9
146.07230	2.6
147.08076	10.4
147.11700	2.0
148.08798	2.3
149.05978	2.0
149.09639	3.9
153.07021	6.6
154.07784	2.3
155.06039	1.0
155.08548	8.2
156.09361	32.6
157.06580	4.2
157.10144	24.5
158.07281	8.6
158.10880	2.9
158.99693	2.0
159.08078	15.1
159.11711	7.0
160.08853	1.8
161.06041	1.4
161.09627	4.0
161.13196	1.4
163.07532	3.2
165.07033	8.3
166.07788	12.0
167.08575	3.1
168.09349	3.2
169.06480	10.2
169.07675	1.2
169.10144	2.0
170.07248	3.3
171.08095	16.4
171.11707	24.5
172.08876	3.2
173.09647	6.0
173.13301	2.2
175.07568	7.4
175.11214	3.2
177.00755	2.1
181.10150	10.3
183.08139	5.2
183.11710	3.4
184.08849	21.6
185.09634	44.7
185.13182	2.1
186.10396	6.8
187.07558	2.6
187.11195	2.6
188.08347	2.5
189.05511	1.6
189.09132	3.7
189.12753	3.8
194.07292	2.0
197.05998	1.9
197.09593	2.2
199.11195	67.5
200.11861	1.5
201.12732	3.0
203.10681	21.9
209.09607	11.8
211.07536	1.9
212.08340	15.4
215.10738	3.0
217.08815	1.1
217.12222	11.4
227.10678	41.8
227.14136	1.7
228.98793	1.0
230.09352	1.0
245.04933	1.9
245.11758	100.0
245.22615	2.4
246.12013	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	244.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
55.05493	2.9
56.96555	1.0
60.04528	17.0
64.63860	0.7
65.94257	0.7
67.05496	2.1
67.75375	0.7
69.07070	89.0
70.01253	2.5
70.01653	1.1
70.02943	7.6
71.92873	0.8
73.34074	0.9
81.07049	1.0
83.08611	1.5
85.02888	1.3
88.03994	58.1
93.07014	1.6
95.08578	2.0
97.06512	2.3
98.20801	1.3
98.97578	3.1
102.05546	100.0
106.05020	6.8
110.09693	1.0
116.98606	0.9
121.06479	1.4
124.07627	5.5
127.34319	0.9
130.04996	3.9
131.48485	0.7
136.69313	0.9
138.09151	7.8
148.06049	94.5
149.06352	0.9
150.01506	0.8
166.08636	11.1
184.09695	19.1
193.66986	0.8
198.11287	11.8
202.10844	1.7
212.09169	1.6
226.10730	2.8
244.11829	51.8
245.12068	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	2.5
56.96578	9.9
57.03413	3.5
58.99864	3.2
68.98278	2.5
69.03423	4.5
69.07034	2.3
70.06595	16.6
70.47675	4.9
70.99858	3.7
71.05014	3.8
72.08132	4.1
74.02447	22.9
81.03404	2.0
82.99828	9.9
84.04512	66.4
84.08144	14.9
85.02903	10.6
86.06040	2.3
86.09708	10.2
88.07632	5.2
96.58803	2.2
97.01433	2.4
97.02900	6.6
98.97593	8.7
99.04466	10.8
101.00892	68.5
102.05586	2.7
103.00604	2.9
103.02486	2.7
107.04970	3.4
109.02912	3.6
112.05104	2.1
113.00880	12.1
113.05434	2.4
115.02454	11.4
116.07096	32.9
116.98647	6.1
117.04005	4.2
119.01930	100.0
120.02031	2.9
121.01675	6.7
124.07583	2.7
125.00880	3.6
127.02409	8.7
127.03905	4.0
129.00307	2.0
129.03992	5.4
130.05016	38.9
131.01907	20.0
131.05589	4.8
131.96172	4.3
133.03508	15.3
135.01335	2.2
137.02988	11.7
139.02426	13.3
142.03468	2.2
142.96545	2.0
143.01903	44.5
144.99792	2.2
145.03484	23.5
147.05069	3.3
149.03015	2.7
149.06613	4.7
155.01898	15.7
157.03482	75.5
159.01457	3.2
159.05075	12.3
161.02969	86.7
163.04497	5.4
167.01947	9.5
169.03435	4.2
170.96037	3.2
171.05009	3.5
173.02979	20.1
175.04539	39.7
177.02492	4.5
177.06055	3.2
179.02031	3.8
179.03978	3.1
182.08131	17.9
183.05078	3.6
184.02299	5.0
185.02966	72.3
186.03130	2.6
187.04535	9.7
188.97110	5.9
189.02463	2.3
189.04141	2.1
191.03978	5.8
197.02917	12.9
199.04521	62.4
201.06059	4.4
203.02295	4.5
203.04030	50.0
204.04166	2.2
205.03554	3.1
215.04024	7.2
217.05594	99.8
218.05751	2.4
220.99831	2.3
221.03217	3.3
221.05089	10.6
227.03906	10.3
227.07767	2.8
228.08702	6.5
231.03522	17.3
233.05128	3.9
240.07239	2.9
245.05078	90.9
245.08694	7.3
245.11491	15.4
245.14929	2.6
249.04669	3.6
263.03046	11.1
263.05994	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	243.1746
Annotation	Dehydrofalcarinol
Peak:m/z	Relative Intensity
53.03942	1.1
54.87048	0.6
55.01865	1.5
55.05516	7.1
55.52813	0.6
56.96565	1.0
57.03446	1.1
57.07079	3.2
65.03943	0.8
67.05511	28.4
68.60084	0.6
69.07085	4.9
71.08641	0.9
71.55293	0.7
73.04850	0.5
73.20083	0.5
79.05503	14.7
80.38232	0.5
81.07066	23.1
83.08619	3.1
85.06551	0.7
91.05489	26.4
93.07055	16.8
95.04981	1.3
95.08616	19.8
97.10172	1.2
103.05470	0.8
105.07040	21.7
107.04922	0.9
107.08599	9.7
109.06503	1.3
109.10168	19.2
115.05427	0.9
117.07034	16.7
117.07857	1.0
119.08591	23.4
121.06544	1.0
121.10156	16.1
123.08059	0.5
123.11720	2.9
128.06223	1.3
129.06985	3.1
130.07785	1.5
131.04933	1.0
131.08582	30.7
133.06519	0.9
133.10146	18.4
135.08046	0.6
135.11703	9.6
141.07002	2.6
143.08571	3.1
144.05771	0.6
144.09424	0.6
145.06483	7.3
145.10138	26.7
147.08060	13.1
147.11710	17.2
149.09679	0.7
149.13266	4.9
151.11203	0.9
155.08562	3.2
157.06461	0.7
157.10104	3.3
158.07268	1.6
159.08083	5.3
159.11707	18.9
161.09679	3.1
161.13269	21.4
161.14621	1.1
162.13600	0.7
163.11157	0.7
163.14819	1.8
169.10153	3.5
171.11745	3.2
172.08881	1.9
173.09642	25.6
173.13266	20.5
175.11174	1.1
175.14839	5.7
183.11705	2.1
185.09648	0.9
185.13332	1.9
186.10437	0.7
187.11206	20.5
187.14819	13.4
194.22218	0.6
196.92691	0.7
197.13289	1.3
199.14818	1.8
200.15605	0.6
201.12769	6.7
201.16379	7.0
215.14386	1.0
215.17984	6.9
225.16484	3.6
243.14040	4.3
243.17461	34.8
243.21115	100.0
243.28755	1.7
244.17894	0.6
244.21411	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
55.05493	2.9
56.96555	1.0
60.04528	17.0
64.63860	0.7
65.94257	0.7
67.05496	2.1
67.75375	0.7
69.07070	89.0
70.01253	2.5
70.01653	1.1
70.02943	7.6
71.92873	0.8
73.34074	0.9
81.07049	1.0
83.08611	1.5
85.02888	1.3
88.03994	58.1
93.07014	1.6
95.08578	2.0
97.06512	2.3
98.20801	1.3
98.97578	3.1
102.05546	100.0
106.05020	6.8
110.09693	1.0
116.98606	0.9
121.06479	1.4
124.07627	5.5
127.34319	0.9
130.04996	3.9
131.48485	0.7
136.69313	0.9
138.09151	7.8
148.06049	94.5
149.06352	0.9
150.01506	0.8
166.08636	11.1
184.09695	19.1
193.66986	0.8
198.11287	11.8
202.10844	1.7
212.09169	1.6
226.10730	2.8
244.11829	51.8
245.12068	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	30.9
56.96567	48.8
57.07076	38.3
67.05505	30.4
68.66220	14.0
69.07050	14.9
70.18126	67.3
71.02042	14.3
71.08637	17.1
79.05486	23.9
81.07063	100.0
88.07632	16.4
89.25657	17.7
91.05483	40.3
95.08579	20.4
98.20799	24.1
105.07034	33.4
107.08583	23.4
116.98646	26.7
121.10082	15.9
147.11726	34.5
165.12767	28.4
229.14423	23.7
243.06491	17.0
243.21149	24.1
243.28769	82.4
244.26500	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	243.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	30.9
56.96567	48.8
57.07076	38.3
67.05505	30.4
68.66220	14.0
69.07050	14.9
70.18126	67.3
71.02042	14.3
71.08637	17.1
79.05486	23.9
81.07063	100.0
88.07632	16.4
89.25657	17.7
91.05483	40.3
95.08579	20.4
98.20799	24.1
105.07034	33.4
107.08583	23.4
116.98646	26.7
121.10082	15.9
147.11726	34.5
165.12767	28.4
229.14423	23.7
243.06491	17.0
243.21149	24.1
243.28769	82.4
244.26500	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	242.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.0
56.05016	0.7
56.96556	1.7
57.03422	1.5
57.07021	0.7
63.22839	0.7
67.05484	1.4
68.05017	0.9
69.07074	8.8
69.22507	5.7
69.22907	1.7
70.06586	3.7
72.08131	0.9
73.02909	1.1
74.73566	0.8
78.03419	0.9
79.05493	1.5
80.05021	4.1
81.07063	1.0
83.06102	3.0
84.04505	2.4
84.08132	3.1
85.08514	1.0
86.09705	2.9
89.04502	0.8
94.33899	0.8
95.04976	1.9
96.04489	3.5
97.02900	1.0
97.06522	1.0
98.97581	2.1
106.02921	1.9
112.03736	6.6
112.07597	1.6
123.04452	4.0
124.03964	100.0
129.10246	1.6
138.05496	1.1
139.03912	1.9
140.07080	10.0
150.20111	0.7
152.07094	1.0
153.05200	5.5
165.05467	0.9
165.49838	0.7
168.06554	9.8
177.00713	0.9
178.08629	1.1
206.08200	0.9
219.01994	1.0
224.09001	9.1
237.00662	1.5
237.02792	0.9
242.06699	11.9
242.10022	92.0
242.15250	3.0
244.97643	1.0
260.04337	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	0.1
69.87775	0.6
82.99818	0.7
93.72696	0.1
98.97581	0.6
101.00888	7.4
102.00961	0.2
105.09949	0.1
105.46622	0.1
108.15938	0.1
116.98764	0.7
119.01931	11.5
120.01984	0.2
122.97869	0.2
126.29659	0.1
128.15524	0.1
134.99893	0.7
137.01157	0.1
137.02968	1.3
140.98840	1.6
153.00984	0.2
157.01906	0.1
158.99901	4.9
160.00121	0.1
165.99654	0.1
175.02997	0.5
177.00966	22.9
178.01134	0.8
182.99876	0.8
193.04076	0.2
195.01982	0.2
196.94513	0.2
199.03006	0.3
200.02589	0.2
201.00932	2.9
201.02521	0.2
202.01027	0.2
214.95554	0.2
217.04100	3.5
217.06108	0.3
218.04015	0.1
219.02020	26.5
219.94493	0.2
220.02124	1.6
225.00871	2.4
225.02731	0.2
234.00742	0.4
237.03096	0.1
237.98894	0.3
242.03609	0.2
243.02003	12.4
244.02222	0.3
261.03079	100.0
262.03256	2.8
263.03510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.5
55.01630	0.7
55.01878	8.1
55.05509	2.1
56.05021	0.7
56.96574	3.7
57.03432	1.5
58.99860	1.1
61.02926	1.6
62.01071	0.6
69.03432	3.1
70.06607	3.2
71.04974	1.3
71.53795	0.6
71.93005	1.2
71.94105	0.9
72.08161	0.9
72.93801	1.1
73.02903	1.7
73.06541	1.3
74.06058	0.7
77.00924	0.9
81.03408	2.4
82.99869	2.8
83.04961	0.8
84.04504	3.4
84.08134	2.6
85.02915	3.2
86.09706	4.6
87.04489	0.8
89.94093	0.7
90.94817	0.9
91.05514	0.9
97.02901	2.2
97.07637	0.9
98.06052	2.0
98.97578	3.7
99.04425	1.2
101.00888	26.3
102.88843	0.6
103.02444	1.8
105.93549	0.7
107.08588	0.6
109.02888	1.1
110.07170	2.5
111.04491	0.7
112.05158	0.6
112.07613	1.4
113.00893	3.4
115.02430	6.2
116.98648	1.2
117.03998	0.7
119.01935	74.2
120.02045	0.9
123.04468	0.7
124.04822	1.2
125.04366	1.1
127.03893	0.7
128.98605	1.0
129.04054	0.7
131.01924	14.3
131.05600	0.8
132.04457	1.1
132.10179	1.4
132.95779	0.9
133.03485	29.3
137.01973	1.2
137.02972	15.3
139.02490	0.8
141.00314	1.5
142.03510	1.8
143.00241	0.8
143.01907	1.2
145.03487	4.2
146.04198	0.7
147.01413	1.8
147.05011	1.8
148.05183	1.2
149.02965	4.4
149.06630	0.8
149.96176	1.3
151.04533	7.5
155.01855	0.9
155.04660	5.2
155.54834	0.6
156.07727	0.9
157.03482	12.0
158.97478	0.6
158.99760	1.4
159.01419	12.8
159.05026	1.1
159.06877	0.7
161.02977	3.7
163.04549	1.7
164.05167	1.8
165.06018	0.6
166.06281	0.8
169.03433	5.1
171.00940	3.9
171.05121	1.0
171.06729	0.7
173.01465	1.1
173.02971	3.7
175.04520	5.3
177.00893	1.2
177.02487	3.2
183.01447	2.8
185.01425	1.2
185.02980	3.4
187.04543	100.0
188.04593	3.3
189.02374	1.4
189.07773	1.7
191.04036	2.1
197.02954	11.6
197.05855	1.4
197.12914	1.7
199.04520	2.1
201.00821	1.1
201.02461	28.1
201.06172	1.0
203.04024	1.1
205.03726	1.2
205.05591	28.4
206.05919	0.8
207.03455	0.9
207.05199	0.8
210.06157	2.6
213.00909	1.3
215.04021	43.3
216.04146	1.0
217.05612	2.1
219.01910	1.0
219.03542	15.4
220.04486	0.9
221.05043	1.2
224.04121	1.2
225.12389	1.4
233.05095	9.1
233.08647	1.0
238.05661	1.7
243.03152	2.8
243.08447	4.5
243.10661	1.2
243.13449	7.6
243.16086	2.6
261.04498	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39963	3.9
55.01877	7.2
57.03454	18.9
58.06596	14.0
58.10506	4.0
61.01141	3.8
61.02933	13.5
71.01359	13.4
71.04993	7.2
71.54414	5.6
72.93794	3.8
73.02916	11.3
78.03793	4.9
82.01443	6.7
83.06115	6.6
84.08131	7.3
85.02899	8.5
87.04456	11.6
89.02406	12.1
97.02904	5.7
100.02517	7.9
101.00877	9.6
101.02387	30.7
103.03936	5.9
104.10764	5.2
110.07195	10.0
115.03942	41.9
119.01920	14.7
123.04472	21.8
124.03959	7.0
127.03864	3.8
128.10722	3.6
129.01826	29.8
131.01923	5.3
132.02075	5.5
133.03470	9.7
143.03415	21.4
144.99861	6.3
147.05058	4.1
157.01337	38.5
161.03067	6.7
161.04436	24.2
165.05467	6.4
171.02765	4.8
172.99358	13.0
187.00912	9.7
189.03946	100.0
196.00900	14.3
197.10023	4.6
207.05145	5.3
214.02025	6.5
219.03552	4.9
228.03407	6.8
230.36183	4.9
242.09993	11.6
242.15790	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	242.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87359	1.6
55.05515	2.1
56.05038	4.5
56.96572	12.9
57.03408	2.0
61.01156	12.1
61.02927	2.0
67.05521	3.7
69.03414	2.3
69.07067	7.2
70.06597	4.8
71.05003	2.1
71.54646	1.5
78.03101	1.8
78.03800	30.2
79.05507	1.7
80.05009	1.8
81.03430	2.2
81.07098	2.6
83.06113	40.0
84.04507	5.0
84.08147	5.8
84.96024	2.5
85.02897	3.2
86.09705	8.6
91.05473	2.0
95.04970	15.6
97.02902	2.4
98.97595	18.0
99.04453	1.8
107.04951	2.3
109.06496	2.0
110.07204	2.3
110.97608	1.9
112.03766	2.8
112.07639	2.2
112.76080	2.0
116.98633	9.8
123.04442	100.0
123.86667	1.8
124.03974	43.8
124.04784	1.9
126.05529	2.8
128.98582	2.8
129.10239	4.0
136.03979	3.5
136.07561	2.7
140.07080	6.5
143.00146	2.2
146.99663	2.6
153.05228	5.0
155.04648	2.2
158.99686	5.2
161.01263	2.3
162.05443	2.3
165.05495	38.2
168.06584	5.2
170.02785	2.2
173.01329	1.9
177.00755	5.6
178.08612	1.7
189.00746	1.8
191.02190	2.2
196.06058	3.8
196.14430	3.5
206.08144	2.2
218.99696	1.9
219.01782	7.3
224.09021	3.8
237.00687	4.9
237.02910	8.6
242.06624	11.6
242.09998	48.0
242.15102	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	241.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.9
55.01863	6.8
55.05514	53.5
56.96564	4.1
57.03435	3.0
57.07066	8.1
59.04987	5.4
67.05508	87.9
69.03429	4.8
69.06725	2.8
69.07072	32.5
71.04996	5.6
71.56239	3.7
73.02915	2.6
79.05071	3.4
79.05499	55.0
80.05024	4.7
81.06589	3.9
81.07062	75.6
81.38586	2.2
83.04562	2.3
83.04990	17.4
83.08612	15.1
85.02919	19.6
85.06553	11.4
91.05479	23.3
93.07046	92.7
95.04964	8.9
95.08612	88.6
97.02899	3.3
97.06580	11.5
97.10179	15.5
97.67080	2.5
98.97588	4.0
99.04456	4.7
101.06007	11.7
103.97575	2.2
105.07033	13.7
106.64074	2.3
107.04930	6.9
107.08600	55.3
109.06480	4.1
109.09467	4.3
109.10164	61.1
111.04465	11.9
111.08073	5.6
113.06007	4.3
115.67282	2.5
117.06991	8.3
119.08582	16.2
121.06467	6.3
121.10149	100.0
123.08047	7.7
123.11697	5.5
125.06024	5.0
125.09621	4.3
127.07599	3.1
129.05455	2.7
131.08594	18.4
133.10152	12.3
135.08072	10.3
135.11705	34.0
137.09613	6.9
139.07532	7.8
139.11142	4.5
142.03212	15.1
143.08501	2.9
145.10129	16.1
147.11600	3.6
149.09633	14.9
149.13255	4.5
151.11159	12.1
153.09071	7.6
158.99715	2.9
159.11653	6.7
161.13235	3.1
163.11176	6.6
163.14833	14.0
167.10696	5.9
171.11688	4.4
177.16393	79.5
181.08702	2.5
181.12221	9.4
187.14821	33.1
205.15875	30.6
213.09198	3.7
223.08722	4.5
223.13319	7.1
223.16922	31.4
241.08733	8.9
241.12138	3.3
241.15822	4.2
241.17856	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	241.18
Annotation	Chokol F
Peak:m/z	Relative Intensity
53.03947	4.9
55.01863	6.8
55.05514	53.5
56.96564	4.1
57.03435	3.0
57.07066	8.1
59.04987	5.4
67.05508	87.9
69.03429	4.8
69.06725	2.8
69.07072	32.5
71.04996	5.6
71.56239	3.7
73.02915	2.6
79.05071	3.4
79.05499	55.0
80.05024	4.7
81.06589	3.9
81.07062	75.6
81.38586	2.2
83.04562	2.3
83.04990	17.4
83.08612	15.1
85.02919	19.6
85.06553	11.4
91.05479	23.3
93.07046	92.7
95.04964	8.9
95.08612	88.6
97.02899	3.3
97.06580	11.5
97.10179	15.5
97.67080	2.5
98.97588	4.0
99.04456	4.7
101.06007	11.7
103.97575	2.2
105.07033	13.7
106.64074	2.3
107.04930	6.9
107.08600	55.3
109.06480	4.1
109.09467	4.3
109.10164	61.1
111.04465	11.9
111.08073	5.6
113.06007	4.3
115.67282	2.5
117.06991	8.3
119.08582	16.2
121.06467	6.3
121.10149	100.0
123.08047	7.7
123.11697	5.5
125.06024	5.0
125.09621	4.3
127.07599	3.1
129.05455	2.7
131.08594	18.4
133.10152	12.3
135.08072	10.3
135.11705	34.0
137.09613	6.9
139.07532	7.8
139.11142	4.5
142.03212	15.1
143.08501	2.9
145.10129	16.1
147.11600	3.6
149.09633	14.9
149.13255	4.5
151.11159	12.1
153.09071	7.6
158.99715	2.9
159.11653	6.7
161.13235	3.1
163.11176	6.6
163.14833	14.0
167.10696	5.9
171.11688	4.4
177.16393	79.5
181.08702	2.5
181.12221	9.4
187.14821	33.1
205.15875	30.6
213.09198	3.7
223.08722	4.5
223.13319	7.1
223.16922	31.4
241.08733	8.9
241.12138	3.3
241.15822	4.2
241.17856	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	240.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.3
55.05505	0.8
56.05029	0.4
56.96547	1.4
57.07060	0.9
61.14591	0.3
65.32587	0.3
67.05508	0.6
69.03410	0.5
69.07055	1.2
70.06590	0.8
71.51329	0.3
71.54987	0.4
72.04507	1.0
72.16569	0.3
73.02912	0.5
74.06082	0.5
79.05495	1.0
80.04990	0.5
81.07057	1.7
82.06587	0.5
83.08628	0.7
85.02905	0.6
85.06525	0.4
91.05489	0.8
93.07036	1.3
94.06540	0.7
95.08606	1.7
96.08142	0.5
98.97568	0.9
105.07035	0.5
107.04893	0.3
107.08602	0.6
108.08112	0.9
109.10154	0.6
109.23373	0.3
112.07585	0.5
114.09180	0.4
116.98571	0.4
120.08103	1.3
122.09675	1.2
122.58803	0.3
124.03927	1.8
124.07584	4.4
128.10710	0.5
133.10138	0.3
135.11707	0.9
136.11194	2.3
137.13287	0.5
138.09128	0.8
139.09941	0.9
140.10683	0.5
142.12279	1.3
150.12781	1.3
151.13615	0.8
152.10719	2.3
152.14330	0.5
153.11465	0.9
154.12271	2.1
166.12279	4.5
167.13019	2.4
168.13849	0.9
178.15945	0.4
180.06592	1.3
194.15411	2.3
196.16977	100.0
197.17337	1.5
198.18553	1.6
217.01691	0.6
217.72366	0.3
222.10980	0.3
240.03038	0.4
240.06960	0.6
240.09251	2.0
240.19597	47.9
241.10452	1.0
241.19859	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0862
Annotation	2',4'-Dihydroxychalcone
Peak:m/z	Relative Intensity
53.03947	0.9
56.96561	1.6
57.07054	1.1
67.05508	1.2
68.03581	0.7
68.99787	3.5
69.03410	0.7
69.07065	1.0
69.17525	4.4
69.17951	2.9
73.31380	0.8
79.05489	5.0
81.03417	7.1
81.07070	1.5
81.64584	0.7
82.94565	0.6
91.05495	2.2
93.07080	0.9
95.08619	1.4
96.02127	0.9
98.97580	2.2
103.05475	27.8
107.04961	5.3
109.02892	0.8
116.98636	1.2
117.03400	2.1
121.04140	0.8
129.07048	1.4
131.04939	44.6
135.04387	2.6
137.02347	100.0
142.07724	1.1
143.08566	2.3
145.06425	0.9
147.04439	0.8
149.13441	0.8
152.06238	3.1
153.07002	1.8
155.03369	1.6
155.08546	3.7
157.06525	1.4
157.10164	1.3
163.03903	5.7
165.06987	2.7
166.07701	0.8
167.08549	4.5
170.07315	0.7
171.08040	5.4
171.11739	1.1
177.06999	0.9
178.07732	1.5
181.06424	2.4
182.51097	0.7
185.13297	0.9
194.92509	1.2
195.08069	10.8
199.07565	1.6
213.09073	3.3
223.07553	6.9
226.06279	7.5
241.08606	91.5
241.19684	3.5
242.08900	2.0
245.12671	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.237
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.03960	1.8
55.05514	26.2
57.07077	8.7
58.77132	0.6
60.16011	0.6
65.03927	0.9
67.05508	68.7
69.04554	0.7
69.07072	27.2
69.86340	4.0
71.05005	1.4
71.08624	2.9
73.06279	0.6
76.55968	0.6
79.05494	5.9
81.07061	67.4
83.08624	36.4
85.06554	4.7
85.10179	1.6
86.45366	0.7
89.06052	6.2
91.05488	1.1
93.07037	4.5
95.06098	1.3
95.08611	100.0
96.05645	1.1
97.10167	14.1
99.04475	0.8
99.08107	2.3
107.08609	0.7
109.10161	36.7
111.11739	2.4
113.08255	7.4
119.08542	0.7
123.11703	11.3
133.08617	2.1
137.08244	7.2
137.13264	3.1
146.98846	0.7
147.11722	1.2
151.14839	1.0
155.09335	3.7
161.08250	4.5
164.06677	0.7
179.09288	8.1
197.10333	5.4
219.13893	0.7
221.22597	1.0
222.42650	0.6
239.08911	3.1
239.18260	1.1
239.23721	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2371
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.03944	1.2
55.05516	23.0
56.96567	1.4
57.07082	8.5
65.03937	1.2
67.05510	59.5
69.07073	26.4
70.11017	2.0
71.08623	2.7
79.05502	5.3
81.07063	60.0
83.08624	30.5
85.06552	4.3
85.10183	1.1
91.05462	0.6
93.07035	3.7
95.08614	100.0
96.08956	0.8
97.10175	13.3
99.08102	1.1
109.10163	31.0
111.11716	2.2
123.11716	10.1
123.12580	0.6
125.13284	1.6
137.13269	2.9
138.28082	0.5
151.14850	1.3
158.42880	0.5
160.04907	0.5
165.16348	1.0
179.17818	0.6
183.92712	0.4
198.34781	0.4
221.22774	0.9
239.08875	5.0
239.18033	1.3
239.23782	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.05515	25.1
57.07080	10.3
58.75146	0.8
60.35305	0.9
60.75117	0.9
65.03937	2.4
67.05511	60.7
69.07076	27.1
70.98782	1.8
71.08621	2.2
74.30670	0.9
79.05503	5.2
81.07064	62.7
83.08626	35.1
83.80687	0.9
85.06538	3.7
89.06038	7.1
93.07034	4.2
95.08616	100.0
97.10177	14.6
99.08071	1.4
109.10168	32.4
111.11721	3.0
113.08246	2.3
123.11727	12.0
133.08621	2.5
134.42084	1.0
137.08211	3.5
137.13255	3.5
151.14833	1.3
155.09273	3.0
158.96510	0.9
160.30829	1.0
161.08209	3.1
168.54100	1.0
170.65547	0.9
173.80759	1.0
179.09251	5.7
197.10345	7.3
219.40013	0.9
221.11832	1.0
222.68846	1.1
222.82948	0.9
239.08820	1.9
239.18144	3.1
239.23688	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2371
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.03947	1.0
55.05515	26.8
57.03418	0.8
57.07086	9.0
65.03933	2.2
67.05509	59.0
68.05023	1.4
69.03451	1.2
69.07072	27.1
70.65557	2.5
71.04984	1.5
71.08632	3.7
79.05489	6.2
81.07063	68.2
83.04967	0.8
83.08625	33.8
85.06563	4.4
85.10200	1.3
89.06030	5.3
91.05475	1.7
93.07082	4.5
95.06075	1.4
95.08614	100.0
96.05627	1.1
97.06477	1.4
97.10178	17.1
99.08099	2.3
105.07029	1.8
107.08569	0.9
107.85516	0.8
109.06564	1.4
109.10170	33.7
111.11724	3.0
113.08268	9.9
123.11725	11.6
125.13270	1.0
133.08629	1.8
137.08232	9.5
137.09308	1.3
137.09494	1.1
137.13231	3.8
151.14842	1.4
155.09343	4.6
161.06137	0.8
161.08250	6.4
165.16377	1.0
179.09308	11.0
179.10709	1.1
197.10315	6.8
197.11543	0.7
221.22612	1.5
239.05432	0.9
239.08861	1.3
239.23607	1.2
243.01060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2009
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.01846	3.0
55.05517	30.6
56.77525	2.8
56.96569	23.3
57.03425	8.4
57.07084	20.4
59.05010	27.5
67.05239	2.5
67.05505	31.1
69.03425	4.4
69.07076	39.1
71.04988	11.2
71.08635	4.0
71.35001	5.6
71.95267	3.7
79.05498	18.9
81.07063	94.7
83.04966	6.7
83.08620	21.1
85.02866	4.5
85.06525	8.9
87.04464	3.7
90.93936	2.6
91.05467	13.3
91.98853	2.5
93.07050	29.6
95.04984	4.6
95.08617	96.3
97.06525	11.3
97.10183	18.1
98.97575	11.6
99.04464	2.8
99.08055	4.5
105.07035	20.8
107.08611	49.3
109.06503	6.2
109.10166	52.8
111.04470	3.2
111.08068	10.7
111.11698	11.4
111.31892	3.0
111.81860	3.1
115.07565	4.1
116.98656	3.2
117.68928	2.5
119.08587	28.7
121.10144	37.0
123.04412	6.6
123.08066	6.5
123.11713	37.0
125.09635	11.3
127.11199	4.2
133.10152	31.2
135.11699	26.1
137.05881	3.0
137.09618	7.8
137.13266	79.9
139.11174	22.9
143.10674	7.4
145.01753	2.8
145.10152	5.4
147.11682	27.4
149.13286	15.1
151.11172	10.6
151.14828	4.6
153.12727	8.1
157.12263	4.0
161.09599	3.6
161.13269	20.0
163.14825	31.7
165.12708	7.4
174.19150	2.5
175.14871	3.4
177.16373	11.3
179.10658	3.6
179.17963	3.9
193.19511	3.4
197.13463	2.6
203.17964	52.7
204.80614	2.5
213.08006	18.3
221.15511	3.8
221.19008	56.2
226.24054	2.8
231.09061	17.6
239.06944	4.0
239.08897	100.0
239.18053	4.3
239.20027	33.1
254.33466	2.5
257.06946	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	239.1644
Annotation	Canusesnol H
Peak:m/z	Relative Intensity
53.03936	4.9
55.01874	11.4
55.05521	24.5
56.96575	7.1
57.03443	59.7
57.07071	4.8
65.03999	3.5
65.95379	3.3
67.05511	57.2
69.03438	4.6
69.07076	27.8
71.05001	100.0
71.55541	4.4
78.87409	3.4
79.05499	61.1
81.07066	70.6
83.05001	15.8
83.08628	16.4
85.02911	6.0
85.06538	18.5
87.42319	3.5
91.05492	67.0
92.36771	3.5
93.07055	75.0
95.05000	23.1
95.08617	40.3
97.06544	18.0
97.10188	6.1
98.97585	10.0
99.04440	5.1
99.08115	12.7
103.05495	4.9
105.07041	54.1
107.04984	10.3
107.08605	68.4
109.06534	37.6
109.10162	28.2
111.04449	4.4
111.08098	8.9
113.06043	4.0
116.23896	3.2
117.07036	12.8
119.08600	69.7
121.06496	4.0
121.10154	29.0
123.04427	3.5
123.08076	38.1
125.06036	4.8
125.09653	9.5
127.07591	7.8
129.07024	12.0
131.08594	49.8
133.06526	5.4
133.10146	48.1
135.08058	24.2
135.11732	4.2
137.06012	6.7
137.09637	29.8
137.13231	4.3
139.11263	3.8
143.08562	14.5
145.10214	7.7
146.41002	3.0
147.11713	31.9
149.09642	38.3
151.07617	4.1
151.11224	31.4
153.09117	4.2
155.08527	4.8
157.10190	11.4
159.11728	8.1
161.09665	9.1
161.13280	32.5
163.11214	5.1
165.12790	18.3
166.05058	4.9
175.11168	4.8
175.14828	26.2
179.10652	4.8
185.13281	40.1
193.15886	3.7
197.13300	3.9
203.14355	47.7
204.62567	3.6
211.07559	3.5
215.99310	3.6
221.08163	5.6
221.15390	57.6
239.07028	7.2
239.09039	35.1
239.11194	5.2
239.12418	4.2
239.16454	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	239.1644
Annotation	Canusesnol H
Peak:m/z	Relative Intensity
53.03957	6.5
55.01864	12.9
55.05515	41.6
56.96560	5.1
57.03444	44.1
57.07071	10.3
62.68471	2.9
63.07178	2.9
65.03923	4.5
65.96794	3.0
67.05183	5.4
67.05512	92.0
69.03419	6.8
69.07072	45.9
69.29026	16.1
69.29449	13.0
71.05005	58.4
79.05499	71.8
81.07067	89.3
83.04991	23.3
83.08623	13.2
85.02885	9.3
85.06541	17.6
87.04457	11.3
91.05486	79.7
93.07050	83.0
95.04952	13.8
95.08613	100.0
97.06529	30.8
97.10167	7.3
98.97586	11.0
99.04458	4.5
99.08088	10.5
101.06007	15.4
105.07037	73.5
107.04946	9.5
107.08607	68.3
109.06522	38.9
109.10162	39.3
109.10847	5.0
111.04431	12.8
111.08069	14.9
113.05998	5.5
117.07016	16.4
119.08587	86.8
121.06491	10.0
121.10153	33.2
123.04419	9.9
123.08042	26.7
123.11723	5.9
123.57687	3.1
125.05957	6.1
125.09653	6.8
127.07542	4.9
128.06233	4.3
129.05542	6.3
129.07014	18.4
131.07607	3.7
131.08575	61.8
133.06473	7.0
133.10130	55.2
135.08055	20.0
135.11687	8.9
137.05968	8.3
137.09622	31.3
139.07526	6.8
139.11140	6.2
143.08539	20.1
145.10127	9.3
147.08063	12.7
147.11705	38.2
149.09631	49.3
151.11205	20.0
153.09106	8.4
157.10136	12.3
159.11679	15.7
161.09607	11.0
161.13271	36.3
163.11145	3.7
165.12773	14.1
167.10757	3.1
169.10153	3.8
175.11183	9.4
175.14847	31.2
179.10727	3.5
179.14249	4.3
183.11679	3.1
185.13280	51.4
193.15884	3.5
197.13295	5.5
203.14357	49.4
216.17343	3.0
221.15372	54.7
239.06923	4.4
239.08969	46.8
239.12628	5.4
239.16402	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	239.1644
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
53.03942	0.7
55.01850	0.4
55.05516	2.3
57.07077	1.9
59.73171	0.2
65.03938	0.3
67.05506	3.3
68.99793	4.2
69.07072	2.5
69.63007	1.0
71.01374	0.3
71.04980	0.3
71.08627	1.0
72.51396	0.3
78.20061	0.3
79.05477	0.9
81.03432	2.2
81.07070	3.1
83.04984	0.7
83.08611	0.7
85.02886	0.4
85.10210	0.3
87.00832	2.6
91.05480	1.0
93.07039	0.6
95.04955	1.0
95.08602	2.4
97.02908	0.4
97.06561	0.4
97.10154	0.3
98.21452	0.4
99.04422	0.3
105.03394	0.4
105.07063	0.5
107.08595	0.5
109.02889	1.2
109.06492	0.4
109.10160	0.5
111.00799	1.1
111.04483	0.4
112.99232	0.3
113.02357	1.4
115.57643	0.2
123.04465	0.7
126.03142	3.6
127.03911	1.1
139.03932	0.8
173.02667	0.3
183.10139	1.0
187.00687	0.3
187.02402	0.6
196.02939	0.6
197.11734	0.8
202.02977	0.4
208.53349	1.1
210.02567	0.3
210.46397	0.3
211.13226	0.4
211.16907	1.1
212.33928	0.3
217.53914	1.4
225.04953	1.6
227.55281	2.8
228.05467	0.4
236.55855	1.7
237.06007	0.5
239.08911	2.3
239.16435	100.0
240.16762	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	6.5
55.01864	12.9
55.05515	41.6
56.96560	5.1
57.03444	44.1
57.07071	10.3
62.68471	2.9
63.07178	2.9
65.03923	4.5
65.96794	3.0
67.05183	5.4
67.05512	92.0
69.03419	6.8
69.07072	45.9
69.29026	16.1
69.29449	13.0
71.05005	58.4
79.05499	71.8
81.07067	89.3
83.04991	23.3
83.08623	13.2
85.02885	9.3
85.06541	17.6
87.04457	11.3
91.05486	79.7
93.07050	83.0
95.04952	13.8
95.08613	100.0
97.06529	30.8
97.10167	7.3
98.97586	11.0
99.04458	4.5
99.08088	10.5
101.06007	15.4
105.07037	73.5
107.04946	9.5
107.08607	68.3
109.06522	38.9
109.10162	39.3
109.10847	5.0
111.04431	12.8
111.08069	14.9
113.05998	5.5
117.07016	16.4
119.08587	86.8
121.06491	10.0
121.10153	33.2
123.04419	9.9
123.08042	26.7
123.11723	5.9
123.57687	3.1
125.05957	6.1
125.09653	6.8
127.07542	4.9
128.06233	4.3
129.05542	6.3
129.07014	18.4
131.07607	3.7
131.08575	61.8
133.06473	7.0
133.10130	55.2
135.08055	20.0
135.11687	8.9
137.05968	8.3
137.09622	31.3
139.07526	6.8
139.11140	6.2
143.08539	20.1
145.10127	9.3
147.08063	12.7
147.11705	38.2
149.09631	49.3
151.11205	20.0
153.09106	8.4
157.10136	12.3
159.11679	15.7
161.09607	11.0
161.13271	36.3
163.11145	3.7
165.12773	14.1
167.10757	3.1
169.10153	3.8
175.11183	9.4
175.14847	31.2
179.10727	3.5
179.14249	4.3
183.11679	3.1
185.13280	51.4
193.15884	3.5
197.13295	5.5
203.14357	49.4
216.17343	3.0
221.15372	54.7
239.06923	4.4
239.08969	46.8
239.12628	5.4
239.16402	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	239.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
56.96557	3.8
57.07058	1.1
62.52630	0.9
67.05492	3.7
69.07059	2.7
70.06595	1.2
71.04984	4.3
71.08645	1.6
71.35310	1.9
78.88028	1.0
79.05487	3.3
81.03407	1.3
81.07066	5.6
83.04981	1.8
83.08598	1.9
84.08131	2.3
85.02881	1.6
89.06008	1.6
91.05498	4.2
93.07021	2.1
95.04948	3.2
95.08596	3.5
98.97562	2.5
103.05473	37.7
105.07013	1.1
106.82452	0.9
107.04402	1.1
107.04967	12.2
109.10116	2.1
116.98605	1.1
119.04927	3.7
119.08520	1.4
121.02850	2.1
121.06489	4.2
123.04444	2.6
129.03343	1.6
131.04938	74.4
133.10158	1.3
135.04425	2.9
137.09546	1.0
147.04408	21.7
148.05080	1.3
149.05991	34.5
151.03905	1.1
159.04430	29.4
165.05502	3.9
175.03917	41.1
176.04665	3.2
177.05481	100.0
179.03409	1.3
179.10503	1.2
187.05019	6.4
193.04976	18.6
203.03406	48.1
221.04457	62.3
221.11617	1.6
239.05350	6.5
239.08922	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.8
55.01881	13.6
55.05516	64.8
55.36415	1.7
56.96563	8.0
60.04499	2.2
66.25494	1.7
69.07079	3.9
70.06600	10.8
70.86043	3.8
70.86370	2.4
72.08134	2.6
72.81050	1.9
73.02917	8.0
74.00680	21.1
74.02463	2.0
74.38711	1.9
74.99066	7.1
78.98547	3.4
79.05502	7.4
81.07063	60.6
83.08627	27.2
84.04509	2.7
84.08135	2.3
85.02913	1.9
88.03997	100.0
91.05465	4.3
92.01712	14.7
97.92173	2.0
98.97579	6.1
99.08102	19.1
102.98565	12.5
103.05457	9.3
105.07043	13.2
107.04953	4.5
111.05496	2.2
114.05520	5.7
115.05817	9.5
115.49577	2.3
116.07105	4.2
117.05751	2.3
118.06509	9.3
119.07319	7.4
120.01183	29.4
120.08108	10.2
120.99573	81.1
123.35601	2.1
129.06992	4.9
131.04945	4.5
133.06807	6.2
135.49202	2.0
136.93115	12.1
138.02205	74.9
146.09663	84.1
147.06374	7.3
149.55962	1.8
151.07793	2.0
154.94176	17.6
155.05324	1.9
161.16982	1.7
164.10672	2.8
172.95268	21.8
190.96307	8.2
192.10202	90.1
193.10515	2.2
198.37158	1.8
238.10918	16.2
239.08934	7.6
252.10410	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	238.144
Annotation	9-Tigloylretronecine
Peak:m/z	Relative Intensity
53.03948	6.5
55.01885	1.6
55.05506	14.0
55.25376	1.1
55.35793	1.1
56.05030	2.4
56.96560	4.2
57.84794	1.1
58.06584	1.3
59.22165	1.3
69.03423	1.7
69.07070	9.6
69.40151	1.2
70.06593	6.3
71.54057	1.2
72.08146	5.8
73.06561	11.6
74.50638	1.2
75.45624	1.1
76.56993	1.2
77.03926	2.5
77.91252	1.1
79.05489	6.5
80.05015	1.5
82.06559	1.4
83.04988	1.4
83.73055	1.2
84.04467	1.1
84.08135	5.7
85.02892	3.3
86.09737	1.4
88.04005	8.3
91.05486	5.6
93.07040	4.3
95.04975	5.1
96.08095	1.5
97.02869	2.0
97.06528	3.6
98.97580	2.6
103.05475	15.4
105.03402	100.0
105.04523	3.8
105.07037	12.9
106.03709	1.5
106.06528	1.5
107.04971	5.8
108.08899	1.2
109.06474	1.6
115.05464	1.9
115.07579	3.9
116.03483	1.4
116.98562	1.5
117.07014	9.8
118.06542	2.5
119.07305	1.7
119.08527	1.2
120.08117	97.0
121.08470	1.4
122.06004	2.1
123.04449	2.5
129.06995	4.5
129.10234	1.8
131.04942	6.9
131.08459	1.3
132.08057	1.8
136.07552	1.7
137.05887	1.3
141.03108	1.3
142.07814	1.5
145.10118	2.0
146.09702	2.0
149.06015	2.5
154.04993	6.2
157.10191	1.4
166.08617	9.0
172.95259	1.5
174.12799	72.3
192.06584	1.8
192.10214	4.0
192.13852	66.4
206.04523	1.9
210.05934	2.6
220.02086	1.4
220.09694	3.3
220.13322	15.9
221.06693	2.2
238.05356	8.5
238.10692	4.2
238.14404	65.7
238.18121	3.9
239.08929	11.9
239.14575	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1077
Annotation	Fumariflorine
Peak:m/z	Relative Intensity
56.96568	3.0
57.03439	0.9
59.25656	0.8
62.00700	0.9
69.03426	1.3
69.07082	1.9
70.06593	4.7
71.54816	1.2
79.05508	4.2
81.07051	1.7
84.04520	2.2
84.08131	3.2
85.02888	1.1
91.05483	4.1
93.06985	0.9
95.06914	1.0
97.02922	1.1
98.97577	3.0
103.05482	7.6
105.07043	12.7
106.06538	1.4
107.04972	3.8
110.06050	5.3
116.07114	1.6
117.05769	1.7
118.06561	9.6
119.06562	1.3
119.07337	13.7
119.08543	1.9
120.08134	14.6
121.06500	1.5
121.08439	7.2
124.03960	2.4
129.07036	5.9
130.06491	2.0
130.50050	1.1
131.04936	2.6
131.07262	2.0
132.08093	10.1
136.06227	1.0
136.93144	2.5
144.08130	1.5
146.09668	87.1
147.06363	2.0
149.05988	1.6
152.07053	0.9
154.94247	4.6
163.03963	1.0
164.06969	1.3
164.10664	2.1
172.95258	8.5
174.09164	1.6
175.05840	1.3
178.08633	1.7
190.96376	2.1
192.10214	100.0
192.58203	1.0
193.10597	1.1
209.93243	1.0
220.02487	1.9
220.06496	0.8
220.09622	1.0
232.97430	1.0
238.06993	1.7
238.08821	1.2
238.10826	13.5
238.12898	1.6
239.08948	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	237.1852
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
50.53156	2.2
52.31479	2.1
53.03932	6.9
55.01867	9.4
55.05519	14.4
56.96568	26.0
57.03429	9.1
57.03691	2.3
57.07070	4.2
59.04991	3.7
65.03927	2.4
67.05505	24.7
69.03438	41.4
69.07070	22.5
70.22376	8.2
71.04999	61.0
79.05505	37.2
81.03400	7.9
81.06588	4.4
81.07064	76.6
81.42615	2.2
83.04990	13.9
83.08617	7.3
85.02898	6.8
85.06539	5.6
91.05489	30.0
93.03401	2.3
93.07053	37.8
95.04971	18.9
95.08619	27.0
97.02890	4.3
97.06552	14.6
98.97591	29.2
99.08103	14.0
104.07201	2.2
105.07043	42.8
107.04947	8.8
107.08607	50.1
109.02843	3.7
109.06522	40.2
109.10161	28.9
111.04470	2.5
111.08106	3.7
113.05981	3.0
113.09683	2.4
115.05453	4.5
116.98597	8.4
117.06999	13.7
118.95827	2.1
119.04935	2.4
119.08614	22.1
120.08088	6.9
121.06490	8.4
121.10155	23.5
123.04424	3.5
123.08076	15.6
123.11722	21.0
125.09630	12.8
127.07554	9.4
127.11205	74.5
128.98621	2.9
129.07007	2.7
131.08563	19.2
133.06462	3.5
133.10144	55.3
134.99655	4.6
135.08115	12.5
135.11673	8.7
137.05960	4.9
137.09596	3.7
139.11209	8.2
143.00119	4.0
143.10669	15.5
145.06488	4.9
145.10123	28.0
146.05960	3.2
147.07997	2.8
147.11755	12.2
147.22984	2.1
149.02377	6.1
149.05940	3.6
149.09619	6.4
149.13293	5.5
151.07660	2.9
151.11197	100.0
155.10704	22.4
156.07999	7.1
158.99683	9.8
159.11732	23.4
161.01151	3.7
163.03903	3.2
163.07533	10.2
163.11217	7.1
165.05470	3.5
173.06076	3.5
173.13269	7.4
175.11230	3.2
177.00760	5.8
177.05496	3.7
177.09192	2.9
177.12804	11.0
181.00139	2.3
186.09004	2.9
190.98560	3.7
191.07196	11.6
191.14366	5.4
192.09134	3.2
192.59251	3.0
193.04842	3.5
193.12267	5.5
198.09084	3.2
201.12752	8.4
201.16380	5.8
205.04266	2.6
207.09665	8.2
209.06888	4.5
219.06549	8.7
219.10002	6.1
219.13902	19.0
219.17401	9.4
228.10115	7.5
237.07521	21.1
237.11008	19.4
237.14799	24.1
237.18538	16.5
237.22215	4.0
237.60873	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Sirenin
Peak:m/z	Relative Intensity
55.01875	6.2
55.05519	16.9
56.96567	14.9
57.03437	6.5
57.07067	6.1
57.18307	2.3
65.03947	4.2
67.05515	20.8
69.03436	41.8
69.07079	15.1
70.93871	3.4
71.04996	68.4
79.05490	26.0
81.03432	3.7
81.06583	3.8
81.07063	70.3
83.04990	7.5
83.08639	3.8
85.02908	7.6
85.06540	6.4
87.04475	4.5
91.05485	18.1
93.07046	28.9
95.04980	10.8
95.08605	23.9
97.02888	4.4
97.06535	9.5
97.10200	2.4
98.97591	14.5
99.04453	2.6
99.08095	16.3
105.07024	34.5
107.04977	4.7
107.08607	39.2
109.06535	33.2
109.10158	32.1
111.08083	3.9
115.03928	2.3
116.30759	2.2
116.98653	4.4
117.07032	6.5
118.23806	2.0
118.47865	2.1
119.08588	16.7
121.06504	4.1
121.10134	16.3
123.08093	8.8
123.11710	25.9
125.05983	2.7
125.09660	13.6
125.22632	2.1
127.07563	8.3
127.11199	66.3
128.98642	2.0
131.08592	9.1
133.10133	51.6
135.08038	3.9
135.11737	8.7
139.03963	2.6
139.11208	7.5
143.10713	14.2
145.06445	2.8
145.10130	29.8
147.07687	2.5
147.11696	10.0
148.02759	2.0
149.02377	23.3
149.03493	4.2
149.06030	3.0
149.09622	4.4
149.13290	4.1
151.11192	96.2
155.10669	25.7
158.99719	3.6
159.08092	2.2
159.11719	9.0
161.13306	3.6
163.11214	4.2
165.08583	4.6
173.13286	4.4
177.00763	5.4
177.05496	3.4
177.12798	5.2
177.16479	2.5
191.17950	2.6
193.04953	17.5
201.05661	2.1
201.16479	8.2
202.66420	2.4
207.09801	3.6
216.10211	3.8
219.09880	2.2
219.13953	4.2
219.17482	7.4
228.10294	6.7
237.07422	23.0
237.10944	15.3
237.15797	100.0
237.18497	13.5
237.22244	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	237.1852
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03948	3.2
55.01873	5.1
55.05512	13.1
56.96560	4.3
57.03435	5.2
57.07076	3.3
59.05013	4.6
59.50139	1.9
67.05517	19.9
69.03442	33.2
69.07071	15.9
71.04997	63.7
75.70939	1.8
76.79710	1.9
79.05501	19.6
81.03419	3.8
81.07063	63.8
81.90894	2.3
83.04981	5.4
83.08612	2.9
85.06535	7.6
91.05489	15.8
93.07056	29.1
95.04981	16.3
95.08617	28.7
97.02850	2.7
97.06531	11.9
97.10172	6.2
98.21545	3.8
98.97575	6.4
99.08088	19.6
105.07034	37.5
107.04982	3.3
107.08598	31.2
109.06528	35.9
109.10171	32.0
111.04446	2.1
111.11696	1.8
115.05471	1.8
116.98674	2.2
117.07014	6.0
119.08606	15.9
121.06542	5.0
121.10160	19.2
123.08032	10.0
123.11713	23.4
125.09637	12.3
127.07576	6.3
127.11204	76.3
130.07864	2.4
131.08575	8.8
133.10139	58.4
135.08089	5.1
135.11687	8.7
137.05930	1.9
139.11182	6.8
140.23100	1.8
143.10648	13.8
145.06493	2.4
145.10146	33.7
147.11690	9.6
149.09756	1.9
149.13254	3.9
151.11197	100.0
155.10681	26.2
158.99716	3.9
159.11696	10.1
161.13287	5.1
163.03922	2.8
163.11218	6.0
173.13239	4.8
177.12787	6.1
191.14299	3.5
191.18019	2.7
201.12762	3.9
201.16412	10.1
219.13815	6.8
219.17479	12.7
226.29817	2.2
237.07617	2.6
237.14792	11.2
237.18538	16.4
237.22079	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	237.1851
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03938	1.6
55.05518	6.8
56.96561	4.0
57.03440	1.3
57.07077	1.4
67.05509	8.4
69.03430	2.3
69.07080	10.5
70.24946	3.8
70.25289	1.4
71.04985	3.4
79.05497	10.5
81.07066	24.3
83.08618	3.9
91.05493	11.7
93.06478	2.1
93.07054	37.4
95.04977	1.5
95.08622	25.7
97.06534	2.6
97.10165	3.4
99.08096	1.6
105.06389	1.9
105.07043	24.6
107.08609	25.4
109.06534	2.2
109.10169	24.7
111.04404	1.4
111.08086	22.4
117.07022	3.1
119.08595	58.5
121.10155	100.0
123.08041	2.4
123.11702	4.9
125.09623	3.8
127.11224	3.3
131.08580	4.6
133.10135	8.6
134.89502	1.3
135.11696	3.8
139.11205	2.2
144.09322	1.7
145.10138	15.9
147.11613	1.4
149.09622	1.6
149.13295	3.5
150.70181	1.2
157.10091	1.2
159.10457	2.0
159.11705	28.9
161.06001	2.5
161.13280	34.5
161.14603	1.7
163.11237	6.0
163.14847	4.3
170.69737	1.2
173.13298	1.4
175.14914	2.1
177.12756	2.1
177.16399	1.5
179.03560	2.0
179.14311	1.4
181.12251	4.3
191.14424	1.3
197.05437	1.2
201.16397	41.7
206.05959	4.0
209.11737	1.8
210.04724	1.6
219.17456	11.9
232.02573	1.5
237.07700	1.4
237.18555	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	237.1488
Annotation	Placidene D
Peak:m/z	Relative Intensity
53.03939	1.4
53.87495	0.9
55.01861	3.3
55.05522	6.0
56.96560	1.5
57.07061	2.5
58.36867	0.8
65.03958	0.9
67.05235	0.7
67.05509	8.0
68.03919	0.7
68.99448	0.8
68.99799	11.9
69.03415	1.2
69.07065	6.4
71.04990	1.3
71.08652	4.1
72.78710	0.7
79.05113	1.0
79.05499	8.3
81.03419	1.5
81.07067	8.4
83.04993	2.1
83.08620	2.4
87.00838	2.2
91.05490	3.7
93.07053	5.2
95.04946	1.9
95.08628	5.6
97.06541	1.5
97.10133	1.3
99.08081	3.6
105.07018	3.4
107.04991	4.8
107.08595	3.0
109.06517	1.6
109.10117	2.3
111.00843	4.4
111.04449	2.9
111.08096	1.4
117.07013	1.5
119.08621	1.4
121.02838	0.9
121.06451	1.5
121.10153	3.3
123.04418	1.2
124.61137	0.8
125.06013	1.3
129.06310	0.8
130.61438	0.7
131.04819	0.9
133.10052	0.9
135.04433	1.3
135.08046	0.9
135.11671	2.0
139.03909	5.4
145.10121	1.2
147.04422	1.0
149.02336	1.4
149.05975	0.9
149.13235	1.0
152.04677	1.8
157.17519	0.7
159.11691	1.1
171.67004	0.8
179.14371	1.5
191.10686	1.5
193.05019	1.1
199.02382	1.7
209.11790	2.4
217.93814	0.8
219.17465	1.5
237.07611	1.8
237.14870	100.0
237.22142	3.3
238.15207	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03925	3.5
55.01871	8.2
55.05510	11.3
55.48932	3.1
56.96565	13.7
57.07080	22.9
57.23697	2.9
60.99561	3.1
63.40701	3.3
67.05517	21.0
69.03448	3.6
69.07057	16.4
71.05001	100.0
79.05500	11.8
81.03453	3.3
81.07060	30.0
83.05005	15.4
83.08615	9.7
89.06043	29.7
91.05491	12.8
93.07062	38.2
95.04991	6.2
95.08623	21.1
97.06551	11.3
100.58421	3.0
105.07026	21.4
107.04977	8.1
107.08586	31.5
109.02882	7.5
109.06554	8.2
109.10153	24.2
111.04421	18.3
111.08086	5.3
119.08582	17.5
121.06532	5.3
121.10155	23.2
123.08069	4.9
123.11720	6.7
125.05999	5.7
127.11191	24.7
131.08572	14.7
133.10110	11.6
135.04474	4.8
135.08060	9.8
135.11691	7.8
145.10152	20.8
147.11697	45.2
147.62907	3.2
149.02361	8.2
149.09641	28.8
149.13275	70.5
151.11243	17.6
153.05458	10.0
153.09154	3.3
154.94226	3.7
159.11723	7.6
161.13243	6.5
163.11212	3.3
165.07088	4.1
173.13144	4.0
177.05580	3.7
177.09137	28.0
179.14339	12.5
181.12263	5.4
191.10713	17.7
193.08636	3.7
195.11665	4.3
201.16380	12.8
209.11734	48.1
219.06563	4.0
219.10098	3.6
219.17450	50.1
237.07623	10.5
237.11029	7.4
237.14830	7.0
237.18546	15.7
237.22182	10.3
255.09248	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	237.1488
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
52.24214	2.0
53.03932	2.3
55.01881	2.0
55.05519	44.2
55.83796	1.9
56.96565	11.3
57.07061	4.4
58.60032	1.8
67.05511	20.9
69.03411	6.4
69.06734	1.8
69.07075	22.4
71.04989	5.4
71.55429	2.8
78.04255	1.8
79.05482	8.5
79.05923	1.8
79.98117	1.9
81.07066	25.2
83.04990	60.8
83.08153	2.7
83.08628	49.8
83.41563	2.0
85.06527	2.7
85.10181	3.5
91.05492	10.4
93.07059	24.3
95.04974	12.1
95.08064	2.4
95.08623	33.5
97.06522	8.2
97.10216	2.7
99.08096	4.3
103.18390	2.0
105.07052	13.6
107.08608	35.6
109.06522	15.9
109.10168	40.5
111.04453	26.5
111.08095	10.0
113.06027	3.7
113.09676	10.8
117.07041	2.4
119.08588	14.9
121.06525	31.4
121.10152	24.1
123.08078	6.5
123.11713	8.2
125.05995	5.1
125.09627	15.7
127.07578	9.4
131.08574	6.5
133.10147	20.6
135.08075	11.3
135.11641	9.5
136.08842	41.3
137.09645	34.0
139.07570	12.0
143.08539	2.5
147.11617	2.0
149.02364	3.4
149.09691	2.1
149.13264	26.5
151.11205	5.3
152.01759	1.9
153.09087	10.8
155.10690	3.8
159.11745	15.0
161.09654	19.9
163.11125	3.3
167.14349	10.0
173.13252	5.7
177.09065	2.4
177.12805	26.9
179.10690	88.1
191.14386	4.4
195.13834	58.4
201.12740	4.0
217.07520	3.7
219.13863	8.6
225.10574	1.9
235.03377	1.9
237.07585	4.1
237.14861	100.0
237.22134	7.8
255.09108	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	237.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.1
55.05519	1.7
56.96547	1.0
57.03421	0.4
57.06828	0.5
57.07079	7.5
60.61309	0.3
65.03938	0.7
67.05506	3.3
69.03424	0.7
69.07079	2.0
71.04986	1.0
71.08624	0.4
71.24928	0.7
74.70849	0.4
77.03927	0.4
79.05506	2.5
81.03413	0.8
81.07063	4.5
83.04966	1.3
83.08601	1.3
85.02105	0.3
85.02890	0.7
85.06526	1.4
91.05497	1.7
93.07044	3.6
95.01357	0.4
95.04965	1.5
95.08605	3.4
97.02887	1.5
97.06540	1.2
97.10152	0.4
98.97562	0.9
99.04398	0.4
99.08100	0.5
105.07034	2.1
107.04955	0.5
107.08604	2.3
109.06502	1.2
109.10164	2.4
111.04448	0.7
111.08086	0.6
113.02370	1.1
119.08563	1.2
121.02879	5.0
121.06525	0.8
121.10149	2.8
123.04436	0.3
123.08075	0.6
123.11671	0.8
125.02360	20.9
125.05997	0.5
125.09632	0.7
131.08603	1.1
133.10138	1.1
135.04335	0.4
135.08066	0.8
135.11664	1.2
137.05994	0.4
137.09738	0.4
139.03911	19.0
145.10143	1.1
146.05995	0.3
147.11630	0.3
149.09579	0.8
149.13199	0.6
151.11200	0.6
153.05479	0.4
159.08054	0.4
159.11717	1.8
161.13234	0.4
163.03850	0.4
163.11095	0.5
177.12779	0.8
179.10722	0.5
191.10692	1.2
191.14375	0.6
193.04924	0.4
195.10175	100.0
196.10518	1.0
196.78423	0.3
201.16418	1.0
209.11620	1.9
214.73926	0.3
219.10069	0.5
219.13863	1.0
219.17419	0.9
219.21013	0.4
222.13977	0.4
237.07474	0.5
237.11009	0.7
237.14622	2.2
237.18495	0.9
237.22153	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69994	0.3
53.03924	0.4
55.01866	0.7
55.05507	1.3
56.96555	0.9
57.03435	0.3
57.07081	6.5
65.03922	0.9
67.05508	2.7
69.03419	0.8
69.07065	1.7
71.04974	0.8
71.08627	0.3
71.55412	0.3
72.71882	0.2
73.02882	0.3
78.08376	0.2
79.01836	0.4
79.05520	1.8
81.03410	0.7
81.07061	3.4
83.04984	0.8
83.08619	0.7
85.02911	0.3
85.06526	1.2
91.05468	0.9
93.07052	2.5
95.01344	0.4
95.04990	1.3
95.08607	2.2
97.02879	1.3
97.06515	0.7
97.10188	0.5
98.97581	0.6
105.07035	1.5
107.04922	0.6
107.08623	1.9
109.02888	0.6
109.06506	0.9
109.10188	1.9
111.04453	1.1
113.02361	1.0
116.98597	0.3
117.07052	0.4
118.49836	0.3
119.08615	1.3
121.02875	4.2
121.06515	0.3
121.10155	2.3
123.04492	0.4
123.08054	0.6
123.11709	0.9
125.02364	19.6
125.06017	0.3
125.09663	0.3
127.03877	0.3
127.11168	0.3
131.08594	0.7
133.10106	0.8
135.04463	0.4
135.08054	0.7
135.11682	0.7
139.03915	15.5
145.10135	0.6
146.06055	0.4
149.02382	2.8
149.03484	0.6
149.05946	0.4
149.09657	0.4
149.13239	0.4
151.11226	0.3
153.05510	0.5
158.10823	0.3
158.99550	0.3
159.11699	0.8
161.60562	0.3
163.03911	0.5
165.06956	0.3
167.07126	0.3
177.12721	1.1
181.05046	0.7
181.10014	0.3
191.08655	0.5
191.10721	1.0
191.14296	0.4
193.05032	2.0
195.10185	100.0
196.10524	1.1
201.16359	0.4
209.11694	1.4
219.07983	0.5
219.10051	0.3
219.13896	0.7
219.17415	0.5
232.09167	0.3
237.07471	1.9
237.11075	0.6
237.14751	0.8
237.16582	0.6
237.18552	0.9
237.22189	0.8
240.71033	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0757
Annotation	STELLATIN
Peak:m/z	Relative Intensity
51.02389	0.7
55.01880	1.4
55.05511	1.1
57.07078	1.4
67.01874	5.9
67.05513	1.6
68.30170	0.5
68.99794	6.1
69.03414	2.1
69.07062	1.8
79.01863	6.6
79.05494	1.4
81.03437	0.6
81.07065	3.3
83.01352	15.5
83.04999	1.3
83.08617	1.0
84.80036	0.5
85.02908	1.2
91.05495	1.0
93.07054	1.3
95.01303	0.8
95.08613	2.1
97.02884	1.5
97.06512	0.8
97.10155	0.6
98.20628	1.2
107.01333	4.2
107.08556	0.9
109.06525	0.7
109.10127	1.1
111.04452	0.7
111.08038	0.7
121.10116	1.1
125.02388	1.8
135.00792	2.4
135.08073	0.8
135.11684	1.1
137.09671	0.8
148.28207	0.5
149.13196	0.8
153.01822	2.2
155.61893	0.5
159.11655	0.7
163.07701	0.6
169.01340	2.2
181.01338	99.7
182.01724	0.7
191.10684	0.5
193.06734	0.5
199.02402	100.0
200.02734	1.3
209.11696	1.0
213.03871	0.6
219.10162	0.6
237.07603	51.8
237.14821	2.3
237.18613	0.7
237.22208	2.3
238.07799	0.9
258.23553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0758
Annotation	STELLATIN
Peak:m/z	Relative Intensity
51.02378	0.6
55.01865	0.6
60.37526	0.4
65.13804	0.3
67.01874	5.3
68.99786	4.6
69.03426	1.4
69.07055	0.4
71.54924	0.6
79.01866	4.0
80.38558	0.3
83.01350	13.4
83.04967	0.4
85.02900	1.0
95.01308	0.6
96.62189	0.4
97.02889	1.8
107.01321	3.4
125.02385	1.3
135.00781	2.0
151.07622	0.5
153.01810	1.4
162.46463	0.4
163.00349	0.5
169.01413	2.1
181.01334	100.0
182.01642	1.3
195.02916	0.6
199.02394	59.6
200.02783	0.6
209.11784	0.4
215.91756	0.4
237.07599	44.6
238.07945	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0872
Annotation	N-Formyl-D-kynurenine
Peak:m/z	Relative Intensity
50.39557	0.2
56.96583	0.3
58.35715	0.2
66.25302	0.2
69.47736	1.6
70.73614	0.2
74.02451	4.9
88.87788	0.2
91.05496	0.4
98.21537	0.4
98.97585	0.6
117.05821	0.2
118.06553	1.5
123.66264	0.2
123.91887	0.2
128.04982	4.7
130.06516	0.5
132.04498	0.4
146.06018	100.0
147.06355	1.3
148.03885	0.5
155.54839	0.3
157.07591	0.3
158.06007	0.3
191.08139	0.4
219.07629	1.1
236.57397	0.3
237.08769	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	236.1645
Annotation	Huperzine W
Peak:m/z	Relative Intensity
50.55154	0.8
55.05511	5.8
56.96556	1.5
57.03436	8.5
57.07063	1.4
63.65708	0.9
67.05492	2.1
70.66624	0.8
70.69632	1.8
70.70026	1.7
72.06529	0.9
75.54307	1.0
79.05482	2.3
80.05000	2.2
81.07065	1.2
82.06551	1.1
91.05493	1.8
93.07043	2.0
94.06596	6.0
96.08141	1.6
101.06017	5.6
103.16505	0.9
104.07061	1.2
105.07043	1.7
106.06538	3.0
107.07178	0.9
107.08615	1.0
108.08123	6.6
110.06001	1.2
110.09715	2.0
117.06980	1.2
118.06579	1.2
119.08549	1.1
120.08129	6.7
120.80033	0.9
122.05998	1.2
122.09660	1.7
124.07603	6.9
125.08357	1.2
126.09145	4.9
126.82628	0.9
132.08101	4.6
133.08853	2.7
133.10271	0.9
134.09686	5.1
135.10468	2.6
136.07571	2.6
136.11217	1.4
137.08328	3.4
138.09163	16.2
146.09628	2.0
148.11183	5.0
150.09171	6.4
152.07016	1.0
152.10689	2.3
160.11076	1.2
162.12782	4.4
164.10727	12.4
165.11491	1.1
166.12285	22.7
176.10718	2.0
178.12270	3.3
179.13065	3.2
180.13835	15.7
182.11775	14.0
194.11784	36.2
196.68846	1.1
208.17027	2.0
218.08231	1.0
218.15387	7.2
236.16452	100.0
237.16820	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1695
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
53.03947	3.3
55.05513	12.9
56.96564	3.7
57.07085	8.0
59.04991	4.6
65.03946	1.8
67.05513	22.5
68.70107	1.6
69.03419	4.6
69.06783	1.6
69.07076	16.7
70.30177	5.0
70.30572	2.6
71.04994	36.4
73.06554	3.7
79.05144	1.4
79.05505	15.9
81.07063	38.8
83.04980	6.9
83.08603	5.3
85.02902	1.8
85.06555	5.0
89.06049	12.3
91.05483	20.1
93.07050	37.1
95.04971	12.9
95.08610	35.2
97.06541	3.9
97.10163	2.8
98.97601	11.2
99.08089	2.4
105.07036	55.5
107.08604	93.8
109.06520	13.2
109.10158	43.4
111.08101	25.9
111.11761	1.6
111.48830	1.5
112.99075	1.5
115.05460	4.3
117.07005	4.6
119.08590	49.8
121.06524	4.0
121.10154	29.2
123.08080	4.2
123.11714	4.9
125.09642	39.2
127.07575	2.4
127.11221	3.5
129.06993	2.3
131.08563	19.6
133.10133	37.7
135.08073	2.2
135.11694	30.7
137.09586	6.1
139.07523	2.6
142.07748	2.5
143.08572	6.7
145.10127	32.3
147.08060	6.8
147.11697	100.0
149.09602	5.7
149.13287	5.4
151.11156	1.7
153.12752	6.6
155.07162	4.2
157.10207	9.3
158.99646	1.9
159.11719	9.9
159.92580	1.7
161.05771	1.8
161.09660	6.3
161.13268	8.0
163.11214	5.8
164.07787	4.3
165.09119	3.3
165.12793	13.0
171.11670	2.1
173.13338	8.6
175.11201	8.6
175.14821	16.8
177.00783	2.4
179.10704	7.3
187.18930	2.9
189.12825	2.3
189.16383	57.7
193.15897	6.8
199.14848	8.5
207.17526	1.9
217.08441	2.0
217.15906	40.3
217.19247	2.1
235.09715	4.2
235.16954	92.4
235.20528	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	236.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.1
55.05508	4.0
56.96565	6.4
57.07075	1.1
58.99584	2.2
67.05506	1.7
69.03426	1.3
69.07073	100.0
70.06590	1.2
73.02922	2.9
73.06562	18.1
74.00673	0.9
76.02233	2.3
80.54020	0.7
81.03422	1.0
81.07076	0.9
84.08189	0.8
84.96052	2.3
85.02897	1.0
86.09725	1.8
86.99073	2.9
87.02698	16.4
91.05476	4.2
95.05003	0.9
97.02914	0.7
97.06537	32.2
97.96826	1.1
98.20705	1.5
98.97604	1.4
101.04242	4.7
105.00111	3.5
105.07063	2.5
107.04967	3.5
109.06578	0.9
109.46268	0.7
110.07182	1.2
113.02586	2.5
115.07578	32.3
116.98638	0.8
119.05046	0.7
120.08133	1.6
122.03085	0.7
123.04478	0.8
127.31928	0.8
128.98648	0.8
129.03700	6.3
133.06496	3.9
136.70479	0.8
138.38916	0.7
146.06009	1.9
151.07578	1.2
160.84102	0.8
163.03931	0.8
170.04961	1.1
177.05783	0.8
180.11110	0.8
190.09010	2.4
207.03377	2.5
218.08392	1.9
219.06880	29.6
225.04388	2.5
236.06802	1.0
236.09525	4.4
236.13020	0.9
236.17084	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	235.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	0.7
57.03434	0.6
57.07071	1.4
58.96132	0.5
67.05495	0.6
68.99776	0.3
69.07083	0.4
69.44532	1.6
75.90013	0.2
79.05495	2.0
81.07053	0.4
91.05498	0.5
93.07047	0.5
95.04955	0.4
95.08598	0.5
97.06522	0.3
98.97585	0.4
99.98759	0.3
101.02386	1.8
103.05462	1.5
105.07042	1.8
107.08567	0.3
112.99117	0.4
117.99693	0.2
118.04166	1.7
119.03437	0.7
119.08576	0.4
131.00169	0.4
133.06497	23.2
134.06856	0.3
135.08099	1.3
136.76570	0.2
147.11752	0.3
161.05986	100.0
162.06325	1.4
175.07532	0.3
179.10640	1.3
183.09836	0.2
189.16370	0.3
198.98584	0.3
217.15898	0.3
235.09709	2.2
235.16904	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	235.1695
Annotation	Macrophyllic acid A
Peak:m/z	Relative Intensity
50.63552	1.1
51.30283	1.1
53.03940	2.5
55.01868	4.1
55.05512	14.4
56.96562	6.2
57.03433	2.3
57.07079	22.5
58.01928	1.2
58.96129	4.4
59.04992	2.9
65.03942	2.0
67.05508	42.4
68.25803	1.5
69.03417	5.7
69.07073	21.8
69.90403	4.4
71.05001	6.1
71.08630	2.2
73.80991	1.2
79.05498	22.5
81.07062	59.2
83.04974	5.0
83.08614	10.0
85.06544	6.3
91.04966	2.4
91.05482	26.0
93.07048	34.4
95.04957	9.0
95.08614	57.3
97.06546	8.1
97.10156	3.5
97.70522	1.3
98.97556	2.6
99.08106	3.4
99.98744	1.7
104.24932	1.2
105.04424	1.2
105.07041	39.8
107.04967	3.0
107.08601	44.4
109.06505	8.5
109.10166	29.4
111.08075	4.8
111.11802	1.2
112.99107	3.5
113.09628	2.1
113.96421	1.8
117.07007	5.8
117.99798	1.9
119.08589	99.8
121.06538	3.3
121.10146	30.3
123.04430	2.6
123.08081	4.6
123.11707	12.0
125.09626	3.0
128.06233	2.1
129.07037	2.9
131.00156	4.1
131.08574	15.8
133.06552	1.6
133.10143	58.1
135.08073	18.6
135.11696	23.5
137.06053	1.3
137.09618	12.2
137.13246	5.4
139.11186	3.1
142.07785	4.4
143.08572	10.1
144.09360	2.0
145.10132	13.7
147.08054	5.0
147.11703	32.4
149.01212	2.5
149.09669	2.8
149.13252	6.3
151.11179	10.0
151.14879	1.8
153.12762	1.6
156.09349	3.4
157.10158	11.0
158.10912	4.6
159.11687	12.9
161.09633	29.6
161.13261	13.7
163.14821	2.0
165.12704	2.1
169.10106	2.7
171.11671	6.7
172.03603	2.0
173.13264	18.9
175.11209	14.5
175.14836	20.4
177.12755	5.0
179.10690	17.2
184.12476	3.8
187.11156	4.0
187.14854	3.8
188.92482	1.5
189.00703	1.8
189.04341	2.0
189.12762	3.1
189.16397	19.4
191.14380	2.9
191.17969	2.6
193.15936	4.1
199.14796	13.2
202.13495	3.0
207.05289	1.4
217.15901	95.4
217.19394	28.5
218.16396	1.5
235.13164	3.1
235.16940	100.0
235.20511	34.4
236.17233	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0968
Annotation	Methyl taboganate
Peak:m/z	Relative Intensity
53.03944	0.6
55.01866	0.6
55.05499	0.5
57.07085	2.6
57.73712	0.2
65.03947	15.4
67.05521	0.4
68.99792	0.3
69.03432	0.5
76.66142	0.2
77.03912	0.4
79.05496	0.8
81.03435	0.4
81.07046	1.1
83.01372	0.3
83.04977	0.4
91.05480	0.8
91.97926	0.3
93.03414	10.7
93.07061	0.9
95.04967	0.6
95.08627	0.6
98.21635	0.4
103.05460	0.4
103.73746	0.3
105.03386	0.5
105.07044	1.0
112.99178	0.3
117.07029	0.3
119.08569	0.3
119.65488	0.4
121.06507	0.6
123.04420	0.6
131.04932	0.5
133.06502	0.6
133.10129	0.3
147.04395	0.4
161.02333	7.1
161.06038	0.6
161.09662	0.4
161.13234	0.3
165.01846	0.5
169.01358	0.4
177.05481	1.3
178.07793	0.4
179.03410	100.0
179.10583	1.8
180.03725	1.4
183.02901	0.7
189.05495	0.9
193.04984	0.7
199.02347	0.4
207.06477	0.5
207.08194	0.4
211.02435	0.6
217.05138	0.6
217.08618	12.1
235.06264	3.8
235.09666	59.8
235.16907	7.4
236.09947	1.1
253.07182	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0601
Annotation	Malvone A
Peak:m/z	Relative Intensity
53.00305	0.4
53.03936	0.8
55.01867	1.4
55.05495	1.1
57.03443	0.5
57.07074	2.1
58.96120	1.1
61.70409	0.3
64.84785	0.3
65.03930	0.7
67.01867	0.7
67.05516	1.7
68.99789	5.4
69.03419	1.4
69.07051	0.9
71.01352	0.6
71.05007	0.4
79.01836	0.5
79.05489	3.9
81.03436	1.4
81.07051	3.9
83.01337	2.4
83.08574	0.3
84.99291	0.3
91.05481	3.3
93.07055	4.0
94.04145	0.4
95.01324	0.9
95.04962	2.1
95.08623	1.8
97.02879	0.7
97.06541	0.3
99.00812	0.8
99.98730	0.7
103.05442	1.4
105.03424	0.3
105.07035	7.5
107.01344	0.3
107.04957	0.8
107.08612	0.7
108.05728	0.6
109.02874	2.6
109.06519	3.8
111.08101	1.4
115.05433	2.3
117.06965	0.4
119.01303	0.7
119.04939	3.6
119.08580	0.3
121.06503	5.5
121.10196	0.4
123.04444	1.8
123.08067	2.0
125.02319	0.4
127.03983	0.4
133.06493	6.0
135.04414	0.7
135.11734	0.3
136.05194	0.4
137.02341	3.2
137.05992	2.7
139.03894	0.8
139.07520	1.7
141.09064	0.4
143.04904	1.6
145.06458	0.4
147.00774	1.4
147.04385	1.0
149.02373	0.3
149.05998	2.0
151.00330	0.5
151.07532	3.2
154.99748	1.1
161.05989	6.6
161.96262	0.3
164.01089	0.4
164.04660	0.4
165.01848	4.4
165.05569	0.6
167.07008	0.5
169.01309	1.9
171.04443	1.0
174.03123	0.4
175.03860	0.4
178.02580	0.9
179.03403	1.6
179.07051	1.7
179.10664	1.5
181.01299	4.7
183.02907	4.1
183.06430	0.7
189.05470	6.8
192.00507	0.5
192.04172	2.9
192.16190	0.3
192.44861	0.3
193.01334	10.7
193.04938	4.4
193.12624	0.3
195.02924	0.5
199.02350	3.5
203.55031	0.3
206.02110	0.6
207.02876	1.0
207.06497	4.7
210.01619	0.8
211.02357	2.4
217.05019	4.1
220.03642	0.8
224.03197	1.6
235.06010	100.0
235.16899	5.7
235.20529	0.5
236.06390	1.6
238.04718	0.7
253.07051	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	234.1854
Annotation	Deoxynupharidine
Peak:m/z	Relative Intensity
55.05503	2.9
56.05002	1.0
57.07078	1.5
65.93392	0.7
67.05516	4.7
69.07059	3.2
70.06597	1.4
71.54627	1.2
71.93304	0.8
72.04517	1.8
79.05499	4.9
81.07060	6.9
82.06583	1.2
83.04951	1.3
83.08650	0.9
84.08135	1.0
84.16387	0.8
91.05485	6.9
93.07048	6.8
94.06559	1.4
95.08624	6.5
96.04472	1.1
96.08140	1.1
98.06059	1.1
105.07040	10.4
107.08602	8.0
108.08152	5.0
108.08803	1.0
109.08925	1.6
109.10139	2.7
110.06033	2.1
110.07125	0.8
117.07024	2.3
119.08585	12.1
119.21967	0.7
120.08098	1.7
121.10149	3.7
122.09672	3.6
123.10536	0.7
123.11706	4.8
124.07602	1.9
131.07454	0.7
131.08556	4.1
133.10139	4.7
135.07999	1.7
135.11667	1.9
143.08549	1.1
145.10136	5.6
146.09660	1.9
147.11713	2.5
149.09650	2.4
149.13264	1.4
152.10738	2.0
157.10165	2.0
159.11693	3.4
160.11206	1.6
161.13287	5.2
162.12675	0.9
173.13264	1.8
174.12813	1.3
175.14885	5.1
178.12244	1.9
179.03409	1.6
179.10616	1.2
188.14355	2.9
189.16399	4.7
190.15977	2.8
199.14958	0.9
201.16331	2.6
202.15919	3.1
206.15378	1.7
216.17427	7.3
217.18292	2.8
219.13835	0.8
234.18552	100.0
234.21898	5.4
235.09636	2.3
235.16953	2.4
235.20740	1.1
250.17171	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1749
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
53.03921	5.0
55.01872	7.2
55.05502	16.9
55.33223	4.8
56.96564	8.6
57.03435	6.9
57.07066	4.5
58.93735	5.0
67.05515	23.3
68.47277	5.7
69.03416	19.2
69.07058	18.2
71.04990	14.9
71.55483	8.2
78.28784	4.9
79.05503	37.9
81.03416	5.8
81.07070	41.1
83.04973	6.3
83.08607	7.2
85.02913	6.1
85.06530	10.5
91.05482	56.9
93.07050	43.1
95.04971	18.4
95.08620	35.1
97.06550	10.6
97.10179	7.0
98.97575	16.4
99.04448	14.8
103.05421	10.6
105.07030	82.8
107.04938	18.6
107.08599	26.1
109.06495	11.8
109.10182	10.6
115.05449	9.5
116.98652	5.7
117.07034	32.7
119.04971	46.5
119.08610	45.6
120.08101	9.5
121.06491	24.2
121.10180	8.7
123.08101	8.1
128.06175	6.6
129.07004	16.2
130.07780	14.3
131.04956	8.4
131.08571	44.7
133.06538	9.1
133.10144	34.6
135.08064	7.2
135.11694	11.3
137.05994	5.9
139.03952	8.3
141.07030	9.3
142.07777	6.7
143.08578	13.7
144.05692	6.8
144.09300	7.7
145.06470	24.4
145.10129	100.0
147.08070	14.2
147.11702	14.3
149.09567	8.3
154.07773	8.0
155.08467	9.2
156.09370	5.9
157.10088	8.0
158.07230	12.5
159.08052	20.1
159.11703	51.4
161.09612	4.8
161.13252	13.4
163.07594	8.3
163.11203	29.8
166.45242	5.9
167.03387	5.9
169.10126	14.4
171.11688	7.5
172.05252	6.3
173.05972	8.9
173.09641	87.1
173.13268	24.0
175.07549	7.4
175.11102	9.3
178.21437	4.9
179.14189	9.8
187.11218	63.7
187.12907	9.8
187.14859	22.1
191.03444	17.9
191.10620	15.4
197.09593	7.2
200.04668	6.6
203.03366	9.1
205.12206	13.8
205.15865	6.0
215.07080	21.7
215.10718	61.3
215.14258	24.9
215.17912	9.2
233.07809	27.2
233.11595	45.5
233.15355	73.8
233.19043	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1539
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03939	2.8
55.01854	1.3
55.05503	6.0
56.05016	1.9
56.96558	5.6
57.07078	3.3
63.92701	1.4
67.05513	11.9
69.03433	14.2
69.07054	4.5
71.04985	3.5
79.05489	16.3
81.07073	15.5
83.05002	2.9
83.08611	3.4
84.04515	6.8
85.02885	1.6
85.06541	2.3
86.06074	2.1
91.05485	18.4
93.07051	11.0
95.04982	29.2
95.08598	9.6
97.06539	1.5
98.97597	2.5
104.07105	6.5
104.53548	1.6
105.07041	19.7
107.04974	10.5
107.08607	17.7
108.08887	1.6
109.06564	7.7
109.10155	8.1
111.04424	3.0
115.05453	2.7
116.98605	1.5
117.07025	8.6
119.08591	100.0
121.06504	5.9
121.10150	13.2
123.08050	3.6
123.11738	2.8
128.06177	1.5
129.07001	4.1
131.00174	2.2
131.04936	2.5
131.08585	16.2
133.06503	7.5
133.10147	11.7
135.08052	5.8
135.11688	2.9
137.09619	2.9
138.72917	1.4
139.03940	1.6
141.07053	1.9
142.04968	1.7
142.07785	3.1
143.08577	3.5
145.06499	4.8
145.10136	18.2
147.08061	3.8
147.11696	6.8
149.09653	11.9
149.13257	2.4
151.07550	1.7
155.08546	3.7
156.09351	2.0
157.10123	6.3
158.10980	1.5
159.08092	6.7
159.11752	7.5
161.05972	2.7
161.13193	2.2
163.11230	2.4
167.08560	2.8
169.10110	2.3
170.08148	2.6
171.11691	4.8
172.08894	2.1
172.80539	1.7
173.09636	9.3
173.13297	9.2
175.11215	5.0
177.05318	2.0
177.09128	4.3
178.96078	1.9
182.10925	5.3
187.11226	3.8
187.14810	8.3
189.12775	8.6
191.10669	3.1
191.14305	14.6
197.13254	12.1
215.10683	2.5
215.14323	15.4
215.17914	2.5
216.08633	2.5
233.07961	8.1
233.11699	4.5
233.15385	52.9
233.19041	4.9
233.20969	1.5
233.23077	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	233.1536
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03931	3.3
55.01862	1.5
55.05496	4.7
56.96546	3.6
57.07053	4.0
65.03955	1.6
65.04368	1.2
65.73482	1.3
67.05485	4.3
69.03429	7.8
69.07061	3.3
70.72776	1.1
71.04989	2.0
71.55158	1.2
78.35216	1.1
79.05490	49.2
81.03414	1.5
81.07043	6.0
83.04996	2.5
83.08601	5.0
83.74496	1.3
84.36343	1.1
85.06524	4.0
91.05460	9.4
93.07041	9.8
95.04942	5.7
95.08608	4.3
97.06526	2.1
97.33972	1.1
98.97575	2.1
105.07034	14.9
107.04959	52.7
107.08587	11.5
109.06515	3.6
109.10123	2.4
109.15559	1.4
111.08055	4.2
115.05423	1.4
117.06994	4.6
119.04984	1.8
119.08592	14.8
121.06481	3.5
121.10166	9.2
123.08081	2.5
125.09641	2.2
129.07025	2.8
130.07777	1.6
131.08565	13.3
133.06439	1.9
133.10135	9.9
135.08063	4.4
135.11720	1.4
137.09615	6.8
142.07739	1.5
143.08502	1.8
144.09299	1.4
145.10130	17.1
146.10866	1.4
147.04404	1.2
147.08052	18.7
147.11691	15.8
149.09621	8.4
149.13249	3.4
156.09384	1.9
157.10100	6.3
158.10899	2.7
159.08083	2.5
159.11674	3.0
160.08778	2.9
161.09628	2.0
163.11157	5.8
171.11685	4.5
173.09648	2.8
173.13284	13.3
173.32886	1.3
175.11197	22.8
178.96124	1.5
182.10915	1.4
187.14793	5.4
189.12737	5.2
191.14310	63.9
197.13335	2.1
215.14305	8.6
215.17937	2.4
233.08003	3.9
233.11552	3.7
233.15358	100.0
233.19077	4.3
243.17650	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
50.48408	1.1
51.56029	1.1
53.03944	3.6
53.07977	1.4
54.26743	1.2
55.01869	2.8
55.05505	6.8
56.96560	6.0
57.03429	1.7
57.07071	5.5
59.04995	3.5
61.24412	1.5
63.78746	1.1
67.05167	1.7
67.05505	16.8
69.03429	18.4
69.07067	9.0
70.06567	1.4
71.01357	1.3
71.05000	7.5
71.55170	2.1
74.99646	1.3
76.19141	1.1
76.81570	1.2
79.05496	42.1
81.03426	3.2
81.06638	1.8
81.07059	18.3
83.04979	5.5
83.08630	7.0
84.05508	1.2
85.06553	6.9
91.05484	32.2
93.07050	26.0
95.04978	23.9
95.08614	15.4
97.06509	4.8
98.97577	2.8
99.04427	3.9
101.46824	1.3
103.05474	3.0
105.07035	38.0
107.04961	33.8
107.07880	1.8
107.08595	24.9
108.00080	1.3
109.06529	10.0
109.10139	11.1
111.08080	4.7
113.06016	3.3
115.05444	3.0
116.06190	1.9
116.64051	1.1
117.07023	14.4
119.04951	6.5
119.08587	96.5
121.06513	11.1
121.10134	18.8
123.04401	2.0
123.08060	5.6
123.11715	5.2
125.09652	2.3
128.06230	1.8
129.07013	7.3
130.07765	4.5
131.08578	33.5
133.06517	6.5
133.10147	19.2
135.08069	8.5
135.11696	6.4
137.09631	9.4
141.07054	3.1
142.07771	5.7
143.08554	7.3
144.05708	2.2
144.09357	3.4
145.06522	6.0
145.10121	53.1
147.08055	34.9
147.11687	15.7
149.06009	2.3
149.09598	16.8
149.13243	5.7
151.11195	2.1
154.07787	2.2
155.08543	5.6
156.09308	4.0
157.10129	10.6
158.07213	3.2
158.10901	3.1
159.08054	11.1
159.11694	17.1
161.05980	1.8
161.09598	3.0
161.13280	5.9
163.07530	2.2
163.11148	13.3
163.12131	1.2
163.14838	3.5
167.08591	3.7
169.10132	5.6
171.11684	8.7
172.08813	2.1
173.06070	2.1
173.09636	24.9
173.13261	17.2
175.11182	18.9
177.09138	6.9
177.12692	1.5
182.10912	6.7
187.11191	11.6
187.14839	15.3
189.12776	8.9
191.10666	5.5
191.14305	35.8
197.09627	1.8
197.13200	9.5
205.06525	1.3
205.12244	2.3
205.15846	2.8
215.10713	9.8
215.14305	20.6
215.17862	7.5
233.06021	1.9
233.08057	6.8
233.11876	14.5
233.15379	100.0
233.18869	13.5
233.22972	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	233.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64356	0.3
53.03946	0.3
55.05520	0.8
56.96570	2.2
65.03932	0.5
67.05489	0.9
69.03425	2.4
69.34054	2.8
71.04994	0.4
78.48763	0.4
79.05495	2.3
81.07045	0.6
83.04985	0.5
84.04492	1.0
86.06091	0.7
91.05486	3.9
93.07043	1.3
95.04949	1.2
95.08590	0.7
97.06554	1.9
98.97600	0.7
104.07089	1.1
105.07026	3.3
107.04989	0.5
107.08582	1.3
108.92679	0.3
109.06536	0.9
110.69623	0.3
111.04438	0.3
112.30232	0.3
115.05465	1.1
117.07020	1.2
119.04926	0.4
119.08575	2.7
121.06513	1.5
121.09715	0.6
123.08054	1.5
128.06219	0.4
129.07002	1.9
130.07777	0.9
131.08594	2.3
133.10141	0.4
135.08060	100.0
136.08369	1.7
137.05994	1.4
139.07568	0.7
141.07014	1.3
143.08562	0.7
144.09352	1.4
145.06502	1.4
145.10121	2.9
146.07210	0.4
147.08090	0.7
149.05966	0.3
151.07539	2.4
154.07761	1.1
155.08572	1.3
156.09378	1.6
157.06522	2.0
158.07285	3.6
159.08069	3.1
159.11697	5.3
161.09586	0.5
161.13229	0.4
163.11185	0.6
169.10135	1.8
169.55363	0.6
171.08127	0.8
171.11650	0.6
172.08836	8.9
173.05945	0.4
173.09631	13.9
173.13525	0.4
174.10411	0.3
175.07634	1.5
177.05602	0.4
182.07315	0.7
187.09503	0.6
187.11191	12.3
189.12834	0.5
191.10704	0.9
197.09669	1.3
200.04675	0.3
200.08377	0.5
215.10675	16.8
216.08728	0.6
216.11034	0.5
233.08109	1.3
233.11703	5.1
233.15414	1.0
233.18988	0.5
233.22379	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1174
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
50.16939	3.6
50.47400	3.2
53.03953	6.0
54.04906	2.9
55.01866	7.6
55.05519	17.5
56.96566	15.7
57.03438	7.5
57.07079	7.1
67.05512	24.9
68.99786	3.9
69.03430	18.0
69.07075	14.2
70.91192	3.3
71.04996	10.5
71.55862	4.4
73.02942	4.7
79.05508	33.3
81.03413	3.8
81.07061	36.1
83.04989	6.6
83.08624	5.2
85.02908	5.9
85.06554	8.2
88.07620	3.2
91.04927	2.6
91.05482	53.7
93.07056	38.0
95.04979	20.4
95.08620	29.5
97.02908	5.4
97.06544	11.5
98.97592	10.9
99.04453	17.4
103.05479	4.2
105.07039	78.8
107.04973	17.3
107.08611	26.6
109.06514	13.3
109.10167	18.9
111.04484	5.1
115.05463	7.8
116.06291	4.8
117.07034	34.8
117.40958	3.2
119.04954	33.3
119.08593	54.6
121.06504	31.1
121.10120	18.2
123.08073	5.6
123.11739	6.7
128.06253	10.4
129.07008	16.2
130.07791	9.6
131.00211	3.5
131.08571	52.6
133.06509	11.0
133.10121	26.5
135.08087	10.3
135.11681	10.1
137.05965	5.0
137.09648	5.1
139.03973	4.7
141.06969	5.7
143.08597	17.4
144.09387	9.8
145.06485	16.2
145.10132	99.6
147.08061	12.7
147.10670	3.9
147.11671	17.1
149.05994	7.0
149.09650	12.8
149.13257	9.4
151.07481	3.2
154.07814	6.4
155.08595	5.7
156.09309	5.8
157.10193	11.3
158.07275	9.3
159.08061	20.7
159.11696	54.5
160.05019	3.0
161.05988	4.7
161.09639	4.8
161.13220	7.5
163.07605	3.5
163.11177	34.6
169.06595	3.9
169.10191	17.5
171.08118	7.0
171.11699	9.1
172.08867	7.3
173.05995	5.5
173.09639	100.0
173.13225	19.9
175.07500	6.0
175.11249	8.8
177.09108	4.9
177.12727	3.6
187.11192	79.5
187.14796	17.0
188.08310	5.6
189.09044	5.2
189.12718	7.2
189.16431	5.0
191.10674	13.4
191.14383	8.0
197.09651	8.3
197.13298	6.5
203.10722	6.6
205.08463	3.3
205.12253	13.9
205.15825	3.8
209.78664	3.7
215.07127	3.7
215.10683	57.3
215.14252	19.0
215.17941	16.9
233.06133	5.0
233.08133	17.2
233.11711	61.6
233.15355	58.7
233.19000	33.4
233.22876	23.9
234.15190	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	233.1174
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03933	1.6
55.01865	1.9
55.05514	2.7
57.07066	1.4
61.66611	0.9
67.05495	4.4
69.03442	4.8
69.07057	3.0
70.93110	2.3
71.04996	2.7
79.05501	7.7
81.07058	3.8
84.04529	1.7
87.08115	5.6
91.05488	14.6
93.07046	7.5
95.04984	4.6
95.08591	2.3
97.06530	3.6
98.97570	4.1
99.04472	4.9
103.05460	1.2
104.07130	1.3
105.07033	22.5
107.04971	6.9
107.08620	5.2
109.06515	2.1
115.05481	2.2
116.98611	1.3
117.07021	11.6
119.04942	4.4
119.08585	9.4
121.06528	9.0
121.10148	3.3
123.08081	3.5
128.06221	2.8
129.07018	4.5
130.07791	6.8
131.04930	1.5
131.08586	10.3
133.06505	3.6
133.10109	5.3
135.04457	1.4
135.08028	6.8
135.11725	1.6
137.05998	4.0
137.48447	0.9
141.06979	1.9
143.08578	6.1
144.09361	3.7
145.06509	6.6
145.10138	47.9
147.08040	3.0
147.11673	6.4
149.06046	1.3
151.07574	1.3
154.07755	2.5
155.08531	2.3
155.36765	1.1
157.10147	1.8
158.07286	5.2
159.08078	5.0
159.11719	14.8
161.09596	2.1
163.07419	1.4
163.11205	23.5
169.10144	6.9
171.08131	1.0
171.11690	2.1
172.05261	1.5
172.08806	2.6
173.09642	100.0
174.10001	1.6
175.07564	2.1
175.11185	2.1
177.09106	1.6
177.12698	1.3
179.08458	1.2
184.00357	1.0
187.07603	1.2
187.11197	28.8
187.14816	1.9
189.09207	1.3
189.12730	3.4
191.10681	4.2
197.09608	4.6
205.12260	4.2
215.07129	1.4
215.10690	19.9
215.14232	2.1
233.04272	1.3
233.08066	3.1
233.11742	27.3
233.15280	7.4
241.71559	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1174
Annotation	Drupanin
Peak:m/z	Relative Intensity
50.87960	0.9
53.03946	2.6
54.08559	0.8
55.01866	3.6
55.05515	4.7
56.96576	2.2
59.04967	1.2
60.03101	0.8
63.83304	0.8
65.03939	1.2
67.05509	6.7
69.03433	5.2
69.07066	4.5
69.18250	9.5
71.04980	2.7
77.03905	0.8
79.05499	12.2
81.03417	3.2
81.07057	11.6
83.04980	3.4
85.06558	2.0
91.05489	18.4
93.07057	14.3
95.01331	2.7
95.04977	6.9
95.08621	5.0
97.06522	3.2
98.97597	2.6
99.04452	3.6
103.05501	2.3
105.07038	28.5
107.04964	12.0
107.08604	6.2
109.06539	5.3
109.10132	2.2
111.04410	1.1
113.05963	1.1
115.05460	2.7
116.06237	0.9
117.07037	13.9
118.20033	0.8
119.04952	12.9
119.08591	10.7
121.06522	11.3
121.10176	4.4
122.73190	0.8
123.08028	1.1
123.11723	2.3
125.06012	1.0
127.07561	1.7
127.58371	0.8
128.06241	3.1
129.07034	7.5
130.07811	9.7
131.04900	1.9
131.08585	15.2
133.06473	4.9
133.10135	3.4
135.04446	1.8
135.08072	4.7
135.11687	1.0
137.05984	10.0
137.09589	1.1
138.27850	0.9
139.03894	2.7
141.07007	2.6
143.08589	7.9
144.09329	3.1
145.06511	10.1
145.10133	49.7
146.07335	1.3
147.08031	4.0
147.11710	7.6
149.05998	1.8
149.09624	2.1
153.07022	1.1
154.07813	4.3
155.08537	3.5
156.09399	1.3
157.06458	1.1
157.10162	2.4
158.07254	6.1
159.08055	5.5
159.11714	14.3
161.09621	1.5
161.13249	1.3
163.07591	1.5
163.11203	23.3
165.12794	0.9
167.78723	0.9
169.10162	9.1
171.08115	1.4
171.11679	2.6
172.05197	1.2
172.08853	3.0
173.09636	100.0
173.13312	2.3
174.06813	1.8
174.10033	1.4
175.07542	1.6
175.11162	1.4
177.09079	1.0
178.07854	1.0
179.08534	3.4
181.06493	1.4
182.07304	2.4
185.09698	1.0
187.07643	2.4
187.11197	31.0
187.14815	3.1
189.09145	1.6
189.12770	3.0
191.03459	2.3
191.10699	5.7
197.09621	10.6
205.06618	1.5
205.12280	3.7
209.01382	0.9
213.07794	3.2
215.07024	2.4
215.10690	25.3
215.14325	2.6
215.17816	0.9
233.05983	2.2
233.08090	3.6
233.11748	29.3
233.15288	10.2
233.19052	2.5
234.15031	1.4
238.92902	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.081
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
53.03943	1.2
55.01875	0.9
55.05503	0.6
56.96555	0.9
57.07054	0.3
59.35061	0.3
65.03928	1.0
67.05492	0.8
67.93123	0.3
69.03423	0.9
71.55325	0.3
79.01874	1.4
79.05069	0.4
79.05502	4.4
81.03410	1.3
81.07042	1.1
83.05008	0.4
84.04516	0.5
91.05490	17.3
93.03413	0.3
93.07056	3.5
95.04971	0.8
95.08617	0.5
103.05466	1.1
104.27249	0.3
105.03400	0.6
105.07020	1.8
107.01328	1.8
107.04968	4.6
109.02872	0.4
109.06524	0.7
115.05467	4.1
116.06251	5.2
117.07037	2.9
119.04986	1.3
119.08588	5.9
119.09406	0.2
121.06510	1.0
121.10203	0.4
128.06241	6.0
129.07014	3.5
131.04921	1.1
131.08578	10.7
132.05721	0.5
133.06480	0.8
133.10091	0.4
135.04437	1.8
135.11667	0.4
141.06985	4.4
142.07742	0.5
143.08560	1.4
143.46182	0.3
144.05737	4.2
145.06488	2.1
145.10184	0.3
147.04390	1.1
147.08063	2.0
149.37434	0.3
151.03909	0.8
153.05522	0.5
155.06046	0.7
157.10027	0.3
159.04454	2.0
159.08073	10.2
159.11728	0.5
161.02415	0.5
161.05991	0.7
163.03902	1.1
165.01846	4.6
169.06471	1.9
169.07674	0.5
171.08046	1.0
172.05246	1.6
173.06006	1.3
177.05461	0.6
178.96027	0.7
179.03415	1.2
183.02921	2.8
186.95302	0.5
187.07559	18.8
190.06300	0.3
191.03441	0.7
191.07077	0.4
191.14304	0.7
197.05991	1.4
200.04768	0.6
205.08549	0.5
215.07027	8.4
215.14162	0.3
215.17889	0.3
226.57259	0.3
233.08107	100.0
233.15318	2.8
233.19069	0.8
234.08504	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1174
Annotation	Drupanin
Peak:m/z	Relative Intensity
51.64356	0.3
53.03946	0.3
55.05520	0.8
56.96570	2.2
65.03932	0.5
67.05489	0.9
69.03425	2.4
69.34054	2.8
71.04994	0.4
78.48763	0.4
79.05495	2.3
81.07045	0.6
83.04985	0.5
84.04492	1.0
86.06091	0.7
91.05486	3.9
93.07043	1.3
95.04949	1.2
95.08590	0.7
97.06554	1.9
98.97600	0.7
104.07089	1.1
105.07026	3.3
107.04989	0.5
107.08582	1.3
108.92679	0.3
109.06536	0.9
110.69623	0.3
111.04438	0.3
112.30232	0.3
115.05465	1.1
117.07020	1.2
119.04926	0.4
119.08575	2.7
121.06513	1.5
121.09715	0.6
123.08054	1.5
128.06219	0.4
129.07002	1.9
130.07777	0.9
131.08594	2.3
133.10141	0.4
135.08060	100.0
136.08369	1.7
137.05994	1.4
139.07568	0.7
141.07014	1.3
143.08562	0.7
144.09352	1.4
145.06502	1.4
145.10121	2.9
146.07210	0.4
147.08090	0.7
149.05966	0.3
151.07539	2.4
154.07761	1.1
155.08572	1.3
156.09378	1.6
157.06522	2.0
158.07285	3.6
159.08069	3.1
159.11697	5.3
161.09586	0.5
161.13229	0.4
163.11185	0.6
169.10135	1.8
169.55363	0.6
171.08127	0.8
171.11650	0.6
172.08836	8.9
173.05945	0.4
173.09631	13.9
173.13525	0.4
174.10411	0.3
175.07634	1.5
177.05602	0.4
182.07315	0.7
187.09503	0.6
187.11191	12.3
189.12834	0.5
191.10704	0.9
197.09669	1.3
200.04675	0.3
200.08377	0.5
215.10675	16.8
216.08728	0.6
216.11034	0.5
233.08109	1.3
233.11703	5.1
233.15414	1.0
233.18988	0.5
233.22379	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0807
Annotation	Salfredin B11
Peak:m/z	Relative Intensity
51.02377	0.4
53.03947	4.0
53.42369	0.3
55.01886	1.1
57.06876	0.3
57.07084	3.1
59.27267	0.3
63.24117	0.2
63.71502	0.3
65.03938	0.3
67.01873	0.7
67.05504	0.8
69.07077	1.1
79.01865	0.7
79.05485	1.0
81.03425	34.5
81.07069	0.9
91.05483	0.7
93.07032	0.4
94.06553	0.4
95.01672	0.3
95.04960	1.1
99.00838	1.9
105.07063	0.5
107.01356	0.4
107.04957	0.5
107.08617	0.3
109.02889	52.3
110.03207	0.4
118.15184	0.3
119.08586	0.8
121.02889	1.4
121.10171	0.4
121.22361	0.3
123.04444	0.8
123.08035	0.3
127.03949	0.4
131.01276	0.6
131.08607	0.4
135.00751	0.4
135.11646	0.4
139.03926	0.4
145.06540	0.3
145.10104	0.4
149.02344	1.6
158.25368	0.3
165.01826	0.9
167.03419	1.0
177.01845	37.3
183.02896	0.4
185.40439	0.3
186.33945	0.3
191.03413	3.2
195.02908	100.0
196.03259	1.2
197.03363	0.3
209.04494	1.7
215.10875	0.3
215.17938	0.5
218.04445	1.3
218.17657	0.3
233.08104	33.5
233.15396	1.1
233.18976	1.2
233.22725	0.3
234.08330	0.5
234.55563	0.3
251.09167	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	233.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18282	1.6
60.98985	1.8
61.22343	1.7
61.91428	1.6
77.68376	1.7
85.33741	1.6
86.92523	1.8
94.21256	1.6
101.00871	4.1
115.58907	1.7
119.01939	2.1
145.03412	4.0
161.02959	2.8
191.04053	3.5
233.06343	100.0
242.27663	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	232.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05270	1.3
55.05515	18.7
56.05034	1.9
56.96549	1.7
57.03436	1.9
57.07061	1.2
67.05186	1.0
67.05510	12.3
69.03417	2.4
69.06729	1.3
69.07074	17.0
70.06583	2.4
70.79604	2.7
71.04985	3.6
73.06569	1.1
79.05497	6.4
81.07060	30.5
82.79270	0.8
83.04977	2.2
83.08626	12.6
84.08138	2.9
85.02905	1.3
85.06535	4.2
87.80809	0.8
91.05482	7.0
93.07071	7.8
93.07597	1.5
95.04942	1.1
95.08614	37.1
97.02934	1.0
97.06535	6.6
97.10175	5.9
98.20815	0.9
98.97599	1.6
99.08063	2.0
105.07041	6.8
107.08599	3.3
109.06517	1.5
109.10184	4.7
111.08052	2.4
116.98622	0.8
117.07056	1.2
119.08581	10.0
121.10117	3.0
123.08073	2.5
131.08565	1.3
133.10144	6.4
134.66864	0.8
135.11707	6.8
137.09618	1.9
137.13268	6.7
141.09077	1.2
149.13261	1.6
154.12256	1.0
161.13249	22.0
178.15999	1.5
179.14319	8.9
196.16977	15.2
197.15399	4.1
211.07318	1.1
214.18030	100.0
215.18391	1.6
232.17148	1.5
232.19069	35.1
236.61699	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36593	0.8
55.05504	2.3
56.05045	4.8
56.77135	0.8
56.96568	1.8
57.07079	37.8
60.04533	9.3
62.22562	1.0
67.05502	3.3
69.07072	2.6
70.02956	4.5
70.89186	1.7
70.89527	2.1
72.08143	1.5
81.07070	1.1
83.08657	1.1
84.04514	2.7
84.08157	1.5
85.06554	18.1
86.06058	1.5
86.09718	1.2
88.03999	55.2
91.05491	1.9
93.07082	0.9
95.08596	2.8
97.02879	1.0
98.97583	3.6
99.11671	0.9
102.05551	100.0
103.05877	0.9
104.07101	2.8
109.10169	5.3
119.08516	1.4
120.08113	1.1
130.05013	3.3
135.08127	0.9
137.33191	0.9
142.05009	1.4
147.04462	1.6
148.06058	74.5
154.12286	19.5
170.08130	1.3
172.13394	4.9
174.12914	1.1
186.09184	0.9
186.14899	19.0
190.15894	1.3
215.06818	0.9
219.01730	1.3
223.08994	1.3
232.09828	1.3
232.11800	1.2
232.15427	2.7
232.17322	1.3
233.11441	1.8
233.15521	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1381
Annotation	Procerin
Peak:m/z	Relative Intensity
55.01867	0.6
55.05508	1.0
56.96570	4.4
57.07070	1.9
58.06606	2.2
58.07402	0.8
62.06086	1.4
65.03929	0.9
67.05498	1.3
67.35454	0.5
69.03417	0.8
69.07071	10.6
70.22567	1.1
70.22963	1.1
70.41865	0.4
71.04995	0.5
79.05499	1.1
81.03391	0.6
81.07037	1.2
85.10165	0.5
91.05476	7.1
93.07057	0.9
95.04973	0.4
95.08623	0.6
105.07033	3.1
107.04948	1.9
107.08610	0.7
115.05415	0.6
117.07042	3.1
119.04910	1.1
119.07797	0.9
119.08594	11.6
121.06508	2.1
121.10168	0.5
128.06236	2.0
129.06993	3.9
129.23737	0.6
131.08588	0.7
132.05725	1.4
133.06491	8.0
135.04434	0.5
143.08609	1.2
145.06473	3.0
147.01994	0.9
147.04425	3.5
147.06934	1.0
147.08046	12.6
147.11758	0.5
147.52200	1.1
148.04741	2.0
156.52721	0.6
156.95822	0.5
157.03316	0.6
157.06482	4.4
158.07266	1.4
160.05136	1.0
161.05991	0.7
163.07545	5.2
171.11647	0.7
172.52992	0.6
175.07553	100.0
176.07927	1.2
179.52757	0.8
180.02512	0.7
181.03247	0.7
185.02916	0.9
187.01509	1.5
188.53281	0.9
189.03127	0.8
189.09129	1.1
189.12799	0.7
196.02113	3.2
196.03650	0.7
196.52219	1.2
198.04391	0.7
203.03946	0.7
207.05037	0.5
207.52922	0.8
207.55054	1.9
210.05418	0.6
213.12737	0.9
213.24055	1.2
219.05818	1.0
231.06560	1.4
231.10178	0.8
231.13815	18.5
231.17361	0.9
231.25133	19.0
231.27588	1.1
250.51524	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1705
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
52.70560	0.3
53.03951	0.6
55.05517	11.4
55.05789	0.6
56.05028	0.7
56.96571	6.5
57.05833	0.9
60.93242	0.4
68.99807	0.5
69.03442	1.9
69.07063	0.5
69.69053	0.6
69.69456	1.8
70.06599	0.8
71.04999	0.9
72.08161	100.0
73.06562	0.5
79.05493	1.1
81.03413	0.9
81.07080	3.1
83.04977	0.6
84.04515	0.6
84.08167	1.1
84.96035	0.4
85.02923	1.0
86.09708	6.0
87.00834	1.0
91.05495	0.6
97.02863	0.7
97.06532	0.5
98.97591	8.5
105.07047	1.0
107.38485	0.4
109.06555	1.2
112.99126	0.5
115.05482	1.0
116.98633	4.7
119.25334	0.5
127.03982	0.5
127.07597	1.0
128.98654	0.5
129.10275	0.9
131.00153	0.4
132.10226	3.3
134.99654	2.0
145.08609	0.6
147.04419	0.6
147.08047	0.5
157.06534	0.6
158.99701	1.2
171.03268	0.7
175.07501	0.6
177.00806	1.0
185.06052	1.5
185.16626	0.8
189.04338	4.3
203.07138	1.0
207.05385	3.4
213.05559	0.7
227.68488	0.5
231.06497	3.0
231.10236	0.8
231.13744	0.9
231.17072	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	231.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05765	0.7
53.03958	4.1
55.01863	1.2
55.05516	34.0
56.96571	3.9
57.03441	4.4
57.07067	3.6
59.04997	2.7
65.03951	0.9
66.04718	0.8
67.05506	2.2
68.04967	0.8
68.99791	3.1
69.03434	8.2
70.59794	1.2
71.04999	9.7
71.08633	7.2
72.08143	1.6
74.02435	1.8
79.05500	29.5
81.03427	1.3
81.07063	100.0
82.07379	1.3
83.04988	12.9
83.08620	13.8
85.06551	10.6
86.09686	1.2
87.00834	35.7
87.05597	3.6
88.03994	5.2
91.05480	1.7
93.07039	1.5
98.97573	6.0
99.04457	1.1
99.08092	10.9
101.06004	1.1
102.05517	0.8
105.01873	3.1
105.07015	1.0
109.06522	49.3
110.97556	1.0
111.04411	1.0
112.42873	0.8
113.83826	0.7
116.03416	1.0
116.98606	2.5
117.09154	3.9
127.07565	46.9
133.06071	7.7
134.99660	0.7
142.07817	0.9
143.00162	0.8
145.08618	16.0
157.06480	1.3
157.10060	1.0
158.09700	1.2
177.00954	0.8
185.09631	1.0
186.11310	0.9
202.85242	0.8
213.09142	1.8
214.10796	2.2
231.06500	2.5
231.08617	5.3
231.13824	3.2
245.71278	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9904
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65096	19.7
56.96555	69.8
70.06610	96.9
71.54034	23.7
84.08138	51.8
86.06056	29.4
88.03992	26.2
98.97578	100.0
101.00892	45.0
103.00677	34.3
116.07083	50.4
116.98676	32.7
119.01907	60.6
121.01666	69.9
125.07169	21.7
128.96461	24.4
143.01862	32.0
157.03476	26.7
161.02945	35.8
185.02960	79.0
189.02429	22.6
196.06038	42.7
203.04059	77.7
211.83302	17.3
213.05766	19.5
231.03413	54.3
231.06821	33.9
231.13564	32.0
231.15996	43.6
248.99191	44.0
249.04396	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	230.1025
Annotation	N-Hydroxy-meIQX
Peak:m/z	Relative Intensity
53.03962	0.6
55.01888	0.9
55.05517	2.1
56.05054	1.0
56.96574	3.0
57.03453	0.9
57.07076	0.6
64.37598	0.6
64.51402	0.5
67.05517	2.3
69.03438	1.1
69.07072	100.0
70.02962	3.2
70.06587	3.6
71.05020	0.8
71.08654	0.7
71.54460	0.9
72.08158	2.4
73.86216	0.6
74.02448	26.8
79.05495	1.8
80.53260	0.6
81.07074	3.1
84.04503	0.9
84.08155	2.4
85.06579	0.7
85.80333	0.6
86.06068	1.2
86.09742	1.6
88.03999	44.2
88.07646	0.9
88.58060	0.6
91.05499	0.9
93.07066	0.8
95.08617	0.9
97.02883	1.5
97.06533	7.3
98.06060	2.3
98.09653	0.7
98.97614	2.7
99.04503	0.8
99.08099	0.7
109.06535	1.5
110.10483	0.8
114.09182	2.4
116.02663	1.4
116.03461	21.6
116.98631	1.4
119.01968	0.6
119.04927	0.7
124.07607	1.3
127.07581	0.8
128.98645	1.3
129.10236	1.1
129.97966	0.6
130.08694	0.9
134.04498	99.6
139.34660	0.6
140.10692	1.5
140.14336	0.8
142.08664	1.1
147.04449	1.1
152.07066	0.6
158.09624	0.8
158.99605	0.8
162.78241	0.6
166.08650	12.2
182.11725	3.1
184.09689	8.9
186.14883	1.7
194.11740	1.9
210.06418	0.7
212.09180	7.6
212.12836	2.7
230.10248	50.3
231.06470	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02234	2.0
50.92095	1.9
55.01876	2.1
56.96575	11.1
57.03434	4.8
67.05490	8.6
68.05012	4.0
69.03423	7.4
69.07062	7.8
69.85594	9.6
70.06596	22.2
71.05000	2.3
71.06921	6.8
72.08139	3.0
74.60806	1.9
75.04476	2.0
79.05481	7.0
80.05006	2.5
81.03418	3.5
81.07057	6.5
81.26569	2.4
82.06579	3.5
84.04515	3.7
84.08131	8.2
84.96025	2.1
85.02909	3.3
85.06555	3.3
86.06053	8.0
86.09705	15.7
87.04499	2.3
91.05485	6.2
93.07048	3.7
94.06568	14.7
95.04961	5.5
95.08609	4.8
96.08145	3.6
97.02885	5.9
97.06508	5.1
98.06044	8.1
98.20844	3.3
98.97592	14.1
105.07031	7.0
106.06557	3.6
107.08601	4.3
108.08124	7.2
109.06501	7.5
110.06042	17.9
110.09698	2.4
111.06834	3.0
111.08052	2.4
112.07600	4.9
113.06008	4.0
115.05463	2.5
116.07042	4.7
116.98621	7.6
119.08597	2.5
120.08121	4.2
121.06519	3.5
122.06046	35.1
122.09664	6.4
123.06860	3.3
124.07614	11.9
126.09148	2.9
127.03941	3.6
129.10226	4.1
131.00172	2.2
131.08525	5.9
132.08095	2.7
134.09637	6.9
134.99625	3.9
135.08061	4.5
136.07588	10.9
136.11255	3.2
138.09138	17.1
139.03954	2.3
139.07573	4.6
140.07085	42.6
141.00041	2.6
142.08723	2.6
145.01869	2.6
147.08032	2.3
148.07605	3.2
148.11214	12.1
149.09605	7.9
150.09117	6.0
150.99167	3.3
152.07045	3.1
154.08646	57.7
156.10240	4.4
156.87631	1.9
158.99641	3.8
164.10588	2.3
166.12299	14.7
167.10687	4.1
168.10106	2.4
172.09760	2.3
175.97614	2.2
176.10684	9.5
177.00757	3.2
180.83752	1.8
184.09665	3.2
186.09183	2.1
192.26463	2.3
193.32936	2.0
194.08141	5.4
194.11783	26.2
201.00777	1.8
202.12561	2.0
212.09224	4.7
212.12851	18.6
228.31660	2.0
230.08286	3.3
230.10310	3.8
230.13873	100.0
230.15720	5.9
231.14095	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	230.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98654	0.5
56.96569	24.6
69.85397	1.8
70.06596	0.7
71.06927	0.6
71.95267	2.7
72.96040	1.4
74.97626	0.5
83.97649	1.3
84.08147	0.8
84.96038	1.0
86.09717	3.2
91.22032	0.4
98.20804	0.4
98.21314	0.8
98.97591	100.0
101.00879	0.7
102.00944	0.6
110.97617	0.7
116.00229	1.9
116.98629	43.3
119.01968	0.5
120.02049	0.9
124.00673	0.7
126.02303	0.9
128.98643	0.5
134.01245	0.9
134.99666	9.1
138.32391	0.4
140.00197	0.9
140.03844	1.6
141.00041	0.5
142.05435	2.1
147.04420	0.6
153.00755	0.5
158.04938	1.6
160.06435	2.8
170.04955	1.1
171.03300	2.8
176.05864	0.6
178.07526	0.5
188.05978	2.4
189.04340	7.7
206.07018	6.1
207.05504	2.8
212.05875	0.8
216.00655	0.5
224.08063	5.2
230.07019	9.8
230.15800	2.4
231.05414	1.2
248.08089	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	229.1801
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
53.03951	1.9
54.59532	1.1
55.05514	16.1
57.03432	2.7
57.07080	2.6
59.05006	2.5
67.05227	1.5
67.05518	17.6
69.03439	2.5
69.07069	10.8
69.63888	8.5
70.06598	3.3
71.05002	7.1
71.19398	1.7
72.26173	1.2
79.05500	8.5
81.07069	19.0
83.04980	5.2
83.08616	4.7
85.06567	9.6
91.05504	7.7
93.07051	32.2
95.04990	3.5
95.08618	25.7
98.97599	2.6
99.08111	16.2
105.07039	18.5
107.04986	2.9
107.08614	45.5
109.06485	8.4
109.10165	56.1
111.08102	3.2
111.39074	1.3
113.09677	2.2
119.08597	32.5
121.10162	19.2
123.08070	7.7
123.11709	14.9
125.09643	8.8
127.11164	2.3
131.08536	2.8
133.06471	2.1
133.10152	100.0
135.11713	85.7
137.09636	11.8
137.13251	2.6
139.11200	2.3
140.66931	1.3
145.10155	1.7
147.11696	3.7
149.13287	6.8
151.11188	9.2
151.14877	7.0
153.12849	1.9
161.06084	1.6
163.14853	4.4
165.16420	7.3
167.07056	8.3
175.14842	56.8
180.07860	1.3
181.15860	2.3
193.15907	55.6
193.17667	2.8
211.16910	13.0
229.06479	2.6
229.08432	1.6
229.15948	2.4
229.18025	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	229.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01867	2.9
55.05266	2.4
55.05513	26.8
56.96566	5.2
57.03440	15.7
57.07074	5.9
59.05002	5.0
59.13478	1.4
65.03945	1.5
67.05511	100.0
69.03420	3.7
69.07076	23.5
69.59117	9.6
71.05001	12.7
79.05497	16.0
81.07064	73.6
82.01103	1.5
83.04988	5.2
83.08627	17.4
85.06557	12.9
91.05489	22.2
93.07053	19.0
95.04964	3.5
95.08617	80.6
97.06538	14.4
97.10183	4.3
98.97586	5.6
99.04443	1.6
99.08114	8.9
101.00871	4.4
105.07037	25.8
107.04929	2.0
107.08610	14.1
109.06523	3.8
109.10162	70.5
111.08060	4.4
113.05996	7.1
113.09666	2.1
114.39321	1.4
116.98608	2.7
117.06989	3.4
119.01949	9.3
119.08594	31.0
121.10151	12.9
123.08060	5.0
123.11715	3.6
128.06206	1.7
129.06995	1.7
131.08585	6.5
133.10155	21.2
135.11682	11.7
137.09657	4.2
137.13268	10.1
141.05470	6.4
141.06998	3.2
143.08543	3.0
145.10129	8.6
147.11702	8.4
149.13327	2.1
155.08521	4.0
155.10680	5.6
157.10155	4.5
159.08067	2.3
159.11697	6.3
161.13274	49.8
164.92749	1.6
166.78113	1.8
169.10168	3.1
171.11749	3.0
173.09590	1.6
173.11752	16.9
173.13200	3.4
179.14342	33.5
183.08070	2.1
183.11708	2.0
187.00891	4.3
187.11215	2.9
187.14874	2.4
197.15385	5.7
201.12770	3.2
203.63571	1.6
211.14948	2.7
229.08556	3.3
229.12274	5.3
229.14349	20.5
229.15968	8.7
229.19566	9.2
229.23572	2.9
237.69649	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.05511	4.2
56.96566	2.5
57.03438	5.8
57.07061	2.1
59.04996	2.0
67.05511	29.4
67.05869	1.4
69.03417	1.1
69.07075	41.8
70.06580	1.1
70.70757	1.6
70.71079	2.0
71.04973	1.5
79.05495	2.3
81.07058	6.6
83.04968	1.0
83.08619	2.8
86.06058	1.3
91.05498	6.2
93.07080	1.4
95.08610	1.9
98.06053	1.0
105.07031	8.9
107.08584	1.3
109.10166	25.3
115.05456	1.7
117.07022	4.3
119.08591	2.7
128.06209	2.0
129.07004	2.0
130.07762	3.2
131.08554	1.8
133.10156	1.3
143.08560	2.4
145.06502	2.0
145.10153	14.6
155.08562	6.8
155.10645	1.4
158.07295	5.8
159.08072	14.1
159.11678	2.4
159.23032	1.1
161.09618	1.4
165.06992	1.4
171.11713	1.2
173.09639	100.0
173.11713	5.6
174.09956	1.6
178.02892	1.2
187.03313	2.7
187.11168	1.4
187.55122	1.7
194.08211	1.1
196.55620	7.7
197.05565	4.0
205.05934	1.3
205.56139	4.2
206.04111	1.2
206.06015	4.0
208.06322	2.1
208.56276	2.3
214.56584	1.8
217.06969	3.3
217.10495	1.2
217.56813	2.6
229.14313	3.5
229.16100	20.5
229.19360	5.7
229.23579	2.5
238.02670	1.8
239.02417	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85899	0.3
55.01879	0.8
55.05511	0.3
56.05042	0.4
56.51741	0.3
56.96568	1.9
57.03447	1.1
58.06602	5.9
59.07384	1.7
60.07875	0.6
60.08169	7.8
61.02928	0.8
65.12496	0.3
68.05039	1.0
69.03437	1.1
69.20056	1.8
69.20484	1.0
69.25822	0.3
70.06599	37.4
70.99851	0.3
71.05009	0.6
72.08167	1.0
73.02921	1.2
76.81971	0.3
81.03429	0.7
84.04521	0.9
84.08159	1.0
84.96062	0.4
85.02929	2.0
86.03707	0.3
89.00928	0.3
96.08138	1.7
97.02888	0.7
98.06084	0.5
98.97585	3.3
100.07569	0.3
101.00900	4.0
109.02932	0.3
110.97511	0.3
113.00840	0.3
114.05535	3.9
114.06708	0.3
114.09161	1.9
116.07097	1.4
116.98645	1.6
118.05133	0.3
118.08697	0.4
119.01934	8.2
120.02073	0.3
121.01672	0.7
124.07608	3.8
126.09165	0.5
127.03931	0.6
128.98680	0.4
130.08752	0.3
131.01917	0.7
133.01591	0.3
133.03485	1.5
134.99690	0.4
135.03163	0.3
137.02971	1.1
139.04161	0.3
140.98596	0.6
141.03049	0.6
142.08644	31.7
144.99895	0.4
147.03235	0.5
148.03767	0.5
151.04503	0.5
152.07127	0.5
152.95422	0.4
154.94145	0.3
157.03502	0.4
158.99651	1.5
160.04868	0.3
161.02924	0.5
168.99883	0.7
169.02528	0.5
170.08131	1.7
171.03203	0.3
172.95210	0.4
173.03099	0.7
175.04558	0.7
177.00731	1.2
178.03171	0.3
183.07661	0.4
183.11356	0.9
183.14937	1.9
184.04605	0.5
187.00897	1.7
187.02388	0.3
191.04144	0.3
196.99365	0.4
201.02458	0.4
202.05675	0.3
205.00208	0.4
205.01935	0.6
215.00352	1.0
219.01675	0.4
229.03276	1.9
229.15491	100.0
230.15842	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1549
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
51.48657	0.4
55.01890	0.4
55.05502	0.7
56.05042	0.5
56.96566	2.2
57.03413	1.1
58.06602	6.6
58.99855	0.7
59.07378	1.6
60.07883	0.7
60.08167	8.2
60.30227	0.3
61.02916	1.1
68.05004	1.1
68.98270	0.4
69.03423	0.8
69.17738	3.4
69.18154	0.7
70.06595	39.7
70.99845	1.9
72.08156	1.5
73.02901	0.8
79.48769	0.4
81.03409	1.2
81.07049	0.4
82.99827	2.4
84.04489	0.9
84.08139	0.6
85.02896	1.1
86.03690	0.5
86.09689	0.6
87.04417	0.4
87.92659	0.3
89.00879	0.8
95.04999	0.4
96.08118	1.4
97.01378	0.5
97.02917	0.5
98.06027	1.0
98.20689	0.8
98.97591	3.7
101.00886	25.1
102.00932	0.8
103.00645	0.6
103.02456	0.6
106.66371	0.3
109.02870	0.4
113.00862	1.7
114.05532	3.8
114.09178	2.0
115.02472	1.8
116.07099	1.1
116.98625	1.8
118.08688	0.5
119.01929	40.4
120.01997	2.0
121.01656	0.9
124.07600	3.3
126.09157	0.8
126.98765	1.6
127.02382	0.4
129.03963	0.7
131.01921	4.3
131.05588	0.5
133.03470	4.1
134.03516	0.5
134.06018	0.6
134.99661	0.7
137.02988	4.3
140.98561	0.6
142.03491	0.7
142.08640	33.0
143.01904	1.1
144.01991	0.7
144.99852	3.2
145.01682	0.4
145.03523	1.1
145.99942	0.5
149.02972	0.8
149.06589	0.4
150.03419	0.4
151.04530	0.7
152.07101	1.4
155.01920	0.5
157.03474	1.3
158.99631	0.5
159.03229	0.5
161.02960	3.3
162.03119	1.2
165.10265	1.0
166.08662	0.6
168.99811	5.9
170.08154	1.7
172.99326	1.1
173.02971	0.9
175.04564	0.8
176.05089	0.4
177.04008	0.4
183.11316	0.6
183.14922	2.0
184.04597	0.9
185.02983	0.6
186.96771	0.4
187.00905	9.7
187.02692	1.2
187.04402	0.7
188.01172	0.5
196.99297	2.4
197.01154	1.4
201.02464	0.6
203.03993	1.3
205.01913	2.2
205.03557	1.8
205.05321	0.6
206.06989	0.5
211.02257	0.7
211.10869	1.0
212.09151	2.3
215.00362	7.2
215.02200	0.9
219.05147	0.5
223.04535	2.2
229.03419	1.6
229.05556	1.0
229.11812	2.6
229.15480	100.0
230.15788	1.4
233.01488	0.6
247.04694	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	229.1436
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.01489	5.2
54.29009	5.2
55.05534	5.2
57.03431	15.5
58.29648	4.9
61.04396	5.7
64.46199	5.4
67.05511	100.0
69.07086	11.4
70.06590	5.2
70.99300	14.3
71.04987	5.2
79.05491	9.6
81.07046	27.8
83.08585	8.6
91.05479	18.0
93.07049	6.2
95.08655	9.7
105.07034	17.8
107.08603	5.7
109.06577	6.4
109.10168	75.4
113.05962	7.6
119.08599	16.7
121.10124	12.6
123.11686	10.7
141.05521	6.2
147.11702	35.4
151.95544	5.4
165.12756	9.1
167.60962	5.9
173.11736	20.9
173.13092	7.9
175.11182	5.9
186.71484	6.0
189.19984	5.7
204.47076	6.0
229.08397	6.1
229.12294	8.9
229.14194	33.8
229.19568	10.2
229.23511	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	229.1437
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
54.18379	1.8
55.01878	10.6
55.05518	14.4
56.96544	6.8
57.03441	10.7
57.07067	2.9
59.05008	2.8
62.63800	1.7
67.05511	80.6
69.03411	3.2
69.07066	13.4
69.94525	1.7
71.04978	4.8
71.15476	5.0
76.24635	2.0
76.47604	1.8
79.05505	18.1
81.06596	3.5
81.07058	63.8
83.04968	8.1
83.08598	9.0
85.02895	2.7
85.06522	8.3
91.05486	32.5
93.07047	14.6
95.04942	4.8
95.08605	11.9
95.14304	1.9
97.06538	13.5
97.35921	2.2
98.97595	12.5
99.08073	3.7
101.06055	2.1
105.07043	35.5
107.08588	12.7
109.06503	7.7
109.10159	46.4
111.08054	3.5
113.05981	4.2
116.98592	3.5
117.06962	3.6
119.01875	2.9
119.08577	34.6
121.10157	16.1
123.08115	3.1
123.11723	23.2
128.21501	1.9
129.06992	9.8
131.08548	7.2
133.10173	10.1
137.09604	2.8
141.06953	3.5
142.07722	2.5
145.10056	3.0
147.08049	2.3
147.11694	100.0
149.09575	6.9
153.06870	2.3
155.08545	6.2
155.10628	3.5
157.10144	22.7
158.99640	4.4
159.08015	2.5
165.11433	2.2
165.12775	41.7
173.11725	8.8
175.11165	24.1
183.07994	3.3
183.13705	2.3
184.09946	2.4
186.09154	2.8
193.12248	6.9
195.09581	3.0
201.12592	2.2
211.07588	3.2
211.14938	2.5
229.05153	2.3
229.08698	10.7
229.14320	93.6
229.23250	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	229.1436
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
55.01870	10.1
55.05506	12.9
57.03442	7.7
57.07115	3.0
59.04988	3.6
67.05508	58.8
69.07066	15.1
70.06319	13.0
71.05003	4.7
74.86064	3.4
79.05494	15.1
79.71779	3.4
81.07061	70.0
83.08628	8.3
85.06548	7.5
91.05498	30.1
93.07052	14.6
95.04958	5.0
95.08598	12.8
97.06522	17.0
101.00907	4.1
105.07042	37.6
107.08601	14.1
108.46004	3.2
109.06526	12.2
109.10164	37.6
113.06007	3.8
119.01920	4.6
119.08589	36.2
121.10164	18.8
123.11696	25.6
129.07008	13.0
131.08607	6.1
133.10138	11.0
143.08592	3.3
145.10078	3.5
147.11697	100.0
149.09607	3.8
157.10124	23.2
165.12772	38.8
165.22807	3.5
173.11771	4.7
175.11188	21.8
183.11656	3.8
193.12308	9.7
203.06116	3.4
229.12306	5.2
229.14276	97.0
229.19406	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	229.1434
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
53.03943	7.2
55.01860	2.6
55.05508	11.6
56.96572	4.3
57.03426	4.3
58.90435	1.6
59.04971	1.9
67.05511	25.0
69.03441	25.8
69.07071	9.1
69.38995	13.8
71.04985	2.0
72.17380	1.6
72.69486	1.6
75.62762	1.7
79.05504	10.7
79.37614	1.6
81.07064	36.9
83.04974	6.3
83.08625	5.3
85.06535	4.1
91.05489	20.0
93.07054	14.2
95.04983	3.0
95.08632	8.5
97.02895	1.9
97.06553	2.7
98.97585	5.9
101.00877	3.3
105.07050	21.1
107.08592	6.0
109.02884	19.5
109.06565	2.1
109.10181	16.4
115.05457	2.1
116.98657	2.8
117.07016	4.3
118.63702	1.8
119.08601	21.9
121.06523	9.5
121.10165	9.2
123.08121	1.8
123.11721	14.3
128.06242	1.8
129.07005	8.4
130.07770	1.7
131.08575	17.8
133.10164	14.1
135.11688	1.8
141.07016	2.4
142.07805	3.7
143.08601	13.8
144.09335	5.0
145.06497	5.9
145.10159	13.3
147.11687	31.8
151.03859	2.7
153.07005	2.4
155.08633	4.3
156.09373	2.2
157.10141	7.8
158.07178	1.8
158.10948	17.6
158.99658	2.9
159.08035	9.4
159.11732	12.1
161.09717	2.1
165.12762	15.4
168.09431	5.1
169.10181	2.5
170.10895	6.9
171.08066	7.6
171.11746	3.3
172.08885	7.8
173.09633	47.7
173.11806	3.7
173.13272	50.9
175.11168	2.8
177.00702	3.2
183.11772	9.2
185.09592	2.2
185.13345	2.2
186.10422	30.2
187.07594	2.7
187.11194	73.4
193.10260	2.1
193.12152	3.3
196.08859	7.0
199.07634	4.0
200.41504	2.0
201.12766	56.2
211.11235	14.3
211.16914	3.3
214.09868	4.9
229.12267	100.0
229.14272	7.0
229.19661	3.4
230.12653	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	229.1436
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
53.98122	0.6
55.05511	10.1
55.83070	0.6
57.03444	19.2
57.07084	1.0
59.05010	5.7
65.03949	2.0
67.05509	100.0
69.03436	0.8
69.07071	1.9
69.95657	3.0
71.05010	3.5
71.10983	0.7
79.05495	2.1
81.07063	13.9
83.08635	6.8
85.06554	3.6
87.04496	0.9
90.61199	0.6
91.05494	6.3
93.07055	3.6
95.04996	0.7
95.08618	5.4
98.06020	0.6
98.21386	1.0
100.10767	0.6
102.05328	0.7
107.08594	2.4
109.10164	89.5
110.10496	1.3
111.08075	4.0
115.84058	0.6
119.08598	6.5
127.11308	0.8
137.03915	0.6
137.09625	4.1
155.10689	5.4
159.11717	0.8
173.11754	23.7
187.11203	0.9
196.68480	0.8
202.90947	0.6
206.22725	0.7
229.08505	0.9
229.12074	1.5
229.14343	26.4
229.19368	0.8
229.23601	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.4
55.01887	11.2
55.05515	16.6
56.96569	11.5
57.03450	16.3
57.07053	4.4
57.75420	2.1
59.04981	5.1
60.16308	2.1
60.95828	8.9
65.03935	2.8
67.05511	100.0
69.03406	10.7
69.07079	15.6
69.47736	17.8
69.60752	2.2
70.06561	8.2
71.04971	8.1
73.02911	2.9
79.05500	23.5
81.03393	4.6
81.07067	81.6
81.59067	2.3
83.04951	9.7
83.08628	14.6
85.02908	12.6
85.06525	6.6
91.04972	2.6
91.05486	34.7
93.07056	37.9
95.04948	8.1
95.08619	27.9
96.08913	2.7
97.02867	10.0
97.06527	16.3
98.97029	3.2
98.97595	46.3
99.04410	3.7
99.08043	4.7
101.00895	2.8
101.38719	2.1
105.06411	2.3
105.07040	37.2
107.04938	4.1
107.07960	2.7
107.08601	31.0
108.08921	2.7
109.02847	2.9
109.06502	9.8
109.10165	65.4
110.97591	3.4
111.08062	6.4
112.11266	3.1
112.99111	6.0
113.05955	2.9
116.98629	20.2
117.06994	2.6
119.01878	6.0
119.08598	42.4
119.40815	2.4
121.06523	2.3
121.10165	18.8
123.04301	2.5
123.08036	3.4
123.11714	21.4
127.03918	4.1
127.07550	2.3
129.06944	7.9
130.82796	2.3
131.00143	7.0
131.08530	9.4
133.10095	10.2
134.99628	5.2
135.11633	6.6
137.05905	2.4
137.09599	4.8
141.06981	2.9
143.08488	4.6
145.10094	9.6
147.11699	79.0
149.01172	2.8
149.09555	3.6
151.11151	2.5
155.08591	3.0
155.10674	2.3
156.08040	7.3
157.10129	16.6
158.99666	14.0
159.11581	4.8
165.12761	31.8
172.08733	2.7
173.01213	11.6
173.11682	18.3
173.13213	7.1
175.11165	17.3
177.00659	11.5
183.09196	4.5
185.13107	2.5
187.11208	4.3
187.14798	2.4
191.02274	8.8
193.12181	9.2
200.11790	2.5
201.00777	2.7
201.16397	2.6
202.98659	5.7
207.09592	3.5
211.07733	2.4
211.13164	3.4
211.14931	3.6
211.16821	2.4
217.05225	5.2
219.01656	4.1
229.04987	3.3
229.12256	7.7
229.14244	84.1
229.19357	8.1
237.03015	2.8
244.99672	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
55.05514	43.9
56.96548	10.6
57.03445	18.9
57.07079	10.4
63.29778	8.6
67.05518	74.0
69.03433	8.9
69.07060	31.6
70.06583	30.0
70.83137	15.5
70.83474	17.1
79.05485	19.5
81.07066	100.0
83.04987	15.1
83.08649	20.2
85.06547	11.5
91.05492	31.5
93.07066	16.6
95.04956	14.9
95.08624	25.6
96.81144	8.3
97.02935	9.0
97.06507	13.8
98.97570	30.2
99.08108	10.8
101.00890	16.4
105.07028	57.8
107.04940	9.2
107.08592	28.6
109.06576	10.9
109.10160	40.0
112.11275	10.2
113.11594	22.2
119.01913	29.7
119.08586	35.3
121.10154	31.2
123.11707	21.5
128.02328	15.3
131.08575	11.5
133.10152	13.5
134.23689	8.4
135.11732	9.7
141.19304	8.0
141.31577	9.6
143.08575	9.8
145.10088	12.1
147.11693	88.5
155.08617	12.0
157.10005	13.6
157.20868	8.0
165.12770	38.8
173.09503	9.7
175.11197	15.8
177.00719	12.1
182.77916	9.6
183.08025	13.2
183.15785	25.1
183.76270	10.0
193.15814	9.8
211.15152	14.8
229.08702	20.0
229.12141	13.4
229.14212	27.7
229.16138	13.3
229.19484	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	229.1226
Annotation	Mansonone C
Peak:m/z	Relative Intensity
53.03949	7.2
55.05502	3.0
56.96540	1.2
57.03428	1.6
64.42025	0.9
67.05508	8.0
69.03079	1.6
69.03436	25.1
69.07072	1.9
70.56042	1.6
70.56383	1.2
79.05500	4.7
81.07063	5.4
83.04988	3.5
91.05496	7.6
93.03353	1.3
93.07048	8.6
95.04976	2.6
95.08576	2.1
98.97592	2.4
103.05450	1.1
105.07039	8.6
107.08590	1.8
109.02888	18.8
109.06583	1.3
109.10172	4.7
115.05444	2.0
116.06230	0.8
116.98579	1.1
117.04296	0.8
117.07068	4.3
119.01917	1.2
119.05083	0.8
119.08591	10.3
121.06505	8.6
121.10126	2.2
123.11710	1.3
128.06209	3.6
129.00694	0.8
129.07008	4.9
130.07782	1.4
131.08582	16.5
133.06497	1.0
133.10130	10.8
133.20576	0.9
135.04399	1.1
135.08044	2.1
141.07014	2.4
142.07796	4.1
143.08572	15.5
144.09355	5.6
145.06496	3.2
145.10132	11.3
147.11699	1.7
149.06046	1.0
151.03951	2.8
153.06999	3.8
154.07697	1.1
155.08565	7.6
156.09377	1.3
157.06557	1.9
157.10127	4.2
158.07281	2.0
158.10938	17.5
158.99599	1.0
159.08099	7.6
159.11703	12.3
167.08546	1.0
168.09367	3.3
169.10172	2.6
170.10928	8.2
171.08054	8.6
171.11574	1.3
172.08847	9.5
173.09642	38.3
173.13269	46.6
174.13641	1.0
175.07530	1.7
177.00777	1.3
181.06461	2.5
183.11719	7.0
185.05991	1.2
185.09642	2.7
185.13242	2.0
186.10416	27.5
187.07602	3.7
187.11200	72.3
193.10126	1.9
196.08820	8.3
199.07605	3.7
201.12764	61.6
211.11201	14.5
214.06250	1.8
214.09914	4.4
229.08524	2.7
229.12256	100.0
229.23586	0.9
230.12608	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0862
Annotation	cis-Resveratrol
Peak:m/z	Relative Intensity
53.03954	1.8
55.01873	2.4
55.05520	1.6
56.96574	1.1
57.03445	1.3
60.14906	0.6
60.95863	0.6
65.03945	2.5
65.91467	0.7
67.05503	9.1
68.99801	3.9
69.03442	0.9
69.07076	1.2
70.79926	1.7
71.01363	1.2
71.04991	0.8
75.22799	0.7
77.30811	0.8
78.63754	0.7
79.05499	4.9
79.22498	0.7
81.03441	1.7
81.07066	1.9
83.08597	0.8
85.02909	0.8
91.05489	39.8
93.07051	1.5
95.04970	4.7
95.08618	1.2
98.97601	3.3
101.00911	0.8
102.96877	2.5
105.04506	1.0
105.07034	1.1
107.04967	100.0
107.08614	1.3
108.05316	0.8
109.02883	3.7
109.10165	8.3
110.03650	0.8
111.04453	6.1
115.05470	1.9
119.01936	1.0
119.04957	29.4
120.05750	11.5
120.97916	0.8
121.02885	6.2
123.04434	3.7
128.06262	0.9
129.07005	1.4
131.00194	0.9
131.04971	1.3
131.08601	1.0
133.06508	0.7
135.04430	67.2
136.05217	6.4
141.07004	3.8
143.08525	0.8
145.06509	5.8
147.04465	1.0
153.07028	3.8
154.07745	1.4
155.08583	4.8
157.06441	0.9
158.99667	1.1
159.08046	2.1
160.05299	1.0
161.09630	0.7
165.07027	20.4
168.05740	1.2
169.06512	1.5
173.06058	0.8
173.11829	1.4
181.06491	1.4
182.07256	1.0
183.08058	13.1
187.07578	1.7
193.06494	3.2
193.15826	1.1
197.06003	0.9
201.09142	1.5
211.07547	9.7
214.06296	1.3
229.08624	84.6
230.09000	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49623	0.6
55.01889	0.8
56.96572	3.5
57.03444	1.4
58.06605	4.9
58.99875	2.3
59.07382	1.6
60.08173	5.0
61.02937	1.3
68.70237	0.9
69.03422	1.8
70.06597	27.7
70.27386	2.3
70.99874	4.5
72.08190	1.6
73.02940	0.9
77.00924	1.0
81.03409	1.1
82.99844	6.6
83.01544	1.1
84.04510	0.9
84.08161	0.8
85.02904	1.7
86.09721	0.7
87.04507	0.7
89.00928	1.1
91.02482	0.6
96.08167	0.9
97.07613	0.7
98.97594	5.8
100.07642	0.8
101.00894	64.9
101.48752	0.6
102.01002	0.8
103.00632	0.8
108.97757	1.0
113.00897	3.9
114.05566	1.8
114.09187	1.6
115.02425	4.3
116.07114	1.2
116.98654	2.8
118.03515	0.7
119.01932	100.0
120.02061	2.3
121.01670	2.2
123.67759	0.6
124.02470	0.9
124.07581	3.2
126.98745	4.4
127.02440	1.2
127.03947	0.8
128.83737	0.7
129.00339	0.9
131.01932	8.9
133.03485	9.1
137.02962	11.2
142.03581	2.0
142.08649	21.0
143.01956	3.1
144.99844	8.5
145.03505	2.2
147.01335	0.7
149.03008	1.7
151.04535	1.7
158.99620	0.8
161.02991	5.6
163.00949	1.1
163.04485	0.8
163.08267	0.9
165.10287	4.8
168.99849	17.4
169.01285	0.7
170.08141	1.9
172.99388	4.5
173.02982	1.4
173.99515	1.1
177.00858	1.1
177.02530	1.0
183.11328	1.2
183.14938	1.9
185.02931	1.4
187.00914	32.5
187.02606	2.5
191.00383	1.4
191.04036	1.3
192.00534	0.8
196.99341	6.8
197.01088	2.7
201.02493	1.3
205.01968	6.9
205.03644	1.6
206.07056	1.4
211.10843	1.1
212.09259	0.7
215.00392	25.8
215.02034	1.3
219.03448	0.8
223.04616	1.9
229.03471	2.9
229.05659	1.9
229.12140	8.8
229.15498	69.7
233.01509	1.4
247.04839	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1645
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03942	4.5
55.01876	5.1
55.05516	21.3
56.96572	17.2
57.03437	3.2
57.07078	4.5
61.02923	3.4
62.65404	1.9
65.03934	2.6
67.05503	19.1
69.03426	3.0
69.07071	18.4
69.76183	12.7
71.04993	16.0
79.05498	20.0
81.03423	3.5
81.07065	42.3
83.04981	19.6
83.08642	10.9
83.51289	2.0
84.08141	3.2
84.32239	1.9
85.02906	7.8
85.06552	22.9
91.05492	29.5
93.07052	39.8
95.04969	19.7
95.08609	29.5
97.02913	3.4
97.06538	11.3
97.10188	7.9
98.97050	1.6
98.97592	41.1
99.04462	30.7
99.08088	12.3
100.11275	21.5
105.07042	70.3
107.08609	27.4
109.06522	11.0
109.10161	22.4
111.04478	3.4
111.08084	11.6
113.09669	3.6
115.07568	4.4
116.98627	19.3
117.07056	6.2
117.43780	2.2
119.08594	84.0
121.06493	5.9
121.10159	35.8
123.04506	2.8
123.08080	8.3
123.11701	7.0
125.09631	9.4
127.07597	3.4
127.11213	5.6
129.07008	3.9
131.08585	26.5
133.10146	100.0
134.99641	4.4
135.08067	8.1
135.11693	7.7
137.09686	2.6
137.13231	2.8
143.08572	5.8
145.10141	13.8
147.11671	11.2
149.09624	5.9
149.13255	13.8
151.11201	10.5
153.09100	7.3
157.10193	2.6
158.10938	7.9
158.99681	12.3
161.13272	80.2
161.14607	4.6
163.11243	5.0
163.14844	8.9
167.07076	28.4
167.10693	3.2
173.11777	3.4
173.13281	69.8
177.00713	12.7
177.05412	3.5
179.14372	14.9
181.05019	3.7
181.12129	2.2
191.10716	3.9
191.14326	30.9
193.15919	3.1
197.15294	2.7
199.07701	3.1
207.09692	4.8
209.15321	36.7
212.08264	2.4
215.09428	2.3
225.58704	2.0
227.07037	5.3
227.10637	3.9
227.12555	3.3
227.14403	5.4
227.16214	4.6
227.18100	4.3
228.10211	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1644
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03939	3.7
55.01870	2.2
55.05266	2.4
55.05513	30.8
56.96558	8.0
57.03449	10.9
57.07081	9.9
59.04991	8.3
62.55064	1.7
63.34808	2.2
67.05511	16.8
69.03432	60.5
69.07069	48.2
70.66279	6.6
71.04987	6.9
71.09988	2.2
73.02914	2.7
79.05489	26.3
81.07064	25.0
83.01352	3.5
83.04990	29.3
83.08624	13.8
85.02910	2.4
85.06545	22.1
85.45192	2.7
91.05479	12.7
93.07053	19.2
95.04968	13.5
95.08622	23.7
97.02901	19.6
97.06535	42.6
97.10149	6.7
98.97588	22.0
99.04449	6.5
99.08096	78.6
99.93474	2.0
100.11242	12.3
101.05985	2.9
105.07029	18.2
107.04959	3.6
107.08605	44.6
109.06530	14.6
109.10171	19.2
111.04468	6.5
111.08063	8.4
112.11235	4.7
113.06004	4.3
113.09659	15.0
115.05464	3.9
115.07575	59.6
116.47272	2.7
116.98628	6.3
117.07025	3.3
119.08572	8.8
121.10156	26.7
123.08045	3.7
123.11694	7.6
125.06009	2.7
125.09641	100.0
127.07587	2.4
127.11156	5.5
128.98625	2.2
129.07045	2.8
131.04874	2.1
131.08545	6.1
133.10118	14.5
135.08057	14.1
135.11678	7.8
137.09645	4.3
137.13190	1.9
139.07552	6.1
139.11189	5.8
145.10127	5.5
147.11650	2.4
149.05972	2.9
149.09628	32.7
149.13242	6.5
151.11215	13.6
153.09111	48.3
153.12752	19.8
157.10115	4.2
158.99690	7.4
161.13324	5.1
162.59045	1.9
163.11171	3.0
163.14853	17.8
167.07098	12.6
167.10683	4.9
167.14340	2.3
171.08130	2.1
171.10153	3.3
171.11720	2.9
173.13283	12.7
177.00703	3.3
177.05467	6.2
179.08640	2.1
179.14313	3.2
181.15932	3.9
182.51419	2.1
191.10692	2.6
191.14342	34.8
209.08124	3.1
209.15335	64.7
227.07045	2.9
227.14369	2.9
227.16359	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03942	4.3
55.01863	5.0
55.05513	14.7
56.96571	11.8
57.03429	7.7
57.07056	6.7
59.04988	4.9
62.12797	1.6
65.03925	3.6
65.52218	1.5
67.05501	12.3
69.03419	5.6
69.06724	2.0
69.07069	23.8
70.06583	6.4
71.04998	24.9
71.20358	4.3
73.02908	5.9
74.34377	1.7
78.04714	2.5
79.05502	13.8
81.03404	3.0
81.07064	21.9
83.04997	10.5
83.08626	10.3
84.08131	3.5
85.02898	6.7
85.06547	17.6
86.09693	10.8
87.15366	1.7
89.03873	2.0
91.05497	19.7
93.07046	25.6
95.04975	100.0
95.08102	2.1
95.08619	17.0
95.70325	1.7
97.02883	1.9
97.06534	19.3
97.10170	6.3
98.97598	13.4
99.04478	11.8
99.07491	2.3
99.08093	32.1
100.11272	8.3
101.00876	2.9
103.05457	5.5
105.07033	13.4
106.04194	2.3
107.04955	10.2
107.08596	29.0
109.06512	19.9
109.10179	11.3
111.04424	4.1
111.08070	6.9
111.11716	2.1
112.05067	2.8
115.07566	6.0
116.98607	5.9
117.06982	2.3
119.01909	3.7
119.08607	8.5
121.02876	6.3
121.06514	11.8
121.10146	30.2
123.04469	8.3
123.08071	3.9
123.11709	9.4
125.05982	3.5
125.09611	13.5
127.07543	13.7
128.98615	2.7
129.06984	2.6
131.04904	4.8
131.08617	10.8
133.10141	30.4
134.99664	2.7
135.04428	12.6
135.08020	6.3
135.11687	7.9
137.05969	5.3
137.09625	8.1
139.11159	12.3
140.04680	4.3
143.01920	3.4
143.10643	9.9
145.10118	5.7
147.11690	9.2
149.05957	10.0
149.09599	7.1
149.13275	11.5
151.11205	6.1
152.07108	2.3
152.83096	2.0
153.05510	3.6
153.09119	27.1
155.07042	7.3
158.99693	2.4
161.02980	5.0
162.03044	1.8
163.03877	3.5
163.07510	2.2
163.11171	3.0
163.14828	4.2
165.12820	3.1
167.07054	67.2
167.10663	3.7
167.14259	3.4
170.02328	2.4
171.10165	18.4
173.13245	13.2
177.05493	18.3
179.00008	1.9
181.03609	2.2
181.04964	11.8
181.06421	2.7
181.08553	2.6
185.02933	2.8
191.10670	3.8
191.14343	12.9
192.01903	1.8
199.07550	2.1
209.08086	7.3
209.11763	1.9
209.15317	13.9
210.24548	1.5
223.72762	1.8
227.07030	3.5
227.09001	6.0
227.14285	3.3
227.16377	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03945	3.6
55.01865	8.2
55.05511	16.6
56.96561	8.6
57.03431	4.7
57.07068	3.5
58.06590	1.9
59.04990	2.0
61.02934	3.3
65.03923	3.0
67.05499	11.2
68.37325	2.2
69.03426	5.8
69.07072	17.5
69.34407	1.7
70.08543	1.9
70.08813	8.5
70.98128	2.5
71.05001	19.0
72.04509	3.2
73.02916	2.8
74.85340	1.6
76.60655	2.0
78.04716	1.6
79.05502	14.2
81.03437	2.2
81.07048	16.5
83.01330	3.1
83.04987	7.3
83.08619	7.1
84.04504	8.3
85.02906	5.7
85.06545	12.8
86.06078	2.1
86.09705	3.3
91.05486	12.4
91.65072	2.4
93.07051	25.0
95.04977	100.0
95.08613	14.0
96.08175	1.9
97.02895	5.7
97.06538	29.8
97.10186	3.7
98.97598	14.4
99.04462	34.4
99.08089	11.3
100.11266	38.6
103.05463	5.5
105.07033	14.1
106.04179	2.6
107.04950	5.7
107.08595	25.6
109.06524	17.4
109.10181	13.0
110.97594	3.1
111.04431	2.7
111.08088	7.2
113.05905	1.8
113.09634	2.5
113.96479	1.8
114.96587	1.5
115.07570	44.3
116.98611	6.3
117.07003	3.3
119.01906	2.6
119.08594	5.8
120.11756	1.9
121.02864	2.1
121.06538	12.2
121.10152	22.3
122.10534	1.8
123.04430	6.0
123.08055	4.3
123.11732	5.4
125.05997	3.3
125.09634	6.2
127.03858	1.8
127.07520	2.0
129.07005	2.4
131.07719	1.6
131.08571	10.7
133.10139	56.3
134.03641	2.2
135.08080	9.1
135.11716	2.6
137.05971	6.0
137.09633	4.5
139.11214	5.8
140.04668	3.1
140.10695	2.7
142.12216	2.9
143.02008	2.6
145.10149	5.3
147.11679	4.1
148.05222	5.3
149.05980	9.4
149.09657	15.4
149.13271	8.2
151.11201	12.0
153.05501	2.9
153.09114	26.6
154.12302	11.9
154.68788	1.8
155.07021	4.3
156.13889	3.6
158.10887	3.1
158.99641	3.4
161.01192	3.1
161.02876	2.4
163.11205	3.6
163.14850	7.0
165.05498	1.8
167.07059	50.3
167.10742	3.0
168.10262	3.4
169.12233	1.9
170.11729	2.8
171.14920	16.6
173.13258	19.5
177.00696	3.6
177.05461	8.0
179.03461	9.3
181.04970	3.6
191.10681	2.6
191.14348	18.8
192.77863	1.7
194.05727	5.5
195.06543	9.2
199.11301	2.0
209.08113	18.8
209.11656	3.2
209.15228	22.8
225.00685	3.2
227.10817	2.3
227.12677	4.1
227.16106	2.5
227.17584	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	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
51.96420	0.5
53.03942	1.3
54.33189	0.6
55.01883	1.1
55.05508	8.6
56.02651	1.5
56.96563	1.9
57.07067	0.9
59.04993	0.8
60.50657	0.5
65.03934	1.1
67.05508	24.1
69.07072	5.8
71.04996	100.0
71.08635	0.6
71.55003	0.8
71.55360	0.8
72.05314	0.7
79.05494	10.4
81.07058	33.8
82.06657	0.5
83.04999	1.7
83.08623	4.3
85.06554	2.5
87.04459	0.6
91.05482	7.2
93.07047	16.7
95.04987	2.1
95.08607	16.0
97.06539	4.1
97.10172	2.9
98.97615	1.0
99.04502	0.6
99.08118	1.5
100.11260	7.9
105.07033	3.1
107.08601	6.8
109.06538	1.3
109.10152	3.1
111.08125	2.0
113.06033	0.5
113.09626	0.6
117.07023	4.4
119.08617	2.0
121.06542	0.8
121.10148	2.8
123.08134	0.7
125.09627	2.9
127.07628	0.7
129.07092	0.9
130.93343	0.6
131.08575	3.5
133.10114	4.9
135.08076	1.6
135.11694	10.0
137.06021	0.6
143.08586	1.2
145.10190	1.2
149.09619	0.8
149.13271	5.3
152.02405	0.6
157.10161	1.5
159.11687	6.6
163.11154	0.7
167.07080	1.8
171.11661	0.9
175.14964	0.8
177.12738	3.0
185.13351	1.0
189.01027	0.7
189.11336	1.5
195.13858	1.5
209.11661	0.6
209.15198	0.7
209.16850	0.7
227.07030	1.1
227.10585	1.4
227.12593	4.3
227.15445	4.9
227.17841	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	227.1643
Annotation	Annuionone G
Peak:m/z	Relative Intensity
55.05528	20.2
55.05742	4.3
56.96551	5.8
57.03421	5.8
57.07062	4.1
59.04988	5.1
59.98172	2.7
60.21315	2.7
67.05514	19.4
69.03414	8.7
69.07068	14.9
69.45394	25.8
71.05009	22.2
77.73537	2.7
79.05504	15.7
81.07059	38.7
83.04992	22.3
83.08616	9.7
83.37509	2.6
85.02894	6.6
85.06563	17.9
91.05481	21.8
93.07046	50.6
95.04971	75.7
95.08611	28.6
97.02847	4.0
97.06543	18.5
97.07059	3.1
97.10146	3.6
98.97592	15.9
99.04473	32.2
99.08093	20.4
100.11280	17.0
105.07030	65.7
107.08593	34.6
109.06521	13.8
109.10166	22.5
111.08064	5.7
115.07574	7.0
117.07014	3.7
119.07809	5.5
119.08592	70.7
121.06503	4.2
121.10146	38.7
123.08035	7.5
123.11727	7.9
125.09623	8.6
127.11169	7.4
131.08565	27.6
133.10138	100.0
135.08055	9.7
135.11641	6.2
139.11186	9.9
140.15486	3.0
143.08566	7.9
145.10130	12.6
147.11665	10.0
149.09590	7.3
149.13242	15.5
151.11221	10.8
153.09126	22.7
157.10240	3.5
158.10805	7.4
158.99644	5.8
161.13260	60.5
163.11226	5.2
163.14810	7.4
167.07031	15.6
171.10176	7.0
173.13271	60.3
177.05396	3.5
179.14301	11.8
181.04797	5.5
184.39842	3.4
190.24298	3.4
191.14337	32.5
199.11186	3.9
209.11661	2.9
209.15317	40.4
212.08325	6.1
215.91055	3.1
227.07190	3.9
227.10649	10.4
227.16185	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	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.05513	9.5
56.96552	5.2
57.03429	6.0
57.07069	3.3
59.04995	3.6
67.05491	5.4
69.03417	5.0
69.07075	8.6
71.04996	18.5
73.02895	2.3
73.06557	3.0
79.05468	5.3
81.07060	15.0
83.04958	3.7
83.08608	6.6
85.02884	2.0
85.06554	7.8
91.05470	5.5
93.07053	14.0
95.04974	100.0
95.08603	11.5
97.02918	1.7
97.06542	16.6
97.10180	3.9
98.97592	22.9
99.04463	13.3
99.08096	26.0
100.11259	10.7
100.38116	1.8
101.06041	1.5
105.07029	9.4
107.08591	17.4
109.06530	14.9
109.10134	9.3
110.97561	3.5
111.08064	6.4
113.05957	2.3
115.07571	5.1
116.98583	4.9
119.01844	1.9
119.08586	11.9
121.10143	15.9
123.11732	7.6
125.09631	13.0
127.07546	7.5
128.02313	3.6
131.08533	5.1
133.10136	32.4
134.06712	2.2
135.08018	1.7
135.11693	7.4
137.09712	1.6
139.11177	8.0
141.11479	4.0
143.01927	2.1
143.10675	8.1
145.10146	2.4
147.11674	5.5
149.09583	2.4
149.13252	5.8
151.11176	5.1
153.09119	31.8
155.07141	3.0
158.99739	7.3
163.14745	3.5
165.12796	2.4
167.07086	4.1
167.10655	2.1
171.10149	15.6
173.13266	12.5
175.14818	3.1
176.07631	2.5
177.00722	6.1
181.04951	2.0
182.15440	1.5
191.14310	9.3
197.08304	3.7
206.08876	14.7
206.59065	3.5
209.15346	16.7
215.09456	5.2
227.08580	2.7
227.16396	35.9
249.11646	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03959	1.4
55.01868	2.5
55.05513	11.4
56.92804	1.1
56.96563	1.7
57.03421	2.4
57.07056	3.4
59.04989	2.6
59.93813	0.7
61.02946	1.0
65.03935	1.2
67.05508	8.4
69.03424	8.2
69.06732	0.9
69.07070	10.6
70.06591	1.1
70.86617	2.2
71.05009	6.1
73.02906	1.5
78.04697	2.0
79.05497	9.8
81.06642	1.3
81.07064	11.7
83.04984	5.8
83.08627	5.2
84.08154	1.3
85.02940	1.4
85.06557	10.3
86.09695	4.0
87.04446	0.8
91.05489	7.3
92.05814	0.9
93.07053	12.5
95.04977	20.4
95.08619	7.8
97.02876	2.1
97.06545	8.9
97.10178	2.6
98.97604	5.8
99.04450	3.8
99.08101	11.3
100.11267	13.2
103.05449	2.5
105.07035	6.6
106.04189	1.6
107.04951	6.8
107.08607	12.9
109.06549	6.9
109.10164	6.9
111.04429	2.3
111.08077	1.8
113.05995	1.3
113.09675	1.2
115.07565	8.0
116.98626	2.7
119.01922	1.4
119.04972	0.9
119.08548	2.6
121.06530	6.6
121.10161	13.7
123.04437	6.0
123.08057	2.6
123.11726	6.1
124.05205	1.1
125.06001	1.8
125.09632	12.6
127.07527	1.5
131.08560	6.5
133.10136	9.0
134.03658	0.8
134.99709	1.1
135.04382	1.3
135.08057	3.0
135.11699	3.0
137.06044	1.5
137.09605	2.1
139.07552	2.0
139.11131	2.8
140.04646	1.3
145.10120	3.9
147.11678	3.1
149.05980	7.1
149.09656	12.3
149.13286	2.2
151.11172	5.2
153.09103	10.7
153.12688	1.8
155.07051	1.8
158.99667	3.6
159.04297	1.2
163.11171	2.1
163.14932	2.2
167.07053	100.0
167.10686	7.0
168.07388	2.2
171.10182	1.6
173.13261	3.8
177.00710	1.5
177.05531	7.3
181.04987	2.1
181.08757	1.1
191.10687	4.4
191.14378	7.6
194.05763	1.5
195.06465	2.2
209.08194	7.2
209.11777	2.5
209.15234	10.7
227.06848	1.0
227.08856	1.1
227.12703	6.8
227.14522	1.5
227.16275	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	227.128
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01862	10.2
55.05508	42.6
56.96564	44.8
58.69105	5.5
67.05499	20.0
69.07070	28.1
71.04996	10.9
71.55749	6.8
73.02927	9.8
78.04702	8.7
79.05494	29.9
80.13460	5.4
81.03450	9.1
81.07057	47.4
81.39538	5.7
81.71317	5.8
83.05000	11.4
83.08623	24.6
85.02915	14.0
85.06551	10.7
85.94521	5.8
91.05502	35.5
93.07055	43.2
95.04968	11.7
95.08624	18.2
95.95670	5.9
97.06551	12.1
97.10193	16.5
98.97598	47.0
99.04475	5.6
99.08133	6.5
100.11263	81.9
103.05481	6.5
105.07032	14.0
107.04967	16.6
107.08585	16.9
109.06489	8.6
109.10152	14.2
116.98663	29.9
117.07021	7.7
119.08607	20.0
121.06516	41.4
121.10139	54.9
123.04422	19.3
125.09615	10.1
131.08614	10.1
133.10146	10.5
134.99651	9.1
135.08057	11.1
135.11703	17.4
137.05974	10.0
143.08636	9.2
145.10124	12.5
149.06012	12.0
149.09636	10.6
155.08603	6.5
157.10130	9.7
158.99698	10.7
163.11214	22.4
167.07072	100.0
171.11713	14.7
173.09665	8.2
177.00638	9.5
177.05466	24.7
181.05020	9.2
181.10133	6.2
181.12265	17.2
190.95395	6.2
191.10651	14.3
209.08012	7.4
209.11774	11.4
209.16568	12.4
212.14418	8.4
227.07173	8.2
227.10651	13.5
227.12605	11.4
227.14384	14.2
227.17818	28.2
228.17490	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	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
52.12703	2.9
52.53250	3.2
53.03929	5.5
55.01851	12.8
55.05510	38.4
56.96543	11.8
57.03418	7.1
57.07055	7.4
61.18535	3.1
65.03920	4.6
67.05511	36.7
69.03407	6.9
69.07061	22.6
69.75131	19.4
71.04966	9.3
73.02896	6.4
79.05083	3.3
79.05493	50.2
81.03385	6.8
81.07062	45.5
82.07355	3.0
83.04943	9.8
83.08630	26.9
85.06495	11.1
91.05476	25.1
93.07053	63.5
95.04949	14.5
95.08611	73.3
97.02853	9.8
97.06530	6.9
97.10120	13.3
98.97609	17.1
99.04422	8.4
99.08022	4.1
100.11266	41.9
103.05457	6.5
105.07053	17.2
107.04997	18.5
107.08000	3.6
107.08598	49.2
109.06493	7.8
109.10093	12.0
111.04443	7.1
111.08048	4.2
113.06003	4.5
116.98556	9.1
117.06943	11.3
119.08572	16.1
121.06553	15.0
121.10163	21.2
123.04393	6.3
125.05932	5.6
125.09601	10.3
128.06232	3.9
129.07004	3.2
130.07756	4.9
131.04843	3.4
131.08488	8.7
133.10059	7.5
135.08014	6.2
135.11700	64.6
137.05927	8.4
137.33197	3.1
140.04648	3.6
142.07658	3.4
143.08490	9.4
145.10110	43.9
149.05917	10.0
149.09573	3.3
151.07516	3.2
153.06969	4.4
155.07065	5.1
155.08434	4.2
157.10062	9.2
159.04280	3.5
163.09915	5.4
163.11183	86.1
167.05676	3.5
167.07048	65.4
169.10008	3.4
171.11700	7.5
177.00638	3.8
177.05470	15.3
181.04958	4.8
181.12250	20.3
185.09633	4.2
185.13142	7.2
189.11137	4.8
191.10641	3.7
192.05606	3.1
209.07961	5.5
209.11581	8.5
209.16492	6.8
212.08206	3.5
227.06903	7.3
227.10526	9.9
227.12653	100.0
227.17754	29.9
228.10114	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	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.65635	1.3
53.03940	2.2
55.01857	2.9
55.05506	6.9
56.96559	5.7
57.03432	4.3
57.07069	5.6
65.03940	2.7
67.05178	1.7
67.05511	25.5
69.03423	3.5
69.07073	7.6
69.26204	5.8
69.26630	7.6
71.05000	20.7
77.02408	1.5
79.05064	2.2
79.05500	29.1
81.07052	8.8
83.04988	7.0
83.08627	2.2
85.02878	1.6
85.06549	100.0
91.05482	19.4
93.07053	25.1
95.04955	13.1
95.08608	5.7
97.06528	4.7
98.21500	3.3
98.97590	36.7
99.04449	5.0
99.08099	8.7
99.34723	1.4
100.11269	9.7
105.07037	23.3
107.04956	14.6
107.08599	32.2
109.06504	7.9
109.10168	4.5
111.04469	12.9
115.07599	1.5
116.98642	9.7
117.07042	6.9
119.01779	1.6
119.08583	21.6
121.06520	15.2
121.10155	23.6
123.08090	3.8
123.11721	2.4
123.19324	1.4
125.06036	10.3
125.09601	2.0
129.06979	4.6
130.07669	1.4
131.08578	61.4
133.10141	45.2
134.06744	3.6
134.10455	3.7
134.99731	1.7
135.08022	4.3
135.11707	8.7
137.06076	2.0
137.09648	8.5
137.13327	1.7
143.07190	1.6
143.08495	2.4
145.10143	28.5
147.08028	5.6
149.05972	3.1
149.09628	68.0
151.11034	1.6
153.05486	6.2
153.09056	2.1
155.07108	3.4
158.99686	13.4
161.07201	2.6
163.07552	1.9
163.11191	23.9
165.09158	10.9
165.12953	1.6
167.07088	8.7
167.10693	35.1
173.09683	8.0
173.13203	2.1
175.14804	1.4
176.07764	6.3
177.00711	7.3
179.10696	2.8
191.10684	57.8
191.14281	4.0
197.11719	2.6
206.08846	8.8
209.09744	2.8
209.11734	51.9
212.08318	1.8
227.10663	2.1
227.12715	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	227.0916
Annotation	Ampelopyrone
Peak:m/z	Relative Intensity
53.03946	0.5
55.01865	0.4
55.05500	0.5
56.96579	0.3
57.03423	0.4
57.07078	0.2
65.03932	0.3
66.55362	0.2
67.05498	0.5
68.67975	0.2
69.03432	0.5
69.07064	0.6
69.50577	0.3
69.50978	1.4
70.06567	0.2
70.85713	0.2
71.04977	0.8
73.02900	0.4
77.03928	0.2
78.04715	1.3
79.05497	2.4
81.03443	0.3
81.07053	1.0
83.04985	0.5
83.08611	0.3
85.02917	0.3
85.06514	0.4
91.05473	1.7
93.03403	0.2
93.07044	2.0
94.04181	0.3
95.04971	3.3
95.08600	0.6
97.02911	0.3
97.06532	0.8
97.10150	0.3
98.97613	0.4
99.04454	0.8
99.08108	0.9
100.11255	0.6
102.91399	0.2
103.05442	0.9
105.03385	0.3
105.07030	0.8
106.04180	1.5
107.04963	5.3
107.08606	1.3
107.97314	0.2
109.06512	0.9
109.10159	0.6
111.04488	0.3
111.08069	0.3
113.00858	0.2
115.05624	0.2
115.07571	0.7
119.04935	0.4
119.08593	0.4
121.06508	2.8
121.10133	1.1
122.03639	0.2
123.04433	3.7
123.08084	0.2
123.11719	0.5
124.05220	1.7
125.05985	0.4
125.09614	0.5
127.07551	0.6
128.06204	0.2
131.01944	0.6
131.04916	0.2
131.08603	0.4
133.06517	0.2
133.10136	1.6
134.03708	0.5
135.04416	0.6
135.08084	0.3
137.05977	0.7
139.07513	0.3
139.11160	0.4
143.10657	0.2
145.10097	0.3
147.11702	0.4
148.05116	0.3
149.04797	0.3
149.05988	4.4
149.09676	0.5
149.13252	0.3
151.03920	0.6
151.11206	0.7
152.04729	1.6
153.05452	0.3
153.09134	1.0
163.14743	0.2
166.06250	0.4
167.07045	100.0
168.07372	1.6
171.10146	0.3
173.13303	0.5
176.05002	0.5
177.05489	4.9
178.06194	0.4
179.06966	0.2
181.08592	1.9
185.05504	0.4
191.14322	0.7
195.06535	0.8
206.56189	0.3
209.08098	2.8
209.11597	0.3
209.15361	0.8
227.09125	0.4
227.16452	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03943	1.7
55.01884	3.6
55.05506	4.4
57.03439	3.2
57.07083	8.7
57.57059	1.5
65.03928	1.9
66.07521	1.4
67.05511	27.4
67.71037	1.6
69.03427	2.1
69.07063	7.0
70.67048	4.8
71.05003	19.0
79.05505	30.2
81.07062	6.7
83.04988	10.9
85.02929	1.9
85.06554	100.0
91.05495	21.6
93.07055	26.5
95.04973	9.8
95.08592	2.1
95.27391	1.6
97.06524	5.3
99.08114	3.9
100.11272	2.1
103.05474	1.5
103.18568	1.6
105.07033	21.5
107.04980	12.1
107.08608	29.8
109.06504	5.3
111.04486	13.4
117.07024	6.6
119.08605	18.9
121.06536	14.5
121.10164	23.9
123.04438	2.9
123.08099	2.0
125.06011	5.5
128.29591	1.6
129.07004	6.6
130.07774	1.9
131.08578	72.9
133.06500	1.7
135.04391	2.2
135.08005	3.1
135.11682	7.8
137.06015	2.0
137.09601	8.4
139.07599	2.2
140.04639	2.7
145.06488	2.0
145.10146	30.4
147.08058	7.6
149.06000	1.8
149.09628	76.8
150.09958	2.2
153.05461	3.7
153.09091	2.1
155.07039	3.3
163.07556	3.7
163.11214	25.1
165.09113	16.1
167.07016	6.1
167.10686	33.7
173.09637	7.9
179.10709	2.4
181.04988	2.3
191.10683	58.0
209.08511	2.1
209.11749	55.4
227.12811	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	227.0703
Annotation	Dithranol
Peak:m/z	Relative Intensity
51.73236	0.1
52.30185	0.2
55.01867	0.7
55.05512	0.9
58.01896	0.2
63.02374	0.2
63.32353	0.2
64.65224	0.2
67.05503	0.5
68.56976	0.2
68.99804	0.9
69.07071	0.3
71.05005	0.2
72.68420	0.2
74.77417	0.2
75.54627	0.2
75.64787	0.2
79.05513	0.4
81.07048	0.6
83.08643	0.2
91.05502	0.9
93.07041	0.3
95.08622	0.2
97.10162	0.5
100.11267	0.9
103.05453	0.3
107.08598	0.4
112.96111	0.2
115.05457	1.7
117.07008	0.4
125.09647	0.4
127.05461	0.3
128.06230	7.1
129.07024	2.2
131.04936	1.2
131.08577	0.5
141.07002	1.7
142.07828	0.2
143.08578	3.4
145.06468	1.5
152.06183	3.1
153.07008	5.6
154.07814	0.4
155.06065	0.9
155.08557	0.7
156.05705	0.3
157.06496	7.9
159.08075	0.6
165.06920	0.3
168.05841	0.3
169.06456	1.5
170.07251	0.5
171.08060	5.5
173.05997	5.1
177.05437	0.2
181.06444	5.6
182.07239	0.4
183.08069	0.8
184.03949	0.2
184.05206	10.8
185.05986	21.7
186.06354	0.3
189.11259	0.2
193.06517	0.3
197.05986	2.7
198.06760	5.6
199.07547	40.7
200.07919	0.5
209.05881	1.1
209.09595	0.3
209.16504	0.2
210.04701	0.3
210.06769	5.8
212.04662	0.6
225.05493	0.4
226.06252	6.1
226.08496	0.4
227.07033	100.0
228.07365	1.3
229.17206	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0706
Annotation	Dithranol
Peak:m/z	Relative Intensity
51.02374	0.1
55.01876	0.9
55.05511	0.2
63.02386	0.1
65.03934	0.2
68.99791	1.0
69.07058	0.1
71.01336	0.1
79.05479	0.2
80.21564	0.1
83.08595	0.1
91.05470	0.3
95.04941	0.1
97.21754	0.1
100.11269	0.4
102.04616	0.1
103.05473	0.5
107.04987	0.1
107.08521	0.1
109.10165	0.1
115.05457	1.6
117.07018	0.5
125.09599	0.1
126.28091	0.1
127.05484	0.2
128.06226	7.6
129.07022	2.6
131.04935	1.1
131.08559	0.2
134.03607	0.1
139.05374	0.1
141.06998	1.7
142.07765	0.2
143.08568	3.1
144.05705	0.2
145.06497	1.4
147.04414	0.1
148.85417	0.1
148.86685	0.1
151.05463	0.1
152.06209	3.3
153.06999	5.9
154.07794	0.7
155.04901	0.2
155.06029	1.1
155.08545	0.8
156.05627	0.5
157.06499	9.0
158.06773	0.1
159.04401	0.2
159.08063	0.6
165.07002	0.4
168.05721	0.2
169.06485	1.5
169.07822	0.1
170.07164	0.4
171.08057	6.9
173.05995	5.0
174.06230	0.1
179.06039	0.2
181.06470	7.2
182.07170	0.4
183.08087	0.9
184.05205	12.1
185.05984	24.0
186.06299	0.3
193.06471	0.3
197.05980	2.7
198.06766	6.5
199.07541	41.3
200.07921	0.5
209.05881	1.1
210.06769	7.2
212.04730	0.7
225.05402	0.4
226.06255	7.6
227.07027	100.0
228.07352	1.3
240.12088	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
51.60033	2.6
53.03938	6.7
55.01881	3.5
55.05511	19.7
56.96579	3.3
57.03436	6.8
57.07078	5.3
59.05007	5.2
61.02917	10.5
67.05518	16.2
69.03420	12.8
69.07069	23.5
70.02554	11.5
71.04994	45.5
76.55087	2.9
79.05486	18.7
81.03415	7.2
81.07065	54.1
83.04990	18.1
83.08601	9.7
85.02896	13.1
85.06524	7.9
91.05493	32.6
93.07055	36.1
95.04976	16.0
95.08614	35.4
97.02901	4.1
97.06539	14.8
97.10162	3.8
98.97583	9.6
99.04459	100.0
99.05104	5.8
99.08078	6.8
105.03394	3.5
105.07037	49.0
107.04935	5.7
107.08607	53.3
109.06527	38.5
109.10146	19.6
111.04459	2.8
111.08078	17.5
111.91294	2.7
113.09666	6.9
115.07560	8.8
117.06976	5.7
119.04966	7.8
119.08591	49.7
121.06492	7.6
121.10143	53.0
123.04418	6.9
123.08064	33.8
123.11723	20.2
125.05962	6.1
125.09651	8.1
127.07534	4.9
127.11200	3.9
131.08572	10.5
133.06506	7.0
133.10121	19.6
135.08029	8.2
135.11679	9.7
137.05977	5.5
137.09637	30.2
137.13237	8.2
139.07582	4.5
139.11153	3.4
141.09096	4.6
143.08531	4.9
145.10130	11.1
147.04445	6.5
147.08046	7.8
147.11703	36.1
149.09627	74.9
151.07588	17.8
151.11177	20.6
156.09387	6.2
159.08072	4.1
159.11674	5.5
161.09612	7.5
161.13278	25.1
163.11217	13.5
164.04539	3.7
165.05452	4.9
165.09109	6.9
165.12817	23.7
167.06937	3.6
167.10699	14.1
171.11736	16.0
174.10466	5.2
175.03929	10.8
177.12692	4.3
179.07115	6.7
179.10596	4.4
179.14255	9.1
181.12152	4.0
183.06560	4.3
183.13823	12.8
189.12761	38.6
195.13788	11.6
205.07953	4.4
207.06557	13.3
207.13821	51.4
225.11136	4.2
225.14815	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03940	8.4
55.01859	8.6
55.05513	22.4
56.96558	11.5
57.07071	5.6
59.04998	4.0
67.05519	17.7
69.03434	25.3
69.07073	15.6
71.05003	41.1
71.27222	6.2
79.05486	21.4
81.03398	4.2
81.07060	24.1
83.04976	11.6
83.08601	11.7
84.08157	31.6
85.02899	14.7
85.06526	6.1
91.05486	49.0
93.07051	26.0
95.04980	20.9
95.08610	24.7
96.08111	11.2
97.06530	13.7
98.97569	12.5
99.03845	6.4
99.04466	100.0
105.03382	11.7
105.07040	27.2
107.04942	10.4
107.08608	46.9
108.05758	4.3
109.06544	39.7
109.10147	14.3
111.04463	5.2
111.08088	11.3
113.05998	4.2
113.09678	3.7
116.98644	6.9
117.07042	4.2
119.04970	22.8
119.08604	34.8
121.02893	5.3
121.06519	7.3
121.10161	39.6
123.04440	10.7
123.08103	28.0
123.11721	17.5
125.05992	4.0
125.09649	15.9
128.06154	3.9
130.08600	6.0
131.08546	9.9
132.02118	4.0
133.06512	3.8
133.10124	14.0
135.04390	7.9
135.08064	7.9
135.11707	8.1
136.05194	11.4
137.05998	27.3
137.09612	8.5
137.13275	4.9
139.11174	5.8
141.07014	3.5
141.09059	4.0
143.08565	6.6
145.10123	11.8
147.04436	23.7
147.08078	9.9
147.11681	20.6
149.09618	25.8
151.07536	25.0
151.11227	4.4
155.07147	3.9
156.09373	4.9
158.99617	4.2
159.11661	8.2
161.09636	7.8
161.13261	14.1
162.12773	20.8
163.11186	14.7
164.04695	4.3
165.05455	15.7
165.09091	4.2
165.12784	13.7
167.07077	6.4
167.10683	23.1
169.08597	4.7
171.11659	8.9
175.03943	16.6
177.00592	5.1
177.12798	6.0
179.05556	9.1
179.07042	81.3
179.14323	4.0
180.13776	4.5
183.06528	8.0
183.13800	26.5
189.12776	30.4
192.04192	10.6
193.04944	3.8
201.03018	3.9
207.06537	25.5
207.12029	6.1
207.13852	31.1
225.07500	12.9
225.14807	20.6
225.16328	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	225.1487
Annotation	MKN-003A
Peak:m/z	Relative Intensity
53.03962	0.8
55.05506	5.3
57.07080	1.0
59.04987	1.0
67.05505	3.9
67.53736	0.9
67.60486	0.8
69.03422	0.9
69.07066	2.8
70.27769	2.9
71.05000	37.3
77.64026	0.8
79.05499	4.2
81.03419	1.7
81.07068	6.5
83.04982	2.9
83.08627	6.1
83.93573	0.8
85.02902	3.2
91.05480	3.7
93.07035	5.3
95.04974	0.9
95.08601	9.3
97.06544	2.2
98.97562	1.1
99.04463	100.0
101.02380	1.6
105.07017	5.6
107.08606	30.5
109.06535	20.9
109.10158	1.9
111.08085	2.1
113.09652	3.7
119.08614	2.4
121.10157	9.5
123.08070	17.3
123.11720	13.3
125.05995	2.5
125.09661	8.2
131.08609	1.4
133.10103	0.8
137.09637	1.5
139.11172	2.7
141.12799	1.7
145.10130	1.4
147.11703	6.5
149.09634	10.0
151.07541	2.1
151.11241	1.1
163.11151	2.3
165.12805	7.8
167.10693	21.3
171.47079	0.9
174.78972	0.8
183.13817	28.8
189.12813	1.5
207.13777	2.6
225.14856	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	225.1487
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
52.24284	1.2
55.01863	1.6
55.04170	1.2
55.05507	2.1
57.07075	3.9
62.34429	1.1
63.41760	1.2
67.05506	5.6
69.03438	1.6
69.07072	2.0
69.48372	7.7
70.58489	1.2
71.05013	1.9
72.01006	1.2
74.93632	1.1
79.05486	3.5
81.07065	22.8
83.05002	2.7
85.02914	100.0
91.05490	11.2
93.07069	3.8
95.05010	2.3
95.08608	7.6
97.06540	1.9
99.04470	5.8
105.07022	7.2
107.08604	7.1
109.06555	2.3
109.10143	9.4
117.07043	1.2
119.04967	8.6
119.08600	6.5
121.10158	11.9
123.08084	2.8
123.11722	79.6
125.05976	9.4
125.09605	1.8
129.06952	1.2
131.08620	1.8
133.10126	2.3
137.09634	2.5
139.07539	1.3
139.11354	1.4
141.05508	1.8
143.08549	1.8
147.04422	4.5
147.08055	4.5
147.11720	4.8
149.09621	10.5
151.07570	2.7
153.68230	1.2
161.09633	2.3
161.13205	2.7
163.11304	2.8
165.05560	1.5
165.12836	2.2
167.10704	2.4
169.08662	1.4
174.10416	1.4
175.03935	8.1
189.12796	6.1
192.04210	3.8
207.06589	8.6
207.10255	3.6
207.13818	19.0
225.14917	8.4
239.19624	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1123
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
51.02375	1.3
53.03938	2.3
55.01867	5.2
55.05519	15.0
56.15703	1.1
56.96563	3.3
57.03423	4.4
57.07072	2.4
58.11824	1.4
59.05001	1.5
65.03926	2.6
67.05510	15.7
69.03442	14.5
69.07061	4.3
70.06602	1.6
70.79150	2.4
70.79521	2.4
71.01368	1.8
71.05002	21.0
79.05063	1.7
79.05498	23.0
81.03408	4.2
81.07061	20.2
82.09352	1.0
83.04984	10.0
83.08605	4.3
85.02924	6.8
85.06541	2.9
86.09747	1.3
91.05487	60.5
93.07050	22.5
95.04975	24.4
95.08632	10.5
97.02955	1.6
97.06546	10.4
98.20902	1.4
98.97567	6.0
99.04464	52.9
99.05109	2.5
99.08078	1.6
103.05464	3.8
105.03408	3.7
105.04508	1.4
105.07040	70.1
107.04961	14.2
107.08603	32.3
108.04510	2.0
109.06527	25.2
109.10191	6.6
111.04440	1.8
111.08089	3.3
113.05983	1.7
115.05449	2.3
115.28090	1.2
116.98592	3.4
117.07030	15.7
119.04963	14.1
119.08591	100.0
120.08871	1.4
121.06537	9.0
121.10159	21.5
123.04424	8.9
123.08073	24.2
123.11711	6.3
125.05994	10.8
125.09648	7.9
127.03921	2.0
127.07549	2.7
128.06232	13.0
129.07022	19.9
130.07800	2.3
131.08589	11.3
133.06532	9.1
133.10147	43.8
135.04410	3.8
135.08058	8.8
135.11694	8.1
136.03938	2.3
137.05977	6.2
137.09637	17.2
137.13251	3.7
139.07564	1.5
141.05501	1.3
141.06931	1.2
141.12813	1.3
143.07498	2.2
143.08575	35.6
145.06511	2.8
145.10146	15.8
147.04401	4.6
147.08057	85.1
147.11754	6.1
148.08443	2.4
149.09636	30.6
151.07544	11.4
151.11156	7.3
152.08304	3.6
153.05466	4.3
153.09088	4.8
158.99655	2.9
161.06004	12.9
161.09637	48.5
161.13307	7.2
163.11195	31.9
165.05495	8.3
165.06699	1.9
165.09135	17.2
165.12753	7.5
167.10706	10.1
169.08606	3.0
171.08047	3.3
171.11739	3.1
175.03931	5.1
177.09074	2.8
179.07033	4.4
179.10654	12.4
179.14249	6.2
181.08627	2.2
181.12241	10.7
183.13857	10.3
189.09131	28.0
189.12778	9.3
192.04155	1.3
195.10179	18.0
195.13895	1.7
207.06531	7.9
207.10184	99.3
207.13698	16.3
223.09067	1.8
225.09062	3.3
225.11226	38.4
225.14803	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	225.076
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
51.95648	0.8
53.02676	0.8
55.01865	3.7
55.05511	4.2
56.96564	3.8
57.03427	2.2
57.07065	1.8
57.62328	0.8
65.03946	4.6
67.05519	6.8
69.03431	4.9
69.07075	4.2
69.73768	4.1
71.05000	4.5
74.03240	0.9
77.03894	1.2
79.05499	7.6
81.03401	1.0
81.07067	14.9
83.04993	10.8
83.08615	1.9
84.08141	1.0
85.02913	31.1
85.06541	1.8
87.04453	0.9
89.03882	1.2
91.05491	65.8
93.07055	7.7
95.04507	0.8
95.04993	7.7
95.08611	10.4
97.02892	0.9
97.06539	7.4
98.97609	6.3
99.04451	5.8
101.02354	1.3
103.05460	2.9
105.03392	3.0
105.07047	11.9
107.04951	3.0
107.08603	11.3
108.05758	1.8
109.06530	4.3
109.10165	5.9
111.04475	2.4
111.08073	2.8
113.05994	1.3
113.45793	0.7
115.03957	0.8
116.98628	2.4
117.07027	1.0
118.04176	7.3
119.04954	60.6
119.08585	13.1
121.01071	1.5
121.02877	2.3
121.06503	1.6
121.10166	10.0
122.03654	1.3
123.04462	4.5
123.08090	10.1
123.11723	21.7
125.06031	6.2
125.09663	1.0
128.06195	0.9
128.91249	0.9
129.07002	2.2
131.08565	2.0
132.02086	4.9
133.02858	2.4
133.06505	1.7
133.10127	5.6
135.04420	2.9
135.08076	2.4
135.11725	1.9
136.05165	2.2
137.05963	2.3
137.09616	3.3
137.13335	1.0
139.03859	0.9
139.07608	1.2
143.08585	3.1
145.02853	2.5
145.10126	2.8
146.03630	2.1
147.04425	52.9
147.08072	9.1
147.11685	5.8
149.00568	3.9
149.02342	8.2
149.07692	0.9
149.09633	8.6
151.07568	4.1
153.05440	1.3
157.03998	5.7
158.99646	1.5
161.09637	5.0
161.13248	2.5
163.03952	1.3
163.11200	8.5
164.04678	7.4
165.00092	2.1
165.05481	2.3
165.09128	2.6
165.12842	4.9
167.10692	2.4
169.08582	1.2
171.11700	1.2
174.03143	1.9
175.03922	86.3
176.04221	1.3
177.00569	1.6
177.01846	2.7
179.07051	5.3
179.10591	1.5
179.14322	2.4
180.04156	1.1
181.12233	2.7
183.06554	1.8
183.13843	4.2
189.09079	2.7
189.12700	4.9
192.04193	30.5
192.99612	4.4
193.04935	1.9
195.10150	1.8
203.99532	0.9
204.31718	0.9
207.06544	100.0
207.10144	8.7
207.13791	12.0
208.06824	1.2
221.97958	1.0
225.07509	2.3
225.11183	5.5
225.14783	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	225.0759
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03958	3.1
54.01231	1.2
55.01864	4.1
55.05512	5.8
56.96564	4.0
57.03447	2.3
57.07098	1.5
65.03950	4.4
65.08883	1.3
65.86762	1.4
67.05501	7.5
69.03433	3.8
69.07072	5.9
69.94601	7.6
71.04993	2.9
77.03928	1.8
79.05503	8.5
81.03419	2.1
81.07068	14.9
83.04990	25.5
85.02924	8.5
85.06551	2.8
89.03906	2.4
91.05489	71.1
93.07047	9.9
95.04982	12.3
95.08620	11.6
97.06547	12.1
98.20763	1.7
98.97576	7.6
99.04446	8.7
103.05457	3.6
103.44049	1.3
105.03391	4.2
105.07056	13.0
107.04965	4.9
107.08609	13.2
107.39333	1.4
109.06522	9.9
109.10191	3.4
110.91962	1.5
111.04447	3.0
111.08083	3.4
112.35223	1.6
116.98616	3.9
117.07006	2.8
118.04180	8.8
119.04958	68.6
119.08584	11.7
121.02906	1.8
121.06494	4.2
121.10145	13.8
123.04449	4.9
123.08069	7.9
123.11720	6.5
125.05972	11.2
129.03424	2.3
129.07042	1.9
131.08585	2.5
132.02086	6.1
133.10121	5.7
135.04391	2.6
135.08092	2.5
135.11716	2.1
137.05983	3.0
137.09607	4.3
143.08527	2.7
145.02863	1.5
145.10110	2.1
146.03561	1.8
147.04420	52.2
147.08044	7.3
147.11713	8.2
149.00526	3.5
149.02354	10.2
149.09607	9.3
151.07559	6.0
151.11194	1.6
157.03987	4.2
158.99644	1.7
161.09602	4.1
161.13289	2.3
163.03937	1.6
163.11186	13.0
164.04755	6.5
165.00142	2.6
165.05453	2.0
165.08998	3.2
165.12753	10.6
167.10690	3.1
174.03249	1.5
175.03920	85.0
177.01915	3.5
177.21475	1.3
179.07074	7.3
181.08630	2.2
181.12259	4.5
183.06516	3.5
183.13838	8.9
189.09192	2.6
189.12753	3.4
192.04167	26.8
192.99603	2.9
193.04936	4.8
195.10271	2.2
207.06534	100.0
207.10178	6.0
207.13777	13.0
225.07449	2.7
225.11150	5.7
225.14836	15.2
230.95659	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	1.5
59.46691	0.7
69.80193	4.3
81.07029	1.1
82.99840	2.5
84.96017	1.8
91.05469	1.0
97.03819	0.8
98.97617	1.5
99.04453	1.0
101.00886	31.3
102.00974	1.5
107.08593	0.8
116.98770	2.5
119.01926	70.7
120.01996	1.1
123.08042	1.0
124.02464	1.0
134.99933	3.6
137.02960	15.2
138.03018	1.0
140.98807	3.9
142.03505	10.0
158.99892	14.7
160.00008	1.0
160.04552	3.4
161.02960	4.8
164.98674	0.7
169.47852	0.8
175.03036	2.2
175.73958	0.8
177.00960	100.0
178.01027	6.5
178.94194	0.9
179.04007	6.5
182.99847	3.7
183.01326	0.9
184.04630	1.3
195.02020	1.4
199.50230	1.2
200.02574	1.1
201.00883	7.3
201.02463	1.9
202.02686	1.2
202.05605	1.0
207.01488	1.0
207.06401	0.8
217.04085	12.0
219.02011	92.5
219.94543	1.0
220.02119	9.8
221.02271	1.1
225.00627	3.6
225.04260	1.1
234.00719	2.1
237.95636	0.9
242.03703	1.1
243.01987	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	223.2059
Annotation	Laggerol
Peak:m/z	Relative Intensity
53.03959	0.7
55.05515	8.9
56.96565	2.1
57.07080	3.8
59.04985	1.2
67.05511	10.3
68.08556	0.9
69.06725	1.1
69.07076	16.9
70.26668	2.2
71.04975	2.0
71.08635	1.6
73.48926	0.7
79.05511	5.0
81.07066	22.4
83.04981	1.7
83.08627	5.5
85.06531	1.5
91.05477	2.1
93.07051	11.1
95.05029	0.8
95.08617	27.2
96.18549	0.7
97.06506	1.4
97.10175	8.7
99.08089	1.2
100.92472	0.8
105.07024	1.1
107.04974	1.0
107.08601	12.4
109.10166	28.2
111.08102	1.3
111.11723	3.8
113.09671	4.8
116.98622	0.7
117.07083	0.8
118.96716	0.7
119.08617	1.5
121.02871	0.6
121.10145	8.7
123.04346	0.8
123.08054	0.8
123.11716	18.1
125.09627	0.9
125.13196	0.8
135.11702	12.2
139.07533	0.8
149.02362	4.0
149.09802	0.9
149.13281	14.0
153.12753	0.7
158.10899	0.8
162.03142	1.2
163.03954	1.4
163.14847	1.7
173.13379	1.0
173.17482	0.7
177.00879	0.7
179.03569	0.8
194.94675	0.9
203.07248	1.3
205.19530	7.1
223.06023	2.7
223.07678	1.8
223.11333	1.4
223.13312	2.5
223.16965	2.7
223.20592	100.0
224.20992	2.2
225.04320	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1282
Annotation	Maokonine
Peak:m/z	Relative Intensity
51.35052	0.7
56.96578	2.7
58.06601	4.7
59.05013	1.3
62.15297	0.6
68.05037	1.5
70.08956	2.1
70.72249	0.7
72.08144	0.7
79.05508	6.7
81.07067	0.7
84.96027	1.0
91.05481	9.0
93.07036	1.6
95.04991	0.8
97.02858	0.7
98.97598	1.1
103.05471	12.5
105.07035	37.4
107.04971	4.6
115.05439	0.9
116.98696	0.9
117.07014	1.6
117.16086	0.7
118.06548	13.8
119.04946	0.7
119.07312	1.8
119.08617	0.8
120.07251	1.3
120.08115	23.9
121.08465	0.9
128.06245	5.7
130.06502	3.6
131.04929	3.8
131.07307	3.7
131.08574	1.5
132.08098	2.0
136.07555	2.3
143.08615	4.3
145.08940	1.1
149.02307	0.6
151.07491	0.6
158.09633	1.1
158.99742	0.7
160.11223	100.0
161.11566	1.6
178.03261	1.3
178.12279	81.9
179.12625	0.9
180.13783	1.6
184.38998	0.7
201.04341	1.3
206.11763	11.9
207.98126	0.7
219.05457	1.0
224.03676	1.2
224.12811	32.3
224.16466	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	223.1695
Annotation	Rishitin
Peak:m/z	Relative Intensity
50.76697	1.2
53.03948	3.6
55.01868	4.4
55.05518	16.1
56.05024	3.7
56.96559	2.1
57.03420	2.5
57.07068	5.5
65.03947	4.4
67.05511	88.7
69.03425	3.5
69.07067	12.0
69.48548	5.4
69.48985	5.6
71.04987	7.5
77.03906	1.4
79.05499	53.2
81.03429	2.0
81.07066	70.5
83.04980	5.2
83.08639	8.1
85.02892	3.3
85.06544	6.8
91.05489	28.4
92.64386	1.6
93.07054	100.0
95.04968	5.7
95.08617	66.8
95.15149	1.5
97.06540	5.0
97.10150	3.0
98.97607	2.2
99.08092	2.1
105.07031	10.7
107.04924	3.5
107.08606	65.9
109.06557	8.2
109.07160	1.7
109.10166	47.3
111.08082	3.9
117.07027	5.7
119.08585	11.0
121.06506	12.7
121.10162	61.7
123.08086	5.8
123.11729	14.2
125.05983	3.2
125.09646	2.7
126.01086	13.1
131.08572	17.3
133.10136	4.7
134.01816	2.6
135.08069	20.3
135.11688	13.4
137.05962	2.1
137.09587	3.2
139.07536	5.1
145.10107	15.0
147.08121	1.8
147.11681	5.2
149.02332	3.2
149.09656	21.7
149.13222	3.7
153.09096	5.7
159.11754	5.2
161.13243	5.7
162.01367	4.6
163.03880	4.3
163.07600	2.6
163.11230	10.8
163.14842	51.0
167.07083	7.6
167.10689	5.2
177.09113	3.3
177.12834	3.7
177.16428	12.7
181.12280	6.2
187.14832	20.6
190.00813	2.2
205.08670	4.2
205.12251	4.2
205.15889	24.3
208.01968	2.2
223.04211	9.3
223.06056	4.0
223.09602	1.9
223.13437	11.0
223.16948	33.4
225.04301	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	223.1693
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03932	5.1
54.11319	1.6
55.01872	7.7
55.05514	21.2
56.96563	3.2
57.03435	25.1
57.07061	5.1
59.05002	1.9
65.03934	3.3
67.05508	87.6
69.03420	3.2
69.07072	19.5
69.17615	1.4
70.06568	1.9
71.04999	35.6
71.55157	2.0
73.06573	2.3
75.86186	1.4
77.03940	2.0
79.05494	60.1
80.06680	1.7
81.03400	1.8
81.07062	75.6
82.07363	2.4
83.04986	10.4
83.08627	9.0
85.02901	3.8
85.06554	13.0
89.06036	1.6
91.05482	46.1
93.07047	99.8
95.04974	16.3
95.08610	100.0
97.02861	1.9
97.06538	26.3
97.10159	3.5
98.97552	4.4
99.08074	4.7
101.06000	1.6
105.04521	2.4
105.07039	23.6
107.04977	7.3
107.08600	62.9
109.06530	15.7
109.10155	47.3
109.88614	1.5
111.04478	1.6
111.08087	10.1
113.05996	1.6
117.07034	10.9
119.07797	2.6
119.08586	37.5
121.02783	1.8
121.06509	12.9
121.10150	62.2
123.08083	9.9
123.08815	1.6
123.11727	10.9
125.05965	2.1
125.09656	11.8
126.01066	4.6
127.07544	2.0
129.07008	2.0
130.07784	2.3
131.08574	20.7
133.10138	39.7
135.04427	2.9
135.08067	20.1
135.11708	17.4
137.05963	4.4
137.09619	10.6
139.07495	4.3
139.11171	15.6
145.10112	19.1
147.11673	6.1
148.42776	1.6
149.02350	7.4
149.05949	1.8
149.09633	20.4
149.13255	6.9
151.03920	13.4
151.11165	2.5
151.12898	1.4
153.09096	5.6
154.29103	1.5
158.99644	2.0
159.08119	1.4
159.11699	9.5
161.09573	1.9
161.13237	5.7
162.01318	4.3
163.03859	4.2
163.11217	11.6
163.13457	2.2
163.14824	33.3
165.09085	3.1
167.07028	2.8
167.10646	7.0
175.24951	1.6
177.12740	6.3
177.16423	8.3
181.12239	6.9
187.11305	1.9
187.14822	31.5
190.00838	3.2
190.02545	2.4
205.12241	6.4
205.15898	29.3
208.03693	2.0
223.04201	10.5
223.06047	7.5
223.09471	3.4
223.11339	3.1
223.13287	11.4
223.16919	44.2
223.20369	2.5
225.04309	4.2
227.02274	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	223.1331
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
51.57355	2.7
53.03708	4.1
53.03951	63.2
53.39006	2.2
55.01875	15.6
55.05508	11.6
56.13676	2.3
56.96564	13.2
57.07066	3.9
60.95863	2.5
62.43953	2.4
64.61263	2.3
65.03934	4.0
67.05511	74.4
69.03434	3.1
69.07074	12.6
69.23351	5.3
69.23764	18.4
71.01357	2.2
71.04991	8.7
77.22153	2.2
79.05502	44.3
81.03423	100.0
81.07065	76.6
83.04977	16.7
83.08617	3.8
85.02962	3.5
85.06566	4.2
91.05495	31.2
93.07050	43.5
95.04984	26.7
95.08055	4.0
95.08617	50.5
97.06541	5.8
98.97578	4.4
103.05452	4.8
105.07037	23.4
107.04960	27.6
107.08595	20.0
108.45850	2.7
109.02844	2.5
109.06506	8.7
109.10194	5.9
111.04475	2.7
111.08082	6.4
116.98610	3.5
117.07043	17.3
119.08557	6.7
121.02870	3.2
121.06551	12.8
121.10149	8.1
123.04463	3.4
123.08071	28.2
131.04895	4.1
131.08575	18.9
133.06502	5.4
133.10132	6.7
135.08066	5.9
135.11716	18.6
137.05954	3.2
137.09602	3.6
139.07512	4.8
141.06984	7.5
143.08588	4.1
145.06453	13.9
145.10127	7.1
147.11609	2.6
149.02374	28.1
149.06104	2.2
149.09653	5.0
149.13264	7.1
158.99689	3.3
159.08145	2.9
159.11702	20.0
163.03992	3.8
163.07547	3.2
163.11209	9.4
165.09128	2.7
167.03433	18.8
169.10126	6.2
176.93578	2.9
177.00729	5.6
177.12816	8.3
187.11121	12.5
194.94591	3.7
205.08611	5.5
205.12242	7.7
223.05946	26.9
223.09435	3.1
223.11365	4.5
223.13345	9.4
223.15176	3.0
223.16937	5.0
225.04366	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	223.133
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
51.26623	0.7
55.01884	0.7
55.05501	1.7
67.05492	2.6
70.07668	1.8
70.08066	1.6
74.99658	0.6
79.05481	2.0
81.07034	2.3
83.08595	0.8
84.08962	1.1
85.02908	58.6
91.05488	3.6
91.42046	0.7
93.07041	9.4
95.04948	1.2
95.08593	3.9
96.95930	0.6
98.21420	0.9
105.07043	3.2
107.08598	8.9
109.06509	2.8
109.10165	5.2
117.06978	1.3
119.08589	9.6
121.06492	1.6
121.10143	13.7
123.08035	1.7
129.07024	0.7
130.07764	0.9
131.08560	0.6
133.10162	0.7
134.60059	0.8
135.08047	1.1
135.11682	0.7
137.09622	31.1
139.07607	0.6
145.10132	3.1
147.08083	2.0
148.46208	0.8
159.11676	2.8
161.09616	1.1
163.11206	5.8
165.09126	3.4
170.50443	0.7
172.08900	0.7
177.12865	0.9
179.10655	4.4
187.11179	1.4
205.12253	5.7
218.24869	0.8
223.13295	100.0
224.13589	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1331
Annotation	Placidene C
Peak:m/z	Relative Intensity
51.60738	0.5
53.03927	0.7
55.01862	0.8
55.05516	6.7
56.05839	2.4
56.96564	0.9
57.07053	0.7
58.99559	0.9
59.04979	0.9
61.01475	0.5
67.05497	2.4
68.87990	0.6
69.03431	1.2
69.07050	0.9
69.22371	5.7
71.04992	0.8
79.05476	2.9
81.07049	1.9
83.04956	1.2
83.08621	6.2
84.08965	7.5
85.02912	54.7
85.06544	0.8
91.05478	3.6
93.07050	9.6
95.04955	2.3
95.08620	4.5
97.02869	0.6
97.04475	0.6
97.06522	0.8
98.48083	0.6
98.97575	1.7
99.04442	0.7
101.09666	1.1
102.10001	0.8
105.00089	0.8
105.07041	6.0
107.04946	1.7
107.08595	8.2
109.06520	3.4
109.10159	6.7
111.04468	0.8
111.08080	1.1
115.05466	1.0
117.07025	2.6
119.08586	9.0
120.81197	0.5
121.02999	0.6
121.06490	2.1
121.10150	15.0
123.08074	1.4
129.06996	0.7
130.07825	0.6
131.08508	1.2
133.06516	5.2
133.10233	1.0
135.08083	1.0
135.11705	1.6
137.09625	30.7
139.07603	0.6
140.03534	0.5
143.08549	1.3
145.10124	3.9
147.08054	2.6
149.02354	2.1
149.05948	0.7
158.99602	0.7
159.04446	0.7
159.11736	1.9
161.06003	6.6
161.09634	1.8
162.10460	0.6
163.03931	0.7
163.11203	6.2
165.09126	2.9
171.05562	0.8
172.08875	0.7
177.05438	1.6
179.10716	5.6
181.12248	1.5
183.98904	0.5
187.11136	1.4
205.04988	1.4
205.12219	6.5
206.09273	1.1
223.06062	2.3
223.13315	100.0
224.13649	2.0
225.04305	1.9
241.25690	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1331
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
51.02397	2.7
53.03953	52.6
55.01877	12.2
55.05513	16.4
56.96568	11.1
57.07072	3.6
59.05000	2.0
65.03938	4.6
67.05509	84.0
69.03445	5.0
69.07069	16.9
70.06587	2.1
71.04980	8.4
71.08619	3.6
71.55075	2.8
79.05499	50.7
81.03424	100.0
81.07063	99.5
83.04990	19.2
83.08617	8.1
85.02947	5.4
85.06530	6.0
91.05483	31.6
93.07052	58.3
95.04984	29.9
95.08614	61.6
95.09240	2.6
96.55878	2.0
97.06522	10.3
98.97578	7.5
99.04493	2.1
99.08137	5.3
103.05474	4.6
105.04534	2.9
105.06389	2.9
105.07041	24.8
107.04965	35.9
107.08610	29.5
109.02907	2.3
109.06522	13.8
109.10188	13.4
111.04455	3.8
111.08083	9.0
115.05457	2.7
116.98653	3.9
117.07003	16.8
119.04958	2.3
119.07809	1.9
119.08563	10.9
121.02895	3.4
121.06507	24.8
121.10152	16.4
123.04404	3.3
123.08085	34.5
123.11671	3.5
125.06035	4.8
125.09573	2.2
128.02332	2.0
131.04958	2.2
131.08569	19.9
133.06534	5.5
133.10147	6.1
135.08057	11.3
135.11687	24.8
137.09659	4.2
139.07558	6.0
139.11131	2.9
141.06940	9.5
143.08635	3.9
145.06482	20.4
145.10173	10.6
147.11687	3.0
149.02365	17.4
149.05969	3.0
149.09645	7.0
149.13260	8.2
153.09154	2.1
154.07774	3.2
156.13228	2.1
158.99599	4.9
159.08044	4.1
159.11679	19.4
162.03177	3.7
163.03903	8.6
163.11201	13.2
163.14839	4.0
165.09132	4.2
167.07066	8.5
167.08414	2.6
169.10121	8.0
177.00790	6.2
177.09183	2.0
177.12764	17.2
178.13130	3.4
181.09970	2.4
181.12245	22.8
187.11182	10.3
187.14764	2.7
195.01599	2.0
205.12273	9.1
205.15775	3.3
205.19470	2.4
208.03641	3.4
223.04225	4.9
223.06003	19.6
223.07558	2.0
223.11255	4.1
223.13251	28.3
223.16776	11.0
223.20683	2.7
225.04327	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	222.1128
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
53.03947	0.8
55.05507	1.3
56.96578	6.2
57.07072	0.8
61.77337	0.8
67.05511	1.7
67.37882	0.7
69.03419	2.0
70.06605	10.4
70.84386	1.1
70.84721	1.7
77.11526	0.7
79.05503	1.5
81.07085	1.3
84.08163	1.2
85.02908	2.2
91.05486	3.1
93.05737	0.9
93.07079	1.3
95.04926	1.2
97.02916	1.4
98.97606	9.1
104.55991	1.1
105.07052	3.4
107.08599	2.4
110.97580	1.2
111.08135	1.0
112.35886	0.7
116.07114	7.3
116.98640	4.1
117.05827	0.9
117.06996	1.7
118.06582	4.5
119.07332	2.1
119.08572	2.9
120.08114	1.0
121.06506	1.5
121.10159	1.3
127.07066	2.2
130.06529	2.7
131.06895	3.3
132.04457	1.8
132.08093	2.3
133.04779	2.3
134.09668	10.3
134.99683	1.4
143.04094	0.8
143.07414	0.9
144.08109	8.6
144.87009	0.7
145.08865	3.8
146.09682	1.8
147.10426	1.2
147.11678	1.6
148.05107	1.4
149.02386	1.2
149.05916	1.1
156.97549	3.8
158.05991	1.2
158.07947	2.5
158.99696	3.2
159.06410	7.0
160.11238	47.4
163.03920	1.2
165.05728	0.8
174.09186	27.2
174.98570	2.5
176.07137	5.3
176.09070	9.5
177.00720	3.3
177.05507	1.0
177.07820	2.1
189.12755	0.8
191.08623	1.1
192.10220	46.6
194.04425	1.1
198.98669	1.2
204.10304	5.1
210.07034	0.9
216.99979	1.9
217.03835	0.9
219.07976	1.5
222.07715	2.7
222.11288	100.0
223.06102	1.2
223.11464	1.0
223.13342	1.4
225.04373	1.7
235.01239	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.2
56.96567	21.8
57.07075	4.4
59.04992	2.8
60.95839	4.9
67.05486	3.0
69.07079	3.6
79.05482	4.0
79.33846	1.8
81.07047	5.1
83.04964	4.1
91.05469	4.1
92.53050	1.7
93.07051	3.7
94.04195	3.4
95.04947	7.7
95.08620	4.0
97.06471	1.9
97.14417	1.7
98.98505	1.7
105.07027	3.5
107.04995	2.1
107.08593	5.6
109.10131	2.1
111.01020	2.6
117.07053	2.5
119.08624	1.9
120.01512	6.7
121.06442	3.5
121.10120	3.3
125.00745	13.1
131.08533	3.7
134.01244	15.7
134.51598	1.8
135.08066	3.4
145.10147	2.8
147.04361	3.5
149.02380	15.4
150.52034	2.0
152.06235	3.4
154.01767	8.4
158.03030	3.0
163.02278	18.9
163.03738	3.9
163.11258	2.7
165.07030	3.0
167.03482	5.3
167.08528	2.2
172.02820	100.0
172.53020	9.9
173.13203	2.6
174.53044	2.8
177.06915	2.0
177.12776	2.0
179.03529	3.9
181.03351	83.9
181.53506	7.6
183.53636	31.1
184.03825	4.5
187.97273	2.3
192.54120	13.5
195.04529	2.7
195.08032	6.6
204.04970	2.6
208.85909	1.8
223.05966	8.3
223.07848	12.0
223.11258	3.5
223.13290	7.4
223.16940	4.8
225.04391	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	223.1329
Annotation	Dehydrovomifoliol
Peak:m/z	Relative Intensity
53.03968	0.8
55.01884	3.0
55.05516	4.1
56.96579	2.1
57.03449	0.7
57.07082	3.0
57.66227	0.6
59.05007	0.6
65.03960	0.8
67.05513	7.5
69.03438	1.4
69.07081	6.2
69.35314	4.7
71.05014	2.7
71.08638	5.2
71.38885	0.5
73.02927	1.6
79.05497	10.2
80.64027	0.6
81.03441	1.2
81.07063	11.9
83.04995	2.8
83.08635	1.5
84.96021	0.7
85.02927	0.7
85.06573	1.8
91.05484	5.1
91.69328	0.6
93.03413	0.9
93.07054	10.0
95.04979	4.4
95.08619	9.7
97.06538	7.9
97.10160	0.8
98.97619	1.2
98.98492	0.8
99.08115	2.9
101.02405	1.0
103.05484	0.8
105.03381	0.9
105.07042	4.4
107.04953	4.2
107.08614	6.8
109.06532	5.8
109.10184	3.6
111.04446	4.1
111.08102	1.9
116.98682	0.8
117.07013	1.5
119.08604	2.5
120.40757	0.6
121.02917	0.8
121.06513	20.2
121.10132	4.4
122.07336	1.2
123.04433	0.7
123.08070	3.7
123.11703	1.5
124.05213	5.2
125.06012	5.0
129.07088	0.6
131.08572	1.9
133.10158	1.0
135.04373	1.2
135.08087	2.1
135.11732	2.1
137.05974	1.1
137.09615	1.4
137.13243	0.7
139.07599	1.0
143.08629	0.7
145.06465	0.7
145.10139	3.6
147.08128	0.9
148.05203	0.6
149.01273	0.9
149.02344	4.5
149.06027	2.8
149.09619	1.9
149.13303	1.6
151.07501	0.7
153.05473	1.0
153.12805	2.2
158.52515	1.0
158.99675	0.9
159.11729	1.2
162.03076	0.9
163.03943	2.8
163.11229	4.8
163.14822	0.8
165.09087	0.7
167.07054	2.7
167.53024	0.7
177.00679	1.5
177.05598	0.9
177.12764	6.8
178.13515	1.2
179.14320	5.9
180.03494	1.1
181.12250	100.0
181.52904	1.3
182.12628	1.0
187.11198	0.8
189.03972	2.0
191.10716	2.2
191.54211	2.1
193.10164	0.7
194.94681	0.6
195.13782	3.9
200.54768	5.2
205.12273	5.0
205.15765	0.6
208.03671	0.8
223.04242	1.4
223.06058	5.7
223.13298	78.6
224.13631	1.4
225.04265	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	222.0015
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98594	0.3
64.72281	0.3
70.77153	0.5
70.77511	0.6
98.21109	0.4
101.00860	1.4
102.94354	0.3
106.58296	0.3
119.01931	1.8
120.95349	1.5
126.58429	0.3
138.96423	17.3
148.96072	0.3
156.97493	100.0
157.97559	1.9
158.97917	0.6
168.97493	0.3
174.98553	50.9
175.98691	0.8
176.96417	0.3
179.99088	2.9
180.97467	1.9
198.00185	0.9
198.98553	26.4
199.98804	0.5
216.99612	45.2
217.99724	0.8
222.00150	0.9
240.01160	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.75404	1.7
55.01856	3.4
55.05514	12.1
56.96571	18.4
57.07069	6.2
59.04748	2.2
59.05007	19.9
67.05499	17.7
69.03443	3.2
69.07072	15.7
71.04984	7.4
71.55000	2.7
77.22797	2.1
79.05486	12.0
81.07061	52.2
82.02163	2.1
83.01332	3.5
83.04987	2.3
83.08636	10.7
85.06548	3.1
91.05480	17.4
93.07050	23.1
95.04990	5.3
95.08614	57.9
97.06544	3.3
97.10161	3.4
98.97601	4.3
105.06387	3.2
105.07042	39.0
107.04968	2.2
107.08593	35.5
109.06506	6.6
109.10155	36.9
111.08064	6.5
116.98602	2.3
117.07014	2.8
119.04932	2.9
119.08586	56.0
121.06515	4.7
121.10155	28.3
123.08082	2.9
123.11720	10.1
125.09612	8.7
129.07005	4.9
130.06465	2.3
133.10139	30.7
134.99660	2.4
135.08118	2.2
135.11681	11.2
137.05952	2.7
137.09604	3.5
139.11165	13.0
145.10117	3.5
146.99660	2.3
147.08040	5.6
147.11687	40.3
149.13284	5.1
151.03879	3.6
151.07654	2.3
151.11166	10.6
157.06546	2.6
160.05191	2.4
161.05994	7.2
161.13261	38.4
163.14830	24.3
165.01764	2.1
165.09195	2.5
165.12753	2.3
167.03416	4.1
174.93805	4.1
174.99118	2.8
175.02805	7.5
175.07545	7.6
175.11224	2.4
175.14832	32.3
177.16388	6.4
179.03436	16.5
179.07062	11.6
192.94870	4.6
193.03772	2.2
193.08594	2.8
196.56480	2.1
203.07062	9.5
203.10701	2.4
203.14442	3.6
203.17955	100.0
206.16190	4.1
221.04437	7.5
221.08052	30.7
221.11557	3.9
221.15416	7.7
221.19009	82.0
234.77373	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.03419	1.4
53.03941	3.2
55.01861	1.9
55.05519	19.5
56.96555	2.1
57.03416	1.5
57.07089	7.6
58.07377	1.4
65.03955	3.2
67.05518	14.2
69.03425	2.3
69.07067	15.5
70.06595	4.7
71.04998	16.2
71.06380	2.8
79.05494	18.2
81.03413	2.4
81.07060	55.6
83.04996	2.9
83.08613	6.6
85.02894	1.7
85.06533	2.3
88.07640	2.0
89.07971	3.6
91.05477	18.0
93.06480	2.3
93.07050	37.4
93.07637	2.4
95.04960	4.1
95.07981	1.7
95.08605	35.3
97.06536	4.3
97.10179	3.5
98.97593	5.3
99.08083	3.7
105.07038	30.4
107.04967	1.8
107.08596	65.7
108.09077	1.3
109.06519	5.3
109.10158	24.8
110.07169	1.5
111.08095	5.6
114.90318	1.3
115.05470	2.2
117.07026	1.8
117.62958	1.4
119.01875	2.0
119.08587	43.1
119.87135	1.4
121.02854	3.8
121.06513	2.6
121.10149	13.3
123.04501	1.7
123.08089	3.9
123.11710	16.3
125.09631	2.1
127.11185	3.6
128.02319	2.6
129.07089	2.2
131.04930	1.6
131.08574	2.5
133.06509	2.0
133.10138	26.5
135.08073	2.7
135.11697	100.0
137.02794	1.7
137.05983	3.2
137.09630	5.2
137.13235	5.0
143.01941	1.9
145.10133	3.5
147.04405	1.6
147.08063	2.7
147.11693	22.8
149.02348	38.3
149.13257	5.9
150.57968	1.5
151.11220	5.0
158.99640	1.8
160.05183	1.6
160.12462	1.7
161.05931	3.0
161.09668	2.6
161.13260	15.4
163.14798	5.4
165.05409	1.6
165.09171	2.0
165.12820	2.5
167.03421	1.8
175.02855	1.7
175.04868	1.3
175.07562	4.4
175.08893	1.7
175.11223	1.8
175.14835	6.7
176.07581	1.7
177.14714	1.3
177.16301	2.0
179.10783	1.7
183.98410	1.4
184.44139	1.4
193.08597	1.3
193.56688	1.3
203.14398	3.8
203.17966	34.8
203.20799	2.3
206.05798	1.9
206.16235	1.7
221.04555	2.0
221.08109	12.9
221.11623	2.9
221.15396	8.3
221.17348	4.7
221.19032	40.0
221.22012	52.7
222.18657	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1903
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03951	2.6
55.01855	1.6
55.05262	1.2
55.05516	13.5
56.40966	0.6
56.96577	3.4
57.03440	2.0
57.07076	5.6
59.05010	1.4
65.03935	1.7
67.05513	16.3
69.03431	2.0
69.07074	14.7
70.85461	1.8
71.05000	19.8
73.06576	1.5
77.03944	0.8
79.05502	22.9
81.07064	69.9
83.05004	1.7
83.08627	7.4
85.06561	2.5
89.25026	0.7
91.05482	17.3
93.07051	52.5
95.05000	3.7
95.08614	36.7
97.06523	2.9
97.10175	2.5
98.60139	0.7
98.97581	3.2
99.08104	4.3
103.05495	0.9
105.04530	0.8
105.07041	38.4
107.04949	1.5
107.08603	68.4
108.08917	0.9
109.06544	4.1
109.10167	31.6
111.08122	4.3
111.11740	2.3
113.09663	2.4
115.05480	1.4
116.98644	2.8
117.07037	2.3
119.08591	52.7
121.06509	2.3
121.10154	14.0
123.04372	0.7
123.08083	7.1
123.11717	16.9
125.09666	2.9
127.11182	4.5
127.50972	0.7
129.07019	1.5
131.08571	2.7
132.04430	0.7
133.06490	1.8
133.09137	1.5
133.10141	30.2
135.08080	1.7
135.11705	100.0
137.05928	1.5
137.09621	4.9
137.13258	3.5
139.07561	0.8
143.08577	0.9
145.10146	3.0
147.04417	1.6
147.08061	2.6
147.11697	26.7
149.09630	1.3
149.13257	11.1
151.07535	1.6
151.11186	4.6
157.10262	0.8
158.06062	0.8
159.11684	2.2
161.05956	2.4
161.09634	2.9
161.13269	20.6
163.03810	0.8
163.07550	0.8
163.11214	1.2
163.14847	6.1
165.05511	1.1
165.09103	1.5
165.12744	3.1
175.02756	0.9
175.08760	1.4
175.11209	1.6
175.14813	6.2
177.12770	5.0
177.16354	3.3
179.03337	0.7
179.10719	1.2
179.14272	0.7
185.13261	2.3
189.05394	0.8
190.06293	0.7
192.94867	1.2
193.08641	1.8
193.15918	3.2
193.43701	0.7
203.03276	0.7
203.07065	1.1
203.10666	1.6
203.14415	4.4
203.17975	42.7
204.18324	1.1
206.10834	1.6
206.16257	0.9
220.05518	0.8
221.04440	2.1
221.08025	3.7
221.11708	2.1
221.13399	1.4
221.15642	9.2
221.19016	54.0
222.19273	1.4
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
55.05506	10.7
57.07068	7.4
59.05006	2.9
67.05512	22.6
69.07070	28.0
71.03944	4.5
71.04996	2.9
79.05503	10.2
81.07065	50.3
83.04980	2.7
83.08624	10.5
85.06532	3.4
91.05489	13.6
93.07059	23.1
95.08614	67.7
97.06511	4.7
97.10154	5.2
105.07046	44.4
107.08607	45.8
109.06496	3.6
109.10171	52.2
111.08073	8.8
111.11746	2.4
119.08588	46.1
121.10154	27.3
123.11724	23.7
125.09607	3.8
133.10144	34.6
135.11691	13.5
137.13274	4.5
139.11139	2.2
145.10135	3.7
147.11700	55.0
149.13211	10.6
151.11227	4.7
161.13266	29.3
163.14832	15.4
165.12807	10.3
173.14352	2.3
175.14847	16.3
177.16463	5.9
203.17981	100.0
221.19023	74.2
238.05602	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03937	2.4
54.22347	1.1
55.05512	13.6
56.96565	2.3
57.07064	4.5
66.91870	1.1
67.05508	10.7
69.07072	11.2
70.73589	2.7
71.04999	15.9
79.05495	15.7
81.07066	55.4
83.04980	3.4
83.08630	6.6
85.06553	1.3
91.05482	11.9
93.06480	2.1
93.07050	37.9
95.04958	2.2
95.08060	1.7
95.08620	27.0
97.06527	1.8
97.10147	3.2
99.08101	6.0
101.00897	1.9
105.07037	22.0
107.08601	68.8
109.06493	1.5
109.10158	21.0
111.08048	2.0
119.01929	2.1
119.04953	1.4
119.08591	36.0
121.06513	1.3
121.10139	10.9
123.08074	2.9
123.11715	18.6
125.09604	1.5
127.11167	4.9
131.01959	1.7
131.08549	2.0
133.10144	26.5
135.11700	100.0
136.11971	1.4
136.57162	1.1
137.05959	1.2
137.09621	3.6
137.13307	3.6
139.11139	2.3
143.01906	2.6
145.10143	2.5
147.04402	6.6
147.11691	16.5
149.02377	1.3
149.13280	5.6
151.11195	5.1
157.01682	1.5
159.11667	1.6
161.02960	3.0
161.13293	14.7
163.14830	4.5
165.12740	3.3
175.02820	3.0
175.11104	1.4
175.14815	4.0
177.16379	1.3
203.17967	32.5
205.15616	1.1
221.04353	1.9
221.15598	2.4
221.19000	37.8
223.52518	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	4-NONYLPHENOL
Peak:m/z	Relative Intensity
53.33153	1.0
55.01875	3.5
55.05514	4.9
56.96577	1.1
57.07076	2.1
59.05001	1.9
62.61552	1.0
67.05515	10.2
68.99821	1.0
69.07072	9.3
69.84811	5.5
71.04997	2.6
79.01868	1.5
79.05504	5.9
81.03429	2.1
81.07066	18.8
83.08616	2.7
90.17689	0.9
91.05501	6.6
93.07055	14.5
95.08611	36.8
97.02903	2.2
97.06532	2.7
98.21555	1.3
98.97621	1.3
99.00789	1.3
105.06401	0.7
105.07041	22.4
107.08602	22.8
109.06499	1.8
109.10162	25.1
111.08086	2.4
119.08591	52.8
121.10142	12.4
123.11704	6.8
133.10135	21.5
135.11688	3.7
137.02316	3.5
137.09595	1.9
137.13324	1.2
141.01859	1.3
147.11697	27.0
149.13242	3.0
151.11217	1.6
161.13283	13.8
163.14853	8.2
165.01851	100.0
165.12794	1.1
166.02205	1.2
175.14844	19.5
177.16351	1.5
183.02907	38.6
203.17964	54.0
221.05981	1.8
221.08098	30.9
221.11514	1.4
221.15601	1.4
221.19006	17.8
222.08592	1.1
231.86377	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.18975	1.5
53.03933	2.3
55.05514	18.5
56.96561	4.6
57.03457	3.2
57.07083	12.0
59.05004	2.7
63.70106	1.4
67.05511	26.0
69.03429	2.4
69.07076	24.6
71.04994	3.7
71.25005	2.8
73.06561	5.1
73.98024	1.5
76.29737	1.5
79.05511	11.8
81.07069	45.6
83.04955	2.1
83.08633	11.6
85.06574	2.6
91.05495	7.0
93.07058	23.7
95.08617	77.6
95.93297	2.0
96.95224	1.6
97.06548	19.1
97.10174	9.9
99.08066	2.3
105.07042	33.5
105.07699	3.2
107.04974	2.3
107.08607	40.9
109.06522	4.8
109.10170	77.4
111.08089	20.4
111.11725	4.0
117.07027	2.1
119.08595	47.7
121.10152	21.8
123.08080	5.1
123.11710	20.1
125.09656	4.7
127.11170	2.3
133.09148	1.9
133.10133	34.6
135.11710	16.6
137.09618	9.0
137.13277	10.6
145.10162	1.8
147.11714	40.1
149.13257	10.6
151.11174	4.6
153.12703	1.7
160.12578	2.1
161.13281	27.2
163.14850	21.5
165.01833	2.3
165.12737	8.2
174.93964	1.5
175.14835	13.1
177.16382	4.3
179.04492	1.5
181.54727	4.1
203.17978	81.2
206.16278	1.7
210.93839	1.6
221.04491	2.4
221.11691	2.0
221.15475	3.1
221.19028	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03939	1.4
55.05505	7.6
57.07062	3.5
65.83694	1.2
67.05505	14.3
69.07066	11.7
69.18687	12.1
71.05000	5.5
71.97424	1.0
79.05502	10.7
81.07066	34.4
83.04983	2.0
83.08621	5.5
91.05472	11.2
93.07053	21.0
95.04962	1.1
95.08614	56.5
97.06522	2.9
97.10177	2.5
105.07039	34.9
107.04932	1.1
107.08599	43.4
109.06510	2.7
109.10165	37.5
111.08081	3.7
119.08589	90.8
121.09336	1.4
121.10155	20.2
123.08157	1.2
123.11717	12.3
125.09657	1.8
131.08514	1.9
132.47002	1.1
133.10141	33.3
135.08023	1.3
135.11725	8.3
137.09630	2.6
139.83327	1.1
144.71655	1.1
147.10503	2.5
147.11694	52.3
149.13231	3.9
151.11220	2.0
161.13266	22.5
163.14824	15.0
165.09085	2.0
165.12740	2.4
175.14835	32.1
177.16394	3.1
184.41338	1.1
203.17970	100.0
204.18228	1.7
221.07808	1.7
221.15561	2.0
221.19017	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	221.1902
Annotation	4-NONYLPHENOL
Peak:m/z	Relative Intensity
53.03921	1.9
55.05518	11.0
56.96566	6.3
57.07069	6.8
59.05003	4.7
62.61843	1.9
64.14072	1.6
65.03936	2.4
65.43565	1.5
67.05513	25.2
69.03425	2.6
69.07081	13.1
70.03805	8.7
71.04996	2.1
71.08630	1.6
79.05504	13.1
81.07062	43.8
83.04971	2.5
83.08649	8.8
87.46724	1.8
91.05491	18.2
93.07047	24.4
95.04982	6.9
95.08611	58.7
97.06556	9.6
97.10133	2.6
97.80863	1.7
98.20847	3.6
98.97578	3.7
105.07047	38.1
105.07698	3.8
107.08611	39.0
109.06541	5.0
109.10162	37.5
111.08091	5.6
116.98626	3.5
119.08602	33.1
121.10163	27.9
123.11713	13.4
125.40211	1.7
125.70691	1.7
133.10147	63.7
135.11717	7.1
137.05984	6.6
137.09563	2.1
147.04404	2.6
147.11710	44.3
149.13248	3.4
151.11140	2.9
161.13257	19.3
163.14825	6.1
165.05594	2.9
165.07018	51.9
165.12755	3.1
174.93869	4.2
175.14847	31.8
175.16293	2.8
177.16495	2.1
193.06593	7.4
203.17975	76.8
206.16226	2.8
221.06010	100.0
221.13312	2.6
221.15393	36.0
221.19011	39.2
222.06248	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	221.1902
Annotation	4-NONYLPHENOL
Peak:m/z	Relative Intensity
53.00317	3.3
53.03949	4.5
53.04587	3.0
53.92664	3.3
54.57429	2.8
55.01868	6.7
55.05519	20.8
56.54858	3.0
56.96568	13.7
57.03451	4.1
57.07077	11.0
59.02375	2.9
59.05008	3.9
62.98303	3.0
67.05519	33.0
69.03455	3.5
69.07070	27.5
69.76386	13.2
69.76807	5.7
71.04973	3.6
71.08650	3.7
76.54736	3.7
79.05503	24.5
81.07072	68.6
83.08621	9.6
85.02969	3.4
91.05484	25.3
93.07057	35.6
95.04974	8.6
95.08054	6.2
95.08617	80.9
97.06532	15.2
97.10169	6.1
98.97604	4.6
105.07040	59.7
107.04977	4.3
107.08607	75.3
109.06506	8.1
109.10173	58.5
111.08081	9.2
116.98645	5.3
119.08591	60.4
121.06554	7.0
121.10145	40.6
123.08084	5.2
123.11710	17.6
128.06213	4.1
129.07030	17.2
130.06506	4.0
133.06499	9.9
133.10139	92.1
133.11096	6.5
135.08049	6.1
135.11714	11.2
137.06001	10.8
137.09644	4.3
137.13295	4.7
139.11206	5.6
147.08095	4.2
147.11696	71.5
149.13232	5.1
151.03842	4.1
151.11244	6.4
158.78899	3.9
161.05994	41.8
161.09624	8.2
161.13272	30.5
163.14803	16.5
165.05516	7.6
165.09143	4.1
165.12814	7.1
174.93822	4.7
175.07574	7.0
175.11266	5.0
175.14847	46.0
179.03467	5.5
179.10724	8.2
193.04985	3.7
196.58075	3.8
203.07056	15.2
203.10689	4.3
203.17982	100.0
206.10977	4.7
206.16264	4.1
221.04379	8.0
221.06206	4.8
221.08110	21.7
221.11464	17.1
221.15308	20.4
221.19023	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.01858	1.4
55.05275	1.0
55.05516	12.4
56.96336	1.0
56.96570	11.6
57.03434	1.4
57.07081	5.2
59.04985	2.9
65.03928	1.9
67.05176	1.5
67.05508	21.6
69.03435	1.6
69.07072	17.0
69.37742	3.1
69.38156	4.3
71.04998	4.8
71.08643	1.9
79.05500	14.0
81.07064	41.2
83.04982	4.9
83.08619	9.7
84.08114	0.8
85.06541	1.6
91.05483	14.2
92.56078	1.1
93.07053	25.4
95.04971	2.6
95.08612	64.9
97.02861	1.0
97.06532	8.7
97.10172	4.6
98.97583	8.1
99.08086	1.4
99.56921	1.0
105.03426	1.4
105.07036	49.9
107.04961	1.7
107.08602	45.0
109.06506	3.5
109.10164	44.4
109.10926	1.4
111.08086	9.0
111.11723	1.7
116.98616	4.4
117.07024	3.2
119.04964	1.2
119.08587	89.6
121.06490	2.0
121.10152	28.9
123.08073	5.8
123.11712	16.9
123.73212	0.9
125.09638	3.4
128.06210	1.1
129.06990	1.6
131.08559	2.3
133.06479	2.1
133.10141	44.1
134.54628	1.0
135.08012	1.4
135.11699	10.8
137.06015	1.3
137.09595	3.8
137.13293	4.5
143.08591	1.6
145.10147	3.5
147.04488	1.7
147.08116	2.0
147.11696	52.6
149.13264	9.1
151.07565	1.9
151.11162	3.4
151.14830	1.2
157.10129	1.8
158.99702	1.2
159.11731	1.5
160.12407	1.2
161.05994	3.4
161.09612	3.1
161.13274	30.7
161.14612	1.6
163.11195	1.2
163.12639	1.0
163.14842	15.9
165.09187	1.3
165.12726	4.8
174.05476	1.7
174.93770	1.2
174.99109	1.0
175.02785	1.2
175.11096	1.5
175.14839	23.3
177.00731	2.2
177.16438	4.0
179.10670	1.5
182.11380	1.2
185.11852	1.2
185.13307	1.3
192.94928	2.1
193.15912	1.7
203.17970	100.0
204.18346	1.4
206.16261	2.3
221.04465	4.4
221.07985	2.2
221.11720	2.2
221.15645	9.0
221.19025	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03930	1.3
55.05505	7.2
55.96864	1.1
56.96572	1.0
57.07069	1.8
59.05012	1.1
64.45209	0.9
67.05508	14.3
69.07072	11.6
71.05000	6.2
79.05495	8.0
81.07060	31.8
83.08614	6.5
91.05483	12.7
93.07047	21.8
93.58437	1.0
95.08608	60.9
97.06550	3.1
97.10150	1.4
105.07033	47.1
107.08599	40.6
109.06513	1.9
109.10159	39.8
111.08102	2.8
119.08585	97.5
121.10153	22.5
123.08031	1.3
123.11720	12.1
125.09644	2.1
131.08553	1.2
133.10132	34.5
135.11702	6.8
147.04472	1.1
147.11697	53.5
149.02319	2.3
149.13261	4.4
151.11203	1.5
159.11639	1.5
161.13263	26.5
162.14095	1.1
163.14810	14.1
165.12723	2.2
168.21269	0.8
173.03618	1.1
175.14832	32.6
177.16492	1.4
190.04568	1.1
194.04008	1.2
199.05183	1.5
203.07056	3.4
203.17960	100.0
204.18243	1.8
209.73204	0.9
221.07976	1.5
221.19008	31.9
229.00323	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05504	4.6
56.36273	0.9
56.96550	4.2
57.03427	1.1
57.07068	2.0
59.04992	2.8
67.05508	14.5
69.07069	8.4
69.98310	2.1
69.98696	1.5
70.78251	0.9
71.04989	1.7
79.05495	7.8
81.07063	24.4
83.05010	1.0
83.08617	2.8
87.76906	0.9
91.05483	9.3
93.07047	14.5
95.04964	1.0
95.08612	37.9
97.06564	1.7
97.10143	1.3
98.97601	2.4
105.07033	24.0
107.08592	24.6
109.06544	2.2
109.10165	27.9
111.08090	2.4
119.08589	20.2
121.06513	1.8
121.10141	18.4
123.08088	1.0
123.11737	6.0
125.12305	0.9
130.47319	1.0
133.06491	1.0
133.10133	16.5
135.11688	6.5
137.05960	2.5
143.05045	1.0
147.04405	1.6
147.10516	1.6
147.11697	30.8
149.02399	1.1
149.13274	3.7
153.09131	1.1
158.05966	1.2
159.11690	1.1
161.05997	1.4
161.09636	1.6
161.13275	13.7
163.14902	4.4
165.12733	6.2
175.02774	1.7
175.14844	8.6
177.16298	4.6
192.94872	1.2
193.03830	1.2
203.17963	100.0
204.18362	1.8
206.16370	1.0
221.04573	1.7
221.07953	1.3
221.11708	2.3
221.15398	2.7
221.19035	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.26724	1.5
51.71188	1.4
53.03952	2.0
55.01878	2.4
55.05516	18.2
56.96568	9.7
57.07084	14.4
59.05007	4.1
65.11800	1.4
67.05511	26.3
69.03428	2.1
69.07072	35.0
69.40646	9.8
69.41065	3.6
71.04993	6.4
73.52699	1.7
79.05496	16.2
81.03415	1.6
81.06583	3.4
81.07063	62.5
81.57415	1.4
83.04986	5.8
83.08626	13.9
85.02908	5.2
85.06547	7.3
90.83659	1.4
91.05474	15.0
93.07056	32.6
95.04982	3.3
95.08615	80.0
97.06548	7.4
97.10187	4.4
98.97617	3.6
99.08102	2.8
105.07037	72.0
107.02176	1.5
107.08602	67.0
109.06525	10.3
109.10168	59.7
109.10931	2.4
111.08095	17.4
111.11708	2.3
116.50999	1.5
116.98622	1.8
117.07020	3.5
119.08593	63.6
121.06522	3.9
121.10157	33.2
123.08081	13.0
123.11723	27.3
125.09643	7.1
131.08574	2.4
133.10144	46.6
135.11684	15.9
137.09630	7.0
137.13268	6.8
139.11223	2.1
142.49394	1.5
145.10139	6.7
147.04408	2.1
147.08060	2.4
147.11700	85.6
149.13297	11.7
151.07585	10.0
151.11176	8.7
157.10159	2.1
159.11736	3.3
161.09557	2.1
161.13266	54.6
163.11179	2.3
163.14821	24.3
165.01826	12.5
165.05647	2.5
165.07013	56.2
165.09146	3.0
165.12808	10.0
168.26393	1.6
175.07567	1.8
175.14862	15.7
177.16417	2.7
179.03630	1.6
179.14349	6.0
183.02853	7.3
192.94875	2.1
193.06583	5.8
203.17976	76.6
206.16167	2.2
221.06030	100.0
221.08060	8.6
221.11816	3.2
221.13461	2.6
221.15456	55.9
221.19009	82.2
222.06337	2.4
222.15681	1.7
243.09715	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17865	1.3
53.03954	2.9
54.41507	1.1
55.01878	3.3
55.05514	12.0
56.96559	2.3
57.03190	1.4
57.03443	17.3
57.07066	2.1
65.03954	2.2
67.05507	21.9
69.03450	1.2
69.07072	12.9
70.66969	3.6
71.05003	25.5
79.05498	35.3
81.03400	1.4
81.07065	37.3
83.04982	4.6
83.08623	3.2
85.02893	2.7
85.06550	4.5
87.04470	1.5
91.05487	44.1
93.07050	49.4
95.04960	5.0
95.08611	22.7
97.02883	1.5
97.06534	9.4
99.04451	2.5
99.08085	2.1
101.06066	1.3
105.07037	46.4
107.04965	4.0
107.08601	36.2
107.09306	2.4
109.06524	9.5
109.10150	10.2
111.08097	3.1
113.06039	1.8
115.05468	1.7
117.07038	8.6
118.06540	6.2
119.04965	1.2
119.06884	5.6
119.08590	55.3
121.06515	4.0
121.10136	15.4
122.11790	1.1
123.08079	12.5
125.05962	2.5
125.09645	2.2
128.06177	3.2
129.07028	11.5
131.08566	24.9
131.09529	1.9
133.06497	4.0
133.10144	27.6
135.08058	11.2
135.11679	2.6
137.06004	2.6
137.09616	16.0
139.07547	2.0
142.07787	1.9
143.08583	14.1
145.10143	3.2
147.08063	8.9
147.09969	1.5
147.11702	16.0
149.02353	5.9
149.09627	20.1
151.07576	2.3
151.11188	9.0
153.09157	1.5
156.09326	1.3
157.10182	7.3
159.11708	16.5
161.05954	1.5
161.09650	8.4
161.13269	82.4
162.13556	2.8
163.09511	4.3
163.11194	2.2
165.09143	4.0
165.12779	7.1
175.07512	2.2
175.11252	7.5
175.14845	18.8
176.14395	3.5
177.00677	1.6
177.11148	2.5
177.14703	22.8
179.10634	1.8
185.13274	43.5
191.12653	2.6
203.10596	2.1
203.14345	46.1
203.16086	1.6
221.04529	1.5
221.07986	1.7
221.15363	56.7
221.17342	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	3.0
53.03939	6.2
55.01866	11.1
55.05509	24.8
56.96548	6.8
57.03193	3.1
57.03443	43.2
57.07067	3.5
67.05509	38.5
69.03426	5.9
69.07070	18.8
69.40327	19.5
71.04996	82.7
72.44545	2.3
79.05065	3.9
79.05499	60.9
81.07060	68.2
83.05031	5.6
83.08614	9.2
84.84152	2.1
85.05166	2.2
85.06555	12.1
91.05484	70.5
93.06479	4.9
93.07047	76.4
95.04951	13.7
95.08612	47.2
97.02908	5.4
97.06519	17.9
98.97584	9.3
99.08100	5.9
101.06040	2.5
103.05462	3.8
105.07041	83.4
107.04954	8.0
107.08598	63.7
109.06520	23.2
109.10164	19.9
111.08076	6.8
113.06017	5.1
115.05406	5.0
117.07004	17.5
118.06554	4.9
119.05003	2.9
119.06889	3.8
119.08586	94.4
121.06493	6.8
121.10150	28.2
123.08060	22.3
123.11711	5.4
125.09653	6.1
128.02338	5.8
128.06233	4.4
129.07013	15.9
130.27539	2.2
130.28519	2.7
131.08571	43.5
133.06514	7.1
133.10132	54.9
135.08057	34.4
135.11679	17.8
137.06017	3.7
137.09624	45.2
142.07793	3.2
143.08566	14.8
145.06503	2.9
145.10139	6.1
147.04437	4.1
147.08026	15.5
147.11700	33.1
149.09625	41.6
150.82524	2.5
151.07497	3.8
151.11176	27.2
157.10120	14.6
157.93098	2.2
159.11716	19.9
161.09624	8.9
161.13252	100.0
163.07501	2.8
165.05554	2.6
165.06931	3.0
165.09152	5.0
165.12764	11.1
175.03975	3.6
175.11124	12.6
175.14836	24.1
176.14394	6.5
177.00769	3.2
177.09203	4.6
177.11176	2.6
177.14711	22.0
178.06108	2.6
179.10768	5.4
185.13264	70.2
190.06252	5.7
193.08615	6.4
203.14340	70.0
203.17943	4.2
212.86087	2.6
216.92909	2.7
221.08069	9.2
221.11952	5.1
221.15350	93.8
221.17340	87.5
221.18896	3.5
221.19432	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	221.1538
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
51.17865	1.3
53.03954	2.9
54.41507	1.1
55.01878	3.3
55.05514	12.0
56.96559	2.3
57.03190	1.4
57.03443	17.3
57.07066	2.1
65.03954	2.2
67.05507	21.9
69.03450	1.2
69.07072	12.9
70.66969	3.6
71.05003	25.5
79.05498	35.3
81.03400	1.4
81.07065	37.3
83.04982	4.6
83.08623	3.2
85.02893	2.7
85.06550	4.5
87.04470	1.5
91.05487	44.1
93.07050	49.4
95.04960	5.0
95.08611	22.7
97.02883	1.5
97.06534	9.4
99.04451	2.5
99.08085	2.1
101.06066	1.3
105.07037	46.4
107.04965	4.0
107.08601	36.2
107.09306	2.4
109.06524	9.5
109.10150	10.2
111.08097	3.1
113.06039	1.8
115.05468	1.7
117.07038	8.6
118.06540	6.2
119.04965	1.2
119.06884	5.6
119.08590	55.3
121.06515	4.0
121.10136	15.4
122.11790	1.1
123.08079	12.5
125.05962	2.5
125.09645	2.2
128.06177	3.2
129.07028	11.5
131.08566	24.9
131.09529	1.9
133.06497	4.0
133.10144	27.6
135.08058	11.2
135.11679	2.6
137.06004	2.6
137.09616	16.0
139.07547	2.0
142.07787	1.9
143.08583	14.1
145.10143	3.2
147.08063	8.9
147.09969	1.5
147.11702	16.0
149.02353	5.9
149.09627	20.1
151.07576	2.3
151.11188	9.0
153.09157	1.5
156.09326	1.3
157.10182	7.3
159.11708	16.5
161.05954	1.5
161.09650	8.4
161.13269	82.4
162.13556	2.8
163.09511	4.3
163.11194	2.2
165.09143	4.0
165.12779	7.1
175.07512	2.2
175.11252	7.5
175.14845	18.8
176.14395	3.5
177.00677	1.6
177.11148	2.5
177.14703	22.8
179.10634	1.8
185.13274	43.5
191.12653	2.6
203.10596	2.1
203.14345	46.1
203.16086	1.6
221.04529	1.5
221.07986	1.7
221.15363	56.7
221.17342	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
54.33123	0.5
69.19717	5.6
70.06590	1.0
81.13890	0.6
82.02934	1.7
94.06575	3.5
95.80160	0.6
115.05442	1.0
116.07064	0.9
120.08113	0.9
130.06546	56.5
132.04469	41.8
132.05241	0.6
147.09187	1.3
148.07588	0.7
156.06821	0.8
157.07635	22.9
158.06033	73.1
159.06364	1.1
162.05482	0.7
173.65363	0.6
175.08690	100.0
176.07077	1.9
176.08983	1.3
186.05505	2.3
203.08136	1.2
204.06607	4.5
221.09244	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	221.1538
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03928	4.3
55.01859	5.9
55.05509	18.6
56.96569	6.6
57.03439	12.9
57.07066	4.6
59.04989	1.8
65.03919	2.9
67.05176	1.9
67.05509	33.0
67.19902	1.5
69.03416	4.3
69.07074	21.6
70.94493	2.6
71.04997	35.4
73.06593	1.6
79.05498	42.0
79.15648	1.4
80.73653	1.2
81.03408	2.6
81.07063	63.3
83.04984	7.4
83.08631	8.6
85.02903	2.8
85.06551	7.3
91.04904	1.9
91.05486	50.3
93.07050	61.1
95.04978	7.3
95.08611	39.7
97.06539	9.3
97.10127	3.0
98.97596	3.2
99.04429	2.0
99.08096	4.3
101.06002	1.5
103.05476	3.0
105.07039	64.0
107.04970	6.2
107.08602	57.1
109.06512	10.1
109.10172	22.1
111.04500	1.5
111.08080	7.3
113.05994	1.5
115.05444	3.3
116.98646	1.5
117.07014	11.0
119.01928	1.8
119.04948	1.2
119.08589	70.9
121.06508	7.6
121.10152	24.0
123.04408	1.4
123.08090	13.5
123.11723	7.7
125.09628	3.5
127.07587	1.4
127.11172	2.4
128.06230	3.5
129.07011	14.4
130.06517	2.9
131.07726	1.7
131.08588	17.8
133.06529	7.1
133.10135	42.2
135.08058	15.0
135.11693	23.1
137.05980	6.1
137.09622	16.5
139.07549	1.6
139.11194	1.5
142.07797	2.3
143.08571	13.3
145.06602	1.6
145.10170	6.4
147.04410	2.7
147.08058	11.6
147.11702	24.7
149.02335	14.2
149.09627	14.5
149.13257	4.4
151.03900	4.2
151.07568	2.9
151.11194	13.6
153.09108	3.2
153.12706	1.4
157.10132	9.5
158.06000	2.6
159.11708	13.1
160.12318	1.8
161.05994	5.4
161.09685	11.2
161.13269	100.0
163.03914	1.3
163.11188	2.9
163.14871	2.9
165.05513	1.9
165.07014	2.6
165.09140	8.5
165.12811	6.0
170.10902	1.9
173.13261	2.0
175.02759	2.6
175.07408	2.1
175.08795	2.6
175.11177	11.1
175.14848	20.2
176.07361	3.6
177.16397	2.5
179.10634	3.8
179.14381	2.3
185.13274	39.7
189.05539	2.0
191.06905	1.6
191.09735	5.0
203.07019	2.3
203.10622	2.2
203.12419	2.7
203.14330	43.1
203.17949	12.6
206.05666	1.4
206.10849	3.7
206.16362	1.9
221.04477	4.3
221.08076	7.4
221.11612	5.5
221.15376	79.3
221.18985	14.4
221.22011	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	221.0924
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
51.08341	0.5
63.36209	0.5
69.72068	1.6
69.72500	2.2
74.02429	1.5
82.02945	1.9
86.76780	0.6
94.06593	3.0
98.21023	1.9
98.97584	0.8
103.05438	0.9
104.05000	0.7
120.08100	0.8
129.05768	0.6
130.06540	69.9
131.05849	0.6
132.04466	41.2
133.04846	0.8
147.09161	0.8
148.07603	3.2
157.07631	36.0
158.06026	78.3
159.06310	1.1
167.53377	0.6
167.67464	0.7
175.08685	100.0
176.07092	1.9
176.08961	0.9
185.07236	0.7
186.05542	1.9
203.08168	14.5
204.06528	3.3
221.09235	20.3
242.03726	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.2
53.03948	0.5
55.01876	2.0
55.05505	0.4
56.96288	0.1
56.96564	0.6
57.07059	0.5
59.05001	1.1
65.03936	0.3
67.01875	0.4
67.05510	0.4
68.99775	1.3
69.03442	1.1
69.07069	0.3
71.55635	0.2
73.27687	0.1
79.01863	1.3
79.05481	0.2
81.03423	2.8
81.06636	0.1
81.07041	0.9
83.08614	0.2
85.02902	0.4
89.47853	0.1
91.05470	0.3
92.99774	1.4
93.07049	0.5
95.01360	0.2
95.08610	0.9
95.28090	0.2
97.02889	2.1
98.97578	0.4
99.00819	1.9
99.08106	0.2
105.07028	0.7
107.08598	0.8
109.02926	0.8
109.03576	0.2
109.06548	0.3
109.10157	0.7
111.00784	0.2
111.08109	0.2
116.98604	0.3
119.08612	1.2
121.06520	0.3
121.10130	0.4
123.00814	0.4
123.11707	0.3
133.10139	0.6
135.11670	0.5
137.02336	3.3
137.06010	0.2
141.01816	1.2
147.00769	0.4
147.11674	0.5
149.02301	0.2
153.01863	1.4
155.03395	0.6
161.09546	0.3
161.13295	0.4
163.14894	0.2
165.01845	100.0
166.02180	1.2
174.93810	0.2
174.99181	0.1
175.08868	0.2
175.11221	0.3
175.14822	0.2
179.03421	0.5
183.02899	59.5
184.03265	0.8
192.94928	0.3
197.04485	0.4
203.14227	0.2
203.17969	1.1
206.04330	0.2
206.16211	0.3
221.08099	33.7
221.18895	0.7
222.08501	0.8
239.09109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.6
57.07083	6.6
59.05005	3.8
67.05513	6.6
69.07080	4.2
70.02958	7.4
70.06602	1.9
70.44722	1.6
71.01365	1.2
71.04998	0.9
72.04526	18.7
72.08146	2.8
73.02929	4.2
74.02424	2.2
79.05478	1.2
81.07054	2.1
83.04955	0.9
84.08145	5.3
85.06548	11.8
86.06065	2.9
86.09698	2.6
87.04482	7.1
87.08115	1.6
90.05563	100.0
95.04981	7.5
96.08138	2.0
98.02425	18.5
98.06061	7.4
100.03967	2.7
101.06110	0.8
103.03989	1.2
103.07600	7.6
113.06020	2.4
116.03451	13.0
124.07608	19.5
131.07037	0.9
132.04494	1.0
140.10724	10.0
142.08646	9.1
156.10231	1.4
158.06039	1.1
158.11783	35.2
160.03246	1.7
160.09709	2.7
166.08626	2.8
174.11307	2.0
184.09712	21.4
202.10762	28.3
202.14391	3.0
205.15863	2.2
220.11819	30.3
220.15465	2.6
220.17818	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1699
Annotation	Fabianine
Peak:m/z	Relative Intensity
51.19913	0.1
65.46288	0.1
67.05508	0.2
69.07082	0.2
70.09530	0.4
70.09923	0.3
70.90981	0.1
71.05008	0.3
79.05502	0.5
81.07057	0.6
91.05483	0.7
93.07074	0.9
95.08609	0.3
105.07029	0.9
107.08612	0.4
110.38419	0.2
112.27975	0.1
115.95401	0.2
117.05728	0.2
118.06551	10.1
119.07357	0.4
119.08559	0.8
121.10159	0.3
123.08076	0.2
124.52044	0.2
131.08604	0.3
132.08098	3.0
132.09007	0.3
133.08882	1.3
133.10074	0.4
134.09644	0.7
137.09616	0.3
143.08630	0.2
144.08095	0.3
146.09641	3.0
147.10478	0.3
149.09624	0.4
153.05692	0.1
159.11815	0.3
160.11229	0.6
161.12102	0.2
161.13271	0.9
162.09155	6.0
163.09802	0.2
174.09238	0.2
175.07176	0.3
175.14700	0.2
176.10793	3.7
176.14363	27.0
177.11505	1.8
177.14702	0.3
178.12207	0.2
185.13287	0.8
190.09557	0.2
190.12288	2.8
191.12985	0.3
202.15907	1.0
203.14386	0.8
204.13686	0.2
220.16980	100.0
221.15364	0.8
221.17313	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1181
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01868	1.0
55.05515	1.7
57.07079	6.2
59.05009	3.8
67.05514	5.2
69.07067	6.0
70.02966	5.8
70.82470	2.4
72.04525	15.0
72.08150	1.1
73.02922	4.1
74.02460	0.8
74.31283	0.6
81.07066	1.5
83.05005	1.3
84.08144	2.3
85.06554	9.4
86.06077	0.9
86.09724	2.0
87.04465	2.3
87.08112	1.5
90.05563	100.0
95.04980	5.1
96.08144	1.3
98.02422	16.7
98.06072	2.8
100.03975	2.2
103.07590	7.8
113.06035	2.6
116.03465	14.6
124.07604	19.1
132.37418	0.7
140.10643	3.5
142.08633	8.3
156.10222	0.9
158.11783	18.2
160.09695	2.4
166.08623	2.3
174.11255	3.1
180.36591	0.8
182.63376	0.8
184.09714	19.4
202.10762	27.8
205.16153	0.9
220.11813	27.4
220.15282	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.097
Annotation	(2S,3R)-2-Hydroxy-3-(indol-3-yl)butanoate
Peak:m/z	Relative Intensity
53.03948	1.6
55.05502	2.3
56.05026	1.6
56.96577	4.1
57.03436	0.9
57.07062	1.2
58.99582	1.0
59.32174	0.8
64.72272	0.6
64.72829	0.7
68.05044	7.7
69.03432	1.6
69.07060	0.9
69.76048	3.9
71.04967	1.0
72.04518	6.3
73.02913	1.9
76.02211	0.9
77.03925	1.1
79.05506	15.1
81.07040	1.8
84.04514	1.5
85.01128	4.9
86.01472	2.1
90.05549	3.2
90.06096	0.7
91.05483	16.3
91.21951	0.7
92.05820	1.2
93.07021	2.1
95.04973	1.3
96.04488	1.9
97.02928	1.4
98.06058	0.9
98.97585	6.9
102.03790	4.7
103.04077	2.8
103.05484	22.5
104.04979	0.9
105.07043	100.0
106.07351	1.6
107.04967	15.3
107.08616	1.3
116.07104	1.9
116.10689	1.3
116.98625	3.8
117.02024	1.2
117.07005	1.6
118.06545	1.6
119.01893	1.0
119.08588	2.1
120.08125	13.3
120.08929	1.7
121.10107	1.1
128.06201	3.0
128.98662	1.2
129.07028	19.5
130.06537	13.7
130.07368	2.1
131.04921	8.2
131.08607	1.3
132.08051	1.3
132.08917	2.0
133.10129	6.1
134.10477	2.6
134.41046	0.9
141.07013	0.8
142.07373	2.2
144.05183	0.9
144.08104	5.2
145.06487	2.2
145.10097	1.1
146.09648	15.7
149.06013	1.1
151.03909	1.3
152.04288	1.4
155.04630	2.5
156.08105	19.3
157.06476	3.3
158.06871	1.0
158.99664	3.0
159.03056	1.5
159.07663	1.5
160.08437	1.5
160.12045	1.6
161.03006	1.2
161.09595	2.8
164.10625	1.0
170.06761	1.4
172.07596	1.3
173.23244	0.9
174.09171	78.9
175.07172	5.4
175.09503	1.8
176.06885	1.4
177.00684	3.0
177.12801	1.6
185.02890	1.1
185.56494	0.8
187.07066	1.5
189.08997	0.9
190.09500	6.6
192.10185	1.4
202.09322	2.3
203.04083	1.6
203.07190	1.0
204.14650	3.1
205.15918	8.1
215.04082	1.2
220.09720	56.3
220.17876	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	219.1746
Annotation	12-Sesquisabinenal
Peak:m/z	Relative Intensity
52.28318	1.4
53.00308	2.5
53.03943	2.0
55.05518	6.6
56.96300	1.5
56.96571	27.8
67.05492	4.0
69.07068	3.4
70.94043	3.1
70.94401	2.6
71.04655	2.0
71.05005	30.9
74.09097	1.3
74.45926	1.3
75.37114	1.2
79.05495	9.3
81.03419	1.6
81.07068	10.0
83.04991	32.8
91.05481	8.2
93.07059	27.7
95.04977	1.7
95.08607	8.6
105.07036	17.8
107.04991	2.1
107.08625	9.6
109.06549	4.3
109.10174	4.4
116.91132	1.4
117.07058	2.9
119.08595	13.7
121.06536	1.6
121.10155	100.0
122.10516	1.6
127.11235	2.3
131.08598	3.9
133.10133	5.4
135.08060	2.4
135.11708	4.2
136.92168	8.0
136.93115	3.0
137.09653	2.2
145.10165	13.7
147.11688	12.5
149.02293	1.7
149.13297	10.7
154.93208	9.6
154.94264	3.1
159.11736	7.7
161.13304	4.8
163.11183	2.7
172.94246	25.8
172.95428	2.2
177.01834	4.5
177.05440	1.6
189.09244	1.4
189.94913	1.4
190.95297	16.7
192.81204	1.5
195.95869	6.8
201.16382	7.3
203.14345	12.8
213.96945	4.7
219.06566	11.7
219.14320	10.0
219.17459	77.2
220.17914	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05495	1.6
56.96558	1.8
57.03424	2.5
64.74989	1.2
67.05499	2.1
69.03442	2.8
70.90497	2.4
70.90833	2.3
79.05489	2.2
81.07114	1.2
85.02892	1.4
91.05492	13.2
93.07042	1.8
95.04981	1.3
98.97599	7.0
103.05476	3.5
105.07018	5.0
105.81724	1.3
107.04972	1.2
107.08575	3.1
115.05459	11.8
116.06238	3.8
116.98660	3.0
117.07008	5.5
119.08562	3.6
121.06509	1.2
121.10158	2.6
128.06218	10.2
129.07016	46.0
130.06503	2.5
130.07788	2.5
131.04961	10.0
131.08575	43.0
133.10121	4.6
135.08044	2.2
137.05991	4.2
141.07007	40.2
143.04881	1.3
143.08543	2.8
144.05685	5.0
145.06514	9.6
145.10196	2.2
146.07236	4.5
147.08020	2.1
147.11789	1.3
148.05203	2.1
157.06487	23.7
158.07280	22.6
159.04437	4.3
159.08072	29.1
159.11732	2.8
160.05190	5.6
161.09662	6.1
163.07602	2.8
165.06512	1.3
168.05705	1.9
169.06479	14.3
169.07655	2.2
170.07303	7.5
171.07996	1.6
172.94278	1.4
173.05998	5.0
173.09557	2.2
173.13242	2.0
174.06784	79.0
175.07568	11.2
177.09222	2.0
178.05019	12.6
185.05951	1.7
186.06784	17.9
187.07541	2.1
188.08308	5.2
189.09125	100.0
190.09474	2.6
191.07043	1.7
191.10707	8.4
201.05431	2.1
201.09117	39.1
201.12805	3.0
203.14279	8.6
206.04507	2.7
219.10175	96.6
219.13931	7.3
219.17430	30.7
220.06079	2.9
220.10423	1.4
230.02507	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03424	1.4
67.05503	1.7
70.99707	1.4
71.00041	1.9
81.07036	1.2
81.85738	1.4
83.36998	1.2
91.05496	12.7
93.07022	1.6
93.54845	1.2
103.05476	3.4
105.07031	4.2
107.08624	1.3
115.05473	11.9
116.06263	2.2
117.07040	2.0
119.08585	1.7
128.06229	11.4
129.07024	44.2
130.07774	2.5
131.04962	6.8
131.08583	36.1
133.06508	1.4
133.10143	4.4
137.05988	4.4
140.06310	1.4
141.07004	37.6
143.04918	3.3
143.08556	1.7
144.00562	1.1
144.05721	7.0
145.06537	7.1
146.07295	6.5
148.05220	2.1
155.06091	1.6
157.06497	22.3
158.07283	25.2
159.04427	3.4
159.08076	28.8
159.09396	1.6
160.05196	5.2
161.06096	2.0
161.09659	5.7
163.07571	2.3
169.06488	16.2
169.07724	1.6
169.73721	1.4
170.07333	8.0
170.08546	1.6
171.08009	1.5
173.06046	3.7
174.06784	81.2
175.07526	8.8
186.06801	18.5
187.07455	1.7
188.08324	4.6
189.09128	100.0
190.09586	1.7
191.10709	9.0
192.83859	1.3
193.24081	1.2
201.09120	37.8
203.14281	1.3
219.10187	94.9
219.17363	5.7
220.10471	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	219.1018
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.89690	1.1
56.96561	1.9
57.03429	2.8
67.05492	2.0
69.07079	1.3
69.38718	1.5
69.39121	6.8
71.05002	1.6
79.05498	2.1
81.07054	2.2
91.05494	12.7
93.07041	3.0
95.08627	2.4
98.21491	2.1
98.97554	2.6
103.05465	3.6
105.07043	5.8
107.08590	2.4
115.05460	12.5
116.06229	3.7
117.07024	5.2
119.08579	3.0
121.10132	2.4
128.06247	10.5
129.07013	44.9
130.07753	3.1
131.04932	9.4
131.08575	46.0
133.10123	5.3
135.11659	1.1
135.59474	1.1
137.06015	5.3
137.06981	1.1
141.07001	41.7
143.01889	1.5
143.04904	2.0
143.08548	2.6
144.05716	6.6
145.06500	8.0
145.10135	4.0
146.07301	7.0
147.11681	1.8
148.05208	1.8
155.04916	1.8
155.06046	1.8
156.05659	1.3
157.06502	27.1
158.07297	22.9
158.99736	1.6
159.04427	5.6
159.08066	30.3
159.11662	3.1
160.05206	7.9
161.05960	1.1
161.09650	2.8
161.13293	1.9
163.07544	2.5
168.05783	1.6
169.06477	15.3
169.07715	1.1
170.07253	8.8
173.06003	5.5
173.13200	1.7
174.06781	84.4
175.07539	12.9
185.06009	1.2
186.06776	17.5
188.08307	4.1
189.09125	100.0
190.09473	2.2
191.07091	1.2
191.10605	6.2
196.09528	1.2
201.09134	42.4
201.16359	2.1
203.14349	1.5
219.10176	97.7
219.13765	3.3
219.17403	10.2
220.10423	1.8
221.62047	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01854	1.0
56.96560	2.0
57.03426	3.3
67.05496	2.1
69.07061	1.1
69.39283	1.0
70.50607	3.5
72.95698	1.1
79.05486	2.2
91.04981	1.2
91.05492	14.5
98.97566	3.7
103.03944	2.2
103.05442	3.8
105.07027	2.9
107.04954	1.4
107.08602	1.6
115.05480	12.4
116.06227	3.5
117.05495	3.7
117.07008	4.0
119.08585	2.4
121.06525	1.3
121.10095	1.9
128.06230	10.2
129.06032	2.1
129.07010	42.1
130.04189	1.7
130.07784	3.0
131.04945	9.8
131.08582	43.1
133.10117	3.4
137.05991	4.8
140.06238	1.0
141.07001	36.2
143.04892	3.0
143.08621	2.8
144.05675	6.8
145.06477	11.0
145.10107	1.4
146.06256	1.1
146.07251	6.0
147.04425	1.3
147.08002	1.5
148.05226	1.3
151.03902	4.7
153.06918	1.2
155.06036	1.8
157.06488	23.5
157.07756	1.8
158.03726	1.4
158.06104	2.0
158.07289	23.1
159.04419	3.6
159.08084	27.9
159.11691	1.8
160.05238	6.4
161.06020	2.1
161.09645	4.5
161.13284	1.6
163.07555	2.1
168.05672	2.0
169.06480	17.2
170.07271	8.6
171.04327	1.4
171.07994	2.2
172.94243	2.7
173.05978	8.3
173.09508	1.4
173.13181	1.4
174.06778	80.0
175.07538	13.3
177.05508	1.3
185.06013	1.5
186.06775	18.9
187.07489	1.5
188.08325	4.3
189.09123	95.3
191.07033	1.8
191.10687	7.7
201.05437	5.7
201.09117	40.7
203.14311	9.2
219.10172	100.0
219.14053	4.0
219.17427	26.7
225.69858	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
56.96552	2.1
57.03432	1.9
57.43913	1.4
67.05489	2.3
70.94522	3.8
72.09891	1.8
81.07040	3.1
91.05485	11.4
92.75545	1.5
95.08570	1.6
98.97593	4.0
103.05478	3.2
105.07010	4.5
110.11532	1.7
115.05454	7.7
116.06255	3.7
117.07040	4.2
119.08586	3.6
128.06223	10.7
129.07010	45.8
130.07767	3.0
131.04926	8.8
131.08575	37.3
133.10132	3.9
135.07938	1.8
137.05963	6.0
141.06993	34.0
143.04897	2.9
143.08498	2.3
144.05696	6.5
145.06485	9.2
145.10170	2.5
145.69679	1.6
146.07271	6.0
148.05188	1.7
151.03899	5.0
157.06493	21.0
158.07289	23.4
159.04478	3.9
159.08076	25.6
159.11679	2.2
160.05168	4.0
161.06006	1.8
161.09604	3.5
163.07553	2.8
169.06464	16.8
169.07635	1.8
170.07220	7.2
173.06007	6.3
173.13184	1.9
174.06786	84.9
175.07565	12.3
185.05904	2.4
186.06770	20.0
188.08356	5.5
189.09128	100.0
191.10594	8.4
201.09128	40.8
203.14253	4.5
219.10172	86.2
219.13976	4.5
219.17471	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	219.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32570	26.3
62.38402	38.6
64.55631	30.5
70.44057	100.0
90.05525	42.0
92.89777	29.6
94.06562	98.1
94.93015	78.5
115.05704	32.0
115.68819	30.9
125.76827	38.8
219.02628	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	219.08
Annotation	Cysteinylproline
Peak:m/z	Relative Intensity
55.01875	8.3
56.05043	9.5
56.96558	2.7
58.20628	0.8
58.99591	9.8
61.02921	3.8
68.05011	2.0
69.69360	0.8
70.02955	2.1
70.05946	1.5
70.06339	2.5
71.01370	6.7
72.04523	5.5
73.02934	1.3
75.02702	1.5
75.04486	11.2
76.02235	5.2
81.07050	0.9
84.04495	2.8
85.01134	80.5
86.99070	2.4
87.02696	3.1
87.04468	4.1
88.02239	1.2
89.02405	1.0
90.05558	31.9
98.02421	3.7
98.06052	13.1
98.21586	1.1
98.97596	1.8
100.03972	1.9
102.03774	100.0
103.03950	12.1
104.01709	6.0
106.61785	0.8
107.08606	1.1
111.85233	0.8
113.00597	1.3
116.01682	10.9
116.03459	1.2
116.07100	41.7
117.68638	0.9
118.13598	0.9
126.05501	3.8
130.03259	2.8
131.03404	1.1
142.03214	1.3
154.94223	1.0
155.76651	0.8
156.04784	2.0
158.02718	17.9
158.11714	1.7
159.02913	18.8
159.05905	2.5
170.43251	1.1
173.07448	1.3
173.13792	1.1
176.03770	3.8
184.09729	1.0
193.22110	0.9
201.06955	9.4
202.05360	12.1
203.14244	4.4
219.04860	1.5
219.08012	34.9
219.14053	1.8
219.17430	12.3
220.11815	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.50889	0.9
57.03422	1.6
58.65181	0.9
59.30773	1.0
60.56488	1.0
63.86736	1.0
91.05492	12.7
93.07063	1.0
95.04990	1.1
98.20753	2.8
103.05462	3.2
105.07030	2.9
107.08559	1.6
112.60892	1.0
115.05469	11.7
116.06270	3.7
117.07033	3.6
119.08600	1.6
128.06236	11.0
128.20515	1.0
129.07016	44.2
130.07791	4.2
131.04945	8.5
131.08578	40.4
133.10115	2.3
137.06015	4.1
141.06998	38.2
143.08597	2.4
144.05730	6.5
145.06496	9.3
146.07288	6.4
148.05199	2.1
155.06078	2.0
157.06505	26.3
158.07289	25.5
159.04404	3.8
159.08066	28.9
159.11707	2.6
160.05206	7.3
161.06090	1.8
161.09619	3.1
162.06819	1.1
163.07542	2.2
168.05731	1.1
169.06465	16.6
169.07617	1.5
170.07281	9.6
173.06036	4.2
173.09604	1.5
174.06783	81.1
175.07574	12.9
176.08154	1.3
183.08101	1.3
186.06769	18.6
187.07576	2.2
188.08342	4.2
189.09122	100.0
190.09619	1.8
191.07048	1.7
191.10681	8.7
200.26335	1.2
201.09108	42.3
203.14340	1.7
205.37773	1.1
216.49973	1.1
219.10184	98.7
219.17365	6.9
220.10617	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32570	26.3
62.38402	38.6
64.55631	30.5
70.44057	100.0
90.05525	42.0
92.89777	29.6
94.06562	98.1
94.93015	78.5
115.05704	32.0
115.68819	30.9
125.76827	38.8
219.02628	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	217.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99081	1.0
53.03936	1.3
55.05518	16.2
57.07061	1.9
59.04993	1.5
59.62027	1.0
61.58122	0.9
65.03926	1.9
67.05176	1.4
67.05510	21.1
69.07076	15.0
69.50194	1.0
69.97297	4.7
79.05509	8.5
81.07068	29.8
83.04990	12.9
83.08627	5.8
84.96257	1.0
85.06538	1.9
87.04485	2.3
89.02377	1.4
89.06019	1.8
90.39579	0.9
91.05489	14.6
93.07056	20.5
95.08615	48.8
97.10165	1.7
99.04440	1.7
101.06008	4.9
105.07043	42.3
106.66225	1.2
107.07877	1.4
107.08603	30.6
109.10168	51.4
111.04458	19.6
113.06005	3.0
117.07011	2.1
117.23172	1.0
119.08593	41.2
121.09483	0.7
121.10148	25.5
123.11720	18.2
127.07578	2.3
129.05507	4.9
131.08554	3.3
133.10144	25.7
135.11713	16.8
143.08502	1.2
145.10138	2.3
147.11710	29.2
149.13264	4.2
155.07042	25.4
155.08267	2.1
158.11780	2.2
159.11731	4.0
161.13275	67.5
173.08124	13.6
173.13242	1.0
174.14059	1.8
175.14853	10.7
179.03348	1.3
187.14879	1.9
189.16415	3.3
199.09634	1.3
200.12845	3.5
202.17216	1.9
205.26276	0.9
217.08638	2.3
217.10580	15.0
217.12445	1.9
217.19539	100.0
218.13881	10.5
218.19801	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1952
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
53.03938	0.8
55.05260	1.1
55.05512	12.4
57.03439	0.9
57.07063	2.2
59.05005	0.7
65.03949	0.9
67.05510	20.7
67.05869	1.1
69.03422	1.0
69.07071	11.4
70.66023	1.7
70.66396	0.7
71.08627	1.1
78.33023	0.6
79.05494	9.0
79.12363	0.7
81.07062	30.5
83.04984	8.8
83.08611	7.0
85.06522	1.0
89.02410	1.1
91.05480	11.6
93.06477	1.1
93.07049	20.5
95.04916	0.8
95.08611	46.5
96.08945	0.8
97.10167	1.9
97.60548	0.7
99.04438	0.9
101.06027	3.7
102.09209	0.7
103.05553	0.7
105.04524	0.7
105.07036	34.9
107.07865	1.5
107.08595	29.7
109.06498	0.7
109.10162	44.0
111.04444	13.2
113.05997	1.8
117.07014	1.0
119.06094	0.7
119.08583	31.8
120.67912	0.7
121.10151	29.8
123.11710	16.2
127.07557	2.1
129.05487	2.5
131.08592	2.1
133.10149	21.6
135.11697	15.5
137.13258	1.6
139.18857	0.8
145.10168	0.7
147.11697	26.9
149.13293	4.2
155.07051	13.5
158.11794	1.0
159.11685	2.9
161.13264	58.6
162.13631	0.9
173.08107	8.7
173.13263	0.8
175.14827	10.6
187.14822	1.1
189.16400	3.9
198.55173	0.7
199.09563	0.9
200.12819	1.8
202.17183	1.6
217.10567	9.1
217.12421	1.5
217.19525	100.0
218.13878	10.7
218.19878	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1589
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
53.03940	2.2
55.01864	2.7
55.05512	38.2
57.03430	1.2
57.07070	3.3
59.04990	3.0
60.18257	0.9
65.03945	2.5
67.05508	13.2
69.03430	5.1
69.06737	1.3
69.07074	21.9
69.18407	4.2
69.18829	7.2
71.04990	2.4
73.02903	2.4
79.05490	10.0
81.03400	1.8
81.07056	14.2
83.04984	50.2
83.08617	6.0
85.06534	4.2
87.04461	5.8
89.02379	4.7
89.06030	7.9
91.05491	15.5
93.07056	15.2
95.04977	12.7
95.08614	15.6
97.06514	2.9
98.20711	2.0
99.04457	3.7
101.06020	17.6
103.05504	1.2
105.07035	31.7
107.04925	2.2
107.08604	16.6
107.54443	1.0
109.06525	6.2
109.10163	11.9
111.04447	71.1
111.08064	4.2
113.06002	7.0
115.05457	2.0
117.07026	5.1
118.16420	1.3
119.04935	1.9
119.08587	59.0
121.06516	4.9
121.10149	27.3
123.08047	5.5
123.11687	1.6
127.07562	9.1
128.06219	4.3
129.05490	12.7
129.06970	3.5
131.08578	14.0
133.06482	3.2
133.07561	1.2
133.10138	31.5
135.08034	4.6
135.11676	5.8
137.05957	2.2
137.09589	1.7
141.06918	1.6
142.07767	5.4
143.08569	11.3
144.09332	2.2
145.10132	16.9
146.07271	2.0
147.08069	9.3
147.11682	16.4
148.08809	5.2
149.09602	4.7
155.07043	83.9
156.07368	1.2
156.09334	3.7
157.10139	18.2
158.10904	3.9
159.08073	1.9
159.11699	14.3
160.08853	2.4
161.09633	22.0
161.13248	4.4
169.10144	1.5
170.10864	1.2
171.11729	8.6
173.08122	45.1
173.09660	2.3
173.13251	14.5
175.11221	11.4
175.14828	11.9
184.12498	3.5
187.11136	1.8
187.14838	4.6
189.09084	1.2
189.12750	2.4
189.16371	10.9
192.15260	1.0
197.08839	1.1
199.09654	5.6
199.11456	1.9
199.14799	20.7
202.02618	1.8
202.13528	2.0
217.04973	4.4
217.08823	1.4
217.10689	42.2
217.12411	3.3
217.15883	100.0
217.19464	6.6
218.13879	9.1
218.15938	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1224
Annotation	1,2,3,4-Tetrahydro-15-nor-4-oxochromolaenin
Peak:m/z	Relative Intensity
53.03937	2.8
55.05518	36.5
57.03436	3.2
59.05012	15.5
61.93541	2.2
65.03950	2.4
69.03432	6.9
69.38155	8.1
69.38582	8.3
69.92012	2.2
71.77265	2.4
79.05496	12.4
81.07070	35.8
83.04990	85.4
87.04444	2.3
89.02394	2.7
89.06032	5.0
89.42478	1.9
91.05521	10.3
93.07053	4.0
95.05007	3.8
98.21471	3.7
101.06032	10.5
103.05479	4.9
105.07032	5.8
108.05746	2.6
109.06534	42.3
111.04446	40.7
113.06036	4.9
115.05508	2.7
118.04167	5.5
121.06516	59.5
127.07560	3.8
128.06241	4.8
129.05510	7.0
129.07060	3.3
132.05780	2.7
133.05502	2.6
133.06503	44.6
135.04401	2.2
135.08095	7.4
137.06004	4.1
141.06990	6.2
144.05754	4.8
144.91829	2.3
145.06525	5.7
147.08044	11.2
153.07018	4.8
155.07057	44.2
156.09358	2.8
158.07295	10.6
159.08087	11.2
160.05257	8.0
160.08873	15.3
161.06001	69.8
161.09651	6.4
165.07030	5.1
167.08679	3.6
168.09401	4.5
169.06558	9.2
171.08073	12.3
173.08154	27.9
173.09569	4.5
174.06682	3.1
174.10435	4.9
175.07587	19.8
175.11189	31.6
183.08060	2.8
184.08871	17.5
187.07515	2.0
188.08324	6.0
189.09082	4.3
189.12805	7.9
199.11272	17.5
200.12860	3.0
202.09918	8.6
217.05011	2.2
217.10614	13.7
217.12340	100.0
218.13947	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	217.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.3
53.00311	0.8
53.03955	0.5
55.05515	1.4
65.03945	35.1
67.05517	0.4
70.04391	0.6
77.03918	1.0
79.01864	0.4
79.05496	0.4
81.07065	0.3
83.04984	3.1
85.06523	0.2
87.04469	0.2
89.02369	0.2
89.06042	0.3
91.05489	0.6
93.03411	17.4
93.07043	0.3
95.04980	0.4
96.06217	0.1
99.44320	0.1
101.06043	0.7
103.05474	0.7
105.03378	1.2
105.07056	0.4
107.00677	0.2
107.01350	0.6
107.04925	0.2
107.08584	0.2
107.65241	0.2
111.04449	2.9
113.06021	0.4
119.08575	0.3
127.07583	0.4
128.06180	0.2
129.05486	0.4
129.06987	0.2
131.04913	0.5
133.02856	0.2
133.10144	0.3
133.51701	0.1
151.03932	0.1
155.07042	3.9
159.04428	0.2
161.02335	3.8
173.08096	1.9
175.03931	0.7
175.07581	0.2
177.05466	1.6
179.03403	100.0
180.03763	1.1
193.04961	1.5
199.07622	0.2
199.09627	0.2
217.08597	10.6
217.10640	2.1
217.19437	0.4
218.13962	0.5
220.06061	0.4
235.09660	8.8
236.10005	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01804	2.2
55.05520	32.2
57.03415	2.3
57.91968	1.7
59.05002	3.1
63.33734	1.7
67.05515	3.2
69.03432	6.6
69.83234	10.7
70.06593	12.2
71.04985	1.8
72.08160	4.1
73.02930	3.9
74.06077	3.6
82.99854	2.1
83.04994	42.8
84.04499	2.1
84.08131	2.6
85.02911	3.3
85.06573	2.0
87.04464	5.5
88.07629	2.0
89.02414	4.5
89.06041	5.8
95.04993	2.3
98.21249	4.9
98.97564	2.3
99.04464	4.1
101.00890	8.3
101.06020	18.3
111.04453	66.9
111.05221	3.5
112.07664	2.3
113.06007	6.5
115.02422	1.8
116.07089	9.2
119.01939	15.1
121.01751	2.3
127.02351	2.2
127.07553	8.0
129.05507	13.1
131.01924	4.4
133.03491	3.0
137.05966	2.0
145.03455	11.9
148.27916	2.0
154.08655	5.2
155.07048	75.1
156.97447	2.6
157.44252	1.8
158.08202	2.0
163.04526	2.5
171.01411	3.0
173.03023	2.8
173.08122	44.9
177.02614	1.9
189.02504	4.4
191.04144	2.1
194.03017	2.4
199.09758	6.3
216.99756	3.3
217.03447	4.0
217.06891	100.0
217.10674	34.2
217.12740	3.8
218.06944	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0684
Annotation	Decarboxytiaprofenic acid
Peak:m/z	Relative Intensity
51.38100	3.4
64.29883	3.4
69.39930	3.5
70.06590	6.8
70.21131	13.4
80.58264	3.3
81.43605	3.3
101.00896	11.3
107.36141	3.3
118.26130	3.5
119.01945	18.0
143.05251	4.4
145.03503	19.4
171.08559	5.5
189.02530	4.9
194.96204	3.2
217.06880	100.0
217.12917	6.6
231.89520	4.0
237.94766	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	217.0022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50230	0.7
55.01874	1.2
55.05268	1.5
55.05517	23.1
56.96571	59.5
57.03428	1.7
58.01352	0.8
58.99862	1.4
59.04987	2.1
63.68756	0.7
65.31540	0.7
67.05493	2.3
69.03443	3.1
69.07063	1.5
69.79806	1.9
69.80220	3.2
70.06604	2.8
70.98135	5.3
72.08167	8.9
73.02914	2.8
79.38402	0.7
81.03387	0.7
81.07049	0.8
82.99840	1.1
83.04987	31.1
83.08667	1.2
84.04533	1.1
84.08147	4.5
85.01401	0.9
85.02922	2.0
85.06549	2.4
86.09707	1.2
87.04490	4.6
88.99159	1.7
89.02399	3.0
89.06049	5.0
89.09464	0.8
97.02899	1.6
98.97590	11.1
99.04459	3.0
100.02205	2.8
101.00898	10.1
101.06021	11.6
103.02457	2.5
110.97578	30.0
110.98344	1.6
111.04456	45.6
113.05997	5.5
115.02415	1.4
116.05711	0.8
116.07114	1.0
116.98604	5.4
119.01926	19.0
121.01675	1.6
121.03481	0.9
124.99106	1.7
125.32023	0.8
127.02376	2.1
127.07578	6.3
128.98619	30.0
128.99582	1.7
129.04016	1.0
129.05489	8.4
129.10216	1.1
129.70874	0.8
130.05009	0.8
130.08682	1.9
131.01909	3.6
131.05562	0.9
133.03476	1.8
134.99701	1.4
135.03209	0.8
137.02985	4.0
137.06013	1.4
140.06218	0.8
143.00197	2.8
143.01930	0.9
144.08121	2.4
145.03473	28.1
146.99658	14.0
147.05121	1.7
147.06436	1.2
149.01274	0.8
151.87679	0.8
155.07043	57.1
156.98140	19.0
158.08186	1.0
161.01201	2.6
161.02975	1.0
163.02785	0.7
163.03220	0.9
163.04544	8.3
165.00737	1.1
168.05055	1.2
170.99037	1.2
171.01469	2.7
171.05008	1.6
172.06094	0.8
173.03018	2.8
173.06602	1.6
173.08112	33.2
174.99165	100.0
175.04486	2.3
175.99513	1.7
177.02420	0.8
187.08162	1.4
189.00273	1.8
189.02481	2.7
189.04250	1.1
189.06099	1.5
191.04008	9.0
193.00229	89.2
194.00661	2.9
194.02994	1.3
198.00778	1.7
198.98584	1.1
199.09755	3.8
211.01315	3.2
212.01813	1.3
216.01982	1.6
216.99715	2.4
217.01883	1.3
217.03734	1.5
217.06892	6.9
217.10754	27.6
217.12637	1.3
217.15500	1.5
235.06740	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01386	1.5
56.05029	1.9
57.03440	2.4
58.06612	4.6
61.02919	1.4
68.05032	4.0
69.03435	36.5
69.03813	1.8
70.06587	3.6
70.99848	1.0
71.53897	1.2
72.08154	11.4
73.02916	1.2
73.06553	1.2
81.03431	0.9
82.99860	1.4
83.06104	3.5
84.04513	28.9
84.08138	3.5
85.02905	10.0
86.06065	4.0
86.09694	1.7
86.63135	0.8
87.04504	1.2
95.06098	46.2
96.04509	4.2
96.08097	0.9
97.02879	2.5
97.06536	1.2
99.01132	0.9
100.02458	1.2
101.00275	1.5
101.00893	17.1
102.00990	0.9
102.05553	4.2
103.00636	3.5
103.02488	0.9
109.04000	2.6
109.04688	0.8
113.00832	1.3
113.30891	0.9
114.05530	1.3
115.02425	3.4
117.02179	2.3
118.03488	1.1
119.01933	36.8
120.02032	1.8
121.01663	5.1
123.09193	2.1
124.07667	1.5
129.06604	2.5
130.05016	30.2
131.01912	2.6
133.03442	6.0
136.06207	2.9
137.02989	4.1
137.04808	1.3
141.06598	79.1
142.03880	1.5
142.05009	28.3
143.01842	1.2
144.99841	1.1
145.01668	1.4
145.03424	2.0
147.05060	1.7
151.08672	23.6
152.07100	2.3
155.04500	2.4
157.03481	3.5
159.03137	4.7
161.02936	3.4
163.02663	4.7
168.99815	3.3
169.09741	31.7
169.13358	4.5
170.08139	16.4
173.02995	1.8
175.04559	3.8
177.04388	1.1
181.03723	1.9
187.00902	5.4
187.02754	6.2
187.04547	2.9
191.02284	1.0
197.09219	34.2
198.07625	15.9
205.03801	9.3
205.05405	1.0
214.99915	1.4
215.01651	4.6
215.03859	1.8
215.10291	100.0
215.13887	10.5
216.08707	12.1
233.01221	1.1
233.05052	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	214.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	2.1
57.03445	0.8
58.99887	0.9
61.02951	1.0
69.03440	2.2
69.07076	10.9
69.57760	0.8
70.06580	1.6
70.47843	1.8
70.98125	1.0
70.99851	1.3
73.06561	0.9
77.00960	0.9
82.99842	5.6
84.08151	3.7
86.09713	77.4
87.10040	0.7
96.08070	0.7
97.02946	1.0
97.06541	10.7
98.21441	0.7
98.97604	1.1
100.02502	2.7
101.00890	42.4
101.14697	0.8
102.00959	1.3
102.05421	0.7
112.07651	1.8
113.00912	1.2
115.02462	0.9
118.03534	10.9
119.01931	100.0
120.02061	2.2
121.01701	0.8
126.04073	0.9
130.03520	2.2
131.01947	3.2
133.03473	2.2
136.04572	1.7
136.06198	0.9
137.02972	21.8
141.06625	1.1
142.03438	0.8
144.05080	1.4
144.08719	2.6
145.03484	2.5
149.02974	1.0
155.05505	2.0
156.05051	1.0
160.06409	1.1
161.03073	1.0
162.09778	2.2
168.05060	1.4
168.08713	5.2
170.54990	0.8
171.99133	1.6
172.04575	2.5
173.02997	1.2
173.06618	2.2
186.09775	53.8
187.09879	0.9
190.00179	1.0
190.05769	0.9
190.07492	1.4
191.04015	2.2
191.07629	1.9
196.08238	1.4
197.06682	3.9
204.10838	17.8
207.12109	0.7
214.05687	1.9
214.07541	1.6
214.09251	27.4
215.07648	4.5
215.10370	1.2
220.97142	0.8
232.01268	1.0
232.10333	59.1
233.08670	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	213.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02139	0.5
53.03942	1.4
55.01873	4.2
55.05272	0.7
55.05518	12.5
56.96581	3.8
57.01962	0.5
57.03428	1.2
57.07085	3.4
59.04977	1.0
62.93869	0.5
65.03925	0.6
67.05173	0.8
67.05512	12.4
69.03432	3.3
69.07075	21.9
69.45230	4.3
70.06590	2.3
71.05003	9.4
71.08630	0.6
72.08171	0.6
73.02908	0.6
73.06547	0.7
79.05499	7.8
81.03404	0.7
81.07067	27.7
83.04974	1.1
83.08152	0.6
83.08630	11.6
85.02914	1.5
85.06551	5.8
87.97029	0.5
88.07636	0.8
88.76794	0.5
91.05483	3.7
93.06476	1.2
93.07053	20.3
95.04978	1.0
95.08616	44.1
97.02874	1.2
97.06523	1.2
97.10184	9.7
98.97607	6.6
99.04462	0.8
99.08103	38.9
105.07036	5.8
107.04979	0.8
107.08602	39.5
109.06583	0.7
109.10167	25.9
111.08090	15.7
111.11704	1.0
111.95697	0.5
113.09673	3.1
116.98629	3.3
119.04949	1.1
119.08591	2.0
121.10158	68.7
123.08059	0.8
123.11723	4.1
125.09639	5.8
125.13295	1.0
127.03922	1.1
128.06194	0.8
128.98579	0.7
129.07004	1.5
131.08594	1.6
133.07663	0.8
133.10109	1.8
135.08118	0.8
135.11708	16.4
137.13264	10.9
139.11169	3.0
141.06946	1.1
142.07780	1.6
143.08543	1.3
145.10103	0.8
146.99568	0.9
147.11728	0.8
149.13278	5.1
153.12741	2.3
155.08450	0.6
156.09322	0.9
157.10139	2.8
158.99664	2.5
167.07062	1.3
170.07253	0.8
171.08067	1.1
171.11699	2.2
177.00719	1.2
177.16402	100.0
178.16711	1.1
185.09711	1.6
185.13237	1.2
195.06429	0.7
195.11740	0.6
195.17464	18.6
198.06618	0.6
213.05484	2.1
213.09290	3.5
213.12843	2.7
213.16446	3.2
213.18518	13.8
231.06526	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.1
55.01865	1.6
55.05512	3.4
56.96574	37.2
57.03435	3.2
61.02927	1.8
65.03938	2.2
65.78587	1.2
66.40883	1.4
67.05515	3.7
69.03427	4.4
69.07063	2.9
69.44878	1.4
69.98476	2.9
69.98882	5.1
70.06600	3.4
70.95856	1.5
71.04992	4.8
71.95264	3.0
72.93790	6.1
73.02918	2.7
77.00876	1.6
79.05488	5.9
81.03436	2.7
81.07058	4.9
82.06587	1.3
83.04986	2.7
84.08161	2.5
84.96026	4.2
85.02888	5.7
90.94825	5.9
91.05500	7.0
93.07024	6.4
95.04993	8.0
95.08633	2.7
97.02897	4.1
97.06558	2.2
98.97596	100.0
99.07978	1.5
102.05605	1.3
105.07053	12.7
107.08601	6.4
109.02874	1.7
109.06509	6.8
109.10157	1.8
110.97567	4.6
111.04452	2.1
112.99129	1.8
116.07113	2.0
116.98636	60.5
117.98972	1.3
119.01894	3.1
119.08585	5.1
121.02883	31.6
121.03894	2.3
121.10162	6.9
122.03214	4.6
123.04469	1.4
123.08092	8.1
123.11749	2.4
128.98592	5.4
131.00148	2.9
131.08582	7.9
132.95859	18.0
133.05940	3.0
133.10152	61.4
134.10474	3.3
134.99677	22.1
135.08084	1.9
137.05965	1.8
139.03922	3.1
140.00175	2.9
141.00055	3.1
142.06422	2.1
143.00215	2.7
143.08440	1.6
145.10106	4.2
146.99637	5.0
147.11674	4.6
149.13275	2.8
149.24107	1.4
149.96136	3.8
150.96906	35.9
151.03934	2.1
153.00722	2.7
154.08643	2.4
158.02698	1.9
158.10912	2.5
158.99669	28.7
161.01251	3.1
167.07094	1.8
167.97153	5.2
168.06531	1.6
168.10205	3.4
168.98071	2.9
170.11821	2.2
170.99649	2.8
172.97708	1.4
173.04639	1.7
173.13329	7.6
176.12721	1.5
177.00734	31.5
186.99168	4.2
189.00745	3.9
191.14326	4.5
191.97130	8.3
196.09671	2.9
196.81448	1.5
201.00618	2.1
205.08150	1.5
209.98236	5.9
213.00591	2.5
214.08652	5.4
214.10777	4.7
214.14384	3.3
219.01701	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	213.1852
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
50.54165	1.0
53.03947	1.2
55.01857	3.8
55.05518	11.2
56.72467	1.0
56.96556	4.7
57.07063	3.1
57.56631	1.2
65.18900	1.1
67.05518	6.8
69.03426	2.2
69.06720	1.6
69.07073	19.2
69.47293	8.0
71.05010	5.8
79.05489	7.5
79.92593	1.0
80.43950	0.9
81.07069	22.4
83.08624	9.8
85.06547	4.1
91.05474	4.4
91.06022	1.0
93.07056	17.3
95.08614	36.2
95.48934	1.1
97.10172	8.4
98.97580	4.2
99.08104	37.3
105.07018	3.0
107.08606	41.6
109.10166	14.9
110.97559	1.3
111.07395	1.2
111.08093	15.6
113.09620	3.2
119.08623	1.3
121.10153	66.4
123.11746	3.1
125.09606	5.3
135.11700	13.4
137.13275	9.1
139.11128	1.9
149.13268	4.5
157.10211	1.4
177.16405	100.0
178.16719	1.3
185.09575	1.3
195.17476	15.9
213.05545	1.7
213.09218	2.5
213.18506	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	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03942	1.9
55.01854	1.8
55.05516	55.2
57.07080	8.4
66.37107	1.5
67.05492	4.6
69.03431	3.2
69.07074	14.4
70.06580	3.0
70.99047	1.7
70.99379	3.1
71.04990	3.2
79.05479	3.6
81.07069	15.7
83.04984	6.2
83.08627	32.2
84.08120	2.8
85.06540	5.3
91.05467	1.6
91.58121	23.2
93.07053	10.8
95.04978	1.7
95.08614	23.7
97.06553	1.8
97.10176	4.7
98.09711	6.5
98.97583	4.2
99.04407	1.6
99.08101	15.8
100.07597	7.1
100.09460	3.0
100.11263	100.0
101.11648	4.1
105.07079	3.7
107.08604	19.2
109.10191	9.6
111.04467	5.1
111.08092	4.8
111.11714	1.5
112.07610	5.5
113.09625	2.1
116.98640	1.9
117.13901	6.4
119.08566	2.8
120.73756	1.3
121.10160	33.7
125.09626	7.8
126.09178	10.4
127.03922	1.5
128.07097	2.2
135.11696	9.1
137.13246	7.1
140.10721	6.5
141.11490	75.5
141.61696	7.5
142.07779	1.8
143.11786	2.4
144.85680	1.3
149.13300	3.7
154.12273	26.2
155.11259	9.8
157.10162	2.5
158.99631	1.7
170.10983	1.6
172.15727	1.8
175.83334	1.5
177.16397	44.3
182.15414	57.0
183.15804	2.8
185.09729	2.0
195.17575	6.9
195.19096	1.7
199.18080	44.0
200.18425	3.0
204.66405	2.0
209.16516	5.9
210.14978	7.4
213.05411	3.6
213.07396	2.2
213.09250	3.2
213.12793	2.3
213.16115	2.9
213.17868	32.1
213.68001	4.8
225.16028	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	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03951	2.5
55.01870	4.6
55.05511	14.3
56.96574	1.5
67.05496	6.1
69.07073	20.0
69.45036	11.2
70.06574	3.5
70.83176	1.4
71.04974	3.6
74.61351	1.5
79.05505	7.2
81.07063	24.8
83.08620	13.1
85.06536	5.3
91.05501	2.3
93.07061	16.3
95.08617	45.3
97.10169	6.2
98.97581	6.0
99.07484	2.5
99.08105	40.3
105.07023	2.8
106.63115	1.5
107.04956	1.5
107.08598	42.1
107.45269	1.4
109.10138	9.9
111.08089	21.9
113.09644	3.3
116.98569	1.7
121.10158	68.5
123.11707	2.0
125.09633	5.2
133.10147	1.8
135.11703	12.8
137.13277	9.4
139.11189	1.5
149.09625	2.6
149.13240	5.8
151.24687	1.6
153.05167	1.3
168.06815	1.2
177.16399	100.0
190.72314	1.4
195.17514	13.5
213.18533	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	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
55.01869	6.8
55.05519	16.0
56.96563	11.0
57.03429	1.9
57.07059	2.0
57.45853	1.9
58.36597	1.9
61.82259	1.8
62.35317	1.7
67.05513	10.7
69.03423	5.3
69.07075	20.6
69.77596	8.9
69.78009	3.7
70.06606	10.0
71.04992	7.5
72.08139	2.7
79.05510	12.3
81.03410	6.2
81.07069	31.3
83.04974	2.5
83.08610	11.3
84.96056	2.8
85.02929	4.5
85.06541	6.5
86.09689	2.7
91.05480	8.7
93.07053	21.9
95.04973	7.1
95.08611	47.2
97.02889	3.1
97.06510	3.5
97.10169	9.9
98.97592	52.7
99.07489	3.1
99.08103	39.5
99.24058	2.1
105.07044	9.7
107.04943	7.7
107.08602	44.1
108.03432	1.9
108.21096	2.2
109.02883	2.8
109.06533	1.8
109.10155	12.7
110.97582	2.0
111.08083	20.3
113.09652	3.2
115.96865	1.9
116.98633	18.5
119.08587	6.1
121.10152	76.6
122.05233	2.2
123.08083	10.0
123.11730	5.1
124.99107	3.6
125.09654	8.2
127.03950	12.0
134.99644	3.6
135.08051	3.5
135.11722	15.4
137.13248	8.9
142.07751	2.2
147.11652	4.9
149.09639	10.7
149.13231	6.6
150.06133	2.4
153.02071	2.0
158.99672	17.3
159.51219	1.8
163.07570	3.2
167.07109	10.2
167.08321	2.0
177.00766	10.7
177.16403	100.0
189.12830	3.0
192.07254	2.4
192.60692	2.3
195.10062	1.9
195.13704	2.3
195.17474	14.2
207.13849	2.6
213.07732	5.3
213.12692	3.8
213.14815	3.0
213.18472	12.7
213.57837	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	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
55.01862	5.6
55.05519	19.4
56.96563	5.6
57.07066	4.6
59.04976	2.5
67.05514	9.2
69.03423	5.9
69.07069	23.3
69.38752	14.4
70.06585	5.4
70.50142	1.5
71.04992	9.0
79.05489	8.5
81.07065	23.7
83.08633	14.4
85.02905	2.0
85.06534	5.0
86.09688	3.4
91.05490	6.3
93.07048	22.4
95.04981	3.3
95.08611	52.2
97.06554	2.1
97.10160	14.6
98.97587	29.5
99.08096	23.8
100.11272	3.1
101.62647	1.6
104.04095	1.8
105.07050	9.3
106.87086	1.6
107.04920	4.1
107.08601	47.2
109.10159	14.2
111.08087	12.0
113.09669	4.2
116.98616	9.3
119.08590	4.4
121.10149	78.1
123.11729	2.2
125.09614	10.2
133.10159	3.2
135.11697	16.6
137.13274	8.0
145.10141	2.8
147.11707	2.3
149.09621	3.9
149.13261	8.6
153.09029	2.0
158.99704	5.5
165.07025	1.9
167.07010	6.5
177.00761	4.5
177.16406	100.0
178.16728	1.7
195.17484	10.7
204.07227	2.4
213.09143	3.1
213.12770	2.4
213.16312	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	213.1488
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
53.03946	2.2
55.01876	16.0
55.05516	72.6
55.74805	1.5
59.04990	3.0
67.05189	2.4
67.05510	33.0
69.03418	6.3
69.07073	13.8
70.35516	1.5
71.05000	69.0
78.18333	1.2
79.05499	19.4
81.03449	2.2
81.07065	36.0
83.04969	5.6
83.08151	2.5
83.08626	44.5
85.06549	6.4
87.04471	9.7
91.05486	7.2
93.07059	18.4
95.04939	1.5
95.08605	11.3
97.06539	100.0
97.10178	66.3
98.20766	5.4
98.97599	2.7
101.09640	1.6
105.07027	3.9
107.04901	2.0
107.08609	23.9
109.06499	2.9
109.10163	15.1
111.08060	3.3
113.06026	1.5
117.07001	5.9
117.45941	1.3
119.08608	1.6
121.06462	2.0
121.10148	4.9
124.14072	1.7
125.09643	44.1
129.06972	1.5
131.08537	6.1
132.25630	1.2
133.10109	5.1
135.08041	5.9
135.11688	6.2
136.89058	1.5
143.08591	1.5
149.13263	5.0
151.11127	1.5
153.09157	3.5
157.10149	2.0
159.11705	5.3
167.14288	2.4
171.10214	1.5
171.11736	1.4
177.12740	7.4
189.11249	6.7
195.06807	1.3
195.13824	39.1
213.09091	5.9
213.14850	100.0
214.15335	1.9
229.44034	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1123
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03950	1.3
55.01874	0.9
56.96576	0.9
65.03934	0.5
69.63705	2.7
78.04718	2.5
79.05497	9.4
90.14041	0.4
90.16895	0.3
91.05489	4.3
93.03404	0.5
93.07060	0.4
95.04999	2.5
96.05772	0.4
98.97591	1.8
103.05475	8.4
105.07044	5.7
106.04182	1.8
107.04963	61.3
107.08624	1.0
108.05316	0.7
109.02914	0.6
110.97592	0.8
115.05458	4.0
116.98624	0.6
117.07017	1.8
119.04957	0.9
120.05740	1.9
121.06470	1.1
121.10175	0.5
122.03656	0.6
123.04443	6.0
124.05207	3.2
125.05995	1.2
125.98237	0.4
128.98590	0.6
131.04927	2.3
133.06467	0.7
134.03683	0.6
135.08063	16.2
137.05980	1.5
139.03961	0.6
145.07625	1.0
147.04439	1.0
148.05246	0.6
149.05975	0.9
151.03935	1.6
152.04675	2.2
154.06259	2.0
163.07552	28.0
165.05511	0.6
167.07051	100.0
168.04161	0.4
168.07452	0.6
180.07822	3.0
195.10182	16.6
213.11095	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
53.03939	3.6
54.48250	1.4
55.01877	18.2
55.05516	80.6
56.96564	8.1
57.03429	3.6
57.07067	6.3
59.05000	3.5
63.76995	1.5
65.03943	2.2
67.05508	39.7
69.03428	11.2
69.07072	38.2
69.27016	1.2
69.32332	4.4
69.32757	7.3
70.06604	6.9
71.05000	73.1
79.05495	26.1
81.03410	3.6
81.06594	2.2
81.07066	52.4
83.04982	7.7
83.08624	59.6
85.02909	20.2
85.06551	15.0
87.04481	10.4
88.07639	2.0
91.05486	11.6
93.06467	2.5
93.07050	39.5
95.04979	2.5
95.08614	49.1
97.02884	2.7
97.06540	100.0
97.10177	72.0
98.10544	1.3
98.21517	2.5
98.97594	20.6
99.04452	1.6
99.07497	2.3
99.08099	36.1
101.09662	1.7
103.05470	2.0
105.07035	13.1
107.04941	4.3
107.07873	2.8
107.08601	55.5
109.06501	4.3
109.09467	2.0
109.10164	29.3
111.07401	1.4
111.08086	22.2
113.06001	1.5
113.09663	3.5
115.05424	2.3
116.98650	8.5
117.07004	5.7
119.08564	7.8
121.06514	2.7
121.10149	61.3
123.08100	6.6
123.11720	4.8
125.05967	1.4
125.08764	2.8
125.09639	48.5
127.03909	3.8
128.06229	4.5
128.98573	1.5
129.06981	5.9
131.08548	7.4
133.10146	12.4
135.08093	7.9
135.11716	22.5
137.13280	7.7
139.11162	2.4
141.07016	1.9
142.06784	1.6
142.07767	7.6
143.08542	5.5
145.10132	1.7
147.11674	5.5
149.09613	2.3
149.13268	8.9
151.03883	1.5
151.11212	1.7
152.06075	1.7
153.09068	4.2
153.12706	5.6
155.08522	1.6
157.10170	7.7
158.99670	8.6
159.07986	1.7
159.11687	5.4
165.07037	2.1
167.07042	6.4
167.08557	3.9
167.14299	2.2
170.07352	2.4
171.07997	2.7
171.10349	1.9
171.11649	6.8
173.13231	2.4
177.00742	7.8
177.12860	9.2
177.16396	83.2
185.09634	7.0
189.11250	7.7
191.14319	1.6
195.06551	1.9
195.11899	1.5
195.13820	43.8
195.17479	13.2
213.05399	5.2
213.07329	1.9
213.09221	16.6
213.13060	3.7
213.14832	93.6
213.18416	8.9
214.08531	4.9
231.06538	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00322	0.7
53.03951	1.7
55.01876	0.9
56.96574	1.8
57.03441	0.6
65.03934	0.7
67.05521	0.7
67.41180	0.4
69.03442	0.8
70.06598	1.8
70.67651	1.3
77.03934	0.6
78.04716	2.8
79.05501	8.4
81.03446	0.5
81.07057	1.3
85.02914	0.5
86.09724	0.4
86.90430	0.4
91.05489	5.5
93.07052	1.5
95.04984	2.8
96.05750	0.4
97.02922	0.8
98.97585	3.5
103.05474	8.8
103.06145	0.6
105.03432	0.5
105.04518	0.6
105.07041	7.4
105.07755	0.4
106.04189	2.1
107.04964	59.1
107.08613	1.5
109.06524	0.8
110.03680	0.5
110.97610	0.9
111.04453	0.5
115.05456	4.4
116.98669	0.9
117.07045	1.6
119.04951	1.3
119.08619	0.5
120.05741	3.0
121.06495	1.0
121.10138	0.9
122.03641	0.7
123.04443	6.4
124.05214	4.4
125.06018	0.9
128.98628	0.9
131.04938	2.3
133.06519	0.9
134.03656	0.6
135.08063	14.6
137.05984	1.3
138.06876	0.4
139.03876	1.0
143.00125	0.5
144.92070	0.4
145.07584	1.1
147.04420	1.3
148.05244	0.5
149.05957	0.8
149.09657	0.6
151.03914	2.5
152.04724	2.5
153.02161	0.4
154.06265	3.0
156.13034	0.4
163.07559	25.1
165.05492	0.6
167.07053	100.0
168.07336	0.9
177.00737	0.6
180.07832	3.0
189.97701	0.4
195.06514	0.4
195.10187	14.0
213.05933	0.5
213.09384	0.6
213.11220	1.7
222.06496	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.2058
Annotation	9Z,11E-Tetradecadien-1-ol
Peak:m/z	Relative Intensity
55.05516	21.2
55.19618	0.6
57.07087	4.6
65.03945	1.3
65.59905	0.6
67.05508	60.7
69.03436	0.7
69.07074	40.1
69.22642	2.8
69.23066	4.3
69.48453	0.7
71.04984	1.5
71.06118	0.8
71.08614	1.2
79.05500	6.3
81.07063	57.3
83.04957	1.4
83.08628	15.4
85.06550	6.5
87.00278	0.7
91.05491	1.2
93.07061	4.3
94.06586	1.0
95.04960	2.7
95.08613	100.0
97.06585	1.2
97.10172	9.0
98.21534	1.3
99.04469	0.9
99.08088	3.2
105.07043	1.6
107.08597	2.7
109.06541	0.9
109.10168	28.4
110.07151	0.9
111.11719	4.4
119.08575	2.1
121.10217	0.8
123.04486	0.9
123.08048	1.2
123.11735	8.4
124.99205	0.7
125.02412	0.9
133.10126	1.2
135.11736	2.2
137.09634	1.7
137.13246	3.5
147.11687	0.8
151.11087	0.9
151.14761	1.0
152.40044	0.7
175.14880	1.1
193.12340	0.8
193.15878	1.5
211.11392	0.8
211.17046	1.4
219.06836	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.2058
Annotation	9Z,11E-Tetradecadien-1-ol
Peak:m/z	Relative Intensity
53.03953	1.2
55.01902	0.4
55.05518	19.8
56.96570	10.1
57.03442	1.0
57.07084	4.0
65.03947	1.7
67.05511	63.6
69.07076	39.7
69.46065	0.4
69.76187	2.4
71.05000	1.3
71.08648	1.6
73.95491	0.3
75.61698	0.4
79.05496	6.3
81.03439	1.8
81.07066	56.0
83.04996	1.1
83.08630	14.7
83.09123	0.8
84.96042	1.0
85.06541	3.1
86.06096	0.4
91.05458	2.0
93.07049	4.9
95.04977	1.2
95.08617	100.0
96.60422	0.4
97.06573	0.6
97.10178	8.5
97.99193	3.0
98.06087	0.5
99.08091	2.3
105.07041	1.0
107.08603	0.7
109.10168	26.7
109.33153	0.4
111.11736	5.2
116.00229	1.1
119.08578	0.9
123.04510	0.4
123.11720	7.8
125.02376	0.3
127.07510	0.4
133.10136	1.0
135.11725	0.5
137.09596	0.5
137.13281	2.6
147.11751	0.5
151.11203	0.5
154.07707	0.4
155.08566	0.9
162.02687	0.5
168.02376	0.4
169.10216	0.9
170.47890	0.5
179.09120	0.7
181.10120	0.5
193.19521	1.0
196.12505	0.6
205.98863	0.5
211.07587	0.9
211.09560	0.8
211.11311	1.0
211.13000	0.5
211.14841	1.0
211.16765	0.4
211.20555	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.2057
Annotation	9Z,11E-Tetradecadien-1-ol
Peak:m/z	Relative Intensity
55.05271	1.4
55.05514	24.3
56.34802	0.9
57.03429	0.8
57.07079	6.3
65.03934	1.2
66.07732	0.7
67.05508	65.5
69.07072	40.3
69.23601	0.8
71.05010	1.4
71.08649	1.2
71.15350	1.5
79.05489	6.4
81.07059	58.4
83.08620	14.8
84.08080	0.9
85.06532	2.8
91.05482	1.5
93.07069	4.8
95.04942	1.8
95.08612	100.0
96.08905	0.8
97.10177	8.2
97.67772	0.7
99.08098	2.3
107.08562	1.0
109.10160	29.3
111.11722	4.3
119.08567	1.0
123.11729	8.0
133.10107	0.9
137.13283	2.8
151.14795	1.0
193.19554	1.0
205.98665	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
54.21162	0.7
55.05515	19.8
56.05065	0.7
57.07085	4.3
61.49144	0.6
65.03954	1.7
67.05510	61.6
67.91807	0.7
69.07074	39.6
71.04994	2.1
71.08613	1.0
71.15705	1.4
74.45277	0.7
79.05505	6.3
79.90730	0.7
81.03438	1.1
81.07066	55.9
83.04993	0.9
83.08633	10.3
85.02880	0.8
85.06557	4.8
91.05460	2.1
93.07049	4.9
95.04977	1.8
95.08615	100.0
97.06521	0.8
97.10191	8.4
99.04464	1.3
99.08102	3.0
105.07024	1.4
107.08607	2.1
109.06533	1.1
109.10168	26.6
111.11739	3.8
119.06136	0.8
119.08597	2.0
121.10078	0.8
123.08073	0.8
123.11710	6.4
125.02397	1.0
133.10162	1.5
135.11732	2.5
137.09671	0.8
137.13266	2.5
151.14828	1.2
167.07071	0.8
169.10175	0.8
175.11229	0.9
193.08571	0.9
211.09639	0.9
211.14891	1.2
211.16862	1.0
211.20638	1.2
212.11945	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.2056
Annotation	(E)-3,7-Dimethyl-1-(2-methylpropoxy)-2,6-octadiene
Peak:m/z	Relative Intensity
53.03938	1.3
55.05515	21.0
57.03453	0.8
57.07077	5.4
65.03949	1.2
65.66215	0.6
67.05512	64.0
69.07075	38.8
69.26936	6.4
71.04995	1.3
71.08612	1.2
79.05510	5.6
81.03432	1.3
81.07064	54.1
83.08628	14.8
85.06535	3.8
91.05486	2.1
93.07047	5.8
95.04992	1.5
95.08616	100.0
97.06571	0.9
97.10171	7.5
98.06068	1.0
99.04466	0.9
99.08110	2.8
104.46782	0.6
105.07023	1.1
107.08572	1.8
108.62457	0.9
109.06512	0.7
109.10169	27.6
111.08057	0.8
111.11729	3.8
119.08600	1.5
123.11722	6.8
131.08575	0.7
133.10136	0.8
135.11736	1.3
137.13254	3.3
147.11794	0.8
186.02728	0.8
211.14812	1.3
211.17029	0.8
211.20667	1.6
212.09308	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03947	4.4
55.05518	28.7
56.96575	12.7
57.03432	13.7
57.07068	6.5
59.05005	6.1
65.03946	4.2
67.05511	49.9
69.03436	19.2
69.07076	21.7
69.31522	23.7
71.04995	20.7
73.53471	2.8
79.05506	13.9
81.03409	15.0
81.07063	43.0
83.04974	15.8
83.08621	23.7
85.02922	2.7
85.06545	27.8
91.05472	17.8
93.07053	28.2
95.04375	3.7
95.04977	59.8
95.08614	72.2
96.08924	3.6
97.06509	6.8
97.99117	2.5
98.20725	4.7
99.04447	21.0
99.08101	86.8
101.06006	7.0
103.97846	2.4
105.07048	18.6
107.08592	33.4
108.08904	3.0
109.06522	18.6
109.10162	100.0
111.08081	7.2
113.05999	4.6
113.09607	4.2
115.05491	2.3
119.08595	37.0
121.10147	14.4
123.04433	11.5
123.08073	15.8
123.11671	15.0
125.09627	17.2
127.07549	10.2
131.08588	5.2
133.10141	48.4
135.11708	54.3
137.05983	4.0
137.09627	46.6
139.03952	3.0
139.11174	6.6
147.11678	10.2
149.05933	4.5
149.09569	3.4
149.13263	4.5
151.03915	4.9
151.07570	4.7
151.11188	9.7
151.14873	10.0
153.12779	7.0
155.03404	7.9
155.08627	4.9
155.10678	32.6
157.10066	2.5
165.09131	5.9
165.12746	5.2
165.16380	3.9
167.07059	21.9
168.02597	3.8
169.08734	2.8
169.10121	6.5
175.14833	37.3
181.08611	3.3
181.10086	3.9
183.11664	2.9
193.08678	15.2
193.12276	5.7
193.15926	26.5
196.12563	2.3
211.07677	3.2
211.09625	9.4
211.11436	3.3
211.13065	3.3
211.14842	8.6
211.16928	28.7
211.18790	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03949	1.9
55.01876	1.6
55.05512	17.8
56.96564	2.8
57.03433	3.1
57.07071	4.4
58.93092	1.4
59.05002	4.6
65.03944	2.3
67.05508	27.9
69.03403	3.7
69.07069	16.2
69.62677	8.6
71.04999	15.5
79.05496	9.3
81.07063	30.8
83.04996	9.0
83.08621	12.0
85.06525	8.9
91.05488	15.6
93.07046	26.1
95.04974	100.0
95.08055	3.2
95.08614	35.7
97.06536	4.8
98.21492	2.1
98.97569	2.5
99.04458	8.2
99.08095	51.3
101.06038	3.4
105.07050	22.8
107.08603	21.2
109.06520	20.1
109.10157	55.1
111.08097	3.3
111.10909	1.5
119.08578	20.4
121.10143	6.4
123.04410	3.0
123.08080	4.5
123.11701	8.4
125.06024	1.8
127.07504	2.9
131.08546	3.0
133.10135	75.6
135.11694	19.8
137.06000	5.4
137.09622	50.0
147.11679	13.2
149.13277	2.6
151.07552	2.1
151.11189	38.3
151.14694	2.3
153.12788	2.3
155.07082	8.5
155.10687	26.0
165.12743	4.7
165.16463	1.9
167.07066	5.1
175.11211	6.8
175.14835	17.3
183.93877	1.3
187.87640	1.4
193.08594	1.9
193.12239	13.2
193.15923	14.9
211.11584	2.3
211.13452	7.3
211.16959	29.9
230.54161	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
55.01854	1.8
55.05516	15.2
57.07063	5.1
59.04995	2.5
62.23725	1.5
67.05508	30.7
69.03442	11.3
69.07076	15.5
70.93969	2.2
70.94295	1.8
71.04984	3.1
79.05495	6.1
81.07059	31.4
83.04984	10.8
83.08625	8.7
85.06539	4.0
91.05480	4.7
93.07038	12.6
95.04961	3.5
95.08614	38.5
97.06541	2.5
97.10184	3.8
99.08089	5.5
102.45844	1.9
105.07050	9.4
107.08604	28.0
109.06552	11.4
109.10162	100.0
110.10530	1.4
111.08098	3.7
119.08584	23.1
121.10139	13.1
123.08075	16.6
123.11729	11.8
125.09662	3.7
131.08589	1.9
133.10143	21.3
135.11700	69.9
137.09619	19.4
138.10397	2.3
139.11176	3.2
149.13286	5.3
151.11192	14.5
151.14813	10.7
153.12764	3.4
175.14833	19.7
193.15933	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
52.16957	1.2
53.03936	1.6
55.01870	3.0
55.05515	21.8
56.05848	2.6
57.03435	2.7
57.07073	4.0
59.04986	5.0
65.03938	1.2
65.64498	1.2
67.05175	2.1
67.05508	26.6
67.05859	0.9
69.03423	3.6
69.07069	10.6
69.24885	1.2
71.04999	13.7
71.25552	1.6
71.25909	1.9
76.57625	1.2
79.05508	7.6
81.07064	28.9
83.04970	9.1
83.08625	11.8
85.06542	17.1
91.05490	10.9
93.07048	18.5
95.04976	35.6
95.08617	47.0
97.06563	6.2
99.04465	13.5
99.08100	100.0
100.07578	1.8
101.06012	3.9
101.11566	2.3
105.07047	8.8
107.08604	16.1
109.06541	6.1
109.10165	61.1
111.08104	6.6
113.05997	3.1
113.09596	1.7
119.08593	17.2
121.10154	9.9
123.04392	2.1
123.08067	8.0
123.11729	8.6
125.09634	6.2
127.07553	3.9
127.11164	3.1
133.10133	15.1
135.11702	18.9
137.09627	25.1
147.11734	7.0
149.13342	2.9
151.07494	1.7
151.11180	4.4
151.14867	7.4
153.12706	2.6
155.10678	24.8
157.10147	1.6
165.12743	2.0
165.16415	2.2
167.07014	2.3
175.11122	1.5
175.14833	13.6
175.70151	1.4
179.06984	1.7
183.15787	10.0
183.92012	1.4
193.08632	3.9
193.12224	2.4
193.15869	17.8
211.15155	2.5
211.16959	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03945	1.3
55.01873	1.4
55.05271	0.9
55.05516	11.7
56.96559	2.5
57.03426	2.4
57.07072	2.5
59.04992	1.8
65.03940	1.1
67.05180	1.4
67.05510	20.7
67.96061	0.8
68.39447	0.8
68.88509	0.7
69.03416	3.6
69.07072	6.5
69.85821	3.9
71.04990	5.9
79.05496	4.5
81.03400	2.2
81.07056	12.2
83.04981	5.0
83.08625	8.8
85.02891	1.5
85.06527	3.9
91.05473	3.7
93.07053	9.8
94.07305	0.7
95.04977	100.0
95.08614	20.5
97.02887	1.0
97.06535	4.4
97.10173	1.3
98.20719	0.7
98.97563	2.7
99.04461	6.3
99.08099	46.1
101.06022	3.1
103.05476	1.2
105.07020	2.5
106.27818	0.7
107.08604	10.8
109.06519	3.3
109.10162	40.2
110.10543	0.8
110.97598	0.9
111.08089	3.3
113.06000	2.3
113.09642	1.2
119.08586	7.8
121.10146	4.4
123.04523	0.9
123.08083	2.3
123.11716	4.1
125.09692	1.4
127.11198	1.6
128.98630	0.7
130.37816	0.7
131.04948	0.9
133.06508	1.1
133.10139	5.6
135.10696	1.3
135.11705	13.5
137.06015	0.9
137.09624	48.8
139.11188	1.5
145.02834	0.9
147.63719	0.9
149.06000	1.2
149.13290	1.3
151.11192	3.1
151.14815	1.5
152.18141	0.8
153.01852	1.6
153.07027	1.2
153.12737	2.3
155.10677	25.2
163.03928	3.1
165.16426	1.2
167.07077	4.8
167.08272	0.7
175.14830	7.1
193.10175	0.8
193.12198	0.9
193.15907	13.7
196.09013	0.9
211.05980	0.9
211.09476	1.1
211.11295	1.9
211.16949	32.8
229.50270	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1331
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03944	6.2
53.14822	0.9
55.01878	7.5
55.05517	48.3
56.96568	9.5
57.03440	14.4
57.07072	3.2
59.05014	2.2
65.03950	2.7
67.05512	44.7
67.05875	2.3
68.99797	1.8
69.03433	12.4
69.07075	14.6
70.42338	3.6
71.05009	8.1
79.05503	42.5
81.03426	100.0
81.07066	51.9
81.07439	0.8
83.04989	54.5
83.08144	2.4
83.08627	37.1
84.96055	1.3
85.02898	2.0
85.06545	24.0
86.51859	1.1
87.04491	1.3
91.05494	34.7
93.07057	24.6
95.04979	38.6
95.08617	25.5
97.02937	5.5
97.06532	7.3
97.10166	11.1
97.99215	1.8
98.97592	2.1
99.04496	2.7
99.08108	6.3
105.07038	29.0
107.04966	6.3
107.08609	16.0
109.06529	15.1
109.10172	12.2
111.04459	4.1
111.08092	11.1
113.06049	2.4
115.05482	2.0
116.98563	1.3
117.07001	2.3
119.01913	1.3
119.04922	1.9
119.08593	25.6
121.06540	2.5
121.10150	12.9
123.04440	9.4
123.08064	9.6
123.11737	5.4
125.02370	1.6
125.09663	5.9
127.03941	2.3
127.07573	9.8
128.98618	1.1
129.07010	15.5
131.08574	11.0
133.06502	3.3
133.10147	16.8
135.11694	5.5
137.06029	1.5
137.09616	6.2
139.03879	1.8
139.11169	2.1
141.06984	1.4
142.07785	3.4
145.10136	1.7
146.02284	1.0
147.08061	4.5
147.11693	17.2
149.09607	7.9
149.13284	1.1
151.03931	2.5
151.07565	3.2
151.11197	2.0
152.78604	1.0
153.05458	2.1
155.03424	3.5
155.08562	3.1
157.10135	15.0
163.14825	2.5
164.04784	1.3
165.05495	1.6
165.09146	4.2
165.12788	3.2
167.07063	9.3
167.10815	1.8
169.08759	1.9
169.10143	4.8
175.07544	1.8
175.11205	17.6
175.14850	3.6
181.08650	1.0
183.11652	2.4
193.08632	19.1
193.12276	36.4
193.15921	3.1
196.12570	2.6
211.05991	1.1
211.07748	2.1
211.09531	7.4
211.11339	1.7
211.13130	13.7
211.14934	6.7
211.16957	3.7
214.31091	1.0
225.88631	1.0
229.07516	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	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
55.01873	13.4
55.05525	29.4
55.27365	3.4
56.96566	17.9
57.03450	7.2
67.05510	51.7
69.03417	5.3
69.07075	21.8
70.79402	10.1
71.04995	10.5
79.05501	42.9
81.03426	18.5
81.06588	5.4
81.07068	100.0
83.04985	12.8
83.08634	15.0
84.96075	4.7
85.06546	7.7
91.05495	73.6
91.06026	6.6
93.07065	25.9
95.04995	20.6
95.08614	23.6
97.02886	3.2
97.06517	21.9
97.99168	5.0
99.08093	7.3
105.07042	57.6
107.04954	5.6
107.08610	13.8
109.06548	14.3
109.10117	8.1
111.08104	5.8
113.06003	5.7
114.75481	3.4
119.04984	4.5
119.08583	42.8
121.10178	25.9
123.04436	5.8
123.08061	9.0
123.11725	29.6
124.10744	3.6
127.07607	5.1
129.07021	19.1
131.08597	14.8
133.10152	44.4
135.11742	5.5
136.18674	3.2
137.09630	5.4
137.13274	6.1
147.11700	93.9
149.09683	9.8
151.07652	3.4
155.10646	4.5
157.10135	29.2
165.12766	28.9
167.07164	5.0
167.10767	3.7
169.10193	6.0
175.11220	34.2
193.08699	6.2
193.12315	16.5
203.06065	4.4
206.96895	3.5
211.11420	5.1
211.13263	14.1
211.15010	4.3
222.52951	3.9
228.87137	3.9
229.07390	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03939	3.6
53.33092	1.4
55.01878	15.5
55.05516	22.0
56.96561	3.6
57.03437	3.9
57.07074	2.3
64.09612	1.7
67.05181	2.9
67.05511	43.4
69.03419	4.7
69.07074	20.7
71.04988	7.8
71.09067	3.3
71.33686	1.4
79.05494	24.2
81.03427	14.2
81.07065	100.0
83.04996	12.8
83.08621	16.5
85.06549	8.2
91.05490	36.9
93.07051	20.5
95.04979	11.3
95.08614	28.9
97.06537	11.2
97.10160	1.8
99.04415	1.7
99.08106	10.1
105.07040	42.4
107.08604	13.1
109.06522	9.1
109.10152	8.0
109.97968	1.6
111.08080	2.7
119.08588	40.4
121.10138	23.3
123.04467	1.7
123.08070	6.0
123.11723	28.9
125.05968	1.6
125.09623	3.1
127.07542	2.6
129.07034	7.6
131.08571	4.4
133.10147	17.5
135.11682	3.0
137.09596	2.7
142.07785	2.1
143.08662	1.7
147.11697	54.5
149.09659	2.0
151.11194	2.2
155.10669	2.0
157.10162	8.5
165.12756	10.9
169.10143	1.7
175.11208	8.2
175.14752	1.9
193.12216	8.6
193.15970	1.9
211.11229	2.4
211.13118	3.3
211.14952	2.6
211.16852	3.3
223.03484	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1331
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
51.05599	1.0
53.03942	4.4
55.01872	5.1
55.05514	46.1
56.27309	1.1
56.96571	6.0
57.03444	9.2
57.07074	1.1
59.59200	1.0
65.03928	2.2
67.05511	32.3
68.99762	1.1
69.03433	11.1
69.06792	1.0
69.07078	13.2
70.93892	2.3
70.94225	1.8
71.04717	0.9
71.05000	9.8
79.05499	34.8
81.03423	100.0
81.06579	2.2
81.07060	41.1
82.03773	1.1
83.04987	50.9
83.08623	32.2
85.02908	2.3
85.06528	3.5
91.05487	38.0
93.07050	21.9
95.04975	34.3
95.08607	19.2
97.02875	4.1
97.06536	6.3
97.10169	8.4
99.04456	1.6
99.08111	2.1
105.07040	29.6
107.04971	7.6
107.08591	13.8
109.06495	6.3
109.10165	7.8
111.04453	2.6
111.08076	13.7
113.06059	1.4
115.05424	1.9
117.07008	1.9
119.04871	1.3
119.08590	25.4
121.06498	3.3
121.10131	9.3
121.74657	1.0
123.04423	1.4
123.08089	5.7
123.11674	2.7
124.48730	1.1
125.09608	2.7
127.07568	2.3
128.06219	1.1
129.06995	13.1
131.08566	12.0
133.06487	4.7
133.10138	21.0
135.11696	9.1
137.06020	1.2
137.09601	3.2
139.11174	1.9
141.07016	1.1
142.07770	3.7
145.10095	2.2
147.08047	4.0
147.11693	16.0
149.09616	9.2
151.11217	1.3
155.08546	2.0
155.10588	1.1
157.10121	15.2
163.14803	2.5
165.12758	4.0
167.07025	4.1
169.10123	2.1
174.00806	1.5
175.11229	14.7
175.14809	7.8
193.12248	35.0
193.15894	1.4
196.12387	1.6
201.53542	1.2
211.11295	2.5
211.13286	12.1
211.14886	4.1
211.16882	2.0
219.82817	1.3
229.07497	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1331
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03947	1.8
55.01878	13.2
55.05517	20.1
56.96568	7.8
57.03441	7.7
57.07079	2.6
58.25510	0.5
59.04999	1.5
65.03943	2.0
67.05510	52.2
69.03433	2.8
69.07072	23.1
69.07457	0.9
69.47195	2.0
69.47618	2.3
71.04995	8.1
77.03957	0.8
79.05496	33.0
81.03426	4.5
81.07063	100.0
82.07374	0.8
83.04985	13.9
83.08621	10.7
84.96043	0.8
85.02906	1.7
85.06550	10.8
87.04477	0.9
91.05486	54.1
93.06472	1.4
93.07054	26.3
94.44601	0.6
95.04977	9.2
95.08612	34.0
97.06538	21.5
97.10169	1.9
98.20734	1.1
98.97591	1.2
99.04467	1.7
99.08098	5.7
101.06013	1.5
103.05493	1.0
105.07038	53.5
106.07419	0.7
107.04942	2.9
107.08602	21.5
109.06524	17.4
109.10162	32.1
111.04435	1.5
111.08088	13.2
112.11246	1.2
113.06020	4.1
113.09631	0.8
113.11594	1.6
115.05459	2.3
115.07584	0.8
117.07050	2.5
119.08588	54.2
121.06487	1.1
121.10152	31.8
123.04455	2.5
123.08078	15.2
123.11714	34.7
125.02419	0.9
125.06012	1.1
125.09657	3.9
127.07560	2.5
127.11197	0.9
128.06195	1.3
129.07011	13.8
131.08568	7.3
133.06512	1.8
133.10144	23.0
135.11696	15.6
137.05988	2.0
137.09630	26.2
137.13249	2.7
138.10434	2.3
139.03889	0.9
139.11192	1.7
139.26425	0.6
140.01271	0.7
141.06993	1.1
142.07759	2.9
144.98030	0.7
145.10141	2.4
147.08032	1.8
147.11696	83.4
149.09615	5.7
149.13280	3.0
151.07608	0.8
151.11194	3.4
151.14821	2.4
153.01973	1.4
153.07034	0.6
153.12718	0.9
155.08588	1.7
157.10144	23.8
158.01265	3.4
163.11209	1.0
165.12761	19.5
165.16476	1.0
167.01810	4.1
167.07059	7.2
167.10725	0.9
168.05696	1.1
169.10172	2.0
172.00999	1.8
175.11200	22.8
175.14812	14.4
176.02310	0.7
179.07062	1.2
181.01555	2.8
181.10187	1.0
183.03084	0.8
188.02383	3.1
193.08633	2.2
193.12245	6.0
193.15887	10.7
196.12566	0.9
197.02843	6.0
197.53050	1.0
199.53172	0.9
211.07623	1.9
211.09590	1.1
211.11513	0.7
211.13316	2.0
211.14874	2.1
211.16827	7.1
211.20708	0.6
229.14394	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03935	1.3
55.01869	2.2
55.05516	11.5
56.96550	1.2
57.03429	2.9
57.07075	5.3
59.04996	2.3
65.03937	1.5
67.05513	20.7
69.03429	2.7
69.07075	26.3
70.79916	1.1
70.80251	1.7
71.04994	9.6
77.03910	0.9
79.05497	10.8
81.03416	2.0
81.07063	30.0
83.04981	7.9
83.08624	10.4
85.02903	1.0
85.06546	9.2
91.05483	25.5
91.06009	1.6
93.07050	31.3
95.04978	43.9
95.08615	19.4
97.06562	4.2
97.10165	1.1
98.97575	1.2
99.04476	5.4
99.08099	31.0
99.08746	1.6
105.07041	31.2
107.04975	1.3
107.08604	16.1
109.06523	24.7
109.10162	27.2
111.08097	3.9
113.06030	3.3
113.09640	1.2
119.04950	0.8
119.08595	13.4
121.10165	4.2
123.04403	1.9
123.08079	4.4
123.11730	6.1
125.06006	1.7
125.09621	2.1
127.07584	2.3
127.11195	1.6
127.93287	0.9
129.07037	0.9
131.08588	7.7
133.10141	100.0
134.10486	1.4
135.08015	1.1
135.11717	10.0
137.05986	7.7
137.09630	17.5
141.05467	1.1
147.11696	19.3
147.12796	1.6
149.09625	2.4
149.13264	0.9
151.03960	1.2
151.07582	4.8
151.11192	60.2
153.12854	1.3
155.07054	15.6
155.10675	14.7
157.10133	1.2
163.14859	2.7
165.09099	1.1
165.12782	4.2
167.07108	2.1
169.08655	1.2
175.11192	9.2
175.14816	5.0
179.03400	4.9
180.56093	0.7
193.12260	20.5
193.15898	10.9
211.13329	14.6
211.16924	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	211.0967
Annotation	Anserinone B
Peak:m/z	Relative Intensity
53.03944	1.9
55.01865	1.8
55.05516	8.8
56.96565	5.9
57.03438	10.0
57.07077	6.7
65.03950	5.9
67.05509	54.9
68.99803	5.7
69.03418	4.0
69.07062	3.9
70.02271	4.6
71.04990	4.0
79.05495	9.3
81.03413	4.1
81.07061	26.8
83.04992	5.7
83.08624	4.1
85.02916	1.6
85.06550	100.0
91.05494	9.5
93.07066	9.1
93.25628	1.0
95.04977	8.8
95.08605	11.5
97.06503	2.2
97.99212	2.0
98.21420	1.6
98.97591	6.2
99.04482	1.4
99.08104	7.2
105.07033	7.0
107.04979	1.2
107.08600	7.0
109.02873	1.2
109.06530	41.8
109.10167	5.7
111.00795	1.4
111.04490	1.8
111.08086	2.2
116.98624	3.0
119.08586	11.2
121.06520	1.8
121.10146	2.9
123.04440	47.1
123.08076	21.4
123.11739	3.0
125.09636	10.7
127.03933	10.9
127.07565	50.9
128.07919	1.3
133.10121	6.6
135.11705	6.2
137.05952	6.9
137.09625	4.0
139.03934	12.0
139.11188	1.8
147.08060	4.6
147.11693	3.0
149.05966	3.5
151.03923	7.8
151.07539	9.5
151.11230	2.6
153.01871	1.7
153.05484	3.2
155.03395	15.7
155.61763	1.1
157.10104	1.7
160.05171	2.3
163.03961	1.8
164.04694	5.3
165.05489	3.2
165.06918	1.2
165.09126	20.8
165.10472	1.3
165.12778	1.1
167.07071	8.9
167.10678	2.5
169.08624	7.7
169.10097	2.7
174.31633	1.0
175.07564	9.6
175.14824	4.3
177.00772	1.2
193.08621	94.1
193.15938	2.5
196.65425	1.3
211.07683	2.0
211.09668	44.0
211.13074	2.2
211.14903	3.7
211.16757	2.0
217.07491	1.3
223.69081	1.1
229.07419	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0967
Annotation	Anserinone B
Peak:m/z	Relative Intensity
51.55535	0.8
51.71297	0.8
55.01866	1.4
55.05504	6.2
57.03442	7.9
57.07076	4.7
58.20205	0.9
65.03947	6.2
67.05509	50.3
68.99790	7.9
69.03413	2.5
69.07055	1.6
69.34975	8.3
71.04989	2.1
78.21487	0.9
78.53760	0.9
78.88892	0.8
79.05483	4.1
81.03395	1.9
81.07066	18.6
83.04988	2.1
83.08623	1.3
85.06550	100.0
91.05476	2.6
93.07059	1.2
95.04978	4.6
95.08622	6.9
97.10223	1.0
99.08107	6.0
101.95170	0.8
105.07030	2.4
107.04980	1.2
107.08585	4.2
109.02838	0.9
109.06526	43.2
109.10164	3.1
111.04403	1.3
119.04917	0.9
119.08583	3.5
121.06534	2.1
121.10152	1.0
123.04440	54.3
123.08074	19.5
125.09649	10.2
126.03047	0.9
127.03936	10.7
127.07566	50.4
129.07011	1.9
135.11696	2.2
137.05978	7.2
137.09636	2.6
139.03912	12.2
147.08070	3.2
149.05957	3.8
151.03900	6.8
151.07532	10.7
151.11134	0.9
152.94055	0.8
153.05460	4.5
155.03404	16.1
160.05188	1.7
163.03941	1.1
164.04689	7.9
165.05447	3.7
165.09131	21.1
167.06998	3.0
169.08603	6.3
175.07568	11.0
175.14738	1.3
179.06990	1.2
193.08617	98.9
194.08995	1.6
211.09666	46.8
211.14912	1.2
211.16905	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0967
Annotation	Anserinone B
Peak:m/z	Relative Intensity
53.03949	2.0
55.01876	4.4
55.05515	16.4
56.96292	3.2
56.96569	52.6
57.03437	23.6
57.07072	6.1
59.88475	1.8
65.03950	4.6
67.05511	63.6
67.13500	1.6
68.99783	6.2
69.03427	4.9
69.07072	11.2
69.36275	14.3
71.05000	4.4
79.05492	18.1
80.76157	2.0
81.03429	14.0
81.07066	41.9
83.04987	11.9
83.08627	9.0
84.96035	7.4
85.02919	10.2
85.06551	100.0
91.05486	14.3
93.07055	20.6
95.04977	15.4
95.08615	26.5
97.02863	2.4
97.06536	7.2
97.10178	2.0
97.99182	15.4
99.04491	2.7
99.08107	9.6
105.07054	15.0
107.04969	11.0
107.08599	11.8
109.02863	2.8
109.06529	42.2
109.10166	15.9
111.08072	3.1
113.06002	3.5
116.00233	9.7
119.08600	12.5
119.95763	1.8
121.06508	3.7
121.10148	11.4
123.04437	41.0
123.08072	21.3
123.11710	5.9
125.02348	3.1
125.05975	3.3
125.09624	9.1
127.03891	11.6
127.07568	50.5
128.06293	3.0
129.07019	5.2
131.08592	3.9
133.06497	2.8
133.10149	6.9
135.11679	3.4
137.05988	13.2
137.09622	5.5
137.13240	7.3
139.03958	11.6
139.11200	3.7
147.08026	4.4
147.11702	9.4
149.05954	2.1
149.09695	2.8
151.03909	7.5
151.07555	13.1
151.11230	4.1
153.05469	4.6
155.03401	15.9
155.08568	2.1
157.10110	2.8
160.05182	3.0
163.97722	2.1
164.04701	5.8
165.05519	3.5
165.09131	17.3
165.12782	2.8
167.07031	7.9
167.10675	2.7
169.08640	5.4
169.10126	3.6
169.12299	2.7
175.07585	8.3
175.11220	5.4
175.14850	3.3
193.08615	88.8
193.12234	10.7
193.15910	3.8
196.12505	3.3
205.98824	2.1
211.05974	2.1
211.07928	1.6
211.09630	42.9
211.13237	11.2
211.15184	9.1
233.05072	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0967
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
55.01863	2.8
55.05517	7.1
56.96569	10.6
57.03441	5.2
57.07071	3.2
65.03931	4.0
67.05511	32.9
68.99799	9.7
69.03423	3.9
69.07056	3.6
69.54202	0.8
71.04971	2.7
71.05738	1.4
79.05499	6.1
81.03442	4.5
81.06583	1.5
81.07056	22.6
83.04974	3.6
83.08608	3.1
84.94637	0.9
84.96031	1.9
85.02905	1.9
85.06551	51.1
86.06111	1.0
87.17706	0.9
91.05484	6.1
93.07030	3.3
95.05001	5.3
95.08617	10.5
97.02923	1.7
97.06526	2.8
97.99174	2.9
98.97585	1.1
99.04466	1.6
99.08088	4.0
105.07044	6.6
107.04929	1.5
107.08596	5.4
109.02865	1.7
109.06525	36.4
109.10164	3.3
111.00809	4.3
111.04420	1.2
111.08089	1.4
116.00216	1.6
117.07035	1.1
119.08584	6.6
121.06480	1.9
121.10130	1.6
123.04441	40.7
123.05330	2.2
123.08074	21.1
123.11665	1.7
125.09632	7.2
127.03928	5.5
127.07559	26.2
129.06998	2.0
133.06454	2.0
133.10155	2.4
135.11719	1.0
137.05991	5.3
137.09624	3.9
139.03915	10.0
147.04413	1.7
147.08026	4.9
147.11740	1.7
149.05946	2.2
151.03928	10.4
151.07544	8.9
151.11212	1.4
153.05446	2.3
155.03404	11.1
155.08487	1.3
155.66325	0.9
160.05270	1.0
164.04695	4.3
165.05484	2.1
165.07780	2.0
165.09123	35.4
167.07085	4.5
169.04915	2.0
169.08575	5.3
169.10017	1.7
174.10445	0.9
175.07545	8.6
175.14763	1.2
181.10025	0.9
193.08621	100.0
211.07594	2.1
211.09644	30.4
211.14905	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	211.0968
Annotation	Anserinone B
Peak:m/z	Relative Intensity
55.01880	1.4
55.05517	6.9
57.03444	7.0
57.07079	4.9
65.03941	5.0
67.05510	50.1
68.99791	7.0
69.03435	1.9
69.07082	0.8
69.89189	3.0
71.04996	1.4
79.05505	4.7
81.03411	1.5
81.07062	17.3
83.04996	1.7
83.08616	1.1
85.02913	0.9
85.06551	100.0
86.06870	0.8
91.05489	2.4
91.89301	0.6
93.07084	0.7
95.04469	0.6
95.04966	4.0
95.08599	3.8
99.04471	1.2
99.08103	7.3
105.07027	2.4
107.04979	0.8
107.08599	3.2
109.02848	1.0
109.06529	41.1
109.10165	2.0
111.00822	1.7
119.08588	2.6
121.06530	2.0
123.04441	50.1
123.08076	14.5
125.09637	7.6
127.03941	10.1
127.07567	51.2
129.07040	1.0
135.04428	0.8
137.02347	0.8
137.05992	5.5
137.09587	1.9
139.03922	11.7
147.04398	0.6
147.08069	3.1
149.06003	2.4
151.03934	5.7
151.07564	9.1
153.01849	0.8
153.05495	5.1
155.03406	15.3
160.05231	2.3
163.03940	1.4
164.04674	6.3
165.05505	3.3
165.09128	20.2
167.07034	2.5
169.08582	6.2
175.07555	9.3
193.08623	98.0
194.09058	0.9
211.09669	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	211.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.01860	1.3
55.05509	0.6
56.96344	0.4
56.96570	5.2
57.03421	1.4
57.07078	0.5
61.02917	0.7
65.03931	1.0
67.05515	2.2
68.99789	0.5
69.03426	2.1
69.07059	1.0
70.06577	0.8
71.04990	0.9
71.54926	0.8
72.04519	1.1
73.02924	0.9
77.03936	0.8
78.04352	0.3
78.04720	3.1
79.05493	3.1
80.05003	0.5
81.03411	1.8
81.07056	2.2
83.04980	1.4
83.08625	0.5
84.08155	0.8
84.96039	0.6
85.02907	1.6
85.06546	0.9
90.05562	4.3
91.05486	11.3
93.07046	11.3
95.04968	5.4
95.08613	1.5
97.02886	1.8
97.06547	0.9
98.97598	2.9
99.04458	1.6
99.08096	1.3
103.05479	10.4
105.04504	1.2
105.07040	4.5
106.04169	2.5
107.04978	1.2
107.08592	1.3
109.02887	1.1
109.06519	1.5
109.10162	1.5
110.97575	1.5
112.99145	0.4
115.05444	0.5
116.98647	1.8
119.04946	1.6
119.08587	1.3
120.08083	0.5
121.02943	0.4
121.06516	19.4
122.03666	0.7
123.04441	9.8
123.08054	0.7
123.11681	0.6
124.05218	2.9
124.07613	1.0
125.02354	1.0
125.05988	0.7
128.98607	1.4
131.06030	0.9
133.02905	0.5
133.06500	3.3
133.10153	0.8
134.03587	0.6
134.65787	0.5
134.99678	0.5
135.04462	0.8
137.06009	2.3
137.09596	1.0
143.00169	0.6
145.96655	0.8
146.01282	0.9
146.99622	0.8
147.04353	0.6
149.05989	31.7
150.87753	0.4
151.03909	4.1
151.07558	1.2
151.11208	0.8
152.04680	2.1
152.07091	0.9
158.99719	0.6
161.04686	2.0
161.06009	3.7
161.54872	0.5
163.97728	0.9
164.02324	1.2
165.05533	2.3
165.06703	0.4
165.09148	0.5
166.04994	1.8
166.06279	6.4
166.08586	0.6
167.07051	100.0
168.07390	1.0
170.05276	0.7
170.99698	0.7
177.04366	0.6
179.07082	0.5
180.07793	2.3
181.08604	27.0
181.98766	0.5
183.06503	0.5
187.61493	0.4
189.00708	0.9
193.05069	1.0
193.08635	1.2
193.15933	0.5
194.04515	1.0
201.00735	0.6
205.98772	1.2
210.56302	1.7
211.05862	1.0
211.07782	0.7
211.09674	2.8
211.11017	0.5
211.11432	0.7
211.16893	0.6
212.09283	0.7
219.01814	1.7
219.56830	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.6
53.03936	2.2
55.01865	2.1
55.05507	1.6
56.96565	5.1
57.03428	1.3
57.07050	0.7
61.46167	0.5
65.03928	0.8
65.58396	0.4
67.05494	2.0
69.03433	2.0
69.07068	1.2
70.06580	1.6
71.04987	1.1
71.54503	0.5
73.02910	1.0
77.03924	0.6
78.04714	4.2
79.05501	2.9
79.72560	0.6
81.03407	1.9
81.07070	2.6
83.04980	1.5
83.08633	0.5
84.08140	0.7
84.96042	1.0
85.02901	1.9
91.05486	12.2
93.07047	12.7
94.06566	0.7
95.04986	5.0
95.06068	1.1
95.08605	2.0
96.05760	0.7
97.02890	1.7
97.06507	0.6
97.99180	1.0
98.97594	3.1
99.04465	0.7
99.08084	1.2
103.05480	11.2
105.03394	0.8
105.04519	1.7
105.07043	4.6
106.04176	2.9
107.04949	2.4
107.08577	1.0
109.02906	0.8
109.06511	1.4
109.10153	2.6
110.02424	0.6
110.97558	0.6
111.08162	0.6
112.07557	0.7
115.05515	0.6
116.98620	1.4
119.01822	0.8
119.04935	1.7
119.08578	1.5
121.06516	17.9
121.10168	0.5
123.04445	11.0
123.08049	0.7
124.05238	2.7
125.02407	0.8
125.05965	1.3
127.03910	0.6
127.95718	0.6
128.98560	0.8
129.10164	0.5
131.04956	0.7
131.06027	0.8
133.06502	3.6
133.10150	0.9
134.03621	0.9
134.06032	1.3
134.99707	0.6
135.11711	1.3
137.05988	3.0
137.09674	0.8
144.08145	0.5
147.04407	0.7
149.05995	32.2
150.06493	0.6
151.03954	3.9
151.07539	0.7
152.04652	2.2
152.05936	0.5
152.07121	3.0
153.12798	0.5
154.94171	0.5
155.04674	2.1
155.10622	0.6
158.99690	0.8
161.05998	4.2
163.97736	1.7
165.05496	2.4
166.06247	6.3
167.07057	100.0
168.07454	1.5
168.95815	0.5
172.95348	0.5
175.11195	0.6
180.07768	2.3
181.08609	26.6
186.96820	1.0
189.00743	0.8
193.04918	0.6
193.08679	1.0
194.08104	0.8
204.97974	1.1
205.00040	0.5
205.98787	1.8
211.05856	1.8
211.09680	3.3
211.14574	0.8
211.16751	0.7
212.09033	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03941	3.3
55.01872	6.0
55.05514	4.9
57.03445	1.2
57.07072	2.4
59.04999	1.5
61.39183	0.7
65.03957	2.0
67.05515	5.1
69.03429	13.8
69.07067	5.6
69.88820	4.1
71.04997	2.9
75.04478	1.2
78.04729	2.0
78.41514	0.7
79.05495	5.6
81.03421	10.9
81.07059	11.7
83.04991	4.3
83.08621	2.1
85.02904	3.0
85.06556	1.2
91.05486	10.8
93.03420	3.3
93.07047	7.0
95.04971	15.4
95.08041	1.4
95.08614	14.0
97.06540	3.9
98.20688	0.9
99.04481	0.8
99.08095	1.4
103.05505	3.8
105.07037	6.0
106.04186	8.2
107.04968	2.1
107.07895	0.8
107.08606	14.6
109.06520	15.4
109.10162	3.8
111.04485	1.6
111.08086	2.5
115.05508	0.7
117.03395	1.2
117.07009	0.9
119.04952	1.6
119.08580	7.1
121.06507	11.4
121.10152	16.6
122.75468	0.8
123.08080	13.0
123.11699	7.4
125.05994	2.4
125.09631	2.1
131.04930	2.9
131.08582	2.4
133.10138	2.2
134.03644	1.9
135.08099	4.6
135.11708	2.4
137.05998	1.4
137.09627	3.1
137.13231	2.7
139.07552	2.3
145.02855	1.9
145.10150	1.6
147.04401	0.9
147.11696	4.6
148.05196	1.6
149.05991	13.1
149.09642	11.5
149.13258	7.6
151.11151	5.9
153.05473	1.1
153.09099	2.7
158.10942	0.9
159.04366	0.7
163.07594	1.7
163.14828	1.7
165.12761	100.0
167.07033	1.9
167.14299	1.3
173.13245	2.6
177.05513	6.8
181.08578	2.1
191.07071	3.5
191.14264	6.0
209.04378	2.0
209.06235	1.4
209.08063	6.0
209.09940	1.1
209.15369	42.1
210.15666	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60884	0.3
56.96565	0.4
62.06090	0.8
64.98515	0.3
69.18629	2.9
69.19035	0.7
72.04517	1.7
79.05501	2.5
90.98881	0.3
91.05485	3.9
93.07034	0.7
98.21011	1.5
103.05478	5.9
103.86232	0.3
104.97414	0.3
105.07041	8.6
107.04985	2.5
115.05455	0.4
117.05802	1.7
117.07026	3.5
118.05110	0.4
118.06565	3.9
119.07343	6.6
119.08595	0.9
120.08125	8.1
128.06247	1.3
129.07022	5.9
130.06551	0.6
131.04932	1.7
131.07317	1.5
144.08090	1.1
146.09668	7.2
149.05902	0.3
164.10730	100.0
165.11066	1.5
192.10185	1.0
210.11275	10.8
213.99510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01864	3.7
55.05520	6.4
57.06841	1.1
57.07075	10.4
59.04995	1.3
65.03940	1.1
67.05505	10.2
69.03434	22.7
69.07069	6.8
70.69225	2.9
70.97485	1.0
71.04996	2.3
79.05500	7.4
81.07059	11.8
83.04990	15.7
83.08639	1.3
85.06551	9.0
91.05477	8.6
93.07050	7.7
95.04966	3.9
95.08615	10.9
97.06544	3.1
99.04470	1.1
99.09875	1.2
105.07008	6.5
106.04191	3.2
107.08598	28.9
109.06523	13.2
109.10149	4.8
109.92683	1.1
111.08074	9.3
119.08572	5.2
121.06497	4.8
121.10162	12.7
123.08060	7.2
123.11713	6.3
125.09637	66.7
131.08560	7.3
133.10146	7.2
135.08057	15.8
135.11659	5.6
137.09607	2.4
143.08572	1.9
145.10130	4.0
147.11688	5.0
148.05164	1.4
149.05988	3.3
149.09630	7.1
149.13254	9.5
150.10419	1.8
151.11180	3.9
153.09100	14.0
157.92267	1.4
158.10924	2.6
163.11212	4.4
163.14854	6.6
165.12778	19.4
167.07050	2.9
173.13264	18.6
176.11957	1.8
177.05530	2.4
191.07095	1.2
191.14314	100.0
197.90210	1.4
209.08055	6.2
209.15375	99.1
210.15710	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.09030	1.2
53.03940	2.9
55.01872	2.8
55.05503	5.6
57.03428	2.4
57.07067	5.0
59.04988	2.2
65.03938	1.5
66.91941	1.4
67.05512	10.3
69.03439	15.1
69.07068	5.2
69.29841	11.9
71.05014	6.2
75.12615	1.1
76.74042	1.1
79.05499	7.9
81.03426	12.0
81.07066	17.1
83.04993	7.7
83.08641	3.2
84.22778	1.2
84.67303	1.4
85.06521	2.4
91.05498	9.6
93.03401	1.5
93.07056	13.4
95.04979	81.9
95.08611	17.3
97.06525	4.9
98.21537	2.7
99.03850	1.5
99.04463	19.9
99.08097	3.8
105.07036	10.7
106.04153	3.5
107.04950	1.7
107.08613	23.0
109.06524	39.9
109.10151	7.4
110.97625	1.2
111.08073	4.1
117.07021	3.8
119.08577	8.2
121.06490	5.7
121.10145	22.5
123.08069	14.2
123.11711	10.8
125.06010	1.7
125.09632	2.0
131.08566	5.0
133.10130	15.7
135.08058	9.3
135.11674	3.4
136.78101	1.2
137.05927	1.6
137.09619	4.3
137.13251	3.1
143.08615	1.5
145.10112	3.5
147.11685	5.5
149.05984	5.2
149.09636	14.3
149.13290	9.3
151.11205	10.4
153.09128	24.5
158.10899	2.2
163.11137	2.3
163.14857	4.2
165.12775	100.0
167.07024	2.4
167.14319	2.7
167.57027	1.6
173.13309	11.1
177.05568	3.3
191.10687	2.2
191.14319	13.6
209.04543	2.1
209.07948	7.6
209.15387	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	209.1538
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03941	2.2
55.01872	1.8
55.05518	7.0
57.03435	0.9
57.07073	3.4
59.04996	1.3
65.03922	1.0
67.05515	6.2
69.03433	12.2
69.07089	5.1
69.48038	5.0
71.04986	2.6
76.19073	0.8
77.12899	0.7
79.05502	4.5
81.03423	9.8
81.07062	11.4
82.05677	0.8
83.04996	9.0
83.08634	3.8
91.05495	5.6
93.07049	7.3
95.04978	22.4
95.08615	11.3
97.06520	2.4
97.10168	0.9
99.04460	4.1
99.08075	2.3
100.92570	0.9
105.07048	7.5
106.04168	1.7
107.04937	1.3
107.08598	15.3
109.06529	18.2
109.10173	3.0
110.07349	0.9
111.08099	2.5
116.27319	0.8
119.08589	8.1
121.06503	3.1
121.09322	1.4
121.10151	17.6
123.08086	12.0
123.11734	10.4
125.09651	1.9
131.08611	1.8
133.10147	3.8
135.08080	2.7
135.11699	3.4
137.09601	3.8
137.13271	2.3
145.10124	1.3
147.11742	4.6
148.05153	0.8
149.06010	1.4
149.09618	10.1
149.13255	6.5
151.11189	8.7
153.09102	4.7
163.11121	2.0
163.14832	2.0
165.12772	100.0
166.13121	1.2
167.14339	3.6
173.13283	2.9
177.05476	1.1
191.14331	5.7
209.08116	3.1
209.15388	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	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03940	1.1
55.01884	1.9
55.05517	5.3
55.20083	0.7
56.80141	0.9
56.96579	0.8
57.07084	8.0
59.04998	1.6
63.85899	0.8
65.03934	0.9
67.02240	0.7
67.05510	7.7
67.70990	0.7
69.03086	1.4
69.03437	19.2
69.07063	6.2
71.04972	1.3
77.59024	0.7
79.05496	7.6
81.07068	10.5
83.04986	16.1
83.08609	2.9
85.06561	7.0
88.99885	0.8
89.03946	0.9
90.66225	0.8
91.05486	6.9
93.03382	1.2
93.07055	8.0
94.69041	0.7
95.04429	0.7
95.04980	3.2
95.08617	9.9
97.06548	3.5
97.10147	0.7
99.08134	0.8
103.05474	1.2
105.07076	5.0
106.04163	3.4
106.55902	0.8
107.04945	1.6
107.08610	24.8
109.06537	11.2
109.10152	2.5
111.08093	9.9
117.07040	1.5
119.08583	4.4
121.06520	5.1
121.10159	11.2
123.08080	5.0
123.11709	4.9
125.05921	1.3
125.09644	58.4
131.04976	1.0
131.08565	5.8
133.10146	7.5
134.03625	1.2
135.08067	14.7
135.09021	1.6
135.11681	4.7
137.09604	1.9
137.13257	1.2
143.08531	1.7
144.09334	1.0
145.10139	3.5
147.11690	4.3
148.05246	1.0
149.06012	4.1
149.09639	9.0
149.13284	8.4
150.10448	1.5
151.11192	3.0
152.71523	0.8
153.09113	12.4
158.10928	4.0
161.09654	1.8
163.11176	4.8
163.14857	4.9
165.12758	19.7
167.07022	0.8
173.13275	18.0
176.11954	2.0
177.05469	2.1
181.08588	1.2
184.47995	0.8
191.14322	93.4
209.08084	2.3
209.15384	100.0
210.15791	0.9
224.26883	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.12897	2.5
53.03940	6.1
55.01871	9.4
55.05515	100.0
55.67519	2.4
56.96577	3.6
57.03434	5.8
57.07070	5.8
59.04979	4.0
67.05506	16.0
69.03442	26.0
69.07071	40.3
69.22516	5.3
69.22926	21.0
71.05003	13.3
71.05327	2.4
76.44595	2.5
79.05499	24.6
81.03427	3.6
81.07065	33.3
83.04989	97.8
83.08630	30.7
85.02924	2.7
85.06545	7.2
86.38654	2.6
91.05470	19.0
93.07045	34.9
95.04975	88.3
95.08614	18.7
97.06529	42.3
97.10159	7.0
98.21529	5.8
98.97581	3.1
99.04453	19.6
99.08093	3.9
103.05495	3.3
105.07030	21.3
107.04961	6.0
107.08601	53.5
109.06532	32.1
109.10167	32.7
111.08102	11.6
113.09638	3.5
119.08578	11.8
121.06506	13.2
121.10152	41.6
123.08073	4.6
123.11700	15.0
125.05994	4.0
125.09652	17.2
127.11199	14.4
128.06226	2.9
131.08575	28.2
133.10121	28.0
135.08080	11.1
135.11700	10.5
137.09790	2.7
139.23561	2.9
145.10133	13.5
147.11642	7.1
148.05302	2.8
149.05986	7.6
149.09630	21.3
149.13235	17.4
151.11191	30.8
153.05487	5.3
153.09109	25.1
163.11243	7.1
163.14824	9.7
164.61952	2.6
165.12761	3.1
166.06129	2.5
167.07080	6.9
167.14330	52.2
173.13275	14.8
177.05507	5.3
178.96329	3.0
191.10632	5.0
191.14317	34.5
199.22823	2.6
209.04523	2.4
209.08084	4.9
209.11859	18.5
209.15358	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03945	2.6
55.01874	5.1
55.05507	10.2
57.03434	5.1
57.07067	6.0
57.09024	1.4
61.02923	2.7
65.03936	3.5
67.05506	15.4
69.03430	9.8
69.07084	9.2
70.59737	3.1
70.60042	2.0
71.04995	23.4
79.05496	15.3
81.03419	4.4
81.07068	25.3
83.01333	2.8
83.04983	17.8
83.08623	7.2
85.02892	1.9
85.06553	13.6
91.05491	17.0
93.03404	1.7
93.07052	26.6
95.04974	55.2
95.08610	17.5
97.06544	17.9
97.10143	1.9
99.04459	40.0
99.08092	4.8
102.71638	1.6
103.05466	4.8
105.07032	22.6
106.04175	8.5
107.04958	3.7
107.08604	26.4
109.06525	100.0
109.10166	15.7
111.08099	10.0
113.09667	2.5
117.07009	3.3
119.05994	1.6
119.08585	23.5
121.06486	10.4
121.10146	27.8
123.08079	11.7
123.11695	6.5
125.05975	1.7
125.09631	7.6
131.08562	17.9
133.10143	49.6
134.03664	2.0
135.07126	1.8
135.08073	20.6
135.11674	3.7
137.09598	1.9
139.07518	5.1
139.11145	4.7
143.08554	2.3
145.10130	11.1
147.11716	7.0
149.06018	9.7
149.09648	8.9
149.13286	11.0
149.89134	1.5
151.11192	6.9
153.09114	27.1
158.10901	2.9
161.13271	15.8
163.07582	1.7
163.11217	4.4
163.14868	7.4
165.12708	2.4
167.07060	3.3
173.13269	27.7
177.05453	9.5
181.12262	1.7
191.07011	2.7
191.10701	3.5
191.14323	43.0
199.29156	1.5
209.08061	6.6
209.09856	3.1
209.11780	3.0
209.15373	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	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03942	1.8
55.01875	4.1
55.05515	3.0
56.96560	1.1
57.03434	0.7
57.07079	4.7
59.04995	0.8
65.03934	1.4
67.05507	4.8
69.03455	2.6
69.07072	3.3
71.05006	3.0
71.12533	0.7
71.54600	0.4
75.04481	0.6
78.04714	1.5
79.05497	7.0
81.03416	0.8
81.07065	8.1
83.04987	3.5
83.08619	1.7
85.02901	1.4
85.06546	0.9
89.03912	0.8
91.05490	7.6
93.03410	2.4
93.07054	7.8
95.04975	6.0
95.08057	0.6
95.08619	6.8
97.02913	0.4
97.06539	2.6
99.04446	0.9
99.08076	0.5
103.05463	2.7
105.03378	0.5
105.07029	4.3
106.04187	5.7
107.04957	1.7
107.08603	7.8
109.06525	100.0
109.10162	7.1
110.06856	0.7
111.04470	1.2
111.08087	2.2
112.85868	0.4
113.06086	0.5
117.03369	1.2
117.07014	1.5
119.04974	0.4
119.08580	2.4
121.06510	8.4
121.10171	5.3
123.04490	0.7
123.08078	8.9
123.11722	1.2
125.05981	2.7
125.09641	1.9
126.20264	0.4
131.04933	1.4
131.08575	7.3
133.06490	0.7
133.10143	3.3
134.03645	1.7
135.08063	19.9
135.11702	1.7
137.05986	1.4
137.09711	0.6
138.03012	0.6
139.07574	1.4
139.11176	0.6
143.08614	0.7
145.02879	1.8
145.10147	2.6
147.08073	0.9
147.11702	2.0
148.05208	1.4
149.06006	8.7
149.09642	4.7
149.13264	2.4
150.10422	1.1
151.03951	0.5
151.07585	1.0
151.11188	5.6
153.05493	1.4
153.09113	6.5
158.10953	1.4
161.09579	0.8
163.03938	0.5
163.07535	1.4
163.11235	2.1
163.14932	1.0
165.12796	1.3
167.07068	1.4
167.10582	0.5
167.14357	1.3
173.13260	6.3
176.04736	0.5
177.05518	5.6
179.08641	0.4
181.08630	1.7
191.07057	1.9
191.10732	1.8
191.14326	19.2
209.04477	1.4
209.07996	4.1
209.09755	0.7
209.11717	3.8
209.13420	1.0
209.15369	10.9
209.17363	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03941	8.0
55.01868	9.3
55.05519	100.0
56.96569	18.1
57.03439	11.2
57.07070	4.6
58.58531	2.3
59.05006	3.3
62.98011	2.3
65.03940	3.8
67.05511	16.7
69.03448	13.6
69.07076	63.8
69.38652	21.7
71.04995	13.4
75.71234	2.2
79.05496	15.7
81.07056	20.5
83.04987	33.3
83.08637	12.0
85.02896	3.2
85.06544	6.1
85.17988	2.2
91.05488	20.2
93.03387	2.7
93.07053	30.0
95.04984	51.3
95.08605	19.5
96.08939	3.5
97.06541	63.3
97.10182	5.5
98.21474	5.4
99.04478	12.7
99.08113	6.7
103.05482	6.8
105.07042	13.0
106.04182	9.0
107.04956	8.1
107.08601	45.6
109.06544	36.6
109.10162	26.5
111.08085	11.0
111.89546	2.5
119.08606	6.6
121.06524	22.8
121.10159	36.6
123.04427	3.4
123.08085	9.7
123.11704	8.1
125.06020	6.6
125.09653	35.6
127.11226	23.8
131.08571	12.4
133.10147	26.9
134.03618	2.5
135.04382	2.7
135.08069	16.3
135.11693	16.2
136.08803	3.2
137.09572	3.9
139.07518	4.6
139.11192	4.6
140.98682	2.6
145.10097	5.4
147.11682	4.3
148.05194	5.7
149.06004	16.4
149.09636	31.5
149.13284	13.1
151.11206	25.4
153.09120	30.7
158.10925	3.8
163.11264	3.3
163.14853	15.6
165.12691	4.3
167.07053	59.9
167.14323	4.3
168.98085	2.7
173.13235	15.9
175.65480	2.2
176.04730	5.6
176.11909	2.6
177.05498	10.9
186.99199	7.2
191.07040	4.9
191.14339	61.6
194.05746	5.8
205.00298	5.6
209.04506	4.9
209.08098	26.8
209.15392	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03934	1.1
55.01873	2.5
55.05511	8.9
56.96528	0.3
57.03438	1.5
57.07088	1.7
59.04984	0.6
62.76557	0.3
65.03931	1.0
67.05505	4.3
69.03430	4.6
69.07073	5.9
70.99352	0.6
71.04659	0.5
71.04998	7.3
71.77455	0.3
77.03908	0.6
78.04713	2.5
79.05495	15.9
80.05846	0.4
81.03426	0.8
81.07059	9.1
83.04490	0.7
83.04984	12.6
83.08627	3.9
83.11662	0.3
85.02912	0.4
85.06525	1.2
88.50944	0.3
91.05480	9.3
93.03397	0.7
93.07047	16.0
95.04972	22.7
95.08607	3.4
97.06525	5.4
97.10147	1.0
98.97565	0.7
99.04456	4.8
99.08099	1.0
103.05473	1.5
105.04549	0.3
105.06303	0.4
105.07032	9.6
106.04182	2.6
107.04959	9.9
107.08598	18.4
109.06519	13.5
109.10151	5.2
111.04419	0.9
111.08097	2.3
113.09699	0.5
115.05494	0.3
116.06245	0.5
117.07006	2.8
119.04972	0.4
119.08596	3.5
120.05746	0.4
121.06510	12.6
121.10145	14.9
122.03638	0.3
123.04436	6.9
123.08083	2.0
123.11685	2.0
124.05229	2.4
125.06007	1.9
125.09624	3.9
129.07001	1.2
130.07790	1.3
131.08572	27.9
133.10136	5.5
134.03610	0.5
135.04401	1.5
135.08044	3.5
135.11696	2.0
137.05983	1.0
137.09641	0.4
139.07556	1.0
139.11218	0.4
141.05464	0.3
143.08629	0.4
145.10132	10.4
145.11284	0.6
146.10431	0.3
147.04434	0.5
147.08014	0.7
147.11690	1.6
148.05191	0.6
149.02356	0.4
149.06026	2.2
149.09624	21.1
149.13300	2.3
151.03883	1.5
151.07521	0.6
151.11189	4.3
152.04747	1.6
153.05486	3.6
153.09109	7.1
163.11185	8.2
163.14832	1.9
165.09059	0.6
165.12773	0.7
167.07042	100.0
167.14308	6.5
168.07375	1.8
173.09625	0.7
173.13283	3.5
177.05490	4.4
181.08583	1.4
191.10687	7.6
191.14311	5.4
194.00325	0.3
194.02116	0.4
194.05699	0.4
209.04483	1.2
209.08405	1.8
209.11752	13.8
209.15353	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03936	1.9
55.01862	3.6
55.05262	1.3
55.05514	14.4
57.07065	1.2
59.04989	2.3
61.65965	0.9
65.03918	2.1
65.42229	1.1
67.05511	5.7
69.03415	2.9
69.07066	10.3
69.32924	8.2
71.04995	8.9
71.09292	1.0
74.44778	1.0
79.05511	6.7
81.07060	7.7
83.01352	29.8
83.04981	11.8
83.08617	5.5
85.06528	4.4
91.05484	6.7
93.07047	12.6
95.04976	100.0
95.08633	5.0
97.02898	1.0
97.06537	16.7
97.10197	1.7
99.04466	21.0
99.08102	19.6
101.06011	4.6
105.07056	7.1
107.08606	20.8
109.06533	8.8
109.10156	7.9
111.08094	10.2
117.07017	1.2
119.07791	1.2
119.08603	3.8
121.06493	4.4
121.10156	15.4
123.08059	4.8
123.11721	2.7
125.05997	1.3
125.09630	15.5
131.08565	6.2
133.10130	19.7
135.08066	10.5
135.11679	4.5
137.09590	5.4
139.07549	18.1
139.11172	9.0
143.08475	1.5
145.10114	2.1
147.11719	2.4
149.09621	9.9
149.13266	5.0
151.11212	9.8
153.09109	32.8
154.09903	2.5
155.10645	1.3
158.10925	1.6
163.14886	6.1
165.12689	1.5
167.10712	2.4
173.13277	8.0
181.15872	6.3
191.14314	18.9
209.08275	1.1
209.15376	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.58205	0.8
55.01884	5.8
55.05514	4.6
56.96564	0.9
57.03420	1.1
57.07076	5.5
59.05003	1.6
65.03944	1.3
67.05512	7.2
69.03431	1.8
69.07072	6.1
69.20826	1.0
69.21229	7.9
71.04989	4.8
78.04704	1.4
79.05503	7.1
81.07067	9.8
83.04993	4.6
83.08607	2.1
85.06548	2.8
89.03945	1.1
91.05491	10.3
93.03419	2.9
93.07043	11.3
95.04976	11.4
95.08609	8.7
97.02857	1.0
97.06525	2.5
99.04460	3.9
101.05925	0.9
102.96882	1.1
103.05470	2.9
105.07021	6.4
106.04169	5.2
107.04937	2.6
107.08599	13.0
109.06525	100.0
109.10162	11.2
111.08076	2.9
111.11685	1.0
113.09672	1.2
115.05437	1.1
119.08589	4.9
119.30058	0.9
121.06508	8.3
121.10162	6.7
123.08081	11.4
123.11716	1.0
125.05964	2.1
131.04933	1.8
131.08572	7.6
133.10150	6.5
134.03659	2.0
134.43201	0.9
135.04425	1.0
135.08063	21.7
135.11691	3.5
137.06020	1.2
137.09601	1.0
139.07486	2.0
145.10144	3.9
147.04442	1.0
147.11665	2.9
148.05278	1.7
149.06004	10.2
149.09642	6.0
149.13275	6.1
150.10432	1.5
151.11189	2.7
153.09142	6.7
158.10881	1.2
161.13243	1.8
163.11174	3.7
163.14865	1.7
165.12732	1.5
167.07152	1.1
173.13309	8.0
176.04706	1.2
177.05481	4.8
181.08589	1.2
191.07082	1.2
191.10689	4.9
191.14311	18.3
209.04514	2.8
209.08092	4.7
209.11667	1.6
209.13470	2.0
209.15367	14.3
217.75116	0.9
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
50.76043	1.0
53.03937	2.2
55.01861	4.2
55.05276	1.7
55.05519	23.4
57.03422	3.0
57.07066	3.1
59.04998	1.4
63.56242	1.1
65.03954	1.7
67.05515	8.9
69.03423	4.1
69.07075	13.8
70.79556	3.4
71.05004	16.4
78.04858	1.4
79.05502	24.4
81.07064	20.6
83.04993	48.7
83.08632	6.8
85.06022	1.3
85.06532	3.5
91.05487	15.0
93.06475	1.8
93.07053	26.6
95.04979	39.9
95.08614	11.8
97.06530	9.0
99.04458	12.0
103.05463	1.7
105.07048	16.2
107.04973	7.6
107.08611	37.9
109.06532	100.0
109.10161	16.7
111.08092	5.5
117.07008	4.3
119.05830	1.2
119.08587	4.9
121.06521	14.9
121.09322	1.9
121.10156	27.0
123.08085	8.4
123.11709	5.0
125.05981	3.7
125.09636	5.7
129.07013	2.3
130.07773	1.4
131.08583	44.0
133.10135	14.4
133.98198	1.1
135.08064	12.2
135.11673	3.5
137.09599	1.4
139.07510	1.7
143.08594	1.5
145.10147	17.6
147.07967	2.0
147.11668	3.9
149.05995	3.3
149.09639	31.8
149.13254	10.2
151.11198	10.4
153.05460	4.2
153.09120	19.7
163.11188	9.8
163.14841	2.7
165.12750	1.5
167.07069	3.4
167.14339	15.5
173.13275	10.9
182.05238	1.6
191.10730	12.9
191.12495	1.4
191.12802	1.5
191.14317	14.4
209.08112	1.8
209.11777	20.1
209.15384	22.1
226.42403	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.24056	1.7
53.03946	2.8
55.01879	11.6
55.05517	71.5
56.96569	4.4
57.03439	5.1
57.07073	4.2
59.05011	5.0
67.05507	10.7
69.03418	8.7
69.07088	10.1
69.87598	8.4
71.04998	2.7
79.05499	8.7
81.07066	18.2
83.04985	100.0
83.08628	37.7
84.13899	1.7
85.06544	3.4
89.06042	2.7
91.05479	11.2
93.07054	22.5
95.04983	34.0
95.08633	12.3
97.06544	8.5
97.10168	9.2
99.04455	3.1
103.05495	2.4
105.07018	5.8
107.04952	2.5
107.08611	29.2
109.06530	29.5
109.10169	27.2
111.08099	13.1
113.09651	1.9
119.08607	3.9
121.06525	6.3
121.10153	48.6
123.08078	6.1
123.11724	16.4
125.09621	15.6
131.04904	2.8
131.08582	4.2
133.10136	16.2
135.04430	2.3
135.08070	4.8
135.11646	2.5
137.40041	1.8
142.31674	2.0
145.10078	2.9
149.06001	4.9
149.09641	5.1
149.13274	12.3
151.11194	36.9
153.05453	2.8
153.09100	10.7
163.03906	2.6
163.07509	2.2
163.14871	7.7
167.14336	67.2
173.13304	6.7
177.05486	8.5
191.07019	3.3
191.10503	2.2
191.14279	14.0
193.26463	1.8
209.04362	4.0
209.08081	3.3
209.15399	35.7
211.30208	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03952	3.0
55.01871	7.7
55.05518	8.0
57.03424	4.8
57.07079	2.5
60.88602	1.4
65.03930	2.1
67.05509	17.6
68.03232	1.1
69.03436	12.1
69.07069	11.7
70.85851	3.4
71.05005	18.8
75.35827	1.1
79.05501	41.2
81.03416	2.1
81.07065	12.6
83.04994	14.0
83.08612	3.6
85.06532	4.7
87.04456	1.4
91.05482	26.9
92.16780	1.3
93.07047	34.7
95.04978	46.9
95.08633	6.5
97.06536	12.1
99.04465	8.7
103.05474	2.1
105.06388	2.3
105.07037	23.1
107.04963	32.4
107.08605	47.7
109.06534	22.6
109.10143	4.3
111.04451	8.6
111.08076	3.7
117.07036	7.9
119.08582	14.2
121.06519	26.4
121.10152	31.7
123.04419	4.9
123.08073	6.2
123.11691	1.9
125.06005	10.9
125.09616	7.8
129.07008	5.9
130.07756	2.9
131.08578	81.3
132.08940	1.7
133.10110	5.5
135.04431	1.9
135.08087	7.7
135.11723	7.6
137.09575	2.0
139.07497	2.7
141.05418	1.5
145.06511	2.6
145.10138	39.9
147.08076	7.3
147.11684	3.1
149.05986	4.3
149.09634	100.0
149.13292	3.5
151.07553	2.3
151.11206	4.7
153.05464	6.4
153.09128	14.9
163.07579	8.4
163.11194	38.7
163.14893	2.0
165.09126	18.0
165.12715	1.5
167.07036	7.9
167.10701	13.8
167.14307	2.5
173.09602	6.7
173.13280	5.3
177.05464	2.6
191.10686	52.3
191.14337	16.6
209.08426	2.3
209.11732	66.8
209.15323	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03951	6.1
55.01871	9.4
55.05516	42.2
55.78859	2.1
57.03447	5.0
57.07074	5.8
59.04991	5.2
67.05515	15.0
67.49957	2.0
69.03439	7.9
69.07072	26.8
69.21037	23.1
71.05004	25.2
71.36134	2.1
77.50650	1.9
79.05500	52.7
81.07067	26.1
82.45730	2.1
83.04990	75.6
83.08630	14.7
85.06547	4.6
91.05494	32.7
93.07051	62.5
95.04980	46.2
95.08598	12.7
97.06535	19.0
97.10195	4.7
98.20716	4.2
98.58457	2.1
99.04477	8.6
103.05551	4.8
105.07037	30.1
106.04195	2.4
107.04971	20.8
107.08608	81.1
109.06525	98.4
109.10162	18.5
111.04475	3.9
111.08077	10.6
113.09658	3.9
113.86691	1.9
117.07040	7.9
118.28413	2.4
119.08584	13.5
121.06512	35.7
121.10159	44.6
123.08068	9.0
123.11710	5.9
125.05993	5.4
125.09648	10.4
129.07021	5.3
130.07814	3.2
131.08582	100.0
133.10114	15.4
135.04459	4.7
135.08080	19.9
135.11696	8.2
137.05875	2.3
139.07553	4.0
139.11220	3.1
141.05484	2.2
142.50360	2.2
143.08618	3.2
145.10120	35.8
147.08083	5.0
147.11731	4.1
149.06030	8.8
149.09636	72.0
149.13293	10.4
151.07542	3.3
151.11243	17.7
153.05540	12.0
153.09132	20.7
163.11206	30.1
163.14838	5.0
165.09091	2.8
165.12727	2.7
167.07069	3.9
167.10670	4.4
167.14339	27.0
173.13271	11.0
175.01823	2.1
191.07082	2.3
191.10683	25.3
191.14326	19.8
199.62782	2.3
209.08110	5.0
209.11752	48.0
209.15327	25.2
217.42969	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	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03928	7.1
55.01877	12.3
55.05313	2.5
55.05515	26.2
57.03437	6.5
57.07066	13.3
65.03923	3.6
67.05509	19.1
69.03434	83.6
69.07062	24.4
70.03902	2.3
70.59604	5.6
71.05000	24.0
79.05072	3.5
79.05495	56.4
81.03403	3.0
81.07068	26.3
83.04984	36.9
83.08621	13.9
85.06532	7.9
91.05482	40.6
93.03369	3.2
93.07049	53.3
95.04971	24.3
95.08609	18.4
97.06535	14.1
99.04462	5.0
99.08095	3.9
103.05447	5.0
105.07045	36.3
106.04171	6.0
107.04949	22.7
107.08601	85.8
109.06517	31.3
109.10162	12.6
111.04472	4.4
111.08088	12.4
117.07014	9.9
119.04980	3.0
119.08565	16.0
121.06503	45.2
121.10146	58.2
123.08089	13.3
123.11691	12.1
125.05984	10.4
125.09645	69.8
129.07010	5.7
131.08578	100.0
133.10147	13.0
135.08040	20.1
135.11693	10.8
137.06007	4.1
139.07547	4.6
145.10139	43.1
147.04388	3.4
147.08073	3.3
147.11659	9.5
149.05995	14.2
149.09633	78.0
149.13264	12.3
151.07556	3.4
151.11136	10.6
153.05487	15.1
153.09106	21.9
163.11176	30.6
163.14821	7.1
165.09103	4.2
165.12720	11.8
166.00870	15.0
167.07042	7.7
167.10661	6.4
167.14334	15.4
173.09631	6.5
173.13268	20.5
176.11885	2.9
177.05463	8.3
191.10677	29.8
191.14317	86.3
194.00352	66.9
194.01831	1.9
209.02727	49.6
209.08018	7.8
209.11787	47.2
209.15358	94.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03942	2.7
55.01857	4.3
55.05511	11.0
56.96552	1.5
57.03430	5.0
57.07067	4.3
60.09933	1.2
65.03928	1.7
65.62654	1.6
65.62990	1.3
67.05506	10.2
69.03133	1.1
69.03441	9.5
69.07072	19.4
69.18536	9.9
69.18958	3.6
71.04998	21.8
79.05497	49.8
81.03408	1.6
81.07056	11.1
83.04995	11.7
83.08617	1.9
83.16177	1.2
85.06522	1.8
91.04909	1.4
91.05482	28.2
93.03396	1.4
93.06476	2.9
93.07047	43.4
93.30842	1.4
95.04987	10.6
95.08606	2.0
97.06555	6.4
98.20799	3.3
103.05489	2.7
105.06386	2.4
105.07038	30.4
107.04965	19.6
107.08599	61.6
109.06514	6.5
109.10133	1.6
109.92714	1.3
111.04441	3.4
111.08083	2.2
116.06269	2.2
117.07014	8.6
119.08578	8.0
121.06508	34.4
121.10147	30.2
123.08090	4.2
125.05989	6.0
125.09636	9.0
129.06985	3.1
130.07748	2.8
131.08569	100.0
133.10161	2.7
135.04428	2.1
135.08029	3.9
135.11684	4.6
137.05923	3.0
139.07564	2.3
141.05464	4.0
143.08600	2.2
145.09212	1.0
145.10124	37.8
147.08044	3.4
147.11679	3.4
149.05998	4.5
149.09628	81.1
150.09981	1.7
151.07510	2.3
151.11188	1.9
151.85628	1.4
153.05469	12.0
153.09029	1.5
154.74580	1.4
163.11188	28.9
165.09166	2.5
167.07030	12.3
167.10675	4.0
167.14284	3.1
173.09637	4.2
173.13310	2.0
191.10683	29.6
191.14336	7.9
194.00282	5.1
209.02684	4.8
209.11739	48.5
209.15254	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	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03952	1.2
55.01881	2.6
55.05520	3.3
57.03438	1.4
57.07079	1.2
60.20262	0.3
60.53122	0.3
65.03940	0.5
67.05511	2.9
69.03445	2.5
69.07074	5.6
69.99974	0.9
70.00381	0.8
70.28926	0.3
71.05000	5.9
77.03924	0.7
77.21931	0.3
78.04723	2.8
79.05499	13.7
79.05969	0.7
81.03442	0.5
81.07066	3.8
81.43092	0.3
83.04987	5.0
83.08628	0.9
91.05496	9.3
93.07053	14.5
95.04375	0.4
95.04981	8.0
95.08629	1.5
97.06535	2.9
99.04463	1.0
103.05465	1.4
105.07040	8.2
105.72746	0.4
106.04198	2.0
107.04970	10.0
107.08602	17.2
109.06535	4.8
109.10175	1.0
111.04447	0.5
111.08065	0.6
116.06254	0.5
117.07014	2.0
119.04932	0.5
119.08602	2.7
120.05732	0.3
121.06519	12.6
121.10150	9.9
122.71349	0.4
123.04441	6.2
123.08063	1.2
123.11751	0.7
124.05227	2.1
125.01028	0.4
125.06016	2.4
125.09615	2.6
128.06146	0.6
129.06970	1.0
130.07834	0.7
131.04938	0.5
131.08583	28.9
132.08888	0.5
133.06447	0.4
133.10127	1.5
134.03644	0.6
135.04401	1.9
135.08076	1.7
135.11681	1.4
137.05969	0.8
139.07561	1.1
141.05539	0.8
145.10139	10.8
147.04428	0.9
147.08063	1.6
147.11690	1.1
149.02312	0.4
149.05994	3.4
149.09634	23.5
149.13203	0.9
151.03911	1.6
151.07503	0.6
151.11200	1.1
152.04715	1.5
153.05504	3.6
153.09114	1.6
163.11201	9.0
165.09096	0.8
165.12805	0.4
166.06262	0.6
167.07054	100.0
167.14339	1.3
168.07373	1.5
173.09648	0.7
173.13263	0.8
177.05481	4.4
181.08598	1.6
191.07109	0.4
191.08919	0.5
191.10693	9.5
191.14304	3.1
191.89503	0.3
194.00398	0.4
209.04460	0.6
209.08336	2.2
209.11745	15.7
209.15315	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	209.081
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.17625	2.0
53.03948	13.5
53.14377	2.2
55.01879	25.8
55.05515	14.4
56.96537	3.1
57.03430	4.8
57.07064	10.3
65.03947	13.6
67.05512	22.2
68.62273	2.4
69.03094	2.7
69.03429	19.2
69.07066	12.2
69.37032	16.7
71.04997	5.0
75.04500	10.7
77.03922	3.2
78.04725	11.7
79.05499	22.6
81.03427	3.7
81.07067	21.3
82.99062	2.3
83.04975	21.5
83.08611	7.5
85.02885	10.0
85.06528	9.6
89.03919	8.8
91.05489	53.7
93.03416	24.2
93.07051	31.6
95.04974	43.7
95.08624	19.1
96.95189	2.1
97.02897	2.1
97.06527	17.5
98.20706	3.9
99.04449	6.1
99.08093	4.5
103.05476	19.4
105.03430	3.7
105.04517	5.4
105.07053	15.5
106.04182	80.1
107.04978	11.6
107.08607	37.2
109.06522	32.1
109.10145	15.2
111.04450	2.9
111.08099	11.1
117.03365	6.4
117.07063	2.4
118.04216	2.6
119.04948	6.2
119.08568	7.2
121.06509	77.6
121.10184	15.6
123.04420	3.1
123.08090	11.3
123.11703	5.4
125.06001	21.3
125.09638	49.8
129.07021	2.9
131.04921	7.8
131.08574	10.4
133.10106	14.0
134.03645	16.8
135.04413	2.7
135.08063	19.8
135.11696	12.1
137.06007	11.1
137.09625	5.3
139.07542	6.5
143.08580	3.2
145.02899	5.7
145.10143	6.8
147.11664	6.9
148.05197	12.9
149.04774	4.8
149.05989	100.0
149.09639	12.8
149.13261	14.0
151.07532	4.7
151.11176	8.6
153.05528	5.5
153.09114	35.2
158.11006	2.5
163.07541	7.8
163.11188	6.6
163.14830	7.5
165.12759	14.6
167.07071	4.6
167.14281	4.3
173.13251	19.5
176.04651	3.9
176.12027	2.6
177.05482	43.3
179.08580	2.5
181.08586	14.5
181.10019	5.1
191.07036	10.4
191.10707	2.7
191.14322	84.4
194.05801	3.3
202.54880	2.1
209.04376	4.3
209.08040	32.7
209.09714	2.4
209.13559	3.4
209.15369	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.06257	1.6
53.02530	1.8
53.03940	9.9
53.09314	2.0
55.01868	22.1
55.05266	2.9
55.05513	45.3
56.96563	5.2
57.03434	4.0
57.07077	2.6
57.27677	1.5
59.04996	1.9
60.02130	1.6
61.77501	1.6
65.03941	17.1
67.05511	16.1
69.03429	7.0
69.07079	13.2
69.55677	10.9
70.77231	1.7
71.04991	7.8
75.04501	9.8
77.03892	2.1
78.04713	13.3
79.05496	20.8
81.03403	5.4
81.07062	22.3
83.04486	3.1
83.04981	54.3
83.08625	22.1
85.02912	11.7
85.06547	5.1
89.03921	7.0
89.06010	1.8
91.05486	60.5
93.02818	3.2
93.03403	33.4
93.07056	33.1
95.04968	39.2
95.08608	13.9
97.02899	1.6
97.06538	18.6
97.10178	5.3
98.20765	3.6
98.97593	10.4
99.04456	4.4
99.08103	3.0
103.05466	22.8
105.03430	3.9
105.04513	5.7
105.07040	11.6
106.04178	87.1
107.04984	9.4
107.08591	25.9
108.05795	2.3
109.06525	42.2
109.10148	19.0
110.03639	2.3
111.04455	6.4
111.08078	9.9
116.98643	4.1
117.03397	6.1
118.04192	2.8
119.01897	2.7
119.04961	6.1
119.08568	5.8
120.05747	3.1
121.06507	88.5
121.10141	18.1
123.04428	5.7
123.08079	10.0
123.11715	11.2
124.05247	1.9
125.05991	20.4
125.09627	15.1
128.02330	3.5
131.04948	9.6
131.08559	8.0
133.02875	2.6
133.06436	2.8
133.10130	10.5
134.03648	16.4
135.04404	4.9
135.08072	8.1
135.11674	4.7
137.02878	1.7
137.05997	15.7
138.06758	5.6
139.07530	7.3
139.11197	3.1
144.99855	2.0
145.02840	8.0
145.10110	5.7
147.04448	4.4
148.05200	16.4
149.05988	100.0
149.09598	12.6
149.13283	9.6
151.03874	3.3
151.07561	3.8
151.11186	31.8
152.08243	2.3
153.05495	9.4
153.09111	31.6
156.44492	1.8
158.99663	2.2
159.04401	3.9
163.03978	2.7
163.07567	7.4
163.11206	6.4
163.14838	4.8
165.05502	1.7
165.12781	4.6
166.06235	3.7
167.07062	21.5
167.14328	39.6
171.96075	1.6
173.09560	1.7
173.13208	7.7
176.04724	5.8
177.00697	2.7
177.05478	39.7
181.08557	19.1
181.15369	1.5
191.07047	8.5
191.10681	4.0
191.14328	13.8
194.05806	5.5
203.04053	3.2
209.04431	2.9
209.08078	37.8
209.09933	3.4
209.11748	4.2
209.15382	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	207.1746
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.00307	1.8
53.03937	5.2
55.01863	5.0
55.05511	16.2
56.96545	3.7
57.03432	5.5
57.07082	14.9
59.04985	1.9
65.03938	8.5
65.04237	1.3
67.05509	72.1
68.99797	2.4
69.03428	6.9
69.06785	1.5
69.07076	16.9
71.05007	15.0
71.08624	4.7
71.34560	1.6
71.34896	2.4
77.03902	2.5
77.75153	1.6
79.05494	32.3
81.03410	3.9
81.07064	68.8
83.04993	10.3
83.08626	8.0
84.05264	1.5
85.02883	5.2
85.06541	17.8
89.03933	1.9
91.05487	91.0
92.06315	1.4
93.03420	2.8
93.07055	48.6
95.04971	15.4
95.08613	70.0
97.06540	14.6
97.10176	4.3
99.04455	4.6
99.08106	8.6
103.05490	6.9
105.03368	1.6
105.04496	2.4
105.07038	45.3
106.04145	2.1
107.04972	3.4
107.08604	49.1
108.05727	4.0
109.06528	13.1
109.10162	46.9
109.10922	1.8
111.04495	1.6
111.08076	8.2
113.09633	1.4
115.96499	2.2
117.07009	5.3
118.04158	3.9
119.04958	45.2
119.08591	65.7
121.02861	3.2
121.06539	7.0
121.10149	31.0
123.04446	11.3
123.08077	19.1
123.11710	24.4
125.09626	5.0
129.07022	2.3
129.11023	2.0
131.08582	6.2
132.02055	2.5
133.06509	7.1
133.10139	64.2
134.10536	1.3
135.04437	2.5
135.08083	3.8
135.11703	13.1
136.05202	13.6
137.05989	4.0
137.09612	15.8
137.13281	2.3
139.11244	2.1
143.08604	2.1
145.10133	4.5
146.03618	11.5
147.04411	39.6
147.08047	3.9
147.11693	43.7
148.05119	1.5
149.02350	27.8
149.05988	7.6
149.09639	9.0
149.13254	12.8
151.03943	1.9
151.07552	18.9
151.11172	5.5
151.14833	1.7
156.09361	2.0
157.04022	2.3
161.01208	2.6
161.02966	1.6
161.05997	4.1
161.09648	6.2
161.13289	14.5
163.03932	10.6
163.11171	2.4
163.14828	17.9
164.04701	40.4
165.05365	1.3
165.09065	1.9
165.12746	5.5
171.11668	3.3
174.03119	6.5
175.03918	19.6
175.11588	4.6
177.05458	5.2
179.07048	29.0
179.08556	2.6
179.14381	2.4
189.05455	2.9
189.09140	4.1
189.12892	8.3
189.16399	100.0
191.03352	1.3
192.04189	15.0
192.09294	2.5
207.06537	83.1
207.10056	6.2
207.11847	2.7
207.13890	17.7
207.17447	79.9
208.06882	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03947	9.1
55.01864	3.2
55.05516	11.2
56.05871	1.1
56.96560	4.3
57.03422	1.4
57.07072	1.1
59.05002	1.5
65.03936	2.9
67.05175	1.8
67.05511	29.7
69.03430	2.6
69.07057	6.5
71.04992	3.4
71.55413	1.1
73.02911	1.0
77.03909	2.2
79.05499	51.7
81.03413	2.6
81.07061	29.5
83.04993	7.9
83.08611	4.1
84.05310	2.6
85.02908	2.3
85.06536	3.2
91.05490	54.9
92.49774	1.2
93.07051	100.0
95.04977	15.4
95.08614	12.8
97.06539	3.8
97.10142	1.6
99.04420	1.5
103.05483	1.2
103.09528	1.2
103.89942	1.2
105.04515	3.7
105.07037	33.1
107.04948	2.1
107.08601	15.7
109.06533	5.8
109.10174	2.2
111.04479	2.1
113.06015	3.8
115.96471	2.6
117.07039	6.1
119.01874	1.0
119.04983	2.0
119.08591	19.4
121.06483	3.2
121.10142	4.5
123.08089	6.1
123.11723	1.6
128.06204	1.7
129.07050	11.1
129.11064	4.2
131.08578	3.3
133.06552	2.1
133.10123	7.9
133.97545	1.3
135.04390	1.5
135.08020	1.3
135.11674	1.3
137.06001	1.8
137.09592	2.6
143.00101	1.6
143.08577	6.8
145.10126	10.4
147.04427	2.8
147.08025	3.2
147.11697	59.0
149.09645	2.9
151.07559	2.1
157.10661	1.2
159.11676	1.9
161.01230	4.0
161.05978	1.5
161.09602	5.1
161.13245	10.9
162.13641	1.1
165.09116	1.2
165.12732	1.6
171.11714	21.9
174.11273	1.2
175.03996	2.5
175.11639	7.8
189.05397	1.3
189.09172	1.7
189.12744	15.5
192.04205	2.1
192.09335	1.4
207.06506	8.1
207.10028	2.7
207.11758	3.3
207.13812	29.9
207.17346	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.13453	2.6
53.03944	7.4
55.01865	7.7
55.05521	23.9
56.96559	4.3
57.03424	6.3
57.07068	4.2
62.22307	2.6
67.05492	14.0
68.98303	3.0
69.03413	7.7
69.07075	19.7
70.14368	2.4
70.55918	6.1
70.56288	5.8
71.04984	11.3
72.46648	2.7
79.05505	19.8
81.03403	3.8
81.07069	28.0
83.04983	27.6
85.02921	26.3
85.06540	6.3
85.39197	2.5
91.04981	3.9
91.05489	51.4
93.06561	3.2
93.07053	34.3
95.04979	19.0
95.08595	19.8
97.02910	3.8
97.06532	21.0
98.97579	18.9
99.04448	4.5
103.05515	14.0
105.07032	52.2
107.04950	6.3
107.08603	37.6
109.05797	5.1
109.06526	85.5
109.10182	15.1
111.04453	4.9
111.08060	17.9
116.98616	4.5
117.06972	6.2
119.04955	28.8
119.07803	5.0
119.08584	52.0
121.05678	3.3
121.06506	11.8
121.10149	44.9
123.04414	3.6
123.08067	25.6
123.11739	18.9
125.09587	3.7
129.07013	6.3
131.04898	7.5
131.08554	8.1
133.06496	4.1
133.10153	21.9
135.08058	8.7
135.11696	5.6
136.05228	5.4
137.06029	6.8
137.09650	22.5
137.13147	3.9
139.07497	3.3
143.08565	4.5
145.10126	11.7
146.03645	5.8
147.04407	19.2
147.08049	22.8
147.11690	86.6
149.02330	10.3
149.09633	50.6
151.07562	27.9
156.09404	16.8
158.99672	12.5
159.08046	13.6
160.08853	3.4
161.05952	4.5
161.09607	15.1
161.13242	34.5
163.07492	3.5
163.11243	6.8
164.04681	9.8
165.09065	7.4
165.12753	81.1
171.11728	18.4
174.03113	6.2
174.10426	34.5
175.03821	13.3
177.00639	3.6
179.07071	15.2
179.14346	4.8
189.12737	83.5
192.04204	11.7
195.07925	4.6
204.91945	3.0
207.06575	41.5
207.10295	5.0
207.13805	100.0
207.17314	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03947	1.2
55.01882	1.0
55.05502	3.3
57.07066	1.0
65.03920	1.4
67.05498	4.2
69.03432	2.0
69.07087	1.9
70.65726	1.1
70.66067	2.6
71.04996	1.3
78.38490	0.9
79.05512	5.0
79.21388	0.9
81.07066	15.1
83.04977	1.7
83.08606	1.3
85.02914	100.0
91.05495	20.0
93.07063	6.0
95.04990	1.7
95.08625	5.0
103.05429	2.0
105.07044	14.5
107.08602	7.8
109.06516	4.3
109.10171	16.6
109.10855	1.9
117.07038	1.1
118.04127	1.3
119.04963	11.1
119.08589	15.9
121.06534	2.1
121.10159	12.0
123.08084	3.2
123.11718	64.3
125.05999	11.1
128.06276	1.9
129.07011	1.8
131.08577	4.0
133.10149	3.6
137.05934	1.9
137.09630	1.3
141.05453	0.9
141.06958	1.1
143.08583	3.3
145.10127	5.8
147.04446	7.6
147.08047	7.3
147.10634	1.5
147.11699	13.8
149.02306	1.2
149.09628	15.8
151.07556	5.7
156.09338	3.4
157.04041	1.3
159.08037	1.4
161.09624	3.5
161.13295	1.5
163.11197	2.7
164.04671	1.2
165.12791	3.1
171.11638	2.6
174.10397	2.6
175.03935	11.2
189.12776	12.7
192.04161	3.3
207.06551	7.3
207.10437	2.4
207.13835	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.52325	1.4
53.03967	8.7
55.01878	2.6
55.05517	9.2
56.96571	3.1
57.03421	2.1
65.03942	3.3
67.05514	30.6
69.03429	4.3
69.07077	7.4
71.04981	3.3
71.55593	3.1
77.03912	2.4
79.05502	51.0
81.03413	2.1
81.07067	24.6
83.04986	6.7
83.08621	3.1
85.02879	2.1
85.06534	3.2
91.05489	57.4
93.07053	100.0
95.04978	16.5
95.08610	13.6
97.06544	2.3
98.10851	1.4
99.08050	1.5
102.09171	1.8
105.04511	4.9
105.07041	29.6
107.04956	4.1
107.08587	15.6
109.06541	5.7
109.10162	4.7
111.08150	1.7
115.96455	3.8
117.07024	4.7
119.04943	4.3
119.08591	21.7
121.06538	2.8
121.10143	4.6
123.08086	10.8
123.11728	2.6
128.06258	2.6
129.07027	9.1
131.08586	1.8
133.06499	2.3
133.10188	8.7
137.09624	2.9
143.08572	8.6
145.10150	8.8
147.04445	2.9
147.08031	4.9
147.11702	54.9
149.02309	1.5
149.09618	4.3
151.07544	2.5
156.09332	2.0
161.01273	1.6
161.09631	3.6
161.13286	9.7
161.89598	1.5
163.03908	2.2
165.12863	1.9
169.38567	1.7
171.11691	20.3
175.03900	2.5
175.11655	4.1
189.09175	2.1
189.12746	17.5
207.06497	10.2
207.09938	1.9
207.13849	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.28307	0.9
55.01866	2.2
55.05520	7.5
56.87181	1.3
56.96563	16.1
57.07069	4.8
57.07341	1.2
59.05007	1.3
65.03938	1.9
67.05508	30.8
68.73310	1.0
69.03420	5.0
69.07069	3.4
70.17809	4.6
71.04992	2.4
71.95266	4.1
79.05495	8.0
81.07067	7.1
83.04991	3.7
85.02898	4.8
85.06548	9.5
91.05484	19.2
93.07041	16.5
93.34439	1.1
95.04984	5.7
95.08610	100.0
96.08926	1.5
98.97590	16.3
99.97935	1.4
100.97183	1.1
103.05478	1.8
105.07037	19.6
107.04988	1.8
107.08600	22.6
108.08929	1.8
109.06509	5.6
109.10159	4.4
110.97598	1.7
111.08090	2.6
113.06012	5.7
115.05479	1.2
116.98654	4.1
117.06995	1.7
119.04945	8.7
119.06860	1.6
119.08591	29.1
120.08105	2.5
121.06493	3.6
121.08418	5.1
121.10145	17.0
123.08068	53.4
123.08959	2.6
123.11726	8.5
124.99147	2.3
128.02431	1.2
131.08572	6.3
132.02118	1.8
133.06532	2.1
133.10123	10.3
134.10490	2.5
134.56860	1.3
135.08069	5.2
135.11678	5.3
136.12051	1.4
137.09605	5.2
137.13220	1.4
141.07014	1.2
141.37805	1.1
143.00183	8.9
143.08585	2.4
145.10139	2.6
147.04410	7.6
147.08047	9.1
147.11668	14.2
149.09625	40.8
151.07558	3.6
151.14827	3.9
156.09338	4.2
158.99698	5.2
159.08119	2.1
159.11768	1.1
160.08955	1.6
161.01208	12.0
161.09679	2.7
161.13268	19.5
163.11208	4.3
165.09071	2.4
165.12767	9.6
169.03062	1.1
171.11665	4.8
174.10460	3.9
175.03874	6.9
177.00790	1.7
177.05370	1.1
179.02298	2.2
179.07043	1.4
179.14281	1.9
188.85428	1.1
189.12743	18.7
192.04118	1.5
199.91737	1.1
206.59003	2.2
207.06505	6.3
207.10370	1.6
207.13809	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	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03946	3.5
55.01859	2.9
55.05516	8.7
56.96561	4.5
57.07067	2.9
59.05002	2.8
65.03932	3.5
67.05511	15.3
68.99788	1.2
69.03433	18.0
69.07072	5.8
71.04996	62.6
78.04705	1.1
79.05136	1.0
79.05501	12.1
81.03430	1.3
81.07060	23.1
83.04988	8.2
83.08601	2.5
85.02913	8.6
85.06555	5.6
91.05487	33.0
93.03407	2.2
93.07044	12.8
95.04977	14.8
95.08612	17.6
97.06539	3.8
98.97590	2.4
99.04442	1.4
103.05461	4.6
105.03407	1.4
105.04552	1.1
105.06319	1.1
105.07032	23.2
107.04942	3.8
107.08598	15.8
108.05744	3.0
109.06523	24.9
109.10157	14.2
110.07311	3.8
111.04465	2.0
111.08115	4.7
115.05446	1.3
115.96419	2.1
116.06232	1.0
117.07011	2.7
118.04167	2.4
119.04953	26.8
119.08585	20.9
120.05688	1.0
121.02869	2.2
121.06522	9.9
121.10150	11.5
122.07284	11.7
123.04456	9.8
123.08069	22.9
123.11703	9.9
125.09638	2.7
129.06992	2.9
129.11063	2.0
131.04921	1.7
131.08592	4.3
132.02109	1.0
133.06509	8.9
133.10144	10.1
134.03635	1.3
135.04417	1.8
135.08063	3.0
135.11734	1.5
136.05223	7.4
137.05969	3.3
137.09625	100.0
137.13200	2.3
142.66444	1.0
142.67500	0.9
143.00189	0.9
143.08562	3.9
144.23703	1.0
145.06546	1.2
145.10150	3.7
146.03638	6.2
147.04419	20.0
147.08051	6.4
147.11699	17.2
149.02368	13.9
149.05995	2.8
149.09634	21.7
151.07562	15.1
156.09378	2.9
161.01317	1.6
161.02937	1.2
161.05986	2.6
161.09592	5.1
161.13251	8.9
163.03854	4.6
163.11201	6.2
163.14897	1.4
164.04688	19.2
165.05479	1.5
165.09117	3.1
165.12782	10.9
171.11696	2.9
174.03137	6.7
174.10399	1.9
175.03923	8.4
175.11642	4.0
176.86894	1.0
177.05464	1.9
179.07042	17.2
179.08549	1.3
179.10666	1.4
179.14259	1.0
183.97461	0.9
189.09129	2.5
189.12711	11.3
189.16374	5.7
192.04182	9.7
192.09303	1.4
207.06541	49.4
207.10103	4.1
207.11922	1.9
207.13802	33.8
207.17374	6.2
208.06818	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	Acetyleugenol
Peak:m/z	Relative Intensity
50.86930	0.9
53.03943	2.7
54.68030	0.8
55.01866	5.7
55.05516	9.6
56.96559	2.9
57.03429	2.8
61.74078	1.1
65.03934	3.5
67.05231	0.8
67.05511	10.0
69.03433	13.4
69.07057	1.1
70.93486	1.1
70.93819	1.9
71.04987	4.0
77.03938	1.6
79.05497	14.2
81.03417	1.8
81.07069	6.7
83.04971	5.3
85.02890	2.7
91.05482	81.2
93.07051	12.5
93.78305	0.9
95.04973	6.8
95.08604	4.1
97.06547	1.4
98.97552	1.0
99.04440	1.3
103.05458	6.8
105.03415	1.1
105.07034	64.7
107.04948	14.2
107.08589	7.5
109.06516	4.2
109.10148	2.9
111.04432	2.6
111.08007	0.9
115.05444	3.1
117.07027	11.8
118.04136	2.6
119.04097	1.9
119.04943	31.4
119.08583	100.0
121.06506	4.3
121.10130	4.4
123.04431	13.8
123.08069	10.2
125.05976	2.3
128.06227	12.9
129.07005	23.2
129.11136	1.1
130.07751	2.2
131.08563	4.2
132.02074	2.2
132.05711	1.1
133.06519	8.7
133.10138	42.9
135.04405	2.3
135.08055	3.0
135.11652	1.2
137.05968	3.5
137.09622	9.6
141.05406	1.2
143.04869	1.1
143.08565	40.8
143.09683	2.4
145.06467	3.7
145.10115	5.1
146.07286	2.8
147.03380	1.6
147.04420	17.9
147.08054	92.4
147.11687	2.8
149.02354	2.7
149.09583	2.7
150.03094	1.1
151.07515	3.4
153.05450	2.4
155.06009	1.2
157.04027	1.6
161.05959	3.7
161.09621	49.0
161.13293	2.6
162.05542	1.2
163.03946	1.0
163.07549	2.0
163.11180	4.7
164.04733	2.7
165.05490	9.3
165.09120	15.6
171.08034	2.4
175.03937	18.2
175.11581	2.5
179.06992	4.5
179.10655	11.8
189.05367	1.3
189.09105	17.7
189.12709	2.7
192.04182	5.4
207.06557	12.6
207.10167	71.4
207.13818	7.7
208.06137	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1017
Annotation	Aristelegone C
Peak:m/z	Relative Intensity
50.02612	1.1
51.02359	1.5
53.03938	2.1
55.01881	12.3
55.05511	9.4
55.33960	1.2
56.96550	5.9
57.03432	2.1
65.03912	2.8
67.05238	1.0
67.05506	12.3
67.34426	1.2
68.99773	1.7
69.03146	1.1
69.03429	13.7
70.16225	1.9
70.16567	4.6
71.04966	3.5
77.03917	2.2
79.05500	18.0
80.07738	1.2
81.03409	2.2
81.07050	9.8
83.04986	3.4
84.08127	3.0
85.02885	2.0
91.05486	69.9
93.03367	1.7
93.07049	10.0
95.04964	9.1
95.08598	6.4
97.06532	2.0
99.04465	2.0
103.05453	5.5
105.03345	3.7
105.07039	65.6
107.04960	14.0
107.08606	9.2
108.01530	1.6
109.06509	3.7
109.10145	3.2
111.04425	2.0
115.05453	13.7
117.07048	9.9
118.04192	1.9
119.04962	25.3
119.08591	100.0
121.06554	6.4
121.10155	3.7
123.04438	68.7
123.08055	10.4
123.11691	1.8
124.04768	2.3
125.05956	3.3
128.06235	12.3
129.07011	22.5
131.04944	3.2
131.08551	4.5
133.06496	11.5
133.10135	46.5
135.08029	3.5
137.02336	3.8
137.05963	5.7
137.09633	9.5
139.03825	2.6
143.04944	9.2
143.08563	40.0
145.06438	2.5
145.10104	6.0
146.07281	1.7
147.03391	2.0
147.04439	24.3
147.08057	88.1
147.11693	4.9
148.08479	1.7
149.05984	1.7
149.09647	2.3
151.03825	6.0
151.07597	6.3
152.04224	5.9
153.05437	3.7
157.03920	1.3
159.04401	1.9
161.04640	2.0
161.05988	31.9
161.09624	49.3
161.13216	3.1
162.05463	1.7
163.03929	3.3
163.11182	4.8
165.05490	14.6
165.09126	15.3
165.12814	2.2
171.07977	2.5
174.52701	4.9
175.03992	9.2
175.11589	1.8
177.05458	3.8
179.00139	4.3
179.06999	7.6
179.10658	11.3
180.00443	2.7
183.53227	5.1
184.00087	1.6
189.05458	4.9
189.09125	20.8
189.12733	3.7
192.04181	2.3
197.01166	4.6
198.01527	3.5
199.98508	1.2
207.03030	1.8
207.06541	19.3
207.10143	74.8
207.13620	10.7
208.06071	3.1
211.97932	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1018
Annotation	Vibralactone C
Peak:m/z	Relative Intensity
53.03942	1.8
55.01884	6.3
55.05515	9.0
56.96568	13.2
57.03438	2.2
57.07079	2.0
65.03941	3.1
67.05170	1.4
67.05510	18.2
69.03436	19.1
69.07065	3.0
71.04990	3.7
71.55215	1.4
76.02238	1.2
77.03934	1.2
77.96877	0.8
79.05502	15.5
81.03416	3.5
81.07074	11.3
83.04987	5.8
84.08133	3.4
85.02898	5.1
88.91640	0.8
89.03907	1.2
91.05491	70.8
93.07051	13.2
95.04977	9.2
95.08617	8.8
97.02892	1.2
97.06525	3.4
97.89938	1.1
97.96823	1.9
98.97594	2.9
99.04462	1.3
103.05496	4.1
105.03397	1.7
105.07042	64.3
107.04967	9.5
107.08597	9.6
109.02885	1.4
109.06519	7.3
109.10196	4.0
111.04427	1.7
115.05463	6.3
117.07028	14.8
118.04141	1.7
119.04969	21.6
119.08594	92.9
121.06497	4.4
121.10157	7.5
121.70131	0.9
123.04444	29.5
123.08094	10.2
123.11736	3.2
124.04708	1.0
125.05998	3.0
127.65398	0.9
128.06236	13.8
129.07018	26.7
129.11191	1.4
130.07800	1.1
131.04959	2.1
131.08578	5.0
132.02078	2.3
133.02835	1.2
133.06502	11.8
133.10149	31.5
135.04398	2.0
135.08057	2.9
135.10020	1.2
135.11700	3.2
137.02371	1.5
137.05965	4.2
137.09630	8.7
139.03908	1.8
141.05449	3.2
141.06963	1.6
143.04965	4.0
143.08571	34.3
145.06516	3.9
145.10135	8.7
146.03659	1.0
146.07256	2.2
147.04427	17.9
147.08060	100.0
147.11690	7.8
149.02353	2.2
149.05997	1.5
149.09644	6.1
150.03137	1.2
151.03893	3.6
151.07536	6.2
152.04231	1.4
153.06999	2.0
156.09419	2.5
157.03946	1.3
159.04411	1.1
159.08156	0.9
159.11789	1.2
161.06006	14.8
161.09630	33.6
161.13309	6.1
162.05539	1.4
163.00699	3.8
163.03938	1.6
163.07549	2.0
163.11188	13.8
165.05507	9.0
165.09113	10.9
165.12782	3.5
171.08081	3.1
171.11656	2.3
174.10393	1.0
174.52724	1.4
175.03917	13.7
175.05302	1.2
175.11627	1.2
177.05466	2.3
179.07048	6.1
179.10661	5.6
179.14334	1.1
180.06604	1.1
181.01752	3.1
183.53290	2.7
189.05469	3.5
189.09129	17.8
189.12737	11.5
192.04204	4.1
197.01224	1.7
198.01587	2.0
207.03352	21.1
207.06435	18.7
207.10191	49.5
207.12007	4.5
207.13853	38.4
207.17278	1.5
208.06094	1.8
225.04362	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	207.0654
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
51.02374	1.0
51.40929	0.6
53.03947	0.9
55.01873	0.7
55.05518	1.2
55.46477	0.7
56.96574	1.7
62.88589	0.7
63.86346	0.8
64.03156	0.6
65.03942	9.7
67.05516	2.3
69.03437	3.0
69.07072	0.8
69.39645	0.6
70.58913	1.5
76.03159	0.7
77.03935	2.9
78.04762	0.8
79.05499	5.5
80.06279	1.6
81.07068	6.2
83.04977	1.0
85.02913	19.4
86.85991	0.6
89.03912	7.2
90.04691	1.5
91.05487	100.0
92.05846	0.8
93.03410	1.4
93.07048	5.2
95.04961	2.1
95.08608	2.5
97.23725	0.8
98.97583	6.5
103.05460	2.2
105.03388	1.3
105.07029	7.1
107.04973	3.6
107.08604	5.5
108.05740	1.6
109.06524	1.9
109.10169	5.3
111.04450	0.8
111.87104	0.7
116.98638	2.2
117.03413	0.9
117.07036	1.3
118.04179	9.0
119.04952	94.0
119.08597	7.9
121.02865	3.4
121.06551	1.2
121.10153	4.1
122.03645	1.2
123.04424	0.9
123.08076	3.0
123.11700	11.2
125.06010	1.9
128.06154	0.8
129.03372	1.9
129.07036	1.3
131.08566	2.0
132.02081	8.8
133.02855	1.5
133.06508	1.1
133.10158	1.4
135.04425	3.9
135.11780	1.2
136.05211	2.7
137.05943	1.4
143.08617	0.9
145.02846	1.6
145.10136	3.1
146.03632	3.1
147.04420	72.3
147.08072	4.0
147.11685	4.4
149.02359	12.6
149.09608	4.7
150.03130	1.0
151.07553	1.9
156.09341	1.4
157.03992	7.2
158.99657	2.6
160.01578	0.8
161.06023	1.3
161.09558	1.6
161.13258	1.7
162.03159	1.2
163.03896	1.6
163.11150	3.0
164.04713	7.3
165.12817	1.2
171.11687	0.9
174.03183	2.0
175.03918	83.7
177.00635	2.0
177.01996	3.6
179.07027	9.2
189.09108	1.1
189.12776	3.7
192.04185	26.3
207.06525	47.6
207.09875	1.7
207.13820	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	206.0815
Annotation	Doryphornine
Peak:m/z	Relative Intensity
53.03947	1.6
54.03469	1.3
55.01874	1.0
55.05525	3.8
56.96565	2.6
57.03439	2.0
60.26097	0.7
65.03949	4.7
67.05510	28.2
69.03438	2.3
69.07057	2.3
71.55364	1.2
72.08137	0.7
73.02928	3.5
77.03928	0.9
79.05492	6.8
80.05009	1.4
81.03434	2.4
81.07051	3.8
82.02943	3.1
82.06591	1.3
83.04990	7.6
84.04517	2.7
85.02908	1.6
85.06528	1.0
85.08923	1.0
88.04007	2.6
89.03926	0.9
91.05491	18.2
92.05853	0.8
93.05800	2.0
93.07066	2.7
94.06586	2.7
95.04974	16.1
95.08607	1.9
96.04514	5.7
96.05766	1.7
97.02891	2.9
97.06537	1.4
98.09689	2.0
98.97590	5.1
101.00880	1.8
101.06038	2.8
102.09167	4.5
105.07043	6.4
106.06588	1.4
106.07290	0.8
107.04962	2.0
107.07367	4.9
107.08607	3.2
108.04513	1.5
108.08125	20.5
108.08877	1.4
109.06535	0.8
110.02415	0.7
110.06061	7.2
110.97626	0.7
111.04482	0.8
113.00892	2.7
115.05464	1.3
115.07580	1.9
115.76376	0.7
116.98615	2.1
117.05791	1.5
117.07073	0.9
118.04227	1.6
118.06564	1.5
119.01932	2.7
119.04948	10.9
119.08602	2.4
120.08101	1.6
121.02882	0.9
121.06522	1.7
121.08889	2.3
122.06056	2.7
122.09674	7.9
123.08089	0.7
125.05995	2.0
128.10741	6.0
131.01903	5.2
131.08539	1.9
132.02100	1.9
132.08090	1.5
133.06522	1.2
133.10127	1.4
134.03889	0.8
134.05951	2.0
134.09621	1.5
135.06825	2.5
136.03940	0.7
136.05243	0.8
137.06032	1.0
138.92503	0.7
139.53517	0.9
141.03709	0.7
141.04781	1.3
143.07037	1.6
146.06032	8.3
147.04448	9.8
147.54868	0.7
149.02361	2.3
149.09558	1.8
150.02702	1.8
150.09149	36.5
151.07567	1.4
152.07047	0.9
153.05508	0.8
154.05003	11.4
156.10274	0.8
157.03951	1.0
158.99670	1.7
160.07576	1.1
161.05974	1.2
161.09665	0.8
163.03891	0.7
164.04816	0.9
167.07068	3.8
174.03145	0.9
174.05513	1.1
174.11282	13.3
175.03929	8.9
176.04955	1.4
178.08643	100.0
179.05623	0.7
179.07050	3.8
179.08795	1.8
182.99590	0.8
185.02965	0.9
185.05547	1.4
188.07074	0.9
191.14273	1.0
192.04198	2.8
201.00725	2.3
206.08136	65.9
206.13702	6.5
206.15544	6.6
207.05023	0.8
207.06601	6.1
207.08347	1.4
207.13860	1.7
210.03636	1.3
225.06041	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.045
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
52.05396	0.2
52.30157	0.2
52.55946	0.2
53.03942	0.3
55.05510	0.4
56.96563	0.4
57.03432	0.2
70.93373	0.5
81.03410	0.3
83.04996	0.8
84.08138	0.6
88.37718	0.2
95.48561	0.3
97.02908	0.4
98.09713	0.3
98.97605	0.4
101.06006	0.4
102.09182	0.7
104.05016	0.4
105.03434	1.2
105.07024	0.3
106.07349	0.4
107.04954	0.4
120.52390	0.2
128.10724	0.7
132.04466	3.3
134.06839	0.7
135.09605	0.2
144.10185	1.0
150.05528	1.5
151.03900	0.6
153.01970	0.2
153.99591	0.2
160.03900	1.1
162.06340	0.9
172.05792	0.3
174.11282	1.5
178.05000	100.0
179.05354	0.9
201.00711	0.6
206.04495	37.0
206.11821	1.3
206.13901	0.8
207.04767	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.05502	1.6
56.96569	5.6
57.03413	0.5
57.07067	0.4
61.02913	0.5
67.05499	0.9
68.99797	0.4
69.03444	0.6
69.87828	0.8
69.88237	1.4
70.02950	1.1
70.98128	1.2
71.04971	0.4
71.95254	0.6
72.04505	0.6
73.02916	0.5
77.03939	0.7
79.05490	0.9
81.03410	1.1
81.07059	0.6
83.04990	5.2
84.08157	0.5
84.96035	0.6
85.02897	1.1
85.08897	0.9
87.00834	1.9
87.08105	0.5
91.05486	5.3
93.07039	3.5
95.04983	2.6
95.08618	1.0
97.02891	0.7
97.06493	0.5
98.09700	1.6
98.97588	6.4
101.06006	2.4
102.04704	0.4
102.09190	3.5
103.05470	15.3
105.03394	14.1
105.04550	1.0
105.07037	0.9
106.03711	0.6
107.08596	1.3
108.04523	0.4
110.97579	0.8
111.04432	1.0
111.08083	0.4
111.71248	0.3
112.11428	0.4
113.46697	0.4
115.07568	0.9
116.98656	2.8
117.05731	0.4
117.07024	0.5
118.06548	20.9
119.01907	0.5
119.04929	1.3
119.08564	1.0
120.08110	100.0
121.06535	0.4
121.08458	1.1
123.08092	0.7
125.06028	0.6
128.04962	1.6
128.10716	6.0
128.98608	1.3
129.05421	0.6
131.00156	0.4
133.10136	1.0
134.99657	0.9
135.11723	0.4
137.02325	0.8
143.00185	1.0
143.07059	1.5
144.04459	2.0
146.06012	14.0
146.10501	0.4
146.99747	0.5
147.04405	1.3
147.11746	0.5
149.01228	1.3
149.02388	0.9
150.02740	0.8
150.97067	0.6
152.02272	0.5
156.10231	0.7
158.05984	0.5
158.99675	1.3
160.07552	0.9
161.01251	0.9
161.69521	0.3
165.93338	0.4
168.98096	1.2
174.11261	11.1
175.03955	1.2
177.00696	0.8
179.03398	2.2
182.99588	0.9
186.99117	2.5
188.07083	10.6
191.14388	0.6
201.00723	1.2
205.00189	0.7
206.08122	5.3
206.09822	0.5
206.11964	1.0
206.13858	7.2
207.06557	0.6
219.01779	1.2
221.04663	0.6
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-Chamipinene
Peak:m/z	Relative Intensity
53.03936	1.8
55.05515	18.0
56.96561	1.2
57.07087	11.4
60.90642	1.2
65.03927	4.4
67.05509	17.1
69.07072	31.5
71.08614	2.4
79.05502	17.1
81.07060	59.3
83.08623	18.3
91.05467	9.0
93.03395	1.5
93.07050	63.8
95.04987	1.2
95.08610	41.9
97.02892	1.4
97.10171	9.3
98.21637	1.9
105.07009	6.4
107.08601	49.2
109.10159	38.6
110.51976	1.3
111.11705	3.7
119.06073	1.2
119.08579	2.6
121.02860	9.1
121.03875	1.6
121.10150	100.0
122.98895	1.2
123.11709	29.0
128.10753	1.5
135.11697	40.6
137.13240	2.8
149.02351	65.4
149.13268	72.2
150.02586	1.5
163.14828	9.0
174.11234	1.8
205.19540	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	205.1953
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
52.65990	0.6
53.03944	1.8
55.05262	1.0
55.05513	11.1
57.07079	3.2
57.91265	0.6
60.27693	0.8
65.03948	1.1
67.05510	11.2
69.07073	16.0
69.95255	1.6
69.95672	1.6
71.08633	1.7
76.32332	0.6
79.05505	11.6
81.07064	55.1
82.07380	0.6
83.08627	5.4
91.05488	7.4
93.07052	51.2
95.04955	0.9
95.08615	28.7
96.08966	0.6
97.10164	5.3
98.20683	0.8
105.07047	4.5
107.08603	32.5
109.06554	1.1
109.10164	24.0
111.11746	1.8
117.85896	0.7
121.02882	1.6
121.10153	100.0
122.10540	1.5
123.11720	10.9
135.11708	19.2
137.13268	1.3
149.02383	8.1
149.13278	40.5
163.14851	4.0
205.19559	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	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03946	2.7
55.05517	22.0
57.07081	15.9
65.03951	4.8
67.05509	24.2
69.03428	2.2
69.07072	32.3
70.20363	3.3
70.20758	3.9
71.08627	4.2
72.14121	1.7
79.05502	25.7
81.07059	86.2
83.00220	1.9
83.04984	4.0
83.08620	11.6
91.05502	12.2
93.03381	2.2
93.07048	83.0
95.04927	2.3
95.08614	53.4
97.02891	5.2
97.10188	11.6
102.09203	2.4
105.07030	9.0
105.14466	1.7
107.07875	4.1
107.08600	75.0
109.02874	1.9
109.09463	3.8
109.10165	47.7
111.11732	3.0
119.08617	3.1
121.02863	7.6
121.06537	2.5
121.10151	91.9
123.11718	100.0
128.10721	2.4
131.08537	2.5
135.10692	4.2
135.11705	84.8
137.13220	2.1
145.10077	2.3
147.11691	2.1
149.02356	53.0
149.13269	79.8
163.14824	9.5
167.03423	5.0
173.75114	2.2
174.11266	5.7
205.05168	2.1
205.08643	4.5
205.12302	2.6
205.19537	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	205.1953
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
50.68308	1.1
53.03949	2.5
55.05264	2.1
55.05515	29.6
57.07084	8.5
65.03932	2.4
67.05179	2.4
67.05510	30.1
69.07076	35.0
70.13507	2.2
70.13871	5.2
71.08623	3.2
77.65134	1.3
79.05502	24.6
81.03405	1.2
81.07066	78.3
81.25719	1.1
83.04971	2.9
83.08627	13.3
91.05485	9.7
93.07053	78.5
95.08617	79.8
97.10189	12.9
98.20798	1.9
102.09174	1.6
105.07048	7.4
107.08607	59.6
109.10167	78.4
111.11745	4.0
116.01685	1.1
121.06509	1.4
121.10157	100.0
121.33183	1.2
122.10449	1.7
123.11722	34.5
128.10742	1.7
135.11707	53.8
136.12056	1.6
137.13274	3.0
149.02339	8.0
149.13272	77.9
163.14830	7.2
167.03389	1.2
174.11292	3.0
205.19539	52.4
205.21461	2.8
206.13895	1.4
206.19788	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
52.13694	0.9
53.03936	2.8
55.05511	15.9
56.96581	2.2
57.07075	10.1
65.03930	5.2
67.05512	13.4
69.03432	1.4
69.07075	21.3
69.85272	1.2
71.08646	1.6
77.45406	1.0
79.05492	15.7
81.03388	1.3
81.07059	55.5
83.04981	7.6
83.08626	10.2
85.02899	2.7
85.08907	1.1
87.87950	1.1
91.05477	9.7
93.03384	1.9
93.07046	60.6
94.52637	1.0
95.04939	1.4
95.08607	30.8
97.02880	4.0
97.10188	5.7
98.09706	1.6
98.20722	3.0
99.87904	1.0
101.06052	2.9
102.09187	4.3
104.55489	1.0
105.07047	8.6
107.08598	40.8
109.02897	2.6
109.06543	1.1
109.10162	27.2
111.04450	1.8
111.11723	1.9
111.35531	1.1
113.96325	1.2
115.07553	1.7
117.07028	1.7
119.08569	1.6
121.02863	6.2
121.03972	1.7
121.06495	2.8
121.10146	100.0
123.11721	15.5
127.03913	2.0
128.10675	5.8
135.11685	25.3
137.13206	1.2
143.06976	2.0
145.02840	1.3
145.10126	2.7
149.02348	57.0
149.09615	1.7
149.13268	57.5
150.02684	1.3
159.11760	1.4
163.14825	4.4
167.03517	2.5
174.11266	13.9
177.12787	1.5
205.04964	2.4
205.08730	3.7
205.12317	5.0
205.14156	3.6
205.15958	3.3
205.19521	24.1
206.13887	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	205.1953
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.03964	3.1
55.05518	31.4
57.07097	11.1
57.68427	1.6
65.03978	1.8
67.05515	28.4
69.07078	52.9
69.56745	1.9
69.64204	8.0
71.08636	3.0
79.05502	21.3
81.07064	85.3
81.74552	1.7
83.08638	23.7
89.08092	1.6
91.05500	10.7
93.06480	3.0
93.07057	57.3
95.08617	100.0
97.10183	18.7
105.07034	8.4
107.08609	79.0
109.10169	65.9
111.11738	7.9
119.08647	1.7
121.10159	63.3
123.11723	24.6
135.11702	61.7
137.13283	4.5
149.13281	85.3
150.13612	2.7
163.14857	16.7
181.64705	1.6
205.19554	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1226
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02386	0.6
51.84303	0.4
53.03939	3.1
55.01867	1.3
55.05515	2.0
56.05846	0.9
56.96559	1.3
57.07068	2.1
58.99581	1.6
59.99924	0.7
60.88456	0.4
60.98756	0.4
65.03935	1.8
67.05505	2.7
69.03443	3.2
69.07067	0.9
69.48555	3.7
71.04990	1.7
77.03946	1.5
78.04698	0.6
79.05493	5.1
80.05837	0.4
81.03412	1.0
81.07065	6.1
82.07397	0.8
83.04991	1.4
85.02908	1.1
86.99042	0.8
88.03992	0.7
91.05488	17.9
93.07053	54.4
94.07388	0.7
95.04974	4.4
95.08620	1.4
97.02898	2.3
97.06556	2.9
98.21446	0.9
98.97600	5.0
99.04453	1.5
100.11258	1.7
101.00935	0.5
101.11602	1.6
102.09174	0.9
103.05495	1.0
105.04513	1.5
105.07040	15.9
107.04967	1.2
107.08606	4.8
109.02876	0.9
109.06531	16.0
109.10191	0.7
115.05435	2.3
116.06264	0.9
116.98661	1.3
117.07034	9.6
118.06571	0.8
119.08595	6.9
121.06516	100.0
121.10120	2.6
122.06863	0.9
123.08055	1.2
127.03889	0.6
128.06233	1.1
128.10718	1.0
129.07021	3.9
130.05659	0.5
130.07780	6.1
131.04961	0.6
131.08586	9.2
133.10144	3.1
133.70901	0.4
135.04405	0.9
135.08063	2.6
135.11711	1.9
141.06996	0.7
143.07500	0.5
143.08597	3.3
144.09348	5.6
145.02843	1.0
145.06482	2.6
145.10132	55.7
146.06058	2.2
146.10762	0.7
147.08064	1.1
147.11716	1.4
149.02356	9.8
149.05978	1.5
149.09645	0.9
149.13295	0.7
154.07820	0.6
155.06099	0.6
157.10190	0.9
158.99715	0.9
159.08170	2.1
159.11702	23.3
161.09639	0.9
161.13295	0.8
163.07613	1.3
163.11246	4.3
169.10135	3.0
172.08820	1.1
173.06032	0.9
173.13293	0.6
174.11258	0.8
177.00746	0.7
177.05513	0.5
177.09097	0.6
177.12747	2.7
187.03931	0.6
187.07608	0.9
187.11188	11.5
187.14847	1.5
188.06905	0.9
188.08282	1.3
205.04999	3.6
205.06870	0.9
205.08752	1.7
205.12276	40.4
205.15932	2.6
206.12445	0.9
206.22629	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0973
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
53.31640	0.5
54.94196	0.4
56.30696	0.5
71.15599	1.3
74.02438	1.4
91.05502	1.5
92.02799	0.5
99.31636	0.6
105.12634	0.7
115.05501	2.5
115.26016	0.5
117.05758	1.5
117.07034	2.6
118.06551	41.1
130.06537	2.9
132.08096	10.2
142.06496	3.9
143.07321	6.1
144.04448	0.8
144.08095	20.5
146.06020	100.0
147.06364	1.0
148.77994	0.5
150.28081	0.6
155.06058	0.5
159.09198	9.5
160.07619	0.9
170.06004	6.8
188.07077	77.3
189.07397	0.8
205.09660	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1227
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
53.03951	2.3
55.01881	1.0
55.05515	100.0
55.40311	0.4
56.05848	0.8
56.96571	3.4
57.03447	0.9
57.07084	4.3
57.14793	0.4
58.99591	8.1
59.05009	0.9
60.04522	1.4
61.02939	0.7
65.03955	2.7
67.05498	1.3
68.99784	0.5
69.03437	2.9
69.07069	0.9
71.04993	1.0
71.46701	0.6
74.02427	0.5
78.95305	0.6
79.05502	3.0
81.03436	2.1
81.07057	2.3
83.04985	1.2
83.08626	76.9
84.04488	0.4
84.08105	0.5
84.08961	0.9
85.02912	35.9
85.06548	0.6
86.03225	0.4
86.98203	0.4
86.99061	8.2
87.48276	0.4
88.02222	2.0
89.03915	0.9
91.05490	6.0
93.03377	0.5
93.07058	6.4
95.05005	2.0
95.08624	1.2
97.02895	4.1
97.06526	0.7
98.97591	1.9
99.04464	1.1
99.20782	0.4
101.09667	2.8
103.05496	2.4
105.00083	6.8
105.07038	12.8
107.04948	1.5
107.08595	6.2
109.02920	2.3
109.06542	2.0
110.97578	0.7
111.04465	1.1
115.05424	4.8
116.06242	0.5
116.98625	0.8
117.03471	0.5
117.07033	4.6
118.06548	5.0
119.01917	0.7
119.04930	1.3
119.08595	11.7
121.02881	3.6
121.03970	0.8
121.06510	4.6
121.10157	8.4
122.62843	0.5
123.04438	1.7
123.08073	1.4
125.06046	0.5
127.03923	1.3
128.06253	0.9
128.10683	0.6
129.07014	2.7
130.07787	1.7
131.04948	2.9
131.08583	4.3
132.08090	1.8
133.06502	16.6
133.10124	1.6
135.04448	0.8
135.08083	1.8
135.11713	1.6
137.05978	0.7
139.03911	1.3
141.07042	1.0
142.06512	0.9
143.07294	1.0
143.08546	1.2
144.05696	0.6
144.08115	2.1
144.09322	1.5
145.02840	3.0
145.06549	2.4
145.10129	7.2
146.04976	0.4
146.06032	10.6
146.07195	0.6
147.04460	0.6
147.08058	4.2
147.11636	0.7
149.02357	27.6
149.05911	2.1
149.09602	0.9
149.13269	0.5
150.02646	0.7
151.03958	1.0
155.06013	0.8
157.10162	1.3
159.04440	2.2
159.08069	10.2
159.09213	1.4
159.11684	4.5
160.05220	0.5
161.05991	17.2
161.09656	2.3
162.10396	0.5
163.02760	0.6
163.03949	0.6
163.07587	2.6
163.11180	10.9
164.08333	1.5
169.10103	0.6
170.06020	1.3
171.05530	4.2
172.08867	1.3
174.11296	0.9
175.07512	0.7
175.11198	1.8
177.00716	0.7
177.05486	2.3
177.09044	2.0
177.12769	2.4
178.04997	0.9
181.02832	0.5
181.97842	0.7
187.03844	3.7
187.07556	0.9
187.11179	2.7
188.07077	9.8
190.09941	0.5
197.01231	1.0
205.04964	8.8
205.08649	2.3
205.12254	65.0
205.13954	2.4
206.12386	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.0
55.01871	8.5
55.05267	1.9
55.05516	29.9
56.05037	2.8
56.96564	2.2
57.07089	5.6
57.98816	1.6
58.99590	69.4
60.04535	11.2
61.01151	11.3
67.05509	2.0
68.05029	3.2
69.03442	1.8
69.07071	3.6
69.91174	4.3
70.06588	2.3
70.46734	1.1
73.01146	20.8
73.02914	1.1
74.00665	4.3
76.02236	19.6
78.87214	1.1
79.05504	11.3
81.07059	60.1
82.06578	1.4
83.08624	13.6
84.04516	7.6
85.01134	5.1
85.02895	2.4
86.99061	41.7
87.02704	3.5
88.02226	5.3
88.03996	4.3
91.05495	2.8
93.07050	7.0
95.08630	1.9
96.04492	4.6
97.02906	4.5
98.06038	1.6
98.09726	1.9
99.02699	5.3
100.11262	100.0
105.00099	19.6
107.08593	3.3
109.06571	1.8
112.11240	2.9
113.04237	1.4
114.05553	2.8
115.05810	20.7
116.05333	10.0
119.08615	2.2
120.01148	1.4
120.08920	1.2
121.06505	16.2
124.11230	1.6
126.05528	5.5
132.08517	1.3
133.06651	1.3
136.06165	1.8
138.05518	1.9
139.29234	1.1
141.07317	7.0
145.10127	5.6
149.02403	2.8
158.09985	36.2
159.11682	2.3
171.11211	1.6
187.07890	72.2
188.08238	2.0
188.10788	1.9
189.11487	3.1
204.08681	5.5
204.10526	33.2
204.13672	13.1
205.04977	1.3
205.12260	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	205.086
Annotation	Cladoacetal A
Peak:m/z	Relative Intensity
53.00095	0.3
53.00328	0.7
53.03951	0.2
55.01865	0.4
56.96561	0.3
57.07085	0.3
65.03944	5.3
68.84016	0.2
69.07073	0.3
69.87762	0.3
69.88165	0.5
91.05433	0.2
93.03419	3.7
95.01347	0.5
103.01832	0.4
111.04467	0.4
121.02871	4.2
121.03899	0.3
124.11033	0.2
131.00330	0.3
131.01299	6.4
137.02376	1.3
149.02350	100.0
150.02739	1.0
157.58496	0.2
163.03880	0.8
167.03407	69.3
168.03741	0.6
173.10835	0.2
174.08350	0.2
205.08609	44.4
206.08986	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
52.99665	1.0
53.03944	1.2
55.05512	9.5
55.35095	1.2
57.07071	2.4
58.80213	1.2
60.04498	2.0
65.03951	1.2
67.05509	21.4
68.05014	2.6
68.77673	1.0
69.03406	1.0
69.07071	13.8
71.05703	2.3
79.05496	15.3
79.89895	1.1
81.03402	1.1
81.06586	1.6
81.07060	33.3
83.08601	4.1
83.41492	1.0
84.04493	5.1
84.79204	1.2
91.05483	22.2
93.06478	1.7
93.07047	27.1
95.08614	58.3
96.04475	2.6
97.02868	2.9
97.10194	1.4
98.06059	1.1
103.05432	1.4
105.07040	46.4
107.08603	39.4
109.05802	1.3
109.10158	32.4
114.05552	2.7
119.06092	1.7
119.08586	48.8
121.09313	2.1
121.10149	25.6
123.11726	5.0
126.05523	6.8
131.08591	2.6
133.10138	38.3
135.11690	5.9
144.06496	1.6
145.10143	4.4
147.11697	66.0
159.11725	3.9
160.12442	3.4
161.05960	1.0
161.13261	16.4
175.14835	6.9
203.05296	1.2
203.07082	2.4
203.10619	3.1
203.17966	100.0
204.08696	2.7
204.13866	2.0
204.18297	1.5
209.69272	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
55.05519	5.6
65.15350	1.0
67.05510	19.1
68.05032	2.6
69.07077	7.4
70.99372	1.6
70.99728	2.2
79.05488	7.6
81.07065	30.2
83.08602	3.6
83.61306	1.0
84.04494	4.3
91.05494	15.5
93.07048	20.8
95.04961	1.1
95.08612	66.5
95.34366	1.1
96.04484	3.2
97.02904	2.2
97.10207	1.5
103.05531	1.2
105.07040	41.2
107.08603	40.3
109.10159	38.0
109.10690	0.8
109.10907	1.2
112.08396	1.1
114.05527	1.5
117.07063	1.6
119.08590	35.3
120.05564	1.1
121.10157	21.4
123.11692	7.0
126.05515	6.1
131.08560	1.2
133.10138	33.0
135.11691	3.9
145.10095	3.1
147.11694	50.2
159.11659	1.5
161.08220	1.8
161.13261	22.0
162.08620	2.1
171.42322	1.0
175.14861	7.2
203.03314	1.0
203.07077	2.1
203.10770	1.7
203.17967	100.0
204.08682	2.5
204.13892	1.6
204.18336	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	203.1796
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03946	1.1
55.01856	1.0
55.05510	6.1
57.07072	1.2
60.04507	1.5
65.36205	0.9
67.05173	1.5
67.05511	19.8
68.05029	1.5
69.07075	10.4
71.55041	1.1
79.05499	12.9
81.07063	31.4
83.08617	3.4
84.04504	6.0
85.02876	1.4
91.05482	18.2
93.07052	24.9
95.04964	1.9
95.08614	54.3
96.04488	2.4
97.02890	3.0
97.10194	1.2
98.06024	1.2
101.26769	1.0
105.07037	41.7
105.59092	1.0
106.92413	0.9
107.08603	39.6
109.10162	33.5
114.05527	1.9
119.08590	38.8
120.05593	0.9
121.09312	1.7
121.10155	24.6
123.11696	5.3
126.05515	6.7
128.85539	1.1
131.08551	2.2
133.10138	32.2
135.11713	6.7
138.05463	1.0
142.07817	1.1
145.10132	3.6
147.11694	56.4
157.10086	1.0
159.11688	1.8
160.08817	1.2
160.12506	1.7
161.08223	1.2
161.13272	19.4
162.08597	1.1
175.14821	8.4
203.05283	1.2
203.07063	3.2
203.10739	3.6
203.17972	100.0
204.08626	3.2
204.13840	2.1
204.18294	1.9
220.73827	1.0
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
50.19768	1.0
55.02775	1.0
55.05516	5.9
56.19063	1.2
57.07055	2.2
65.10168	1.0
67.05511	18.4
69.07064	10.0
70.01842	5.8
70.43962	1.1
74.61626	1.2
79.05494	14.1
81.07061	29.7
83.08607	3.2
91.05482	17.2
93.07047	25.8
95.08614	64.1
97.10168	1.5
98.21486	1.4
105.07037	42.0
107.08602	35.3
109.10164	33.4
109.10922	1.8
117.44399	1.3
119.08593	31.0
121.10154	25.9
123.11713	6.8
131.08580	1.7
133.10143	34.1
135.11684	4.8
145.10124	2.0
147.11697	55.6
159.11729	2.1
161.13258	14.5
175.13460	1.5
175.14845	9.2
203.17967	100.0
214.82626	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03932	1.3
55.05515	8.2
56.96538	0.9
57.07068	2.3
57.65774	0.8
60.04515	1.0
67.05180	1.2
67.05510	20.3
69.07066	12.4
71.08636	1.1
71.24493	2.1
79.05113	1.1
79.05502	10.3
81.07060	30.7
83.08612	4.0
91.04897	1.0
91.05482	17.5
93.07050	18.6
95.08611	68.9
97.02900	1.1
97.10174	1.1
100.02459	1.1
105.07036	60.3
107.08597	32.0
109.10163	37.2
109.10923	1.6
117.06991	2.7
119.08583	64.2
121.10148	19.0
123.11723	8.8
131.08534	2.5
133.10136	44.7
135.11668	4.2
145.10101	5.1
147.11693	71.9
159.11679	2.8
160.12428	2.2
161.11990	1.5
161.13272	23.8
175.14813	7.3
203.06999	1.2
203.17958	100.0
204.13890	1.9
204.18396	1.1
204.85608	0.9
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
51.49467	1.1
53.03918	1.3
55.05515	7.5
57.07065	3.3
65.03942	1.1
67.05177	1.5
67.05509	22.1
69.07066	13.1
70.14266	2.8
73.85823	1.2
79.05493	10.4
81.06586	1.7
81.07056	33.3
83.08601	3.6
91.05477	16.9
93.06480	1.9
93.07049	22.5
95.08613	63.3
100.01171	1.1
105.07034	57.0
107.08601	32.5
109.10155	37.8
113.64014	1.2
119.08589	46.2
121.09319	2.0
121.10151	29.9
123.11713	9.0
129.07021	1.4
131.08539	3.4
133.10133	40.4
135.11684	5.2
145.10155	6.7
147.11697	83.2
149.13263	1.2
159.11690	1.5
160.12476	2.8
161.13257	19.5
171.88866	1.3
173.13287	1.2
175.14847	8.9
203.07077	2.4
203.17964	100.0
204.18135	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
55.05520	4.6
57.07063	1.0
64.94861	0.8
65.03950	1.0
67.05175	1.6
67.05505	18.1
69.07079	9.0
69.68306	0.8
70.78301	0.8
70.78638	1.7
78.50299	0.9
79.05493	6.3
81.07061	27.8
83.08606	1.9
91.05482	14.4
93.06477	1.4
93.07050	23.9
94.38523	0.8
95.08610	63.0
97.10139	0.9
105.07037	44.6
107.07867	1.8
107.08598	35.5
109.10160	44.6
111.11672	1.2
118.05225	1.0
119.08585	33.6
121.10156	19.3
123.11710	7.0
128.33011	0.9
133.10135	24.1
135.11720	2.3
145.10117	1.7
147.11696	44.3
161.02313	1.7
161.13266	18.8
163.19885	0.9
175.14821	10.9
190.85378	0.9
201.75529	0.9
203.07033	5.1
203.17961	100.0
204.18353	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03930	0.9
55.05517	6.0
56.96564	5.9
57.07048	1.0
60.04519	3.1
67.05508	19.7
68.04996	1.1
69.07076	7.8
76.10069	0.8
79.05495	7.4
81.06586	1.5
81.07064	29.9
82.01442	2.0
83.04990	1.1
83.08618	2.5
84.04488	2.3
91.05480	13.9
93.07054	20.8
95.04998	1.3
95.08614	66.5
96.04485	1.5
96.08891	0.7
97.02909	1.6
97.10155	1.2
98.21470	2.5
100.02498	8.1
103.05504	1.4
105.07038	40.0
107.07873	1.4
107.08601	35.1
109.10168	40.1
111.44292	0.8
114.05524	1.0
117.07005	1.7
118.03530	4.7
119.08588	28.6
121.10153	19.1
123.11720	7.6
125.05449	0.8
125.51328	0.7
126.05515	2.5
129.06970	1.3
131.08600	1.9
133.10147	26.0
135.11697	3.7
143.08577	1.4
144.06662	0.8
145.10152	2.6
147.08054	1.2
147.11694	44.5
156.97487	1.5
157.10104	0.9
159.11685	1.1
160.12511	1.1
161.06000	0.9
161.09677	1.6
161.13266	16.4
174.98526	1.7
175.07565	0.8
175.14839	9.7
179.98100	2.3
197.99130	6.4
203.05353	1.0
203.06927	4.1
203.10690	3.1
203.14297	3.0
203.17972	100.0
204.08688	1.7
204.13847	3.7
204.18353	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1066
Annotation	Ligujapone
Peak:m/z	Relative Intensity
53.03953	14.9
55.01872	0.8
55.05505	1.9
56.96566	1.6
57.33096	0.7
67.05516	3.4
69.03420	3.0
69.07059	2.2
69.40199	5.2
69.81924	0.8
69.98735	0.6
79.05476	3.5
81.07052	2.6
85.02891	0.9
91.05488	9.5
93.07052	13.3
95.04948	2.3
95.08618	4.1
96.04460	0.8
97.02895	2.1
99.04517	0.7
100.02465	1.0
101.74772	0.6
103.05502	0.8
105.04512	0.6
105.07040	17.6
107.08596	3.3
109.02888	59.4
109.06548	0.8
109.10160	3.2
111.04426	1.8
115.05453	5.5
117.07036	6.1
119.04942	0.6
119.07806	1.3
119.08591	16.3
121.06514	13.0
121.10126	2.7
128.06224	6.4
129.07024	12.0
130.06526	1.0
130.07799	0.9
131.04944	1.2
131.08565	7.5
133.06511	1.8
133.10141	7.1
135.07994	1.0
135.12732	0.7
137.05946	0.8
141.06972	7.4
142.07785	36.7
143.04918	1.2
143.08569	7.0
144.09346	7.3
145.06522	4.8
145.10107	3.0
146.07317	1.4
147.04366	0.7
147.08073	4.4
147.11702	10.4
152.06195	1.0
155.06067	1.0
155.08635	0.9
156.09343	0.9
157.06508	1.9
157.10133	36.1
158.10844	0.8
159.08022	2.0
159.11711	5.2
160.05254	2.0
160.08875	5.0
161.05948	2.2
161.09679	4.3
161.13304	1.6
165.06924	0.7
167.08588	1.2
170.07335	4.5
171.08046	2.3
174.06796	1.6
175.07555	4.7
175.11186	7.7
175.14882	1.7
185.06070	1.0
185.09627	25.0
185.13258	1.5
188.08336	9.0
203.07028	5.7
203.10681	100.0
203.14349	4.6
203.17987	8.3
204.08723	1.2
204.10992	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.05511	6.4
56.05040	16.6
57.98815	1.0
58.99593	29.4
61.01131	0.9
69.21171	8.0
70.06567	1.2
74.00677	1.6
76.02229	5.2
79.05502	30.3
79.05965	1.5
80.05003	1.7
81.07067	20.7
82.06586	9.3
84.43485	0.7
84.92780	0.7
85.01136	100.0
86.00663	14.5
86.01459	1.3
86.98547	1.0
86.99067	18.1
87.02674	2.1
88.02208	3.1
88.03996	2.1
94.06568	1.0
94.69221	0.9
95.04979	1.1
96.08130	2.1
97.08926	6.5
98.09702	25.5
100.02186	1.0
105.00089	8.1
105.07024	1.0
110.09646	1.2
113.04241	38.4
120.01157	3.1
122.09659	1.8
131.01587	1.1
132.01158	11.4
139.05807	1.0
156.08432	5.8
159.04807	1.3
160.07608	1.1
176.04756	0.8
185.06380	4.6
202.08980	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	203.0703
Annotation	Frustulosin
Peak:m/z	Relative Intensity
51.02384	0.3
53.03947	0.4
55.01879	0.9
55.05511	1.1
56.96561	0.2
57.03460	0.4
57.07076	0.3
64.20888	0.2
64.21220	0.2
65.03943	1.5
66.39535	0.2
67.01467	0.1
67.01842	0.3
67.05513	3.2
68.33564	0.2
68.48695	0.2
68.99802	0.2
69.03425	0.3
69.07066	1.3
71.37846	0.3
77.03928	1.2
79.05492	3.2
81.03428	0.3
81.07063	8.3
82.01461	0.3
83.01308	0.2
83.04998	0.2
83.08626	0.4
89.27929	0.2
91.05486	9.3
93.03410	0.7
93.07055	4.0
95.01334	2.3
95.04973	0.5
95.08612	8.5
97.10167	0.4
100.02505	0.6
103.05473	0.9
104.06268	0.6
105.03400	3.8
105.07037	9.6
107.01345	0.2
107.04955	1.4
107.08603	4.9
108.90468	0.2
109.06518	3.3
109.10162	6.0
109.10931	0.3
115.05491	1.0
116.06224	0.5
117.03372	0.3
117.07024	1.9
118.03518	0.2
119.04946	1.7
119.08591	12.7
120.02087	0.6
121.02892	1.1
121.06504	0.3
121.10157	2.6
123.00785	1.3
123.04472	0.2
123.11742	0.9
128.06239	3.0
129.07014	5.3
131.01294	0.8
131.04919	0.9
131.08562	1.0
132.05708	1.3
133.02863	4.4
133.06461	1.4
133.10144	4.5
135.04382	0.4
135.07994	0.2
135.11674	0.6
141.06996	0.6
144.05704	1.6
145.02850	0.3
145.06506	0.4
145.10127	0.5
146.03616	0.3
147.04428	2.2
147.08054	10.2
147.11696	6.0
149.02351	9.2
151.03917	4.4
155.06036	0.4
157.06485	2.5
157.07715	0.3
157.10046	0.2
158.07285	0.3
159.04530	0.2
159.08096	0.4
160.05209	2.1
160.12503	0.2
161.02350	23.7
161.05980	9.1
161.13272	3.0
162.02710	0.2
163.03912	4.3
165.01866	0.2
167.03412	6.9
174.03140	0.3
175.03920	5.0
175.07545	5.4
175.14839	2.0
179.03453	0.3
180.20039	0.2
182.05809	0.3
185.05989	9.2
188.04674	1.1
191.06314	0.8
191.56404	0.2
192.04213	0.4
193.08629	0.3
197.53891	0.2
197.99168	0.4
201.05508	0.3
203.07039	100.0
203.17960	12.4
204.07310	1.4
206.05830	0.3
221.08098	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1641
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03937	1.3
55.05511	5.9
56.96558	2.3
57.07064	2.7
61.30980	0.7
65.03926	1.0
67.05513	6.3
69.07075	7.1
70.10165	2.6
79.05495	7.7
81.07065	13.2
83.08604	1.8
84.96027	2.2
91.05480	10.0
93.07053	12.1
95.04977	0.8
95.08057	1.0
95.08612	13.5
98.21426	0.9
98.97580	4.9
105.07039	18.7
107.07870	1.1
107.08601	18.9
109.10159	3.8
112.99120	1.8
115.05479	3.2
116.98602	1.5
117.07025	12.5
119.08580	14.1
121.10155	7.4
123.11721	0.8
128.06213	1.1
129.06996	4.3
130.07806	4.0
131.00198	3.1
131.07585	1.4
131.08575	28.7
133.10143	10.0
141.06993	2.1
142.07773	1.6
143.08588	5.9
144.09349	6.8
144.98079	2.1
145.06517	1.6
145.10133	56.3
146.10846	2.0
147.11716	1.8
149.01242	1.3
155.08511	0.9
157.10141	5.6
158.03662	1.7
158.07271	1.4
158.10922	2.7
158.99670	1.5
159.08101	1.3
159.11700	53.7
160.12297	1.0
162.99179	1.9
169.47118	0.7
171.11700	4.3
172.12454	2.0
173.05992	2.9
173.09628	1.5
173.13271	15.5
177.00766	0.9
183.08055	1.1
183.11697	0.9
186.06778	1.0
186.14053	1.9
199.14835	0.9
201.05466	5.3
201.09142	4.7
201.12758	4.3
201.16394	100.0
202.16742	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	202.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90430	1.0
54.80279	1.0
59.53605	0.9
64.94712	0.9
65.38214	1.2
70.19917	3.6
82.01463	2.6
82.99857	3.4
97.98039	1.0
98.97582	1.2
100.02479	6.3
101.00893	36.0
112.24474	1.0
118.03516	2.8
118.96842	0.9
119.01931	100.0
119.96759	1.1
120.02023	5.0
120.89713	1.0
120.96503	1.5
121.01640	1.4
124.02468	3.4
128.00766	1.2
137.01974	1.7
137.02975	26.2
137.04031	1.6
138.03026	1.1
140.00821	1.5
141.00717	1.0
142.03506	35.4
142.04622	1.9
143.01842	1.1
143.03792	1.5
147.18890	1.0
149.01276	1.3
149.51302	1.0
151.51617	3.0
156.97571	1.2
160.04565	13.8
160.52159	1.7
161.02972	21.4
173.40099	1.0
177.84505	0.9
178.05626	1.7
179.04031	37.3
179.05602	2.3
179.99110	2.1
186.35709	1.1
197.99258	3.1
202.08778	1.5
203.05261	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.164
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03952	1.4
55.05515	3.4
56.96564	2.3
57.07071	0.9
59.93118	0.8
63.77457	0.6
67.05508	9.4
69.07068	4.9
71.55584	1.1
79.05497	10.5
81.07062	60.9
91.05479	13.3
93.07051	19.6
95.04987	1.0
95.08614	26.4
105.07037	27.2
107.08604	26.4
109.10147	6.4
115.05484	1.4
116.06152	0.9
117.07033	12.5
118.96738	2.2
119.08591	43.4
121.10146	9.2
124.01357	0.8
129.07030	2.6
130.07820	4.3
131.08580	24.2
133.10152	7.3
143.08568	2.6
144.09323	2.7
145.10132	66.9
146.10953	3.5
157.10162	4.2
158.10910	1.6
159.11696	63.4
171.11758	1.0
173.13275	11.6
177.98140	2.0
186.14044	1.9
196.13338	0.7
199.14870	1.2
201.05408	0.7
201.16393	100.0
202.16785	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	201.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.05513	31.0
55.36971	1.5
56.96566	9.2
57.03426	4.4
57.07058	3.8
59.05007	1.8
67.05507	21.8
69.03419	4.8
69.07063	10.9
71.05000	10.6
71.08631	1.4
71.55474	2.0
73.02908	1.3
74.97646	1.2
79.05516	6.4
81.07060	68.2
83.04975	1.1
83.08619	19.3
83.79332	1.1
85.02892	3.3
85.06543	7.2
86.90997	1.2
91.05482	16.7
93.07040	13.1
95.04984	3.3
95.08613	22.1
97.02911	2.3
97.06537	1.3
97.10150	1.5
98.97587	21.6
102.04704	1.5
105.07035	33.6
107.08611	13.4
109.06506	3.6
109.10164	2.1
110.01289	4.1
110.97552	1.7
113.05997	3.7
115.05435	4.4
116.06222	1.5
116.98618	5.4
117.07040	9.4
119.01839	3.9
119.08578	24.7
121.06548	3.2
121.10159	16.7
123.11713	100.0
128.02286	8.0
128.06204	4.1
129.06989	7.9
130.04138	1.4
130.07782	4.7
131.08572	35.4
133.10136	32.0
134.99632	1.6
137.02806	1.9
137.13255	4.9
141.07011	3.9
141.09161	1.8
142.07806	2.7
143.08571	26.4
144.05687	1.4
144.09352	6.0
145.06482	6.5
145.10136	40.6
147.11700	30.2
153.07097	1.5
155.08566	4.9
156.09340	3.0
157.10118	6.3
158.03647	4.2
158.07283	3.3
158.10916	31.5
158.99663	4.2
159.08035	12.2
159.11696	21.9
165.12775	13.9
168.09322	2.7
171.08061	10.2
171.11702	4.5
172.08826	10.2
173.06076	5.7
173.09647	14.1
173.13274	92.6
175.02745	2.2
177.00728	3.6
183.11694	6.5
183.13809	3.8
185.04861	3.2
185.09663	2.1
186.03127	1.3
186.06750	1.9
186.10403	36.2
201.05475	11.3
201.09308	6.3
201.12758	77.1
201.16376	16.2
203.05945	3.4
212.07858	1.2
217.03833	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1487
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
53.03926	2.0
55.05518	46.7
56.96572	13.5
57.03436	4.6
57.07070	4.4
59.05004	5.5
61.29491	1.8
61.50032	1.9
67.05511	29.9
67.58852	2.2
69.03426	5.5
69.07078	18.7
71.05000	10.0
71.09258	5.4
73.02934	2.2
79.05480	7.1
81.07064	84.5
83.04990	2.8
83.08629	29.0
85.02950	1.9
85.06547	9.6
89.00745	2.1
90.01585	2.3
91.05482	15.1
93.07059	11.3
95.08620	23.1
97.10174	3.8
98.17785	1.8
98.97599	40.0
105.07040	28.4
107.08624	9.8
109.06569	3.2
109.10160	5.2
110.01263	4.7
110.97603	2.4
113.05968	2.1
115.05452	5.6
116.98650	14.1
117.07066	4.0
118.96772	2.3
119.01817	7.5
119.08581	7.5
121.10143	16.5
123.08112	2.4
123.11717	100.0
128.02318	18.2
129.07042	2.6
130.04192	3.9
131.08582	7.4
133.10161	3.3
134.99712	3.2
137.02826	5.4
137.09644	3.5
137.13234	10.1
141.07018	2.4
145.06502	5.5
145.10112	14.5
147.11702	48.2
158.03653	7.6
158.10934	3.6
158.99707	10.5
159.11682	11.6
165.12755	25.7
173.05972	11.6
173.13301	5.1
177.00722	8.1
183.13805	4.1
185.04845	3.8
186.03203	3.9
186.10422	2.6
189.04407	3.6
201.05515	23.8
201.09093	5.0
201.12811	6.2
201.16405	11.7
203.05940	4.8
217.03857	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	201.1276
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
51.02359	1.1
53.03941	1.5
55.05514	18.3
55.27490	1.0
56.96571	8.3
57.03430	2.9
57.07061	3.0
59.04990	1.6
61.42067	1.0
67.05505	13.3
69.03425	4.5
69.07072	7.9
69.64849	3.3
69.65255	3.1
71.04979	4.3
71.08621	1.0
74.84643	1.0
79.05499	7.6
81.03396	1.3
81.06581	2.2
81.07059	42.6
83.04955	1.2
83.08619	10.7
85.02866	1.8
85.06530	4.0
91.05488	17.2
93.07058	9.4
95.04953	1.6
95.08601	12.6
97.02850	1.7
97.06559	1.3
97.10159	1.1
98.97578	13.7
105.07038	23.6
107.08609	7.1
109.06518	2.3
109.10198	1.2
110.01292	1.9
113.06004	2.7
115.05442	3.5
116.06257	2.2
116.98608	4.8
117.07006	9.8
119.01803	2.7
119.07793	1.8
119.08590	21.5
121.06490	2.7
121.10156	9.0
123.08092	2.0
123.11710	50.1
128.02322	10.2
128.06183	5.3
128.98592	1.4
129.07016	10.1
130.04178	2.2
130.07759	5.2
131.08580	38.0
133.10136	42.2
137.02814	1.9
137.13252	3.9
139.11162	1.6
141.06960	3.5
142.07765	4.5
143.08556	30.4
144.09372	8.2
145.06480	6.9
145.10126	42.2
147.11694	19.1
153.07039	1.6
155.06010	1.2
155.08557	4.1
156.09305	1.7
157.06532	2.4
157.10110	6.2
158.03650	4.1
158.07280	3.3
158.10921	41.5
158.99654	3.5
159.08063	12.3
159.11702	22.2
161.09628	1.4
165.12750	9.2
168.09389	1.9
171.08034	10.5
171.11697	3.9
171.84937	1.0
172.08832	12.2
173.05988	7.6
173.09671	13.5
173.13266	100.0
174.13632	1.5
177.00699	2.5
183.11646	5.3
183.13835	1.5
185.04816	2.4
185.09677	2.6
186.03114	3.0
186.10403	40.9
199.80977	1.2
201.05441	13.4
201.09087	4.5
201.12753	79.0
201.16388	14.8
203.05919	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
55.48552	0.7
56.96565	2.8
57.03437	1.4
64.15584	0.6
64.28745	0.6
64.39781	0.7
69.03438	1.3
70.06597	2.3
71.05013	0.9
71.54510	1.1
76.83918	0.6
81.03417	1.1
82.35265	0.7
82.99808	3.8
84.04500	1.9
84.08155	2.1
85.02963	1.1
87.04455	1.0
97.02898	0.7
98.97592	1.9
101.00891	42.5
102.00987	1.4
103.02403	0.8
106.78667	0.8
109.08472	0.9
110.97602	0.7
113.00887	5.2
115.02454	1.9
119.01930	100.0
120.01969	3.3
121.01661	1.0
123.06377	2.0
124.02569	0.8
131.01920	25.7
132.02098	1.5
133.03479	21.9
134.03598	0.9
137.02962	26.9
137.07895	2.3
137.10812	1.0
140.07095	0.9
141.07430	3.0
142.03529	1.9
145.03465	3.5
149.02992	7.9
151.04536	9.3
155.01886	0.6
155.03708	0.9
155.08990	1.4
157.03479	0.8
158.97223	1.4
159.01469	0.8
161.02953	1.2
163.04619	0.9
173.02969	10.8
175.04506	3.7
177.02440	1.6
178.02646	0.9
183.01450	1.2
183.08464	2.3
183.11314	0.8
191.04018	9.1
193.05508	0.9
201.02461	39.1
201.09523	3.7
201.12338	5.0
206.96800	0.8
219.03522	41.6
219.10536	1.2
220.03734	1.3
224.04076	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94473	0.5
52.40577	0.4
54.67271	0.5
55.01880	1.1
56.96574	2.5
57.03442	0.6
57.75126	0.5
67.77599	0.4
70.06586	1.6
70.47853	0.5
70.48194	1.4
73.02909	0.6
82.99834	5.2
84.08131	1.5
84.96039	0.7
98.97588	5.1
99.97920	0.6
101.00889	45.6
102.00983	0.8
108.93472	0.4
110.97530	0.6
113.00874	9.5
115.02431	0.8
116.98624	1.7
119.01929	100.0
120.02055	1.7
127.02438	0.5
128.98668	0.5
131.01918	40.3
132.02048	2.2
133.01657	0.5
133.03481	1.8
134.99690	0.6
137.02971	19.8
140.63908	0.5
142.03516	1.9
143.02013	0.5
145.03491	3.6
149.02963	10.6
149.04143	0.6
155.01909	1.1
155.03677	1.6
158.97232	1.2
158.99690	1.7
159.01457	0.9
163.04526	1.3
170.99397	0.5
173.01436	0.9
173.02972	14.9
173.04517	1.0
177.00804	1.3
177.02473	1.6
178.02621	1.3
182.99849	0.6
183.01424	2.3
183.03142	0.7
191.04024	13.2
201.02469	51.1
201.04153	3.1
201.16133	0.4
202.02597	0.7
217.05951	0.5
219.03520	49.8
220.03705	0.9
224.04012	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.9854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65267	0.2
56.96580	0.2
69.03424	0.2
69.05421	0.2
71.53983	0.2
74.09710	0.2
80.20863	0.2
82.12179	0.2
82.99843	0.3
84.08160	0.2
89.62719	0.2
92.59469	0.2
95.37150	0.2
98.97597	2.0
101.00883	2.1
102.94318	0.4
110.08440	0.1
116.98601	0.9
119.01937	3.0
119.49554	0.2
120.95345	1.8
121.01680	0.2
134.99664	0.3
136.93153	0.2
137.02966	0.5
138.96420	18.3
139.96494	0.5
143.01970	0.2
148.80766	0.2
148.96011	0.4
154.94226	0.2
156.97490	100.0
157.97557	2.4
158.97923	0.4
161.02956	0.2
170.99088	0.3
174.98550	73.8
175.98645	1.6
176.05850	0.3
176.98898	0.5
179.99094	1.3
180.97499	1.1
180.99127	0.5
189.00085	0.4
198.00162	0.7
198.18590	1.3
198.98550	18.0
199.18996	0.4
199.98683	0.3
216.96245	1.5
216.99608	35.3
217.99777	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0919
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
53.03934	1.4
55.05505	2.0
56.96566	6.5
57.03432	1.6
57.07063	1.2
61.57508	1.1
65.03891	1.0
65.58213	1.1
67.05509	7.0
68.05041	1.5
69.03438	6.9
69.07077	7.4
69.17856	2.9
69.18269	9.7
70.02987	1.5
70.06589	5.1
70.47073	1.0
71.68943	1.0
71.95255	1.8
72.08123	1.2
73.02913	1.1
74.09724	1.6
79.05512	5.7
80.05000	4.1
81.07066	5.7
82.06579	3.3
83.04997	1.5
83.46249	1.0
84.04491	1.6
84.08130	3.3
85.02899	2.5
86.06052	3.3
86.09705	3.6
87.04459	2.8
90.17438	1.0
91.05495	11.6
93.05777	3.9
93.07053	7.3
94.06577	29.3
95.04973	6.4
96.04478	1.6
96.08121	3.1
97.06528	5.6
98.06064	9.4
98.97595	40.8
108.04440	1.8
108.07430	1.9
108.08123	27.7
109.06538	5.4
110.06042	18.1
110.07330	1.0
111.06875	1.4
111.08073	1.7
112.03999	5.5
112.07626	7.0
116.98628	28.0
117.05767	1.2
118.06514	2.8
118.96668	1.1
119.01849	1.3
120.08102	3.2
121.06511	2.0
122.06035	81.1
123.04420	3.2
123.06802	2.6
124.07585	3.1
126.09159	2.8
134.06020	1.6
134.99666	11.3
136.07587	85.3
137.05954	3.3
138.05487	1.1
138.09128	4.8
139.07529	4.6
140.07076	100.0
146.99617	1.1
147.38210	1.2
154.08641	64.0
155.07051	1.6
156.10219	1.9
158.01363	1.7
158.99608	1.4
164.07076	11.9
165.05498	2.1
169.05096	1.1
177.00693	2.1
177.97952	1.2
182.08139	69.9
182.11700	7.1
200.09189	76.2
200.12807	11.8
200.19135	1.7
205.23137	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.4
56.96572	60.5
57.03440	0.7
57.07078	1.2
60.08177	1.5
67.05493	0.8
69.03443	1.8
69.07074	1.7
69.79839	2.8
70.06599	1.7
73.02940	1.1
79.05502	0.7
81.03423	1.3
81.07066	0.6
83.08630	2.3
85.02916	1.4
95.06104	6.5
97.02901	1.2
98.20937	1.3
98.21475	0.7
98.97604	2.0
99.78000	0.6
100.02492	0.7
101.00897	1.1
103.00645	0.7
107.04893	0.6
108.04501	2.9
109.02895	0.8
110.97585	35.3
116.98638	0.6
119.01891	2.8
121.10141	0.7
123.04469	0.6
124.07525	0.7
127.02351	0.7
128.98621	29.2
129.03998	1.2
131.01913	1.8
133.03485	1.1
138.97070	1.0
140.98625	0.7
146.99667	10.6
152.07071	1.3
154.13457	1.9
156.98123	24.8
162.01888	0.7
163.02684	0.6
165.00774	1.0
170.06619	0.7
174.99170	100.0
180.02956	2.3
182.08105	0.8
189.00702	0.6
193.00232	73.2
194.00632	0.8
198.00751	1.7
198.11221	0.8
198.18555	35.2
211.01250	3.2
216.01842	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1538
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03942	1.6
55.01871	4.5
55.05513	27.2
57.03427	4.0
57.07072	2.0
59.04988	0.8
65.03922	1.6
67.05508	42.3
69.03413	1.1
69.07071	22.4
69.39830	4.4
69.40249	1.7
69.79681	0.8
70.95876	0.9
71.01357	2.2
71.04995	16.0
72.93792	0.8
73.06569	0.9
78.34438	0.8
79.05495	21.6
81.07060	80.9
82.07382	1.0
83.04975	4.8
83.08621	19.9
85.02889	1.1
85.06543	18.9
87.04473	1.1
87.90465	0.7
91.04894	1.0
91.05485	24.2
93.07049	25.4
95.04962	2.1
95.08611	100.0
96.08891	0.8
97.06536	35.9
97.10163	6.7
99.08087	5.8
101.05979	1.6
101.64459	0.7
105.07033	23.8
107.08599	14.2
109.06519	4.3
109.10166	8.1
111.08086	6.4
111.98495	0.9
113.09624	1.4
117.07026	1.5
119.08585	36.5
121.10159	9.5
123.08073	6.4
123.11717	2.0
132.95851	3.0
133.10133	25.9
135.11702	17.2
135.12712	1.2
137.09631	3.4
137.13251	15.6
138.49748	0.7
141.09079	0.9
149.13333	1.4
150.96913	2.1
151.11209	1.0
155.10675	1.6
155.97473	1.6
159.11693	1.0
161.13260	51.1
173.98509	1.7
179.10689	2.2
179.14323	24.0
197.09912	0.9
197.11743	2.5
197.13553	1.1
197.15361	14.0
198.18596	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	197.1175
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03934	1.4
55.01870	1.0
55.05513	3.3
56.96550	0.9
57.07075	2.0
59.04990	2.9
60.64319	0.9
62.63927	0.9
67.05518	6.3
69.03419	1.3
69.07057	3.0
70.95862	3.0
71.01364	0.9
71.05016	1.3
71.08630	1.1
72.93787	1.6
77.03911	1.0
78.55383	0.8
79.05506	6.4
81.03464	0.9
81.07063	7.1
83.04971	1.5
88.96926	0.8
91.05489	16.0
93.06473	1.5
93.07052	22.9
95.04974	7.1
95.08627	4.6
96.36549	0.7
97.06526	1.1
98.21528	2.0
98.97572	1.1
105.04554	0.8
105.07046	32.5
107.08611	66.2
108.08910	1.4
109.06547	5.3
109.10178	6.9
111.98494	3.4
113.05985	1.5
115.05406	1.2
117.07028	1.2
119.04964	2.5
119.06081	0.9
119.08591	10.2
121.06541	7.2
121.10146	2.5
123.04440	3.7
123.08127	1.0
123.11719	3.6
125.06042	1.1
128.06183	1.0
131.08591	2.1
132.95874	7.2
133.10149	70.6
135.08057	2.1
135.11711	56.8
136.12012	1.2
137.05980	3.2
137.09621	5.5
143.07240	0.8
143.08569	1.8
146.07278	1.8
150.96938	4.8
151.03931	2.3
151.07599	1.1
151.11214	7.3
155.97462	4.6
161.09637	36.2
173.98529	3.9
179.10693	100.0
180.11038	1.4
182.10863	0.9
197.09933	2.5
197.11748	70.4
197.13168	2.6
198.12180	1.1
198.18596	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	197.1538
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03937	3.5
55.01863	4.3
55.05516	31.5
57.03433	4.6
57.03705	1.0
57.07069	3.1
59.05009	1.9
65.03947	1.3
67.05510	39.0
67.05876	2.1
69.03419	3.3
69.06726	1.9
69.07076	25.5
70.67745	1.2
70.95871	9.3
71.04992	16.4
71.56287	1.7
72.93813	5.3
73.06564	1.4
79.05067	2.0
79.05502	26.2
79.86304	1.0
81.07064	83.7
83.04987	6.2
83.08625	22.0
85.02889	1.4
85.06082	1.4
85.06555	19.6
87.04459	1.8
88.96917	1.4
91.05489	27.8
93.07049	32.0
95.04976	5.6
95.08615	100.0
96.09012	1.6
97.06541	35.9
97.10160	7.2
98.97585	3.4
99.08101	6.8
101.06027	1.4
105.07040	29.9
107.08599	27.8
109.06532	8.6
109.10157	8.6
111.08073	9.7
111.98486	10.0
113.06006	4.9
113.09613	1.3
117.07048	2.5
119.08591	37.4
121.10159	11.4
123.04423	2.6
123.08057	8.8
123.11760	2.6
125.09591	1.3
129.99539	2.3
131.08565	1.9
132.95847	18.9
133.10146	39.3
135.11708	26.7
137.05977	2.9
137.09633	5.2
137.13255	15.0
141.06953	1.4
150.96915	17.2
151.03943	2.8
151.07555	4.4
151.11151	2.7
154.07845	1.5
155.97440	10.4
161.05998	3.2
161.09673	8.4
161.13275	54.4
161.14624	2.6
169.10301	1.3
173.98531	12.9
179.07153	7.8
179.08456	1.9
179.08951	1.6
179.10674	17.2
179.14308	23.5
182.07358	1.6
184.21667	1.2
185.04063	1.3
197.09613	3.4
197.11737	13.2
197.13348	2.5
197.15385	14.4
198.18573	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	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03948	1.3
55.01872	1.4
55.05504	1.9
56.96560	0.8
57.07083	1.1
59.05001	1.3
65.03941	1.1
67.05509	3.3
68.99783	0.8
69.03427	1.7
69.07076	1.2
70.95866	4.6
71.05016	0.7
71.55708	1.0
72.93793	2.4
79.05493	5.6
81.03429	0.7
81.07072	4.7
83.04984	1.5
85.02927	1.1
91.05486	19.6
93.07045	11.0
95.04945	2.8
95.08620	3.4
97.06526	1.2
98.97599	2.1
105.03394	0.7
105.06305	0.8
105.07035	23.4
107.08600	100.0
108.08929	1.3
109.06500	3.4
109.10167	7.6
111.98512	4.2
116.98616	1.1
117.07010	1.6
118.07796	0.9
119.04978	1.5
119.06060	1.8
119.08586	9.4
121.06487	2.7
121.10143	5.7
123.08068	1.1
123.11684	2.9
125.06059	0.8
128.06253	0.7
129.99493	1.9
131.00211	0.8
131.08566	2.1
132.95851	9.2
133.10138	58.5
134.10497	0.9
135.11708	11.7
137.05956	3.2
137.09619	4.4
139.07605	1.3
143.08578	1.0
146.07268	1.3
149.09641	2.8
150.96886	8.8
151.03952	1.7
151.07603	1.1
151.11192	6.6
155.97432	4.8
158.99619	0.7
161.09622	18.0
167.10716	7.7
173.98506	6.4
179.10689	31.4
182.10747	0.6
197.09924	1.4
197.11736	43.2
198.12096	0.9
198.18553	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	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03946	4.5
55.01868	2.5
55.05514	4.3
56.96579	1.0
57.03445	1.0
57.07072	1.0
59.05000	2.8
65.03941	1.6
67.05515	7.3
69.03426	5.5
69.07053	3.4
70.50788	2.7
70.95859	7.0
71.04967	1.3
72.93800	4.4
73.02913	1.7
77.03914	1.1
79.05491	9.8
81.03434	1.2
81.07064	10.3
82.83928	0.8
83.04979	1.3
83.08638	1.1
85.02903	1.2
85.06553	1.3
90.94837	0.9
91.05483	20.2
93.07048	25.1
94.07915	1.0
95.04968	11.4
95.08604	4.3
97.02877	1.3
97.06535	2.4
98.97580	2.0
98.98220	0.8
105.03394	40.4
105.04480	1.7
105.07033	32.9
107.04922	1.5
107.08598	76.0
109.06512	8.5
109.10176	6.9
111.08117	1.7
111.98490	5.7
116.78124	0.8
116.98650	1.0
117.07030	2.2
119.04966	2.0
119.06100	1.8
119.08574	10.7
121.06516	5.6
121.10160	1.2
123.04418	5.1
123.08067	2.9
123.11710	3.3
124.78711	0.9
125.05978	2.0
129.99513	3.1
131.08546	2.4
132.95850	14.4
133.10136	76.6
134.10455	1.3
135.08070	2.1
135.11700	56.3
137.05957	5.2
137.09619	6.0
139.07536	0.9
146.07253	1.0
146.57973	0.8
150.96881	13.0
151.03874	1.5
151.11182	7.0
153.09129	10.0
155.97437	8.3
161.09628	37.0
169.10400	1.0
173.98506	11.1
179.07268	2.2
179.10678	100.0
180.11064	2.3
197.11739	66.3
198.18575	9.5
217.96812	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
52.91895	1.0
53.03941	1.5
55.01872	2.3
55.05500	4.7
56.96586	1.7
57.03433	1.7
57.07082	1.4
59.04994	1.2
61.02917	1.4
65.03941	1.1
67.05522	7.0
68.99787	1.5
69.03428	3.8
69.07058	3.1
69.88969	1.2
70.95871	9.7
71.04974	2.4
71.55666	1.5
71.90401	1.0
72.93788	5.6
73.02920	2.8
79.05498	11.0
79.90181	1.1
81.03411	1.2
81.07059	12.2
83.04987	2.5
83.08631	1.0
84.04505	2.0
91.05484	19.6
92.99072	1.0
93.07056	21.1
95.04987	5.9
95.08614	6.1
97.06544	2.2
97.10184	1.1
98.97595	2.3
101.90563	1.0
102.67670	1.0
105.03447	1.2
105.07045	31.2
107.08605	100.0
109.06530	6.7
109.10170	6.9
111.08105	2.0
111.98488	7.6
115.05478	1.0
116.98649	1.5
117.07028	2.6
119.04935	2.2
119.08595	20.1
119.09396	0.7
121.06513	3.7
121.10155	20.1
123.08049	3.8
123.11688	3.5
125.09614	3.2
128.06250	1.5
129.99472	3.5
131.08574	4.0
132.95863	18.6
133.06561	1.1
133.10141	63.6
134.10497	1.5
135.08012	1.8
135.11673	7.8
137.05972	3.8
137.09644	5.7
139.07541	4.4
141.06990	1.6
143.08583	3.8
149.09615	11.0
150.96907	17.7
151.03891	2.7
151.07547	4.6
151.11198	18.7
152.05353	1.2
153.09119	2.3
153.14670	1.6
155.08423	1.5
155.97450	10.3
158.99687	1.4
161.09642	22.0
167.06967	1.6
167.08522	1.5
167.10699	25.3
173.98511	13.4
179.07103	1.6
179.10690	44.4
182.10899	1.5
196.99977	1.2
197.11749	52.9
197.13274	2.8
198.11972	1.4
198.18539	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	197.0811
Annotation	3,5-dimethylorsellinic acid
Peak:m/z	Relative Intensity
50.55917	0.5
53.03947	3.8
55.01901	0.9
55.05544	1.0
56.96600	2.1
57.03476	1.1
57.07096	0.8
61.02936	0.8
65.03979	0.7
67.05505	6.6
68.99799	7.0
69.03472	0.8
69.07108	2.4
69.25066	2.1
69.25493	3.1
70.95878	5.1
71.01385	1.4
71.05002	5.4
72.93816	2.4
79.05486	3.1
81.03417	0.7
81.07050	2.8
83.04987	0.6
83.08642	0.9
83.84268	0.5
84.43689	0.5
85.02945	0.6
85.06550	6.9
85.06997	0.5
88.96941	0.6
91.05487	2.6
93.07076	2.8
95.04979	14.8
95.05548	0.9
95.08666	1.8
97.02905	0.6
97.06584	1.0
98.97638	1.8
103.05466	0.6
105.07043	6.3
107.05019	0.5
107.08595	3.8
109.06525	21.0
109.10210	1.4
111.04495	2.1
111.08087	12.4
111.98494	4.8
113.06017	52.4
113.96452	0.7
114.94848	0.5
115.05457	2.9
116.98630	1.3
119.04954	0.6
119.08612	1.1
121.06531	0.7
123.04440	38.7
123.08086	2.7
125.06055	0.5
127.03917	3.3
129.99532	2.2
132.95844	8.8
133.05582	0.8
133.06496	5.6
133.10120	3.0
135.04413	0.5
135.11676	1.4
135.86591	0.6
137.05992	4.9
137.09616	0.9
139.03954	2.3
150.96906	10.0
151.03983	1.3
151.07553	54.7
155.07051	6.8
155.10677	1.0
155.97426	6.8
161.05991	23.7
161.09592	1.4
164.04727	4.0
173.98543	7.1
179.07050	100.0
180.07463	1.0
197.08099	23.5
197.09506	1.0
197.11778	2.4
198.18546	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03942	3.8
55.01863	9.2
55.05516	27.8
56.96542	2.2
57.03441	3.1
57.07062	7.0
57.10712	2.1
59.05000	2.6
61.35014	2.1
67.05518	19.5
69.03436	19.6
69.04548	4.2
69.07075	60.6
70.06596	2.3
71.04975	8.6
79.01842	2.9
79.05492	18.6
79.85778	1.9
81.03412	3.4
81.07067	52.4
83.04967	7.1
83.06096	3.1
83.08624	22.9
84.08157	2.7
85.06564	11.0
89.03912	7.8
91.05481	10.4
93.07055	37.2
95.04982	3.7
95.08615	68.9
97.06529	12.7
97.10159	14.6
99.08102	80.0
105.07018	7.9
107.04965	9.4
107.08604	57.4
109.04843	2.1
109.10177	15.4
110.07159	11.5
111.08088	31.4
111.11731	4.4
113.09634	6.1
117.03389	15.2
119.01263	3.4
119.08547	3.6
121.02872	3.4
121.06487	4.4
121.10151	76.0
123.04375	3.1
123.11699	7.1
125.09646	46.9
130.96295	4.4
131.08578	5.3
135.04391	3.6
135.08057	4.0
135.11714	25.5
137.13275	21.4
138.06641	60.3
139.11165	9.3
145.02844	24.8
147.20134	2.1
149.05983	7.2
149.09645	2.9
149.13251	6.6
150.09164	3.2
151.14870	2.9
153.97745	2.3
159.11766	3.0
163.00304	2.5
163.03931	7.5
163.07498	2.5
167.07059	4.1
177.05469	27.7
177.12866	4.2
177.16406	82.0
181.01360	7.5
185.08521	2.2
195.02905	13.1
195.06732	3.5
195.08777	100.0
195.13783	3.3
195.15765	3.8
195.17447	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	195.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01654	0.8
55.01875	7.7
55.05515	28.4
55.59069	0.8
56.05035	1.3
56.96559	3.6
57.03427	3.0
57.07081	7.7
59.04991	1.8
59.52650	0.8
62.79473	0.8
65.03941	2.2
67.05174	1.6
67.05510	22.3
68.96336	1.8
69.03432	20.0
69.04550	3.9
69.04864	0.8
69.07074	57.4
69.24639	5.9
69.25043	1.5
71.01334	0.9
71.04997	8.6
71.08631	2.4
79.05063	1.5
79.05499	21.2
80.05020	0.8
81.03403	3.5
81.07064	63.6
83.04990	5.8
83.06100	2.8
83.08625	21.7
84.04512	7.1
84.08133	1.7
85.02907	1.6
85.06548	9.3
85.10176	1.0
89.03415	1.1
89.03925	15.3
89.06039	1.1
91.05481	14.4
93.07053	40.1
95.05000	4.6
95.08614	70.5
97.02917	1.2
97.06548	6.7
97.10171	13.8
98.06052	1.1
98.97604	1.7
99.08100	77.0
100.08469	1.3
103.05442	1.4
105.04504	0.9
105.07029	8.7
107.04974	10.1
107.08604	52.5
108.08148	0.8
109.02891	1.2
109.03978	1.1
109.06540	2.2
109.10172	18.3
109.98936	1.6
110.06006	0.9
110.07176	13.8
111.04415	1.6
111.08092	26.5
111.11736	6.3
113.06036	0.8
113.09666	5.0
116.98611	0.9
117.03391	27.0
117.07016	2.4
119.08617	2.5
121.02875	3.0
121.06494	3.5
121.10152	71.7
122.09679	2.1
123.04316	1.3
123.08086	1.6
123.11710	6.7
125.06044	1.5
125.09639	47.4
125.13206	1.0
128.98586	1.7
130.96320	2.9
131.08566	3.9
133.06497	1.4
133.10178	4.2
134.03642	2.8
135.04401	4.9
135.08124	4.3
135.11702	30.8
137.13269	27.3
138.06636	69.9
138.08994	2.1
139.07596	1.0
139.11201	6.7
140.10728	1.0
145.02858	49.4
146.03256	1.1
148.97354	3.4
149.01248	1.6
149.04890	0.5
149.05994	13.9
149.09613	2.4
149.13271	10.8
149.97200	1.2
150.03107	0.9
150.09142	7.3
151.03944	1.2
151.09795	1.1
151.14796	1.5
153.05443	2.0
153.09062	1.1
153.12744	1.5
153.97928	1.2
159.11702	5.4
162.03125	0.8
162.11101	0.7
163.03934	7.8
163.07538	1.3
165.07054	1.2
167.07043	1.8
167.08934	0.8
171.98969	2.6
177.05484	59.2
177.09000	1.9
177.12950	5.6
177.16400	79.3
178.16800	1.0
186.05453	1.2
195.02921	6.2
195.06677	3.0
195.08786	100.0
195.13676	4.6
195.15648	1.9
195.15923	1.1
195.17447	26.9
196.09569	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1746
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03939	2.7
55.01865	2.8
55.05515	29.1
56.96559	2.9
57.07064	8.7
58.14909	1.6
67.05515	19.0
69.03436	34.5
69.04560	2.1
69.07075	46.1
70.06179	3.4
70.06596	6.4
71.04980	8.0
74.14899	1.6
76.15418	1.8
79.05502	25.5
81.03422	5.2
81.07066	71.0
83.04977	5.8
83.08627	20.1
85.06554	8.3
89.03907	2.7
91.05492	8.3
93.07060	42.7
95.04948	4.0
95.08617	82.2
97.06555	5.1
97.10173	5.8
98.97606	3.9
99.08102	41.7
103.05477	1.6
105.07044	6.2
107.04956	6.7
107.08604	70.2
109.06558	1.8
109.10167	20.1
110.07154	7.8
111.08117	8.9
111.08778	1.9
111.11722	5.2
113.09681	3.2
117.03380	8.0
119.08570	4.4
121.02866	5.5
121.06499	3.7
121.10155	89.3
123.11700	6.3
125.05994	1.9
125.09650	88.9
133.10153	3.1
135.08070	2.4
135.11702	34.9
137.09653	2.2
137.13269	31.9
138.06633	40.8
139.03896	2.7
139.07477	2.0
139.11169	4.6
145.02841	14.1
149.05936	5.8
149.13266	7.9
151.11206	2.3
153.09088	4.0
159.11771	2.2
159.52145	1.8
159.66130	1.7
163.03905	2.8
166.95758	1.6
177.05524	17.5
177.12907	2.7
177.16403	100.0
180.09479	1.6
195.06364	2.9
195.06639	3.1
195.08788	51.1
195.11705	4.1
195.13794	4.2
195.15837	2.3
195.17485	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	195.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.7
55.01866	2.8
55.05276	1.6
55.05518	19.5
56.96535	1.4
57.03426	3.8
57.07082	20.4
59.04987	2.0
65.03931	1.9
67.05517	13.4
68.70915	1.2
69.03426	2.6
69.04533	1.9
69.06731	1.6
69.07076	20.7
70.87896	1.0
70.88222	1.7
71.04987	4.5
71.08623	2.6
79.05505	13.5
80.60746	0.9
81.07070	22.4
83.04973	3.6
83.06097	1.3
83.08640	12.2
84.04508	1.3
85.06560	7.2
85.10172	1.9
89.03915	5.4
91.05489	10.7
93.06485	1.9
93.07053	34.3
95.04991	2.1
95.08617	39.1
97.06525	4.2
97.10164	5.1
99.08092	3.3
101.09628	1.1
103.05446	1.5
105.07047	14.1
107.04942	4.1
107.08606	52.9
109.06506	1.9
109.10167	40.6
110.07183	5.3
111.08071	7.8
111.11745	2.5
117.03389	8.2
119.06052	1.4
119.08569	6.3
121.06531	1.8
121.10157	100.0
123.08049	2.2
123.11729	15.8
125.09637	8.1
130.96370	1.8
133.07573	1.2
133.10150	1.8
135.04417	1.1
135.08093	1.3
135.10689	2.0
135.11703	35.0
137.13271	7.9
138.06644	28.7
139.11205	6.4
145.02853	14.1
148.97360	1.0
149.06049	4.7
149.09625	1.2
149.13261	3.5
150.09146	1.5
151.14815	5.3
153.12749	1.8
155.02477	1.0
163.03902	2.6
165.16405	15.7
177.05484	18.0
177.09123	0.9
177.16409	28.2
195.02924	1.4
195.08783	40.7
195.15823	1.8
195.17467	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	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
50.18818	1.4
52.62156	1.4
54.68952	1.5
55.01881	9.8
55.05512	33.9
57.07089	10.2
59.04991	2.2
67.05511	15.7
69.03432	14.1
69.07076	61.9
70.99338	3.7
71.04999	9.5
71.08611	1.6
79.05505	15.2
81.06582	2.9
81.07063	59.8
83.04971	4.1
83.08628	23.1
83.27399	1.4
85.06538	13.0
85.10157	1.3
91.05489	4.9
91.84046	1.6
93.07045	31.7
93.07629	1.8
95.04972	1.9
95.08612	81.7
97.06536	3.4
97.10175	15.7
99.08100	81.4
105.07031	7.3
107.07863	3.4
107.08603	66.5
109.10165	26.7
110.07162	2.2
111.08093	34.0
111.11731	6.6
113.09664	6.7
117.03367	1.9
121.02904	2.9
121.10154	92.6
123.11726	9.9
125.08753	3.3
125.09635	44.8
125.10551	2.3
127.11197	2.3
130.09900	1.5
133.10161	2.0
135.11708	28.3
137.13269	35.0
138.06657	11.0
139.11185	6.1
145.02820	2.7
149.13303	8.1
151.14687	1.6
153.12799	1.8
177.05490	4.7
177.12798	2.9
177.16397	100.0
184.44350	1.9
195.08795	20.4
195.13875	2.0
195.17458	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03935	2.2
55.01877	3.7
55.05269	1.3
55.05515	17.7
56.05030	1.7
56.96571	6.6
57.03432	3.3
57.07076	6.0
59.04985	1.6
63.51599	0.7
65.03936	1.5
67.05512	11.3
68.96333	1.2
69.03436	4.5
69.04534	2.6
69.07072	25.2
69.61307	0.7
70.06586	0.9
70.94263	1.6
71.05005	4.2
71.55402	0.8
71.95270	0.9
73.02913	0.9
79.05500	15.9
80.05021	1.0
81.03403	2.4
81.07065	25.5
83.04976	2.9
83.06097	3.3
83.08625	9.4
84.04516	3.6
84.08144	1.7
85.02883	1.7
85.06561	7.4
89.03431	0.8
89.03924	11.0
89.05994	0.8
91.05484	10.8
93.07050	28.7
94.07414	1.1
95.04983	4.3
95.08615	37.3
97.02869	2.2
97.06538	3.9
97.10166	7.0
98.97593	6.5
99.04485	0.8
99.07491	1.2
99.08102	15.9
99.28479	0.7
103.05473	1.9
105.03426	0.8
105.07026	6.5
106.04209	0.9
107.04957	8.7
107.08602	34.3
109.02868	1.7
109.04021	1.1
109.06497	2.8
109.10166	11.0
109.98934	1.7
110.07182	14.6
111.04446	2.6
111.08097	7.8
111.11708	3.1
112.07622	0.9
113.09641	3.0
116.98630	3.6
117.02619	1.2
117.03393	17.3
117.07043	3.9
119.06049	0.9
119.08570	2.4
121.02864	1.7
121.06521	7.8
121.10152	34.1
122.09665	2.1
123.04375	2.7
123.08062	0.8
123.11721	6.6
125.06002	2.1
125.09637	8.1
128.02299	1.7
128.98589	1.3
130.96294	2.4
131.00151	1.0
131.08571	5.0
133.10143	4.2
134.03625	2.6
134.04677	0.7
134.99677	1.2
135.04439	4.3
135.08072	11.5
135.10718	1.3
135.11690	13.0
136.12053	1.3
137.05997	1.0
137.09607	1.8
137.12419	0.9
137.13255	7.3
138.06636	67.0
139.03870	0.8
139.11157	2.8
141.05426	0.8
145.02855	31.1
148.97398	4.1
149.02380	2.1
149.06007	11.6
149.09625	9.5
149.13249	3.2
150.09148	3.9
151.14828	1.9
152.14307	1.2
153.05515	3.8
153.09113	1.2
153.97926	2.1
158.99739	1.7
159.11618	1.3
163.03983	5.9
167.03526	0.7
167.07072	2.4
167.08456	1.1
168.10150	1.1
171.98935	3.2
177.00665	1.8
177.05481	38.9
177.09048	3.9
177.12810	2.1
177.16414	31.0
178.05005	1.0
178.16783	1.1
183.05853	0.9
195.02953	5.5
195.06673	4.6
195.08768	100.0
195.10056	6.0
195.13751	1.9
195.15709	2.6
195.17438	11.6
196.04543	0.8
196.09309	2.3
196.16943	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.01939	0.8
53.03930	1.4
55.01857	2.6
55.05515	20.7
56.05024	1.3
56.96551	2.4
57.03420	3.4
57.07079	21.2
58.57267	0.8
59.04988	3.5
60.95862	0.8
65.03934	1.6
67.05184	0.9
67.05510	15.4
69.03413	3.7
69.04534	3.0
69.06732	1.6
69.07075	24.6
69.34030	8.6
71.04993	4.7
71.08608	3.1
73.44328	0.9
79.05492	15.8
81.03414	1.3
81.06583	1.5
81.07064	29.4
83.04977	4.0
83.06087	2.6
83.08624	12.3
84.04506	6.1
84.08176	1.0
85.02890	3.6
85.06558	7.2
85.10166	2.5
89.03927	4.5
91.05479	12.2
93.06483	1.9
93.07050	34.0
95.04959	2.9
95.08614	37.7
97.06526	5.5
97.10172	5.4
98.06056	1.0
98.20719	2.2
98.97604	1.3
99.08107	2.5
103.05478	2.2
105.06387	1.3
105.07037	14.0
107.04966	9.0
107.08601	52.7
109.04057	1.1
109.06499	1.6
109.10164	42.1
110.06617	0.8
110.07194	9.7
111.05539	1.3
111.08102	5.8
111.11694	1.9
115.05453	1.0
117.03379	10.2
117.06971	1.2
119.08598	9.1
121.02866	1.6
121.06537	1.5
121.10152	100.0
122.09629	2.9
123.08056	3.3
123.11715	17.0
125.02246	0.9
125.09647	7.0
130.96335	2.0
131.08560	1.9
133.10088	3.0
135.04395	2.1
135.08041	3.3
135.10689	2.1
135.11705	37.6
137.09584	1.1
137.13278	7.5
138.06633	51.0
138.09050	1.7
139.03857	1.4
139.11220	8.7
145.02856	19.0
145.34888	0.8
148.97301	1.2
149.05986	4.9
149.09669	2.2
149.13245	3.8
150.09132	5.8
151.14848	6.1
153.12747	2.1
153.43814	0.9
153.97926	1.1
159.11745	1.6
163.03928	3.0
163.07506	3.1
165.16405	18.6
167.07191	4.4
171.03011	0.9
171.99005	1.2
177.05492	19.8
177.09044	1.8
177.12762	2.5
177.16409	24.7
195.02936	8.8
195.06808	3.3
195.08769	71.0
195.13734	2.0
195.15750	1.4
195.17445	17.6
196.09659	1.1
196.17032	0.9
196.21190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
50.14944	1.6
51.05715	1.5
53.03947	2.4
55.01878	6.3
55.05515	22.1
57.03421	1.7
57.07077	6.3
59.05005	2.0
60.14064	1.3
67.05517	11.5
69.03439	16.8
69.07076	49.2
70.99663	3.8
71.05002	6.3
74.72540	1.8
79.05499	12.1
81.07062	45.8
83.04989	3.3
83.08627	20.0
85.06545	8.3
89.03910	3.2
91.05504	5.0
93.07046	28.4
95.08614	69.0
97.06520	2.1
97.10183	11.5
97.41004	1.4
99.08102	66.5
105.07055	4.4
107.08605	46.2
107.09309	3.2
109.10169	16.1
110.07115	2.0
111.08079	17.3
111.11765	3.8
113.09634	8.1
113.84483	1.6
117.03384	6.9
121.10154	82.7
123.11725	5.7
125.09641	45.2
135.11716	19.3
137.13268	24.8
138.06618	8.3
139.11200	3.6
145.02898	9.0
149.05945	2.3
149.13268	6.5
162.36194	1.4
177.05493	13.4
177.16399	100.0
191.70148	1.8
195.08774	13.1
195.17470	21.7
207.71553	1.6
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	Unknow
Peak:m/z	Relative Intensity
50.28168	1.2
53.03930	2.1
55.01857	4.2
55.05515	18.5
56.05024	2.5
56.96557	3.0
57.03436	1.8
57.07076	4.3
58.00160	1.6
65.03951	2.5
67.05505	10.7
68.96307	2.5
69.03424	10.2
69.04556	4.6
69.06743	1.8
69.07079	29.9
70.83150	1.6
71.04988	7.1
71.55325	2.6
77.03970	1.4
79.05496	12.9
81.03423	2.3
81.06594	2.0
81.07066	35.3
82.16261	1.3
83.04964	2.2
83.06097	3.3
83.08622	14.0
84.04504	4.8
84.08173	2.1
85.06542	4.8
89.03935	14.4
89.06087	1.6
91.05476	6.6
93.07059	22.9
95.04973	3.3
95.08616	45.2
97.06528	3.0
97.10176	6.9
98.97594	4.6
99.08103	35.8
103.05454	1.9
105.07018	4.7
106.04148	2.4
107.04942	6.5
107.08602	35.3
109.06528	4.0
109.10175	13.1
109.98952	2.1
110.07175	15.2
111.04429	1.9
111.08119	11.1
111.11715	2.6
113.09625	4.9
117.03397	19.1
121.06554	3.6
121.10152	54.1
122.09674	1.7
123.04353	2.2
123.11675	3.0
125.06005	2.2
125.09641	30.0
127.99990	1.6
128.02324	2.0
130.96339	3.5
131.08585	2.3
134.03598	2.5
135.04396	4.6
135.08067	4.2
135.11722	16.0
137.05995	2.1
137.13272	15.7
138.06641	73.9
138.09050	2.7
139.11169	3.6
145.02855	39.0
148.97395	4.6
149.05995	8.5
149.09618	3.2
149.13277	6.6
150.09152	3.7
153.05434	3.1
153.97942	3.6
160.90390	1.7
163.03900	4.7
167.07089	2.4
171.98878	2.2
177.05481	48.0
177.09135	2.8
177.12793	1.9
177.16405	60.0
195.01181	3.7
195.02898	11.7
195.06747	3.3
195.08783	100.0
195.15768	3.1
195.17415	14.7
196.09146	2.9
196.16930	2.6
202.25250	1.7
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
50.60135	0.8
52.17301	0.7
53.03943	2.9
55.01865	3.6
55.05271	0.9
55.05517	11.2
55.12097	0.8
56.05025	1.0
56.96566	11.7
57.03430	2.6
57.07065	2.1
65.03927	3.1
67.05508	37.1
69.03409	2.8
69.04543	2.8
69.07070	11.0
70.06618	0.8
70.94258	0.8
71.01334	1.9
71.04998	5.1
71.15365	1.6
71.95261	1.6
77.00920	1.0
79.05499	27.3
80.05023	1.3
81.03413	6.3
81.07059	64.2
82.06580	0.8
83.04995	8.2
83.06104	3.5
83.08626	6.6
84.04505	4.9
85.02915	0.9
85.06540	3.4
87.04438	1.5
89.03911	3.7
89.06009	2.1
91.05482	17.7
93.07049	40.1
94.04173	0.8
95.04984	5.7
95.08609	29.9
97.06544	7.7
97.10147	1.2
105.04525	1.6
105.07043	8.4
107.04979	4.3
107.08597	15.4
109.02840	1.0
109.06528	6.4
109.10154	3.4
109.98968	1.1
110.07163	11.7
111.08092	4.7
112.99036	1.0
117.03355	7.4
117.07030	8.2
119.08586	2.7
121.02878	1.2
121.06503	3.4
121.10146	7.2
122.07081	0.9
122.09673	1.7
123.04349	1.7
123.08060	2.3
125.00777	1.2
125.05968	1.0
125.09692	1.4
130.96278	1.5
131.08574	7.5
131.96114	1.3
133.10149	10.4
134.01225	2.2
134.03616	1.2
135.04402	2.1
135.08064	4.7
135.11696	23.3
137.09590	1.9
138.06630	64.3
138.09109	2.5
145.01753	1.2
145.02849	13.6
146.07661	1.1
148.97395	2.0
149.02362	1.0
149.06010	5.0
149.09618	2.1
149.13258	12.7
149.97226	1.1
150.09131	5.0
151.11174	1.0
153.05443	1.1
153.09087	1.0
153.97852	1.2
159.11703	11.6
163.02354	1.7
163.03862	3.9
165.07011	1.9
167.14235	0.9
168.10132	1.8
171.98853	1.1
172.02760	6.4
172.53069	1.1
177.05481	16.5
177.09081	1.4
177.12781	9.7
180.09290	1.4
181.03259	4.5
192.54192	1.1
195.02885	3.6
195.08780	100.0
195.11713	4.1
195.13800	11.6
195.15730	2.5
196.09296	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01871	2.1
55.05515	4.2
56.05040	1.6
56.96571	11.8
57.03437	4.6
57.07060	2.1
65.03951	1.7
67.05513	7.5
68.96344	1.2
69.03447	2.1
69.04559	4.8
69.07070	10.6
69.17085	9.0
70.06591	1.1
71.04984	2.1
71.95258	1.5
79.05128	0.9
79.05505	8.7
81.03416	1.0
81.07065	11.7
83.04990	1.3
83.06103	3.1
84.04510	7.6
85.06548	2.6
89.03905	2.1
91.05490	5.4
93.07049	12.2
95.04975	2.6
95.08603	7.8
97.06551	4.5
98.06057	1.0
99.08104	1.1
103.05469	0.9
105.07047	4.8
107.04982	4.2
107.08620	8.7
108.03376	0.9
109.04008	1.8
109.06498	2.4
109.10159	2.2
109.98943	1.1
110.07175	14.6
111.08062	2.4
113.06012	1.2
117.03342	5.8
117.06992	1.2
119.03600	0.9
119.08593	3.0
121.06527	2.0
121.10149	5.3
122.09693	4.1
123.04394	1.3
123.08082	10.9
125.05978	1.0
126.04330	1.4
130.96313	2.1
131.08563	2.4
131.96123	1.6
133.06490	1.7
133.10138	2.2
134.04878	2.0
135.04388	2.3
135.08066	3.0
135.11696	7.2
136.55392	0.8
137.09628	1.2
138.06639	72.6
138.09111	2.6
143.00203	1.0
143.05432	6.1
145.02856	10.3
148.97375	1.4
149.01231	1.5
149.05992	4.0
149.09615	1.7
149.13278	2.8
149.97191	1.2
150.09151	7.3
152.05951	5.6
153.05473	1.2
153.97937	1.3
159.11736	2.9
161.01250	1.0
161.06477	1.8
163.03923	4.6
165.06985	1.7
167.07068	1.5
167.08540	1.2
167.12692	0.9
168.10310	1.1
171.98972	2.6
172.15314	0.8
172.57423	1.0
175.02815	1.3
177.05481	13.0
177.09023	1.1
177.12794	5.2
180.09328	1.7
189.04410	1.9
195.02937	4.9
195.08794	100.0
195.11726	4.0
195.13783	4.8
195.15666	2.2
195.17441	1.5
196.09326	2.7
196.17079	1.0
203.05905	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03939	4.1
55.01868	2.1
55.05514	10.4
56.96558	1.5
57.07079	15.8
61.02930	5.7
63.11699	0.9
65.03919	1.6
66.59048	1.0
67.05511	12.7
68.96348	1.1
68.99797	9.4
69.03420	4.8
69.07069	16.5
69.70238	5.6
71.04987	3.6
71.08609	1.5
71.64817	0.9
77.03925	2.0
79.05499	100.0
81.03420	2.8
81.07059	23.7
83.04987	28.3
83.06091	1.4
83.08611	5.2
85.06538	2.9
85.10171	2.4
89.03893	1.4
91.05487	17.7
93.07049	93.3
94.99834	1.2
95.04956	4.3
95.08614	21.9
97.06531	11.2
97.10190	1.6
97.57230	1.0
98.21507	1.2
99.08097	5.5
105.04562	1.4
105.07034	6.4
107.04970	13.2
107.08607	46.8
109.06506	3.2
109.10168	5.8
110.07153	4.3
111.08052	2.3
111.11718	1.8
112.59748	1.0
117.03391	5.0
117.07019	2.0
119.01718	1.0
119.08572	3.1
121.02890	1.3
121.06516	8.5
121.10164	17.5
123.08047	1.7
125.02367	2.3
125.05181	1.6
125.06007	18.0
125.09636	21.1
131.08559	2.5
133.10150	9.7
134.03648	1.6
135.08072	4.7
135.11700	91.4
136.12042	1.4
137.09619	3.0
137.13237	4.3
138.06631	26.0
138.09045	1.3
139.03908	2.8
139.07561	9.7
145.02846	9.9
149.05980	2.2
149.09615	2.2
149.13264	14.2
153.09123	17.1
153.12727	6.6
159.11697	4.2
163.03880	2.1
165.06973	1.2
165.32515	1.1
177.05490	9.5
177.12723	9.8
177.16383	16.0
195.02901	1.4
195.06680	1.7
195.08760	37.0
195.10207	3.3
195.13724	9.5
195.15610	1.4
195.17470	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	195.1383
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02377	0.9
53.03956	4.1
55.01871	1.7
55.05513	9.8
55.11961	0.7
57.03432	1.8
57.06823	1.2
57.07082	15.3
59.19301	0.8
61.02934	4.8
65.03941	1.9
67.05505	13.1
67.61908	0.8
69.03434	13.7
69.07076	16.4
71.04992	3.6
71.08637	1.4
71.55426	1.1
77.03974	0.9
79.05499	100.0
81.03416	1.5
81.07065	24.2
83.04988	27.3
83.06094	2.0
83.08591	5.0
84.04506	1.0
85.06539	3.5
89.03928	3.9
91.05484	14.8
93.07050	95.4
94.07361	1.1
95.04994	5.7
95.08616	23.8
97.06528	13.1
97.10164	2.2
99.08106	13.8
102.54736	1.0
105.04504	2.1
105.07033	5.0
107.04964	12.8
107.08601	45.2
107.24239	0.8
108.08948	1.4
109.06500	2.3
109.10156	5.3
110.07175	4.6
111.08098	3.3
111.11713	2.7
117.03407	5.9
117.07013	0.8
119.08601	2.2
121.02860	1.7
121.06515	5.9
121.10149	18.5
121.11025	1.0
123.11731	2.7
125.06008	17.5
125.09640	34.5
125.10562	1.9
131.08565	2.4
133.10124	10.7
134.03625	1.6
135.04387	1.8
135.08096	4.4
135.11699	83.6
136.12021	1.1
137.13310	4.3
138.06642	25.2
139.07584	11.4
145.02873	10.4
149.05942	2.5
149.09695	1.0
149.13269	12.9
151.11201	1.1
153.05508	1.1
153.09114	3.0
153.12711	8.0
159.11708	2.9
163.03934	2.3
165.06979	0.9
167.08501	0.9
171.99081	1.0
177.05495	12.4
177.09096	1.4
177.12794	7.3
177.16420	14.4
180.09407	1.7
195.02911	3.3
195.06696	1.7
195.08788	36.7
195.11752	1.8
195.13800	7.3
195.15649	1.9
195.17426	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	195.1383
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03953	2.2
54.04666	0.8
54.42381	0.9
55.01867	3.0
55.05513	6.3
56.05027	1.7
56.96567	11.1
57.03431	2.2
65.03944	2.2
65.80408	0.8
67.05511	21.5
67.39391	0.8
68.96333	1.1
69.03421	1.5
69.04569	4.8
69.07076	7.5
69.19720	6.7
69.20126	2.7
71.04994	3.1
71.95274	1.8
79.05505	18.4
80.04993	1.3
81.03425	5.3
81.07064	43.7
83.04965	4.2
83.06103	3.9
83.08617	4.0
84.04488	2.7
85.02923	1.9
85.06540	2.8
89.03944	4.6
89.06030	1.2
91.05489	12.0
93.07056	28.9
95.04982	4.3
95.08608	16.7
97.06502	4.9
99.08096	1.4
100.02489	1.7
103.05511	1.3
105.06428	1.3
105.07034	6.4
107.04965	4.0
107.08592	12.5
109.04018	1.0
109.06539	6.3
109.10155	3.0
109.98936	0.9
110.07185	12.9
111.04456	1.1
111.05625	1.2
111.08102	3.5
117.03391	11.8
117.07022	3.7
118.03558	1.2
119.08604	2.4
121.06508	3.6
121.10155	4.8
122.09659	1.8
123.04330	1.6
123.08092	1.5
123.11712	0.9
130.96333	1.5
131.00211	1.2
131.08598	5.1
133.10152	7.8
134.03629	2.2
135.04411	2.4
135.08017	2.7
135.11697	13.3
136.57990	2.6
137.09558	1.0
138.06641	66.3
143.32751	1.1
145.02881	15.9
148.97369	2.3
149.01308	0.9
149.06001	6.0
149.09648	1.2
149.13277	8.7
149.97223	1.5
150.09158	3.2
151.11197	1.3
153.09088	1.9
159.11720	6.0
163.02332	1.0
163.03992	4.9
163.07607	1.1
165.07042	2.6
171.98981	1.5
172.02798	5.5
172.53123	1.1
172.94284	1.5
177.05481	21.8
177.12805	7.2
177.16396	1.5
181.03281	5.0
189.64647	1.0
195.02986	4.9
195.08797	100.0
195.11713	4.7
195.13815	7.4
195.15742	3.1
196.09546	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26913	0.6
53.03940	1.4
55.01862	2.3
55.05515	5.0
56.05040	1.3
56.96575	3.9
57.03434	1.3
57.07075	1.2
62.32289	0.6
65.03950	1.3
67.05510	18.3
68.96326	1.2
69.03430	1.7
69.04565	3.6
69.07076	5.3
70.06590	1.2
71.04983	2.6
71.55135	0.9
77.50970	0.7
79.05499	10.2
81.03420	1.3
81.07063	21.7
82.06553	0.9
83.04971	2.9
83.06113	3.5
83.08601	2.5
84.04506	7.5
84.08173	1.2
85.06554	1.9
87.04520	0.7
89.03915	5.2
89.06022	1.0
91.05495	6.6
93.07060	18.8
94.06571	1.0
95.04977	3.9
95.08054	1.1
95.08612	12.1
97.06529	5.2
97.10145	0.9
98.06063	0.8
98.97619	0.8
99.08128	0.8
100.02499	1.0
105.07037	3.7
107.04970	6.2
107.08611	11.1
109.03999	1.5
109.06501	2.0
109.10144	2.7
109.98934	0.8
110.07169	13.9
111.04436	1.3
111.05585	0.6
111.08091	2.4
113.06026	1.2
117.03389	7.9
117.07003	2.9
119.08601	2.2
121.02892	1.3
121.06526	4.1
121.10165	6.7
122.09665	3.1
123.04308	1.2
125.09625	1.5
127.99979	0.7
130.96297	2.7
131.00159	0.7
131.08603	4.2
133.10139	4.9
134.03632	1.3
135.04485	3.5
135.08049	3.2
135.11710	13.8
137.05968	0.9
137.09631	2.1
138.06636	70.1
138.09100	2.0
139.03850	1.0
139.06833	0.9
145.02875	14.1
148.97360	2.9
149.05971	6.2
149.09595	3.2
149.13290	6.4
149.97182	1.0
150.09148	7.8
151.11186	1.6
153.09116	1.1
153.97833	1.8
159.11700	6.2
163.03978	4.1
165.07060	1.0
167.07191	1.1
167.08627	2.9
168.10263	1.3
171.98930	1.9
177.05498	17.5
177.07062	1.2
177.09038	1.3
177.12766	5.3
177.16345	2.0
180.07845	0.9
180.09354	0.9
182.03278	0.9
186.85728	0.8
193.53961	0.8
195.02954	4.3
195.06671	4.1
195.08784	100.0
195.13785	8.1
195.15741	2.5
195.17430	1.5
196.09389	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
56.05045	1.0
56.96574	2.7
63.02371	0.7
65.03950	1.1
68.96381	0.7
69.04572	1.6
69.07076	0.8
71.04194	0.8
71.04506	0.8
77.13738	0.6
78.04723	1.1
79.05504	2.4
81.03439	1.4
81.07092	0.8
81.93294	0.5
83.06123	1.8
84.08144	0.6
85.02930	0.5
85.38414	0.5
89.03924	25.0
89.06053	0.6
91.05486	3.8
93.03439	1.5
93.07062	2.6
95.04976	1.1
95.08626	1.2
98.97602	1.2
101.00568	0.5
103.05479	1.5
105.07028	0.6
106.04189	2.0
107.04967	2.4
107.08606	1.2
109.06498	0.8
109.98975	0.7
110.07166	6.1
111.04439	0.9
111.45734	0.5
117.03391	50.1
118.03731	0.9
121.02834	0.6
121.06512	2.1
121.10127	1.2
123.04359	1.0
124.05195	0.6
125.06046	1.0
130.96376	1.0
131.00172	0.7
134.03653	6.7
135.04417	5.9
135.08089	1.1
137.06027	0.8
138.05527	0.8
138.06636	29.0
145.02856	86.5
146.03294	0.5
148.97482	0.6
149.05997	20.9
149.09662	1.4
150.05515	0.8
153.05495	1.7
162.03152	2.5
163.03926	10.7
173.04845	0.6
177.05482	100.0
177.16426	0.8
178.05898	0.8
186.05515	0.6
191.05911	1.1
195.02957	2.0
195.06761	1.6
195.08777	40.5
195.15721	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.8
56.96563	1.2
57.03450	0.9
63.02379	0.8
65.03944	0.8
66.91911	0.6
67.05508	0.7
68.96342	0.8
68.99845	0.6
69.03439	0.8
69.04552	1.0
70.94265	0.9
78.04749	1.3
79.05512	2.8
81.03438	1.1
81.07026	0.7
83.06133	1.0
89.03929	28.0
91.05482	4.3
93.03471	0.7
93.07063	1.6
95.04981	1.0
98.20734	1.6
98.97608	1.3
103.05483	1.7
105.07041	0.7
106.04180	2.5
107.04979	2.8
107.08627	1.6
109.99004	1.2
110.07169	4.2
117.03399	52.0
119.04977	0.8
119.08698	0.7
121.02869	1.1
121.06529	2.0
121.10139	0.8
125.05999	1.1
130.96338	1.2
131.08607	0.9
134.03651	8.3
135.04430	6.1
138.06642	22.1
139.07556	0.6
145.02864	89.3
146.03334	0.8
147.04387	1.0
148.97418	1.3
149.06001	21.1
149.09666	1.3
150.03716	0.6
153.05484	0.7
153.97891	0.7
154.94176	0.6
157.12903	0.6
162.03136	2.1
163.03928	9.4
171.98955	1.4
177.05490	100.0
195.02959	1.3
195.06602	2.8
195.08786	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	195.0655
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03944	1.0
55.01878	0.5
55.05505	0.7
56.62849	0.5
56.96566	2.2
57.03422	0.4
57.07084	0.7
63.02374	0.9
65.03946	0.9
67.05508	0.8
68.99783	0.5
69.04568	1.0
69.07056	1.2
73.82371	0.4
74.04257	0.4
77.03937	0.8
77.56018	0.4
78.04716	1.5
79.05515	4.5
81.03408	0.6
81.07061	6.0
83.06110	0.6
85.02912	0.6
89.03923	31.2
91.05489	5.9
93.03406	0.9
93.07060	7.1
94.07300	0.4
95.04970	1.0
95.08600	0.5
97.06496	0.5
98.97597	13.3
103.05483	1.9
105.04530	0.5
105.07023	1.8
106.04191	2.4
107.04982	4.0
107.08596	4.3
109.03979	0.5
109.06511	0.8
109.98920	0.7
110.07158	3.5
110.97552	0.7
111.04454	1.2
116.98636	4.7
117.03388	58.6
117.07050	0.6
119.04921	0.9
121.02811	0.6
121.06529	1.7
121.10139	0.9
125.06000	1.1
128.98633	0.5
130.96295	0.9
131.08568	0.5
133.06534	0.7
134.03651	8.9
134.99710	0.9
135.04434	6.3
135.08061	0.7
135.11711	1.0
138.06633	16.6
139.07611	0.5
145.02853	97.4
147.04414	1.0
148.97464	1.0
149.05991	24.4
149.09622	0.9
153.01921	0.6
153.05484	1.3
158.99660	5.4
162.03148	2.0
163.03920	8.8
163.07571	0.6
167.07045	0.8
171.98987	0.6
177.00746	3.4
177.05482	100.0
179.08858	0.4
180.41431	0.5
186.05550	1.9
186.07254	0.6
195.02914	1.7
195.06602	1.8
195.08789	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	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
52.37323	0.6
53.03948	0.7
55.05524	1.1
56.96558	1.6
63.02378	0.7
65.03931	0.6
67.05502	0.9
69.04562	0.7
77.58440	0.5
78.04692	0.8
78.78848	0.5
79.05493	1.1
79.35409	0.6
81.03415	1.0
83.06085	0.7
83.08614	0.7
84.08132	0.6
85.19395	0.5
89.03920	25.9
91.05471	2.5
93.03375	0.6
93.07044	1.2
95.04947	1.4
98.21539	1.8
98.97598	1.5
103.05451	1.1
105.07025	0.7
106.04189	2.6
107.04974	1.6
107.08582	1.3
109.06466	0.6
109.98969	0.7
110.07175	4.3
111.04454	0.8
117.03387	52.4
119.04929	0.5
121.06494	1.7
125.05961	0.7
130.96297	0.8
131.08572	0.6
134.03624	9.3
135.04440	6.4
135.08000	1.3
135.11725	0.9
138.06633	19.7
139.04004	0.9
143.72810	0.6
145.02850	90.2
148.97397	1.0
149.05986	22.1
149.09669	0.7
153.05519	1.0
153.97899	0.7
159.70714	0.6
162.03137	1.7
163.03908	9.7
167.09113	0.6
177.05473	100.0
186.05534	1.0
195.02940	1.3
195.06609	1.5
195.08784	25.4
195.10249	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0655
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03940	1.4
55.01878	1.1
55.05519	1.2
56.05055	0.5
56.96576	1.2
57.03434	1.1
57.07079	0.5
62.01591	0.7
63.02396	0.8
64.79345	0.5
65.03955	1.1
66.73635	0.5
67.01894	0.9
67.05509	1.7
68.77793	0.5
68.96347	0.7
68.99785	0.9
69.03440	1.9
69.04563	1.7
69.07099	0.8
69.47271	3.3
70.06590	0.7
71.04983	1.3
72.04127	0.5
78.04707	1.3
79.05486	3.6
81.03442	1.5
81.07063	2.5
83.01431	0.6
83.04977	0.8
83.06113	1.8
83.08651	0.5
84.08164	0.8
85.02917	2.2
89.03926	27.8
91.05493	6.4
93.03417	1.5
93.07054	6.4
95.04977	2.0
95.08637	1.6
97.02922	0.6
97.06557	1.1
98.20755	0.8
98.97595	4.9
103.05495	2.7
105.03405	1.1
105.07040	2.2
106.04179	2.9
107.04966	4.3
107.08597	3.5
109.02875	1.2
109.04059	0.8
109.06525	0.6
109.99026	0.6
110.07181	6.3
111.04471	1.7
111.05556	1.1
111.08115	0.7
116.98634	1.6
117.03391	54.2
119.04985	0.9
121.06515	5.2
121.10179	1.7
123.04375	0.9
125.06014	2.3
129.04448	0.6
130.96274	1.1
131.08598	1.1
133.10124	0.8
134.03635	7.9
135.04431	7.7
135.08051	2.2
135.11702	1.7
138.06639	32.1
139.03954	0.7
139.05040	1.0
145.02856	94.5
146.03171	0.8
148.97362	1.9
149.05995	28.1
149.09628	1.4
153.01848	21.1
153.05440	2.5
153.09056	0.9
153.97957	0.9
158.99637	2.1
159.11772	0.8
162.03142	2.3
163.03929	12.0
167.03522	0.6
167.07071	1.1
171.02936	1.6
171.98981	1.0
177.05484	100.0
177.12741	0.9
178.05862	0.8
186.05524	1.0
195.03043	4.4
195.06641	4.0
195.08778	47.5
195.15715	1.3
210.22484	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.03419	0.8
53.03921	1.0
55.01863	1.3
55.05495	1.8
56.05005	0.9
56.96553	2.6
57.03436	1.4
65.03925	2.8
67.05488	1.6
68.99772	2.5
69.03420	3.4
69.04543	2.2
69.65036	4.1
70.06574	0.9
71.04980	1.2
75.71295	0.9
78.04706	1.4
79.05509	4.4
81.03409	2.3
81.07047	2.4
83.06093	2.7
83.08593	0.9
84.08117	1.2
85.02904	1.8
89.03920	26.0
91.05492	7.3
93.03383	2.3
93.07040	3.5
95.04961	2.4
95.08598	1.3
97.02876	3.0
98.21423	1.1
98.97588	1.1
99.04437	1.2
103.05492	1.9
105.03380	1.2
105.07024	2.1
106.04156	2.9
107.04957	4.2
107.08576	3.2
109.06526	1.4
110.07177	7.3
111.04427	3.2
115.05492	0.8
116.98590	0.9
117.03384	47.5
119.01833	1.3
119.04891	1.2
119.08566	1.1
121.02882	3.1
121.06481	3.1
121.10114	1.1
123.04357	1.3
125.05989	3.5
128.02357	0.8
129.27257	0.9
131.08536	1.3
134.03638	8.6
135.04399	7.7
135.08067	3.0
135.11674	1.7
138.06631	39.9
139.03897	2.3
145.02847	85.7
146.03065	0.8
147.04413	1.1
148.97386	1.3
149.02325	1.7
149.05991	23.1
149.09662	1.7
150.09152	1.1
151.03894	1.1
153.05467	7.0
153.97914	1.6
157.90286	0.8
160.06531	2.2
161.02924	1.3
162.03105	2.3
163.03932	11.3
167.03351	0.9
171.98962	1.1
175.06232	2.2
175.07846	0.9
177.05478	100.0
195.02934	11.1
195.06653	2.7
195.08765	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	194.9906
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98255	4.0
69.89970	1.7
82.49339	0.6
98.20793	0.9
100.02461	1.0
101.00883	2.5
111.77292	0.6
118.03576	0.9
119.00831	8.0
119.01908	5.6
122.96954	2.5
127.19813	0.7
134.96921	1.1
135.00307	0.9
136.94054	0.6
137.02951	1.0
138.06618	1.6
138.84383	0.6
138.96405	2.0
140.97990	5.8
149.01952	0.7
152.97972	5.3
156.97507	6.9
157.03539	1.2
158.98988	1.2
164.90918	1.0
170.99052	75.6
171.99120	3.7
174.98552	3.7
175.04599	0.7
177.01312	2.3
177.49974	0.8
185.02942	0.7
189.00107	100.0
190.00169	3.8
194.00618	2.4
194.91980	10.6
194.96681	0.8
195.00784	1.8
195.02458	0.9
195.08762	2.7
198.98590	1.1
212.01746	1.2
213.00104	10.0
213.01973	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03948	0.8
55.01908	0.6
56.82639	0.7
56.96574	1.9
63.02372	0.8
65.03954	0.7
67.05499	0.9
68.96329	0.5
69.04559	1.1
71.11955	1.0
78.04738	1.0
79.05495	1.6
81.03434	1.1
81.07065	1.0
83.06097	1.1
84.08172	0.9
89.03925	27.4
91.05487	2.8
93.03425	0.8
93.07035	1.7
95.05006	1.1
95.08575	0.7
103.05463	1.9
106.04184	2.5
107.04948	1.9
109.06557	0.9
110.07153	3.9
114.85923	0.6
117.03389	54.9
121.06548	1.6
121.10162	1.0
124.05241	0.7
125.05995	0.7
134.03648	8.0
135.04449	5.0
135.08028	0.7
138.06636	22.9
145.02855	90.2
148.97372	0.8
149.05992	24.3
149.09633	0.9
150.06433	0.7
153.05553	1.5
162.03114	1.9
163.03918	11.5
177.05484	100.0
178.05844	0.8
186.05508	0.9
194.54906	0.7
195.02925	1.5
195.06767	1.4
195.08783	31.1
214.27742	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03939	1.7
55.05514	10.3
57.07072	2.1
59.05004	1.0
65.03950	1.5
67.05505	11.2
69.03424	1.7
69.07073	28.6
71.05000	15.3
79.05495	7.1
81.03407	2.9
81.07064	25.0
83.04969	1.4
83.08620	3.5
85.06549	9.1
91.05488	7.5
93.07050	23.4
95.04976	33.9
95.08055	1.8
95.08610	20.8
97.06512	3.6
97.10184	9.8
99.08096	4.3
105.06373	1.5
105.07031	13.3
107.08601	32.2
109.06525	100.0
109.10164	15.7
111.08083	5.1
111.11746	4.9
117.07029	1.9
119.08590	27.4
121.10159	7.9
123.08076	8.1
123.11707	20.7
133.02869	2.3
133.06500	1.7
133.10139	23.7
135.10692	2.1
135.11697	33.6
137.05920	1.6
137.09644	12.3
147.11685	4.1
149.13287	9.0
151.11172	4.6
175.13310	2.0
175.14828	38.5
176.15138	1.1
178.02606	1.7
179.84656	1.0
193.05002	7.2
193.08575	2.3
193.12279	2.7
193.15891	61.9
194.08192	1.1
194.15852	0.8
212.77466	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79102	0.9
51.02385	0.8
53.03957	4.4
55.01873	4.6
55.05519	11.5
56.96568	1.2
57.03432	3.4
57.07080	2.3
58.99575	1.4
58.99886	0.9
59.04979	1.6
62.35079	0.9
65.03927	3.0
65.18558	0.9
67.05173	1.6
67.05509	25.9
69.03430	2.9
69.07073	9.3
69.48217	5.0
69.48631	2.3
71.05000	8.4
76.02236	3.6
79.05503	21.2
80.08696	0.8
81.03423	35.6
81.07064	32.6
83.01317	1.1
83.04992	7.2
83.08618	7.8
85.06546	4.3
89.44956	0.9
90.05569	1.4
91.05489	36.7
93.07056	41.5
95.04977	22.5
95.08049	1.6
95.08613	20.2
97.02851	1.5
97.06517	3.1
97.10195	1.0
99.08092	6.3
103.05490	3.0
105.04499	1.1
105.07036	47.9
107.04953	5.1
107.08603	52.2
109.06535	10.6
109.10169	19.8
110.97578	0.9
111.04498	1.1
111.08057	2.9
115.05486	5.6
117.07021	2.4
118.04137	1.1
119.04919	1.9
119.08594	42.9
121.06516	2.3
121.10143	9.6
123.04431	1.9
123.08073	13.0
123.11704	8.2
127.07582	2.4
129.07018	6.9
131.08594	7.6
133.02853	2.8
133.06506	16.0
133.10139	77.1
134.10454	1.1
135.08067	3.7
135.11705	100.0
137.06003	2.4
137.09631	24.1
142.07785	1.1
145.10133	1.8
147.08060	3.3
147.11696	14.8
149.02419	1.7
149.09615	5.4
149.13277	2.5
151.03899	10.6
151.07530	1.6
151.11182	4.0
157.10115	6.4
158.02707	3.0
161.06009	12.3
165.05511	1.0
165.12775	1.4
166.08557	0.9
167.52193	0.9
171.12964	1.0
175.11252	10.6
175.14838	53.1
176.07088	1.0
178.02669	3.0
178.07765	1.3
189.14752	0.9
193.04961	11.9
193.06638	1.5
193.06915	1.6
193.08569	9.7
193.10262	1.6
193.12234	13.6
193.15898	57.0
194.08090	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
55.01865	3.1
55.05511	23.9
56.96552	4.2
57.07061	8.7
59.04984	7.3
65.03932	4.9
67.05511	36.8
69.03416	7.7
69.06792	2.3
69.07080	32.2
70.79565	7.0
71.04990	10.4
79.05489	20.4
81.03407	7.3
81.06646	4.1
81.07063	42.4
83.04977	7.9
83.08611	11.7
85.06544	22.6
91.05479	31.6
93.07048	45.3
95.04957	11.1
95.08611	61.7
97.06522	4.1
99.08100	79.6
103.05450	3.7
105.07034	54.0
107.04977	5.0
107.08607	59.0
109.06522	21.2
109.10162	68.9
111.08064	3.2
115.05453	5.9
119.08591	79.6
121.10149	20.4
122.09612	3.0
123.08086	23.4
123.11735	14.7
131.08601	3.9
133.02863	4.3
133.06543	12.1
133.09117	4.7
133.10135	96.9
135.11699	79.2
137.09636	27.8
147.11696	11.0
149.02319	5.8
149.13255	4.4
151.11189	11.9
157.10207	3.7
161.06018	13.0
161.53395	6.0
165.12717	3.2
170.95589	2.6
175.07552	4.3
175.14847	68.2
175.16292	6.0
193.04984	16.6
193.08592	9.7
193.12172	6.0
193.15895	100.0
193.17662	6.2
194.29182	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03949	2.1
55.01866	1.5
55.05515	17.8
56.96554	1.4
57.03444	1.9
57.07066	5.0
59.04995	2.7
62.31273	1.2
64.13836	1.3
67.05505	27.6
69.03425	4.3
69.06733	1.2
69.07072	15.6
71.05000	7.2
71.28332	1.4
71.28658	2.1
78.86216	1.3
79.05501	13.5
81.03426	3.2
81.06589	1.9
81.07060	35.5
83.04974	8.6
83.08610	6.4
85.06554	7.1
85.10159	1.3
91.05479	16.0
93.06477	2.4
93.07052	43.3
95.04991	7.2
95.08065	2.5
95.08618	36.7
95.09232	1.8
97.06517	2.9
97.10162	1.2
98.56738	1.3
98.97606	1.7
99.08088	11.4
102.88619	1.3
103.05450	1.5
105.07041	32.6
107.04950	2.0
107.07869	2.7
107.08601	53.6
109.06531	13.2
109.10160	66.3
111.08060	5.7
115.05418	1.8
117.07013	2.5
119.08584	40.6
119.85443	1.4
121.06518	1.3
121.10142	25.0
123.08071	21.0
123.11719	17.3
131.04877	1.3
131.08557	3.5
133.02847	5.2
133.06482	4.9
133.09125	3.1
133.10135	61.0
135.04510	1.5
135.11700	100.0
137.06006	2.3
137.09619	32.0
137.13240	4.1
138.10382	5.0
139.11200	2.3
145.10152	1.8
147.11694	9.3
148.07503	1.4
149.13223	6.5
151.11212	10.5
151.14790	7.9
158.02699	2.3
158.05846	1.4
161.05965	4.4
165.05476	2.0
165.12712	1.4
165.16330	6.3
166.06854	1.4
175.11320	1.6
175.14830	42.7
178.02621	4.0
193.05003	20.4
193.08554	4.7
193.12216	2.9
193.15895	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	193.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78104	1.1
53.03933	3.4
55.01869	2.6
55.05514	17.1
55.42943	1.2
56.96557	4.3
57.03428	1.4
57.07085	6.8
57.91064	1.1
59.05011	5.8
59.05242	1.4
65.03928	1.6
67.05511	32.4
68.99820	1.3
69.03419	3.3
69.07070	10.5
70.89553	2.4
71.04991	2.7
76.02232	1.6
79.05497	15.4
81.03415	4.3
81.07060	23.1
83.04976	5.7
83.08639	5.3
85.06071	2.0
85.06548	25.8
91.05480	16.7
93.07047	28.1
95.04972	9.1
95.08053	2.0
95.08614	23.5
97.06501	1.8
99.08098	100.0
103.05456	3.8
105.07036	45.1
107.08602	25.9
108.04475	1.6
109.06522	11.5
109.10163	65.5
110.10495	1.1
110.97560	1.6
111.04435	1.1
111.08074	2.9
115.05457	3.9
117.07015	1.2
118.04154	3.4
119.04952	1.2
119.08589	21.8
121.10152	9.6
123.04434	5.0
123.08086	10.3
123.11729	7.9
125.09652	1.5
128.98651	2.9
129.07048	1.6
131.04840	1.1
131.08563	3.2
132.51288	1.3
133.02873	5.3
133.06511	16.9
133.10141	39.1
135.08073	1.8
135.11700	29.4
137.05986	4.5
137.09625	29.5
137.13264	1.3
138.10425	1.6
146.97426	2.0
146.99699	1.7
147.04411	1.6
147.08104	2.6
147.11690	7.7
149.02393	5.2
149.09607	1.9
149.13217	2.7
151.03905	2.4
151.11169	9.1
151.14743	1.4
158.02707	1.1
161.05991	13.2
163.52963	1.1
165.05495	2.5
165.09097	4.1
165.12704	1.8
165.16409	3.1
166.08800	1.4
175.03798	1.4
175.07584	1.7
175.11214	3.6
175.14845	9.8
178.02641	3.2
193.03302	1.6
193.04985	21.9
193.08630	12.6
193.10191	1.7
193.12262	8.2
193.15889	67.1
194.08127	3.0
194.15454	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	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.00283	1.6
53.03936	2.0
55.01859	5.6
55.05510	23.1
56.96567	3.3
57.03424	4.1
57.07080	7.2
59.05011	6.5
61.19746	1.4
65.03925	3.0
67.05505	46.2
69.03423	3.5
69.07067	18.2
71.04975	5.2
71.05869	2.1
71.06194	1.7
71.08604	1.5
79.05489	20.0
81.03423	12.1
81.07061	36.8
83.04980	12.1
83.08627	6.5
85.06544	26.6
91.05486	23.0
93.07045	36.4
95.04980	14.5
95.08609	38.9
97.06518	6.0
97.10187	2.6
99.08094	89.8
103.05502	7.4
104.06213	2.7
105.07033	57.9
107.04984	1.6
107.08593	36.0
109.06538	14.7
109.10156	78.1
111.08096	2.7
115.05465	6.9
118.04151	4.1
119.08582	32.4
121.10155	26.2
123.04432	2.8
123.08080	16.0
123.11704	14.7
128.98643	2.1
129.06970	2.4
131.08598	3.3
132.05695	2.2
133.02852	2.7
133.06502	30.8
133.10132	46.2
135.11699	45.9
137.05962	4.1
137.09615	30.8
137.13220	1.4
138.10394	1.7
139.11185	1.9
143.06013	2.5
147.04381	1.5
147.08072	2.4
147.11691	12.9
149.02310	1.7
149.09642	2.0
149.13257	6.4
150.03047	1.8
151.07547	4.0
151.11185	14.0
151.14806	8.1
157.10101	2.6
159.03281	1.6
160.05222	1.5
161.05988	28.2
165.12796	2.2
165.16396	6.5
175.11180	4.9
175.14830	24.8
178.02614	3.7
178.07820	1.8
193.04939	23.0
193.08597	28.3
193.10306	2.5
193.12251	12.8
193.15883	100.0
194.08109	1.6
194.15417	2.8
206.76012	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03952	1.1
55.05518	13.3
57.07071	5.5
59.04993	4.2
63.69086	1.0
65.38557	1.0
67.05510	27.8
69.07070	9.0
69.57297	7.5
71.05000	1.1
72.57088	1.1
79.05502	9.2
81.03429	2.0
81.07062	15.6
83.04970	3.2
83.08607	3.4
85.06074	1.8
85.06549	22.7
91.05482	7.8
93.07063	18.1
95.04965	4.3
95.08610	16.9
98.20663	1.8
99.08099	100.0
102.84011	1.3
105.07038	8.6
107.08601	21.0
109.06541	5.4
109.10166	54.8
111.08047	2.1
119.08597	11.1
121.10134	5.0
123.08089	6.6
123.11730	5.6
125.09646	1.3
133.02896	2.4
133.06444	1.5
133.10135	15.7
135.10703	1.4
135.11694	22.7
137.05939	1.2
137.09628	17.7
149.02347	1.4
149.13261	1.1
151.11247	5.3
161.05896	1.6
165.16350	1.8
175.14873	6.2
187.54878	1.2
192.99463	3.7
193.05043	5.2
193.15894	55.3
194.16273	1.9
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	gamma-Ionone
Peak:m/z	Relative Intensity
53.03949	2.5
54.20839	2.4
55.05519	15.0
56.96569	4.9
57.07080	15.9
59.05005	2.7
61.71297	2.2
67.05515	16.4
68.99767	2.6
69.03446	5.0
69.07074	9.7
70.01943	9.1
71.04999	5.6
73.71404	2.3
79.05495	10.5
81.03432	4.3
81.07063	28.8
83.04986	28.4
83.08632	3.0
85.06536	8.3
85.10187	4.7
91.05492	14.8
93.07060	24.9
95.05001	4.6
95.08058	3.2
95.08623	31.0
97.06534	3.5
98.97597	100.0
99.08126	6.8
105.07047	40.6
107.08593	33.3
109.06528	11.3
109.10174	40.4
111.08077	3.1
115.05493	5.5
116.98621	21.0
119.08598	37.8
121.10167	17.7
123.04449	12.5
123.08080	16.4
123.11730	12.2
125.09628	4.2
133.06480	11.8
133.10146	62.7
135.11703	51.5
137.05998	3.3
137.09621	15.1
140.00145	3.6
147.11684	14.1
149.13269	6.1
151.07545	3.5
151.11238	4.7
151.14848	7.6
152.05832	2.5
157.42992	2.8
158.98480	3.9
158.99683	54.0
161.06248	10.4
165.05475	2.5
165.12727	2.9
165.16408	4.2
170.06987	16.5
175.07510	2.9
175.11275	4.4
175.14844	44.9
177.00722	27.2
193.04997	9.5
193.08568	17.9
193.12244	8.9
193.15883	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03960	1.4
55.05264	1.7
55.05515	20.9
57.03434	2.5
57.07080	5.9
59.05001	6.3
65.03922	1.2
67.05510	34.6
69.03423	2.2
69.07076	11.3
69.38503	1.0
69.85896	6.0
71.04989	3.7
71.08627	1.3
72.00557	1.0
76.58080	1.1
78.62711	1.4
79.05505	10.1
81.03409	1.3
81.07063	23.4
83.04988	7.3
83.08609	5.1
84.66971	1.1
85.06552	27.6
91.05479	8.3
93.06480	1.8
93.07050	32.2
95.04930	5.6
95.08613	26.3
97.06543	1.9
97.10147	1.2
98.20847	2.3
99.08102	100.0
105.07032	13.2
107.08603	32.8
109.06538	10.5
109.10166	75.3
111.08085	2.7
117.06996	1.6
119.08587	25.0
121.10154	11.2
122.07316	1.8
123.08089	10.7
123.11710	8.3
131.08588	1.6
133.06503	1.3
133.10144	35.4
134.12469	1.1
135.11702	47.6
137.08656	2.0
137.09630	24.5
138.10358	2.2
147.11679	4.0
149.13271	3.0
151.11206	9.5
151.14798	5.6
163.14980	1.1
165.16420	4.2
175.14839	20.3
178.02640	1.5
191.30670	1.2
193.05026	5.5
193.15901	73.8
194.16280	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03959	2.5
55.01877	2.6
55.05518	37.5
57.07048	2.3
65.03938	2.3
67.01852	1.9
67.05510	20.9
69.03409	1.7
69.06791	1.7
69.07076	20.1
69.78354	8.2
70.90240	1.7
71.04990	4.3
71.34435	1.6
76.02208	2.8
79.05131	1.7
79.05505	16.8
81.03415	3.1
81.07065	42.4
83.04484	3.9
83.04985	78.3
83.08614	4.1
85.06543	6.7
91.05486	12.3
93.07048	18.9
95.04945	6.9
95.08617	25.9
95.77457	1.8
97.06544	4.4
98.20826	2.6
99.08091	8.5
105.07027	24.7
107.08600	24.7
109.06509	12.0
109.09464	3.1
109.10160	37.6
111.08092	5.2
111.11736	3.0
119.08585	26.0
121.10182	9.4
123.08060	9.9
123.11714	7.1
125.09692	2.1
131.08557	3.2
133.02872	3.0
133.06544	2.2
133.10146	52.0
135.11708	22.0
137.09633	21.3
147.04347	2.7
147.11681	4.9
149.13228	2.9
151.04051	1.9
151.11208	2.3
153.01787	1.9
156.87096	1.6
158.02766	2.8
175.11292	1.9
175.14856	22.9
184.33028	1.8
185.36171	1.7
192.30435	2.0
193.04979	100.0
193.12241	5.1
193.15877	35.6
205.29868	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03947	1.5
53.41563	1.2
54.66006	1.3
55.01848	1.0
55.05517	16.0
57.07083	5.1
57.27935	1.0
59.05014	4.9
67.05182	1.6
67.05514	30.9
69.07076	8.9
70.90019	1.7
71.04987	2.5
79.05492	9.6
81.07073	16.3
83.04969	2.9
83.08635	4.9
85.06554	24.4
91.05476	5.0
93.07058	19.5
95.04976	4.6
95.08620	18.4
97.06565	1.4
99.08106	100.0
105.07037	7.5
107.08609	23.9
109.06505	5.3
109.10169	59.8
109.10823	0.9
111.08100	3.2
117.07000	1.5
119.08579	12.7
121.10146	7.4
123.08091	8.9
123.11729	6.1
131.08549	0.9
133.10150	19.4
135.11717	27.9
137.09627	20.2
138.10394	1.6
143.87460	1.1
149.13303	1.7
151.11200	6.3
151.14792	1.4
165.16440	2.8
170.74231	1.0
175.14816	9.4
193.04980	1.4
193.15903	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	193.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.7
55.01872	2.5
55.05518	26.1
56.96558	5.5
57.03440	2.8
57.07077	5.8
58.52142	2.3
59.05009	4.0
65.03938	11.0
65.14542	2.0
65.87663	1.8
67.05183	2.2
67.05516	35.8
68.99794	4.1
69.03427	3.7
69.07079	19.9
69.79052	9.7
69.79461	3.9
71.05000	2.8
74.49780	2.0
76.02218	4.6
78.17814	2.2
79.05507	22.2
81.03424	3.8
81.07065	37.4
83.04987	26.9
83.08624	5.5
85.06555	24.3
90.05544	2.8
91.05479	18.4
93.07056	29.7
95.04954	6.6
95.08628	27.6
96.87237	1.9
97.06570	2.3
98.97579	9.1
99.08105	100.0
101.89492	2.0
103.05492	3.2
105.07038	31.6
107.08604	35.9
109.06550	18.7
109.10169	62.1
111.08081	4.3
115.05441	3.5
116.98656	2.6
118.04139	3.2
119.08599	30.2
121.02847	3.8
121.06520	2.9
121.10175	11.6
123.04410	12.4
123.08066	14.1
123.11726	7.8
125.09646	2.8
129.75362	2.0
131.08585	2.6
133.02858	7.3
133.06520	17.5
133.10135	42.6
135.11702	38.0
137.05992	3.6
137.09651	21.1
139.03954	3.4
147.08054	4.0
147.11688	8.2
149.02351	36.0
149.03503	8.5
149.09584	2.9
149.13254	4.4
151.03926	2.3
151.07529	4.1
151.11201	11.1
153.21774	2.8
161.06007	10.8
165.05540	1.9
165.09116	6.6
175.07545	3.6
175.11252	2.2
175.14839	17.7
178.02672	7.9
193.04980	34.2
193.08594	17.5
193.12263	6.6
193.14200	4.5
193.15909	75.1
193.17685	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	193.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.4
55.05264	1.7
55.05515	20.9
57.03434	2.5
57.07080	5.9
59.05001	6.3
65.03922	1.2
67.05510	34.6
69.03423	2.2
69.07076	11.3
69.38503	1.0
69.85896	6.0
71.04989	3.7
71.08627	1.3
72.00557	1.0
76.58080	1.1
78.62711	1.4
79.05505	10.1
81.03409	1.3
81.07063	23.4
83.04988	7.3
83.08609	5.1
84.66971	1.1
85.06552	27.6
91.05479	8.3
93.06480	1.8
93.07050	32.2
95.04930	5.6
95.08613	26.3
97.06543	1.9
97.10147	1.2
98.20847	2.3
99.08102	100.0
105.07032	13.2
107.08603	32.8
109.06538	10.5
109.10166	75.3
111.08085	2.7
117.06996	1.6
119.08587	25.0
121.10154	11.2
122.07316	1.8
123.08089	10.7
123.11710	8.3
131.08588	1.6
133.06503	1.3
133.10144	35.4
134.12469	1.1
135.11702	47.6
137.08656	2.0
137.09630	24.5
138.10358	2.2
147.11679	4.0
149.13271	3.0
151.11206	9.5
151.14798	5.6
163.14980	1.1
165.16420	4.2
175.14839	20.3
178.02640	1.5
191.30670	1.2
193.05026	5.5
193.15901	73.8
194.16280	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.45544	2.5
53.03933	8.2
55.01864	5.8
55.05498	10.9
56.96551	8.6
57.03442	92.0
65.03943	3.0
67.05511	27.4
69.03415	5.1
69.07048	6.4
71.04992	2.6
72.60004	2.2
72.89424	2.2
79.05490	24.9
81.03423	26.9
81.07045	18.2
83.04985	4.0
83.08628	3.5
85.06538	6.7
91.05486	74.5
93.07053	64.4
95.04980	28.3
95.08611	17.5
97.06532	7.7
99.08117	4.3
100.38663	2.6
103.05461	4.9
105.04534	3.6
105.07039	69.1
106.07307	3.1
107.04916	4.1
107.08587	12.3
109.06498	9.2
109.10165	21.1
110.97542	2.6
111.08111	3.3
115.05466	2.4
117.07043	12.0
119.04929	3.8
119.08588	100.0
121.06516	54.1
121.10121	5.5
123.04401	4.0
123.08057	7.0
123.11733	3.5
129.07021	8.4
131.04926	3.5
131.08563	6.4
133.02910	4.3
133.06503	18.0
133.10133	59.3
135.08040	9.3
135.11688	5.9
137.09625	45.0
142.07759	6.6
145.06424	4.9
146.07292	6.8
147.08083	22.6
147.11699	51.8
149.02350	4.0
149.09680	4.8
157.10104	11.9
160.08850	7.7
161.06007	5.5
165.05508	2.9
165.12675	3.2
175.03847	2.7
175.09753	4.9
175.11192	60.5
175.14847	3.2
178.02632	6.3
193.04988	25.8
193.08629	6.1
193.12254	30.2
193.15886	7.1
194.15428	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03938	4.8
55.01882	9.6
55.05510	18.4
56.96574	23.1
57.03439	7.1
57.07066	5.4
63.15606	1.5
65.03941	7.6
67.05511	65.8
69.03430	7.2
69.07069	25.2
71.04990	11.3
71.55963	2.4
76.02213	2.7
79.05502	52.9
81.03420	19.7
81.07063	60.2
83.04979	16.8
83.08620	5.8
85.02901	2.8
85.06542	8.9
91.05486	96.6
93.06480	2.4
93.07054	47.3
95.04977	33.9
95.08612	34.7
97.02888	10.4
97.05607	1.6
97.06540	22.0
97.10159	1.6
98.97604	3.5
99.04409	1.7
99.08094	9.6
100.01816	2.2
101.09620	1.7
103.05479	6.0
105.04497	2.2
105.07041	100.0
107.04965	11.7
107.08609	32.3
109.06526	36.3
109.10163	25.5
110.76450	1.5
110.97566	4.2
111.04494	2.7
111.08084	3.4
113.06031	4.3
115.05475	8.1
117.06991	3.8
118.04169	2.7
119.04965	3.7
119.08590	66.6
120.03384	2.4
121.06500	5.7
121.10150	19.5
123.04429	3.6
123.08066	12.7
123.11726	11.3
125.05993	3.5
128.02289	2.0
128.98611	2.8
129.07013	19.9
131.08580	22.0
133.02852	6.5
133.06516	31.6
133.10143	97.0
134.10475	1.9
135.08061	6.3
135.11693	21.8
137.06012	6.9
137.09634	11.3
137.13240	1.8
142.07780	4.5
142.38715	1.6
145.10101	3.7
146.97389	1.9
146.99660	2.0
147.08064	7.9
147.11702	81.6
148.12102	1.8
149.02266	3.3
149.09636	16.9
149.13342	3.6
151.03967	1.8
151.07532	5.5
151.11186	5.2
154.20642	1.8
157.08815	2.1
157.10136	42.7
158.02678	3.4
161.06010	23.9
165.05457	2.8
165.09204	1.7
165.12741	7.4
166.08635	2.5
170.06009	2.0
175.03960	1.9
175.07573	1.6
175.11194	63.3
175.14813	20.8
178.02660	5.9
190.02039	1.9
193.04939	28.7
193.08607	14.3
193.10399	2.5
193.12253	48.5
193.14148	3.8
193.15898	36.5
193.17650	3.2
194.08167	2.9
194.15489	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	193.1227
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03939	3.7
55.01880	10.9
55.05268	1.5
55.05513	19.0
56.68030	1.1
56.96573	8.5
57.03450	7.9
57.07071	3.1
59.04991	1.4
65.03941	4.1
67.05512	48.0
69.03430	4.6
69.06731	1.9
69.07079	26.7
70.06577	1.8
70.83498	2.5
71.05004	8.9
76.02218	3.6
76.18065	1.0
77.03924	2.0
79.05503	46.3
79.05968	2.3
81.03427	26.1
81.07066	53.7
83.01334	1.4
83.04989	9.6
83.08631	7.8
85.02886	1.6
85.06547	9.2
85.07024	1.4
87.04479	1.5
90.05592	1.4
91.05493	80.9
93.07057	33.1
95.04984	30.0
95.08630	19.9
97.02887	1.2
97.06539	28.3
98.97585	12.9
99.04462	2.3
99.08103	6.9
101.00840	1.4
103.05492	8.7
104.06275	1.7
105.03397	1.2
105.04568	1.3
105.07043	85.4
107.04958	10.8
107.08609	26.6
109.02897	1.2
109.06535	32.1
109.09469	1.5
109.10170	18.3
110.97578	2.5
111.04436	3.3
111.08087	3.9
111.11671	1.1
113.06035	7.8
115.05459	11.7
116.98627	6.8
117.07024	3.6
118.04163	3.6
119.01933	1.5
119.04951	3.3
119.08597	68.5
121.06518	4.4
121.10155	15.1
123.02900	1.0
123.04410	2.0
123.08086	15.3
123.11722	6.6
125.06035	2.5
128.06221	2.2
128.98621	2.0
129.07024	28.4
130.53395	1.1
131.04938	2.0
131.08575	20.5
133.01009	1.2
133.02866	7.0
133.05496	1.3
133.06512	33.3
133.10149	62.0
134.99712	1.8
135.08095	2.0
135.11703	16.2
137.06020	7.2
137.06892	1.1
137.09630	17.3
138.06786	2.1
138.10432	1.1
139.53917	1.3
142.07794	7.4
143.01894	1.7
143.06033	3.6
145.10127	3.9
146.97423	1.9
146.99666	1.9
147.04405	2.6
147.08066	5.8
147.11707	100.0
148.03923	1.2
148.38210	1.2
149.02344	4.8
149.09636	26.6
149.13242	4.2
150.01392	2.7
150.48846	1.2
151.03854	2.1
151.07529	3.1
151.11211	4.0
151.14780	1.5
155.08568	1.3
157.10144	65.5
158.02728	3.1
158.99678	3.9
160.05231	1.3
161.00624	1.6
161.03026	1.5
161.06010	25.9
162.06592	1.2
165.05502	2.3
165.12756	11.7
173.09192	2.4
175.07869	1.8
175.11208	90.7
175.14806	18.3
177.00710	4.2
178.00861	7.1
178.02641	3.5
181.08081	1.8
193.03207	9.6
193.04985	25.4
193.08629	22.2
193.12267	65.2
193.15875	26.2
194.08084	1.6
194.15427	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02354	2.0
53.03952	3.2
55.01869	11.4
55.05507	10.2
56.96568	7.2
57.03439	9.9
57.07067	4.6
63.02382	1.4
63.92579	1.2
65.03929	5.7
67.05507	48.7
68.99865	1.5
69.03413	5.6
69.07068	18.8
70.05582	5.0
71.04997	7.4
76.46778	1.2
77.03922	2.2
79.05495	45.7
80.04998	1.5
81.03416	16.9
81.06586	2.7
81.07057	55.1
83.04980	9.7
83.08602	5.6
85.06541	7.4
91.05482	84.2
93.07046	34.3
95.04971	29.9
95.08607	21.0
97.06537	31.9
99.04471	2.4
99.08097	8.3
103.05447	6.3
104.06226	1.6
105.03417	1.5
105.04495	2.3
105.07031	86.1
107.04949	9.0
107.08598	25.7
109.06528	30.0
109.10160	13.8
111.04435	2.9
111.08046	4.1
113.05999	7.4
115.05450	11.8
116.06184	1.4
117.07012	3.7
118.04198	2.1
119.04916	4.1
119.08586	61.7
121.06474	2.9
121.10157	11.2
122.03600	1.4
123.04426	5.6
123.08065	9.5
123.11699	5.6
125.06001	2.6
128.06216	2.6
128.98615	2.7
129.07010	30.9
131.08571	22.0
133.02863	6.6
133.06497	24.1
133.10130	59.1
134.26593	1.4
135.08041	4.7
135.11678	10.0
137.05956	4.8
137.09584	6.7
142.07770	9.5
145.10098	3.8
146.97397	2.7
146.99635	3.8
147.04390	1.9
147.08090	7.3
147.11691	96.1
149.02316	7.0
149.03432	2.2
149.05923	1.6
149.09615	26.5
149.13313	1.9
150.03178	1.5
151.07520	4.8
151.11212	2.8
157.10132	69.8
160.08882	2.0
161.05998	21.3
165.05409	2.7
165.09102	2.4
165.12781	8.1
166.08621	1.9
175.11188	100.0
175.14711	8.5
178.01183	1.7
178.02539	6.5
178.07762	3.3
193.03271	3.1
193.04970	30.8
193.08571	13.3
193.10226	3.9
193.12236	81.6
193.15840	16.0
194.15384	2.5
205.73169	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03946	5.5
55.01855	6.4
55.05511	17.1
56.96572	11.4
57.03440	5.1
57.07065	10.1
65.03939	5.6
67.05505	78.6
69.03426	8.2
69.07066	21.4
69.53706	4.8
69.54102	13.3
71.04996	6.2
79.05495	67.3
81.03419	14.3
81.07059	72.0
83.04638	1.9
83.04997	19.7
83.08628	4.9
85.06535	4.1
90.07373	2.2
91.05483	100.0
93.07047	44.0
95.04963	25.1
95.08607	38.3
97.02887	20.2
97.06532	19.8
99.08108	5.5
103.05492	3.7
105.07033	81.8
107.04973	10.1
107.08581	20.5
108.04488	4.2
109.01914	2.1
109.06522	23.4
109.10151	9.6
110.97594	5.3
111.04446	6.4
111.08117	2.3
113.05983	2.7
115.05466	6.6
117.06993	3.9
119.04971	4.2
119.08593	60.8
121.06482	3.0
121.10121	15.2
123.04462	5.7
123.08074	8.9
123.11691	4.0
128.98611	7.3
129.07005	19.9
130.07672	2.3
131.08560	22.8
133.02855	8.6
133.06499	15.5
133.10132	85.5
135.08076	3.1
135.11693	8.4
137.05988	6.0
137.09615	6.6
142.07819	8.0
146.97502	3.8
146.99658	6.5
147.04350	3.9
147.08044	7.5
147.11697	81.2
148.07477	2.9
149.02364	14.9
149.09624	11.4
149.13275	3.4
151.07602	3.3
151.11197	3.3
157.10121	36.3
161.06053	10.6
161.09660	3.8
165.05452	3.3
165.12779	12.7
167.01031	2.3
169.99107	2.9
175.07590	3.1
175.11191	46.7
175.14789	15.1
178.02663	7.2
193.04947	49.1
193.08592	6.6
193.10384	3.6
193.12236	67.8
193.14056	4.5
193.15836	14.4
193.17621	2.2
194.08113	2.9
194.15584	2.6
196.82953	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	193.0499
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
50.95956	0.3
53.03934	1.3
55.01881	1.9
55.05526	2.3
56.96556	1.3
57.03415	0.9
57.07050	0.5
59.04981	0.6
62.14085	0.3
65.03907	0.7
66.04722	0.6
67.05510	2.9
69.03433	0.8
69.07053	1.4
70.06590	0.8
71.04996	0.5
71.18594	0.7
76.02216	0.7
76.46806	0.4
77.03918	0.5
79.05498	5.6
81.03400	0.8
81.07060	3.3
83.04979	1.6
83.08633	0.5
84.00607	0.4
85.02895	0.5
85.06544	1.4
89.03903	1.3
90.04713	0.5
90.05515	0.5
91.04974	0.5
91.05487	6.4
93.07041	3.4
94.04203	1.3
95.04959	1.5
95.08622	2.5
97.02909	0.7
98.97591	1.9
99.08105	4.7
103.05474	5.3
105.03423	2.0
105.07037	34.3
107.04970	0.8
107.08600	4.0
109.06511	2.4
109.10169	4.8
111.04405	0.5
111.08082	0.4
115.05467	6.9
116.98606	0.7
117.03385	0.5
117.07023	0.7
118.04179	3.7
119.04966	0.7
119.08572	4.4
121.06507	1.3
121.10149	1.7
122.03649	5.5
123.08065	1.3
123.11690	0.9
125.09658	0.9
128.98633	0.5
129.07031	0.6
130.04132	0.4
131.04948	1.4
131.08562	0.5
133.02864	35.3
133.06502	25.4
133.10143	8.1
134.03656	0.5
135.08159	0.4
135.11719	3.6
137.05989	10.5
137.09621	1.9
143.05006	0.6
143.06018	2.4
147.04416	1.1
147.07983	0.7
147.11693	2.3
149.02400	0.5
149.05974	2.7
149.09589	0.4
150.03148	6.4
151.07530	0.5
151.11200	1.3
158.02756	0.6
161.02362	1.3
161.05995	30.2
164.04533	0.4
165.05493	4.3
175.03914	0.7
175.11186	1.7
175.14853	3.5
177.00748	0.6
178.02625	38.6
181.06232	0.7
193.04977	100.0
193.08504	5.6
193.12115	2.5
193.15904	8.2
194.05388	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0496
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
53.03936	0.5
53.84192	0.2
55.01866	0.7
55.05518	2.3
56.96552	0.5
57.03428	0.3
57.07060	0.2
58.99574	0.8
63.61675	0.2
65.03928	0.4
66.36292	0.2
67.01865	3.0
67.05498	1.7
68.99799	1.2
69.03416	0.6
69.07070	1.2
69.58389	1.4
71.04978	0.4
72.96049	0.2
76.02230	2.0
79.05496	1.9
81.03413	0.7
81.07062	3.0
82.56108	0.2
83.04989	3.6
83.08571	0.2
85.02918	1.4
85.06547	0.3
85.22884	0.2
88.02209	0.3
90.05540	1.1
91.01807	0.2
91.05484	6.9
93.07038	1.9
95.04977	1.1
95.08617	1.7
97.06508	0.3
98.97581	0.3
99.08088	0.4
103.05482	0.5
104.01691	0.3
105.07033	9.6
107.08604	1.8
109.02859	0.5
109.06507	1.2
109.10152	1.8
110.97610	0.3
111.08057	0.3
115.05459	0.4
116.01662	0.7
117.07042	0.4
119.04942	0.8
119.08582	3.3
121.06546	0.2
121.10143	0.7
123.04417	0.5
123.08086	0.8
123.11718	0.4
125.06019	1.2
127.03913	1.0
129.07076	0.2
131.04974	0.3
131.08559	1.9
133.02853	1.0
133.06535	1.2
133.10133	22.7
135.11717	1.3
137.06024	1.2
137.09613	1.4
146.99832	0.2
147.04443	2.0
147.08064	0.2
147.11690	4.5
149.09621	0.3
149.13194	0.3
150.03081	0.3
151.03868	1.4
151.07591	0.4
151.11148	1.0
152.08336	0.2
153.01843	2.5
157.10150	0.5
158.02745	1.7
161.05394	1.2
163.69229	0.2
165.05463	1.2
165.09143	0.2
165.12859	0.3
169.04991	1.1
175.03918	0.6
175.11166	1.7
175.14822	1.4
175.16103	0.2
176.03734	0.3
178.02614	0.7
192.73340	0.3
193.04967	100.0
193.12146	2.8
193.15877	2.5
194.05399	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0655
Annotation	5-Hydroxyindoleacetate
Peak:m/z	Relative Intensity
53.00308	0.6
53.03937	0.7
55.05515	0.5
56.05032	0.7
56.96569	3.9
57.03427	0.9
58.06621	0.5
58.99588	0.5
59.92356	0.4
65.03938	0.5
67.05492	0.5
69.03427	0.8
69.44559	1.5
69.44986	1.6
70.06588	0.8
70.38872	0.4
71.01358	1.1
72.93782	1.5
73.02915	0.6
75.57265	0.4
77.03945	0.7
79.05502	1.0
81.03438	0.6
83.04971	0.4
85.02892	0.6
90.94812	0.7
91.05478	3.8
92.05017	0.6
94.06573	23.6
95.04963	1.3
97.02900	0.9
98.09679	1.3
98.97592	2.2
99.00196	0.7
99.00822	11.5
99.78331	0.4
103.05484	0.5
104.04995	18.7
105.07020	1.2
107.04972	0.7
110.97569	0.9
111.04471	0.5
116.10737	13.0
116.98615	0.8
117.05769	0.7
118.06551	7.8
119.01841	0.5
119.04912	0.7
120.04481	3.1
120.08112	0.9
121.06512	0.5
122.06021	1.9
123.04470	0.8
128.04990	2.3
128.98640	1.0
129.07002	0.5
130.06590	0.5
130.12285	1.4
131.04832	0.5
132.04465	17.0
132.95821	4.1
133.06435	0.5
133.10114	0.4
134.99522	0.5
135.04456	0.9
136.06685	0.4
136.07559	2.7
146.06015	100.0
146.09610	2.7
147.06335	1.0
149.96106	0.8
150.05505	15.6
150.06686	1.0
150.96886	6.6
151.05858	0.6
160.05038	1.0
164.07062	3.0
167.97229	0.7
168.98056	0.7
172.95175	0.6
173.02811	0.6
174.05516	22.2
174.14917	1.2
186.96829	1.8
186.99159	1.4
191.97162	1.1
192.06586	7.2
192.08255	0.9
192.10046	2.3
192.14604	0.8
192.16083	0.5
192.17526	1.7
193.04987	0.9
204.97792	0.6
209.98207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1797
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03951	4.2
55.05517	17.3
57.07069	8.4
67.05511	28.9
68.05039	1.9
69.03422	2.7
69.07080	27.3
71.04983	2.0
71.06373	3.2
71.06695	3.2
79.05505	40.0
81.07066	35.5
83.08620	13.6
86.79301	2.0
91.05488	16.1
93.07055	69.8
95.04980	3.5
95.08623	56.5
97.10170	10.7
105.07025	10.5
107.04967	5.7
107.08607	65.6
109.06591	3.5
109.10166	41.6
112.50249	1.9
117.06984	3.0
119.08582	6.2
121.06507	2.6
121.10159	100.0
123.11743	7.0
131.08604	10.6
133.10167	9.8
134.07176	2.4
135.04446	21.0
135.08076	8.1
135.11707	66.2
145.10179	5.6
146.06136	1.8
147.11713	2.5
148.08809	2.2
148.67758	1.9
149.08263	8.8
149.09596	4.3
149.13264	16.8
163.11163	2.5
163.14830	4.6
173.13298	7.7
191.06915	2.2
191.10715	8.1
191.14371	22.2
191.17973	63.0
192.12498	2.0
203.92760	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03935	2.9
55.01858	4.4
55.05494	6.1
56.96540	3.6
57.07055	2.9
67.05515	22.5
69.03431	8.1
69.07065	11.6
69.40861	17.4
71.05016	9.4
73.29354	2.1
79.05492	18.7
81.07066	14.9
83.04973	5.0
83.08623	3.7
85.06532	4.5
91.05486	24.2
93.07066	24.2
95.04983	13.4
95.08612	20.8
97.06549	6.7
98.21462	3.1
99.08047	2.0
103.05475	5.8
105.07037	49.4
107.04935	6.9
107.08605	46.1
109.06524	37.0
109.10166	64.7
109.83862	2.3
111.08099	3.2
115.05437	3.0
117.07056	10.1
119.08597	14.8
121.06528	10.5
121.10146	29.0
123.08056	16.3
123.11685	8.4
129.06978	4.8
130.07770	2.5
131.04900	2.3
131.08577	55.7
132.96483	2.5
133.06450	4.1
133.10144	87.3
135.04448	2.5
135.08066	85.4
135.11725	9.7
141.96915	3.5
143.08557	5.5
144.09322	2.6
145.06529	2.8
145.10127	25.8
147.08076	4.9
147.11679	11.1
148.05223	2.8
149.01231	3.9
149.09630	15.7
149.13239	10.8
150.10471	3.0
158.10938	13.7
161.09645	3.4
163.07538	4.2
163.11215	5.9
163.14879	4.9
173.09636	7.7
173.13281	55.4
176.11969	3.5
191.06981	10.3
191.10655	22.9
191.14322	100.0
191.17947	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	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03941	3.5
55.01855	3.6
55.05517	7.1
57.03437	1.6
57.07082	2.6
61.90931	1.3
62.45027	1.4
62.73490	1.3
65.03941	1.5
67.05508	19.6
69.03432	7.4
69.07079	10.7
70.28471	3.4
70.28840	3.2
71.04990	8.6
79.05493	17.4
81.07056	16.1
83.04980	3.2
83.08606	3.3
85.06521	4.9
91.05481	27.1
93.07047	22.9
95.04981	13.1
95.08609	17.5
97.06526	7.2
97.07059	1.5
102.04720	1.5
103.05470	14.5
105.03399	1.4
105.07037	47.3
107.04945	4.5
107.08601	38.5
109.06524	33.3
109.10162	54.7
111.08089	2.5
115.05444	4.2
116.06308	1.5
117.06969	8.5
118.04131	4.9
119.07822	1.6
119.08593	19.5
121.06494	7.4
121.10143	24.9
123.08086	13.3
123.11682	3.7
129.06990	4.4
130.04167	1.5
130.07800	2.2
130.43869	1.4
131.04948	7.3
131.08574	59.8
133.06561	2.1
133.10141	100.0
135.04472	2.5
135.08060	65.3
135.11688	11.2
143.08569	7.2
144.09320	2.9
145.06447	2.1
145.10124	25.6
147.04379	1.6
147.08023	2.6
147.11687	9.3
148.05186	6.0
148.08820	3.2
149.09589	14.2
149.13269	13.3
150.10419	2.8
158.10922	13.1
161.09608	3.2
163.07547	10.8
163.11197	12.0
163.14827	2.6
171.11642	2.0
173.09601	5.9
173.13272	58.1
176.11987	2.0
191.03351	1.6
191.07021	13.5
191.10699	23.2
191.14313	83.2
191.16045	3.5
191.17953	5.3
192.14682	2.0
208.41280	1.5
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	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.05501	6.2
56.96559	3.9
57.03418	2.5
57.07058	2.4
62.66854	2.0
67.05511	21.8
69.03427	10.4
69.07072	9.9
70.78806	4.5
70.79140	2.1
71.04996	27.1
79.05501	13.6
81.07047	17.6
83.04977	7.8
83.08607	2.9
85.06548	11.6
91.05489	26.5
93.07047	24.9
95.04955	8.0
95.05510	2.0
95.08600	14.8
97.06537	14.4
103.05476	5.6
105.07040	50.2
107.04957	5.1
107.08599	61.7
109.06564	10.9
109.10158	37.9
111.08058	3.6
115.05471	2.6
117.07024	6.4
119.08577	24.2
121.06502	8.7
121.10156	67.1
123.08080	23.2
129.06973	1.9
130.07802	3.5
131.04927	4.3
131.08582	49.2
133.10138	71.7
135.08064	26.2
135.11711	6.6
137.09662	2.7
143.08575	7.2
144.09334	3.6
145.06519	2.5
145.10147	18.8
147.11697	23.0
149.05971	2.1
149.09660	11.6
149.13254	21.0
158.10896	12.1
163.07538	3.9
163.11165	4.1
163.14795	4.8
167.05545	2.9
173.09618	3.4
173.13277	49.6
191.03406	2.7
191.06955	5.3
191.10652	7.7
191.14316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.8
55.01863	1.8
55.05495	3.1
55.19775	0.8
56.96564	2.0
57.03431	1.1
57.07059	1.5
59.04985	1.3
67.05512	5.5
69.03423	3.4
69.07064	6.4
70.89138	1.0
70.89465	1.3
71.04985	3.7
79.05504	6.8
81.07065	9.0
83.04968	2.1
83.08604	1.6
85.06547	4.6
91.05486	20.9
93.07056	15.6
93.85458	0.8
95.04948	3.2
95.08621	7.7
96.48486	0.9
97.06547	5.7
98.97559	0.8
103.05450	3.1
105.07036	34.5
107.04959	2.1
107.08602	23.0
109.06524	3.8
109.10147	3.3
111.08041	2.1
115.05447	1.8
116.06272	1.1
117.07018	4.9
119.08588	12.8
121.06530	4.6
121.10165	8.7
123.08060	4.1
123.11716	1.9
129.06998	3.1
130.07747	2.6
131.04933	1.6
131.08578	32.4
133.10139	100.0
135.08067	12.0
135.11737	4.6
143.08549	4.9
144.09364	2.4
145.06519	1.2
145.10126	15.2
147.11684	8.2
148.05206	1.1
149.09680	5.5
149.13277	9.6
158.10945	8.4
163.07574	2.4
163.11182	4.7
163.14845	1.8
171.11662	1.0
173.06075	1.1
173.09610	2.5
173.13277	36.4
176.12007	1.4
191.03384	0.9
191.06955	4.7
191.08945	1.1
191.10660	5.2
191.14325	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
55.01865	2.7
55.05500	5.6
57.03441	2.1
59.04995	2.5
61.63251	1.7
67.05502	11.7
69.03416	3.4
69.07074	8.8
70.59756	3.3
70.60087	1.4
71.04994	7.6
76.83098	1.3
79.05492	11.9
81.07066	10.0
83.04967	3.4
83.08607	4.2
85.06531	2.0
91.05476	22.0
93.07037	18.3
95.04964	14.6
95.08609	10.6
97.06524	8.2
103.05482	2.1
105.07032	43.0
107.08598	29.8
109.06509	20.6
109.10153	36.0
111.08086	1.6
115.05454	2.7
117.07021	9.0
119.08590	19.5
121.06519	6.1
121.10143	20.3
123.08046	8.2
123.11695	3.1
129.07013	5.7
130.07777	3.7
131.07587	3.3
131.08569	74.4
133.10135	100.0
135.04393	1.4
135.08061	38.8
135.11681	3.6
143.08545	10.4
144.09360	2.1
145.10126	32.3
147.08112	1.5
147.11682	9.8
149.09624	12.1
149.13264	17.6
150.10416	2.4
158.10925	15.0
158.12141	2.3
163.11201	4.4
163.14819	3.4
173.09578	1.5
173.13260	55.1
176.65041	1.5
191.10728	8.9
191.14320	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.4
55.05507	6.4
57.03431	2.0
57.07090	2.1
61.50907	1.3
63.28287	1.3
67.05511	9.8
69.03433	9.7
69.07073	9.2
69.50074	10.0
71.04996	4.7
79.05499	9.5
81.07059	14.3
83.04996	6.7
83.08605	2.5
85.06557	2.5
91.05489	21.1
93.07050	17.1
95.04969	7.8
95.08611	23.9
97.06547	14.3
103.05482	4.5
105.07036	37.5
107.04971	5.1
107.08597	28.7
109.06511	6.1
109.10181	7.5
111.08116	3.4
115.05389	1.4
116.06279	1.3
117.07031	6.4
119.08598	18.6
121.06501	11.7
121.09329	2.1
121.10155	29.0
123.08092	8.1
129.07030	4.4
130.07776	1.7
131.04904	2.6
131.08575	41.5
132.54623	1.3
133.10141	100.0
135.08060	16.1
135.11726	7.1
143.08586	8.9
144.09319	2.5
145.10143	22.4
147.08020	3.5
147.11691	15.5
148.08867	2.8
149.09613	11.2
149.13264	15.6
158.10927	16.5
159.08051	2.0
160.05032	1.5
161.09616	2.4
163.11208	3.7
163.14825	8.7
173.09636	1.6
173.13275	56.2
174.13525	1.6
176.12077	1.9
191.06960	2.8
191.10753	7.3
191.14319	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	191.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
55.05524	7.8
56.96561	3.4
57.03417	1.5
57.07087	2.2
65.03934	2.8
65.11361	1.3
67.05511	27.7
69.03439	7.4
69.07080	10.0
70.09927	6.1
71.05000	35.4
79.05500	18.6
81.07059	22.8
83.04974	4.5
83.08608	4.0
83.85365	1.3
85.01068	1.3
85.06552	16.2
91.05489	31.6
93.07051	30.6
95.04962	9.3
95.08611	15.9
97.06538	13.6
98.97591	1.7
103.05470	6.6
105.07039	52.9
107.04947	4.3
107.08601	55.8
109.06548	17.2
109.10168	49.7
111.08095	4.3
115.05474	2.3
116.06214	2.1
117.07040	9.1
118.04171	2.7
119.08585	20.1
121.06522	11.9
121.10158	60.5
121.11042	2.9
123.08092	29.7
123.11721	3.8
129.07019	2.9
130.07784	3.3
131.04915	4.0
131.08585	56.1
133.02821	1.9
133.06497	2.8
133.10147	57.8
135.04391	1.5
135.08064	29.9
135.11681	5.9
143.08572	6.0
144.09291	3.5
145.06480	2.3
145.10124	23.2
147.08067	2.3
147.11703	26.2
148.05176	2.6
149.05966	1.4
149.09642	11.8
149.13274	20.1
158.10945	11.0
161.09637	2.3
163.07584	3.8
163.11209	5.2
163.14865	2.7
166.15349	1.6
173.09698	1.8
173.13275	56.9
174.43956	1.4
176.04745	1.5
186.34445	1.6
191.07100	5.4
191.10681	10.1
191.14340	100.0
191.16208	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	191.1433
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.56866	1.3
53.03929	1.6
55.01865	2.6
55.05503	6.1
56.94006	1.4
57.03433	1.5
57.07069	3.5
60.13889	1.5
65.03951	1.9
65.08027	1.2
67.05517	12.2
69.03437	13.3
69.07079	12.8
69.58719	9.6
71.05012	2.4
73.50192	1.4
76.12894	1.4
77.08396	1.3
77.62910	1.4
79.05495	12.5
80.27820	1.6
81.07069	13.8
83.04996	10.5
83.08612	2.4
85.06541	4.5
91.05492	17.6
93.07060	17.5
95.04978	15.1
95.08611	21.9
97.06531	9.4
97.37260	1.4
98.50957	1.4
103.05470	3.4
105.07036	34.8
107.04961	8.2
107.08604	39.3
109.06556	10.7
109.10141	5.3
111.08091	4.3
115.05470	1.8
117.06995	7.0
119.08599	14.8
121.06522	19.1
121.10155	32.1
123.08099	8.2
129.07005	3.2
130.07726	2.3
131.08574	29.5
133.06523	2.8
133.10144	71.0
135.08075	17.9
135.11710	8.9
143.08545	6.4
144.09479	1.7
145.10117	20.7
147.08075	4.6
147.11694	19.5
148.08826	6.0
149.05983	2.8
149.09618	15.5
149.13263	18.1
158.10954	13.0
161.09590	2.1
163.11131	2.1
163.14848	6.7
173.09564	2.4
173.13284	41.0
182.55305	1.5
191.07011	3.6
191.10764	9.5
191.14323	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94436	1.5
53.03931	1.5
54.69282	1.4
55.01872	2.0
55.05494	4.5
57.03410	1.6
57.07077	1.6
67.05496	6.1
69.03435	11.3
69.07063	5.4
69.20784	14.9
71.04987	3.1
79.05500	13.6
81.07050	6.0
83.04974	10.7
83.08630	1.6
91.05485	18.5
93.07059	14.8
95.04955	3.9
95.08617	7.6
95.63197	1.9
97.06534	7.9
98.21468	2.7
103.05438	2.0
105.07039	28.1
107.04945	5.4
107.08598	48.2
109.06516	5.9
109.10162	2.1
111.08051	2.0
115.05454	2.9
117.07048	8.6
119.08582	12.7
121.06494	6.1
121.10155	19.4
123.08070	5.9
123.11688	1.9
129.07008	4.1
130.07765	3.0
131.08577	47.8
133.10132	63.9
135.08052	15.1
135.11693	3.3
143.08568	6.8
145.06544	1.7
145.10132	27.4
147.08060	3.6
147.11656	9.6
149.06010	1.9
149.09625	11.7
149.13264	11.9
155.08501	2.0
158.10939	7.7
160.05096	7.7
161.09657	3.2
163.07581	2.2
163.11192	2.7
163.14848	2.3
173.09601	5.8
173.13268	34.9
191.07028	3.5
191.10689	15.3
191.14313	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-1,3-CYCLOHEXADIEN-1-YL)-
Peak:m/z	Relative Intensity
53.03952	1.6
55.01860	1.8
55.05511	5.2
57.03418	1.5
57.07071	2.2
65.03959	1.1
67.05521	6.8
69.03439	19.1
69.06733	1.2
69.07076	16.0
70.47283	2.1
70.47617	1.3
71.04994	2.2
79.05499	14.1
81.07063	9.9
83.04984	6.2
83.08617	3.0
84.13544	0.9
85.06537	3.4
89.47787	1.0
91.05491	24.5
93.07053	15.0
95.04974	3.6
95.08619	17.1
97.06546	6.0
98.21543	1.4
103.05473	4.2
105.07042	36.2
107.04951	2.7
107.08604	27.0
107.46299	1.2
109.06538	11.2
109.10143	3.0
111.08099	5.5
115.05470	3.2
116.06211	2.5
117.07036	8.7
118.54944	1.0
119.08592	36.1
121.06516	8.7
121.10155	25.0
121.43640	1.0
123.08067	6.3
129.07005	4.0
130.07770	3.5
131.08578	58.2
133.07452	1.2
133.10138	17.0
135.08069	24.9
135.11676	7.1
143.08531	5.4
145.10138	26.0
147.08025	2.0
147.11725	11.9
149.09637	59.4
149.13281	8.4
150.10402	1.9
156.09366	1.5
158.10938	10.4
160.05077	16.0
161.09645	3.6
162.08315	1.2
163.11240	2.9
163.14832	4.2
173.09637	1.7
173.13278	28.9
175.51067	1.2
175.91551	1.0
176.12019	3.1
191.10718	11.4
191.14323	100.0
192.07719	2.2
192.14719	1.2
194.98860	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03930	2.1
55.01868	3.7
55.05505	4.6
56.96297	1.8
56.96571	31.4
57.03446	5.4
57.07070	1.4
58.21814	1.1
59.04993	1.4
60.07167	0.9
61.02913	4.1
67.05503	8.2
69.03439	16.6
69.07070	9.6
71.04991	4.0
72.75395	1.0
73.02917	3.4
74.97599	2.9
79.05497	8.7
81.03407	3.6
81.07063	8.9
83.04983	4.5
83.08620	1.7
83.78648	1.0
83.97614	1.0
85.02915	10.2
85.06507	2.0
87.04466	3.2
91.05487	25.0
92.98643	1.2
93.07050	13.2
95.04977	11.0
95.08614	6.9
97.02914	6.2
97.06547	3.9
98.21525	2.3
98.97581	10.4
103.05482	3.9
105.07038	29.9
107.04929	3.9
107.08611	20.3
109.02873	1.4
109.06519	5.9
109.10168	4.1
110.97571	4.3
111.08072	2.5
111.51331	1.0
115.05476	3.2
116.06255	2.9
116.98622	3.4
117.07014	12.8
119.08591	18.9
121.06519	5.2
121.10153	16.1
122.06030	4.4
123.08064	3.7
126.53111	1.4
126.57281	1.0
127.03881	2.2
128.52882	1.6
128.98596	4.0
129.07011	6.3
130.07813	4.9
131.04939	1.5
131.08578	100.0
132.05595	1.5
132.08920	1.0
133.06473	2.2
133.10147	27.6
134.52881	1.9
135.08066	14.7
135.11699	3.9
135.53665	1.1
136.06203	2.4
137.53374	2.6
140.07063	18.1
141.07323	1.2
143.00151	2.2
143.08582	6.2
145.06491	2.2
145.10133	40.3
146.99612	1.9
147.08037	3.8
147.11716	8.3
149.05984	1.5
149.09636	26.8
149.13278	7.5
157.53052	1.4
158.10971	6.5
158.99745	1.0
160.05075	62.7
163.04018	1.4
163.07541	1.7
163.11235	5.5
163.14807	1.6
164.07095	1.7
170.53822	1.1
173.05919	1.0
173.09639	5.8
173.13286	22.7
174.57117	1.0
179.54503	5.0
180.04646	1.1
182.08212	1.4
188.54961	14.3
189.05078	1.3
191.03404	1.4
191.05379	1.7
191.07019	3.9
191.10678	25.1
191.14319	45.5
192.07706	11.7
196.02817	12.6
214.03883	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03929	2.4
55.01872	2.3
55.05519	8.5
57.03421	4.0
57.07079	3.4
62.21638	1.6
65.03930	1.7
67.05511	11.9
67.10381	1.3
69.03443	11.5
69.07085	8.6
69.81981	7.6
71.04988	5.0
77.72055	1.3
79.05499	11.7
81.07063	12.3
83.04999	7.3
83.08600	3.7
85.06534	3.1
91.04986	1.5
91.05497	21.6
93.07053	18.6
95.04981	7.5
95.08615	11.5
97.06540	9.9
98.21480	2.6
103.05458	4.7
105.07043	45.3
107.04946	2.3
107.08608	36.0
109.06532	15.1
109.10181	16.6
111.08075	2.4
115.05458	2.1
116.06230	2.0
117.07028	7.0
119.08593	23.7
121.06512	10.2
121.10154	24.2
123.08084	8.9
123.11718	2.1
129.07013	4.5
130.07884	1.6
131.04933	2.5
131.08583	42.0
133.06551	1.6
133.10144	100.0
135.08070	25.9
135.11728	6.6
136.08795	2.7
143.08563	5.9
144.09386	3.4
145.10141	23.1
147.11708	21.8
148.05212	1.6
149.09639	20.8
149.13277	12.9
150.10381	1.5
158.10916	13.2
160.05101	6.9
161.09647	3.3
163.07523	1.7
163.11168	3.6
163.14801	4.7
163.99252	1.3
169.79655	1.3
173.09474	1.5
173.13281	51.8
176.11967	2.5
191.06981	2.5
191.10698	4.8
191.14326	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03938	2.8
55.01857	2.6
55.05514	6.4
56.96560	2.3
57.07071	3.3
59.05008	1.4
65.03922	2.7
67.05511	35.7
69.03440	5.8
69.07083	10.5
69.38504	7.8
69.38924	2.6
71.04997	33.9
79.05083	1.1
79.05508	19.0
81.07070	19.1
83.04967	4.4
83.08611	4.7
85.06552	10.4
91.05486	29.4
93.07059	26.4
95.04984	14.8
95.08610	20.7
97.06540	13.6
98.21451	2.7
103.05484	5.7
104.87204	1.1
105.07043	51.7
107.04945	4.0
107.08608	69.9
109.06535	26.0
109.10167	94.3
110.10523	1.4
111.04562	1.3
111.08094	3.8
115.05433	3.3
116.06251	2.6
117.07016	8.7
119.06098	2.0
119.08606	19.9
121.06517	10.5
121.10157	66.5
123.08091	26.2
123.11729	2.8
129.07007	4.6
130.07759	2.9
131.04970	2.3
131.08582	60.9
133.06491	3.6
133.10152	38.2
135.04431	1.3
135.08067	70.4
135.11676	6.0
143.08548	8.4
144.09344	2.4
145.09015	2.0
145.10132	19.2
146.05960	1.2
147.08080	3.1
147.11708	23.6
148.08871	2.5
149.09628	15.9
149.13277	19.3
150.10425	2.9
157.10109	1.4
158.10918	11.8
161.09656	3.9
163.03795	1.4
163.07578	1.9
163.11215	6.0
163.14828	2.5
173.09668	2.7
173.13286	58.4
174.13524	1.6
176.08394	2.1
176.12035	2.0
191.03450	1.4
191.07091	5.9
191.10736	13.8
191.14326	100.0
191.17862	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.4
55.05507	6.4
57.03431	2.0
57.07090	2.1
61.50907	1.3
63.28287	1.3
67.05511	9.8
69.03433	9.7
69.07073	9.2
69.50074	10.0
71.04996	4.7
79.05499	9.5
81.07059	14.3
83.04996	6.7
83.08605	2.5
85.06557	2.5
91.05489	21.1
93.07050	17.1
95.04969	7.8
95.08611	23.9
97.06547	14.3
103.05482	4.5
105.07036	37.5
107.04971	5.1
107.08597	28.7
109.06511	6.1
109.10181	7.5
111.08116	3.4
115.05389	1.4
116.06279	1.3
117.07031	6.4
119.08598	18.6
121.06501	11.7
121.09329	2.1
121.10155	29.0
123.08092	8.1
129.07030	4.4
130.07776	1.7
131.04904	2.6
131.08575	41.5
132.54623	1.3
133.10141	100.0
135.08060	16.1
135.11726	7.1
143.08586	8.9
144.09319	2.5
145.10143	22.4
147.08020	3.5
147.11691	15.5
148.08867	2.8
149.09613	11.2
149.13264	15.6
158.10927	16.5
159.08051	2.0
160.05032	1.5
161.09616	2.4
163.11208	3.7
163.14825	8.7
173.09636	1.6
173.13275	56.2
174.13525	1.6
176.12077	1.9
191.06960	2.8
191.10753	7.3
191.14319	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.01872	1.3
55.05497	3.3
57.07057	1.6
67.05496	3.6
69.03427	7.6
69.07074	6.3
69.29505	4.5
69.29930	3.1
71.04982	2.0
79.05505	5.2
79.07254	0.8
81.07048	3.7
83.04561	0.9
83.04979	6.4
83.08627	1.9
84.91877	0.8
85.06541	2.4
90.11333	0.9
90.79245	0.9
91.05482	10.1
93.07051	8.6
95.04963	2.6
95.08619	5.4
97.06538	5.5
98.21486	1.5
103.05431	1.5
105.07038	21.1
107.04962	1.8
107.08604	33.7
109.06503	3.5
109.10175	4.5
111.07003	0.8
111.08093	1.3
115.05435	1.1
117.07026	3.7
119.08602	9.0
121.06499	5.0
121.10146	14.9
123.08072	3.8
123.11658	1.3
129.07004	2.6
130.07788	1.7
131.08586	22.2
133.06635	1.1
133.10143	62.0
135.08072	9.9
135.11650	3.0
142.39915	0.9
143.08577	5.0
144.09326	1.5
145.10144	12.3
147.11705	6.8
149.09669	5.6
149.13240	8.2
158.10913	8.8
159.08051	2.2
161.09631	3.6
163.11252	1.2
163.13196	0.9
163.14833	2.2
173.13283	33.1
176.11951	2.1
191.06961	1.6
191.10774	4.5
191.14323	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.01865	2.2
55.05518	6.8
57.03429	1.4
57.64672	1.6
64.04914	1.2
65.03925	1.9
66.69231	1.4
67.05234	1.3
67.05514	13.2
69.03435	9.9
69.07071	8.7
70.89040	2.8
70.89384	1.3
71.05000	12.7
79.05499	18.5
81.07072	12.1
83.04988	12.1
83.08620	2.7
85.06537	7.1
91.05492	23.4
93.07057	21.1
95.04979	6.2
95.08614	11.1
97.06552	8.5
103.05468	5.5
105.06322	2.1
105.07039	41.8
107.04964	12.1
107.08603	45.7
109.06531	11.7
109.10165	17.8
111.08099	1.4
116.06248	3.2
117.07026	15.0
119.08601	23.2
121.06519	16.9
121.10160	35.2
123.08072	12.3
123.11729	1.4
129.07014	6.5
130.07808	7.4
131.04947	4.6
131.07585	2.5
131.08575	42.5
133.06516	2.1
133.10143	57.0
135.04420	1.6
135.08064	23.1
135.11687	7.1
143.08595	8.3
144.09396	2.7
145.10139	58.8
147.08058	2.4
147.11713	16.9
148.08865	1.4
149.05977	1.5
149.09656	11.2
149.13292	11.1
155.08553	2.5
158.10884	9.6
159.08072	2.8
161.09663	2.9
161.82915	1.7
163.07588	2.4
163.11194	10.7
163.14758	2.8
173.09679	7.3
173.13290	38.0
191.07007	3.9
191.10738	24.8
191.14328	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03942	0.9
54.45311	0.8
55.01867	1.2
55.05501	3.4
57.03410	1.1
62.79009	0.8
65.03937	1.2
65.40188	0.9
67.05508	6.3
69.03085	1.2
69.03436	17.3
69.06783	0.7
69.07072	8.1
70.89567	2.0
70.89923	0.8
71.04993	1.4
79.05512	6.3
81.07061	7.3
83.04979	6.7
83.08613	2.3
85.06529	3.0
89.78094	0.8
91.05069	0.7
91.05489	9.2
93.07051	9.7
94.65443	0.9
95.04971	2.2
95.08611	19.3
97.06519	6.7
103.05447	1.4
105.07035	11.2
107.04957	2.1
107.08607	19.8
109.06525	12.5
109.10164	5.1
111.08056	1.1
115.05446	1.6
117.07008	1.9
119.08589	9.0
121.06506	5.6
121.10152	13.9
123.08075	6.2
129.06911	1.4
131.05016	0.8
131.08569	18.0
133.10139	19.3
135.08064	22.0
135.11700	7.6
136.08824	1.4
137.09627	1.1
143.03302	0.9
143.08565	5.9
144.09319	1.4
145.10121	10.7
147.11664	6.9
149.09634	14.7
149.13269	7.1
150.10397	2.7
158.10901	10.0
158.12106	1.2
161.09595	4.5
163.07484	1.5
163.11206	6.4
163.14841	4.5
173.13271	48.8
176.11995	4.5
176.13286	0.9
191.07050	1.2
191.10670	2.4
191.14316	100.0
192.14610	1.7
210.11021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1067
Annotation	Precocene I
Peak:m/z	Relative Intensity
52.61222	0.4
53.03952	1.4
55.01891	0.6
55.05522	1.0
56.96572	2.5
57.07085	0.7
65.03925	0.5
67.05513	1.0
69.03439	1.0
69.07068	4.4
69.84277	2.0
77.03922	0.8
79.05498	15.1
80.12300	0.3
81.03414	0.4
81.07072	2.0
83.04995	1.1
83.08662	0.4
91.05493	2.1
93.07053	2.1
95.04984	2.6
95.08624	1.3
95.64861	0.4
103.05470	0.9
105.04516	0.6
105.07040	2.8
107.04960	19.5
107.08607	2.7
109.06517	1.2
109.10176	1.8
117.07034	1.0
119.08610	1.4
121.06511	3.0
121.10147	2.8
123.08075	1.2
123.11708	1.3
123.96004	0.6
129.06979	0.4
131.04955	0.5
131.08580	2.8
132.96443	1.1
133.10132	2.6
135.04424	100.0
135.08018	2.9
135.11671	1.0
136.04778	1.7
141.96962	0.7
145.06494	0.7
145.10141	2.6
147.11720	0.9
148.08292	1.6
149.01266	1.1
149.05988	4.7
149.09607	1.4
149.13257	0.6
150.10413	0.4
152.74846	0.4
153.05441	1.8
157.08839	0.8
158.10921	1.1
159.59099	0.5
161.09636	0.5
163.11191	1.6
163.14761	0.5
173.06021	0.4
173.09467	0.4
173.13281	3.0
176.04837	0.4
176.07179	0.8
191.03395	0.9
191.06999	1.9
191.10677	23.7
191.14273	8.9
192.06570	0.4
192.17401	0.4
210.60080	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1261
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99067	1.2
55.01871	0.7
55.05510	1.4
56.58659	0.8
56.96579	3.8
57.07079	22.8
59.99124	4.7
62.49205	0.6
63.94054	0.6
67.05520	1.4
69.03423	0.8
69.07076	1.4
69.96817	1.5
69.97222	1.7
78.00160	36.8
79.05490	1.3
81.07050	1.7
83.04993	0.7
84.08154	0.9
86.09710	9.0
87.04457	1.0
91.05466	2.1
92.01720	0.8
92.05813	0.7
93.07041	1.6
95.04976	0.8
95.08598	1.2
102.25569	0.7
105.07031	2.6
106.07329	0.8
107.08578	1.9
109.10123	1.1
116.05305	0.8
117.06979	1.1
119.08596	0.8
121.06470	1.2
121.10178	1.6
123.95899	0.7
125.02514	0.8
130.06549	2.0
131.08589	2.0
131.30679	0.6
133.10138	1.5
134.06361	43.8
135.08064	1.3
135.11693	0.9
144.08148	1.2
145.10124	1.1
148.07927	3.8
149.02304	1.7
149.09633	0.7
158.01263	2.7
162.05478	1.2
163.11172	2.4
167.01878	1.0
172.01028	2.0
173.13295	1.4
180.51210	0.8
181.01579	2.0
190.12619	100.0
191.03334	0.6
191.10664	3.0
191.12807	1.4
191.14331	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	190.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
64.36624	0.3
69.03447	0.3
69.61375	1.7
79.05528	0.3
83.30643	0.3
91.05472	0.4
94.47134	0.2
98.20803	0.5
105.07018	0.7
109.10130	0.4
117.07034	0.3
118.28082	0.3
119.08595	0.4
121.08871	0.3
131.08643	0.4
132.08104	28.2
133.08862	1.0
133.10136	1.1
134.37672	0.2
135.08075	0.4
144.08058	0.8
145.10191	0.4
146.09663	10.8
147.10457	2.8
148.11186	0.9
149.09587	0.7
157.09686	0.3
160.11241	9.5
161.11980	0.5
173.13289	0.5
174.12820	1.1
175.13539	0.3
190.15926	100.0
191.10678	0.3
191.14342	1.2
191.16257	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
55.05498	0.3
56.96553	0.4
67.05483	0.4
69.03430	0.3
69.07047	0.4
70.28587	0.8
71.35692	0.2
79.05492	0.6
81.07046	0.6
83.04984	0.2
85.98550	0.2
91.05483	1.0
92.05816	0.3
93.07067	0.3
95.08637	0.5
95.90524	0.3
99.12315	0.3
103.05470	0.3
105.07018	0.9
106.07341	0.2
107.08572	0.8
108.05173	0.3
109.10155	0.3
117.05740	0.5
117.07034	0.4
118.40419	0.3
119.08568	0.3
120.08937	0.6
121.06510	0.5
121.10139	0.5
130.06520	0.5
130.07404	0.3
131.04971	0.3
131.08574	0.9
132.08093	29.9
133.08890	0.3
133.10092	0.8
134.10464	0.4
135.04485	0.3
135.08040	0.7
143.08551	0.4
144.08058	0.5
145.10132	0.8
146.09645	6.6
147.10420	1.8
147.11549	0.4
148.11162	0.5
149.02336	0.3
157.09689	0.3
160.11221	9.1
161.11945	0.4
162.10051	0.4
163.03329	0.3
173.13203	0.6
173.69508	0.3
174.12830	0.5
175.07162	0.3
175.13608	0.4
190.04391	0.9
190.15910	100.0
191.06924	0.5
191.10649	0.6
191.14282	2.0
191.16158	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.3
56.96344	0.3
56.96572	3.7
57.03435	0.3
57.07069	0.8
58.99853	0.9
59.08492	0.2
67.00373	0.2
69.03425	0.4
71.53344	0.4
71.95258	0.5
77.00893	0.5
79.22549	0.2
81.03424	1.0
81.07050	0.4
82.01463	0.3
83.48221	0.2
85.01429	0.2
85.02876	0.2
86.99347	0.3
89.32719	0.2
97.01404	0.5
97.02923	0.3
98.97591	11.8
100.02489	0.8
101.00908	1.2
103.02451	0.8
104.01942	0.3
111.02889	0.4
113.00880	0.2
115.02449	1.0
116.98632	9.6
118.03561	0.3
119.00210	0.3
119.01938	3.2
120.02016	0.9
121.01555	0.6
121.79343	0.2
129.04015	1.4
131.00174	0.4
131.01933	0.5
133.03459	0.9
134.99686	5.8
136.00002	0.2
137.02960	0.9
137.50032	0.2
139.02437	1.6
142.03523	1.5
144.05116	0.3
145.03477	1.5
147.01370	0.2
147.05037	0.6
148.05179	0.5
149.01047	1.8
151.51643	0.3
153.00705	0.7
157.03490	4.4
159.01530	0.4
159.04996	0.5
160.04584	0.6
161.03003	0.3
163.04453	0.2
167.01917	10.7
167.05606	0.3
167.59680	0.5
168.02119	0.4
168.05081	0.7
171.01411	0.2
173.06659	0.3
175.04567	0.7
177.00992	1.4
178.01053	0.4
180.05008	0.4
185.02974	100.0
186.03172	2.8
186.06104	0.2
186.97656	0.9
187.03363	0.3
187.47618	0.5
187.99272	0.6
190.03539	1.3
190.06178	0.6
190.08763	0.3
195.98212	1.6
196.48225	0.7
196.90994	0.2
196.98087	0.6
198.48471	0.3
199.04582	0.7
203.04025	16.9
204.04210	0.5
205.49211	0.3
208.04578	6.1
209.04861	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1076
Annotation	Australine
Peak:m/z	Relative Intensity
53.03949	2.2
55.01863	1.5
55.05512	2.3
56.01410	5.6
56.05048	1.2
56.96570	24.1
57.03434	4.8
58.06602	10.4
59.04998	1.7
59.81510	1.2
61.02918	1.1
63.86148	1.2
67.05490	5.3
68.99766	1.3
69.03437	57.5
69.07076	7.7
70.03793	1.1
70.06585	4.2
70.22558	1.0
71.04991	2.0
71.54568	1.5
71.60989	1.2
72.08158	1.2
72.93797	1.9
73.02919	3.0
74.06065	1.8
74.97616	1.7
79.05517	2.0
80.51701	1.4
81.03420	3.5
81.07059	3.5
82.06591	1.9
83.04977	4.0
84.04508	22.1
84.08139	2.6
85.02922	6.7
86.06078	100.0
86.09705	6.7
87.04472	15.4
87.10046	9.2
90.94839	1.6
91.05482	4.5
93.07036	2.4
94.04201	1.3
95.04980	3.0
95.08630	4.2
97.02914	5.9
98.06065	3.3
98.21086	1.6
98.97588	15.3
104.01316	1.4
104.07117	22.6
105.07007	1.5
106.06546	1.4
107.04965	12.6
107.08598	1.4
108.05298	7.4
109.02888	1.6
109.10174	10.1
110.97601	4.0
111.11746	1.4
112.03968	6.8
112.07613	8.3
112.99122	1.3
115.02340	1.4
116.04975	2.7
116.05773	1.5
116.07081	6.7
116.98636	6.9
117.07013	1.8
118.06548	2.5
119.01820	3.8
119.08645	1.6
121.02944	5.7
126.12807	1.2
128.98602	3.9
130.05034	13.3
130.06523	2.5
130.08644	1.5
130.96376	2.0
131.00204	1.9
131.01836	1.8
131.04915	2.1
131.08577	2.2
133.10500	2.3
134.06044	1.8
134.09622	1.6
134.99663	2.2
135.04445	2.4
136.11194	2.6
137.05997	2.6
137.09607	2.1
140.25896	1.1
143.01755	1.2
144.04495	2.6
144.08102	3.8
144.10242	2.5
144.12144	1.7
144.13893	2.3
145.06554	1.2
145.07637	3.2
146.06021	1.6
146.99678	3.8
147.06729	1.2
148.97438	2.2
149.01237	4.0
154.05052	1.4
154.08649	31.1
154.12271	9.5
155.10684	2.2
158.99724	2.2
162.05470	13.9
167.02148	2.6
167.97267	1.3
168.02475	3.0
170.99664	1.7
172.04034	1.6
172.06230	1.3
172.07529	2.6
172.09708	48.1
172.12001	1.9
172.13277	7.5
177.00751	2.6
177.03081	2.2
185.01450	2.1
185.02956	8.6
188.97176	1.6
190.04912	9.8
190.08687	5.2
190.10733	3.8
190.12236	2.0
190.14415	4.4
191.06906	1.8
191.10703	2.0
191.14351	4.0
203.04085	1.8
206.98123	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
54.07908	1.2
54.27615	1.2
55.05501	1.8
56.96561	2.2
57.03431	1.5
67.05494	1.5
69.03433	9.3
69.07058	2.7
69.69672	9.3
79.05486	2.4
81.03394	2.1
81.07058	2.8
83.04987	2.3
85.02899	2.3
91.05482	11.0
93.07042	5.8
95.04958	4.2
95.08569	1.4
99.04442	1.6
103.17924	1.5
105.07048	23.2
107.04974	2.6
107.08594	5.7
109.06521	2.4
115.05459	3.7
117.07018	8.0
117.53796	1.2
119.08582	35.0
120.08097	1.6
121.06502	1.5
121.10161	2.0
128.06236	9.2
129.05438	1.7
129.07007	8.9
130.07773	5.6
131.08592	12.2
133.06514	3.3
133.10147	16.0
135.08075	2.1
141.06998	9.7
142.07799	2.8
143.08585	14.8
144.09344	3.6
145.06503	2.7
145.10138	18.4
146.07260	1.5
146.10904	2.6
147.06375	2.1
147.08060	15.4
147.11702	23.2
155.08557	4.2
156.09357	45.1
159.08043	8.8
159.11723	10.4
160.05180	8.7
160.08824	3.6
161.06013	9.5
161.09604	6.6
161.13231	8.4
171.08072	1.8
171.11699	57.6
174.06790	2.4
174.10428	13.0
175.85970	1.4
189.09164	14.9
189.12753	100.0
189.16261	3.4
190.13063	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25495	0.9
55.05494	2.4
69.03444	7.1
69.60166	2.8
69.60583	5.7
81.07035	1.4
83.05008	1.9
91.05496	10.0
91.61495	1.2
93.07043	3.4
105.07039	18.7
107.08604	4.1
112.97594	1.2
113.06153	1.1
115.05502	1.9
117.07004	5.6
119.08590	24.4
121.10130	2.3
128.06226	4.9
129.06995	7.8
130.07773	4.5
131.08582	11.7
133.06474	2.7
133.10152	11.5
141.07002	9.0
142.07761	1.8
143.08565	10.5
144.09337	2.0
145.06487	1.9
145.10149	19.3
146.07332	1.6
146.10878	1.6
147.08060	12.2
147.11703	24.6
154.06783	1.1
155.08589	3.7
156.09364	56.0
159.08017	4.9
159.11729	11.7
160.00217	1.1
160.05193	1.3
160.08838	2.1
161.05984	2.4
161.09628	4.3
161.13303	6.5
171.11710	65.2
171.24007	1.1
172.11932	1.3
174.06766	4.1
174.10426	13.6
181.54913	1.2
189.09175	8.5
189.12769	100.0
190.13095	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
61.03225	0.5
66.92338	0.5
70.71463	1.6
88.91288	0.6
91.05477	3.5
99.11686	0.4
115.05462	4.9
117.05769	1.7
117.07013	5.1
118.06553	76.8
119.06889	1.0
126.00357	0.5
128.04974	0.6
132.08136	0.7
142.06532	6.8
143.07324	13.5
144.04440	0.7
144.08099	25.3
145.06499	0.9
146.06023	100.0
147.06355	1.8
155.06041	1.5
160.07574	1.2
170.06027	10.5
188.07083	20.4
189.07407	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0708
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
63.34335	0.4
64.03274	0.5
68.53896	0.5
71.34874	0.5
71.35223	0.9
91.05482	5.5
103.05468	0.6
115.05483	6.2
117.05794	2.2
117.07034	5.3
118.06555	74.5
119.06883	1.0
132.08134	0.9
142.06537	5.0
143.07327	12.9
144.04373	0.7
144.08107	24.9
145.06532	0.8
145.08536	0.4
146.06024	100.0
147.06416	1.3
155.06046	0.8
160.07582	1.0
170.06026	8.9
175.76071	0.5
188.07088	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.7
55.05503	2.5
64.38237	1.4
65.95985	1.3
68.52827	1.2
69.03439	9.2
69.07069	1.4
69.10750	1.3
69.19102	2.9
69.19515	10.3
78.54652	1.1
81.07053	1.5
83.04979	2.9
85.02982	1.8
91.05485	14.8
93.07029	2.9
94.84781	1.3
95.04981	1.7
98.34098	1.3
99.04412	2.7
103.05475	6.9
105.07045	16.4
107.04961	1.6
107.08598	2.5
108.40536	1.4
115.05466	16.7
117.07026	31.8
117.32774	1.3
119.04980	1.6
119.08591	25.0
127.05453	2.3
128.06226	8.0
129.06995	12.0
130.07791	3.9
131.04887	1.6
131.08601	12.1
131.71408	1.1
133.06496	3.9
133.10146	8.0
141.06972	8.3
142.07777	1.6
143.04944	9.1
143.08586	8.6
144.09320	2.8
145.06493	43.9
145.10136	18.7
146.07317	1.4
146.10953	1.6
147.06424	1.3
147.08058	11.2
147.11699	19.9
155.06053	13.8
155.08574	3.4
156.09361	62.1
157.06517	5.3
159.08070	6.0
159.11717	16.7
160.08820	2.4
161.06006	8.4
161.09634	7.3
161.13295	5.0
166.34612	1.3
171.04427	8.5
171.11707	70.2
174.06790	15.8
174.10443	11.4
189.05475	12.4
189.09131	24.1
189.12753	100.0
189.16269	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05475	1.4
69.03438	9.3
69.23190	14.9
74.13288	1.4
78.97990	1.3
79.81255	1.3
81.07090	2.1
83.04986	2.9
91.05460	7.2
93.07064	1.7
95.37829	1.3
105.07042	15.4
107.08629	4.0
115.05471	1.7
117.07007	4.9
119.08594	21.5
123.35083	1.5
128.06209	4.8
129.06996	5.9
130.07767	5.5
131.08586	9.9
133.06503	4.0
133.10126	6.3
141.06995	10.5
142.07805	1.6
143.08582	6.9
144.09369	2.8
145.10149	18.2
147.08075	10.2
147.11711	15.0
155.08517	4.0
156.09364	54.1
159.08072	8.7
159.11699	14.3
161.09602	4.1
161.13289	3.9
171.11705	66.2
172.12033	2.3
174.10371	10.1
181.93329	1.5
186.04080	1.8
189.09122	4.2
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	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03949	1.1
55.01868	0.8
55.05514	2.2
56.96593	0.8
57.03436	1.0
57.07084	3.5
59.34977	0.5
62.12101	0.5
65.03940	0.7
67.05507	9.1
69.03418	2.5
69.07079	3.6
69.12481	0.6
69.39806	2.0
69.40229	2.2
69.95578	0.5
73.33068	0.6
74.54177	0.6
79.05503	7.6
81.03417	3.4
81.07053	6.6
83.04962	0.6
83.08626	1.8
85.02924	1.0
85.08504	0.8
87.04472	0.7
88.02225	5.9
91.05486	23.3
93.07045	5.7
95.04988	2.4
95.08601	3.2
103.05449	1.0
105.07041	24.9
107.04964	1.1
107.08612	3.1
109.10164	0.7
115.05424	3.5
116.06252	2.3
116.07011	0.6
117.07025	24.8
119.08587	20.8
119.97329	0.8
121.10160	1.9
127.35715	0.5
128.06210	2.4
128.07079	0.8
128.97852	1.1
129.07018	11.0
130.07788	7.6
131.04921	1.3
131.08574	53.1
133.10129	3.7
141.07013	3.1
142.07776	4.7
143.08571	8.5
144.05708	0.8
144.09354	7.7
145.06479	2.7
145.10130	100.0
146.10577	0.8
147.68716	0.6
149.77496	0.5
153.07057	0.9
154.07745	3.6
155.03362	0.6
157.06480	0.9
157.10141	7.8
158.07246	2.2
158.11005	2.8
159.08081	2.3
159.11694	28.7
169.10094	3.9
170.97517	0.6
172.08842	2.4
172.12477	3.7
173.00797	0.7
185.13292	0.8
187.04120	0.8
187.05954	1.1
187.07661	0.9
187.11246	14.1
187.14828	80.0
188.15161	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.133
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03922	1.6
55.05518	15.2
57.03428	2.8
67.05509	53.2
69.03421	4.9
69.06791	1.6
69.07079	20.0
69.52273	1.8
70.79282	4.9
71.04992	15.4
79.05497	12.9
81.03429	2.9
81.07065	48.7
83.05002	13.4
83.08591	3.2
84.04476	1.8
85.06543	9.1
88.02203	2.1
91.05488	40.9
93.07061	17.8
95.04950	2.4
95.08620	5.2
97.06554	2.8
98.97581	4.5
99.04455	4.4
99.08075	2.3
105.07038	47.7
107.08607	52.6
109.06513	7.6
109.10167	88.1
113.06026	4.4
123.11701	9.4
127.07555	3.1
131.08580	6.5
133.10144	100.0
138.46948	1.7
145.06558	2.2
145.10126	5.0
151.11205	48.9
158.99547	2.2
159.08025	4.4
159.11635	2.7
169.12276	4.9
187.07584	5.6
187.11212	3.2
187.14786	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	187.133
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
50.74471	2.5
51.79411	2.1
55.01871	3.9
55.05512	12.3
57.03432	4.9
57.07070	4.4
59.04989	3.8
65.03940	2.9
66.99525	2.4
67.05180	3.0
67.05511	40.7
69.03439	14.8
69.07065	8.9
69.77048	12.9
71.05003	20.2
79.05499	16.9
81.03429	7.1
81.07063	100.0
83.04996	4.7
83.08620	3.7
84.04480	2.6
85.06552	21.2
88.02207	8.9
91.04977	2.7
91.05493	37.5
93.07056	49.2
95.04984	7.0
95.08616	40.5
97.06552	3.4
98.21414	2.6
98.97569	3.9
103.05470	3.4
105.07040	35.2
107.08598	18.3
109.06523	5.2
109.10163	21.5
111.08090	4.8
113.05966	3.1
115.05483	6.0
117.07034	16.5
118.06546	4.0
119.08597	11.3
123.11724	53.7
127.07561	3.1
128.06207	4.4
128.73912	2.5
129.07037	14.3
130.07813	5.8
131.04938	2.9
131.08582	31.5
133.10141	38.1
133.53473	2.3
141.07024	4.3
142.07664	2.5
143.08568	8.0
144.05646	4.2
144.09360	16.0
145.06482	18.6
145.10152	32.3
146.06027	6.2
146.07179	2.5
151.10036	2.1
151.11206	42.5
154.07759	6.9
157.06528	3.4
157.10167	4.7
158.07300	9.5
159.08095	18.5
159.11713	41.7
169.10114	11.5
169.12267	8.7
172.08855	22.7
187.06117	2.7
187.07576	14.8
187.11195	99.6
187.14806	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	187.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01874	0.5
55.05516	2.3
56.96558	1.1
57.03426	0.6
57.07070	0.6
61.01133	0.4
65.03918	0.3
67.05508	6.8
69.03418	1.0
69.07060	1.0
69.49070	2.0
71.04997	6.1
73.01133	1.1
76.18172	0.3
79.05502	3.1
81.03402	1.3
81.07060	7.2
83.04948	0.6
83.08622	0.7
84.04488	0.5
85.02889	0.6
85.06549	9.4
85.67406	0.3
88.02224	1.7
91.05486	7.2
93.07062	1.6
95.04971	0.5
95.08615	0.7
95.92548	0.3
97.06525	0.6
98.21575	0.4
98.97595	0.5
103.05478	0.8
105.07036	11.1
107.04929	0.3
107.08613	3.4
109.02795	0.4
109.06512	0.8
109.10175	5.2
110.62619	0.3
115.05415	1.7
116.06248	0.6
117.07037	4.8
118.07974	0.3
119.08592	11.3
121.06515	0.4
123.11697	0.4
128.06206	1.9
128.97862	0.5
129.07014	12.6
130.07768	1.3
131.01291	0.4
131.04901	0.5
131.08574	9.6
133.10147	6.7
141.07022	1.1
142.07796	1.1
143.07526	0.4
143.08566	2.3
144.05699	1.3
144.09349	20.6
145.06467	1.5
145.10167	2.8
146.07230	0.4
147.07948	0.3
147.24985	0.4
151.11172	2.6
153.07069	0.4
154.07779	1.3
157.06514	2.1
157.10097	2.1
158.07246	0.9
159.04436	0.4
159.07011	0.4
159.08104	3.7
159.11705	28.7
162.95805	0.4
169.05075	0.4
169.10159	2.8
169.12251	0.6
171.07993	0.6
172.05283	0.6
172.08833	11.7
186.10359	0.7
187.03871	1.1
187.07722	3.9
187.11189	100.0
188.11514	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1174
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.03933	8.5
55.01873	4.8
55.05270	3.1
55.05517	46.5
56.05035	2.4
56.05829	2.2
56.96557	7.5
57.03426	4.8
57.07063	2.9
60.95842	2.7
63.08173	1.9
64.31398	2.2
66.73521	1.8
67.05507	27.2
67.86278	2.1
69.03430	18.3
69.07076	14.1
70.57562	5.5
71.04993	11.4
71.87806	1.9
72.08125	5.7
72.12017	2.1
79.05500	73.4
81.03419	3.9
81.07068	50.4
83.04971	7.8
83.08620	4.0
84.04491	4.9
84.08128	2.1
85.01134	88.3
85.02906	5.5
85.06527	7.5
86.09719	19.1
87.04472	3.4
91.05485	35.3
93.07054	100.0
94.07369	2.8
95.04987	19.1
95.08607	13.7
97.02894	14.4
97.06534	17.9
97.10186	2.9
98.97578	4.7
99.04485	5.0
99.08081	3.9
102.96900	13.5
105.04526	3.5
105.07054	12.7
107.04948	8.2
107.08597	16.4
109.06538	3.8
109.10168	6.4
110.03651	2.7
111.04442	5.0
111.08079	4.9
113.04216	4.0
113.06020	17.2
115.05477	2.8
116.06226	4.0
116.98603	3.5
119.01955	5.1
119.08626	2.9
120.02056	4.0
120.97889	13.3
121.00794	3.2
121.06519	68.5
121.10148	73.3
123.08052	4.8
123.11724	6.9
125.02336	2.6
125.06012	17.3
125.09602	5.0
126.05496	3.1
126.12698	2.4
128.06226	5.7
129.07010	10.2
131.07600	4.1
131.08574	81.5
138.98933	7.3
139.01826	2.0
139.07513	2.5
139.09503	4.5
139.11133	10.3
140.07028	3.3
141.06947	2.5
142.07751	7.4
143.01907	5.4
143.08551	9.3
149.09631	81.5
152.06210	2.2
153.05473	8.3
154.06294	3.7
154.50612	2.5
155.08549	3.9
156.09346	2.5
157.06398	2.7
157.10132	9.1
158.08157	2.5
161.02988	6.3
163.01869	2.8
167.10666	11.9
167.14432	2.0
170.10916	7.4
181.02856	9.0
185.04591	4.1
185.09592	5.0
185.10870	3.2
185.13292	18.8
185.15259	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	185.1174
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
50.12580	1.2
53.03968	1.7
55.01666	1.2
55.01877	13.0
55.05516	37.1
56.96561	3.5
57.03431	2.6
62.90488	1.2
65.03917	1.4
65.84415	1.1
67.05511	11.2
69.03438	12.4
69.07076	63.7
70.04534	1.1
70.06598	1.5
71.04987	2.8
71.47215	1.9
79.05504	11.9
81.06592	1.4
81.07063	19.6
83.04989	4.5
84.08119	1.6
85.02899	2.5
85.06537	2.1
87.04487	5.6
91.05485	16.9
93.07057	56.3
95.04959	11.6
95.08633	5.7
97.06532	9.5
97.10187	2.4
98.97569	6.3
99.04459	1.9
102.96885	5.6
103.18546	1.2
105.07028	3.4
107.08629	8.4
109.02866	1.0
109.06516	1.7
109.49436	1.1
110.97615	1.2
111.04476	1.1
111.08103	2.4
113.06020	100.0
114.05605	1.1
115.03942	7.3
116.98592	2.4
119.01878	1.3
120.02008	1.2
120.97899	3.2
121.00793	1.5
121.10162	27.6
123.04388	1.6
123.08111	1.3
125.06008	41.7
125.09626	1.3
129.07008	3.2
130.06544	1.3
131.08560	6.5
135.96870	1.1
139.03925	2.7
139.07553	1.3
139.11192	36.4
142.07782	4.3
143.08571	1.7
149.09663	8.4
153.05496	4.6
154.06258	1.7
157.10165	3.4
158.99707	1.6
163.01884	2.3
167.10693	27.3
170.10957	1.6
181.02901	2.3
185.09496	1.9
185.11734	5.5
185.13248	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	185.1174
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.03946	9.8
55.01872	8.0
55.05515	38.3
56.96558	7.2
57.03429	7.4
57.07063	4.4
57.24978	2.3
67.05515	18.5
69.03450	15.4
69.07066	11.2
70.06596	3.1
71.04993	10.7
71.21863	3.7
72.08162	4.9
79.05499	73.1
81.07066	43.8
83.04983	7.0
83.08622	4.1
85.01135	100.0
85.06577	6.5
86.09722	21.5
91.05494	32.8
93.07050	82.7
95.04967	15.3
95.08601	12.5
97.02895	11.4
97.06541	20.1
97.10189	3.5
98.97578	3.7
99.04469	4.6
99.08070	3.7
100.72684	2.4
101.00883	5.1
102.96880	16.9
103.05466	3.0
105.07047	10.9
107.04938	6.9
107.08583	17.4
109.06490	3.8
109.10136	5.5
111.04469	8.8
111.08078	7.1
113.04243	5.5
113.06017	16.9
116.06238	2.6
119.01929	5.4
119.08563	3.1
120.02045	3.3
120.97904	15.3
121.00799	4.6
121.06516	55.2
121.10152	64.0
123.08051	5.0
123.11709	5.5
125.05979	22.9
125.09653	8.1
126.05540	3.9
128.06194	4.5
129.07036	14.1
131.08578	65.9
138.98924	9.3
139.01830	4.0
139.11182	8.9
140.07083	3.0
142.07829	5.8
143.01898	8.6
143.08560	11.3
149.09636	73.2
153.05489	8.9
155.08649	4.1
157.10153	11.9
161.02965	9.0
163.01862	5.3
167.10655	9.7
170.07262	3.4
170.10918	11.6
181.02878	7.8
185.04501	5.6
185.07941	5.0
185.09589	7.5
185.13268	23.8
191.24394	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	185.081
Annotation	2,4,6-Trimethoxyphenol
Peak:m/z	Relative Intensity
51.02374	0.5
53.03972	0.5
55.01866	1.0
55.05510	1.9
56.96566	2.8
57.03432	1.2
57.07080	0.5
59.05008	0.8
60.95851	0.4
65.03941	2.2
67.05508	2.8
68.99788	1.9
69.03445	1.0
69.07068	1.8
70.06592	1.4
71.05002	4.8
71.55189	0.6
72.08155	0.7
73.02912	0.4
75.04485	0.9
78.83864	0.5
79.01456	0.4
79.01847	2.0
79.05504	3.0
81.07055	5.5
82.04208	2.6
83.04988	1.4
84.08169	0.6
85.02918	1.6
86.09708	1.8
91.05487	1.8
92.62366	0.4
93.03398	1.4
93.07069	2.5
95.01339	8.7
95.04972	2.4
95.08595	2.0
95.63935	0.4
97.02901	0.8
97.06527	1.5
97.10161	0.6
98.97594	1.7
99.04465	1.5
101.00838	0.5
101.06022	0.4
102.96882	2.6
105.07024	1.5
107.01330	0.6
107.04948	0.8
107.08598	3.2
109.02895	1.1
109.06539	1.3
109.10188	0.4
110.03672	30.2
111.04456	8.1
111.08117	1.0
112.07629	0.5
114.05569	0.7
116.98611	0.8
119.01900	0.7
120.02037	1.0
120.97948	2.1
121.00803	0.4
121.03943	0.5
121.10165	8.3
123.00805	0.5
123.04463	2.6
123.08088	0.8
123.11754	2.0
124.05220	0.4
125.06001	80.2
126.05511	0.7
126.06367	1.1
127.03929	5.5
128.98602	0.7
129.07042	0.4
135.04440	0.4
138.03156	1.7
138.98961	1.2
139.01817	0.8
139.03909	22.6
139.07588	0.5
139.09557	0.8
139.11200	3.4
140.04782	0.9
140.07097	0.5
141.05495	0.7
142.06270	0.7
142.07796	0.9
143.08562	0.9
148.05753	0.7
149.09628	1.7
153.05476	100.0
154.06265	38.4
155.03401	3.9
155.06946	1.4
155.08490	0.4
156.04189	0.9
157.08786	0.6
157.10161	1.0
163.01828	2.4
167.10719	1.5
169.05028	0.7
170.05766	6.8
170.10846	0.7
181.02928	2.4
185.04594	0.9
185.08122	26.4
185.09541	1.3
185.11717	1.0
185.13234	0.7
186.08409	0.5
197.01157	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.081
Annotation	3-Methoxy-4-hydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
53.03951	0.7
55.01878	0.7
55.05506	1.5
56.96558	1.4
57.57430	0.5
59.04962	0.5
65.03931	2.2
67.05496	1.8
68.99782	1.8
70.06575	0.7
70.86451	1.3
72.08167	1.0
75.04478	1.0
79.01847	2.1
79.05485	1.2
81.03426	1.0
81.07040	1.4
82.04192	1.7
83.04980	1.0
84.53329	0.5
86.09709	1.8
91.05476	1.0
93.03408	1.7
93.07044	1.5
95.01341	9.4
95.04970	2.5
95.99883	0.5
97.02931	0.6
97.06508	0.9
98.97598	3.0
99.04453	1.0
102.96885	1.8
107.08600	2.3
109.02875	1.0
109.06513	0.5
110.03671	31.0
111.04453	7.2
111.08115	0.6
116.98654	0.7
120.02027	1.0
120.97907	1.1
121.00809	0.6
121.10152	1.0
123.04456	2.3
125.06002	82.8
126.06355	1.4
127.03918	5.8
127.06354	0.5
135.04453	1.2
138.03090	1.8
139.03917	21.3
139.11276	0.7
140.04726	0.8
142.06291	0.6
149.09651	0.9
153.05478	100.0
154.06267	39.6
155.03412	3.2
155.07014	1.4
156.04193	0.7
157.08591	0.7
158.99741	0.7
163.01854	0.7
166.82094	0.5
170.05769	6.4
173.65636	0.5
185.08125	25.1
185.13368	0.8
186.79350	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.097
Annotation	NORMETANEPHRINE
Peak:m/z	Relative Intensity
55.05515	1.6
56.96568	0.4
64.33848	0.4
65.16662	0.5
66.19503	0.4
67.05502	1.4
68.05029	2.1
69.03445	0.5
69.07065	0.8
69.86171	1.2
69.86584	1.2
70.06591	0.6
70.48143	0.4
71.05006	0.5
72.08171	0.9
74.09570	0.4
79.05503	2.9
80.05040	0.6
81.05817	1.5
81.07059	2.8
82.02959	0.5
82.06596	2.1
82.07392	0.6
84.04522	0.9
85.55706	0.5
86.06122	0.7
86.09733	0.9
87.04465	0.7
91.05499	1.3
93.07044	3.2
94.06591	0.7
95.04955	0.8
95.08621	2.9
96.04510	3.0
96.05084	0.5
96.08137	6.9
96.68579	0.4
97.05299	2.1
97.06549	1.0
98.06067	0.9
101.00920	1.4
101.95039	2.5
106.06563	1.5
107.04997	0.6
107.07360	0.5
108.08147	0.9
110.03678	0.9
110.06051	8.5
110.09698	3.9
119.01940	2.7
119.96075	0.7
120.08101	1.7
121.06520	2.5
122.09682	2.4
123.06827	0.5
123.08081	1.3
124.07604	100.0
125.00008	0.6
125.06051	2.8
125.06831	0.4
125.07948	0.6
126.01129	0.5
137.03011	0.9
138.09155	26.5
139.03864	0.7
139.07588	0.5
143.01901	0.9
148.07602	0.7
149.05983	1.7
152.66121	0.4
153.05507	3.0
154.04991	0.5
154.06302	1.8
156.10237	1.2
161.02948	0.8
166.04988	0.5
166.08650	15.4
173.27538	0.5
184.07553	1.0
184.09709	28.3
184.13269	0.9
198.75868	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	1.5
57.03437	1.0
61.02936	1.2
69.03429	0.7
70.54137	1.2
70.54523	1.0
73.02915	1.2
81.03424	0.8
82.99840	4.9
85.02911	1.9
91.05444	0.6
97.02919	1.0
98.21516	0.7
98.97587	1.3
100.02466	0.8
101.00891	49.6
102.00967	1.8
102.02281	1.2
103.00676	0.6
115.00639	1.4
116.98637	0.8
119.01933	100.0
120.02043	2.8
121.02448	0.6
124.02467	2.9
131.01904	1.1
132.09651	0.6
133.01642	3.6
133.03426	0.9
136.07590	0.8
137.02966	16.8
138.09149	1.1
142.03516	21.0
143.01915	1.8
143.03677	1.0
155.01952	0.8
156.02155	0.8
156.03229	3.4
157.01689	0.8
160.04601	2.8
161.02974	10.4
162.03311	0.7
166.08669	1.5
173.03009	0.6
179.02414	0.8
179.04008	9.4
184.04549	0.9
184.07355	0.6
184.09703	2.1
186.03177	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0731
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05031	1.8
56.96556	2.0
60.07882	1.3
60.08166	18.7
60.95124	0.9
68.05019	1.7
70.06599	0.9
71.07378	13.0
71.55314	1.2
71.95254	2.6
72.08148	2.3
72.38598	0.9
84.04502	1.7
85.02856	0.8
86.09712	100.0
87.10040	1.0
96.04467	1.5
98.98473	18.2
101.95037	49.7
101.97220	1.0
102.96900	4.3
104.10727	3.3
106.03686	0.8
106.06534	0.9
110.06003	1.0
110.09686	3.9
116.39437	0.8
117.00669	0.7
119.01892	0.9
119.96077	23.0
119.98227	1.0
120.02112	1.2
120.97884	2.7
124.07587	1.2
125.00011	77.3
125.08357	0.7
125.15881	0.7
136.07520	0.9
137.97121	15.3
138.05522	1.0
138.09140	10.2
138.98940	2.2
142.97646	2.5
143.03627	1.2
155.98174	4.3
156.10223	2.3
160.98717	6.3
161.04677	0.9
166.02618	1.1
166.08717	1.3
178.99779	2.3
179.05846	0.9
184.07356	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	183.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88090	0.7
53.03939	3.3
55.05519	26.1
57.03446	1.9
57.07076	2.3
59.05006	5.3
61.76308	0.8
65.03957	1.4
65.99139	0.8
67.05512	37.3
69.03443	7.3
69.07079	8.5
69.60782	2.7
69.61213	2.6
71.05006	8.3
77.03916	1.2
79.05496	11.3
81.07066	100.0
83.04982	2.6
83.08628	14.3
85.06538	9.8
87.05617	0.9
91.04975	1.3
91.05496	14.9
93.07055	9.1
95.04982	5.3
95.08617	21.2
97.06538	2.1
98.20770	1.9
98.98479	2.0
99.04509	1.3
99.08102	4.7
100.97251	1.0
105.03404	2.0
105.07044	30.3
107.08604	9.7
109.06533	3.8
109.08499	1.0
109.10172	1.7
111.08109	1.1
113.05994	1.7
119.08602	7.2
121.10158	18.1
123.04464	4.2
123.05238	0.8
123.08083	3.1
123.11720	89.0
125.47052	0.8
127.07534	0.8
137.07941	2.1
137.09715	0.9
137.13274	8.2
138.09154	0.8
139.11183	2.8
140.04654	1.8
147.11703	36.2
165.12784	19.5
175.12001	0.9
183.10126	1.7
183.11671	1.2
183.13881	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	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00652	0.3
67.81291	0.2
68.54102	0.3
69.90762	0.2
72.08165	0.7
72.41628	0.2
79.63771	0.3
82.01433	0.5
82.99847	5.2
84.04511	0.6
84.50551	0.3
86.52938	0.2
99.69884	0.2
101.00890	48.5
101.97861	0.2
102.01003	0.8
110.09684	0.3
111.00429	0.3
115.02433	0.2
118.03517	0.3
119.01930	100.0
120.02018	2.3
124.02447	3.4
133.03537	0.3
137.02962	18.8
138.03046	0.6
138.09155	1.0
142.03511	22.8
143.01900	0.7
143.03621	1.0
156.10205	0.6
157.03120	0.2
160.04578	4.1
161.02968	9.5
161.04434	0.3
165.05148	0.5
179.04018	9.6
184.04727	0.4
184.09715	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59965	0.2
64.63551	0.2
66.84965	0.2
69.86637	1.2
82.01441	0.4
82.99846	5.6
98.20685	0.3
100.02489	1.3
101.00889	50.5
111.00434	0.4
118.03508	1.2
119.01929	100.0
121.02375	0.4
124.02452	4.2
126.73494	0.2
129.24950	0.2
136.04541	0.5
137.02963	18.4
142.03506	34.4
143.01900	0.6
159.05081	0.3
160.04573	12.9
161.02968	8.9
165.05089	0.8
177.00977	0.4
178.05579	1.6
179.04013	8.9
183.06206	0.3
184.04568	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1382
Annotation	Chrysanthemyl acetate
Peak:m/z	Relative Intensity
51.88090	0.7
53.03939	3.3
55.05519	26.1
57.03446	1.9
57.07076	2.3
59.05006	5.3
61.76308	0.8
65.03957	1.4
65.99139	0.8
67.05512	37.3
69.03443	7.3
69.07079	8.5
69.60782	2.7
69.61213	2.6
71.05006	8.3
77.03916	1.2
79.05496	11.3
81.07066	100.0
83.04982	2.6
83.08628	14.3
85.06538	9.8
87.05617	0.9
91.04975	1.3
91.05496	14.9
93.07055	9.1
95.04982	5.3
95.08617	21.2
97.06538	2.1
98.20770	1.9
98.98479	2.0
99.04509	1.3
99.08102	4.7
100.97251	1.0
105.03404	2.0
105.07044	30.3
107.08604	9.7
109.06533	3.8
109.08499	1.0
109.10172	1.7
111.08109	1.1
113.05994	1.7
119.08602	7.2
121.10158	18.1
123.04464	4.2
123.05238	0.8
123.08083	3.1
123.11720	89.0
125.47052	0.8
127.07534	0.8
137.07941	2.1
137.09715	0.9
137.13274	8.2
138.09154	0.8
139.11183	2.8
140.04654	1.8
147.11703	36.2
165.12784	19.5
175.12001	0.9
183.10126	1.7
183.11671	1.2
183.13881	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	183.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.4
55.01876	13.7
56.96566	9.4
57.03444	39.1
58.99588	1.4
58.99866	2.8
61.02646	1.9
61.02932	26.1
62.03226	1.5
67.73510	1.3
67.73853	1.5
68.98293	2.9
69.03085	2.6
69.03439	39.5
69.91661	6.8
70.99860	5.1
71.01350	4.0
71.04989	5.8
73.02926	52.7
74.03255	2.1
74.03671	1.4
75.01919	1.9
77.00901	2.5
79.02159	2.3
81.01895	3.8
81.03423	16.7
82.02695	1.7
82.99837	11.3
85.02911	49.7
86.03690	2.4
86.09711	1.8
87.01917	4.1
87.04471	2.6
88.02691	5.2
89.00908	1.7
90.61364	1.4
91.05464	1.3
92.05788	2.3
93.01910	12.0
93.51951	2.1
94.02131	2.0
94.02680	11.2
94.99841	3.0
96.02431	6.1
96.05276	1.6
97.01418	3.4
97.02285	2.6
97.02908	46.7
98.03086	1.7
98.21126	3.7
98.97591	5.3
99.01889	3.3
99.04443	6.8
100.00124	1.7
100.02679	7.4
100.97942	1.3
101.00893	77.8
101.02387	2.7
102.00954	2.8
102.01669	1.8
102.02422	18.8
102.52511	3.8
103.00626	1.8
103.02418	3.6
103.03181	3.1
103.03902	2.0
105.01932	1.8
106.02682	5.3
107.03509	1.6
108.01743	1.3
108.02415	8.2
109.02818	7.8
110.97581	2.2
111.02165	1.9
111.02940	20.1
111.53056	1.8
112.02737	2.9
113.00881	28.8
113.03447	1.7
114.00959	4.5
114.02412	5.8
115.02427	8.3
115.03193	2.9
115.03920	2.1
115.53358	1.8
116.98602	2.0
117.02168	2.2
117.02956	5.3
117.53067	1.4
118.01133	2.5
119.01934	100.0
120.02165	3.0
120.03318	1.5
120.05293	3.2
120.52489	1.7
121.01682	1.7
121.03212	2.8
123.02934	11.7
123.04463	1.4
123.52979	2.6
124.02538	2.3
124.04739	2.7
126.02460	4.2
126.03353	1.5
127.02435	7.0
127.03931	11.3
128.98592	1.7
129.00381	1.9
129.02986	8.2
129.03838	2.5
129.53021	1.9
130.03688	3.2
131.01917	51.1
132.01973	10.7
132.03438	9.3
132.53522	1.5
133.01688	2.0
133.03467	7.5
135.02960	4.9
136.03676	2.0
137.02983	11.8
137.07930	8.7
138.03444	12.0
138.53548	4.6
139.02435	4.3
141.04010	2.9
142.03517	19.1
143.01913	62.8
144.02071	8.7
144.03445	4.4
144.53545	1.9
145.01717	2.0
145.03470	29.8
145.04758	1.7
145.05084	1.6
146.03571	3.0
147.01421	4.4
147.04007	3.5
148.04724	1.8
149.01138	3.0
149.02968	5.4
150.03311	3.0
153.04015	4.2
154.08759	1.3
155.01910	57.6
155.03554	3.4
156.02086	5.3
157.03470	20.4
158.03581	3.2
159.01343	2.2
160.04607	7.6
161.01550	2.8
161.02966	49.2
161.04941	1.9
162.03067	8.1
165.03963	1.9
166.08633	4.8
167.01907	14.4
169.03497	5.1
171.01363	2.2
171.05090	1.7
173.01445	2.6
173.02979	55.8
173.04498	2.8
174.03084	7.9
175.02863	1.8
175.04521	5.1
178.02722	1.5
179.02090	2.2
179.04012	5.6
183.04970	3.2
185.02972	35.4
186.03125	6.9
187.04541	4.0
191.04050	4.0
197.02969	8.8
199.04518	3.2
203.04053	17.7
204.04214	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0814
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03947	1.9
55.01885	0.6
55.05516	0.6
56.16321	0.3
63.83677	0.3
65.03945	0.3
67.05511	0.7
68.05029	0.4
70.06585	0.6
71.04999	0.4
71.55743	0.4
77.03944	0.8
79.05505	1.0
80.05023	0.5
81.07059	0.8
82.07397	0.4
84.04514	2.0
85.02907	0.9
91.05486	4.3
93.05803	0.8
93.07051	2.9
94.06586	1.0
94.07383	0.6
95.04980	1.6
98.97578	1.3
99.04488	0.5
99.97962	0.6
105.04546	0.6
105.08433	0.3
108.04495	0.9
108.08135	6.3
108.08875	0.6
110.06052	0.3
110.09659	0.3
116.98637	0.6
117.99008	0.6
120.08964	0.3
121.10115	0.4
122.06053	2.1
122.10485	0.8
123.04440	0.8
126.05511	1.5
126.09175	0.7
136.07588	100.0
137.07896	1.0
138.09138	0.5
140.07065	2.6
146.10408	0.5
154.08629	1.0
164.07080	47.8
164.11534	1.7
165.07436	0.6
182.08185	1.9
182.12619	0.4
196.53275	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1541
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
55.05514	6.7
56.41027	1.1
56.96548	2.4
57.03431	1.0
57.07072	2.9
58.02966	32.6
67.05507	20.5
67.23843	0.9
69.07073	59.7
70.06596	3.2
70.39852	1.1
71.04993	1.2
71.16854	2.3
74.06091	1.2
79.05479	4.6
81.07068	20.2
83.05003	1.6
83.08617	6.9
83.16882	1.0
84.04510	3.4
84.08152	7.5
91.05475	5.5
93.07048	13.3
94.06577	1.4
95.04945	2.4
95.08607	5.4
97.06535	3.1
98.06064	2.0
98.09693	3.2
98.97590	8.3
99.97911	2.5
100.07616	6.2
105.07046	12.3
107.08614	16.1
108.08133	10.8
109.06545	1.6
109.10168	47.0
112.07606	3.2
114.09174	14.1
116.98621	2.8
117.98970	3.1
119.08602	1.5
121.10136	1.9
123.11724	5.7
126.09158	14.0
126.12822	1.4
133.10136	26.2
135.11702	21.0
136.07591	13.8
138.09131	1.6
138.12794	21.0
147.11697	4.4
151.11205	9.4
153.12744	13.1
154.15892	1.5
164.07030	1.4
164.14334	3.7
165.12790	2.3
182.08205	2.0
182.15421	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0815
Annotation	Tyrosine
Peak:m/z	Relative Intensity
50.73273	0.4
53.03943	0.9
55.05524	0.4
56.96572	3.1
57.03419	0.6
61.02933	0.7
69.03426	1.1
70.23973	1.4
70.99834	0.5
77.03949	0.6
81.03416	0.7
84.04514	0.8
84.96046	0.6
85.02899	1.9
91.05491	32.2
93.07059	0.6
95.04983	14.2
97.02896	1.4
98.21482	0.5
98.97582	2.4
100.02467	1.2
101.00878	0.9
103.05460	1.4
107.04967	1.5
108.08150	3.0
109.06565	0.8
112.99099	0.4
113.00906	1.0
115.02449	0.9
116.98621	0.7
118.06549	2.0
119.01944	1.1
119.04955	35.9
121.06490	1.1
123.04441	45.3
124.04815	0.7
124.11753	0.5
126.09187	0.5
126.98733	0.4
129.02225	0.5
131.01932	1.7
136.07588	100.0
137.07921	1.2
140.98596	1.0
143.01895	0.6
144.99821	0.7
147.03413	0.7
147.04417	15.1
149.02991	0.4
154.03535	1.5
154.08701	0.5
158.99702	1.6
159.01416	0.7
164.05724	0.6
164.07082	1.7
165.05490	20.9
170.05162	0.6
177.00867	0.7
177.02464	1.2
177.05969	0.5
182.08124	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	182.0815
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03937	2.8
54.03481	1.1
55.01868	2.7
55.05500	3.5
56.05032	1.9
56.96554	2.7
57.03438	1.0
58.02958	0.9
63.83037	0.8
65.03928	2.4
65.12661	0.7
67.05508	10.1
68.02632	1.6
68.05023	2.5
69.03428	3.3
69.07056	2.4
69.81828	1.2
69.82235	3.3
70.06609	7.0
70.50764	0.8
71.04974	2.4
79.05067	1.2
79.05496	15.4
80.05042	3.9
81.03415	1.7
81.06593	1.4
81.07062	23.7
82.02970	1.1
82.06590	1.9
83.08629	1.5
84.04048	1.2
84.04510	14.6
84.08147	0.9
85.02900	6.6
86.02425	3.3
91.05491	5.2
92.05006	1.2
92.05784	1.6
93.05808	4.8
93.07040	2.8
94.06558	7.0
94.07370	1.3
95.04974	4.8
95.08610	1.0
96.04486	2.3
96.08128	1.1
97.05290	1.0
97.06542	5.0
98.06052	2.3
98.09705	2.0
98.97591	9.0
99.04436	4.0
99.97927	3.6
105.03397	0.8
106.06557	0.8
107.07328	2.8
108.04490	1.4
108.08128	62.2
109.06500	3.3
110.06032	3.3
110.09679	1.3
112.03990	1.0
116.98617	3.7
117.05762	1.0
117.98978	2.2
118.06522	1.8
120.04442	1.7
121.05247	2.6
122.06016	3.6
122.06805	1.6
122.10468	1.1
123.04397	2.2
124.07585	1.4
125.06006	16.0
126.05532	16.4
126.09159	16.0
134.05965	0.8
134.99605	1.7
136.07588	100.0
137.07895	1.4
137.09598	1.1
138.05481	2.7
138.09114	6.5
140.00130	1.2
152.07074	1.2
153.05342	0.8
153.07901	0.9
154.08650	20.0
155.07133	0.9
158.99600	1.5
164.07082	49.9
171.55502	1.3
177.00710	0.8
182.08134	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	181.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50674	1.3
55.05506	3.5
56.96569	8.6
57.06826	2.0
57.07080	26.4
59.05008	2.5
67.05503	1.6
69.03426	2.5
69.07071	3.4
70.79740	3.6
71.95274	2.8
74.35210	1.3
79.05503	11.0
81.03419	6.2
81.07047	4.3
83.04994	50.0
91.05477	3.4
93.07052	9.0
95.04965	17.0
97.06540	26.1
98.97594	91.5
99.05564	1.8
105.07052	4.5
107.04973	2.1
107.08604	10.1
108.08099	3.8
109.06503	1.7
116.98639	49.2
117.07028	1.5
119.08541	3.3
121.06514	3.3
121.10160	14.5
125.06005	60.6
130.07826	1.7
134.99658	15.2
135.11707	4.6
136.07597	6.2
140.00217	7.7
141.66501	1.3
145.10115	8.5
158.01228	3.2
162.44321	1.3
163.11201	100.0
164.11639	1.7
181.10103	1.6
181.10452	1.9
181.12238	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03959	2.2
53.80605	0.8
55.01883	2.1
55.05502	3.1
56.96570	8.6
57.03421	2.5
57.07076	18.6
59.04998	2.1
62.47041	0.9
65.03931	1.0
67.05504	3.1
67.98026	0.9
69.03436	2.5
69.07066	4.5
69.19242	6.9
69.19650	1.5
70.06603	1.0
71.04994	1.8
71.95269	2.8
79.05491	11.0
81.03414	4.1
81.07062	7.8
83.04485	1.8
83.04984	35.3
84.04503	2.4
85.02922	1.3
85.06535	1.4
85.07036	0.8
91.05484	4.6
93.07047	13.8
95.04974	13.0
95.08594	2.6
97.06541	19.5
98.97589	100.0
103.05485	2.2
105.07048	4.6
107.04951	2.4
107.08587	13.6
108.08102	5.1
109.06488	2.0
116.98626	51.7
117.07019	1.8
119.08582	4.1
121.06514	7.3
121.10138	16.8
123.08080	1.5
123.11763	1.1
125.06000	46.9
126.06303	0.9
128.98201	0.8
130.07796	1.9
134.99655	14.2
135.04459	1.9
135.08029	2.4
135.11678	7.4
136.04776	0.9
136.07582	10.8
139.11183	0.9
140.00194	2.7
145.02843	1.0
145.10139	9.8
149.06038	1.9
153.00737	1.0
158.01239	2.1
163.03918	2.8
163.11186	71.5
164.11595	1.4
181.04958	2.5
181.08588	1.7
181.12228	23.5
182.08125	1.6
187.27933	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
50.02330	1.1
51.50832	0.9
55.01862	1.6
55.05508	3.1
56.92767	1.1
56.96576	7.7
57.06826	1.6
57.07080	22.4
59.05002	1.8
62.83826	0.9
65.86958	1.2
67.05505	1.3
69.07057	3.2
70.06567	1.3
70.57974	1.7
70.58313	2.6
71.95263	2.0
75.55698	1.3
76.60677	1.0
79.05497	9.0
81.03421	6.6
81.07052	5.0
83.04987	48.0
84.04514	1.9
91.05472	3.4
93.07060	7.2
95.04967	15.6
97.06535	23.3
98.97591	100.0
99.05589	2.7
105.07014	4.4
107.04942	1.7
107.08602	10.2
108.08133	10.0
109.06532	1.2
116.98626	52.6
119.08574	2.5
120.04118	1.0
121.06496	3.2
121.10152	12.5
125.06001	59.5
130.07823	2.1
134.07130	1.1
134.99669	14.0
135.11722	6.6
136.07579	18.0
138.09175	1.2
140.00185	6.0
145.10124	11.9
153.00717	1.7
158.01262	3.9
163.11189	96.0
164.11525	1.4
166.59250	1.1
181.10550	2.0
181.12233	29.1
182.08162	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0496
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03949	0.7
56.96334	0.4
56.96569	4.7
57.03418	0.4
58.78961	0.3
63.02373	0.6
65.03931	0.8
69.03429	0.5
69.62206	2.5
70.06594	0.6
70.68566	0.4
71.04958	0.4
71.95274	0.8
79.05500	3.2
85.02888	0.6
86.79488	0.3
89.03922	19.0
91.05488	2.3
93.03423	1.1
93.07041	1.1
94.06571	0.4
95.04958	0.9
97.69607	0.3
98.20761	0.7
98.97594	42.1
107.04962	6.2
108.08128	0.6
111.04454	1.7
116.98631	18.6
117.03391	23.1
119.04942	1.5
121.06499	0.5
126.09291	0.4
128.02301	0.4
134.99680	5.1
135.04428	39.6
136.04842	0.3
136.07568	2.9
137.05983	1.8
138.05521	0.3
139.03938	1.2
140.00206	1.0
145.02861	24.5
149.05960	0.4
150.05540	0.7
151.07567	0.5
154.08618	0.4
158.01349	0.4
163.03917	100.0
164.04218	2.0
164.07056	0.6
174.98532	0.4
181.04938	1.0
182.08192	1.0
186.04372	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	1.9
51.02382	5.6
53.00306	1.7
55.01865	4.5
56.96564	7.0
57.03433	1.2
63.02380	0.5
63.94585	0.6
66.01083	1.4
67.01868	47.8
68.99794	33.1
69.03429	10.0
69.65833	2.7
69.66246	1.3
71.01397	0.6
71.95264	1.6
74.67249	0.6
79.01859	35.2
81.03416	1.2
83.01346	100.0
85.02914	1.3
86.33788	0.6
94.00539	0.9
95.01329	4.9
95.05000	0.7
97.02898	7.6
98.97588	76.9
99.05579	0.7
107.01321	20.1
107.02036	1.3
107.08572	0.7
108.08108	0.8
116.98626	38.1
117.22681	0.6
123.00826	1.4
125.02360	7.6
125.05977	1.6
134.99670	10.8
135.00792	12.8
136.07585	2.5
140.00191	5.3
153.00731	1.0
153.01846	7.1
158.01273	3.0
163.00275	1.0
163.11243	1.3
181.01326	97.5
181.12177	1.3
182.01683	1.7
199.02388	66.1
200.02736	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0497
Annotation	m-Hydroxyphenylpyruvic acid
Peak:m/z	Relative Intensity
51.02392	0.4
53.03938	1.3
55.01863	1.3
55.05508	0.9
56.96568	5.5
57.03442	0.4
57.42028	0.4
63.02390	0.4
65.03938	0.8
67.05483	0.4
67.36620	0.4
69.03438	0.9
69.82847	2.1
70.06581	0.9
71.04974	0.7
71.95248	1.1
79.05505	5.3
81.03443	0.8
81.07052	0.9
83.04981	1.0
84.04492	1.5
84.53991	0.4
85.02911	0.9
89.03922	16.8
91.05492	4.8
93.03399	0.6
93.07059	2.6
95.04985	2.2
97.02882	0.7
97.06548	0.7
98.21494	0.5
98.97591	48.1
99.04449	0.5
99.97936	0.6
103.05482	1.5
105.04505	0.5
107.04223	0.6
107.04965	11.5
107.08607	0.5
108.04504	0.5
108.08133	2.2
109.06531	0.7
111.04445	1.7
116.98627	27.4
117.03387	18.7
119.01761	0.6
119.04959	3.1
120.08082	0.4
121.06520	2.4
121.10172	0.9
122.03649	0.6
122.06029	0.5
123.04443	1.1
125.05991	1.0
128.02304	0.5
131.04918	0.7
134.99678	10.9
135.04427	41.3
135.06769	2.5
135.07991	0.7
135.11761	0.7
136.07585	3.9
137.05992	7.0
139.03920	2.2
140.00206	1.1
145.02858	20.8
145.03831	0.7
146.03217	0.4
148.41458	0.3
149.05966	1.2
151.03905	1.2
151.07516	1.9
153.00726	0.9
153.05458	4.3
153.09119	0.4
153.10272	0.4
154.08632	0.9
156.97588	0.4
157.97672	0.4
158.01271	1.1
158.99738	0.6
163.03917	100.0
163.11168	1.0
164.04250	1.7
164.07077	0.8
166.06346	0.4
181.04982	5.8
181.06441	0.5
181.08502	0.7
181.09906	0.7
181.12216	1.1
182.08165	1.2
188.57362	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	1.7
51.02384	6.9
53.00309	1.9
54.78092	0.8
55.01876	5.1
56.96573	6.7
57.03427	1.7
57.07087	1.7
66.01070	1.1
67.01870	49.7
68.99440	1.5
68.99796	24.7
69.03432	8.3
70.74017	2.6
71.95258	1.8
79.01859	34.5
79.05487	1.7
81.03429	2.0
81.07008	1.1
82.68999	1.0
83.01350	77.0
83.04982	3.1
93.07008	1.1
95.01328	4.3
97.02894	8.0
97.06524	2.6
98.97592	71.7
99.00810	1.0
99.05624	1.0
105.66279	1.0
107.01331	21.4
107.08571	1.4
108.08141	2.1
116.98631	41.5
121.10101	1.2
123.00799	1.7
125.02365	6.8
125.05966	4.3
134.99667	14.0
135.00783	12.4
135.04459	0.9
135.11673	1.2
136.07596	1.9
138.02759	0.9
138.45709	0.8
140.00191	4.2
144.32088	0.9
153.01842	5.2
158.01291	3.2
163.03864	1.8
163.11186	7.4
163.16153	0.8
181.01334	100.0
181.06511	2.2
181.10843	1.4
181.12253	3.2
182.01593	1.2
199.02394	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	179.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.2
53.59035	1.4
55.01879	11.2
55.05529	10.0
56.96553	4.9
57.03448	11.8
57.07073	2.0
64.13820	1.4
65.03936	2.8
66.97378	1.5
67.05511	35.2
68.99784	2.0
69.03436	4.1
69.07082	9.8
69.37194	10.0
69.37604	3.7
71.04988	5.2
73.06575	1.4
79.05023	1.1
79.05490	30.3
81.07069	62.0
83.04989	9.0
83.08614	4.2
83.63924	1.4
85.06538	6.7
91.05490	54.9
93.07059	49.5
94.07411	1.9
95.04987	7.2
95.08617	87.9
96.08945	2.8
97.06527	12.7
97.96800	1.9
98.97598	3.7
103.01699	1.4
103.05446	1.7
105.03407	6.6
105.07039	42.5
106.07422	3.0
107.08603	22.2
109.06531	7.2
109.10168	10.6
111.08098	6.7
113.75645	1.6
115.05484	1.7
117.07020	3.7
119.01794	1.8
119.04959	18.7
119.08595	73.6
120.08926	2.1
121.10159	22.7
123.04462	5.2
123.08075	16.0
126.02569	2.1
131.08534	2.4
133.06482	6.7
133.10152	41.6
134.06059	1.9
135.08012	2.6
135.11703	42.9
136.05226	2.6
137.05933	3.7
137.09650	8.3
137.13271	4.3
146.03616	2.2
147.04419	25.4
151.03902	2.7
151.07564	2.6
151.11172	2.5
151.14836	1.4
161.05980	11.9
161.09648	3.1
161.13269	100.0
179.03426	11.7
179.07130	12.4
179.10809	7.1
179.14336	82.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.91273	1.0
53.03931	2.9
54.32315	0.9
55.01885	5.4
55.05513	9.6
56.96558	1.7
57.03441	9.3
57.07064	3.1
59.05035	1.0
65.03941	1.3
67.05509	48.5
69.03424	4.2
69.06795	1.2
69.07076	11.8
70.28408	2.9
70.28744	1.2
70.98022	0.9
71.04987	6.0
75.59113	1.0
79.05495	30.7
81.07063	100.0
83.04996	9.3
83.08615	4.6
85.06548	7.5
91.05486	34.9
93.07050	43.5
95.04993	5.6
95.08613	87.9
97.06538	23.8
99.08099	7.9
103.05473	1.0
105.07038	41.3
105.10449	0.9
107.08598	21.3
109.06519	7.1
109.10166	11.8
111.08102	5.9
117.07008	3.7
117.11060	1.2
119.04942	3.9
119.08588	58.6
121.10143	16.4
123.04422	1.4
123.08090	11.9
123.11709	5.3
133.06494	1.1
133.10144	42.4
135.11710	33.8
137.09647	5.9
137.13274	2.2
147.04414	3.5
151.11150	2.4
151.14873	2.0
159.11659	1.2
161.06001	2.0
161.13268	87.1
162.13626	2.0
179.03409	2.8
179.07089	1.8
179.14322	93.4
180.14684	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1433
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03950	2.2
53.59035	1.4
55.01879	11.2
55.05529	10.0
56.96553	4.9
57.03448	11.8
57.07073	2.0
64.13820	1.4
65.03936	2.8
66.97378	1.5
67.05511	35.2
68.99784	2.0
69.03436	4.1
69.07082	9.8
69.37194	10.0
69.37604	3.7
71.04988	5.2
73.06575	1.4
79.05023	1.1
79.05490	30.3
81.07069	62.0
83.04989	9.0
83.08614	4.2
83.63924	1.4
85.06538	6.7
91.05490	54.9
93.07059	49.5
94.07411	1.9
95.04987	7.2
95.08617	87.9
96.08945	2.8
97.06527	12.7
97.96800	1.9
98.97598	3.7
103.01699	1.4
103.05446	1.7
105.03407	6.6
105.07039	42.5
106.07422	3.0
107.08603	22.2
109.06531	7.2
109.10168	10.6
111.08098	6.7
113.75645	1.6
115.05484	1.7
117.07020	3.7
119.01794	1.8
119.04959	18.7
119.08595	73.6
120.08926	2.1
121.10159	22.7
123.04462	5.2
123.08075	16.0
126.02569	2.1
131.08534	2.4
133.06482	6.7
133.10152	41.6
134.06059	1.9
135.08012	2.6
135.11703	42.9
136.05226	2.6
137.05933	3.7
137.09650	8.3
137.13271	4.3
146.03616	2.2
147.04419	25.4
151.03902	2.7
151.07564	2.6
151.11172	2.5
151.14836	1.4
161.05980	11.9
161.09648	3.1
161.13269	100.0
179.03426	11.7
179.07130	12.4
179.10809	7.1
179.14336	82.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
57.07052	0.5
58.99857	0.6
61.44978	0.4
67.59641	0.4
69.03427	0.6
69.41585	3.2
79.05487	0.8
82.01428	1.7
82.99860	2.3
85.01389	0.4
91.05478	1.4
93.07064	0.5
95.04978	1.2
95.08592	0.4
100.02497	3.5
101.00890	29.7
102.00993	0.6
102.44039	0.4
103.02450	0.7
105.07027	1.7
108.04525	0.4
115.00564	0.5
115.01290	0.4
115.02435	3.1
118.03549	0.8
119.01932	100.0
119.04902	2.0
120.02027	2.9
123.04502	0.5
131.01956	0.8
133.01701	1.9
133.03488	11.8
133.06514	1.3
133.10132	1.2
137.02971	22.5
137.09520	0.5
138.03099	0.6
138.04057	0.6
138.96480	0.5
142.03519	2.2
143.01974	0.8
147.04359	2.2
151.04573	3.6
155.01952	0.5
156.02040	0.5
156.03259	0.8
156.05086	6.6
156.97527	1.4
157.03442	0.9
161.02983	22.3
161.05960	1.1
161.09642	0.6
162.09109	0.6
173.02992	0.7
174.03128	1.4
174.06120	2.2
174.98595	1.0
175.04547	0.8
179.04048	25.3
179.06596	0.9
179.10699	1.3
180.04120	0.9
184.04645	0.6
197.00633	0.5
198.00209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03933	3.0
53.49824	1.3
55.01877	12.0
55.05522	10.4
56.96560	5.7
57.03442	8.5
59.04995	1.9
65.03941	5.2
67.05187	3.0
67.05515	43.5
69.03422	4.9
69.07072	12.5
71.05003	8.4
71.55112	2.3
71.55499	1.6
79.05505	36.0
81.07066	92.5
83.04979	10.9
83.08604	5.3
83.53398	1.4
83.94546	1.4
85.02910	1.7
85.06548	10.2
89.03948	1.4
91.05494	48.3
93.06474	2.8
93.07053	50.6
95.04976	10.8
95.08620	83.0
97.06550	25.2
98.97597	2.8
99.08109	9.4
105.03400	3.6
105.07045	57.5
107.08598	23.9
108.02097	2.3
108.04519	1.5
109.06541	6.7
109.10177	11.4
111.08086	5.9
117.07027	4.0
119.01844	2.1
119.04966	14.1
119.08599	69.4
120.02532	1.6
121.06537	3.4
121.10160	19.8
123.04435	5.7
123.08086	11.9
123.11718	2.8
131.08548	2.6
133.06505	5.8
133.10153	52.1
135.04437	1.5
135.11711	35.4
136.05209	2.6
137.05960	3.8
137.09628	5.5
137.13243	3.3
146.03645	1.5
147.04454	18.9
149.02388	4.0
151.03934	5.0
151.07581	2.9
151.11203	2.6
157.57793	1.4
161.06026	7.5
161.09695	7.0
161.13274	100.0
162.09222	1.8
162.13617	1.5
179.03418	30.7
179.07164	8.8
179.08377	1.7
179.10722	10.3
179.14336	95.5
180.06528	1.7
180.14764	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0339
Annotation	CHEBI:69203
Peak:m/z	Relative Intensity
53.03947	0.6
55.01883	1.9
56.96540	1.2
57.03431	0.7
64.46913	0.4
65.03948	5.1
67.05495	1.0
68.99781	0.8
69.03418	0.6
70.85011	0.8
70.85370	0.6
75.02373	17.7
79.05481	1.4
81.03412	0.7
81.07031	0.5
83.04976	0.4
90.60093	0.4
91.01846	3.5
91.05488	2.3
93.03416	4.6
93.07040	0.6
95.04979	1.8
95.08614	0.7
98.88980	0.4
98.97574	0.5
103.01835	30.3
105.03393	2.9
105.07015	1.1
108.01455	0.4
108.02106	2.9
109.02842	0.4
111.04449	8.2
115.04084	0.4
116.04951	0.5
119.01304	11.0
119.04951	2.0
119.08598	0.5
121.02892	2.0
121.03982	2.8
121.10175	0.7
121.41039	0.4
122.02282	0.4
123.04412	1.3
133.06499	1.1
133.10088	1.2
135.04482	0.5
136.01492	2.0
136.05183	0.5
137.05989	0.7
137.09602	0.8
146.99658	0.7
147.00780	9.4
147.04399	3.7
149.02357	6.1
151.03905	10.2
154.02632	2.0
154.75546	0.4
161.05954	1.2
161.09644	0.7
165.01848	38.4
179.03403	100.0
179.10687	1.3
180.03737	1.2
180.12622	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	5,7-Dihydroxychromone
Peak:m/z	Relative Intensity
51.02383	0.7
53.00308	3.5
53.03933	0.8
56.96573	1.7
60.24376	0.6
65.03947	70.5
66.04263	0.8
70.16436	1.4
70.16831	1.4
77.03928	1.8
79.01853	1.2
81.03409	1.2
81.07024	0.8
83.04975	1.8
93.03415	28.7
95.04994	1.1
98.97578	0.9
105.03390	2.9
107.01308	2.1
121.52048	0.7
126.02566	1.1
133.02869	0.9
133.10165	1.2
137.53348	0.9
147.04359	1.1
151.03970	0.8
161.02362	3.7
161.06096	1.0
179.03412	100.0
179.14293	0.7
180.03767	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	CHEBI:69203
Peak:m/z	Relative Intensity
51.02387	0.3
53.03947	1.3
53.95374	0.4
55.01879	1.7
55.05526	0.7
56.96560	0.8
57.03440	2.4
57.07056	0.4
63.02386	0.6
65.03945	6.4
67.05503	2.9
68.99788	2.5
69.03430	0.5
69.07066	0.4
69.23324	3.4
76.64901	0.3
77.03929	0.5
79.05506	3.5
81.07057	1.3
91.05073	0.4
91.05499	4.8
93.07056	2.8
94.07365	0.4
95.04982	6.6
95.08611	0.8
96.08910	0.5
97.92434	0.3
98.97585	0.6
103.05485	0.3
105.02717	0.7
105.03407	12.3
105.07039	5.1
107.08599	4.1
108.02116	10.4
108.08965	0.6
109.06509	1.0
109.10162	0.8
111.04442	2.6
117.02134	0.4
117.07005	0.4
119.01239	0.5
119.04919	1.8
119.08593	1.4
121.02872	6.3
121.03979	2.3
121.06513	0.9
121.10149	1.1
122.10473	1.0
123.04436	4.0
133.06509	1.1
133.10139	7.2
135.08022	0.4
136.01559	1.8
137.05972	0.7
137.09641	0.9
147.04411	2.2
149.02357	30.3
150.02711	0.4
151.03920	18.0
154.02631	3.0
161.05994	1.3
161.09639	2.9
178.16710	0.7
179.03412	100.0
179.10672	9.2
179.14153	0.4
179.96510	0.4
180.03726	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1228
Annotation	4-(Diethylamino)benzaldehyde
Peak:m/z	Relative Intensity
53.65300	0.4
62.98198	0.4
65.03943	0.4
69.17594	3.5
69.18008	0.9
70.42213	0.4
89.03965	1.0
90.04264	1.5
91.05488	0.8
92.05007	0.7
93.05792	0.5
105.07056	0.8
107.08636	0.8
115.05479	0.5
117.03412	1.0
117.07035	1.3
118.03723	3.2
118.06549	8.9
119.07346	9.3
132.08089	0.9
134.09668	63.1
135.03934	0.6
135.10042	0.6
145.02855	0.9
146.03188	6.5
150.06361	1.3
154.94225	0.6
160.11250	1.2
162.09135	2.0
163.09914	0.9
178.05807	1.6
178.12288	100.0
179.12685	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	177.164
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03943	1.1
53.50930	0.6
55.05520	10.0
57.07084	1.3
67.05512	6.6
67.82893	0.7
69.07074	24.5
71.00108	1.4
78.04700	0.8
79.05505	13.7
81.07065	13.7
83.08629	14.8
89.03918	4.7
91.05490	10.1
93.07053	33.5
94.07406	0.8
95.04984	1.4
95.08617	35.3
97.10178	2.5
98.97595	2.3
98.98477	2.2
103.05416	0.9
105.07041	8.7
106.04179	3.0
107.08607	69.7
108.08891	0.8
109.06516	1.2
109.10173	14.0
116.98624	1.0
117.03378	7.7
117.07024	1.4
119.08607	2.5
121.06527	1.3
121.10155	100.0
123.08045	1.1
123.11713	0.6
128.61217	0.6
131.08539	1.2
133.07611	0.8
133.10149	1.1
134.03650	1.7
135.11710	16.5
145.02870	8.5
147.60184	0.6
149.02341	0.7
149.05986	4.3
149.13300	5.6
159.11740	1.5
163.03947	0.7
177.02196	1.0
177.05475	4.5
177.09157	0.9
177.12813	2.4
177.16405	49.0
178.16740	1.3
187.15013	0.6
198.00136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03937	1.4
55.05515	11.6
56.96562	3.9
57.07077	2.0
65.03921	1.5
67.05514	6.4
69.07070	22.9
69.25850	7.4
79.05496	13.7
81.07064	16.0
82.01812	1.4
83.08628	12.6
89.03933	7.0
91.05484	9.0
93.07053	36.5
95.04961	1.9
95.08616	39.9
95.19221	0.9
96.41917	1.0
97.10156	2.7
98.98464	2.9
101.47205	0.9
103.05482	0.9
105.07055	7.9
106.04173	2.4
106.07287	0.9
107.04974	1.3
107.08601	65.9
109.10167	10.4
117.03388	8.4
119.08582	3.3
121.06566	1.3
121.10152	100.0
122.10469	1.5
131.08604	2.6
133.10133	1.7
134.03644	1.5
135.11696	16.4
136.06427	1.3
145.02838	11.5
145.07028	2.3
149.05978	4.2
149.13300	8.1
154.07486	1.3
159.08005	1.3
159.11682	2.4
177.05466	4.6
177.09123	2.2
177.12762	3.7
177.16394	56.1
178.16679	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03951	1.1
54.52462	0.8
55.05518	10.7
57.07071	1.5
58.34423	0.8
67.05522	5.9
69.07076	25.3
70.59686	2.2
70.60016	2.0
78.04709	1.6
79.05502	14.9
81.06640	1.7
81.07067	16.3
83.08618	13.0
88.85103	0.9
89.03929	15.2
90.28179	0.9
91.05495	9.9
93.07053	34.3
93.07637	1.9
95.08620	37.5
97.10182	3.4
98.20827	1.2
98.63099	0.9
98.97605	1.2
98.98479	5.0
103.05492	2.1
105.07045	8.8
106.04148	1.2
107.05019	1.2
107.08608	63.5
109.06528	1.8
109.09460	1.5
109.10173	13.0
117.03389	24.0
119.06134	1.0
119.08588	1.6
121.06538	1.2
121.10155	100.0
123.08074	0.9
131.08629	1.4
134.03651	3.1
135.04370	1.6
135.08093	0.9
135.11720	14.7
140.75818	1.0
145.02864	25.9
149.05981	7.6
149.13297	6.3
162.03114	1.0
163.03952	1.1
177.05479	9.0
177.09117	1.6
177.16408	52.3
178.16873	1.1
182.44017	1.2
187.62494	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.164
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03948	2.7
55.05518	15.4
57.07098	3.0
62.21293	1.3
64.04483	1.2
66.85630	1.2
67.05511	13.0
69.07075	28.1
71.54971	1.8
75.59063	1.2
79.05500	21.9
80.45885	1.3
81.07066	32.2
83.08212	1.5
83.08627	16.1
88.02225	1.8
89.03916	2.8
91.05480	12.6
93.07053	60.5
95.04972	1.6
95.08614	62.1
97.10202	6.3
98.98478	9.9
104.01815	1.4
105.07064	8.7
105.52982	1.4
107.05013	1.7
107.08603	75.3
109.10168	15.0
117.03374	4.9
119.08597	3.7
121.06513	3.2
121.10154	100.0
131.08604	1.3
133.10126	1.8
135.08029	1.7
135.11717	21.7
145.02858	5.0
145.10561	1.7
149.05974	2.7
149.13292	6.5
159.11769	2.0
177.05379	1.7
177.09097	3.1
177.12837	6.8
177.16400	60.9
178.08516	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
56.96562	0.7
60.04537	1.6
63.02382	1.8
71.40244	1.4
72.04517	1.2
78.04719	3.6
79.05531	0.6
89.03927	48.5
90.04233	1.0
90.05566	0.9
91.05503	3.4
93.07041	0.6
95.04999	0.8
98.97580	1.3
98.98485	1.1
101.00869	0.7
103.05483	2.2
104.20553	0.7
105.03420	1.4
106.04172	3.8
107.76722	0.7
113.00878	1.4
117.03393	84.9
118.03697	1.0
118.05038	1.1
119.01929	1.3
121.06503	0.7
124.05222	0.8
127.02475	0.7
131.01913	3.5
134.03650	9.6
135.04454	4.1
136.93112	0.7
145.02859	100.0
146.03230	2.0
149.06001	25.5
154.03513	0.8
162.03094	1.1
163.03912	2.0
177.05482	24.9
177.08893	0.7
178.05910	0.6
186.05531	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
53.55650	1.0
54.03456	1.0
55.05516	16.4
55.83354	0.9
57.07077	2.5
58.70771	1.1
67.05508	11.5
68.05022	1.4
69.07072	26.9
71.15120	2.0
71.15478	1.2
75.06214	1.1
79.05498	24.7
81.07062	31.1
83.08626	16.2
89.03912	3.8
91.05481	12.6
91.55677	1.0
93.07050	54.0
95.04974	1.5
95.06034	1.3
95.08612	64.2
97.10150	4.9
97.14867	1.0
98.98470	10.9
103.05463	1.6
105.07053	9.8
107.08601	66.7
108.08952	1.2
109.02862	1.1
109.06496	1.4
109.07638	2.3
109.10171	16.7
117.03376	6.6
119.08595	3.9
120.05586	1.4
121.06492	2.0
121.10150	100.0
122.07146	1.8
122.10448	1.8
131.08582	1.7
133.10229	1.1
134.07095	1.9
135.06636	2.1
135.11697	17.5
136.08717	4.3
137.08229	1.3
137.09546	2.1
143.75024	1.0
144.10252	1.3
145.02849	6.6
145.10522	1.4
149.02386	2.7
149.05978	5.0
149.13268	3.5
159.08060	1.8
159.11725	1.3
162.03130	1.4
177.05411	7.3
177.07771	1.4
177.09067	2.4
177.11360	6.9
177.12831	3.8
177.16397	54.1
178.16742	1.1
180.29686	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.03365	0.5
53.03937	0.7
56.29369	0.5
56.96575	0.6
63.02375	1.3
64.48489	0.4
65.03947	0.6
70.78571	0.6
70.78916	1.1
75.28325	0.4
78.04717	3.1
89.03922	46.8
90.04266	1.0
91.05492	3.0
93.07048	0.8
93.65318	0.5
95.04985	0.7
98.97611	3.2
98.98482	1.4
103.05503	1.4
105.03444	0.8
105.07035	0.6
106.04162	4.1
111.47758	0.7
116.98628	1.7
117.03388	79.9
118.03694	1.5
121.06499	1.0
124.05194	0.9
129.04472	0.6
133.27296	0.5
134.03641	9.4
134.09729	0.6
135.04439	4.2
145.02853	100.0
146.03217	2.4
147.04405	0.5
149.05994	23.9
158.06047	0.6
162.03142	3.2
163.03917	3.2
177.05476	25.9
178.12283	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03943	1.6
53.18040	0.8
55.01875	1.3
57.07061	1.1
59.86083	0.6
63.02377	1.6
64.46887	0.6
65.03922	1.1
70.88555	1.0
70.88904	1.1
71.13165	0.5
77.03899	0.6
77.82681	0.7
78.04719	4.1
79.05484	2.2
81.07082	0.7
87.91019	0.6
89.03921	54.0
91.05487	8.1
93.07037	3.9
93.88907	0.7
95.04969	2.2
95.08587	1.1
98.97585	2.0
98.98469	2.1
103.05481	6.2
105.03394	1.4
106.04182	4.4
107.04961	13.7
107.08588	1.5
117.03384	85.1
118.03720	0.8
119.04950	1.6
121.02899	0.7
121.06506	6.3
121.10127	1.4
124.05238	1.2
128.08000	0.6
130.40781	0.6
131.04930	1.0
131.08542	0.9
134.03632	12.2
135.04422	8.4
139.93346	0.6
145.02850	100.0
146.03174	2.6
147.04399	1.2
149.02344	0.9
149.04771	1.5
149.05991	29.9
149.09572	0.7
162.03189	3.2
163.03923	4.5
177.05487	29.5
177.09010	1.7
177.12737	1.6
177.16447	0.8
186.05510	1.3
193.28932	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.1436
Annotation	Nigrifactin
Peak:m/z	Relative Intensity
51.39080	0.2
53.03935	0.9
55.05505	0.7
55.20148	0.2
56.96562	0.9
57.03426	0.6
67.05510	0.6
69.07075	0.6
70.06589	0.4
71.04989	0.5
79.05499	1.0
81.03403	0.5
81.07056	1.1
84.08157	1.3
85.06544	1.9
85.08939	0.4
87.07823	0.3
89.03918	1.9
91.05483	1.2
92.05817	0.4
93.07047	0.9
95.08598	1.0
98.09701	0.6
98.97569	0.7
98.98483	1.8
99.04449	1.2
102.09182	1.2
103.05486	0.5
105.07025	0.8
106.04189	0.5
106.06596	0.4
106.07366	0.7
107.08589	1.1
108.08067	0.3
116.05787	0.4
116.41635	0.3
116.98653	0.3
117.03384	3.7
117.07027	0.3
118.06556	26.7
119.07336	0.8
119.08556	0.8
119.99608	0.2
120.08079	1.0
120.08943	1.1
121.06542	0.7
121.10148	0.9
130.06528	0.9
131.04892	0.3
131.07068	0.8
131.08582	1.1
132.08101	8.6
133.08871	2.9
133.10126	0.9
134.03616	0.5
134.09619	1.4
134.10510	1.1
135.04405	0.4
135.11685	0.4
142.06465	0.5
144.10202	4.0
145.02850	3.9
146.09656	8.3
147.10387	0.9
148.07524	0.4
148.11118	0.3
149.06032	1.3
149.13089	0.3
158.05962	0.4
160.11191	0.9
161.05585	0.5
161.09445	0.3
161.11995	0.5
176.06978	0.9
176.14352	100.0
177.05472	1.7
177.09138	1.0
177.12756	0.7
177.14674	2.4
177.16376	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	2.0
53.00304	1.3
53.03708	1.3
53.03951	21.9
55.01875	5.4
55.05494	0.6
63.02378	1.5
65.03948	2.0
67.01875	5.3
67.05522	0.8
69.07069	1.5
69.26083	5.2
77.00284	1.0
79.01849	1.3
79.05483	1.5
81.03424	100.0
81.07044	1.2
82.03762	1.2
83.08627	0.7
87.12946	0.8
89.03929	4.6
91.05494	2.3
93.07034	3.2
94.06577	1.7
95.01344	0.9
95.08625	2.2
98.98479	7.9
99.00829	12.4
105.07053	1.1
107.04963	0.9
107.08611	4.1
109.02890	72.6
109.10193	1.2
110.03234	1.0
117.01886	1.3
117.03387	7.8
121.02883	5.2
121.06500	0.7
121.10160	6.1
122.06027	0.9
127.03992	1.4
131.01273	3.6
131.08600	1.6
135.00797	0.9
135.04448	1.4
135.11746	1.0
137.09537	0.7
145.02850	10.2
149.02313	4.1
149.05978	3.4
149.13318	0.8
159.11732	1.0
163.03993	1.5
167.03421	3.2
177.01839	17.1
177.03288	1.0
177.05400	5.6
177.06612	0.8
177.09128	1.6
177.11497	1.1
177.12833	1.6
177.16429	2.0
186.05563	1.2
195.02910	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03941	1.6
55.05268	0.8
55.05515	9.5
57.07070	1.0
58.99585	0.9
67.05491	2.3
69.07072	21.4
70.06576	2.6
70.82074	2.0
75.56633	0.8
79.05502	4.6
81.03378	0.8
81.07065	10.6
83.08619	5.5
87.43449	0.8
91.05483	18.5
91.58961	1.0
93.07042	6.6
95.04987	1.0
95.08615	11.0
97.02860	1.0
98.97853	1.3
98.98466	15.9
103.05457	1.3
104.01697	1.8
104.06235	0.9
105.07035	36.6
107.08595	7.0
107.69515	0.8
109.10178	0.9
115.05469	3.2
116.01659	2.7
117.07029	5.7
119.04914	1.3
119.08584	96.1
120.08888	1.6
121.10146	4.1
128.06235	1.0
129.07030	1.0
130.06589	1.1
130.07693	0.9
131.08589	7.4
133.10132	99.2
134.10483	2.6
142.07722	1.0
145.10132	8.2
146.10910	1.9
147.04413	1.2
147.11685	14.6
147.16061	0.9
148.62727	0.9
157.10153	1.2
158.02693	2.8
158.06026	1.0
158.10826	0.9
159.11717	1.4
160.05251	1.7
160.12456	4.0
173.13269	3.6
175.07489	4.5
175.11467	4.0
175.14828	100.0
176.15205	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	175.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21474	0.8
55.05516	10.7
57.07080	1.0
61.73967	0.8
66.99738	0.9
67.05515	4.8
69.07075	21.6
70.85307	0.9
70.85622	1.4
79.05486	5.0
81.07057	17.1
83.08620	4.7
90.04778	0.9
91.05490	14.1
93.07053	7.6
95.08612	12.9
98.98460	2.5
103.05463	1.2
104.06244	1.2
105.07044	42.3
107.08598	9.1
115.05479	5.3
117.07053	5.9
119.08594	99.3
120.08811	1.1
121.10136	3.7
127.35710	0.9
128.06245	1.0
131.08571	7.4
132.05719	1.4
132.09360	2.0
132.57277	0.9
133.10143	100.0
134.10458	1.8
135.11702	1.6
143.04938	1.6
144.05617	1.1
145.10150	6.4
146.10902	2.5
147.11714	12.9
160.05240	6.7
160.12462	4.1
173.13304	2.3
175.07573	8.8
175.14842	92.6
176.04764	0.8
176.15163	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	175.1485
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03944	2.2
55.01866	1.6
55.05251	1.0
55.05515	8.1
56.96564	2.2
57.03443	1.0
57.07069	1.5
60.05618	0.8
62.60275	0.7
65.03934	2.2
67.05514	5.2
67.29704	0.7
69.03428	1.3
69.06738	0.9
69.07075	13.7
70.06590	1.5
70.67422	2.2
71.08624	0.8
74.94064	0.7
77.03935	1.2
77.19039	0.7
79.05502	8.3
81.07062	35.6
83.04967	1.1
83.08614	3.2
84.08115	1.0
87.04465	1.1
91.05487	28.4
91.52027	0.7
92.90060	1.3
93.07047	10.8
95.08613	21.7
97.02882	2.1
98.20820	1.0
98.98472	28.3
99.28522	0.8
103.05458	1.9
104.06257	1.1
105.03425	1.0
105.07037	53.7
107.04956	0.9
107.08601	14.1
109.06554	0.8
109.10173	1.3
111.04453	0.8
115.03959	0.7
115.05469	13.6
116.06226	1.3
117.07038	8.7
119.04929	2.6
119.08588	95.5
120.08918	2.2
121.10143	1.9
127.03912	2.3
128.06252	1.1
129.06989	4.7
131.04941	1.4
131.08592	9.5
132.05736	3.9
132.09300	1.3
133.06531	1.8
133.10139	100.0
134.10481	2.0
134.28279	0.8
134.99655	0.7
142.07800	2.0
143.04948	2.3
144.05699	2.9
144.10204	2.2
145.10135	7.3
146.10922	2.7
147.04402	2.0
147.08055	3.2
147.11700	17.7
151.93803	1.4
157.10127	3.1
160.05214	21.1
160.12488	3.1
173.13303	1.5
175.03879	1.7
175.07545	26.8
175.11232	10.3
175.14835	82.0
175.18860	6.0
176.10707	1.2
176.12862	0.8
176.15225	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1484
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03946	1.3
53.55016	0.6
55.05516	7.4
55.97026	0.6
57.07080	1.0
67.05515	5.4
69.06722	1.2
69.07076	14.0
69.32577	4.9
79.05502	6.3
81.07070	31.6
83.08659	3.7
91.04908	0.9
91.05487	17.5
91.06015	1.3
93.07055	10.2
95.05003	1.0
95.08622	22.8
98.98482	2.2
99.28541	0.6
103.05465	1.6
104.06317	0.7
104.34743	0.6
105.07045	49.4
107.08607	13.3
109.10228	0.8
113.46022	0.6
115.05445	1.0
117.07050	3.6
119.08595	87.4
120.08892	1.1
121.10197	1.7
131.08582	7.3
132.09355	1.1
133.10147	100.0
134.10510	2.0
135.11844	0.8
145.10141	6.4
146.10912	2.3
147.11717	14.9
160.05174	0.9
160.12508	2.7
173.13332	1.8
175.07608	1.7
175.14845	81.9
176.15218	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.6
55.05519	9.2
57.07079	1.2
60.85448	1.1
65.72881	0.8
67.05499	3.2
69.07076	16.4
70.99891	1.8
71.87996	0.9
77.50077	0.9
79.05502	6.9
81.07063	36.7
83.08599	2.7
91.04977	1.4
91.05493	19.4
93.07051	14.3
95.08620	24.2
98.98461	4.3
103.05488	1.8
105.07040	52.6
107.08606	14.0
115.05449	1.5
117.07034	5.5
119.04910	1.1
119.08591	100.0
120.08906	1.5
121.10125	2.8
127.26168	0.8
127.86428	0.9
131.08597	9.0
133.10144	93.0
134.10408	1.6
145.10120	4.9
146.10898	4.2
147.11705	14.4
148.15051	0.9
151.98192	1.0
160.05219	2.0
160.12505	3.1
173.13232	2.4
175.07619	4.0
175.14841	96.6
176.15157	2.3
184.35904	1.2
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
55.05511	9.6
57.07075	1.3
67.05493	2.9
69.07071	22.3
71.13543	1.1
71.13866	1.1
79.05492	3.8
81.07057	10.6
83.08630	5.2
91.05476	12.8
93.07034	3.7
95.08608	5.1
98.98486	4.6
100.93121	0.9
105.07036	28.0
107.08583	6.8
115.05445	3.4
117.07014	4.5
119.08588	98.4
120.08883	1.1
121.10186	2.1
131.08539	4.4
133.10136	82.2
134.10445	1.7
135.11665	1.2
145.10129	6.6
146.10828	1.5
147.11687	13.9
160.05225	2.2
160.12483	5.3
173.13234	2.4
175.07539	3.3
175.14832	100.0
176.15170	4.1
179.97748	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03941	0.6
55.05505	0.7
57.07075	0.9
62.14154	0.4
65.23838	0.3
69.07060	1.1
70.24091	1.4
79.05485	2.8
81.07064	0.6
91.04968	0.6
91.05487	6.5
93.07058	0.9
95.08603	1.0
98.20882	0.4
98.98470	8.4
103.05440	1.6
105.07035	100.0
106.07381	1.3
107.08583	0.9
116.99542	0.4
117.07069	1.8
117.07741	0.3
119.08586	68.1
120.08926	1.0
129.07021	0.4
131.08559	1.1
133.06541	0.6
133.10138	33.1
134.10492	0.6
142.34412	0.3
144.10234	0.5
145.10123	1.0
147.11711	5.5
157.10178	0.5
173.13277	0.5
175.07469	0.5
175.11266	1.5
175.13330	0.5
175.14838	11.1
187.56152	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.05521	9.1
57.38968	1.0
57.60993	0.9
65.03931	1.1
67.05509	5.2
69.06792	1.0
69.07079	12.4
70.67260	2.5
70.67619	2.1
79.05508	8.9
81.07066	31.9
83.08622	2.4
91.05489	19.6
93.07050	13.6
95.08615	23.8
96.04462	1.4
98.98472	6.9
103.05477	2.7
105.07043	50.6
106.07285	1.1
107.08601	13.1
112.02198	1.1
115.05440	2.4
117.07025	7.1
118.07770	1.2
119.08590	95.0
121.10150	3.3
131.08585	10.8
132.09351	1.4
133.10141	100.0
134.10587	1.2
145.10155	5.9
146.10909	2.1
147.08035	1.2
147.11685	14.9
160.05203	3.3
160.12454	2.6
173.13293	2.3
175.07556	5.3
175.11263	3.3
175.14838	88.8
176.15147	1.6
176.94402	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.4
55.05493	0.3
56.96563	1.9
57.03436	1.3
60.05654	25.4
68.05042	0.4
69.03439	1.0
69.21304	3.4
70.06598	100.0
71.04997	1.7
71.06934	0.6
72.08163	4.4
73.02923	0.8
79.67554	0.3
80.16515	0.4
82.99854	0.5
84.08154	2.7
85.01427	1.5
85.02924	0.7
87.04470	0.4
88.07648	0.7
97.02898	0.8
97.07658	0.7
98.06075	1.0
98.97591	1.1
98.98483	1.1
101.00887	4.4
103.00632	0.5
103.02457	2.5
111.22784	0.4
112.06834	0.6
112.07617	11.9
112.08726	3.1
113.07188	0.4
114.10332	0.8
115.02452	0.9
115.08714	1.1
116.07104	25.3
119.01928	7.3
121.01704	0.5
121.03489	0.3
127.03972	0.4
128.98758	0.3
129.07393	0.3
130.06552	1.3
130.08702	1.1
130.09763	9.5
130.12277	0.7
131.01923	0.4
132.02100	3.9
132.04475	1.4
133.03479	5.4
137.02965	1.3
138.53506	0.4
145.03490	1.9
151.04562	1.4
157.03476	1.2
157.10837	0.9
158.06044	1.5
158.08034	0.7
158.09248	6.1
161.03000	1.0
163.04529	0.8
166.04073	0.4
170.58560	0.3
174.03725	0.4
174.99136	0.4
175.04552	6.3
175.05980	0.7
175.11938	14.6
176.01146	0.5
176.04535	0.4
180.74457	0.4
193.00185	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1192
Annotation	D-Arginine
Peak:m/z	Relative Intensity
55.01880	0.7
55.05506	0.9
56.96571	20.6
57.03440	1.5
59.05003	0.4
59.25362	0.4
60.05653	34.9
62.18406	0.4
67.05531	0.4
68.05046	0.6
69.03442	2.4
69.07073	0.7
70.06597	100.0
70.55378	1.1
70.98166	0.4
71.04997	2.3
72.08159	5.4
73.02930	1.3
74.97635	0.5
77.00874	0.4
81.03439	1.3
82.02956	0.7
82.99849	0.6
84.08156	1.8
85.01405	2.1
85.02914	2.0
86.09747	0.4
87.04481	0.7
88.07642	0.6
91.05514	0.5
92.43112	0.4
94.06579	1.1
97.02898	3.3
97.07658	0.7
98.06094	0.8
98.97580	6.2
98.98487	2.2
99.04472	0.7
101.00893	5.8
103.00648	2.2
103.02465	3.3
103.05478	0.6
104.05000	0.7
104.48631	0.4
105.07124	0.5
108.18071	0.4
109.02884	0.6
110.97578	8.0
112.07612	1.0
112.08752	4.3
112.99188	0.4
113.00889	0.9
114.10297	0.8
115.02431	1.5
115.05457	0.6
115.08700	1.1
116.07104	24.5
116.97262	0.5
116.98652	2.0
117.02081	0.6
119.01926	11.8
119.08584	0.4
120.02021	0.5
121.01660	2.2
121.03488	0.7
123.44286	0.4
127.02454	0.5
127.03881	0.4
128.02344	0.4
128.98610	6.6
130.06538	19.2
130.08734	0.4
130.09764	10.9
130.12297	0.6
131.01920	1.5
132.02104	0.5
132.04463	18.2
132.98120	0.9
133.01675	0.4
133.03474	9.9
133.05190	0.5
133.10078	0.5
137.02948	2.7
137.04483	0.8
139.02585	0.4
143.01909	1.3
145.01733	0.5
145.03471	2.6
146.99667	2.5
147.03241	0.6
150.99181	0.7
151.04530	1.6
156.98161	5.1
157.03488	1.3
157.07608	6.6
157.10916	0.6
158.06021	19.4
158.07980	0.8
158.09259	7.6
158.99704	0.7
161.03006	1.5
163.02838	0.6
163.04527	0.8
171.01466	0.7
173.03052	0.5
174.97961	0.3
174.99167	20.2
175.04533	13.0
175.06169	1.2
175.08669	3.3
175.11925	21.1
177.00784	0.5
187.04587	1.6
193.00220	12.0
193.07481	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.112
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
50.84906	0.9
53.03952	1.2
55.01860	1.7
55.05511	2.5
56.96572	8.6
57.03442	95.6
67.05499	2.2
67.19159	1.0
67.31642	1.1
69.03427	2.0
69.07066	1.8
69.47992	7.4
70.06577	1.3
72.42399	0.9
74.93175	2.4
79.05482	3.1
81.07043	4.6
83.04971	1.5
83.08617	1.0
84.08164	1.1
85.06532	1.8
87.04478	1.2
91.05487	16.2
92.90081	3.5
93.07044	2.1
95.08615	3.1
97.02886	4.4
97.08453	1.5
98.03710	1.3
98.98477	100.0
103.05405	1.2
105.06393	1.3
105.07048	16.3
107.02580	0.9
107.04913	1.2
107.08623	1.9
115.03895	1.5
115.05446	1.8
116.99490	2.1
117.07027	5.5
119.04936	2.2
119.08592	62.0
120.08885	1.4
121.06462	1.3
127.03941	2.4
129.06999	3.9
129.11086	1.9
130.06506	1.3
131.06990	1.0
131.08580	3.4
133.06442	3.5
133.10144	14.9
134.01231	1.2
142.07761	4.5
144.10182	2.7
145.10118	1.7
146.07234	2.2
147.04404	1.4
147.08105	4.9
147.11690	6.1
151.93835	3.8
152.06006	1.6
157.04276	1.5
157.10168	7.0
160.05171	2.2
160.08794	1.2
163.06989	1.4
175.07571	3.8
175.11197	39.9
175.12863	2.0
175.14778	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	175.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
53.90062	1.2
55.01880	1.1
55.05515	2.2
56.96566	9.3
57.03441	92.3
58.33880	1.1
61.02926	1.4
67.05495	4.5
69.03430	2.3
69.07056	4.9
69.17990	2.4
69.18391	8.7
70.06564	1.4
74.93159	3.3
79.05499	3.5
81.07056	4.7
83.04987	1.6
84.08165	1.4
85.06548	2.7
91.05492	21.2
92.90081	3.5
93.07066	2.5
95.04964	1.8
95.08597	3.2
97.02899	2.8
97.08504	1.8
98.98474	100.0
103.02330	1.4
103.05429	1.8
105.07027	13.3
107.04974	1.6
107.08566	2.2
111.04424	2.6
115.03915	2.2
115.05457	2.5
116.00195	1.4
116.99524	1.8
117.07020	5.9
118.07822	1.5
119.04961	2.9
119.08589	71.9
120.08855	1.4
121.06554	1.7
127.03958	2.4
128.06258	2.0
129.05446	1.0
129.06990	4.0
129.11046	2.6
131.08549	3.0
133.06483	4.7
133.10135	18.0
133.92802	1.4
140.01035	1.2
142.07840	6.4
144.10094	2.0
145.10095	1.4
146.07227	1.5
147.04387	1.5
147.08032	4.8
147.11703	7.2
151.93889	3.6
152.05968	1.6
157.04251	1.5
157.10101	7.0
160.05208	2.5
160.08873	2.8
161.03568	1.3
171.93552	1.1
175.03889	2.6
175.07593	3.7
175.11195	39.4
175.12859	2.0
175.14810	17.3
176.11424	1.4
176.12816	2.2
183.67474	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0869
Annotation	(Indol-3-yl)acetamide
Peak:m/z	Relative Intensity
54.43725	0.4
55.01877	0.5
55.05524	0.4
56.96567	4.2
57.03423	0.4
60.05652	12.6
60.56024	0.4
61.02928	0.5
62.94925	0.5
63.98552	0.4
69.03419	1.4
69.07066	0.7
70.06258	1.9
70.06593	39.9
70.98109	0.6
71.04991	1.2
71.06920	0.5
72.08150	2.0
72.18517	0.5
73.02923	0.5
75.62565	0.4
81.03390	0.6
82.02946	3.8
84.08160	0.5
84.95991	0.6
85.02906	0.8
86.09702	2.7
87.04430	0.7
91.05477	0.9
93.05778	0.4
94.06574	4.8
95.04975	0.8
97.02912	1.4
98.21441	0.5
98.97604	6.1
98.98476	4.7
99.04454	0.8
103.02403	0.6
103.05460	2.2
104.04977	3.5
110.19066	0.4
110.97606	1.2
112.07594	1.8
112.08722	0.7
115.05461	2.2
115.08702	0.6
116.07096	9.5
116.98631	1.5
119.01881	2.0
119.08587	0.6
127.03915	0.6
128.02345	1.2
128.98625	0.8
130.06537	95.7
130.09727	4.5
131.06853	2.3
132.04462	87.7
132.95842	0.7
133.03419	1.1
133.04784	1.1
140.04942	0.5
145.03394	0.5
146.05992	0.5
147.09138	1.2
156.03450	0.6
156.06857	0.9
157.07626	38.1
158.06024	100.0
158.09262	2.2
158.99663	0.8
159.06361	2.0
174.99124	0.6
175.04541	1.1
175.08691	18.9
175.11923	6.6
175.14775	0.5
187.02882	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0756
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
55.01868	1.3
55.05514	5.0
56.96553	1.9
65.03951	1.3
67.05504	2.2
69.03440	0.9
69.06780	0.9
69.07071	10.1
70.06596	2.1
75.11682	0.8
79.05490	3.0
81.07067	9.8
83.08603	2.3
85.02939	0.8
89.03938	1.0
91.05492	22.9
93.07059	4.6
95.08630	5.4
97.02895	1.4
98.98471	21.2
103.05447	2.3
104.06195	1.5
105.03417	1.2
105.07039	24.0
107.08575	5.5
107.66501	0.9
111.04510	1.3
115.05460	44.8
116.06239	4.1
117.07023	14.9
119.04949	4.2
119.08593	51.9
120.08835	1.0
121.10084	2.0
127.03952	1.2
128.06229	2.8
129.07034	5.7
131.04982	2.1
131.08536	5.3
132.05714	11.8
133.10141	50.7
143.04945	11.8
144.05693	11.1
145.06534	1.1
145.10136	3.9
147.04417	2.4
147.08060	6.3
147.11703	11.2
155.06047	1.5
157.10120	2.4
160.05206	79.0
160.12477	1.9
161.05696	2.8
173.13336	1.5
175.07558	100.0
175.11061	6.0
175.13312	2.1
175.14841	42.6
176.08003	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	174.1491
Annotation	9-Aminononanoic acid
Peak:m/z	Relative Intensity
55.01868	4.1
55.05263	1.6
55.05513	19.8
56.05031	2.3
56.96576	0.9
57.03426	3.3
57.07069	2.7
59.05022	1.9
60.04509	1.9
61.99539	1.0
62.99116	0.9
63.43647	1.1
67.05522	5.7
67.28879	1.1
68.05021	1.1
69.03442	2.0
69.07074	36.0
70.02121	2.9
70.06590	1.3
70.95888	6.5
72.93798	8.5
73.06550	1.3
73.93838	1.4
79.05490	7.1
81.05859	1.2
81.07072	8.8
82.06587	0.9
83.04998	6.0
83.08631	1.4
84.04505	1.9
84.05326	1.2
84.08112	0.9
86.06071	1.1
87.04473	1.1
89.71418	0.8
90.94832	2.1
91.05482	3.6
93.07053	16.1
95.08612	10.5
96.04487	2.1
96.08146	10.6
97.02878	3.0
97.06540	7.5
97.10182	13.5
98.98466	9.3
100.07637	1.1
101.06005	2.7
102.05552	4.0
102.09165	1.7
105.07042	1.8
109.10123	1.0
111.04473	1.2
111.11719	2.0
111.98454	5.6
112.04810	2.2
113.28038	0.9
114.05517	1.0
114.09193	1.0
115.03957	1.6
118.06510	2.3
119.08569	3.9
120.21076	1.0
121.10152	9.0
122.09475	1.0
128.04994	1.1
128.07079	1.6
128.10735	13.0
129.99483	2.1
131.08542	1.6
131.97447	1.2
132.08943	1.4
132.94858	1.4
132.95840	18.6
133.10136	2.6
138.12717	1.6
139.11163	5.0
141.11523	0.9
144.08894	1.3
146.06018	5.9
147.11707	1.1
149.98499	1.0
150.96899	19.4
155.97427	4.1
156.13850	100.0
157.14188	1.1
159.11383	1.1
173.98495	3.0
174.05544	3.6
174.08829	2.2
174.11395	12.3
174.12779	3.7
174.13570	2.1
174.14906	27.5
174.16447	1.5
175.07486	1.9
175.14851	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	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03920	1.1
55.05272	0.9
55.05515	13.1
55.93492	0.6
56.96568	5.3
59.04991	2.2
65.03934	1.0
67.05507	3.6
68.81868	0.5
69.03443	0.8
69.07081	0.9
70.94469	0.6
70.94800	1.1
72.93791	6.2
76.02225	0.9
77.77238	0.6
79.05503	2.7
79.05908	0.6
81.06680	0.5
81.07069	4.5
83.04987	13.2
85.02903	0.6
87.04498	0.7
89.02401	0.9
90.90398	2.9
90.94852	5.7
91.04966	0.9
91.05490	11.5
91.54365	0.6
93.07038	1.4
95.08615	1.9
96.08115	1.5
98.97594	1.6
99.04452	1.0
101.06031	7.1
103.03279	1.0
103.05470	1.2
105.07044	15.1
111.04454	13.2
112.99149	3.2
113.05991	1.2
113.96400	0.9
115.05473	4.0
116.06260	2.7
117.07028	9.2
119.08590	14.5
127.07577	2.1
128.06207	2.4
128.10719	1.5
129.05540	3.2
129.07018	10.8
130.07782	4.8
131.00186	3.5
131.08578	73.3
131.92992	0.9
132.08913	1.1
132.95737	0.7
133.10120	2.3
142.07867	0.5
143.08568	21.6
144.05641	0.7
144.09358	7.7
145.06473	2.8
145.10138	34.1
149.01231	3.8
149.94017	1.3
149.96112	2.7
155.03325	0.7
155.05978	0.8
155.07036	7.8
155.08510	1.8
156.09370	1.5
157.10136	1.8
158.07356	4.4
158.10924	32.1
167.97180	1.1
171.11708	2.6
173.02319	1.1
173.05988	1.8
173.08153	12.6
173.09660	12.2
173.13274	100.0
174.11186	1.1
174.13667	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.8
53.08943	0.4
55.05515	6.2
56.96577	2.2
57.07086	0.5
59.05000	1.4
60.96467	0.4
67.05505	3.3
69.03402	0.4
69.07081	0.5
69.42429	3.1
71.05035	0.4
72.93781	2.5
76.02249	0.5
79.05494	2.1
81.07055	2.8
83.04985	5.9
87.04485	0.5
89.02392	0.7
90.90401	1.1
90.94857	1.8
91.05485	10.3
93.07045	1.0
95.08629	0.6
96.08102	0.8
98.21486	0.8
98.97591	1.6
99.04438	0.7
101.06021	4.3
103.03275	0.8
103.05499	0.9
105.07037	10.8
107.08577	0.5
111.04447	8.1
112.99157	2.8
113.06036	0.9
113.96429	0.6
115.05473	3.2
116.06258	2.4
117.07028	6.1
118.06584	0.5
118.43697	0.4
119.08586	15.5
127.07568	0.6
128.06241	1.7
128.10710	0.5
129.05525	0.9
129.07011	11.1
130.07788	3.6
131.00175	3.1
131.08575	74.5
131.93001	0.5
132.08968	1.3
133.10129	2.6
142.07788	0.8
143.08568	21.6
144.09351	9.5
145.06480	1.6
145.07674	1.0
145.10129	32.1
149.01190	1.4
149.94154	0.6
149.96185	0.5
155.05946	0.9
155.07054	4.4
155.08546	1.5
156.09355	1.5
157.10143	1.3
158.07292	4.4
158.10922	33.1
159.11209	0.7
167.97310	0.6
171.11667	2.8
173.02351	0.8
173.08162	6.3
173.09642	10.4
173.13268	100.0
174.13620	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03921	0.5
55.05511	7.0
57.07072	1.8
59.04995	1.4
59.54176	0.5
65.03944	0.6
67.05507	3.7
69.07068	0.9
71.06197	1.4
71.57328	0.5
72.12635	0.5
79.05480	3.5
81.07070	3.7
83.04991	5.9
86.86012	0.5
87.28976	0.5
89.03922	1.3
90.90391	0.5
91.05486	16.3
93.07051	3.1
95.05000	0.8
95.08601	1.1
96.08144	1.4
99.04436	0.7
101.06014	5.2
103.03297	0.9
103.05459	0.7
105.07037	12.5
107.08644	1.0
111.04440	7.7
113.06024	0.8
115.05450	2.3
116.06240	2.2
117.07027	16.5
118.06522	0.6
119.08583	4.9
126.70146	0.6
127.07584	0.8
128.10721	1.2
129.05479	2.3
129.07002	5.6
130.07819	2.4
131.08574	100.0
132.08940	1.6
143.08566	3.9
144.09352	2.6
145.06506	0.8
145.10129	21.7
146.10600	0.6
147.06396	0.5
149.94057	0.5
152.28410	0.5
155.07050	5.3
158.07275	1.3
158.10915	4.4
171.11682	1.6
173.05887	1.2
173.08286	7.0
173.09747	1.7
173.13271	78.8
174.11365	1.1
191.03438	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03946	0.6
55.05511	14.4
56.96568	10.2
57.03429	0.7
57.07084	1.4
57.81494	0.5
59.05000	2.2
65.03948	0.7
67.05507	6.6
68.05828	0.8
69.07081	0.7
70.98128	5.0
71.43947	0.9
72.93788	5.1
73.02943	0.8
76.02236	1.1
79.05486	3.9
81.03422	1.3
81.07048	6.6
83.04985	14.1
83.57043	0.5
85.06561	1.4
87.04469	1.3
88.07628	2.2
88.99174	2.0
89.02405	0.8
89.07967	1.3
90.90379	5.7
90.94832	4.1
91.05486	12.6
93.07050	1.8
95.02600	0.6
95.04951	0.6
95.08615	1.7
96.04486	0.8
96.08147	2.5
96.08840	0.5
97.02882	0.7
98.49628	0.6
98.97607	0.8
99.04466	1.1
100.02476	1.0
101.06020	10.5
102.05572	0.7
102.09200	1.0
103.03297	2.0
103.05487	0.6
103.09541	0.7
105.07043	12.0
107.08613	1.0
108.91463	0.7
108.95882	0.8
111.04449	14.4
113.06026	1.5
113.96423	1.1
115.05450	2.9
116.03077	0.9
116.06265	3.0
117.07030	7.4
118.06557	1.1
119.08587	14.9
120.05160	3.6
121.10074	0.6
122.04910	2.8
126.05199	1.1
126.06008	0.7
127.07564	1.5
128.06200	1.9
128.07043	0.6
128.10750	3.0
129.05563	7.1
129.06996	12.1
130.06535	1.3
130.07829	3.4
131.00153	1.1
131.08571	83.5
131.93011	1.9
132.08905	1.2
133.10129	2.0
134.04866	2.8
135.05638	2.6
137.05965	0.8
141.02104	0.6
141.04663	0.6
141.05666	2.5
141.06886	0.7
142.07506	0.7
143.05435	3.7
143.08565	26.1
144.09343	7.3
145.06544	1.0
145.07634	1.4
145.10127	28.2
146.05887	0.7
146.10471	1.0
149.94052	5.2
149.96118	1.9
150.02460	1.0
150.06194	9.3
150.56334	1.3
152.56453	0.5
155.03503	0.9
155.05923	0.8
155.07065	9.3
155.08426	1.4
156.09296	1.2
157.10130	2.0
158.07269	1.8
158.10918	39.5
159.03108	1.6
159.06738	1.8
159.11600	1.8
161.57002	1.6
167.97183	1.2
171.11688	2.6
172.95695	0.6
173.04678	0.7
173.05933	0.9
173.08157	13.3
173.09668	5.6
173.13266	100.0
173.17314	9.6
174.11238	1.3
174.13623	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0654
Annotation	AC1OCV3S
Peak:m/z	Relative Intensity
51.96970	0.5
52.35787	0.5
53.03955	1.1
55.01867	3.5
55.05509	3.1
56.96561	2.1
57.09877	0.5
65.03947	28.9
67.05502	2.0
68.99796	10.6
69.03432	2.1
69.67043	3.3
70.94270	0.7
72.04527	1.6
73.54460	0.6
75.27589	0.6
79.01865	1.2
79.50714	0.5
80.44288	0.4
81.03427	4.6
83.01363	0.6
83.04991	11.2
83.08640	0.5
89.07172	1.0
93.03411	13.4
95.04924	0.7
96.02132	2.1
97.02899	1.2
98.21457	1.1
110.03622	0.6
111.04452	87.2
112.04803	1.0
119.55966	0.6
121.02924	1.2
121.03989	8.7
123.04473	0.7
127.03952	0.7
139.03912	100.0
140.04265	2.1
145.02191	0.7
168.02585	1.0
171.02933	0.6
171.06572	5.0
177.03099	1.2
184.00453	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
55.01874	0.5
56.05032	1.1
56.96563	0.7
57.03437	0.8
57.63523	0.4
60.99640	0.4
62.50540	0.5
63.40324	0.4
63.42055	0.4
68.05028	5.1
69.03435	3.9
70.61496	1.3
70.61849	0.4
71.04974	0.4
73.95432	0.5
79.05482	1.0
81.05814	0.6
82.01481	0.7
83.06085	0.8
84.04509	2.4
85.01431	0.6
85.02905	0.7
86.06077	0.5
87.04485	0.7
88.02198	0.5
96.04499	13.1
96.06878	1.4
96.08138	2.1
97.07682	0.4
98.79012	0.5
100.02511	1.5
101.00890	1.8
102.00981	1.1
103.00604	0.4
106.06568	1.8
107.46940	0.4
109.07646	1.7
110.07202	0.5
114.05558	1.6
119.01917	2.0
120.02028	2.4
124.07597	6.5
124.08707	2.9
126.10250	0.6
133.03468	0.6
133.54607	0.5
134.06021	72.5
135.06349	1.3
136.06198	2.0
141.53230	0.4
142.08673	0.5
147.01465	0.9
147.03220	1.2
147.05064	1.0
150.05528	0.6
152.07072	100.0
153.07434	1.6
165.04163	0.6
170.02939	1.4
170.08109	13.5
170.09171	0.9
171.01283	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0814
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
51.15816	0.3
53.03960	0.8
55.01873	0.4
56.01408	0.3
56.05053	0.8
56.96584	0.7
58.06614	0.9
59.05017	0.5
68.05038	7.4
68.98327	0.4
69.03436	6.1
69.07081	0.3
77.03941	0.3
79.05499	1.4
80.05051	0.4
81.03416	0.3
81.05793	0.5
82.01463	1.2
82.06607	0.3
83.06133	0.3
84.04526	3.2
84.08165	0.3
85.01424	0.4
85.02922	1.2
86.00399	0.3
86.06088	0.3
87.04476	0.5
96.04502	20.0
96.06874	1.7
96.08130	2.1
97.04812	0.3
97.07651	0.3
100.02483	1.7
101.00906	1.4
102.01017	1.2
102.02275	0.5
103.00638	0.4
103.02469	0.4
106.06578	1.1
109.07661	1.2
112.09606	0.3
114.05555	2.3
115.02472	0.6
118.03535	0.4
119.01942	2.1
120.02043	1.7
121.01705	0.8
123.06821	0.9
124.07610	6.8
124.08694	1.3
126.10245	0.3
129.00359	0.3
131.01851	0.3
133.03487	0.6
133.86714	0.3
134.06027	67.0
135.06371	1.2
136.06201	0.7
139.00294	0.4
139.30009	0.3
142.08653	0.4
146.02985	0.6
147.01427	1.5
147.03215	0.9
147.04996	1.6
150.05389	0.3
152.07079	100.0
153.06277	0.3
153.07399	1.6
161.46265	0.3
165.04292	0.3
170.03014	0.6
170.08124	12.7
171.01358	0.8
184.20515	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	cis-2-Methyl-5-isopropylhexa-2,5-dienoic acid
Peak:m/z	Relative Intensity
51.95424	0.7
53.03942	2.1
53.35523	0.6
55.01878	1.4
55.05511	14.1
56.01553	0.6
56.96571	1.3
57.03441	3.2
57.07081	3.1
59.05012	4.7
62.74012	0.6
65.03941	2.3
67.05507	29.4
69.03430	7.4
69.07068	6.6
70.52464	1.3
70.52821	1.3
70.92220	0.6
71.04995	8.9
71.08636	1.0
79.05494	11.4
81.03423	1.3
81.07060	100.0
82.07388	1.9
83.04991	1.0
83.08609	1.7
85.02911	1.1
85.06565	3.2
85.07029	0.6
87.04489	1.2
91.05492	9.1
93.07049	28.6
95.04984	3.1
95.08611	54.0
96.04444	0.8
96.08984	0.9
97.06515	3.5
99.04464	2.3
99.08102	1.3
105.07036	8.3
107.08591	4.6
109.02892	3.1
109.06512	6.5
109.10161	12.0
111.00806	2.2
111.04469	2.1
111.08069	5.0
113.06028	2.0
121.10116	0.8
123.04449	2.3
123.08095	2.6
123.11712	33.9
124.04664	1.1
124.11996	0.9
126.03178	2.9
127.07595	1.4
131.08598	0.8
133.10133	12.0
141.05473	8.7
141.06985	0.9
142.08710	0.9
151.03941	1.9
151.11195	10.1
152.07095	1.1
154.07768	1.1
163.44217	0.6
169.05013	4.1
169.07675	2.5
169.10081	1.3
169.12300	1.9
186.87868	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0498
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
53.03952	0.8
55.01869	1.9
55.05502	1.7
55.68151	0.5
56.96568	4.3
57.07056	0.6
65.03934	2.1
67.01871	4.3
67.05511	6.2
68.99781	5.0
69.03422	1.7
69.07050	1.8
70.70868	0.9
70.71220	1.1
71.04984	1.4
79.05491	2.1
81.03429	5.5
81.07070	5.2
83.04980	4.0
83.97622	0.6
84.04506	0.8
85.02944	2.9
93.03400	1.3
93.07030	1.6
95.04984	9.6
95.08605	2.0
97.02895	1.4
97.06535	0.6
98.03659	1.0
99.04440	1.4
102.03343	0.9
105.07039	1.0
107.08608	1.4
109.02888	8.9
109.06535	2.2
109.10149	2.0
111.00810	6.6
111.04433	2.4
111.08088	2.6
113.05995	1.0
113.32705	0.6
123.04441	34.8
123.08063	2.5
123.11713	2.6
124.04702	1.5
124.07586	0.8
126.03147	10.1
127.03935	12.9
133.02872	1.3
133.06439	0.6
133.10089	0.6
134.06047	1.1
137.02362	0.6
141.05476	26.2
142.08633	0.7
145.02107	0.6
149.09874	0.6
151.03915	52.0
151.11238	1.0
151.82594	0.6
152.04221	0.6
152.07077	2.0
154.02666	1.2
154.07832	0.5
155.03412	1.4
159.75162	0.6
162.44356	0.6
163.97676	0.6
169.04977	100.0
169.07520	5.2
170.05492	2.0
170.08109	1.5
170.09550	0.7
183.84274	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	3,4-Dihydroxyphenylacetate
Peak:m/z	Relative Intensity
50.01589	0.6
51.02378	1.0
53.03949	2.5
55.01869	2.1
55.05502	0.9
56.31446	0.4
56.96567	2.0
59.81287	0.4
65.03947	3.6
67.05508	6.8
68.99802	2.2
69.03426	1.2
69.62286	0.6
69.62697	1.8
70.06588	1.4
71.04987	0.4
77.03938	5.5
78.04259	0.4
79.05483	1.2
80.64936	0.4
81.03416	3.8
81.07046	1.3
83.04988	2.4
85.02894	1.8
87.04522	0.4
93.03410	1.0
93.07034	0.6
95.04974	22.3
95.08606	0.9
96.04535	0.9
96.05282	0.4
96.08144	0.5
97.02890	1.4
98.03676	0.6
98.21483	0.8
99.04459	0.6
105.03400	12.7
105.04526	1.2
109.02882	5.8
109.06503	1.1
109.10092	0.6
110.06048	0.6
110.48962	0.4
111.00819	4.5
111.04454	2.8
111.08064	0.5
113.06006	0.7
116.14128	0.4
120.64108	0.4
123.04433	52.0
123.08085	0.7
123.11696	0.5
124.04740	1.1
124.07594	1.1
124.11237	1.0
125.02348	0.7
125.05995	1.2
126.03145	8.0
127.03899	1.2
129.94611	0.4
133.02859	100.0
134.03172	1.6
134.06023	3.4
139.03920	0.8
140.04697	0.4
141.05473	17.9
144.66672	0.4
150.46182	0.4
151.03918	17.0
151.05132	1.0
152.04314	0.6
152.07051	5.5
154.02612	1.1
155.03458	0.5
163.97681	1.0
169.03552	0.7
169.04987	12.9
169.07504	0.6
169.09822	1.0
170.08138	0.9
170.09544	0.6
170.11816	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.0
55.01871	7.5
55.05513	66.7
56.96570	10.1
57.03440	8.2
57.07070	3.4
58.74754	1.3
59.04998	8.1
65.03956	7.0
66.04699	1.5
67.05507	30.0
69.03074	1.8
69.03432	21.9
69.06729	1.2
69.07076	15.3
69.33739	10.0
70.06583	2.6
71.05001	7.3
73.02946	1.4
78.04733	10.9
79.05497	53.5
79.05964	2.6
80.05025	1.7
80.05802	1.6
81.03413	6.6
81.07057	21.9
82.06584	1.3
82.17194	1.3
83.04985	77.4
83.08151	1.5
83.08624	29.1
84.05277	1.2
84.08146	3.7
84.96040	5.6
84.99595	1.7
85.02905	2.8
85.06553	6.7
91.05486	21.6
93.03407	1.9
93.06475	2.0
93.07050	39.2
94.04221	1.3
94.06562	1.4
94.07402	1.2
95.04964	14.3
95.08617	12.2
96.04488	1.4
96.05753	1.4
97.02891	2.9
97.06528	10.7
97.10181	8.7
98.06055	1.9
98.97582	3.9
99.04445	1.6
99.08080	1.8
103.00642	15.3
103.05479	2.4
105.04523	3.8
105.07020	13.3
106.04167	5.4
107.04973	13.5
107.08601	64.5
108.04515	1.8
108.05777	2.5
108.08926	1.6
109.02872	4.2
109.06528	12.8
109.10170	16.6
110.01256	1.9
110.06049	2.1
111.02720	1.5
111.04464	9.8
111.07366	1.9
111.08089	24.4
112.08898	5.6
113.09645	2.4
116.98623	2.4
119.01830	2.2
119.04977	2.2
119.06104	1.8
119.08575	2.2
120.02022	3.3
120.08120	1.3
121.01673	58.1
121.02963	11.0
121.05590	1.6
121.06511	15.9
121.07465	2.1
121.07597	1.9
121.08436	5.7
121.10149	25.0
122.03651	1.4
122.06042	3.2
123.04438	19.7
123.08076	7.2
123.11716	9.4
124.05243	11.2
125.05978	4.5
125.09635	16.6
126.02206	1.4
126.05480	3.4
131.08571	6.7
135.04469	5.7
137.02361	1.1
137.05954	2.2
138.03075	1.7
139.01891	1.2
139.02711	18.4
139.03902	9.8
139.05841	1.3
139.07552	18.4
139.11247	2.1
140.03430	2.1
140.07047	1.5
143.03674	2.1
144.03233	35.2
147.04456	1.7
149.02351	15.1
149.04932	5.3
149.06018	6.2
149.09619	17.0
149.13234	6.8
150.02765	1.4
150.05495	3.9
151.03911	4.1
152.04732	6.9
152.05806	1.1
162.04295	11.1
167.01855	2.3
167.03416	18.9
167.07048	100.0
167.10649	13.0
167.11961	1.7
167.12999	2.1
167.14328	30.9
168.06534	3.3
168.10300	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	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
50.01596	0.5
50.77554	0.4
51.02374	0.7
52.03172	0.7
53.03962	2.6
55.01882	4.2
55.05513	3.0
56.96568	1.3
57.03438	0.5
59.05016	0.5
65.03942	3.8
66.04721	1.3
67.05508	27.7
69.03428	0.7
69.07076	1.2
69.14827	0.4
71.05003	2.4
71.06374	0.9
77.03935	1.1
78.04720	20.9
79.05498	55.2
80.05833	0.8
81.03419	2.1
81.07064	5.6
83.04993	3.1
83.08701	0.4
85.02914	1.2
91.05489	17.1
92.05826	0.6
93.03418	0.7
93.07050	26.8
94.04214	1.2
95.04974	5.2
95.08618	1.2
95.64346	0.5
96.05757	1.9
97.06544	1.1
97.10146	0.5
100.65510	0.5
103.00649	1.4
103.05489	0.9
105.03409	2.0
105.04517	1.2
105.07038	14.4
106.04195	7.8
107.04973	4.7
107.08601	93.8
108.08915	1.1
109.02878	2.1
109.06520	4.5
109.10162	0.6
110.03640	0.5
111.04475	1.2
111.08097	0.5
114.40918	0.4
116.06255	0.8
119.06115	1.0
119.08598	1.3
120.02059	1.0
121.01675	5.1
121.02868	0.9
121.06509	3.3
121.10154	17.7
121.11040	1.0
122.03685	2.6
123.04439	32.2
123.08041	1.3
124.05226	8.3
125.05994	1.1
125.09639	1.5
131.08585	9.8
134.03630	1.9
135.04430	1.7
137.02324	0.6
137.05984	1.3
139.02765	0.7
139.03889	0.5
139.07542	2.4
139.11188	0.7
144.03268	2.9
149.02344	1.8
149.05971	0.9
149.09630	15.8
151.03909	7.3
152.04698	5.7
162.04308	1.0
162.19705	0.4
166.73932	0.6
167.03406	2.2
167.07054	100.0
167.10648	2.8
168.04181	0.6
168.06418	1.0
168.07585	0.9
173.99110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(-)-Isochaminic acid
Peak:m/z	Relative Intensity
50.14041	1.2
53.03946	6.8
53.80270	1.1
54.62933	1.1
55.01854	3.5
55.05517	50.9
57.03423	2.6
64.57259	1.3
67.05508	18.6
69.03436	13.4
69.07063	4.4
70.59760	1.4
70.60102	3.0
71.04980	5.2
78.04673	2.0
79.05501	53.9
81.07061	32.3
81.62382	1.1
83.04976	6.1
84.96062	1.3
85.06546	3.5
91.04913	1.2
91.05487	45.1
93.07049	100.0
95.04980	10.9
95.08618	6.2
97.02901	7.7
97.06537	8.3
99.04449	2.9
103.00667	2.0
103.05476	1.4
105.07045	17.2
107.04939	7.0
107.08604	18.7
109.06515	5.2
111.04434	5.1
111.08100	3.3
113.06015	7.7
115.05476	1.2
116.06231	5.3
119.08584	2.6
121.01691	4.3
121.06515	43.4
121.10155	61.7
123.04427	4.2
123.08062	4.2
123.11689	2.6
124.05247	2.1
125.05988	4.9
129.07002	4.9
131.08580	72.5
133.07599	1.7
139.07550	2.8
139.11171	4.8
144.03238	2.8
149.09630	70.2
152.04625	1.2
167.07053	13.3
167.10680	17.0
167.14354	1.8
185.91801	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03932	2.3
55.01864	1.9
55.05507	3.5
55.82555	0.8
56.96571	13.7
57.03431	1.0
57.07059	2.3
59.05006	6.7
65.03932	1.6
67.05517	5.6
68.99783	1.1
69.03428	1.7
69.07069	3.2
69.71636	4.5
72.47936	0.7
73.02914	4.9
73.68986	0.8
74.97591	1.7
78.04706	2.6
79.05496	26.7
79.35334	0.7
81.07059	37.0
83.04968	2.0
85.06538	2.1
90.02303	3.4
91.05488	8.0
91.32549	0.7
93.07048	28.7
95.04958	2.2
95.08610	20.3
97.06523	5.6
98.02056	2.2
99.00269	1.6
99.02843	13.0
99.52970	1.0
103.00641	2.1
103.05457	8.2
104.06293	1.0
105.07030	17.2
107.04945	3.6
107.08600	14.2
108.03362	3.8
109.06518	2.2
109.10173	0.9
111.04475	1.3
111.08084	2.2
112.01794	1.8
119.08562	2.9
121.01643	3.1
121.02412	3.7
121.06551	3.7
121.10148	100.0
122.10470	1.4
123.04417	4.0
123.08069	3.4
123.11699	14.1
124.05173	1.4
125.05992	8.1
125.09631	1.7
131.08572	1.7
133.07607	2.4
137.06078	0.8
139.07541	2.1
139.11200	12.8
144.03227	2.3
149.02396	1.1
149.09639	10.9
152.42322	0.8
167.03438	1.8
167.07048	12.4
167.08493	1.1
167.09164	1.1
167.10654	11.8
177.02242	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	Piquerol A
Peak:m/z	Relative Intensity
51.02359	1.8
53.03950	8.5
55.01870	5.9
55.05519	67.3
55.38802	1.3
56.96553	5.3
56.96818	1.2
57.03423	3.7
57.07069	2.2
59.04989	1.3
65.03934	2.6
67.05512	23.9
69.03432	16.4
69.07066	5.7
69.42492	5.2
69.42919	4.9
70.06641	1.6
70.40228	1.4
71.04986	6.0
77.03947	1.5
78.04707	7.0
79.05502	54.3
79.53732	1.4
81.03419	2.8
81.07066	31.3
83.04990	22.2
83.08621	5.5
85.06545	4.8
91.05491	47.0
93.03393	2.1
93.07055	100.0
94.07368	1.8
95.04974	17.0
95.08607	6.2
97.02895	8.1
97.06549	11.7
97.10162	1.6
98.64440	1.5
99.04462	3.7
103.00655	7.5
105.03410	1.5
105.04495	1.8
105.07049	17.4
106.04179	3.7
107.04954	6.2
107.08597	23.2
109.06518	5.8
109.10164	4.3
111.04472	6.6
111.08102	9.0
113.06020	9.1
114.67657	1.3
116.06260	6.5
119.08575	2.7
121.01698	18.4
121.02666	2.2
121.02837	2.2
121.06519	36.5
121.08410	3.0
121.10156	60.9
121.11038	3.0
123.04434	12.3
123.08068	4.9
123.11712	3.6
124.05215	5.7
125.05977	4.8
125.09634	3.2
129.06995	3.9
131.08585	79.2
139.02673	6.8
139.07585	6.6
139.11198	3.9
144.03250	10.9
147.08284	1.4
149.02342	4.7
149.06009	3.0
149.09634	75.7
149.13255	2.6
151.03917	2.8
152.04692	3.3
162.04329	3.6
167.03381	4.1
167.07059	43.5
167.10674	18.5
167.11922	2.6
167.14323	5.0
168.06471	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.76091	0.8
53.03948	5.4
55.01863	3.3
55.05273	1.2
55.05515	16.1
56.96573	9.6
57.07059	2.1
59.04993	3.0
65.03924	2.0
67.05510	8.8
68.82717	0.8
69.03419	4.0
69.07072	46.6
69.96897	3.2
77.03914	1.3
78.04718	8.8
79.05497	26.2
81.03407	1.4
81.07063	16.7
82.42916	1.0
83.04987	5.7
83.08626	4.4
84.93829	1.0
84.96040	13.0
91.05487	15.7
93.07048	82.2
94.07380	1.1
95.04983	7.4
95.08613	14.7
96.05748	1.4
97.06523	8.6
97.10162	2.3
100.02488	1.0
100.11254	1.8
102.97070	1.0
103.00642	9.9
103.05460	3.1
105.04504	2.9
105.06394	1.4
105.07040	22.2
106.04165	3.8
106.07811	1.2
107.04948	4.8
107.08590	8.1
109.02887	1.3
109.06519	3.8
109.10140	2.0
111.04430	2.8
111.11729	6.4
119.08559	4.7
119.97318	2.1
120.02045	1.5
121.01673	33.1
121.06505	5.1
121.08369	2.4
121.10147	100.0
122.05975	1.3
122.10522	2.1
123.04441	12.9
123.08067	5.9
124.05193	4.9
125.06021	1.8
125.09650	2.0
126.02229	2.1
126.06161	1.0
128.97845	3.6
129.48064	1.1
133.07603	2.7
137.98357	1.1
138.03069	1.1
138.06682	0.9
138.48518	0.9
139.02724	10.3
139.03818	1.9
139.07594	6.1
139.08563	1.4
139.11182	3.7
143.96762	1.5
143.99712	1.0
144.03224	19.2
149.02332	4.0
149.05981	2.1
149.09618	14.2
149.13312	1.1
151.03911	2.9
152.04691	3.7
153.77994	0.9
162.04318	6.6
163.03915	2.9
167.03491	4.0
167.07050	53.1
167.08444	2.4
167.10677	31.7
167.14352	1.9
168.06526	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02395	0.5
53.03952	2.2
55.01874	2.2
55.05503	1.1
56.96548	1.3
57.03437	0.6
65.03951	0.9
66.04725	1.3
67.05179	0.7
67.05515	11.0
69.03419	0.7
69.07057	1.1
69.62775	2.7
71.04987	0.8
77.03939	0.9
78.04269	0.9
78.04722	18.0
79.05502	25.1
81.03413	0.8
81.07082	3.1
83.04968	1.5
84.96042	0.4
85.02898	0.4
87.86655	0.3
91.04974	0.7
91.05495	7.5
93.03426	0.6
93.07056	12.2
94.04182	1.3
95.04990	3.8
95.08620	1.2
96.05743	1.4
97.06512	0.6
103.00644	1.5
103.05511	0.5
103.67760	0.4
105.03386	1.2
105.04525	0.7
105.07045	7.2
106.04192	7.3
107.04973	3.9
107.08609	38.7
108.08949	0.8
109.02887	1.5
109.06522	1.8
109.10149	0.5
111.04449	0.6
111.08044	0.7
119.06077	0.4
120.02071	0.6
121.01700	3.2
121.02876	0.7
121.06537	1.9
121.10171	9.1
122.03658	2.0
123.04444	28.3
123.08096	0.5
124.05247	8.0
125.05994	0.6
131.08589	4.1
134.03636	1.9
135.04401	1.3
137.02345	0.6
137.05951	1.5
138.03058	0.4
139.02768	0.4
139.07567	1.5
144.03279	1.8
149.02371	0.8
149.09653	6.5
150.03159	0.5
151.03925	6.4
152.04701	6.9
162.04312	0.5
167.03459	2.1
167.07059	100.0
167.10762	1.6
168.04185	0.7
168.07419	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
50.49162	0.2
52.15722	0.3
53.03947	1.4
53.87346	0.2
55.01879	0.4
55.05500	0.6
55.11148	0.2
65.01462	0.2
65.03929	0.8
66.04714	1.1
67.05519	1.4
69.03426	0.4
69.07077	0.4
71.09366	0.7
77.03937	0.4
78.04716	15.7
79.05061	0.5
79.05495	5.9
81.03411	0.7
81.07063	1.4
83.04975	0.7
91.05473	1.2
92.02739	0.3
93.03420	0.6
93.07039	1.4
94.04177	0.9
95.04992	2.5
95.08572	0.6
96.05750	1.2
97.06522	0.5
100.98146	0.3
105.03407	1.5
105.04480	0.4
105.07017	0.7
106.04177	7.3
107.04980	2.8
107.08586	3.2
108.34431	0.3
109.02879	1.0
109.06523	0.9
109.10116	0.3
111.04442	0.4
111.08097	0.6
120.02116	0.5
121.01711	0.6
121.02853	0.7
121.06501	0.6
121.10157	1.1
122.03690	1.4
123.04435	28.2
124.05237	7.7
125.09556	0.4
134.03633	1.9
135.04405	1.0
137.02351	0.5
137.05995	1.1
139.03896	0.9
139.07590	0.5
144.03238	0.4
149.02361	0.9
149.09587	0.8
149.67056	0.3
150.03117	0.3
151.03928	5.2
152.04698	5.1
165.05492	0.3
167.07048	100.0
168.04210	0.7
168.07457	1.9
180.29124	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	3-Ethoxy-4-hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.02380	0.8
53.03957	2.0
55.01880	3.1
55.05514	6.7
56.96567	3.1
57.03438	2.2
59.05017	1.0
61.02921	0.7
65.03947	5.5
65.08872	0.5
66.04727	2.4
67.05505	4.9
67.78395	0.4
68.99819	0.7
69.03418	2.6
69.07073	3.3
70.06598	1.2
71.05000	1.4
71.55165	0.6
73.02924	8.4
77.03944	0.9
78.04722	7.1
79.05499	20.1
81.03431	1.2
81.07071	6.4
83.04992	4.9
83.08646	1.9
84.96043	1.4
85.02911	1.3
91.05490	6.7
93.03419	1.5
93.07051	12.9
94.04195	8.1
94.37125	0.5
95.04977	6.4
95.08624	1.9
96.05766	0.9
97.02914	0.7
97.06541	2.7
97.10153	0.9
98.97563	4.2
102.97153	0.5
103.00637	3.9
103.05487	1.1
105.03399	0.9
105.04506	1.0
105.07042	5.4
106.04188	3.3
107.04968	7.2
107.08603	18.0
107.70765	0.5
108.08887	0.5
109.02891	1.6
109.04855	0.8
109.06525	6.6
109.10201	0.7
111.04450	4.3
111.08086	1.9
113.06047	0.7
116.97796	0.4
116.98634	1.3
117.67064	0.6
119.01877	0.7
119.04966	3.7
120.02076	1.1
121.01717	12.6
121.02881	100.0
121.06498	7.1
121.07465	1.0
121.07615	0.9
121.08462	1.6
121.10154	8.9
122.03702	14.0
122.06063	0.9
123.04447	12.8
123.08021	2.4
123.11672	0.8
124.05217	5.1
125.06022	1.9
125.09639	2.1
131.08534	2.4
134.03622	1.0
135.04420	1.5
137.05992	32.5
138.06305	1.3
139.02731	3.8
139.03915	4.9
139.04919	0.7
139.07559	5.4
139.11208	1.2
144.03220	8.2
149.02365	4.7
149.04971	1.3
149.06000	17.9
149.09641	6.9
149.13283	0.5
150.05423	0.7
151.03893	2.6
152.04709	4.3
155.07098	0.5
158.99728	0.5
162.04311	2.5
165.06609	1.1
167.03415	7.1
167.07048	80.0
167.10695	4.9
167.14354	1.5
168.07564	1.0
177.00648	0.8
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
52.03157	0.5
53.03949	3.2
53.38543	0.6
55.01862	1.7
55.05516	2.8
56.96555	0.7
57.03411	0.5
58.98546	0.4
61.14857	0.5
62.75804	0.4
65.03935	1.9
66.04726	1.2
67.05505	7.5
69.03416	1.7
69.07064	1.0
70.85220	0.7
70.85550	0.5
71.04993	0.7
77.03921	1.4
78.04712	16.6
79.05495	25.8
80.02647	0.4
80.05818	0.5
81.03426	0.9
81.07063	4.0
83.04987	3.2
83.08616	1.0
87.24747	0.5
91.05476	6.1
93.03405	1.2
93.07052	8.5
93.21736	0.5
94.04175	2.7
95.04995	4.0
95.08580	0.6
96.04515	0.5
96.05730	1.4
97.06538	1.2
97.10098	0.5
101.58247	0.5
103.00613	1.7
105.03386	2.1
105.04493	1.7
105.06443	0.6
105.07041	4.5
105.69240	0.4
106.04182	7.2
107.04961	16.4
107.08599	25.3
108.04530	0.7
109.02843	1.6
109.06523	2.9
111.04443	1.5
111.08089	1.1
120.02053	0.8
120.05255	0.7
121.01687	3.6
121.02949	1.0
121.06513	2.1
121.08443	0.7
121.10154	5.9
122.03652	3.1
122.06050	0.6
123.04435	30.0
123.08073	0.8
124.05219	11.5
125.05989	2.0
125.09639	1.2
126.02224	0.5
126.05519	1.4
131.08540	2.1
134.03648	1.3
135.04407	1.3
137.02335	0.8
137.05986	1.3
139.02765	0.9
139.03905	2.1
139.07545	1.7
144.03278	2.5
147.99335	0.5
149.02362	1.7
149.05995	0.5
149.09653	5.1
150.05559	0.6
151.03897	5.9
152.04684	8.9
162.04269	1.0
167.03400	3.2
167.07045	100.0
167.10732	2.0
168.06436	6.6
178.30917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0341
Annotation	Piperonylic acid
Peak:m/z	Relative Intensity
53.00312	1.2
55.01873	0.8
55.05519	0.8
65.03946	12.4
65.07142	0.6
67.33495	0.6
70.79536	1.5
70.79882	0.7
81.95679	0.7
84.96037	2.0
93.03412	9.1
93.07066	0.7
95.01341	1.4
97.06521	0.7
103.00652	3.3
103.01850	1.1
104.40005	0.8
111.04449	0.8
121.01663	9.1
121.02886	8.1
121.10170	1.0
122.26785	0.6
127.08399	0.7
131.01291	15.6
135.53673	0.6
139.02721	1.2
140.33679	0.7
144.03235	5.4
145.79886	0.6
147.19299	0.6
149.02353	89.9
149.34506	0.7
150.02698	1.6
151.89391	0.7
162.04289	0.7
167.03413	100.0
168.03770	0.9
168.06633	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02378	0.6
52.03156	0.5
52.28824	0.3
53.03938	1.2
55.01862	0.5
55.05501	1.0
56.96553	1.0
65.03934	1.2
66.04709	0.8
67.01866	0.4
67.05511	1.5
68.99783	0.6
69.03427	0.9
69.07056	1.2
69.53071	1.9
71.04984	0.7
77.03938	0.7
78.04715	16.7
78.42382	0.3
79.05090	0.3
79.05493	7.8
81.03439	0.9
81.07066	2.7
83.04974	1.0
83.08625	0.4
84.96033	1.2
89.14143	0.3
91.05495	2.1
93.03411	0.7
93.07057	3.3
94.04205	1.0
95.04987	2.7
95.08614	0.5
96.05737	1.0
97.02879	0.4
97.06525	1.3
98.21525	0.3
103.00683	1.6
103.05494	0.4
105.03400	1.5
105.04526	0.5
105.07042	0.8
106.03460	0.4
106.04179	7.2
107.04964	3.2
107.08593	4.9
108.08180	0.3
109.02890	2.3
109.06529	2.8
109.10184	0.4
110.03703	0.5
111.04427	0.8
111.08112	0.4
119.97313	0.4
120.02106	0.6
121.01676	3.9
121.02539	0.4
121.02911	0.7
121.06520	1.3
121.08396	0.8
121.10143	2.8
122.03654	1.7
123.04435	31.1
123.08030	0.7
124.05230	8.7
125.06017	1.0
125.09568	0.6
131.08601	0.7
134.03676	1.6
135.04404	1.4
137.02318	0.6
137.05989	1.1
138.03159	0.6
139.02744	0.8
139.07564	1.5
144.03206	2.8
147.03653	0.8
149.02348	1.2
149.09631	1.3
149.13196	0.5
151.03897	6.1
152.04704	6.3
162.04233	0.7
167.07045	100.0
168.04173	1.0
168.07443	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.034
Annotation	Piperonylic acid
Peak:m/z	Relative Intensity
53.00294	1.7
55.01870	1.1
55.05504	1.2
59.93671	0.9
61.69859	0.9
62.40222	0.8
64.08708	0.8
65.03948	13.8
66.60534	0.8
68.81366	0.8
69.07073	2.1
69.17975	9.7
79.05492	1.6
83.04976	0.9
91.05489	1.4
93.03420	8.3
93.07079	4.4
95.08618	1.5
97.06523	1.5
103.00665	1.5
103.01868	1.6
105.07013	1.8
107.08604	3.5
111.04433	1.9
121.01674	1.8
121.02903	6.1
121.10155	7.4
125.08270	1.1
131.01305	14.3
139.02686	1.1
139.07553	1.7
144.03223	1.8
149.02357	60.9
149.09657	3.2
150.02681	2.1
167.03419	100.0
167.10658	1.5
167.12941	1.8
168.03752	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02639	0.9
50.29458	0.9
51.36140	0.9
52.20625	0.9
53.03941	1.4
55.05517	6.7
55.43026	1.0
56.05033	2.3
56.96570	51.5
57.03437	1.4
65.03932	1.4
67.05516	5.0
68.05035	3.7
69.03432	35.7
69.07069	2.1
69.30688	8.9
70.06599	18.4
71.04970	1.6
74.97602	1.6
79.05490	14.1
80.05024	4.2
81.03404	1.4
81.06583	2.1
81.07061	44.8
82.06580	3.0
82.07387	1.6
83.04978	1.1
83.93056	5.3
83.97650	2.6
83.99905	1.3
84.01211	2.2
84.04523	1.8
84.08126	2.0
84.96040	6.1
86.06075	36.3
87.04485	1.9
91.05489	3.8
92.05831	3.3
92.98648	1.2
93.07057	3.7
94.06571	2.9
95.04993	3.4
95.08608	2.1
96.04507	1.8
96.05297	1.3
96.08141	24.3
96.08759	1.2
97.06528	1.6
97.96113	1.1
97.99238	1.0
98.06063	100.0
98.21498	2.0
101.00896	4.5
101.94064	1.4
101.96328	1.0
102.00950	10.7
102.02247	11.7
103.00628	3.2
103.05469	5.0
105.07066	2.0
106.06567	3.3
106.56944	1.0
107.04985	1.3
107.08607	2.1
108.04481	1.8
109.06480	1.2
110.06052	3.0
110.06843	1.1
110.09706	1.3
110.96800	7.7
111.04419	1.4
112.07619	17.0
115.02361	1.4
115.96436	1.3
119.01921	16.1
119.05020	1.5
119.95119	2.4
119.96676	0.6
119.97335	35.8
120.02013	47.1
120.03303	5.4
120.05217	5.1
120.08113	39.2
120.08794	1.0
121.01683	11.3
121.06516	3.7
121.10152	1.5
122.06088	1.2
123.04484	1.2
124.03954	2.4
124.07601	73.5
125.02546	3.2
128.97852	56.4
131.04941	1.1
131.08604	1.2
131.48123	16.1
135.98607	1.1
136.07591	4.2
137.02951	6.0
137.98381	27.7
138.03059	17.3
138.05484	3.0
138.09097	1.6
139.02724	4.1
140.48639	19.0
142.03499	6.3
142.96706	18.6
142.98970	1.9
143.00162	2.1
143.03635	38.1
144.03252	6.5
146.98895	1.5
148.03802	1.4
148.04782	11.8
148.07571	2.4
149.02361	2.1
149.49170	10.1
151.99544	1.9
160.04622	2.4
161.01228	3.0
161.04681	10.4
162.04306	1.6
163.96405	1.1
165.98369	1.6
166.05022	12.1
166.08623	13.9
166.12248	20.3
167.03410	2.2
167.07062	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	165.1276
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03941	1.8
55.01860	4.3
55.05510	8.4
56.96549	2.9
57.03443	10.6
57.07077	1.6
65.03926	2.0
67.05505	33.0
69.03085	1.0
69.03433	11.0
69.07074	9.3
69.90533	0.9
69.90833	5.3
70.84057	0.9
71.04980	3.5
72.05583	1.0
72.15633	1.1
79.05500	36.9
81.03442	2.1
81.07059	88.9
82.01420	1.7
82.99829	5.3
83.01508	1.2
83.04986	10.1
83.08609	2.3
85.02930	2.5
85.06541	5.0
91.05481	41.5
92.05813	1.0
93.07053	33.9
95.04972	12.1
95.08053	1.8
95.08611	22.0
96.08873	1.0
97.06534	11.3
99.08108	1.4
100.02479	2.0
101.00888	44.1
101.02581	2.5
105.07037	64.3
107.07888	1.5
107.08601	23.9
109.06523	15.3
109.10152	3.5
119.01927	100.0
119.04931	12.7
119.05845	1.2
119.08586	45.2
119.97353	2.4
120.02042	1.8
121.10147	44.3
123.04454	1.4
123.08078	10.1
123.11734	7.3
124.02431	7.7
126.06042	1.3
126.56176	1.2
128.97818	3.2
132.86972	1.0
137.02980	19.7
137.05977	1.6
137.09610	3.6
137.13300	2.3
137.98337	1.4
142.03506	69.0
142.96692	2.5
143.03629	2.3
145.10110	2.9
147.04427	21.9
147.11691	83.3
148.11998	2.3
160.04562	15.1
165.01883	1.4
165.05182	4.8
165.09099	2.1
165.12759	79.5
166.13141	1.8
184.42966	1.0
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
53.03936	0.2
66.94967	0.1
71.47779	0.3
77.03875	0.2
79.05495	1.2
79.97221	0.1
91.05464	0.7
93.07052	2.4
95.04979	0.2
103.05478	11.2
107.04970	2.4
107.21115	0.1
118.06519	0.1
119.07318	0.2
120.08115	100.0
121.08456	1.8
131.04938	2.1
149.06001	0.6
160.97012	0.2
166.08632	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03951	1.9
55.01871	5.2
55.05516	4.8
55.49402	0.7
56.96573	2.3
57.03440	5.0
59.05015	1.4
65.03958	0.9
67.05505	17.3
67.05824	0.7
68.99794	3.0
69.00581	0.7
69.03433	8.4
69.07068	4.5
71.04999	1.5
71.11880	2.2
73.48813	0.7
79.01853	1.4
79.05495	19.7
81.03428	4.3
81.07059	40.3
82.01444	0.8
82.99840	3.7
83.04992	5.4
85.02894	2.8
85.06551	2.3
87.10239	0.8
91.05486	20.3
92.99761	3.6
93.07049	15.0
95.04984	5.7
95.08605	10.5
97.02917	1.4
97.06529	5.3
99.00861	1.9
100.02519	1.8
101.00886	43.9
101.02586	2.2
102.00974	2.2
105.07037	26.6
107.08607	10.5
109.02853	1.3
109.06527	8.0
109.10147	2.4
117.06947	0.7
119.01923	100.0
119.04910	8.8
119.06165	1.1
119.08582	20.7
119.97327	2.3
120.02016	2.2
120.08118	1.7
121.10146	22.5
123.04439	1.6
123.08066	5.5
123.11732	4.8
124.02448	9.2
126.06047	1.3
128.97855	2.5
137.03008	18.9
137.05960	1.2
137.07945	1.2
137.09602	1.8
137.98349	1.1
141.01810	0.9
142.03503	69.4
142.07297	1.2
142.96704	1.3
143.03632	2.2
145.10124	1.1
147.04404	15.2
147.11687	33.5
148.12024	1.7
160.04564	13.7
165.01852	16.4
165.05278	8.1
165.09091	2.8
165.12753	36.4
166.08597	1.8
166.12991	0.9
183.02884	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	165.1276
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
52.49929	1.8
53.03932	4.8
55.01863	4.1
55.05507	15.7
56.96555	5.6
57.03426	7.6
57.07076	3.0
61.02926	2.3
65.03931	6.0
67.05508	65.8
69.03432	20.9
69.07059	11.4
70.88107	2.7
71.04991	8.4
79.05492	32.4
81.03422	3.4
81.07058	79.2
82.99859	3.2
83.04999	8.3
83.08583	1.7
85.02869	4.4
85.06519	4.9
85.97327	1.5
91.03953	1.7
91.05484	68.4
92.05812	2.0
93.07057	39.7
95.04981	16.0
95.08610	50.4
97.06548	4.1
99.08064	1.9
100.02554	1.9
101.00888	38.6
101.02515	1.8
103.05502	2.3
105.07037	88.1
106.06551	2.8
106.77440	1.6
107.04968	3.2
107.08607	39.6
109.06513	23.2
109.10159	16.2
117.07042	3.6
119.01927	100.0
119.04949	45.7
119.05972	2.3
119.08588	47.8
119.97324	2.0
120.01947	3.4
120.08089	4.8
120.08877	1.8
121.10149	60.8
122.07279	3.9
123.04441	3.9
123.08085	17.8
123.11724	18.4
124.02450	7.7
133.02811	3.7
137.02985	19.3
137.05994	7.0
137.07967	2.2
137.09622	46.8
137.13246	5.7
138.03064	3.0
142.03506	59.9
143.03760	1.9
145.10121	2.6
147.04414	77.7
147.08054	7.3
147.11694	69.5
147.12680	1.6
148.04733	3.4
150.10402	2.5
160.04564	16.9
165.01825	2.3
165.05612	8.5
165.06795	2.2
165.09122	15.8
165.12762	80.4
166.08696	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	165.1276
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
50.30487	0.5
51.99440	0.4
53.03948	0.7
55.05515	4.7
56.96569	0.9
57.03442	1.1
57.07079	0.5
65.03954	0.8
67.05508	3.9
69.03452	2.6
69.07067	2.9
71.04994	0.9
75.10026	0.5
79.05503	2.9
81.03416	2.0
81.07058	6.2
82.99858	1.7
83.04981	1.8
83.08624	2.7
85.02894	1.0
91.05492	8.0
93.07056	2.5
95.04977	100.0
95.08625	4.9
96.05298	0.9
98.20611	0.8
99.04424	0.6
100.02479	0.7
101.00886	14.3
101.02571	1.1
105.07024	4.3
107.05006	0.6
107.08606	9.2
109.06527	20.0
109.10183	3.1
117.07015	0.6
119.01931	33.4
119.04947	12.0
119.08588	4.6
119.97353	1.1
120.01977	1.1
120.08100	0.7
121.10150	2.2
122.07257	0.9
123.04435	1.2
123.08064	2.1
123.11696	1.6
124.02490	2.4
128.97813	1.1
137.02982	5.6
137.05988	0.9
137.09628	4.2
137.13263	1.5
142.03508	23.3
143.03607	0.7
147.04428	20.4
147.11705	9.3
160.04567	6.2
165.01852	1.2
165.05275	1.7
165.09123	5.8
165.12764	50.0
166.08676	0.6
166.13080	1.4
173.22514	0.6
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	Norecasantalal
Peak:m/z	Relative Intensity
53.03934	2.5
55.01860	3.1
55.05519	8.5
56.96572	4.1
57.03442	6.7
57.07055	1.2
57.67918	0.8
58.96060	0.7
62.34522	0.7
65.03944	1.9
67.05508	41.9
69.03430	6.3
69.07073	9.4
69.37069	4.7
69.37474	1.4
71.04985	2.3
77.03904	1.2
79.05497	38.0
81.03410	1.6
81.07060	79.5
82.07375	1.4
82.99844	1.4
83.04987	10.3
83.08601	1.7
83.75774	0.8
84.67358	0.8
85.06554	5.7
91.05484	48.3
93.07050	43.8
95.04978	7.1
95.08611	24.3
95.09103	0.6
97.06524	10.1
99.08083	1.7
101.00890	11.0
101.02579	1.7
103.05509	1.0
104.52328	1.0
105.07036	74.4
107.08607	25.0
109.06529	12.3
109.10162	6.1
117.07005	1.3
119.01936	23.0
119.04960	9.4
119.08586	59.4
120.08112	1.4
120.08912	1.7
121.10150	59.0
122.10474	1.3
123.08073	9.3
123.11712	9.8
124.02462	1.6
125.04395	0.9
134.04868	3.0
137.02997	4.6
137.09621	5.1
137.13278	1.9
137.98360	1.0
142.03499	18.0
143.05432	4.7
145.10109	1.8
147.04422	14.6
147.11693	100.0
148.12044	2.9
152.06017	0.7
160.04587	2.8
165.01826	1.0
165.05345	1.4
165.09116	4.2
165.12761	86.0
166.04970	0.8
166.13104	2.2
179.59157	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03943	1.1
55.01885	0.9
55.05516	5.3
56.96566	0.5
57.03441	3.3
57.07080	2.7
59.05005	0.6
65.03958	0.9
67.05176	0.7
67.05512	10.2
69.03101	0.6
69.03431	3.8
69.07072	4.1
69.59846	3.5
71.05001	0.8
71.08640	1.3
77.03940	0.6
79.05498	7.0
79.05917	0.8
81.03422	1.5
81.07058	17.6
82.99820	1.1
83.04990	3.5
83.08620	1.9
85.02909	1.0
85.06552	0.7
91.05483	13.6
93.07046	13.7
93.74607	0.4
94.04199	0.6
95.04980	6.6
95.08609	13.0
97.06550	1.4
98.21406	1.1
100.02509	0.5
101.00880	8.9
103.05449	0.9
105.07038	12.9
106.06567	0.9
107.04972	1.7
107.08589	11.6
109.06525	19.4
109.10162	8.9
110.10511	0.6
117.07028	1.2
119.01929	16.9
119.04945	6.9
119.08587	18.4
120.08095	0.8
121.06510	1.8
121.10150	23.8
122.07291	9.7
122.10483	0.5
123.04416	1.3
123.08079	10.6
123.11704	4.8
124.02482	1.4
135.08035	2.8
137.02975	2.2
137.09621	100.0
137.13239	2.0
138.09952	1.8
142.03503	11.9
147.04430	12.7
147.07957	1.1
147.11699	9.8
150.10397	4.2
160.04556	2.3
165.05432	1.5
165.06976	0.7
165.09048	2.6
165.12756	36.5
166.08611	1.1
166.13083	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
53.03940	2.4
53.71027	0.9
54.22115	1.0
55.01857	2.7
55.05515	7.8
56.96572	1.2
57.03441	6.9
65.03941	1.7
67.05510	40.4
69.03433	7.7
69.07078	7.6
70.87759	2.2
71.04995	2.8
79.05497	38.4
80.09838	1.0
81.03427	1.6
81.07062	83.3
82.07388	1.6
83.04984	11.5
83.08601	1.2
85.02911	1.3
85.06538	5.9
91.05487	41.9
93.07047	47.7
93.07636	2.5
95.04973	10.6
95.08613	25.2
97.06539	9.7
99.08073	2.2
101.00876	10.8
103.05457	2.2
105.07035	79.8
107.07871	1.5
107.08601	25.6
109.06521	15.8
109.10172	5.7
112.80183	1.0
117.07051	1.6
119.01065	1.0
119.01923	22.0
119.04916	7.8
119.08590	64.1
120.08067	1.8
120.08902	1.2
121.10151	66.6
122.10506	1.7
123.08089	10.7
123.11726	10.8
137.02946	2.7
137.06020	1.1
137.09610	4.1
137.13245	3.0
142.03488	12.2
145.10158	2.5
147.04407	12.1
147.11696	100.0
148.12032	3.4
160.04561	4.2
165.05417	1.5
165.12762	88.7
166.13094	2.6
184.90179	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03945	3.2
55.01863	4.3
55.05269	1.6
55.05511	9.7
56.96555	5.6
57.03427	4.9
57.07054	1.8
64.51505	1.3
65.03924	2.2
67.05506	44.2
69.03426	15.1
69.07066	7.3
69.43813	10.5
71.04993	2.9
71.53607	1.4
75.90870	1.5
79.05069	2.0
79.05497	32.4
80.05822	1.7
81.03413	5.7
81.07057	73.9
82.99837	3.7
83.04980	11.8
83.08614	1.5
85.02895	3.3
85.06556	6.6
91.05486	46.7
93.07047	40.5
95.04979	18.3
95.08615	26.1
97.06547	8.7
99.08073	2.4
100.02477	2.1
101.00883	42.3
101.02571	2.8
105.07034	62.9
107.08600	22.0
109.06519	20.1
109.10176	7.4
109.59992	1.4
109.60735	1.2
111.04431	2.1
117.06991	3.0
118.03529	1.7
119.01927	100.0
119.04944	19.1
119.05830	2.2
119.08583	52.5
119.97304	2.7
120.02020	4.3
120.08099	4.5
121.10150	58.3
122.07274	2.2
122.10457	1.8
123.04433	2.0
123.08093	10.6
123.11708	11.7
124.02460	6.2
128.97835	1.7
133.02771	2.0
136.07669	1.2
137.02962	21.0
137.05994	3.3
137.07916	3.1
137.09612	12.4
137.13187	2.6
142.03500	73.5
143.03651	1.8
145.10158	1.7
147.03244	1.9
147.04419	37.2
147.08008	2.0
147.11691	86.8
148.11954	2.9
151.54073	1.2
158.59705	1.3
160.04547	16.1
165.01825	2.9
165.05338	5.7
165.09099	15.7
165.12761	90.5
166.13145	1.5
181.01314	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03702	0.6
53.03957	2.1
55.01894	1.9
55.05520	5.6
56.96575	2.0
57.03451	1.4
57.07087	1.1
61.02933	0.9
65.03964	2.7
66.34460	0.6
67.05509	25.7
69.03429	8.5
69.07068	4.2
70.28952	1.3
70.29345	1.3
70.55231	0.7
71.05016	3.1
73.43436	0.8
75.67123	0.6
79.05501	13.3
81.03438	2.4
81.06586	1.7
81.07065	32.5
82.99873	1.9
83.04982	4.8
83.08649	1.0
85.02924	2.8
85.06524	1.2
85.70561	0.6
91.05486	44.8
92.05829	0.9
93.07051	14.7
93.23866	0.7
95.04958	5.1
95.08613	16.4
97.06561	2.3
98.21476	0.8
99.08082	0.9
101.00893	21.8
103.05477	1.3
105.07038	36.9
106.07427	1.0
107.04981	1.5
107.08593	14.7
109.06530	8.4
109.10163	4.7
111.36395	0.7
117.07053	1.2
119.01935	48.1
119.04952	52.9
119.08588	19.3
120.02038	2.1
120.05284	1.4
120.08109	3.3
120.08885	0.8
121.06514	0.8
121.10154	23.1
121.11038	1.2
122.07282	1.0
123.04449	3.1
123.08095	6.8
123.11716	8.6
124.02446	3.5
128.97823	0.9
129.05580	0.9
137.02985	9.8
137.06010	2.3
137.09595	7.8
137.13248	2.1
138.03040	1.0
142.03510	38.1
143.03699	1.1
145.10176	1.5
147.04422	100.0
147.08072	2.1
147.11696	29.5
148.04781	2.9
148.12064	0.8
160.04562	6.8
165.01828	1.0
165.05469	4.4
165.09128	4.3
165.12764	29.8
165.14142	1.4
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
53.03948	0.4
55.05501	0.3
56.96575	2.8
65.03939	1.4
69.03429	0.5
69.44173	0.8
69.44595	1.3
74.04552	0.3
74.65720	0.3
74.68020	0.3
77.58900	0.3
78.02420	0.3
79.05492	0.4
81.03410	0.3
81.07051	0.6
82.99846	0.6
85.02901	0.3
89.27753	0.3
91.05489	25.6
92.05836	0.7
95.04959	1.2
95.08602	0.5
95.95465	0.3
97.07251	0.3
101.00894	4.1
101.23885	0.3
112.99152	0.3
119.01936	9.6
119.04951	50.4
120.05271	0.7
120.08130	0.8
123.04442	2.3
124.02478	0.7
126.96597	0.3
127.03392	0.4
137.02951	1.1
137.05991	0.5
137.08012	0.3
137.09578	0.4
142.03516	7.0
147.04419	100.0
148.04753	1.9
160.04578	1.0
165.05527	1.6
165.12778	0.4
182.90974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03945	0.6
53.36102	0.4
54.52881	0.3
55.01868	0.8
55.05517	0.5
56.96573	0.5
59.06887	0.4
60.93700	0.3
61.02920	0.4
65.03947	2.2
67.05501	2.3
68.99827	0.4
69.03439	2.0
69.07082	0.5
69.69582	2.5
70.08869	0.4
79.05504	1.1
81.03448	0.4
81.07066	1.7
82.99850	1.2
83.04999	0.7
85.02909	0.7
91.05486	31.3
93.07049	1.2
95.04958	2.6
95.08616	1.4
101.00890	13.0
103.05460	0.7
105.03392	0.5
105.07044	1.5
107.04960	0.8
107.08601	0.7
109.06521	1.1
109.08461	0.4
109.10154	1.6
111.04420	0.6
117.06990	0.5
119.01050	0.7
119.01933	28.2
119.04947	56.9
119.08568	3.2
120.05262	0.7
120.08124	0.9
122.07270	0.5
123.04454	6.0
123.08085	1.8
124.02467	1.7
132.05766	0.9
137.02991	5.4
137.05989	2.4
137.09636	1.7
142.03506	18.5
143.03650	0.6
146.27083	0.4
147.04417	100.0
147.08067	2.0
148.04774	1.8
157.48740	0.4
160.04567	4.4
165.05493	11.6
165.09097	5.5
165.12704	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1278
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03933	3.0
55.01860	1.4
55.05517	13.1
56.96570	5.4
57.03430	3.2
57.07075	2.0
65.03934	4.7
65.04240	1.0
67.05510	100.0
69.03085	1.3
69.03433	16.2
69.07063	6.6
71.04977	3.1
71.08635	1.2
71.55930	1.3
79.05495	23.4
81.03445	2.5
81.07064	81.1
81.46055	1.2
82.99847	4.1
83.04999	6.9
83.08611	1.5
85.02889	2.5
85.06528	2.1
91.05489	84.1
92.05788	2.1
93.07059	35.2
95.04981	11.8
95.08615	38.7
97.06523	4.4
99.08096	4.3
100.02464	1.6
100.56116	1.0
101.00891	39.1
101.02544	2.3
102.02292	1.2
103.05459	2.3
105.07042	76.1
106.07352	1.8
107.05006	1.9
107.08604	24.4
108.87312	0.9
109.06519	14.6
109.10163	31.8
110.06068	1.0
113.02377	1.2
117.07030	1.6
119.01933	97.1
119.04953	54.8
119.08593	32.3
119.97312	1.7
120.02059	2.3
120.05267	2.0
120.08134	6.4
120.08833	1.3
121.06547	1.4
121.10153	49.1
123.04449	3.5
123.08079	9.6
123.11719	21.4
124.02439	6.8
128.97850	2.5
130.02869	1.3
133.02803	2.0
137.02972	20.8
137.05959	5.1
137.07956	1.8
137.09618	8.2
137.13257	3.3
137.98285	1.2
141.54539	1.5
142.03508	69.1
143.03603	1.7
145.10112	2.1
147.04425	97.3
147.08070	2.3
147.11703	73.5
148.04790	2.1
148.12036	1.9
160.04565	14.8
165.01909	1.7
165.05524	5.8
165.09106	3.7
165.12762	64.2
165.16376	3.6
166.08586	1.5
166.13109	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	165.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57444	0.3
53.03960	0.5
53.37303	0.3
55.01866	0.4
55.05523	0.5
55.62326	0.4
56.96567	1.1
57.03448	0.4
60.08801	0.3
61.02933	0.5
65.03941	1.9
67.05506	1.1
69.03439	1.6
71.03630	0.7
74.01901	0.3
75.14581	0.3
79.05502	1.5
80.18290	0.4
81.03428	0.6
81.07062	1.4
82.99858	1.7
83.04984	1.1
83.34039	0.3
85.02913	1.2
88.53992	0.4
91.05489	26.1
93.07059	0.7
95.04981	2.6
95.08601	1.2
100.02537	0.5
101.00891	16.3
103.05494	0.4
105.07043	1.0
107.04995	0.7
109.06547	1.0
109.10156	0.9
119.01933	39.3
119.04951	51.4
119.08562	1.1
120.02028	0.6
120.05307	0.7
120.08118	1.5
121.06575	0.7
123.04446	3.6
123.08061	1.0
124.02457	2.5
137.02969	7.9
137.05969	1.3
137.09619	1.1
137.98482	0.4
138.05539	0.4
138.09155	0.3
142.03514	26.8
143.03668	1.1
147.04420	100.0
147.11679	0.5
148.04761	2.3
160.04581	6.4
165.01834	0.7
165.05502	3.7
165.09135	1.5
165.12706	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03934	0.3
56.96576	0.2
64.93262	0.3
65.03946	2.0
69.03426	0.3
71.13317	0.4
72.42532	0.3
75.06134	0.2
81.07079	0.3
82.99868	0.5
91.05493	26.8
92.05840	0.5
95.04993	1.7
101.00890	5.4
103.05458	0.6
119.01945	9.6
119.04957	54.8
120.05294	0.8
120.08120	3.4
123.04439	2.6
124.02509	1.0
129.05431	0.3
130.07529	0.2
137.02983	1.9
137.05960	0.4
141.32690	0.3
142.03516	7.0
147.04425	100.0
148.04742	1.5
160.04590	0.9
165.05530	1.3
165.09201	0.3
173.70659	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
56.96568	4.0
57.03442	0.5
65.03951	1.7
67.05498	0.6
69.03436	1.6
71.11880	0.5
71.12202	0.3
71.58658	0.3
74.97626	0.3
79.05490	0.6
81.03432	0.5
81.07066	0.5
82.99851	1.0
83.04996	0.5
85.02895	0.5
91.05486	27.6
92.05864	0.4
93.07059	0.6
95.04962	2.6
97.06558	0.3
101.00886	9.8
102.00946	0.4
103.05466	0.5
105.07023	0.6
107.04963	0.3
109.06520	0.7
109.08447	0.3
109.10161	0.3
109.52486	0.3
111.04539	0.4
112.99121	0.8
117.90015	0.3
119.01936	21.0
119.04949	56.9
119.08572	0.8
120.01997	0.6
120.05286	0.5
120.08127	1.9
120.28618	0.3
120.43239	0.3
123.04433	2.3
123.08031	0.4
124.02457	1.6
127.53544	0.4
131.00195	0.4
133.02805	0.4
137.02953	4.0
137.05005	0.4
137.05986	1.0
137.07925	0.4
137.09654	0.9
142.03510	15.4
147.04417	100.0
148.04785	2.0
160.04559	2.4
164.08189	0.4
165.05528	2.2
165.09143	0.7
165.12921	0.4
166.04991	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52244	0.5
65.16064	0.6
70.20016	2.1
82.01428	1.0
82.99848	6.7
100.02494	1.1
101.00888	54.9
108.58084	0.5
115.74399	0.6
119.01928	100.0
120.01998	2.7
124.02466	13.0
137.02968	13.6
142.03506	74.8
143.03642	2.2
160.04570	12.0
165.05183	1.2
175.54825	0.5
175.56572	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77896	0.4
53.03947	1.1
70.61359	1.0
71.95255	0.6
76.69791	0.6
82.01450	1.3
82.99852	7.9
83.00314	1.0
91.05485	4.7
95.04973	11.6
100.02488	1.0
101.00890	64.9
102.00996	1.8
103.05479	0.9
107.72406	0.5
109.06518	0.8
119.01931	100.0
119.04939	10.5
120.02020	2.5
123.04442	16.3
124.02464	10.1
137.02969	14.7
137.05981	0.7
142.03508	67.1
143.01938	0.6
143.03677	1.7
147.04454	3.7
160.04573	11.0
161.02986	0.8
165.05219	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14834	0.3
53.03943	0.5
56.96571	0.7
65.03944	1.5
67.05489	0.3
69.03422	0.8
71.34179	0.4
79.05479	0.7
81.03450	0.3
81.07047	0.3
82.99865	1.4
83.04980	0.5
85.02946	0.4
91.05488	27.7
92.05801	0.4
93.07054	0.6
95.04975	2.8
95.08627	0.3
101.00889	11.5
103.05481	1.1
105.07042	0.5
119.01937	24.8
119.04953	54.3
119.08582	0.6
120.02043	0.9
120.05307	0.8
120.08132	8.4
121.06503	0.3
123.04448	3.7
123.08117	0.4
124.02470	2.6
133.02838	0.6
137.02980	4.5
137.05995	0.9
137.07944	0.4
142.03508	16.8
143.03648	0.5
147.04420	100.0
148.04767	1.9
160.04572	2.8
165.05513	1.7
165.09030	0.4
165.11183	0.6
170.60472	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.5
50.36419	0.4
50.41209	0.4
51.02377	1.8
53.03950	4.8
55.01876	12.2
59.05009	5.3
65.00271	0.6
65.03957	2.4
65.04234	0.5
67.01874	2.2
68.99439	0.9
68.99794	13.9
69.03433	6.6
79.01863	11.6
81.03423	21.6
82.99834	1.2
84.86663	0.5
85.02914	0.6
91.05480	2.8
92.99776	21.5
95.05006	0.5
97.02900	5.7
98.21571	0.7
99.00193	0.8
99.00827	12.0
101.00890	14.0
101.02626	0.5
109.02877	4.5
109.06510	0.7
111.00820	1.1
111.04454	0.5
119.01929	29.2
119.04952	4.0
119.08615	0.7
120.02058	0.6
121.02901	0.6
123.00782	0.5
124.02436	2.4
135.90233	0.5
137.02228	11.1
137.05975	1.3
141.01830	5.6
142.03513	20.6
143.03633	0.5
147.00803	1.5
147.04413	8.4
155.03413	2.3
160.04556	3.4
165.01852	100.0
165.05208	1.8
165.12790	0.9
166.02229	2.6
183.02907	37.5
184.03181	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0707
Annotation	WF 5239
Peak:m/z	Relative Intensity
51.02382	0.4
53.03949	2.9
53.63148	0.2
55.01862	0.3
65.03938	0.9
67.05502	0.8
68.02655	0.3
69.03439	0.2
69.70993	1.2
70.02953	0.2
77.03917	0.9
78.04671	0.3
78.83114	0.2
79.05491	1.8
80.05021	0.6
80.05843	0.2
81.03433	0.5
81.07038	1.3
82.01457	0.3
91.05486	8.3
92.05833	0.3
93.05803	1.6
93.07053	5.2
94.06583	0.7
94.07396	0.5
95.04975	2.7
96.68645	0.2
100.02488	0.8
101.00893	0.7
104.05779	0.2
105.04507	1.3
107.08635	0.5
108.04505	1.0
108.05166	0.3
108.08134	3.9
108.08837	0.4
109.06548	0.4
116.04974	0.3
117.05787	0.3
118.03601	0.4
118.06541	0.5
119.01932	1.3
119.04940	0.7
119.08545	0.3
122.06033	1.7
122.10490	0.4
123.08109	0.4
126.05528	2.5
134.28581	0.2
136.07584	100.0
137.07939	2.0
137.09674	0.2
140.07057	2.8
142.03529	0.9
143.03261	0.2
146.05994	0.3
146.10457	0.6
147.04402	1.3
164.04305	1.1
164.07076	14.9
164.11571	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.3
53.03960	5.7
55.01627	1.1
55.01880	14.7
57.03422	2.3
59.04994	4.9
61.02926	2.2
65.03933	3.0
67.01862	1.3
67.05501	1.8
68.99443	0.9
68.99799	13.9
69.03430	11.3
70.46913	0.9
79.01863	11.2
79.05477	1.5
81.03426	23.8
81.07050	3.0
81.41341	0.8
82.99847	2.3
83.04986	2.3
84.57835	0.8
85.02901	3.2
91.05482	8.3
92.99776	24.1
93.06997	1.1
95.04958	2.9
95.08595	1.7
97.02914	6.7
99.00827	13.9
100.02498	1.5
101.00892	31.7
105.07015	1.8
107.08586	2.4
109.02889	5.9
109.06498	2.3
111.04446	0.9
119.01933	85.0
119.04936	12.7
119.08586	1.9
120.02007	2.4
120.08073	0.9
121.02924	1.4
123.08067	1.4
124.02467	6.6
130.00977	1.5
137.02255	8.9
137.02998	12.5
137.05951	2.9
137.09685	0.9
141.01846	4.8
142.03513	57.0
143.03610	1.6
147.04419	21.9
155.03448	2.8
160.04575	13.2
165.01852	100.0
165.05023	5.6
165.09100	1.3
165.12784	4.4
166.02101	2.0
169.58586	0.8
183.02902	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03951	7.5
54.03474	57.4
55.05514	8.1
57.07069	2.6
65.03925	1.8
65.58165	1.1
67.05511	6.4
68.02638	2.0
68.05019	1.1
69.07070	20.9
69.58315	6.3
77.03902	1.5
79.05067	1.5
79.05500	24.3
80.05006	2.8
81.04546	49.1
81.07063	29.5
82.05334	8.5
83.08618	6.8
84.08134	4.7
87.21274	1.0
91.05488	14.1
92.02626	1.1
93.07046	42.2
94.07426	1.2
95.04966	7.3
95.06088	5.3
95.08618	22.5
103.05483	2.0
105.03377	4.4
105.04514	3.9
105.07027	8.1
106.06558	7.9
107.04926	3.8
107.08600	100.0
108.08131	1.8
108.08913	2.1
109.06496	2.8
109.10133	1.6
115.05454	1.9
117.05769	7.6
117.07019	1.8
118.06523	1.7
119.05007	1.3
119.06033	2.2
119.08577	2.2
120.02061	1.2
120.05569	1.3
120.08099	2.3
121.06468	1.8
121.09322	1.9
121.10150	31.1
122.07167	36.9
122.10491	1.2
123.07954	3.6
130.06537	13.8
131.04890	1.6
132.08109	18.0
133.02861	14.6
134.03159	1.2
135.04427	12.2
135.11693	13.7
136.07573	4.8
136.08694	6.3
140.08167	4.6
145.06487	1.5
145.10078	1.6
154.21829	1.0
163.03914	53.6
163.07539	3.0
163.08688	1.2
163.09853	24.4
163.11151	4.9
163.12383	10.9
163.14830	47.9
164.04184	2.1
164.07077	1.4
164.15172	1.4
181.46413	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.9
53.03949	5.5
54.03473	36.9
55.01868	1.4
55.05516	8.8
57.07080	1.8
65.03947	1.3
67.05508	7.1
67.11784	0.5
67.20446	0.6
68.02608	1.0
68.05040	1.3
69.07069	25.1
69.21633	5.1
69.22035	0.9
77.03947	1.3
79.05497	31.2
80.05011	2.3
81.04544	30.9
81.07059	30.8
82.04893	1.0
82.05320	5.1
83.08624	6.9
84.08141	1.9
86.77258	0.7
89.03914	0.8
91.05486	13.0
92.02615	1.8
93.07046	41.9
94.07418	0.6
95.04971	8.5
95.06076	4.5
95.08611	24.2
98.21525	1.3
103.05487	1.0
105.03404	2.4
105.04515	4.0
105.07037	9.4
106.06580	5.7
107.04948	2.8
107.08598	100.0
108.05618	0.8
108.08120	2.7
108.08878	1.5
109.06516	2.5
109.10177	2.6
110.05978	0.6
115.05500	0.9
117.05781	4.4
117.07023	2.0
118.06541	0.7
119.06103	1.2
119.08591	3.2
120.08131	3.2
121.06492	1.6
121.10149	34.3
121.96641	0.7
122.07161	21.3
122.10445	1.2
123.07952	1.9
130.06544	14.3
131.04942	1.7
132.08102	15.6
133.02853	11.8
133.10121	1.1
135.04422	12.9
135.08066	1.0
135.11696	11.7
136.04782	0.7
136.07573	4.6
136.08713	3.8
140.08226	4.1
145.06453	0.9
145.10149	2.3
146.07103	1.2
163.03914	48.1
163.07544	2.0
163.08667	1.2
163.09787	14.9
163.11169	5.2
163.12335	10.4
163.14825	42.9
164.04268	1.3
164.07082	1.4
164.10687	1.0
164.11865	0.7
164.15132	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.54203	0.8
53.03947	11.1
55.01861	1.7
55.05512	9.2
57.07069	1.8
65.03944	2.0
67.05506	25.2
68.99778	1.5
69.06728	1.1
69.07071	13.5
69.49535	5.4
77.03919	4.1
79.05498	58.4
80.05016	1.5
80.05824	1.0
81.03391	0.9
81.07058	40.1
82.01469	1.1
83.08613	4.9
84.08142	3.1
85.02908	1.1
89.03915	2.1
91.05479	14.0
92.02607	4.7
92.05795	1.0
93.07045	54.3
95.04971	11.7
95.08608	41.1
99.16356	1.0
100.02496	4.2
105.03419	4.9
105.04530	4.3
105.07020	4.1
106.06602	6.1
107.04955	4.1
107.08599	50.6
108.08129	1.5
108.08875	1.3
109.06508	1.8
109.10124	3.1
115.05418	1.0
117.03429	1.2
117.05747	5.7
117.07027	1.3
118.03526	1.7
118.32346	0.9
119.08581	3.8
120.08111	3.5
121.06498	2.0
121.10149	65.9
122.10480	2.0
127.34914	1.1
130.06528	17.9
131.04953	2.5
132.07086	1.0
132.08092	17.8
133.02863	26.9
135.04416	28.4
135.05424	1.7
135.08040	1.8
135.11716	7.6
136.07568	4.6
145.10114	2.7
163.03909	100.0
163.07509	2.5
163.11159	9.9
163.12338	13.4
163.14825	42.6
164.04269	2.1
164.07130	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02372	0.9
53.03951	4.5
55.01873	3.0
55.05498	2.2
56.96559	3.1
57.03425	1.1
60.27031	0.6
65.03927	1.5
67.05495	2.8
68.99785	0.7
69.03089	0.7
69.03438	14.0
69.07059	2.3
69.49440	2.8
69.49858	1.4
71.04990	1.5
73.02898	0.9
77.03929	1.3
79.05499	15.4
80.05016	1.2
81.03413	0.8
81.07061	5.6
82.01442	0.8
83.04977	0.6
84.08128	1.2
85.02908	0.7
89.03920	10.4
91.05486	18.8
92.02625	1.0
93.07051	65.0
94.07378	1.0
95.04972	6.3
95.08597	2.0
98.43189	0.8
98.97585	0.8
100.02484	2.0
103.05473	13.0
105.03387	1.9
105.04517	2.3
105.06388	1.1
105.07041	14.4
106.06566	4.2
107.04963	7.9
107.07402	1.4
107.08598	28.9
108.08099	1.3
109.06516	1.5
109.10115	0.7
115.05457	2.4
117.03397	8.2
117.05802	3.9
117.07034	6.4
118.03535	1.2
119.01862	0.6
119.04917	0.8
119.08588	8.1
120.08115	1.4
121.06521	5.0
121.10139	6.7
122.09684	5.5
129.07031	0.8
130.06540	8.0
130.07756	3.9
131.04938	11.3
132.08090	7.7
133.02850	5.8
133.06566	0.7
135.04428	21.9
135.08052	5.7
135.08923	0.9
135.11705	10.7
136.07623	3.1
143.08577	2.1
145.02872	5.3
145.06508	1.4
145.10133	36.2
146.10446	0.7
147.08022	0.8
148.05173	1.8
148.08835	1.7
163.03920	45.4
163.07565	10.0
163.11182	100.0
163.12309	6.1
163.14871	1.6
164.04672	4.0
164.07077	1.1
164.10606	1.9
164.11754	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77655	0.8
51.02386	0.9
53.03952	8.3
55.01874	7.9
55.05504	6.0
56.13029	1.0
56.96558	2.8
57.03422	1.1
57.07061	0.9
65.03938	2.6
66.04715	1.1
67.05502	11.5
68.02631	1.8
68.99796	0.9
69.03445	4.4
69.07080	4.8
69.45267	6.4
71.11140	1.1
77.03927	3.1
79.05499	38.7
80.65525	1.0
81.03436	1.3
81.07062	42.8
82.07391	1.0
83.04974	1.3
83.08629	1.1
85.02916	1.7
88.74877	0.9
89.03916	13.4
91.04973	1.5
91.05492	21.3
92.02625	2.2
92.06247	1.4
93.03413	2.0
93.07048	49.2
95.04974	14.4
95.08600	4.0
100.02475	2.7
103.05476	96.3
104.05791	1.1
105.03379	3.6
105.04514	3.8
105.07037	25.1
106.06563	1.9
107.04963	12.4
107.08601	33.0
108.08118	2.8
109.06512	11.8
115.05455	3.2
116.05005	1.5
117.03388	8.7
117.05779	2.1
117.07027	13.0
118.03593	1.0
119.04887	1.5
119.08595	24.3
120.05780	1.4
121.06526	9.2
121.10154	51.8
123.08029	1.1
127.07573	12.2
128.06198	1.0
130.06535	4.5
130.07776	8.8
131.04939	100.0
132.05287	2.4
132.08096	5.6
133.02859	15.4
133.06477	4.4
133.10141	1.8
135.04436	32.7
135.08054	11.2
135.11702	8.9
136.07600	7.3
139.22905	1.0
143.08578	2.5
145.02863	7.4
145.06467	3.0
145.10132	65.7
147.08051	1.2
148.08867	5.7
154.46745	0.9
161.09705	1.4
163.03914	71.8
163.07552	23.9
163.11189	87.2
163.12309	3.6
163.14816	4.1
164.04231	1.8
164.07005	5.0
164.11632	2.3
170.59842	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.56694	1.3
53.03952	10.3
55.01857	5.9
55.05518	7.2
56.96552	4.6
57.03426	3.9
61.94051	1.5
65.03931	2.4
67.05505	6.4
68.02624	1.4
69.03431	15.0
69.07046	5.7
71.01337	1.4
71.04986	3.9
71.23809	1.7
71.24152	2.4
73.46730	1.4
77.03911	3.1
79.05074	2.3
79.05499	34.9
79.16038	1.5
80.04999	2.4
81.03395	3.4
81.07059	23.0
83.04980	4.3
84.08125	3.3
85.02895	3.4
89.03415	1.9
89.03921	21.2
91.05486	34.3
92.02591	2.6
93.06482	2.7
93.07053	45.3
95.04971	18.6
95.08610	4.6
97.02913	1.9
100.02469	3.0
103.05476	69.4
104.05793	1.6
105.03384	5.5
105.04504	3.8
105.07034	38.2
106.06568	10.9
107.04964	29.7
107.08601	58.1
108.08128	3.4
109.06523	3.6
115.05460	7.8
117.03393	14.0
117.05788	10.3
117.07012	20.8
119.08588	22.9
120.08096	5.1
121.06525	19.5
121.10151	46.0
125.35062	1.4
126.01505	1.6
129.07014	3.8
130.06523	23.1
130.07773	16.7
131.04938	68.3
132.05290	1.4
132.08109	25.3
133.02866	18.9
133.06482	4.0
133.07527	1.9
133.10141	3.9
135.04431	49.3
135.08072	10.1
135.11697	25.0
136.07564	8.7
136.08441	1.3
139.01834	1.8
143.08565	3.3
145.02850	9.3
145.03940	2.6
145.06479	3.7
145.10132	63.3
147.08083	2.7
148.08881	2.6
163.03914	100.0
163.07526	24.7
163.08781	3.7
163.11172	99.5
163.12354	14.0
163.14822	5.9
164.04306	1.7
164.07040	4.1
164.11543	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
51.30706	0.4
53.03953	2.2
55.01879	1.6
55.05522	2.4
56.96552	0.5
57.03440	0.4
57.07079	0.8
62.13058	0.3
65.03911	0.4
67.05511	2.3
69.03445	2.1
69.07076	5.0
70.17500	1.4
71.04997	0.5
72.84418	0.3
77.03911	0.8
79.01851	0.4
79.05071	0.7
79.05499	11.4
80.04978	0.3
81.03431	0.6
81.07066	4.9
82.01437	0.4
83.04987	0.6
83.08611	0.8
86.92807	0.3
89.03926	7.1
91.05489	8.3
92.02641	0.4
93.03404	0.5
93.07053	12.7
95.04971	3.4
95.08615	3.1
100.02477	0.7
103.05481	11.4
103.25227	0.3
105.03386	0.7
105.04505	1.6
105.06399	0.5
105.07047	6.8
106.06568	0.9
106.55204	0.3
107.04972	8.5
107.08605	18.5
108.08126	0.6
109.06508	1.4
115.05437	1.3
117.03389	5.3
117.05753	1.6
117.07018	6.0
118.03615	0.5
119.04917	0.6
119.08591	3.8
120.08126	0.6
121.02875	0.6
121.06519	3.3
121.10157	11.0
129.07013	0.4
130.06558	2.9
130.07764	2.1
131.04939	12.2
132.08101	3.8
133.02882	2.5
133.06520	2.7
133.07497	0.6
133.10112	0.5
135.04431	14.9
135.08066	4.1
135.11705	6.9
136.07619	1.3
143.08502	0.6
145.02875	4.9
145.03964	0.4
145.06511	1.3
145.10130	11.4
147.08090	2.4
148.08849	11.9
163.03925	25.1
163.07561	5.7
163.11192	100.0
163.14766	4.2
164.04367	0.7
164.07068	0.6
164.11548	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	163.112
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.54166	0.3
53.03952	3.0
55.01870	1.5
55.05517	1.9
56.96576	1.8
57.03421	0.7
57.07074	0.4
57.25067	0.4
58.36933	0.3
59.98164	0.3
60.82172	0.3
64.58533	0.3
65.03941	0.9
67.05501	2.2
68.02647	0.7
69.03437	1.8
69.07069	2.4
69.98591	1.2
69.99001	0.7
72.24189	0.3
77.03913	0.7
79.05498	12.4
80.05042	0.5
81.03410	1.0
81.07079	3.4
82.01475	0.4
83.04991	0.8
83.08641	0.4
85.02930	0.3
89.03918	5.3
91.05487	8.2
92.02615	0.7
93.06470	0.7
93.07048	10.4
95.04980	5.1
95.08619	1.6
97.06535	0.3
98.20811	0.4
98.97554	0.7
100.02486	1.3
102.96871	0.4
103.04790	0.7
103.05473	11.2
105.03421	0.7
105.04527	1.9
105.07036	5.7
106.06570	0.7
107.04962	8.2
107.08603	12.0
108.08105	1.8
109.06536	0.8
115.05470	1.6
117.03389	4.6
117.05762	0.8
117.07014	5.9
118.03531	0.7
119.04989	0.5
119.06026	0.6
119.08589	3.6
120.08138	0.5
121.02849	0.6
121.06512	3.7
121.10145	6.6
126.05539	0.4
130.06538	2.1
130.07768	1.4
131.04936	11.2
132.08107	2.2
133.02852	4.2
133.06474	2.4
133.10178	0.5
135.04437	13.3
135.08067	5.6
135.11691	4.3
136.04732	0.6
136.07584	9.7
143.08560	0.9
145.02850	3.7
145.06505	1.4
145.10127	9.8
147.08055	2.9
148.05058	0.5
148.08833	11.8
149.09233	0.3
163.03920	29.7
163.07553	5.8
163.11185	100.0
163.14790	2.3
164.06984	1.9
164.11549	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	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02387	1.1
53.03951	6.7
55.01863	1.7
55.05507	2.5
56.96561	2.7
60.95810	0.5
65.03954	0.7
67.05511	2.0
68.02651	0.9
69.03431	2.5
69.07064	2.1
69.56915	0.6
71.55455	0.9
77.03918	1.9
79.05502	16.5
80.05039	0.6
81.03407	1.3
81.07062	4.9
83.04980	1.2
84.08134	0.8
85.02903	0.9
89.03925	16.6
91.05487	10.6
92.02625	3.0
93.07051	10.5
95.04972	12.2
95.08596	2.0
98.97578	0.9
100.02493	2.0
102.96863	1.0
103.05477	14.0
104.29605	0.6
105.03424	4.2
105.04524	4.6
105.07038	8.5
106.06551	3.6
106.07303	1.3
107.04965	13.2
107.07868	0.9
107.08600	13.5
108.08189	0.9
109.06525	1.2
115.05457	2.4
117.03384	13.5
117.05799	3.2
117.07016	7.2
118.03568	1.0
118.06561	1.2
119.04941	0.8
119.08596	3.7
120.08103	1.3
121.06525	3.6
121.10165	7.6
129.07083	0.8
130.06538	8.4
130.07764	3.2
131.04936	13.6
132.08096	8.0
133.02869	18.5
133.06549	3.2
133.10120	0.6
135.04431	41.9
135.08064	4.1
135.11697	6.7
136.04774	1.4
136.07565	4.3
138.03127	0.7
143.08530	0.8
145.02866	10.9
145.03954	1.3
145.06473	1.4
145.10139	13.8
147.08066	2.9
148.05298	0.6
148.08832	9.7
163.03918	82.3
163.07571	6.2
163.11185	100.0
163.12306	5.6
163.14868	2.2
164.04262	2.2
164.05603	0.6
164.07082	2.5
164.11571	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	163.0868
Annotation	5-methoxy-6-methylbenzimidazole
Peak:m/z	Relative Intensity
53.03947	0.5
56.96560	0.9
57.00034	0.2
65.03939	0.3
69.03419	0.4
70.06579	0.6
70.30213	0.2
71.04988	0.2
79.05494	1.3
81.03426	0.3
84.01526	0.2
84.95982	0.3
85.02927	0.5
88.07611	0.2
89.03929	6.8
91.05461	0.5
92.04996	0.8
92.77649	0.2
95.04948	0.4
97.02961	0.2
98.20612	0.3
98.97595	0.5
102.96822	0.4
103.00655	0.4
105.04470	0.2
106.06555	0.4
107.04988	1.4
112.07622	0.2
117.03394	6.3
117.05769	0.6
118.06551	2.2
121.01712	1.3
130.06528	0.8
131.04979	0.2
132.06924	0.2
132.08099	0.9
133.07628	15.8
135.04430	9.0
135.05247	0.1
136.06203	0.2
136.07599	0.3
139.02739	0.2
140.00217	0.3
140.95314	0.2
145.02855	3.9
145.03975	0.3
145.07620	16.6
146.08444	1.7
163.03955	8.2
163.08676	100.0
164.04361	0.2
164.07042	0.2
164.09071	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.5
53.03949	8.4
54.03474	99.1
62.67713	1.3
68.05031	2.1
71.39338	2.5
77.03930	2.2
79.05491	12.5
80.05035	7.7
81.04544	94.0
81.07072	1.7
82.05328	16.9
82.06581	3.3
84.08167	7.0
87.35464	1.4
88.86204	1.3
91.05476	7.6
92.02621	4.2
93.04543	1.7
93.07040	4.2
95.04440	1.3
95.04955	8.1
95.06078	9.1
98.07114	1.7
101.97108	1.2
103.05459	3.5
105.03394	5.8
105.04493	8.3
105.07025	3.8
106.06573	8.0
107.04948	6.4
107.08598	7.9
108.05595	1.8
108.08096	2.6
117.03365	1.8
117.05757	5.9
117.07027	2.7
119.08591	2.2
120.05581	1.8
120.08106	3.5
121.06482	4.3
121.10144	5.1
122.07156	65.5
123.07974	6.9
124.92825	1.4
130.06532	11.3
131.04958	2.1
132.08109	17.3
133.02858	27.1
135.04422	29.3
135.08055	3.9
135.11671	3.1
136.05049	2.0
136.07593	5.3
136.08711	11.5
138.03093	1.7
140.08223	6.7
145.06487	2.5
145.10127	3.2
157.27608	1.2
162.10275	1.6
163.03912	100.0
163.06129	3.0
163.07672	6.9
163.09836	36.0
163.11150	6.2
163.12320	13.4
163.14682	2.2
164.04262	2.8
164.07036	3.2
164.10643	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0756
Annotation	(+)-4-Hydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.02378	0.6
51.69426	0.3
53.00317	0.4
53.03949	4.0
55.01883	2.0
55.05517	2.1
56.96565	1.3
57.03436	0.7
57.07079	0.7
61.02929	0.5
63.02367	0.6
65.03942	1.4
67.05512	2.3
68.70879	0.4
68.99813	0.4
69.03436	2.1
69.07076	4.7
69.61591	0.4
69.71312	1.2
69.71719	1.0
71.04998	0.6
76.01006	0.4
76.43992	0.3
77.03931	1.6
79.05502	19.3
80.05025	0.8
81.03421	1.1
81.07065	4.0
82.01443	0.4
83.08624	1.1
84.08141	1.4
85.02903	1.5
89.03927	15.6
91.05489	16.0
92.02656	0.6
92.06284	1.5
93.03427	0.4
93.07047	10.9
95.04979	7.1
95.08608	3.3
100.02512	0.6
102.04710	0.4
102.96892	0.6
103.05478	34.7
104.05796	1.0
105.03405	1.6
105.04506	2.4
105.07035	15.2
105.62666	0.4
106.06575	4.0
107.04964	100.0
107.08601	20.4
108.05291	1.6
108.08136	1.1
108.08843	0.4
109.06520	1.4
109.10168	0.6
115.05463	9.6
117.03392	11.9
117.05775	3.6
117.07027	5.5
118.03621	0.6
118.06529	0.4
119.04960	1.0
119.06097	0.7
119.08593	3.4
120.05740	8.0
120.08139	1.9
120.97938	0.5
121.00758	0.6
121.06560	2.8
121.10152	12.0
123.08023	0.7
125.13931	0.3
130.06538	8.1
130.07727	0.8
131.04935	15.5
132.08104	9.6
133.02856	5.3
133.06499	2.6
135.04430	28.0
135.08057	19.8
135.09099	0.7
135.10805	0.5
135.11684	4.2
136.04799	0.5
136.07578	4.0
139.52940	0.9
143.08539	0.5
145.02867	8.6
145.03944	0.8
145.06482	1.2
145.07628	3.2
145.10110	5.4
148.05173	0.9
148.08838	0.5
163.03915	38.2
163.07536	15.4
163.08714	2.6
163.11165	8.7
163.12352	7.0
163.14813	6.5
164.04276	1.1
164.07092	1.1
164.10651	0.6
181.02922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0392
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03944	2.4
54.31632	0.7
55.01877	0.8
63.02383	2.0
63.67456	0.5
66.66379	0.6
71.49463	1.3
77.03941	1.1
77.34486	0.7
79.05495	9.4
89.03925	72.6
90.04251	1.4
91.05496	1.1
95.04973	2.9
105.04517	1.8
106.06569	0.7
107.04963	13.5
107.06083	0.8
117.03388	61.6
118.03722	2.0
126.23079	0.6
130.06560	1.6
132.08112	1.5
133.07637	2.2
135.04427	100.0
136.04761	2.0
136.07556	0.7
145.02861	40.7
145.03922	2.6
145.07632	3.2
163.03922	82.0
163.08679	17.5
163.12419	1.1
164.04257	1.7
164.09293	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0392
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03950	2.6
54.65882	0.8
56.96558	1.1
63.02382	1.9
69.47054	6.1
73.38905	0.7
74.04677	0.8
77.03938	0.9
79.05497	12.2
82.22958	0.8
88.08167	0.7
89.03925	79.6
90.04267	0.8
91.05482	2.0
95.04980	3.9
103.05467	1.5
105.04527	1.5
106.06579	1.0
107.04965	15.2
115.20235	0.7
117.03388	68.0
117.05736	1.6
118.06569	2.3
120.04470	1.4
120.08054	0.9
120.71331	0.8
121.01653	1.3
121.10268	0.8
130.06552	1.4
131.04941	0.9
132.08130	3.3
133.02838	1.5
133.07613	8.2
135.04428	100.0
136.04774	1.2
140.95328	0.8
145.02858	43.5
145.03889	2.0
145.07623	9.7
163.03922	86.5
163.08675	58.8
163.11006	1.2
163.12331	2.7
164.04240	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0763
Annotation	L-Glutamate methylester
Peak:m/z	Relative Intensity
53.03948	0.5
55.01870	0.7
55.05516	0.9
56.05039	18.2
57.03432	1.3
58.99877	0.3
60.04526	0.7
60.08175	0.5
61.02927	0.5
68.05022	0.3
69.03426	0.7
69.17843	3.1
70.06592	1.0
71.04990	0.8
72.04518	0.4
73.02932	0.6
73.06571	0.4
74.06062	1.5
79.05491	1.1
81.03415	0.6
82.52256	0.4
84.04510	100.0
84.08152	1.1
85.02908	3.3
85.04830	0.5
86.03689	0.3
88.07642	1.1
89.03938	2.8
93.07034	0.3
94.06519	0.3
95.01341	1.0
95.04960	0.3
97.02915	0.5
98.06059	2.4
98.09658	0.6
99.04459	1.2
100.02519	0.3
101.00907	0.4
102.00954	1.5
102.02310	0.5
102.05547	3.0
102.09200	1.1
103.00637	0.6
103.03963	1.5
106.06538	0.4
107.04967	1.0
113.02345	0.6
116.07099	34.6
117.03386	1.8
119.01916	1.2
120.02011	6.0
120.06588	1.1
120.08125	0.4
121.00957	0.3
121.01689	1.8
126.05547	0.4
126.09143	0.5
130.05013	13.0
134.03664	0.6
134.06003	0.4
135.04410	4.4
138.03059	1.7
138.96399	0.5
139.02589	0.6
144.02113	0.5
144.03244	0.4
144.06578	1.0
145.02864	1.5
145.04987	5.0
156.97470	2.7
157.03448	2.6
162.03131	0.7
162.04344	0.4
162.05574	1.1
162.07672	2.5
162.09178	1.4
162.11249	1.8
163.03946	4.2
163.08714	0.4
174.98595	2.4
175.04611	0.5
179.99155	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.02134	1.1
53.03947	1.7
55.01870	1.3
55.05515	7.0
59.79509	1.2
66.38838	1.3
67.05519	10.4
69.03438	1.5
69.07076	8.5
79.05505	13.9
81.03415	1.4
81.07067	22.1
89.03966	1.3
91.05492	50.0
92.05820	1.3
93.07059	15.2
95.04973	1.5
95.08630	5.6
98.97613	1.4
101.95048	1.3
103.05483	5.1
105.03419	2.3
105.07044	95.2
106.07395	1.5
107.08598	4.2
115.05453	7.1
116.98653	1.1
117.07007	10.2
118.04170	4.5
118.06548	1.3
119.01899	1.3
119.08596	100.0
119.95792	1.8
120.08940	1.2
121.06519	2.3
128.06242	3.9
131.04932	1.4
131.08543	5.2
133.06516	10.2
133.10149	61.5
134.10504	2.2
143.06017	1.6
143.08566	5.0
145.06491	1.8
146.03633	3.3
146.07286	3.6
146.10916	2.2
159.11743	2.8
161.05991	10.4
161.07072	1.1
161.09637	25.2
161.13278	73.9
162.05560	2.3
162.09145	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0763
Annotation	L-Glutamate methylester
Peak:m/z	Relative Intensity
53.03931	0.3
55.01863	0.5
55.05506	0.9
56.05040	17.4
57.03430	0.8
58.06597	0.7
60.04530	0.5
60.08164	0.6
61.02929	0.3
67.05488	0.3
68.05081	0.2
69.03434	0.5
70.06591	1.4
71.05003	0.6
72.04526	0.6
73.01122	0.4
73.02895	0.4
73.06550	0.3
73.69165	0.2
74.06083	1.2
79.05496	0.7
80.78217	0.2
81.03424	0.4
82.61189	0.3
83.08624	0.3
84.04509	100.0
84.08163	0.7
84.11302	0.2
85.02905	3.2
85.04843	0.6
85.21330	0.2
87.04485	0.3
88.07626	0.8
89.03905	1.9
91.05480	0.4
95.01324	1.0
95.04970	0.4
97.02873	0.5
98.06051	2.2
98.09682	0.3
99.04442	1.0
100.02518	0.4
101.00882	0.6
102.00972	1.1
102.05549	2.9
102.09194	1.2
103.00651	0.7
103.02467	0.3
103.03954	1.2
106.06537	0.5
107.04944	0.9
113.02380	0.4
115.02544	0.2
116.07101	34.9
117.03386	1.9
117.07494	0.3
118.03543	0.4
119.01907	1.2
120.02007	5.1
120.06567	0.9
120.08095	0.5
121.01678	2.1
121.08550	0.3
126.09187	0.4
127.03960	0.5
130.05016	13.7
130.06548	0.6
132.08101	0.5
133.02751	0.3
134.03589	0.4
134.05994	0.4
135.04422	4.3
138.03078	1.6
139.02565	0.7
144.02118	0.4
144.03215	0.5
144.06557	1.1
145.02849	1.2
145.03897	0.5
145.04956	4.9
156.97472	2.4
157.03470	3.2
162.03152	0.5
162.04350	0.4
162.05437	1.4
162.07613	3.0
162.09125	2.1
162.11238	1.5
163.03915	5.0
163.12323	0.5
174.98512	1.9
175.04564	0.5
179.99135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.78656	0.4
50.86649	0.5
53.03947	1.0
55.05515	7.1
60.81173	0.4
65.03947	1.2
67.05511	1.4
69.07076	8.9
70.89190	0.9
78.92486	0.5
79.05497	4.9
81.07059	5.7
83.03032	0.4
91.05489	16.1
93.07062	4.6
95.04977	0.6
95.08611	0.8
103.05492	2.0
104.06239	0.7
105.07040	75.3
106.07365	1.4
107.08592	2.2
115.05478	1.3
115.09512	0.8
117.07047	4.8
118.04156	1.0
119.08591	100.0
120.08939	1.8
121.10153	1.3
131.08585	5.1
132.09335	0.9
133.06523	4.6
133.10143	31.9
134.10466	0.6
137.93622	0.4
143.08571	0.5
144.09358	0.7
145.10129	1.7
146.07243	0.7
146.10956	2.9
159.11700	3.6
161.06010	2.6
161.09671	4.2
161.13268	87.7
162.05518	0.7
162.09077	0.6
162.13577	1.8
178.23021	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03949	1.3
55.01880	0.6
55.05508	3.4
56.96566	2.2
67.05501	1.8
69.03411	2.5
69.07064	3.7
69.51359	0.5
69.77724	2.8
69.86266	0.5
69.91207	0.5
77.03960	1.1
78.93120	0.7
79.05489	5.5
81.07054	4.1
91.05484	16.8
91.98268	0.4
93.07042	3.1
95.04981	0.8
95.08656	0.7
97.02921	0.6
101.95049	1.1
103.03951	0.5
103.05489	3.6
104.06268	0.8
105.03406	3.3
105.07036	64.3
106.06610	0.7
106.07353	1.3
107.04967	0.5
107.08595	1.4
115.05455	2.0
117.07018	5.4
118.04165	1.1
119.08585	100.0
119.95773	0.5
120.02085	0.8
120.08910	1.7
120.94765	0.4
121.06544	0.6
128.06230	2.1
129.06950	0.5
131.04926	1.0
131.08607	3.0
132.09296	0.5
133.02844	0.9
133.06508	8.8
133.10138	23.3
137.17290	0.5
143.08560	3.6
144.09239	0.4
145.06476	0.8
145.10114	1.2
146.03566	0.6
146.07301	3.1
146.10863	0.9
151.03941	0.9
159.08034	0.7
159.11714	1.8
160.98407	0.4
161.02362	7.5
161.05983	7.6
161.07162	1.0
161.09619	25.7
161.13260	39.4
162.05458	1.1
162.09004	0.8
162.11314	0.5
162.13637	0.9
164.25975	0.6
182.60698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16474	0.3
53.03951	1.3
55.05514	5.7
59.22454	0.3
63.31387	0.3
65.03944	1.9
67.05504	1.6
69.07071	8.4
70.88873	0.6
70.89211	0.6
74.51605	0.3
76.76723	0.3
77.03921	0.5
79.05494	4.3
81.07063	5.5
85.71441	0.3
89.26674	0.4
90.04696	0.5
91.05487	13.6
93.07050	3.9
95.08605	0.5
103.05468	2.3
105.07038	76.3
106.07359	1.1
107.08627	2.3
115.05485	1.2
115.09509	0.5
117.07030	4.3
118.04173	0.9
118.07818	0.7
119.08588	100.0
120.08871	2.1
121.10161	1.5
128.06262	0.6
130.07747	0.5
131.08566	4.9
132.09367	0.7
133.06525	3.7
133.10139	28.7
134.10443	0.8
141.79108	0.4
143.08662	0.5
145.10118	1.4
146.07318	0.4
146.10916	2.5
159.11710	3.3
161.05971	2.8
161.09659	3.5
161.13263	83.8
162.05492	0.6
162.13574	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.54703	0.6
53.03948	2.6
55.01878	1.5
55.05503	1.3
57.03015	0.6
59.40172	0.6
59.70999	0.6
65.03944	3.9
66.04728	2.5
67.05510	1.7
69.07070	0.9
69.53922	4.1
72.67294	0.6
77.03970	0.6
79.05495	18.5
81.03414	0.9
81.07048	3.2
89.03925	0.6
90.04721	3.1
90.11207	0.6
91.05486	10.8
93.03375	0.8
93.07061	3.8
95.04975	2.5
95.08595	0.8
98.20827	0.8
102.04675	1.0
103.05468	17.2
105.03397	0.6
105.04528	1.5
105.07034	60.6
115.05458	2.2
115.09525	1.0
117.07020	2.7
117.45086	0.6
118.04165	21.6
118.06516	1.2
119.08579	33.2
121.10174	0.8
128.06224	0.7
131.04892	0.7
131.08563	2.1
133.06494	100.0
133.10127	13.6
134.06834	1.8
143.08557	1.0
144.08157	0.7
146.07283	1.4
146.11000	0.6
152.19019	0.5
161.05980	54.3
161.09598	7.1
161.13251	19.0
162.06384	1.0
162.09105	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.12779	0.4
51.02389	0.5
53.03953	2.9
55.01881	5.1
55.05515	1.4
56.96572	3.7
57.03432	0.4
59.67221	0.3
65.03931	0.7
66.04726	1.3
67.05514	0.6
69.03445	0.9
69.07064	1.2
69.14334	0.4
71.06412	0.8
77.03952	0.8
78.92528	0.3
78.93115	0.4
79.05498	17.6
81.03419	0.5
81.07060	1.1
84.04504	0.6
88.15304	0.3
89.03921	1.3
90.04697	2.9
91.05490	9.6
91.96426	0.3
92.02657	0.5
93.07061	2.3
95.04984	3.3
98.97585	0.6
101.00902	0.5
101.95043	1.2
102.04694	0.7
102.96877	0.6
103.05476	22.3
104.05785	0.4
105.03410	1.4
105.04543	1.1
105.07037	100.0
106.06600	0.6
106.07373	1.8
107.04980	1.6
112.45959	0.3
113.02483	0.7
115.05459	26.9
116.04946	0.6
116.98601	0.5
117.07034	2.6
118.04171	15.6
119.01933	3.1
119.08587	12.3
119.96068	0.4
120.08114	12.4
121.06509	2.7
122.03101	0.4
126.09148	0.4
128.06229	1.9
131.04936	4.4
131.08571	1.4
132.05750	0.9
133.06502	44.4
133.10136	10.2
134.05956	0.5
134.06854	1.2
137.02992	0.7
143.05000	0.6
143.06049	4.4
143.08514	2.2
144.08102	0.5
145.06482	0.7
146.03632	1.6
146.07266	4.6
148.01183	0.4
161.05968	11.0
161.07144	5.2
161.09621	18.6
161.13248	7.1
162.09019	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10360	0.2
54.34884	0.2
55.05521	0.2
56.00895	0.2
56.05042	0.5
56.96552	0.4
57.03434	0.3
60.08175	0.5
60.76215	0.2
68.99802	0.3
69.03440	0.3
69.85117	1.2
73.02881	0.3
75.21817	0.2
81.03429	0.3
82.99848	4.3
84.08137	0.5
85.02914	0.7
87.04460	0.2
91.35764	0.2
97.02884	0.6
100.02479	0.7
101.00894	38.9
102.00957	1.8
102.05565	0.6
103.00628	0.9
103.02463	0.3
105.07056	0.4
107.04965	0.7
109.02889	0.3
111.02930	0.4
115.02427	0.4
119.01935	100.0
120.02015	4.4
121.01673	1.0
129.03951	0.5
131.01892	0.3
133.01680	0.9
133.03470	1.0
133.06561	0.3
137.02971	20.2
138.03081	0.7
142.03505	1.5
143.01936	1.1
143.03693	1.3
144.03285	0.3
147.34196	0.2
151.02695	0.3
156.97472	0.7
157.03545	0.4
161.02971	5.4
161.04448	0.3
161.12891	0.5
173.06549	0.2
179.02408	0.2
179.04031	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	161.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
60.51863	0.2
69.64393	0.6
69.64816	0.4
82.99857	4.3
98.97606	0.3
101.00896	40.5
102.00954	1.6
102.96906	0.3
103.01312	0.2
103.55769	0.2
111.00449	0.3
119.01938	100.0
120.02017	4.3
121.01645	0.2
121.02422	0.3
124.02441	0.3
133.03468	0.4
137.02977	19.0
138.03119	0.6
142.03529	1.5
143.01883	0.4
143.03630	1.0
144.03230	0.3
144.49854	0.2
145.87891	0.2
161.02983	4.4
161.04611	0.6
179.04047	4.8
180.04172	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.2
53.00312	5.0
53.03942	1.2
55.01856	0.3
57.21842	0.3
65.03945	100.0
66.04278	1.2
67.03003	0.4
67.05517	0.7
68.27658	0.2
73.22438	0.3
77.03935	3.3
79.01861	3.4
79.02957	0.4
79.05505	1.0
83.04987	3.9
84.27083	0.3
91.01844	0.3
91.05499	0.7
93.03410	15.6
93.04545	0.8
95.04985	1.3
98.21594	0.8
103.05493	1.2
105.03400	3.6
105.04534	1.0
105.07045	2.1
106.06576	0.3
107.01320	2.5
109.02953	0.4
113.02381	0.3
115.05505	0.3
117.07076	0.5
118.04168	1.3
119.08619	1.0
120.05590	2.1
121.06403	1.4
124.07619	0.4
133.02893	0.5
133.06503	6.7
133.07457	0.5
133.10194	0.5
134.07162	0.5
151.03893	0.4
161.06006	4.1
161.07005	0.3
161.08257	1.8
161.09674	1.7
161.13316	1.0
161.41614	0.3
179.03407	9.2
179.04924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.05515	0.7
56.96568	3.8
58.34138	0.4
65.03939	0.7
67.05511	3.7
69.97660	1.3
76.92868	1.6
76.93375	1.9
78.03279	0.4
79.05508	2.9
81.07060	1.3
91.05483	17.8
92.05811	0.4
93.07079	0.7
95.05010	0.4
95.52734	0.6
97.46709	0.5
98.97602	3.5
100.45624	0.4
103.05479	1.5
105.07037	21.3
107.22282	0.5
113.02394	1.1
114.09181	1.0
115.05467	5.6
116.06276	3.4
116.98634	2.4
117.01866	0.5
117.07020	34.9
117.95989	2.0
118.06576	0.6
118.07343	0.9
118.96719	0.5
119.08583	10.2
126.55343	0.9
128.06232	2.1
129.07011	19.9
130.07799	21.4
131.08572	85.2
132.08904	2.4
134.99638	0.7
135.55846	1.0
135.97017	0.6
135.99989	0.5
141.01807	2.8
142.07773	2.2
143.08592	1.1
144.05701	0.6
144.09346	22.3
145.09874	0.4
152.86708	0.4
157.10135	4.1
159.08057	2.0
159.09134	2.7
159.11696	100.0
160.09627	0.8
160.12039	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	160.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
55.05506	0.7
56.96570	1.5
59.04999	0.2
59.93102	0.5
60.99165	0.3
65.03934	0.7
67.05508	0.3
70.06605	0.4
71.54713	0.4
79.05511	0.5
83.04984	0.6
85.99286	0.2
86.06081	0.3
88.98680	0.5
90.03436	0.7
91.05489	1.0
92.05010	2.2
96.08138	1.5
98.97587	0.9
99.97913	0.6
100.07661	0.5
100.98083	0.3
101.94965	0.3
103.05497	0.5
105.03416	0.2
105.04526	3.4
105.07042	2.0
106.01279	0.8
113.02562	0.4
114.05564	0.4
114.09186	3.5
114.12824	0.9
115.05430	0.4
116.98644	0.8
117.05824	0.4
117.07001	0.4
117.98984	0.2
118.01268	0.7
118.04193	0.2
118.06582	1.6
118.96766	1.3
118.98229	0.3
119.01930	0.7
119.08548	0.5
122.03102	0.7
128.10724	0.7
132.05592	14.0
132.08112	1.0
133.06454	0.3
133.10147	0.3
135.05568	2.8
140.18060	0.2
142.02272	0.3
142.03479	0.5
142.08638	1.0
154.59138	0.6
154.96501	0.7
160.05081	100.0
160.09566	2.6
160.13329	1.1
161.05453	1.6
161.07115	0.5
161.09682	0.9
161.13266	0.5
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
53.03948	0.6
56.96302	0.6
56.96569	9.6
57.07055	0.4
67.05511	2.7
69.07075	9.7
70.06589	0.7
71.04985	0.5
71.55173	0.5
71.95261	0.7
76.92860	6.2
76.93357	3.2
79.05487	1.4
81.03410	0.6
81.07059	2.0
83.04983	0.5
91.05489	8.5
93.07044	0.6
94.94447	0.9
96.08134	0.7
98.97578	2.7
99.97887	0.5
103.05470	1.4
105.04522	0.4
105.07040	16.0
113.02377	1.6
114.09155	2.0
115.00721	2.3
115.05461	3.3
116.06239	1.2
116.98652	2.5
117.07026	25.7
117.96005	3.1
117.98983	0.8
118.06587	0.9
118.96758	0.7
119.08584	10.5
128.06207	2.2
129.07016	21.5
130.07809	6.8
131.04965	0.6
131.08575	34.1
132.08099	0.8
133.01730	1.2
134.99692	1.0
135.97041	1.0
136.00105	0.5
141.01836	5.6
142.07777	1.5
142.08720	0.6
143.08582	2.0
144.06839	1.2
144.09352	32.1
145.09740	0.8
147.03207	0.4
157.10136	3.7
159.08049	1.6
159.09164	6.3
159.11700	100.0
159.15681	2.1
160.09676	1.4
160.12039	2.8
164.04201	0.8
171.03340	0.9
173.04878	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03947	0.5
55.05519	0.6
56.96555	1.2
57.03438	0.6
65.03935	0.4
67.05512	2.6
69.03416	0.4
70.06577	0.4
71.04990	0.4
72.04510	0.5
74.32539	0.4
76.92862	3.6
76.93361	2.0
79.05486	2.0
81.07049	1.2
85.02904	0.5
91.05487	10.2
93.07040	0.9
94.94415	0.6
95.04939	0.6
96.08116	0.5
98.21593	1.1
98.97581	1.3
99.10059	0.6
103.05460	1.8
105.07036	22.4
113.02371	1.1
114.09154	2.2
115.05463	3.8
116.06217	2.1
116.98621	0.7
117.07026	29.6
117.95983	1.5
118.06555	0.7
118.07425	0.5
119.08589	8.1
128.06227	1.2
129.07011	13.8
130.07799	9.4
131.08572	51.5
132.08058	0.7
132.08949	0.7
135.97046	0.5
141.01837	4.2
142.07770	1.6
142.08725	0.6
143.08603	1.1
144.05675	1.1
144.06841	0.7
144.09352	20.6
145.09734	0.5
157.10152	4.4
158.43449	0.5
159.08047	5.7
159.09183	4.6
159.11696	100.0
159.15788	2.4
160.09679	1.2
160.12035	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	159.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.4
53.95110	0.3
55.01875	0.6
55.05523	0.4
55.63860	0.3
56.96569	30.6
57.03007	0.5
57.03148	0.5
57.03440	21.3
57.07078	51.1
58.07409	0.7
67.05499	0.7
69.03434	0.4
69.53217	0.7
69.53628	1.6
70.06590	1.0
71.04993	0.6
71.95265	6.4
72.96057	0.9
75.04449	0.4
76.92921	0.6
76.93371	2.6
81.03400	0.4
81.07061	0.6
82.76550	0.3
84.96037	0.4
85.02910	0.6
85.06547	4.7
91.05493	2.0
94.94456	0.6
95.04976	1.5
95.08641	0.5
98.97589	100.0
99.97937	1.3
102.04710	0.5
103.05475	31.4
103.07585	11.8
104.05782	0.4
105.03384	1.5
105.04501	0.7
105.07037	1.2
113.02388	1.8
113.05945	0.5
114.05525	0.6
114.09167	1.6
115.05437	0.6
116.06216	0.4
116.98626	50.3
117.07021	1.9
117.95988	1.9
117.98969	1.0
118.96782	0.6
119.08560	0.9
129.07007	0.9
130.07797	0.4
131.00215	0.6
131.04929	25.2
131.08582	3.6
132.04292	0.4
132.05460	0.5
132.08044	0.7
134.99661	17.8
135.96968	0.7
136.00017	0.8
140.00201	2.4
141.01822	5.7
144.09367	1.8
149.05975	0.6
153.00734	0.7
153.96735	0.5
158.01248	1.2
159.03154	0.4
159.04424	8.5
159.06920	0.4
159.08044	1.1
159.09166	1.4
159.10158	10.7
159.11688	6.1
159.15735	1.1
160.05083	3.4
160.07495	0.8
160.09669	0.5
160.12099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0814
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
54.03494	0.5
55.01880	5.5
56.96560	3.5
57.03421	1.1
57.93578	0.5
62.57037	0.5
63.67032	0.4
67.05499	0.6
68.05025	1.4
69.03432	2.1
69.07061	0.5
70.06599	7.1
71.27227	1.0
71.95258	0.7
72.04494	1.1
72.08162	0.6
75.94633	0.5
79.05507	0.6
80.05010	0.7
81.03419	1.1
81.05798	1.6
84.04509	6.5
84.08138	1.4
86.06095	0.8
87.04490	4.5
94.05952	0.7
94.06572	24.0
95.07374	5.8
96.04496	27.5
96.08141	8.5
98.06059	21.4
98.09715	0.5
98.97591	27.2
102.05534	0.8
112.07620	6.7
112.55759	1.1
114.05540	23.4
116.07176	0.5
116.97306	2.5
116.98625	10.8
122.06039	7.8
134.95877	0.6
134.99672	3.1
138.05495	2.0
140.07074	100.0
141.07413	1.6
152.97006	0.7
158.08141	29.5
158.11810	0.6
158.15390	0.9
178.45097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.7
55.05520	7.1
56.05036	6.6
56.96570	13.1
57.03185	0.8
57.03445	10.0
57.93561	1.7
58.06618	0.7
60.04531	30.8
61.14418	0.5
67.05523	0.9
67.20753	0.4
69.03426	0.6
69.07073	9.4
69.88263	2.5
70.06590	4.0
71.05005	0.9
71.08651	0.7
71.95276	3.3
73.02931	0.7
73.27206	0.4
73.74439	0.5
74.05717	0.6
74.06091	6.1
75.94604	0.4
79.05492	5.7
81.03413	1.3
81.07064	41.7
82.07392	0.6
84.04511	1.3
84.08156	0.9
85.02904	0.9
86.09711	11.1
88.79123	0.4
95.04959	0.5
96.01569	1.1
97.96839	1.1
97.99174	0.6
98.06040	2.2
98.09704	36.6
98.97593	100.0
99.04461	0.6
99.08099	27.0
99.09993	0.8
102.09158	0.6
103.05515	0.6
108.27910	0.4
109.02885	0.7
110.01302	0.7
110.97575	1.1
112.02819	0.5
112.07626	2.2
113.02549	0.6
115.05403	0.7
116.07098	1.9
116.09916	0.5
116.10739	9.7
116.97237	4.8
116.98628	51.3
117.02076	1.3
119.01768	1.1
122.03122	0.6
126.02608	0.7
128.02306	1.1
128.10728	9.4
128.75586	0.4
128.98505	0.4
130.06505	3.5
130.28951	0.4
131.00154	0.9
134.95958	0.9
134.99666	17.7
135.03204	0.4
135.67308	0.5
137.53406	0.6
140.00212	2.2
140.07059	1.4
140.10706	3.1
140.14354	0.9
141.01768	0.8
143.08302	0.5
144.18272	0.5
152.96910	1.6
153.00674	1.3
158.01280	1.0
158.06116	2.2
158.08138	1.8
158.09659	5.5
158.11777	22.9
158.15382	5.7
159.08067	0.6
159.09239	0.7
159.11826	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.077
Annotation	L-Histidine
Peak:m/z	Relative Intensity
54.16975	0.2
55.01882	0.6
56.05030	1.2
57.03437	0.8
58.06610	0.3
58.99864	0.3
61.02933	0.4
68.05010	1.0
69.17444	0.4
69.17848	1.7
70.95872	1.2
70.99872	0.7
72.93798	0.8
73.01438	0.3
73.02927	0.6
77.00930	0.3
78.52963	1.2
79.03025	0.4
81.04546	0.8
82.01446	1.8
82.05332	2.5
82.06583	0.4
82.99845	1.8
83.01514	0.4
83.06110	10.8
84.04509	0.3
84.99300	0.3
85.01417	0.8
85.02915	0.3
89.00901	0.3
91.02499	0.2
92.52696	0.5
93.04533	7.7
95.01347	0.6
95.06103	7.3
96.04506	1.0
97.01374	0.3
97.03891	0.2
98.09699	1.4
100.00111	0.3
100.02482	3.4
101.00890	18.2
101.02586	0.9
101.53261	0.3
102.01015	0.7
102.02257	0.5
102.53139	0.2
103.02454	1.8
110.07173	100.0
111.05585	0.8
111.06849	0.4
111.07562	1.0
111.98500	0.4
113.00862	0.5
114.00929	0.3
114.04037	0.6
115.00643	0.4
115.01381	0.3
115.01689	0.3
115.02441	2.0
117.01873	0.3
118.03535	0.6
119.01929	32.3
120.02034	1.4
121.03498	0.3
124.02457	2.4
129.03894	0.2
131.01945	1.0
132.02052	0.6
132.05084	0.9
132.95831	1.8
133.01736	1.3
133.03473	6.9
134.03580	0.5
135.07666	0.2
137.01961	0.5
137.02962	5.5
138.03085	0.4
138.04120	0.3
138.05519	0.4
141.02719	0.2
141.48080	0.2
142.03514	16.1
143.03658	0.6
150.96921	1.7
151.04543	1.5
156.05090	0.9
156.06410	0.4
156.07695	7.9
156.13905	0.2
157.09697	0.4
160.04562	3.2
161.02980	0.3
165.05087	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
56.05041	1.1
56.96568	0.2
57.03439	1.0
58.06604	1.4
58.99870	0.4
61.02924	0.2
68.05042	1.3
69.03434	0.4
69.19569	1.6
70.06602	0.2
70.95875	1.2
70.99860	0.3
71.01360	0.2
71.04996	0.2
72.52956	0.2
72.93801	0.9
73.02928	0.5
74.09731	0.4
77.00903	0.3
78.52954	0.8
78.53370	0.2
79.03036	0.2
81.03431	0.3
81.04539	1.2
82.01454	1.5
82.05325	2.9
82.99844	1.6
83.01525	0.2
83.06109	11.9
84.04491	0.2
84.99294	0.2
85.01408	0.7
85.02921	0.3
86.06097	0.2
86.52688	0.3
86.99324	0.2
88.96896	0.4
89.00888	0.2
90.94839	0.2
92.52695	0.8
93.04533	8.1
95.01311	0.5
95.06097	7.2
96.04489	0.9
98.09693	1.4
100.00101	0.4
100.02489	3.1
101.00887	19.0
101.02548	0.7
102.00952	0.9
102.02308	0.2
103.02451	2.3
109.52956	0.2
110.07172	100.0
111.05576	0.7
111.06831	0.2
111.07521	0.9
111.09200	0.6
111.98495	0.5
113.00845	0.4
114.00967	0.4
114.04053	0.6
115.00629	0.4
115.02452	1.6
117.01852	0.3
118.01146	0.6
118.03519	1.3
119.01928	47.8
120.02000	1.8
121.02518	0.2
121.03432	0.7
124.02464	2.7
129.99510	0.2
130.06377	0.4
131.01923	1.1
132.01997	1.6
132.05089	0.8
132.95836	1.5
133.01688	1.7
133.03473	8.1
134.03563	0.6
135.03177	0.3
137.02965	10.8
138.03026	0.4
138.03999	0.2
138.05534	0.3
141.02705	0.5
142.03511	21.1
143.01883	0.2
143.03630	0.7
144.05074	0.2
145.03490	0.2
147.03836	0.2
149.02969	0.2
150.03090	0.4
150.96892	1.7
151.02692	0.3
151.04535	2.3
152.04617	0.3
154.03574	0.2
155.97420	0.2
156.04053	1.0
156.05110	0.7
156.06354	0.4
156.07689	7.3
156.10255	0.5
156.13803	0.4
157.03441	0.3
157.09735	0.5
160.02286	0.2
160.04573	4.5
161.03078	0.3
161.04706	0.2
165.05098	0.3
174.06023	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.034
Annotation	neopatulin
Peak:m/z	Relative Intensity
53.00304	0.3
53.03955	1.6
55.01876	0.7
55.05508	1.6
55.93496	0.3
56.96564	0.9
57.03439	0.6
57.07083	0.4
65.03934	0.6
67.01870	1.4
67.05510	2.5
68.99794	9.3
69.03432	1.8
69.07068	0.4
69.96226	0.3
70.95870	1.5
71.01351	2.0
71.04993	1.1
71.55087	0.3
72.93793	38.6
79.05466	0.4
80.72559	0.3
81.03423	9.7
81.07057	1.7
82.06607	0.3
83.04987	2.0
85.02910	1.3
85.06546	0.4
88.96909	0.4
89.02398	0.4
90.94832	9.9
91.05491	0.4
93.03413	0.3
95.01353	0.3
95.04995	2.2
95.08609	1.2
96.04475	0.4
97.06519	0.4
97.08494	0.3
98.09701	2.0
98.98476	1.7
99.04467	2.9
100.94374	0.4
108.95857	1.0
109.02888	7.0
109.06447	0.6
109.10155	1.4
110.06040	0.5
110.07193	0.6
111.04452	1.8
111.98480	1.0
112.01634	0.3
113.02443	0.3
113.06027	1.5
113.96407	20.8
123.04447	0.6
123.35649	0.3
127.03924	33.4
127.07553	0.8
127.08560	0.3
128.04242	0.4
129.64430	0.3
131.96347	0.4
131.97443	12.1
132.95857	2.8
137.02328	1.2
137.03381	0.6
137.05957	0.6
141.39981	0.3
149.97223	1.0
150.96930	3.3
153.01843	8.5
153.07018	0.3
154.99055	1.1
155.03400	100.0
155.07022	3.8
155.08534	1.5
155.12622	0.7
156.03773	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1068
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03949	4.6
55.01878	3.6
55.05274	1.7
55.05519	26.4
55.93529	1.8
56.96295	1.7
56.96571	26.3
57.03437	3.8
57.07073	3.5
57.98963	0.9
59.05002	3.4
65.03954	4.5
67.05511	68.5
69.03434	3.7
69.07067	7.1
70.95878	13.0
71.01366	13.0
71.05001	59.7
71.54979	1.1
71.95261	2.3
72.93797	100.0
73.93849	1.0
79.05507	8.8
80.80280	0.9
81.03423	4.4
81.07064	45.9
82.06603	1.4
83.04990	9.4
83.08630	1.5
85.02895	1.5
85.06576	4.8
86.00668	1.1
88.96902	2.1
90.94836	22.5
91.05486	6.6
93.07043	7.9
95.04373	1.8
95.04979	34.7
95.08617	44.1
97.06522	2.3
97.99172	1.0
98.09705	5.1
98.98466	1.6
99.04467	38.5
99.08103	3.7
101.06002	1.1
101.67876	1.1
107.08614	3.0
108.95863	1.1
109.02893	7.4
109.06524	15.9
109.10166	64.0
110.03121	2.2
110.06036	1.9
110.07171	2.1
110.49729	0.9
111.04443	5.0
111.08082	6.2
111.98482	5.3
112.01620	1.1
113.06017	9.5
113.96414	53.1
115.02314	3.1
119.03606	2.2
119.08553	1.9
123.04432	7.5
124.02859	2.5
124.99133	2.6
127.03934	10.1
127.07558	2.6
128.97842	1.6
129.99496	2.1
131.96194	5.0
131.97449	27.2
132.95837	17.6
133.03351	2.6
135.30762	0.9
137.06010	4.1
137.07915	2.6
137.09613	9.6
138.05463	1.0
140.04710	2.1
142.03859	1.3
143.00165	9.4
149.97200	4.2
149.98827	0.9
150.96909	21.5
154.90800	1.2
154.99030	1.2
155.02330	1.1
155.03398	6.8
155.07062	14.7
155.09007	11.8
155.10609	7.3
155.97432	1.3
156.13873	1.6
161.01236	13.6
168.98082	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	154.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01866	0.7
55.05268	0.4
55.05515	5.7
56.05021	0.9
56.96563	2.3
57.03420	0.4
57.07059	0.6
58.06580	0.5
65.03934	0.9
67.05506	3.4
68.05025	1.4
68.96329	1.7
69.03426	2.0
69.07063	0.8
70.06609	2.2
70.18678	0.3
70.94247	0.9
71.01351	0.7
71.05000	2.5
71.13335	0.8
71.94108	1.8
71.95262	2.2
72.08156	0.5
72.93795	10.8
79.05509	2.8
80.05015	0.6
81.03431	0.5
81.07063	9.1
82.06590	1.7
82.07365	0.7
83.04962	0.7
83.07324	0.5
83.08619	1.2
84.04507	0.9
84.08146	0.8
85.02904	0.5
85.33858	0.3
86.97382	0.3
87.04471	0.6
90.94843	2.4
91.05479	1.4
92.05787	0.3
93.05770	0.8
94.06564	1.7
94.07428	0.4
95.04971	2.8
95.08611	2.5
96.04483	0.9
96.05284	1.6
96.08142	2.7
97.05260	2.6
97.06516	0.6
98.06075	2.8
98.09698	1.9
99.04458	1.7
100.03960	0.6
108.04481	0.4
108.07373	0.3
108.08110	5.0
109.02896	0.5
109.06527	5.4
109.10147	2.8
109.98927	0.5
110.06052	4.7
110.10500	0.3
111.04435	0.7
111.06840	3.7
112.96716	0.6
113.06001	0.4
113.96407	5.9
115.00696	0.4
118.06577	0.6
121.84820	0.3
123.04469	0.7
124.07568	0.6
125.08378	0.9
126.05506	0.5
126.09157	5.6
127.03911	0.7
130.54370	0.4
130.96317	2.3
131.00124	0.4
131.96185	0.7
131.97435	2.9
133.01736	0.6
136.03940	0.9
136.07582	2.6
136.11969	0.4
136.70195	0.3
138.05499	0.8
139.03850	0.3
139.06291	4.6
148.97365	2.1
149.97206	0.4
152.07127	0.4
154.05177	2.6
154.08635	100.0
154.12151	4.4
154.90736	0.4
155.03351	0.4
155.07016	0.7
155.08952	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70096	0.2
53.03939	1.0
54.03481	0.4
55.01865	0.8
55.05273	0.3
55.05518	5.6
55.93492	0.3
56.05022	0.8
56.96570	1.5
57.03436	0.5
57.59725	0.2
58.06601	0.5
65.03944	0.4
66.04292	0.2
67.01865	0.3
67.05514	1.4
68.05037	3.0
68.96338	1.7
69.03438	3.0
69.07063	0.5
70.06598	3.2
70.94269	1.3
71.01363	0.2
71.04998	0.4
71.94110	1.3
71.95260	1.8
72.08157	0.3
72.93401	0.5
72.93798	8.5
79.05492	3.0
80.05024	3.8
80.05787	0.3
81.03403	1.1
81.07063	8.7
82.06581	2.4
82.07362	0.4
83.04987	1.4
83.07345	0.5
83.08643	1.3
84.04511	0.9
84.08144	1.1
85.02929	0.7
86.97383	0.6
87.04471	3.2
88.95315	0.5
90.94827	2.6
91.05509	1.5
93.03416	0.4
93.05791	1.1
93.07037	0.5
94.06582	1.9
94.07085	0.3
95.04977	2.3
95.08606	0.6
96.04488	0.6
96.05286	0.4
96.08144	3.6
97.05292	3.3
97.06513	0.4
98.06077	3.0
98.09692	2.8
98.20716	0.5
99.04451	0.4
100.03986	0.4
103.49490	0.2
108.04469	0.6
108.05222	0.3
108.08131	5.8
108.08868	0.4
108.95901	0.3
109.02895	1.7
109.06523	6.3
109.10157	0.9
109.98957	0.6
110.06059	4.8
111.04452	1.0
111.06838	3.7
112.04007	0.4
112.04785	0.5
112.07590	0.8
112.11253	0.4
112.96719	0.4
112.99142	0.4
113.06016	0.5
113.96410	5.8
118.06567	1.6
119.97346	0.4
123.04442	0.6
123.06796	0.4
124.07605	1.0
125.08376	0.9
126.05509	0.9
126.06343	0.4
126.09165	6.0
126.09964	0.3
127.03944	2.4
127.04846	0.4
127.07586	0.4
128.00003	0.3
128.97865	0.5
130.96324	2.4
131.00180	0.7
131.48045	0.3
131.96246	0.4
131.97440	2.8
134.44363	0.2
136.03944	1.0
136.07590	11.7
137.05998	0.8
137.09593	0.2
138.05507	1.2
139.06290	6.4
148.97382	3.4
149.01237	0.5
149.97244	0.9
152.07047	0.5
154.05075	4.1
154.08640	100.0
154.12210	6.4
154.90744	0.3
155.03401	0.9
155.07063	1.8
155.09021	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00312	1.7
53.03940	3.7
55.01867	2.6
55.05513	14.5
56.96569	1.2
57.03438	2.4
57.07070	2.8
57.67314	1.2
59.05005	6.6
65.03930	5.8
67.05496	8.1
69.03440	2.7
69.07068	12.4
70.82828	3.9
70.94264	2.6
71.04996	29.6
71.95274	1.4
73.06553	21.5
75.47551	1.2
79.05066	2.2
79.05494	31.1
80.05024	1.5
81.07058	100.0
83.04978	6.0
83.08620	2.0
85.02852	1.5
91.05484	10.7
93.03409	4.8
93.07048	51.5
95.04967	6.0
95.08609	9.6
96.08138	1.4
97.06539	16.4
105.07027	1.8
107.04980	2.3
107.08596	42.8
109.06534	6.2
109.10134	8.1
110.03658	2.0
111.04444	8.1
111.08083	6.6
119.08571	1.9
125.06024	4.0
125.09629	1.8
135.11700	24.8
136.07648	1.4
138.03131	1.5
153.01833	5.8
153.04257	1.3
153.05489	5.8
153.06789	1.3
153.09120	3.0
153.12741	13.5
154.12334	2.3
171.37871	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00312	1.6
53.03947	5.6
55.01857	1.8
55.05514	14.0
56.96566	2.5
57.03429	1.8
57.07080	2.4
59.05000	9.3
60.12567	1.4
65.03946	12.1
67.05520	9.7
68.05043	2.4
68.99803	1.5
69.03432	4.5
69.07074	13.6
70.70444	3.8
70.94265	7.1
70.95864	1.6
71.04998	32.3
71.95220	1.7
73.06567	23.4
77.03922	1.4
79.05502	37.1
80.05014	2.7
81.03411	1.7
81.07062	100.0
82.97469	1.4
83.05009	6.0
83.08638	3.0
85.06558	1.3
87.04472	2.5
88.95214	1.2
91.05482	15.2
93.03404	7.6
93.07052	51.7
94.07359	1.7
95.04973	32.9
95.05566	2.3
95.08619	11.4
96.08146	2.2
97.06544	14.2
97.10245	1.5
103.43999	1.4
105.04517	1.7
105.07034	3.7
107.04961	4.9
107.08606	51.7
108.08919	1.6
109.06537	10.7
109.10156	13.0
110.03666	4.2
111.04463	15.0
111.08093	12.0
111.96880	4.6
117.07001	1.5
119.08581	3.5
121.06536	1.3
125.02425	1.6
125.06004	8.7
125.06887	1.1
125.09688	1.7
129.84196	1.1
129.97964	2.6
135.04446	1.8
135.08066	3.6
135.11708	26.1
136.07587	7.6
136.12025	1.2
136.16141	1.4
138.03142	3.5
138.06868	1.3
141.03419	1.1
145.87227	1.1
153.01862	6.1
153.05508	10.0
153.06659	1.9
153.07260	1.5
153.09143	6.8
153.10182	1.5
153.12767	17.2
154.04974	2.3
154.08650	1.7
154.12250	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00298	1.6
53.03940	3.0
55.01878	1.8
55.05520	16.6
57.07050	2.1
59.05006	8.4
60.38108	1.6
65.03936	4.7
67.05518	8.1
69.03426	3.0
69.07075	13.5
70.27484	3.5
70.94250	2.6
71.05003	35.1
73.06566	17.5
75.62201	1.5
79.05503	28.1
81.07067	100.0
83.04973	3.0
83.08578	1.7
91.05515	11.9
92.33565	1.7
92.78160	1.5
93.03397	4.4
93.07052	47.3
95.04993	12.8
95.08614	11.6
97.06544	9.1
97.07056	1.7
103.84762	1.9
105.07047	2.9
107.04979	2.0
107.08611	41.0
109.06493	2.8
109.10142	7.2
111.04437	4.7
111.08099	8.1
111.96924	1.9
112.25233	1.7
125.06017	2.4
135.11702	21.4
153.01834	2.4
153.05516	1.9
153.09106	3.0
153.12712	10.7
161.28885	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03942	4.8
55.01869	3.6
55.05515	11.6
55.65091	1.0
56.96572	24.2
57.03427	3.0
57.07072	2.6
58.25106	1.0
59.05006	2.1
59.17244	0.9
65.03947	26.2
67.05509	20.8
67.62598	1.1
68.05042	2.8
68.96322	1.5
68.99804	1.9
69.03432	8.5
69.06722	1.8
69.07072	21.8
70.06567	1.2
70.07395	1.3
70.94263	14.0
70.95862	3.9
71.04992	3.5
71.06128	1.6
71.06465	1.4
71.45614	1.1
71.94106	2.2
71.95258	2.8
73.06560	1.4
73.83274	1.0
75.04483	2.3
77.03948	1.2
78.30405	0.9
79.05500	21.6
80.05028	2.5
81.03421	2.5
81.07070	19.8
82.04211	1.4
83.04990	13.8
83.08617	4.9
85.02895	1.4
85.06555	1.2
87.04481	4.4
88.95308	3.9
89.01579	1.1
90.31519	1.1
91.05492	21.9
92.83769	1.2
93.03415	22.1
93.07050	77.4
94.06534	1.0
94.07389	1.7
95.04978	12.7
95.08617	58.6
96.02341	3.4
96.08142	2.7
97.02888	2.8
97.06535	23.4
98.02060	3.6
103.05498	2.2
103.47520	1.3
105.02843	16.5
105.07025	3.4
105.52995	2.7
107.02601	3.3
107.04971	8.3
107.08601	100.0
108.08125	1.1
108.08931	2.6
109.06523	7.2
109.10165	22.9
110.03677	4.5
111.04450	41.8
111.08084	12.7
111.11691	1.2
111.96871	7.5
113.02565	1.9
114.03358	12.6
114.53603	1.2
115.05460	3.9
116.53638	2.3
117.07018	4.6
118.01814	5.7
119.02573	4.5
121.02863	7.1
121.06535	4.4
122.03110	1.6
125.02418	1.1
125.06014	21.4
125.09589	2.1
126.05492	1.3
126.09119	2.0
127.02331	3.5
128.03091	2.2
129.17128	1.1
129.97903	4.8
135.04416	3.7
135.08041	5.5
135.11707	44.2
136.02831	3.9
136.03856	1.3
136.07582	8.2
138.03154	1.5
138.06761	2.3
141.02039	3.1
143.04935	1.3
145.03401	1.5
148.97383	2.4
153.01848	24.2
153.05467	11.8
153.09122	11.6
153.10199	1.9
153.12755	26.4
153.13840	2.1
154.04996	3.9
154.08630	3.1
154.12296	4.0
161.05894	1.4
169.40154	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00293	2.8
53.03938	6.1
55.01864	4.9
55.05520	15.3
55.13791	1.7
56.96558	6.9
57.03437	2.7
57.07076	2.3
59.05018	9.1
65.03947	19.0
66.98466	1.7
67.05512	10.7
68.05024	2.0
68.25369	1.7
68.99796	1.7
69.03425	6.6
69.07080	13.8
70.21427	3.6
70.21803	5.4
70.94236	4.9
70.95866	2.3
71.04663	2.3
71.05009	37.1
73.06567	23.9
76.76884	2.0
79.05505	40.0
81.07066	100.0
82.07397	1.9
83.04980	7.0
83.08606	3.4
86.33502	1.6
87.04471	2.7
87.08222	1.7
90.61874	1.6
91.05508	15.6
93.03403	10.2
93.07051	51.0
95.04952	12.7
95.08614	11.9
97.06547	15.0
105.04539	2.0
105.07047	4.1
107.04992	9.2
107.08609	47.6
109.06551	10.4
109.10165	10.6
110.03694	3.0
110.44924	2.1
111.04466	18.0
111.08113	12.2
111.96875	4.1
117.06996	3.5
119.08617	1.8
125.05991	12.0
125.09616	4.2
126.09142	2.1
135.04468	4.3
135.08057	7.3
135.11713	25.7
136.07587	8.5
136.12050	3.5
138.03136	4.3
153.01855	8.6
153.05516	11.2
153.07413	5.3
153.09158	8.4
153.12766	15.2
154.05006	2.2
154.08701	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.74222	1.1
53.03938	2.8
55.01867	3.8
55.05516	22.4
56.96560	2.2
57.03427	4.2
57.07080	8.1
59.05009	6.2
65.03947	12.3
67.05505	13.1
67.40917	1.1
68.05041	2.2
69.03430	8.5
69.07075	26.9
69.44660	9.3
70.06598	3.1
70.94253	4.2
70.95851	2.2
71.04997	21.4
73.06556	13.7
76.18996	1.2
79.05495	32.0
81.07061	83.5
82.09824	1.2
83.04991	8.6
83.06081	2.7
83.08611	4.5
84.04452	1.4
85.02875	1.2
85.06549	1.6
91.05483	13.5
93.03414	8.8
93.07052	38.2
95.04974	85.9
95.08611	12.7
96.08116	1.7
97.05285	2.3
97.06543	26.3
98.06062	2.4
98.21574	2.0
105.07035	4.5
107.04949	5.5
107.08598	39.6
108.08121	2.5
109.06518	19.5
109.10165	12.5
110.03656	3.6
110.06028	4.5
111.04442	11.6
111.05579	19.2
111.06822	3.7
111.08089	16.0
111.11687	3.0
111.96889	1.9
112.48091	1.2
119.08578	1.9
125.06011	8.2
125.09639	2.6
126.09164	3.3
132.34270	1.1
135.08038	3.5
135.11711	20.7
136.07590	4.7
137.07100	1.2
138.03114	4.2
139.06282	4.9
148.97339	1.5
153.01819	4.1
153.05487	9.3
153.07536	1.7
153.09088	8.0
153.10249	8.8
153.12752	21.2
154.08638	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	(+)-PERILLYL ALCOHOL
Peak:m/z	Relative Intensity
53.03939	2.6
55.01868	1.6
55.05517	11.6
56.96556	3.2
57.03452	5.7
57.07066	3.0
59.04998	1.9
59.71593	0.8
65.03946	6.4
65.29703	0.8
67.05511	38.7
68.05032	1.0
68.99788	1.2
69.03439	6.2
69.07072	53.2
70.06605	0.9
70.07436	0.9
70.49251	2.5
70.94272	5.0
70.95855	2.4
71.04989	3.8
71.94089	3.0
71.95267	9.2
76.20705	0.8
77.03947	1.0
79.05496	30.9
80.05025	0.9
81.07063	39.5
83.04980	7.5
83.08630	7.0
84.04510	0.9
85.02888	1.3
85.06540	2.0
87.04467	1.9
88.95282	1.2
91.05486	7.0
93.03403	3.4
93.07047	45.8
94.07402	0.9
95.04957	3.4
95.08059	1.4
95.08619	18.6
95.09222	0.6
96.08118	2.4
97.02888	2.1
97.05914	1.4
97.06537	23.4
105.04533	0.8
105.07029	1.7
107.04936	2.5
107.08601	53.1
109.06547	1.6
109.10168	35.9
110.03706	1.7
110.10477	1.3
111.04484	9.1
111.08089	9.0
111.11719	1.0
111.96875	2.7
112.96705	1.4
118.06550	1.1
125.06011	6.3
125.09625	1.5
125.97699	0.7
126.06287	0.9
126.09130	1.8
129.97899	1.8
135.04436	2.1
135.08073	1.6
135.11700	100.0
136.03955	1.4
136.07565	3.5
136.12021	2.4
138.03111	2.1
138.05098	1.3
149.01208	1.0
153.00597	1.1
153.01843	22.1
153.05510	6.1
153.07500	4.2
153.09163	1.9
153.12755	80.7
154.05013	2.3
154.08650	1.4
154.12267	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03941	4.7
55.05516	17.6
57.07073	1.5
59.05005	9.9
65.03943	3.0
67.05505	6.3
69.03421	1.6
69.07076	10.5
70.94259	1.6
70.98202	2.6
70.98547	2.1
71.05000	33.2
73.06564	20.7
78.31006	1.1
79.05064	2.0
79.05501	29.0
81.07063	100.0
81.62903	1.4
83.04962	1.4
83.08661	1.6
91.05477	9.3
93.03411	2.3
93.07052	38.4
95.04997	6.0
95.08612	6.4
97.06548	8.3
105.07074	2.8
107.04935	1.5
107.08605	38.7
109.06537	2.9
109.10167	9.0
110.03654	4.2
111.04438	4.5
111.08041	6.0
119.08662	2.1
125.05980	5.6
135.11716	20.0
136.07538	1.3
137.07849	1.2
153.01837	1.9
153.05440	3.6
153.09081	1.6
153.12752	9.7
168.81613	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
53.09458	0.2
55.01861	1.1
65.03932	0.7
67.01869	9.3
68.04993	0.3
68.99796	5.9
69.03431	7.5
69.62865	0.5
69.63277	1.3
71.95258	0.8
79.01855	0.9
79.05487	0.5
81.03413	1.0
83.01343	1.9
85.02885	0.5
87.04472	0.4
92.99734	0.4
93.03407	0.4
95.40120	0.3
96.08177	0.3
97.02896	3.9
97.06519	0.5
107.08540	0.3
111.00800	1.0
111.04446	1.0
111.08119	0.3
113.23378	0.3
125.02338	0.6
125.06039	0.3
127.03919	0.3
136.07607	0.4
153.01837	100.0
153.12781	0.3
154.02174	1.7
154.08684	0.4
171.02879	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0548
Annotation	Isovanillin
Peak:m/z	Relative Intensity
51.02391	0.2
53.00311	0.2
53.03950	0.7
53.16475	0.2
54.04729	0.3
55.01871	0.6
55.05511	0.8
56.96576	1.1
57.03434	0.4
63.02373	0.2
64.03155	0.3
65.03951	4.9
67.05177	0.2
67.05511	3.0
68.02650	0.3
68.05021	0.4
68.99783	1.2
69.03077	0.3
69.03437	4.7
69.07082	1.2
70.94263	1.8
70.95860	0.5
71.05000	0.4
71.55634	0.2
71.94109	0.3
71.95267	0.9
77.03937	0.5
79.01908	0.2
79.05500	6.7
80.05012	0.4
81.03437	1.3
81.07057	1.8
82.04208	8.3
83.04995	1.6
83.08623	0.2
85.02915	7.8
87.04484	0.6
88.95302	0.7
88.96900	0.2
89.30310	0.2
91.05474	0.9
91.70116	0.2
92.02623	0.7
93.03410	4.2
93.07053	2.5
94.06519	0.2
95.04982	2.5
95.08618	0.7
96.02139	0.2
96.04488	0.2
96.08140	0.3
97.02881	0.5
97.06542	8.4
105.03405	0.3
105.04515	0.3
105.07053	0.4
107.04963	2.9
107.08605	2.1
109.02873	0.6
109.06557	1.0
109.10154	0.9
110.03671	16.3
111.04475	3.1
111.08080	1.0
111.96872	1.1
112.96678	0.2
120.02136	0.8
121.02915	0.9
123.04477	0.5
125.06004	21.1
125.09654	0.4
126.06344	0.3
126.09176	0.3
129.97916	0.6
133.04056	0.2
135.04439	0.6
135.08069	0.7
135.11726	0.6
136.07628	1.3
137.05981	0.5
138.03133	79.9
139.03444	1.3
153.05479	100.0
153.12680	1.2
154.05893	1.8
154.08603	0.5
154.12265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0911
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
50.70983	1.1
50.93126	1.1
50.99313	1.1
53.03944	4.6
55.01879	5.2
55.05515	15.0
56.96560	2.9
57.03430	2.1
57.07085	1.4
59.05005	1.0
65.03946	23.5
67.05509	11.0
68.05032	3.4
68.96341	1.7
68.99789	1.5
69.03437	14.7
69.04585	1.5
69.07074	28.4
69.38432	4.5
69.38858	3.8
69.51662	1.1
70.06594	1.8
70.94259	9.2
70.95866	3.2
71.05004	5.8
71.95275	1.3
73.06548	2.0
77.20349	0.9
79.05059	2.1
79.05495	25.1
79.06185	1.0
80.05049	2.6
81.03417	4.0
81.07061	21.9
82.07388	1.0
83.04993	13.9
83.08623	4.3
84.08112	1.1
85.02918	2.1
86.06071	1.8
87.04479	5.0
88.95310	3.6
90.85033	1.0
91.05481	17.3
93.03412	12.5
93.07048	41.5
94.04190	1.9
94.06581	1.7
95.04977	100.0
95.08626	8.6
96.05293	1.7
96.08128	2.9
97.02889	2.0
97.06542	10.8
101.13423	1.2
105.04546	1.9
105.07037	3.0
107.04974	10.6
107.08607	26.0
108.08120	2.9
109.06528	80.7
109.10177	7.0
110.03675	2.7
110.06809	1.4
111.04447	29.9
111.05593	2.5
111.08089	65.4
111.11728	3.8
111.96882	5.5
112.08360	1.2
115.05479	1.0
118.06561	1.7
121.02876	3.8
121.06496	1.5
125.02386	2.2
125.05996	13.4
125.09618	6.7
125.56664	1.1
126.09206	1.7
126.28430	1.0
129.97884	2.1
130.96376	1.1
135.04417	4.3
135.08060	12.8
135.11707	4.7
136.03937	1.4
136.07599	11.2
138.03178	2.4
148.97311	2.1
153.01880	5.3
153.05504	11.8
153.07416	2.2
153.09119	21.5
153.10249	3.7
153.12732	9.8
154.05003	4.2
154.08655	1.8
154.12263	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	153.018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93298	0.2
55.01870	1.3
57.60772	0.3
62.49021	0.2
65.03922	0.5
67.01872	8.5
67.05508	0.3
68.99442	0.4
68.99793	6.5
69.03436	7.7
69.03815	0.4
69.07072	0.3
69.79750	1.5
71.95258	1.4
79.01855	1.1
79.05474	0.3
81.03420	0.7
83.01347	2.1
85.02877	0.3
87.04469	0.4
93.03400	0.6
93.07021	0.3
95.05006	0.3
97.02898	3.9
97.06553	0.4
99.01701	0.2
107.08600	0.4
109.06504	0.2
111.00817	1.3
111.04432	0.6
125.02351	1.1
125.05992	0.5
136.07585	0.7
144.96967	0.3
153.01839	100.0
154.02168	1.6
154.05031	0.3
157.22450	0.3
171.02879	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01862	2.8
55.05493	3.5
65.03938	2.9
67.01536	1.4
67.01871	18.1
67.05497	2.1
68.99795	12.2
69.03425	8.4
69.07055	2.9
69.30380	8.3
70.06597	1.1
70.94269	0.9
71.95266	5.1
71.98270	0.9
72.15439	0.9
79.01862	1.5
79.05494	7.5
81.03411	2.0
81.07045	3.9
83.04986	2.3
83.05450	0.9
83.08614	2.3
85.02959	1.1
91.05475	2.3
91.72974	0.9
93.03422	2.4
93.07040	6.4
95.04947	2.0
96.08105	1.1
97.02888	4.4
97.06522	1.9
99.77435	1.0
107.04973	2.0
107.08621	5.8
109.06484	1.4
109.10154	1.4
111.00801	1.6
111.04467	4.5
111.08083	11.3
125.02371	2.8
125.06007	2.7
125.09626	2.6
134.40930	0.8
135.04443	0.9
135.08083	3.6
135.11688	1.1
136.07599	1.1
153.01837	100.0
153.05473	3.0
153.09117	2.5
153.12808	1.1
154.02184	1.8
154.04994	2.5
154.08661	1.2
154.12286	2.4
171.02948	7.0
172.87315	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08635	0.3
53.03945	0.9
55.01876	2.8
55.05507	0.9
56.96564	2.3
58.23008	0.5
60.50615	0.4
64.29237	0.3
65.03943	3.2
67.01531	0.6
67.01870	9.7
67.05495	1.5
68.05030	0.5
68.99791	6.5
69.03434	9.4
69.07057	1.3
70.94267	2.8
70.95860	1.2
71.04993	0.5
71.55215	0.6
71.94093	1.7
71.95268	5.9
75.71234	0.4
78.99522	0.3
79.01859	1.1
79.05511	2.3
80.05037	0.8
81.03411	1.6
81.07060	1.5
83.01347	2.2
83.04990	1.8
83.08628	0.4
85.02887	0.8
87.04463	1.0
88.95286	1.0
89.95147	0.4
91.05479	1.0
93.03420	1.9
93.07025	2.5
95.04969	1.7
95.08608	1.0
96.08146	0.9
97.02892	5.0
97.06541	2.8
99.04438	0.5
107.04951	1.7
107.08605	2.7
108.08131	0.8
108.38721	0.4
109.06523	0.7
109.10142	0.9
110.03645	1.0
111.00797	1.2
111.04445	5.2
111.05122	0.6
111.08086	1.3
111.96880	1.7
112.40195	0.4
112.96719	0.6
118.06594	0.6
119.01794	0.7
123.79454	0.4
125.02403	1.8
125.05989	3.4
125.09615	0.4
126.09163	0.6
127.03971	0.5
129.97922	1.2
131.00229	0.5
135.04405	1.1
135.08052	0.9
135.11719	1.2
136.07568	2.7
138.03108	0.9
153.01839	100.0
153.05386	3.4
153.09105	1.9
153.10181	0.4
153.12732	1.9
154.02261	2.6
154.04974	1.6
154.12268	1.5
158.20251	0.4
171.02898	2.3
172.03065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01873	2.7
55.05500	1.9
56.96563	2.6
57.03430	0.6
65.03934	4.5
67.01866	9.7
67.05496	1.9
68.05016	1.7
68.99790	6.4
69.03438	10.2
69.07059	1.7
70.03753	0.6
70.06579	0.7
70.94263	5.0
70.95859	1.8
71.04990	0.7
71.55371	0.7
71.94103	3.1
71.95271	9.7
74.09769	0.6
79.01853	1.7
79.05517	2.9
80.05017	2.0
81.03423	0.8
81.07059	2.5
83.01346	2.1
83.04961	3.3
87.04476	2.5
88.95313	1.7
89.21261	0.6
91.05469	1.7
91.45845	0.6
93.03409	3.1
93.07046	2.5
94.06562	0.6
95.04962	2.1
95.08627	1.6
96.08118	1.7
97.02893	4.4
97.04841	1.0
97.06528	4.0
107.04986	3.2
107.08595	4.3
109.06529	1.5
109.10138	1.7
110.03633	0.7
111.00821	1.8
111.04451	9.8
111.08089	2.6
111.96899	2.7
118.06549	0.7
125.02320	1.5
125.06017	4.7
125.09639	1.2
129.97881	2.9
135.04434	1.2
135.05452	0.9
135.08064	1.4
135.11691	1.9
136.07568	5.6
138.03154	1.0
153.01840	100.0
153.05406	4.6
153.09047	3.3
153.12695	3.3
154.02191	2.0
154.05003	2.5
154.08600	1.6
154.12283	2.5
171.02933	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	152.1072
Annotation	Mearsine
Peak:m/z	Relative Intensity
53.03957	1.0
55.01882	0.8
55.05534	1.8
56.96571	13.1
57.03454	0.9
58.02961	0.5
59.05032	0.4
60.38820	0.4
61.02954	0.6
63.07001	0.4
65.03941	3.2
66.65308	0.4
67.05510	3.2
68.05045	1.5
68.05889	0.5
69.03432	3.1
69.07085	3.5
69.07395	0.4
69.43462	1.9
69.43896	1.4
69.51295	0.4
70.06596	2.4
70.95879	0.6
70.98130	0.6
71.04993	0.5
71.95278	1.0
73.02953	0.8
79.05496	5.0
80.05037	1.9
81.03436	1.2
81.05814	0.9
81.07079	1.0
82.06581	2.0
83.05015	1.9
84.04529	1.3
84.08158	1.1
84.96052	0.5
85.02918	1.5
91.05486	0.8
92.05020	5.2
93.03427	1.5
93.05820	1.4
93.07077	0.8
94.06584	2.4
95.04989	1.1
95.07387	0.7
95.08625	2.0
96.04518	4.8
96.05157	0.6
96.08140	4.7
97.00539	0.8
97.02901	1.5
97.06551	0.7
98.01254	0.5
98.97594	21.1
101.00835	1.2
106.06561	3.8
107.04961	2.9
107.08607	0.9
107.52328	0.5
108.04495	1.3
108.08149	2.8
109.05220	1.0
109.06522	0.7
109.08913	1.6
110.01295	1.0
110.03601	1.5
110.06058	9.5
110.09711	0.7
110.97579	5.4
111.04445	2.8
111.08080	0.5
115.00696	1.0
116.98637	7.4
119.01841	1.9
122.06026	3.1
123.06818	1.2
124.04021	0.8
124.07606	68.7
124.11230	1.9
125.04718	0.9
125.06004	1.8
125.07944	1.2
128.02310	2.1
128.04541	0.5
128.97815	0.8
128.98642	7.4
134.06030	13.6
134.09666	2.9
134.99663	1.4
135.03027	3.0
135.04335	0.6
136.07587	7.9
137.08391	8.7
138.05513	0.6
140.00143	0.5
143.00156	0.4
143.01888	0.9
146.99660	2.2
150.09169	2.4
152.01614	1.5
152.05714	12.2
152.07066	100.0
152.10710	73.1
152.11647	1.4
153.04086	2.7
153.05466	1.5
153.07423	2.3
153.11060	1.9
158.99622	3.3
159.03247	0.6
161.02914	1.2
161.04536	0.6
170.99564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0707
Annotation	Paracetamol
Peak:m/z	Relative Intensity
51.40019	0.2
55.01865	0.3
56.96558	0.8
57.03433	0.5
65.03924	0.9
65.66467	0.2
67.05520	0.4
69.03428	0.7
73.02927	0.3
79.05491	0.9
81.03408	0.7
81.05758	0.3
85.02905	0.5
92.04485	0.5
92.05015	5.7
93.05793	1.4
94.06570	0.7
94.90939	0.2
96.04498	0.4
96.08167	0.2
97.02875	0.7
98.97562	0.4
99.04477	0.2
100.02449	0.3
100.58808	0.2
101.00884	0.5
102.02325	0.3
103.00581	0.2
103.02434	0.2
106.06542	1.1
108.08091	0.4
109.02879	0.4
110.06050	7.4
110.97585	1.0
115.02425	0.5
117.02153	0.2
117.04006	0.8
119.01913	0.7
120.04469	0.2
122.06049	2.5
123.06852	0.5
124.07598	1.1
125.04707	0.9
128.98589	1.1
129.03993	0.5
131.01877	0.2
133.03522	0.4
134.06021	4.4
134.08087	0.2
135.03023	0.7
135.05074	1.2
135.06107	0.2
136.05086	0.2
138.05492	0.7
140.04919	0.5
143.01901	0.3
146.99658	0.6
147.01401	0.5
147.03236	0.3
147.05057	0.4
152.07068	100.0
153.04080	0.9
153.07428	1.8
156.41911	0.2
161.02968	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0709
Annotation	2-Descarboxy-cyclo-dopa
Peak:m/z	Relative Intensity
53.03951	0.5
55.02980	0.5
55.05496	0.3
56.96292	0.4
56.96569	6.4
57.03439	2.3
65.03945	1.2
67.05512	0.7
68.05025	0.3
69.03430	1.2
70.08770	1.1
70.99847	0.8
71.05012	0.4
73.01421	0.6
73.02908	0.7
79.05500	1.2
81.03423	0.8
82.01440	0.7
82.04096	0.5
82.99837	0.4
84.96036	0.5
85.02894	1.2
88.02645	0.4
89.00817	0.6
91.02458	0.9
92.05013	6.9
93.05785	1.4
94.06565	0.5
95.04950	0.5
96.08128	0.6
97.01402	0.8
97.02898	1.3
98.21451	0.4
98.97580	1.4
100.02474	1.0
101.00911	2.1
101.01541	0.5
103.02436	1.4
103.18072	0.3
104.41413	0.3
106.06585	1.7
107.03598	0.6
107.04982	0.4
108.02406	0.3
108.08118	0.4
109.02866	0.8
109.05135	2.1
110.03535	14.4
110.06055	6.3
110.97578	6.0
114.04069	0.4
115.02438	2.7
116.89912	0.4
117.04002	1.3
119.01909	2.7
122.05286	0.4
122.06013	2.2
122.25770	0.3
123.06827	0.9
124.07610	1.7
125.04712	0.9
128.04564	3.7
128.98622	5.6
129.03958	2.2
133.03510	2.2
134.04614	0.8
134.06026	8.9
135.03036	27.1
135.05058	1.3
136.01428	0.7
136.03264	0.5
137.02982	0.6
138.05440	0.6
142.03528	0.3
143.01869	0.8
145.03435	0.8
146.99704	2.0
147.01399	1.0
147.05016	2.7
151.03401	0.4
152.05688	91.0
152.07065	100.0
153.04089	24.6
153.05144	0.3
153.06036	1.2
153.07408	1.5
154.02489	0.6
159.05049	0.5
165.00687	0.4
170.99768	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0569
Annotation	Guanine
Peak:m/z	Relative Intensity
53.03941	0.6
55.01865	0.4
55.02982	0.5
56.96341	0.5
56.96575	4.7
57.03421	1.2
61.02902	0.3
65.03936	0.8
67.05495	0.4
69.03413	1.3
70.06593	0.4
70.27071	0.3
70.71553	0.4
70.71902	0.9
70.99854	0.4
72.21443	0.3
73.01420	0.5
73.02914	0.4
78.42823	0.3
79.05474	1.2
81.03379	0.5
82.04086	0.4
84.96037	0.4
85.01434	0.7
85.02894	0.8
88.02692	0.5
89.00837	0.3
91.02470	0.4
92.05022	3.8
93.05783	0.6
94.06576	0.4
96.04493	0.6
96.08076	0.5
97.02895	1.4
98.97576	1.3
100.02483	0.9
101.00857	1.0
103.02417	1.2
106.06538	1.3
106.31039	0.3
107.03614	0.4
108.08141	0.3
109.05152	1.9
110.03539	13.2
110.06051	3.7
110.97576	4.7
111.02981	0.3
111.04448	0.4
115.02415	0.9
116.98641	0.3
117.03981	1.0
119.01904	1.0
122.06060	1.5
123.06804	0.5
124.03942	0.6
124.07589	1.2
125.04672	0.6
128.04591	3.3
128.98621	4.3
129.03984	1.0
131.01848	0.4
133.03453	0.9
134.04648	1.4
134.06018	7.1
135.03033	28.4
135.05060	1.4
136.01405	0.6
136.05205	0.3
140.05023	0.7
143.01880	0.4
146.99632	1.9
147.01396	0.7
147.05006	2.6
152.05676	100.0
152.07050	63.8
152.10577	0.9
153.04085	26.1
153.06050	1.0
153.07440	0.8
154.02478	0.6
154.04482	0.4
161.02959	0.4
161.06566	0.4
165.06203	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.112
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03945	1.3
55.01871	1.9
55.05514	2.7
56.96573	3.1
57.03429	1.2
57.07061	1.5
59.04995	1.6
65.03944	2.4
67.05174	0.8
67.05508	10.5
68.95305	1.1
68.99790	0.7
69.03438	2.6
69.07085	2.6
69.63061	2.0
69.63477	0.7
71.04967	0.6
75.79924	0.4
77.03897	0.5
79.05503	7.4
81.03424	2.1
81.07066	18.7
83.04989	1.1
85.02915	0.8
85.24995	0.5
91.05487	9.2
93.07056	7.0
94.04191	0.4
95.04987	5.2
95.08057	0.7
95.08616	8.8
96.04478	0.7
97.06522	1.7
98.20731	0.5
98.97583	2.0
101.00799	0.7
103.05483	0.6
105.03381	0.8
105.04562	0.7
105.07039	17.1
106.07375	0.6
107.04967	1.1
107.08607	8.4
107.47657	0.9
108.05753	0.6
109.02921	0.7
109.06535	16.1
109.09469	0.9
109.10170	12.6
110.01317	0.5
110.97590	0.4
116.98587	0.6
119.01823	0.8
119.04978	1.0
119.06090	0.6
121.06522	1.0
121.10162	2.7
122.07354	0.5
123.04434	5.7
123.08090	8.1
123.09964	0.5
123.11718	4.9
128.02330	1.0
128.98656	0.4
131.08611	1.0
133.02852	0.7
133.06520	1.1
133.10149	7.0
134.06023	0.5
136.08842	2.4
141.05431	0.6
151.02843	1.5
151.03928	5.6
151.05034	0.7
151.07684	5.1
151.11198	100.0
152.07164	0.9
152.11568	2.0
169.03442	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1482
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
51.87131	0.4
53.03954	1.1
55.01877	1.8
55.05518	6.6
56.96572	4.9
57.03446	0.9
57.07083	1.6
65.03952	2.9
66.04303	0.6
67.05512	87.2
68.05845	1.1
68.95289	0.5
69.03442	1.2
69.07084	5.2
69.84135	1.2
69.84545	0.9
73.02929	1.2
79.05502	6.8
80.05044	0.7
81.03438	1.4
81.07066	45.2
82.06609	0.5
82.07396	0.6
83.00821	1.1
83.01355	4.6
83.05014	0.7
83.08636	1.2
84.00394	0.4
85.02914	0.9
89.00797	0.8
91.05480	2.8
92.61993	0.5
93.03390	0.4
93.07057	5.7
95.01371	0.7
95.05002	2.7
95.08618	100.0
96.01553	0.7
96.04504	2.0
96.08942	1.5
97.02893	0.8
97.34422	0.5
98.01312	1.0
98.97586	3.0
101.00753	0.8
105.07040	3.6
107.01830	0.6
107.08581	2.4
108.02091	0.6
109.06517	2.1
109.10170	50.3
110.01292	2.0
110.06062	0.5
110.97564	0.7
116.48176	0.7
116.98635	1.2
119.01801	2.0
123.03439	0.8
123.04436	2.0
123.08091	2.5
123.10031	0.7
123.11736	1.6
128.02304	1.3
128.98642	1.0
130.52617	0.7
133.06511	1.1
133.10117	1.4
134.05995	0.8
140.00179	0.7
146.99648	0.8
151.02849	1.8
151.03932	2.5
151.04988	0.7
151.07593	4.8
151.08643	1.0
151.09871	0.6
151.11182	3.5
151.13704	0.6
151.14850	10.1
152.01669	0.7
152.07047	1.7
152.10759	0.9
158.99597	0.5
166.06956	0.4
169.04010	0.8
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	Lyratal
Peak:m/z	Relative Intensity
51.02375	1.1
53.03946	5.7
55.01860	4.5
55.05508	9.8
56.96579	4.9
57.03423	3.4
57.07064	2.4
59.04990	1.0
65.03931	5.3
67.05505	47.6
68.99779	1.8
69.03429	8.9
69.07056	5.8
71.04986	4.1
71.55472	1.6
77.03909	0.9
79.05494	38.1
80.04998	1.1
81.03405	3.9
81.07056	88.4
83.04988	7.6
85.06542	1.5
89.08949	1.2
91.05483	56.5
93.07042	58.2
94.07378	2.3
95.01337	1.5
95.04967	20.0
95.08601	33.2
96.04496	1.9
96.08114	1.7
96.34485	1.0
97.06533	2.6
98.97587	2.7
103.05445	1.6
105.04538	1.4
105.07034	76.9
106.06561	1.4
106.07343	1.6
107.04975	1.8
107.08598	56.6
108.02103	1.2
108.05743	2.7
109.06517	33.5
109.10151	34.7
110.10524	1.1
119.01736	1.2
119.04944	2.9
119.05980	1.1
121.10133	3.1
123.03623	1.6
123.04446	8.8
123.08089	13.8
123.11698	20.4
124.07561	1.2
127.07542	1.3
131.08580	4.0
133.02835	1.3
133.06505	2.8
133.10133	57.3
134.06013	1.7
134.10431	1.2
136.05214	1.4
136.08838	2.4
151.02826	2.1
151.03902	14.6
151.05025	3.2
151.07564	14.7
151.11182	100.0
152.07069	4.6
152.11510	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03950	3.3
55.01880	3.4
55.05514	8.3
56.96571	4.1
57.03440	2.2
57.07067	2.1
59.04995	1.4
61.68494	0.6
65.03935	2.9
67.05508	21.1
69.03433	17.6
69.07072	4.5
71.04990	2.9
71.09834	1.4
73.02901	0.6
77.03922	0.8
78.04691	0.8
79.05504	14.1
81.03433	3.5
81.07062	36.9
83.00806	0.9
83.03160	0.7
83.04990	1.6
83.08640	1.1
85.02913	0.8
85.06539	0.8
89.00775	1.0
91.04974	1.2
91.05493	17.1
93.07053	18.0
94.04214	0.9
95.04975	11.7
95.08620	14.8
96.01558	0.8
96.04485	1.3
96.05765	1.1
96.08141	1.8
97.06518	3.0
98.97569	3.5
103.05491	1.5
105.07035	24.3
107.04956	2.1
107.08605	13.4
108.02103	1.2
108.05738	1.9
109.02908	1.0
109.06528	24.5
109.10156	17.9
110.01303	1.9
110.97566	1.3
117.07053	0.9
119.01793	1.7
119.04959	2.0
119.06019	1.1
121.06496	1.6
121.10149	2.9
122.51454	0.8
123.03604	0.8
123.04433	5.0
123.08068	13.2
123.11724	8.3
124.07604	8.9
128.02316	2.1
128.98553	0.9
131.08530	1.5
133.06497	2.9
133.10130	11.7
136.05220	0.8
136.08827	3.0
151.02855	1.1
151.03911	8.8
151.05049	1.6
151.07571	13.9
151.11191	100.0
152.01540	0.8
152.07053	5.1
152.11514	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	151.1119
Annotation	p-Cymen-9-ol
Peak:m/z	Relative Intensity
53.03942	2.6
53.39797	0.9
55.01878	6.1
55.05518	6.2
56.96567	1.9
57.03443	4.3
57.07075	1.4
62.57329	0.7
65.03947	4.5
67.05511	92.7
68.05823	1.2
69.03431	3.8
69.07068	2.5
71.04977	2.5
71.55733	1.2
73.59336	0.8
79.05498	36.9
81.03405	3.0
81.07064	46.7
83.04994	7.7
85.06559	5.4
85.59327	0.8
91.05489	100.0
92.05817	1.6
93.07058	30.1
95.04967	14.1
95.08619	16.3
96.04494	0.8
97.06536	1.2
98.58827	0.7
98.97573	0.8
103.05489	1.6
105.03395	1.4
105.04497	1.4
105.07043	69.8
106.07354	1.1
107.08606	70.3
108.02100	1.2
108.08904	0.8
109.06524	16.3
109.10166	23.9
112.41542	0.7
119.01802	1.5
119.04926	1.6
119.06099	0.9
123.04443	3.8
123.08083	7.7
123.11734	7.0
131.08586	3.6
133.06525	1.7
133.10143	88.8
134.06061	1.4
134.10487	1.4
136.01532	0.7
139.82086	0.8
149.14336	1.0
151.02887	1.4
151.03937	7.1
151.07637	5.6
151.11198	82.0
152.07091	2.2
152.11543	2.1
154.02599	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
53.83675	1.3
55.01869	4.1
56.96571	100.0
57.03439	17.9
58.13178	1.2
60.95857	1.4
61.02927	13.0
65.03953	1.6
67.05499	5.0
68.00284	7.4
68.02628	2.0
68.45316	1.7
68.95284	10.2
68.96326	4.9
69.03432	13.1
69.72987	1.3
71.04985	3.2
71.12204	2.0
71.95262	2.8
73.02927	22.9
74.00257	3.7
74.97598	3.3
75.01045	3.0
77.00786	3.8
79.05515	1.9
80.00243	3.8
81.01019	3.4
81.03418	5.7
81.07056	3.5
83.00784	8.6
83.04960	1.5
84.01580	1.5
84.96038	5.5
85.02916	17.4
86.51763	1.9
87.01020	4.0
89.00784	16.0
89.46600	2.5
90.01559	10.4
91.02352	1.5
91.05476	3.1
92.01324	2.4
92.51813	1.9
93.07048	2.1
94.51582	2.0
95.00767	6.9
95.04942	1.8
95.08620	1.7
95.37541	1.4
96.01541	12.5
96.04515	2.1
97.00522	4.7
97.02898	8.7
97.96793	3.1
97.99194	9.1
98.01286	16.3
98.47122	2.7
98.97595	68.6
99.04451	3.5
100.02490	1.6
100.51606	1.6
101.00768	17.0
101.52375	3.0
102.01577	2.0
103.52106	1.8
104.01286	8.0
105.02060	3.8
105.07077	3.5
106.51537	2.4
107.00719	2.4
107.01851	8.9
107.03135	1.7
107.08589	2.3
107.47650	6.0
107.52340	1.8
107.99706	2.2
109.02898	4.0
109.06514	2.2
109.10169	2.1
109.52086	5.4
109.98940	1.6
110.01292	37.4
110.51469	1.8
110.89844	1.3
110.97594	27.1
111.02112	3.1
112.51553	2.9
112.99175	3.4
113.01857	1.8
113.96398	1.5
114.53127	2.4
115.53883	2.3
116.00379	1.2
116.01272	4.9
116.04091	1.8
116.48158	5.9
116.98631	19.7
117.00222	1.5
118.52596	1.9
118.98390	1.6
119.01809	58.8
119.51975	2.4
120.02586	5.8
121.52052	5.0
123.04462	2.5
123.08106	2.6
124.54440	1.8
125.01844	2.4
127.03924	3.6
128.00247	1.9
128.02338	41.0
128.52573	2.8
128.98608	19.9
129.03099	6.9
130.52586	8.2
131.00146	1.8
133.96265	3.0
134.99681	3.2
137.02829	5.8
139.53099	6.0
140.00209	6.6
140.98611	4.0
143.00197	2.5
144.98077	3.3
146.99677	11.7
151.02829	2.0
151.03932	4.5
151.07553	2.6
151.08664	3.1
151.11209	2.9
152.00262	1.8
152.07129	2.2
154.90776	1.9
158.01236	1.7
158.99695	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	151.0391
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
51.02375	0.5
52.67406	0.3
53.03938	1.5
55.01873	2.6
55.05500	0.7
56.05030	0.9
56.58854	0.3
56.96572	3.6
57.03433	0.7
65.03937	2.9
67.05511	12.1
68.05008	0.5
68.41386	0.4
68.99784	0.8
69.03429	1.0
69.07066	0.5
70.06595	0.7
71.28835	0.6
77.03934	1.8
79.05485	2.9
80.05007	0.6
81.03429	1.7
81.07060	4.6
83.04987	0.7
84.08109	0.4
85.02908	0.6
90.94846	0.5
91.05486	6.6
93.05771	0.4
93.07066	1.7
95.04975	17.0
95.08618	3.4
96.04483	0.9
96.08117	0.5
98.97591	1.0
101.03657	0.3
105.03408	4.7
105.04510	0.5
105.07030	4.3
106.06558	1.1
106.07303	0.4
107.04918	0.9
107.08614	1.7
108.02115	0.4
108.04494	0.6
109.02878	0.7
109.06548	2.2
109.10140	1.6
110.06037	0.5
110.97587	0.9
112.51512	0.3
114.04009	0.4
116.98608	0.4
119.01837	0.6
119.04945	3.2
119.05737	0.4
119.06033	0.3
123.04437	100.0
123.08009	2.7
123.11694	1.0
124.03942	0.4
124.04776	1.8
124.07585	1.2
125.04723	1.5
128.02267	0.5
128.98700	0.5
132.95871	0.6
133.02853	20.2
133.06497	1.2
133.07501	0.5
133.10129	1.0
134.03218	0.5
134.06009	1.6
137.06020	0.5
146.99612	0.7
147.41135	0.4
150.90332	0.4
150.96907	1.4
151.02892	1.4
151.03920	32.9
151.05925	1.0
151.07562	4.5
151.08662	2.4
151.09659	0.4
151.10019	0.5
151.11153	3.0
152.01611	0.4
152.04350	0.9
152.07065	3.5
152.10638	0.8
169.03477	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0551
Annotation	5-Hydroxyoxindole
Peak:m/z	Relative Intensity
51.01439	0.4
51.02383	0.5
51.50626	0.3
53.03947	4.7
54.03466	0.4
55.01878	0.9
56.05030	1.3
56.96569	2.5
57.03437	0.5
61.01130	0.6
65.03946	5.1
66.04273	1.2
66.64523	0.4
67.05510	28.9
68.05852	0.6
69.03434	0.8
69.07090	0.4
69.44843	1.4
69.45276	1.8
71.04982	0.4
72.93792	1.0
73.02911	0.6
79.05495	4.5
80.05037	2.5
81.03414	2.8
81.07063	0.6
82.01434	0.5
84.04527	0.4
85.02917	0.6
86.03691	0.4
86.09726	0.5
90.90414	0.6
90.94836	0.7
91.05486	0.9
93.05837	2.0
93.06290	0.4
93.07066	0.4
94.04060	0.9
94.06573	72.5
95.04966	2.4
95.06934	1.0
96.04487	2.1
98.20664	0.8
98.97598	0.8
100.02486	0.5
104.56050	3.3
105.03340	0.5
105.04498	0.8
105.07042	0.9
106.06564	19.7
107.08618	0.5
108.04485	4.7
108.05632	0.6
109.02910	0.8
109.05147	3.4
112.07618	0.6
118.06575	0.5
119.01854	0.7
119.07339	0.7
120.44699	0.4
122.03156	2.2
122.06039	40.9
122.09650	1.9
123.04462	2.7
123.06599	1.3
127.07082	2.4
128.02325	0.4
133.05104	9.8
135.05389	0.6
141.02724	0.6
144.30617	0.4
148.03929	0.9
150.02899	5.6
150.05525	100.0
150.07753	81.6
150.09105	5.3
151.03963	0.9
151.05873	1.8
164.83620	0.4
168.03300	0.4
168.05148	0.9
168.06558	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	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47493	1.3
53.03945	2.9
55.01860	1.6
55.05505	6.2
63.58411	1.2
65.03947	56.1
67.00330	1.3
67.02991	9.6
67.05499	3.2
68.05000	2.9
69.07076	12.5
69.22322	3.8
69.22742	9.2
71.76669	1.3
77.03893	1.4
77.81425	1.3
78.81096	1.3
79.05495	17.1
79.63831	1.7
81.07072	22.7
84.92293	1.4
89.20394	1.3
91.05481	14.0
93.03399	7.8
93.07050	54.6
94.07372	1.7
95.04954	3.6
95.08628	2.3
105.04517	2.0
105.07045	6.2
107.04971	1.6
107.06128	3.0
107.08607	33.4
108.06854	6.0
111.04440	8.4
119.08601	1.7
121.01997	3.2
121.02874	56.3
121.03988	21.4
121.10148	15.2
122.07184	2.7
144.04059	1.5
149.02356	100.0
149.08200	3.3
149.09566	1.3
149.11491	1.4
149.13257	17.0
150.02769	2.6
167.03444	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	149.1327
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.45021	1.0
53.03943	3.0
53.63454	1.1
55.01857	1.8
55.05524	7.3
65.03948	60.1
65.51346	1.2
67.02998	18.4
67.05505	2.6
67.27457	1.0
68.05024	3.2
69.07086	9.5
69.28158	9.0
78.16489	1.1
79.05506	14.6
80.05020	1.2
81.07067	20.2
89.51127	1.0
91.05486	15.0
93.03406	12.0
93.07054	60.9
94.07352	1.3
95.04961	4.4
95.08601	3.1
98.03692	1.7
98.21513	2.4
105.04553	1.4
105.07036	7.6
107.06121	1.4
107.08608	30.8
108.04446	1.2
108.05642	1.3
108.06876	7.3
109.06509	1.6
111.04430	8.5
119.08585	1.4
121.02881	61.2
121.03983	18.1
121.06456	1.2
121.10157	14.9
122.07205	1.9
134.59286	1.3
148.08737	1.5
149.02361	100.0
149.07117	1.6
149.08232	5.1
149.09590	3.9
149.13277	17.4
150.02684	2.5
150.05505	1.0
152.82663	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.00284	0.7
53.03942	3.1
55.01875	6.7
55.05499	2.1
56.96555	2.4
65.03945	55.8
67.05508	1.8
69.03429	1.5
69.07066	1.3
70.66785	2.1
79.05499	13.2
80.02628	0.9
81.07060	2.5
89.03939	1.3
91.05486	17.3
93.03414	11.3
93.06470	1.5
93.07047	21.5
95.04961	3.2
98.03674	1.5
98.52553	0.7
103.05463	5.1
105.04536	1.2
105.07037	11.4
107.04960	2.4
107.08603	11.7
108.04485	2.1
109.06525	1.0
111.04464	7.8
116.06236	1.6
117.03395	1.1
119.08582	2.3
121.02873	58.5
121.03980	20.5
121.06494	5.6
121.10159	10.3
122.03237	1.9
123.08099	0.8
129.07010	0.8
131.04926	1.5
131.08588	4.6
149.02353	100.0
149.06003	5.5
149.09637	22.0
149.10524	0.4
149.13255	2.2
150.02670	2.6
150.05511	1.7
167.03470	0.9
169.03471	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0963
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03938	4.7
55.01879	7.5
55.05505	4.2
56.69221	1.3
56.96567	3.5
59.97197	1.3
65.03609	2.6
65.03949	50.4
67.05512	6.3
69.03426	5.2
69.07040	2.1
70.79848	2.7
70.80153	1.9
71.04996	1.8
72.92326	1.4
79.05501	22.0
81.07063	6.9
88.60957	1.5
91.05492	42.4
93.03425	10.8
93.07056	45.4
94.07398	1.6
95.04987	3.9
98.03698	2.0
103.05479	5.5
105.04483	1.6
105.07033	20.1
107.05006	3.4
107.08614	10.3
108.04502	1.9
111.04473	9.8
116.06256	6.5
117.59076	1.4
119.08596	2.6
121.02008	3.2
121.02882	58.0
121.03990	22.4
121.06520	15.9
121.10151	18.8
129.07014	3.8
130.24135	1.3
131.04967	2.1
131.08588	25.2
149.02364	100.0
149.06012	3.7
149.09633	35.9
149.13211	1.4
150.02650	2.1
167.03430	1.6
169.03587	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03937	4.5
55.01877	24.4
55.05499	2.9
56.96563	5.0
65.03947	50.4
67.00335	1.2
67.05505	10.3
68.35138	1.3
69.03430	2.5
71.21554	2.3
71.21872	1.4
74.38499	1.2
77.03941	2.1
79.05499	55.0
80.02660	1.2
81.03437	1.4
81.07060	2.7
91.04958	2.3
91.05486	23.3
92.05782	1.6
93.03412	11.5
93.07049	59.4
94.07371	1.4
94.40279	1.2
95.04963	5.5
98.03685	1.8
103.05453	5.3
105.04523	2.3
105.07039	26.8
107.04961	3.5
107.08581	14.6
108.04462	1.5
111.04440	8.3
119.08566	2.8
121.02876	55.7
121.03978	19.0
121.04826	2.2
121.06490	5.4
121.10136	18.2
122.03185	3.1
129.07059	1.7
131.04985	1.5
131.08575	12.4
136.80356	1.2
149.02351	100.0
149.06009	3.8
149.09631	43.8
150.02690	2.3
150.05508	1.5
150.07776	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	149.0963
Annotation	4-Phenylbutan-2-one
Peak:m/z	Relative Intensity
53.03938	4.3
55.01880	7.9
55.05496	3.4
56.96564	6.1
65.03611	2.4
65.03948	48.4
67.05497	3.5
69.03453	1.4
69.07067	4.4
70.07785	5.6
74.36993	1.1
77.03936	2.2
77.89425	1.2
79.05064	2.1
79.05496	24.9
81.07043	2.8
83.26610	1.1
89.03922	5.8
91.05492	81.1
92.05811	1.4
93.03426	10.1
93.07053	35.3
94.07414	1.4
95.04974	6.7
98.03708	1.5
99.37180	1.2
103.05489	5.8
105.04514	2.0
105.07036	24.0
107.04973	5.8
107.08605	12.4
108.04507	1.2
109.06560	2.3
111.04449	5.5
115.05515	1.4
116.06253	2.9
117.03399	2.0
119.08590	12.2
121.02879	53.9
121.03991	17.7
121.06500	16.7
121.09300	1.9
121.10135	13.8
122.03169	1.5
123.08047	1.3
129.06973	1.3
131.08580	13.3
134.03658	2.5
149.02362	100.0
149.05972	6.1
149.09633	37.0
149.10535	1.1
149.13074	1.2
150.02687	2.1
150.05618	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	147.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.5
53.03942	3.5
55.05516	10.7
59.19482	0.9
64.49044	1.1
64.92817	1.8
65.03944	3.2
67.05514	8.6
68.03165	1.0
69.03429	1.6
69.07058	3.7
69.82151	3.9
79.05502	20.9
81.07063	6.4
86.56571	1.0
91.05490	88.8
93.07060	9.8
95.04970	1.8
103.05474	4.6
105.07043	100.0
106.07315	1.4
107.08646	1.8
117.07027	8.8
118.07835	1.1
119.04977	12.3
119.08593	53.1
119.32677	1.0
120.08922	2.4
130.07706	1.0
132.09378	2.4
145.10114	4.3
147.04437	4.7
147.08090	1.1
147.11697	29.1
153.65831	1.0
156.56229	0.9
161.44894	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00084	1.5
53.00310	18.1
53.03943	2.0
55.01863	4.6
58.02692	1.3
65.03946	100.0
68.99802	1.2
69.52930	8.5
69.53310	1.0
70.58640	1.2
75.02337	4.1
83.01357	2.9
93.03414	39.2
95.01344	5.0
103.01823	7.9
104.32909	1.2
109.11414	1.4
111.04449	4.2
118.84776	1.2
121.02885	28.2
121.03912	2.1
131.01300	51.7
131.02275	2.9
149.02356	68.1
150.02730	1.9
167.03415	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79136	0.8
53.00085	1.1
53.00312	15.5
53.03954	1.6
55.01878	4.9
65.03946	100.0
66.04263	1.3
69.61451	5.6
74.32244	0.9
75.02362	3.8
83.01360	1.8
93.02824	2.1
93.03410	40.6
95.01337	6.2
103.01837	9.4
111.04439	3.2
121.02005	1.4
121.02881	28.9
121.04008	3.2
131.01297	52.4
146.27702	1.0
149.02354	67.7
150.02647	1.2
167.03412	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	147.117
Annotation	Viridiene
Peak:m/z	Relative Intensity
52.19014	0.7
53.03943	2.1
55.05520	13.3
56.96545	1.4
61.85275	1.0
64.92828	1.1
65.03944	7.6
67.05497	3.7
69.03436	1.0
69.07070	2.5
69.71782	3.2
69.72210	2.0
76.59963	0.8
79.05492	7.7
81.07063	3.0
83.04964	1.2
91.05489	82.0
92.05801	2.6
93.07072	4.9
95.04978	1.1
103.05441	4.6
104.06303	0.9
105.07040	100.0
106.07355	1.4
107.08601	3.8
115.05450	1.7
116.06223	1.1
117.07036	11.0
119.04958	46.1
119.08591	78.8
120.08907	1.9
123.96408	2.1
129.07010	1.9
129.81050	0.9
131.08539	2.2
132.09360	3.0
145.10144	5.4
147.04431	17.3
147.05518	1.9
147.08044	8.1
147.11697	52.8
148.12013	1.2
155.99997	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.50118	0.5
65.03943	11.1
70.98731	1.4
84.04523	0.7
84.08140	1.1
91.05486	100.0
92.05824	2.3
98.97583	0.7
112.17509	0.4
119.04949	97.8
120.05299	2.2
127.12282	0.5
147.04419	31.9
148.04781	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74319	0.4
56.96568	0.5
57.48178	0.5
60.86570	0.4
64.57408	0.4
65.03946	11.7
67.15794	0.4
70.15971	0.4
71.40092	0.6
84.04516	3.7
84.08154	4.5
88.03986	0.6
91.05488	100.0
92.05830	1.8
92.52546	0.4
119.04952	87.6
120.05293	2.3
126.18378	0.4
130.05023	0.8
147.04422	31.1
148.04727	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.62499	0.5
65.03945	11.9
69.18163	1.0
69.18565	3.5
72.02753	0.4
91.05486	100.0
92.05821	1.9
119.04948	93.7
120.05302	1.9
123.96457	0.5
125.57674	0.6
130.06517	1.1
134.77573	0.6
147.04420	34.8
147.09184	1.0
148.04805	0.7
163.21677	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.117
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03941	1.5
55.05520	8.9
65.03951	3.2
67.05513	4.0
69.07053	1.6
70.79275	2.0
79.05506	7.6
81.07058	2.7
88.03998	2.9
91.05489	47.1
92.05037	0.7
92.05797	1.3
93.07055	3.9
95.04959	0.8
102.05550	1.4
103.05483	3.1
105.07041	100.0
106.07380	2.2
107.08620	1.8
117.07011	6.3
119.04958	19.0
119.08593	57.9
119.71773	0.8
120.08926	1.1
132.09378	1.7
141.81294	1.1
145.10101	3.7
147.04446	8.4
147.05530	1.4
147.08066	2.0
147.11700	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	147.1169
Annotation	Viridiene
Peak:m/z	Relative Intensity
51.02387	1.5
53.03942	3.5
55.05516	10.7
59.19482	0.9
64.49044	1.1
64.92817	1.8
65.03944	3.2
67.05514	8.6
68.03165	1.0
69.03429	1.6
69.07058	3.7
69.82151	3.9
79.05502	20.9
81.07063	6.4
86.56571	1.0
91.05490	88.8
93.07060	9.8
95.04970	1.8
103.05474	4.6
105.07043	100.0
106.07315	1.4
107.08646	1.8
117.07027	8.8
118.07835	1.1
119.04977	12.3
119.08593	53.1
119.32677	1.0
120.08922	2.4
130.07706	1.0
132.09378	2.4
145.10114	4.3
147.04437	4.7
147.08090	1.1
147.11697	29.1
153.65831	1.0
156.56229	0.9
161.44894	1.0
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
52.96132	1.0
53.03936	2.0
55.05515	11.3
58.09436	0.9
60.60758	1.0
64.92797	1.7
65.03941	3.3
67.05511	5.2
69.07063	4.4
69.40432	1.0
79.05517	7.2
79.60098	1.1
81.07063	4.5
91.05487	61.0
93.07058	4.9
94.39481	0.9
95.04961	1.1
98.21557	1.8
101.08543	0.9
103.05476	3.8
103.18138	1.1
104.06247	1.2
105.07041	100.0
105.22829	1.1
106.07359	1.1
107.08596	2.2
116.06229	1.0
117.07032	8.7
119.04957	13.4
119.08591	94.0
120.08935	2.5
123.96446	4.5
131.08524	1.5
132.09337	2.5
145.10161	6.4
147.04445	6.3
147.11696	48.9
148.12021	2.3
162.01154	1.1
164.15585	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.8
55.05513	7.8
56.96561	1.0
57.07081	6.2
57.07324	1.4
59.04992	2.9
60.95843	1.7
65.03924	0.9
67.05495	3.6
69.03429	14.5
69.07055	3.0
69.94345	1.3
69.94761	2.7
70.99853	1.2
71.01359	1.5
71.04999	30.6
72.04523	1.0
73.06541	3.4
79.05483	2.2
81.07069	1.9
83.01343	1.1
83.04982	4.8
83.08620	4.2
85.02863	0.9
85.06550	14.9
89.00925	1.0
91.05484	1.2
97.02896	16.4
97.06559	1.2
97.10166	5.0
98.06065	2.3
98.09686	1.9
98.20812	1.1
100.45591	0.9
101.00912	5.2
101.95042	4.6
102.96911	1.7
105.07011	0.9
107.08598	10.7
115.05486	2.0
119.01923	12.9
119.78697	0.7
119.96080	1.6
120.97922	1.5
121.00695	0.8
125.02350	14.6
125.07157	0.9
125.09622	6.7
128.01060	1.3
128.06233	13.9
130.71208	0.7
137.02975	1.8
139.01840	2.9
143.03403	100.0
143.08566	3.6
143.10622	1.1
144.03745	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	144.0327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54119	2.3
53.03949	2.4
55.01873	5.8
55.05513	3.1
56.92381	2.0
56.96564	22.4
57.03433	9.3
57.47335	2.1
60.95853	22.0
62.92986	2.5
64.59224	2.2
68.69884	2.3
69.03429	9.3
69.96149	6.7
69.96546	3.2
70.06598	6.9
70.98125	4.4
71.04987	7.6
75.94551	3.1
80.05021	2.4
81.03421	3.8
82.01458	2.2
83.99927	3.5
84.04491	3.4
84.08150	29.2
85.02898	12.9
89.03947	2.7
97.02887	4.7
98.06051	9.1
98.09696	9.9
98.97587	9.2
99.04459	15.8
101.00873	16.8
102.00957	35.9
102.96880	84.5
103.00645	19.7
113.02969	8.3
116.98666	3.4
118.01034	3.0
119.01926	31.7
120.02013	100.0
120.97920	38.3
121.00835	4.2
121.01668	42.7
121.02463	5.0
124.95521	3.3
126.03739	5.2
127.03952	3.9
137.02959	2.9
138.03072	19.9
138.98947	13.9
139.01768	4.3
139.02705	8.3
144.03110	3.8
144.03712	5.1
144.04803	24.1
144.06584	3.7
144.10211	7.4
145.03476	4.9
161.02980	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	146.0601
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
58.46372	0.7
65.03951	1.5
71.05838	0.7
71.06145	1.3
72.08162	1.0
91.05489	31.6
106.69217	0.7
117.05722	4.5
118.06552	100.0
119.04947	5.0
119.06876	2.4
128.04977	9.5
146.06023	26.1
147.04381	2.1
159.40906	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0443
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
52.72109	0.6
56.96561	0.5
65.03948	12.2
70.63438	1.1
84.04507	2.9
84.08146	1.2
89.36401	0.5
91.05490	100.0
92.05827	1.9
98.20810	0.6
118.04136	0.6
119.04955	94.6
120.05319	2.7
126.62653	0.5
130.05058	1.3
147.04422	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	147.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
56.96571	2.7
62.50220	0.6
62.53010	0.5
63.80104	0.5
65.03953	12.9
69.03432	0.8
70.07254	1.2
70.07658	0.7
84.04507	4.1
84.08155	2.7
86.09705	1.0
90.40205	0.5
91.05492	100.0
91.14324	0.5
92.05826	1.9
96.01550	0.5
98.97591	1.7
116.98644	0.5
119.04956	97.8
120.05299	2.7
130.05037	0.9
130.06519	0.7
138.97992	0.5
145.07733	0.5
147.04428	38.3
147.09172	1.1
148.04790	1.2
169.18364	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
56.02695	0.3
56.51415	0.3
56.96572	4.7
57.03450	0.7
58.99586	0.3
58.99874	1.3
59.05005	0.3
60.95135	2.2
60.95853	0.9
65.55903	0.3
65.76226	0.3
69.03429	3.7
69.65623	2.3
70.06599	0.9
70.98124	0.5
70.99857	3.2
71.01365	0.4
77.00930	1.1
81.03429	0.5
81.04550	1.5
82.99844	3.6
84.08156	0.6
84.96036	0.3
85.02898	0.8
87.04431	0.4
89.00896	1.6
95.06117	0.8
97.02892	3.7
98.06081	0.8
98.97579	1.2
101.00885	43.1
101.95047	1.5
101.97202	0.8
102.00955	2.7
102.96872	3.1
103.02453	0.8
111.00354	0.4
115.02440	0.5
116.98654	0.7
119.01926	100.0
119.96082	0.4
119.98845	2.1
120.02003	5.6
120.97897	2.3
121.01659	0.6
125.02350	4.0
125.07140	0.7
128.01068	0.5
131.01926	0.6
133.03413	0.9
137.02962	18.2
137.99803	1.0
138.03044	1.4
142.03519	1.7
143.01935	1.6
143.03403	28.4
143.08200	0.5
144.03778	0.6
144.04845	0.6
144.10275	0.4
161.02975	2.0
161.04675	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02888	0.3
50.15441	0.3
55.01873	1.3
55.05518	0.4
56.96328	0.5
56.96570	4.6
57.03440	1.2
58.99868	1.2
60.95144	1.1
60.95853	1.0
64.03265	0.3
65.36919	0.3
68.13309	0.3
69.03436	2.8
70.13506	0.6
70.13871	1.1
70.98123	0.4
70.99878	2.6
71.04977	0.3
77.00922	0.8
78.52954	0.5
81.03420	0.4
81.04560	1.2
82.01476	0.5
82.99849	3.8
83.01340	0.4
83.06122	0.3
84.08134	0.7
84.46938	0.3
85.02918	0.6
89.00891	1.3
89.19817	0.3
95.06064	0.6
97.02910	2.9
98.06066	0.4
98.20842	0.4
98.21361	0.5
98.97593	1.3
100.02542	0.5
101.00891	41.2
101.95079	1.5
101.97205	0.5
101.97803	0.4
102.00971	2.7
102.96889	4.0
103.00656	0.5
103.02441	0.5
110.19814	0.4
111.00375	0.3
115.02480	0.4
116.98621	0.7
118.03524	0.4
119.01933	100.0
119.96051	0.6
119.98808	1.4
120.02007	5.5
120.97928	1.9
121.01635	0.6
121.02406	0.6
124.02479	0.6
124.95531	0.4
125.02377	3.6
131.01941	0.4
133.03435	0.9
137.02968	20.8
137.49931	0.3
137.99818	1.2
138.03050	1.3
138.98940	0.5
142.03523	1.6
142.96558	0.5
143.01950	1.5
143.03415	23.3
143.08151	0.3
156.97488	0.6
161.02992	1.8
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
53.03941	6.7
54.03470	1.5
55.01867	5.1
55.05507	3.9
55.61824	1.3
56.05029	4.2
56.96560	4.9
57.03440	25.0
58.06592	2.6
58.96175	2.1
67.05503	3.1
68.05047	4.0
69.03441	16.0
69.07071	14.0
69.88577	7.0
70.06587	2.5
71.04992	4.9
71.08639	18.1
72.04517	3.2
79.05502	61.0
80.05035	1.4
81.04533	2.6
81.05775	3.1
81.07065	34.0
82.06582	5.3
83.04992	4.4
84.08157	13.6
86.06091	1.7
96.04488	4.4
96.08142	12.6
96.08745	1.8
97.02895	15.1
97.06544	93.6
98.06071	1.9
98.06870	1.9
98.09699	4.6
98.97564	2.6
100.97192	7.4
100.97958	3.5
101.00864	3.7
106.06548	4.4
113.53685	1.6
114.09181	14.7
118.96741	3.7
118.98251	3.1
118.99072	3.8
119.01921	13.3
124.03954	1.6
124.07597	18.0
124.11221	1.7
125.02372	15.3
125.06010	83.5
128.06227	5.1
137.02951	3.1
142.03517	3.1
142.04964	4.9
142.07608	2.9
142.08653	35.5
142.12263	4.8
143.03416	100.0
145.86905	1.5
147.33812	1.4
148.37157	1.4
149.49176	1.4
160.04630	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08548	3.8
56.96569	7.7
57.03431	6.9
62.88027	3.2
68.05051	4.4
68.97370	3.3
69.03429	4.6
70.99865	5.7
81.03420	9.6
81.04538	7.8
82.58360	3.3
82.99841	5.7
86.03628	4.5
97.02920	4.0
98.20737	9.0
98.21455	13.8
98.97569	8.0
100.97159	3.2
100.98027	3.3
101.00890	47.7
102.02258	6.3
114.05524	3.2
118.01112	6.8
118.03500	4.2
119.01936	100.0
125.07136	3.7
137.02971	15.5
142.03526	21.7
143.03413	8.6
157.66548	3.4
160.04462	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	142.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48895	6.0
55.15201	7.2
60.41662	5.6
64.78297	6.7
64.97991	6.1
71.45554	12.2
79.31020	7.0
82.99815	6.9
100.02522	8.7
101.00896	50.5
111.77740	6.5
119.01929	100.0
137.02936	12.6
142.03514	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	140.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90056	0.5
56.96293	1.1
56.96571	20.2
58.29894	0.6
70.16816	2.3
71.95271	6.8
81.04555	2.7
93.04517	0.9
95.02439	1.2
95.06127	0.8
98.97591	100.0
104.76029	0.6
116.98627	41.4
122.07229	0.5
134.99661	9.5
140.00171	0.8
140.08195	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
63.08129	5.6
69.33308	55.5
82.09646	5.4
82.99841	12.5
90.18898	5.6
98.21465	12.2
101.00888	39.9
119.01949	100.0
134.37694	5.7
137.02963	16.9
142.03513	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	139.0391
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03952	3.6
55.01879	10.0
55.05512	3.0
56.96334	0.7
56.96571	8.0
59.04999	0.9
65.03946	19.6
66.04293	0.6
67.01875	6.1
67.05508	9.1
67.16253	0.6
68.99798	15.0
69.03433	5.1
70.87844	1.4
71.01363	2.2
71.95257	1.7
72.63946	0.5
77.78605	0.6
79.05503	0.7
83.04987	7.9
87.82661	0.6
91.05465	0.6
93.03413	14.2
93.07072	0.9
95.04971	5.1
95.08612	0.6
97.02917	3.3
97.06514	0.9
98.97591	24.8
98.98485	1.2
99.00834	0.8
104.16313	0.5
111.04449	32.2
112.04808	0.7
116.97359	0.7
116.98636	12.7
121.02884	2.3
121.10129	0.6
134.99667	3.7
139.03914	100.0
140.04262	2.5
143.37196	0.5
143.70328	0.5
158.61588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	Gentisate aldehyde
Peak:m/z	Relative Intensity
53.00308	10.8
53.03941	1.1
55.01876	4.5
55.05507	1.8
56.96571	7.0
64.86223	0.5
65.03947	24.8
67.01866	2.3
67.05518	2.7
68.99797	6.3
69.03443	1.6
70.93562	1.0
70.93887	0.6
71.01347	0.8
71.95268	1.7
79.05486	0.7
80.12106	0.5
81.03415	1.0
83.04990	5.1
86.59258	0.5
91.05434	0.6
92.69784	0.5
93.03416	8.3
94.06561	0.6
95.04987	1.5
97.02900	1.7
98.97591	28.9
98.98526	1.3
111.04450	21.0
116.98631	12.7
121.02879	13.8
121.03887	1.1
134.99670	3.7
139.03914	100.0
140.04266	2.0
151.89647	0.5
153.00658	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0551
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03933	0.5
55.05509	0.6
56.96564	0.7
57.92253	0.3
58.46320	0.3
63.68269	0.3
65.03931	1.2
67.05505	1.0
68.05025	1.1
69.03426	0.7
71.05552	0.5
78.03020	0.4
78.03459	6.0
79.04212	1.5
80.05017	0.9
80.51836	0.3
82.06577	0.5
84.04502	0.4
85.51174	0.3
91.05463	0.4
92.04985	1.3
93.03423	0.4
93.05775	0.8
93.07043	0.4
94.06573	3.5
95.08578	0.4
96.04498	16.9
96.08126	0.7
106.02902	0.3
108.04486	4.5
108.08064	0.3
109.05268	0.6
109.69247	0.3
110.06059	3.2
110.09673	1.7
110.87359	0.3
111.03212	0.5
111.04420	0.4
120.04465	0.9
120.08146	0.4
120.20329	0.2
121.06548	0.4
123.06854	0.4
124.03962	4.2
136.03951	0.3
138.05508	100.0
138.09024	1.7
139.05832	2.1
145.12021	0.3
151.21561	0.3
154.05003	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0551
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03932	0.8
54.38330	0.2
65.03933	1.0
67.05502	1.2
69.82959	1.3
69.83282	0.2
78.03455	1.0
78.05247	0.2
81.61309	0.2
92.04422	0.3
92.05009	9.5
93.05765	1.1
94.06575	19.8
96.04502	3.1
98.20715	0.3
110.06050	12.0
120.04481	0.3
136.03926	0.4
138.05510	100.0
139.05861	1.2
154.04950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0551
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03944	0.8
58.31294	0.2
65.03947	1.4
66.06516	0.2
67.05504	1.2
69.61037	0.5
69.61446	0.8
78.03471	1.2
78.60732	0.2
79.04231	0.3
89.95717	0.2
92.05010	8.8
93.05782	1.0
94.06575	20.8
95.06897	0.4
96.04502	2.9
110.06051	11.5
133.03539	0.3
136.03937	0.5
138.05510	100.0
139.05876	1.2
154.05016	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.02345	0.7
53.03948	2.8
55.01884	0.7
55.05510	3.8
57.07071	1.2
65.03938	1.5
66.04719	1.1
67.05509	33.5
69.03428	2.1
69.07069	3.3
69.39500	5.8
79.05498	5.6
81.07068	15.9
91.05489	14.3
93.07049	4.9
94.04189	7.8
94.07851	1.5
95.04971	2.7
95.08616	20.3
101.08234	0.7
103.05463	1.7
104.06213	0.9
104.28053	0.8
105.04520	0.9
107.04967	25.8
107.08587	1.9
109.06545	1.6
109.10168	34.7
110.10483	0.8
113.28727	0.7
117.07015	2.1
119.08592	15.0
121.06525	9.9
122.03671	11.6
122.07295	100.0
123.07653	1.1
135.08131	3.8
137.02385	1.4
137.05998	16.8
137.09627	87.2
137.13263	1.7
138.05486	1.4
138.09990	1.5
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	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03935	4.4
55.01861	1.9
55.05522	6.7
56.96565	1.2
57.07071	7.1
62.13937	1.0
65.03954	2.9
66.04732	6.9
67.05511	28.4
68.05036	1.1
69.03418	2.5
69.05385	1.1
69.07065	7.5
70.57642	1.0
71.55112	1.4
79.05499	18.3
81.03423	1.6
81.07062	82.6
87.44096	1.1
91.05488	11.0
92.04986	1.2
92.08155	1.0
93.07060	9.9
94.04192	48.7
94.06567	3.5
95.04953	4.8
95.08613	89.0
96.04478	1.8
96.08085	1.2
96.08931	2.4
107.04966	3.0
109.06525	7.8
109.08512	1.9
109.10161	8.6
110.06030	2.9
110.09692	2.2
119.04955	2.0
120.04517	1.7
122.03654	71.3
122.07301	2.3
134.07906	1.0
135.04434	1.2
137.02527	5.5
137.05981	100.0
137.09619	4.9
137.10631	1.3
137.13261	6.1
138.05479	15.6
138.06357	2.4
138.09158	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	137.1327
Annotation	alpha-Terpinene
Peak:m/z	Relative Intensity
51.02384	0.8
53.03934	3.4
55.01861	1.7
55.05511	7.3
56.96557	1.3
57.07081	8.8
64.21134	0.8
65.03935	4.0
66.04429	0.7
66.04724	5.7
67.05508	32.9
68.05012	1.6
69.03425	2.0
69.07063	8.3
70.93784	1.5
76.28912	0.8
77.03922	1.0
79.05500	15.5
81.03396	2.1
81.07059	83.6
82.06583	1.0
91.05486	14.0
93.07036	9.8
94.04192	40.6
94.06582	1.9
95.04958	3.9
95.08610	100.0
96.08121	0.9
96.08927	2.0
98.48976	0.9
105.03373	1.0
105.04501	1.3
107.04948	2.9
107.08607	1.8
108.09374	1.0
109.06534	8.3
109.10150	9.4
110.06039	2.3
110.09692	1.7
119.04966	2.0
119.08562	2.3
120.04509	1.2
121.06522	1.7
122.03652	53.8
122.07286	4.8
123.03984	1.0
137.02507	6.3
137.05978	79.9
137.09627	12.9
137.13266	10.8
138.05482	10.7
138.06380	2.0
138.09146	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0963
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
50.57241	1.2
52.82193	1.2
53.03955	7.2
55.01868	3.7
55.05516	25.1
56.96564	2.9
57.07055	1.4
57.20895	1.2
65.03954	6.6
66.04716	2.9
67.05511	100.0
69.03437	26.3
69.07066	4.9
71.34280	2.0
71.34633	1.7
79.05125	1.9
79.05509	16.9
81.03426	2.7
81.07067	35.9
83.04980	1.5
91.05488	35.3
92.05006	2.5
93.07061	21.6
94.04198	23.7
94.06583	6.8
94.07815	2.2
95.04973	18.3
95.08620	39.7
96.04486	5.6
96.05719	2.3
96.08913	1.7
105.07032	2.1
107.04952	4.5
107.08591	4.7
109.06519	16.6
109.10161	27.3
110.06049	7.1
111.08062	8.7
119.04941	3.4
119.08586	8.5
122.02854	2.5
122.03664	29.0
122.07310	11.7
137.02428	6.1
137.05977	47.5
137.07930	3.4
137.09624	49.1
137.13301	1.8
138.05515	48.1
138.06551	3.2
138.09114	2.5
147.25325	1.5
154.07460	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01892	1.3
55.05522	2.4
56.96576	1.5
57.03446	0.4
57.07080	0.4
57.92109	0.3
64.41442	0.3
65.03938	2.1
66.04729	1.8
66.20174	0.2
67.05511	31.8
68.05029	0.3
69.03442	2.6
69.07074	1.9
69.23720	2.6
69.24543	0.2
70.03733	0.2
71.31351	0.2
77.03946	0.9
78.04727	0.5
79.05499	7.2
80.05035	0.4
81.03426	0.8
81.07066	12.2
82.06580	0.3
91.05489	16.7
92.05852	0.5
93.07060	5.4
94.04198	13.7
94.06581	1.0
94.07842	1.4
95.04448	0.4
95.04986	4.0
95.08615	10.0
96.04516	0.7
98.21576	0.4
103.05469	1.8
104.06271	1.4
105.04527	1.1
105.07068	0.3
107.04966	24.5
107.08612	2.0
109.06529	3.2
109.10167	33.7
110.06053	0.9
110.09684	0.7
110.10475	0.4
115.05486	0.4
117.07035	2.2
119.04935	1.0
119.08593	15.6
120.04477	0.6
120.08864	0.3
121.06523	10.1
122.03671	18.1
122.07297	100.0
123.03956	0.4
123.07613	1.5
127.10803	0.2
135.04401	0.5
135.08073	4.2
137.02518	2.6
137.05992	29.3
137.09628	85.8
138.05505	4.2
138.06419	0.3
138.09048	0.4
138.09969	1.3
139.07518	0.5
147.21164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02393	0.5
53.03962	0.9
55.01875	0.7
56.96590	0.2
65.03940	1.9
66.04729	7.8
67.05514	0.8
69.03441	0.5
69.25792	1.8
77.03934	0.9
79.05499	4.6
81.03413	0.5
81.07068	2.2
91.05495	4.3
93.03420	0.4
93.07065	0.3
94.04196	52.6
95.04506	0.5
95.05029	1.1
95.08627	0.4
105.03436	1.0
105.04532	0.6
107.04966	2.0
109.06537	1.1
110.06090	0.2
119.04935	0.3
122.03658	71.3
123.03996	1.0
131.74435	0.2
132.57414	0.2
135.04439	0.8
137.05989	100.0
138.05656	0.2
138.06363	1.7
138.09113	0.3
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	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03943	10.1
55.01879	11.1
55.05511	22.0
56.96568	1.8
57.03428	2.3
57.07069	2.7
65.03944	10.3
66.04705	3.6
67.05505	100.0
68.99788	3.8
69.03432	16.0
69.07047	5.7
69.52131	5.3
69.52557	6.6
79.05497	41.7
81.03401	4.2
81.07060	96.8
82.06574	2.0
82.07381	1.6
82.53290	1.9
84.13963	1.5
87.12368	1.6
91.05482	69.4
92.04996	2.2
92.05822	2.4
93.07049	27.5
94.04186	27.3
94.06585	8.6
95.04982	18.0
95.08607	48.3
96.04491	3.2
107.04937	5.9
107.08568	5.0
109.02837	1.7
109.06537	29.5
109.07658	2.0
109.08442	2.4
109.10155	31.7
110.06031	5.6
110.09673	3.1
111.08076	4.5
119.04947	17.7
119.08566	5.6
121.06473	2.9
122.03653	26.5
122.07279	19.4
137.02472	8.8
137.05969	64.4
137.08015	2.9
137.09618	52.3
137.13266	3.6
138.05524	30.2
138.09134	3.9
144.27475	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.5
53.93606	0.4
53.98235	0.4
56.96563	0.5
65.03938	1.4
67.05517	1.5
68.99791	4.2
69.03443	0.6
69.82059	1.1
69.82449	1.0
74.89693	0.4
79.05482	0.8
80.37543	0.5
81.03426	56.9
81.07055	2.7
82.03773	0.5
90.23944	0.4
91.05476	3.2
91.34782	0.4
93.07040	0.5
94.04188	5.1
95.01335	0.4
95.04996	0.6
95.08610	1.2
96.02132	4.0
106.39323	0.5
107.04899	0.4
109.02895	2.6
109.06541	1.5
109.10192	0.5
111.00845	0.7
118.43379	0.5
119.05004	0.8
121.02871	1.4
121.71175	0.4
122.03658	5.2
122.07230	0.7
127.03954	4.1
137.02353	100.0
137.05936	10.2
137.07913	1.0
137.09647	1.1
138.02730	1.5
138.05505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02383	0.7
52.69556	0.4
53.03951	1.2
55.01876	0.8
59.35823	0.3
65.03947	2.4
66.04727	7.9
67.05512	0.6
69.03454	0.4
70.78865	0.9
77.03929	0.9
79.05503	4.6
81.07065	1.9
91.05480	3.7
94.04195	57.3
95.04982	0.9
105.03391	1.3
105.04522	0.3
107.04959	1.9
109.06545	0.6
118.18958	0.3
122.03656	73.6
123.04007	1.2
128.23602	0.4
131.47766	0.3
135.04420	0.8
137.05986	100.0
138.06343	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.0
54.29279	1.6
68.99792	3.5
70.50091	4.8
72.08705	1.5
81.03424	58.8
81.07071	3.2
85.31795	1.4
91.05479	2.3
92.91743	1.4
94.04203	2.6
95.08609	2.8
96.02143	2.8
97.53936	1.5
98.21388	1.8
109.02898	2.1
109.08443	2.0
122.03646	4.1
127.03914	2.0
137.02351	100.0
137.05997	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	137.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03709	0.6
53.03951	7.5
55.01860	0.7
58.19645	0.5
63.01668	0.5
65.03929	0.6
67.05508	2.2
68.05022	0.9
68.99799	5.5
69.03428	1.0
70.06570	0.6
70.50139	1.8
74.57785	0.5
79.05503	1.7
80.79456	0.5
81.03425	58.1
81.07066	3.8
82.03725	0.8
82.06577	0.7
91.05499	4.3
93.07053	1.3
94.04192	2.8
94.06605	0.6
95.01346	0.7
95.04977	1.5
95.08617	3.9
96.02114	3.1
96.04483	0.7
109.02889	3.0
109.06507	3.7
109.07687	0.5
109.08459	1.8
109.10164	1.0
110.06043	1.0
119.04980	0.8
122.03658	2.3
122.07267	0.9
127.03935	3.1
137.02354	100.0
137.05858	5.5
137.07997	1.5
137.09619	3.3
137.10725	1.3
138.02687	1.3
138.05521	1.6
138.09193	0.9
138.10246	0.6
155.03410	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0758
Annotation	N-Benzylformamide
Peak:m/z	Relative Intensity
50.01596	1.4
51.02381	2.8
53.03709	1.2
53.03951	20.3
54.03478	1.0
55.01866	3.1
55.05503	2.1
57.07079	1.0
65.03935	6.3
67.05510	9.1
68.02636	1.0
68.05029	3.8
69.03439	5.9
69.88434	2.3
69.88855	2.4
70.02963	1.5
77.03929	4.1
78.04716	2.2
79.05499	5.4
80.05026	8.3
80.05820	2.0
81.03425	3.1
81.07069	9.6
84.65743	0.7
89.65792	0.7
91.05489	53.1
92.05838	4.0
93.05802	10.4
93.07053	21.0
94.04192	7.0
94.06580	2.8
94.07384	2.4
95.04976	19.9
95.08612	6.4
96.04500	1.7
105.04530	9.8
106.07349	1.8
107.07281	1.1
108.04488	3.6
108.08141	26.5
108.08930	4.1
109.01112	3.6
109.06537	1.6
109.10173	1.3
112.67142	0.8
117.05756	1.6
118.06533	4.8
119.03590	4.6
120.08894	1.4
121.05255	0.7
122.03668	10.0
122.07288	2.6
126.05522	9.2
136.02182	37.6
136.03944	2.5
136.06216	28.9
136.07590	100.0
136.11136	1.7
136.12071	1.8
137.02408	1.1
137.04588	1.8
137.05974	13.4
137.08043	1.1
137.09641	3.4
147.47289	0.9
151.96367	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Adenine
Peak:m/z	Relative Intensity
55.02990	0.3
63.18642	0.2
67.02999	0.4
70.88837	0.2
70.89187	0.3
77.43166	0.2
80.34173	0.2
91.05488	4.5
92.02517	0.4
92.79436	0.2
94.03524	0.1
94.04062	3.8
107.04951	0.5
109.05142	0.6
109.25012	0.2
112.05087	0.4
113.00869	0.2
119.03561	12.8
119.04957	0.9
131.01915	0.7
136.06198	100.0
137.04593	5.8
137.06488	0.7
137.07512	0.2
152.23979	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0759
Annotation	N-Benzylformamide
Peak:m/z	Relative Intensity
51.02394	1.3
51.74447	1.2
51.78231	1.4
53.03955	22.0
55.01878	2.7
55.05503	1.3
63.38122	1.3
65.03931	6.8
67.01843	1.3
67.05511	8.0
68.05034	3.9
69.03432	7.4
70.58497	3.6
70.63970	1.3
73.11685	1.2
74.05226	1.1
77.03922	5.1
77.92136	1.3
78.04723	1.8
79.05502	6.4
79.82742	1.1
80.05020	7.9
80.05833	2.7
81.03432	3.2
81.07069	8.6
91.05490	55.2
91.79720	1.2
92.05807	4.4
93.05807	12.6
93.07052	24.6
94.04182	5.5
94.06581	2.5
94.07381	5.0
95.04982	18.0
95.08610	5.3
96.04508	2.0
105.04532	7.1
106.07315	1.8
107.08606	1.4
108.04496	3.9
108.08128	20.8
108.08937	9.3
109.01118	5.2
109.06546	2.3
109.10100	1.6
118.06549	6.1
119.03562	4.2
119.04955	1.6
122.03660	5.9
126.05551	7.2
136.02180	41.2
136.03934	3.8
136.05182	3.0
136.06213	33.4
136.07585	100.0
136.08362	3.7
136.12039	2.4
136.48592	1.2
137.02519	1.4
137.06000	14.8
137.09648	3.1
154.05013	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02377	1.1
52.12617	0.8
53.03958	9.0
55.01867	1.5
55.05276	0.8
55.05517	15.8
65.03937	2.0
66.39878	0.8
67.05512	28.6
67.05873	1.4
68.05021	0.9
69.03415	1.1
69.07076	7.6
69.35969	7.0
70.40856	0.8
74.72217	0.9
76.99693	0.8
77.03915	1.6
79.05500	81.6
80.05016	1.1
80.05820	1.1
81.03418	1.5
81.07065	30.3
89.03884	1.0
91.05489	27.9
93.07052	100.0
94.07856	1.8
95.04550	0.7
95.04995	7.6
105.04551	4.3
105.07041	7.1
107.04957	3.7
107.08604	65.0
108.04440	0.9
108.08134	2.5
109.01098	1.1
109.06507	1.8
111.77380	0.8
112.03930	0.9
114.64993	0.9
117.07031	0.8
118.06560	1.0
119.06075	1.8
119.08574	2.2
120.09352	0.8
133.10132	1.8
135.04416	3.7
135.08107	1.7
135.11702	55.8
136.02182	13.7
136.05237	0.6
136.06206	12.0
136.07535	5.2
136.12086	1.2
137.04573	1.3
139.62354	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1171
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03957	12.9
55.01884	2.8
55.05519	20.5
56.96568	1.9
65.03938	3.5
67.05518	22.4
68.05025	3.0
69.03419	3.3
69.07069	11.4
71.55045	1.8
77.03893	2.2
79.05501	77.4
80.03809	1.4
80.05022	3.4
81.03413	2.1
81.07070	24.5
91.05493	49.2
93.07053	100.0
94.07855	2.9
95.04978	13.8
105.04530	6.7
105.07039	15.7
105.68126	1.4
107.04962	15.2
107.08604	87.5
108.08148	10.5
109.01143	2.1
109.06518	5.2
112.03989	1.9
115.05468	3.4
117.07014	3.8
118.06550	3.2
119.03574	2.8
119.06084	3.1
119.08598	5.2
120.09378	2.8
122.93440	1.6
125.66806	1.4
126.05578	1.6
126.12020	1.6
133.10138	2.7
135.04428	9.8
135.05487	2.6
135.06519	2.2
135.08055	6.1
135.09093	2.8
135.11708	40.8
136.02177	25.1
136.03880	2.3
136.05197	4.0
136.06198	36.3
136.07573	13.6
136.11232	1.9
137.04620	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03951	16.1
54.03477	4.2
55.01866	4.6
55.05523	18.5
58.93872	2.1
63.10886	2.1
65.03929	5.1
67.02986	3.3
67.04241	2.4
67.05515	22.7
68.05026	6.4
69.03442	4.0
69.07060	8.5
71.55857	2.5
77.03913	3.6
79.05500	69.8
80.05022	4.9
81.04560	2.7
81.07063	22.9
83.02417	2.2
84.03260	5.7
91.05493	60.6
93.04535	49.9
93.07050	100.0
94.04085	3.4
94.05334	14.2
95.04935	13.8
95.06117	10.2
96.06886	5.1
105.04540	4.8
105.07045	16.5
107.04971	25.0
107.06069	3.5
107.07876	5.2
107.08599	86.9
107.09305	4.8
108.05624	5.2
108.06882	5.8
108.08137	6.5
109.01111	2.9
109.06542	7.8
109.07652	9.8
112.04026	2.9
115.05445	4.2
117.07036	5.2
118.06534	3.0
119.03600	5.3
119.06106	4.2
119.08601	8.6
120.05585	2.7
120.53139	2.2
134.07164	32.4
135.04503	13.8
135.05542	6.8
135.06662	20.9
135.07974	30.8
135.11691	43.1
136.02170	35.9
136.03951	3.9
136.05176	5.6
136.06201	38.4
136.07579	9.7
136.08740	14.7
136.11205	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03936	6.3
55.01847	1.7
55.05516	8.7
55.34037	1.6
58.29781	1.3
61.70564	1.4
67.05498	2.8
69.07072	2.1
70.10401	5.5
73.44806	1.3
79.05497	23.2
81.07055	3.2
85.08828	1.4
91.05487	57.2
92.06294	1.6
93.06486	3.1
93.07053	50.4
95.04952	5.2
104.06279	2.1
105.04542	2.5
105.07045	27.5
107.04955	3.6
107.08604	100.0
109.06520	4.8
115.05442	2.9
117.06982	3.8
119.06085	5.9
119.07796	2.2
119.08588	22.1
120.09409	7.6
133.10150	2.4
134.63028	1.5
135.04367	1.7
135.08076	8.3
135.10724	3.3
135.11699	38.4
136.02174	2.9
136.06203	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03952	8.2
55.01859	1.7
55.05516	14.4
56.96561	1.2
57.07076	1.4
64.96874	0.8
65.03938	3.7
67.05508	23.2
69.07076	7.9
69.70165	3.4
77.03937	1.9
78.04738	1.2
79.05499	76.7
80.05836	1.0
81.03407	1.4
81.07063	26.9
89.03912	2.0
91.05486	44.4
93.07050	100.0
94.07312	0.9
94.07845	1.8
95.04981	8.5
98.21458	1.0
102.90109	0.8
105.04538	4.2
105.07035	15.4
107.04963	7.0
107.08598	86.4
108.08150	3.0
109.06530	4.7
115.05448	2.3
115.99717	0.9
117.07028	2.9
119.06071	3.8
119.08604	4.8
120.09365	2.4
135.04427	6.2
135.05473	1.9
135.08075	8.4
135.11699	49.0
136.02184	9.7
136.06206	5.3
136.07565	3.4
136.27736	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.93452	1.1
53.03948	13.5
55.01881	3.2
55.05518	13.3
65.03938	3.8
67.05500	7.3
69.03415	1.7
69.07070	6.5
70.60149	1.6
70.60458	2.3
77.03935	3.0
79.05502	59.9
81.03421	1.6
81.07059	5.7
89.03943	1.5
91.05490	68.4
92.05814	1.7
93.07052	98.3
95.04976	16.0
98.20795	1.5
105.04530	5.2
105.07039	23.2
107.04973	10.3
107.08604	100.0
108.08156	2.4
108.08917	1.3
109.06518	5.3
109.84377	1.2
115.05467	6.7
117.07021	6.1
119.03458	1.2
119.06094	6.2
119.08604	11.8
120.09364	4.2
126.18782	1.2
133.10121	1.2
135.04453	12.5
135.05469	1.8
135.08076	12.1
135.10727	2.6
135.11697	30.4
136.02162	11.2
136.06194	10.4
136.07565	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	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01611	1.2
53.03733	1.2
53.03949	11.6
55.01869	2.9
55.05516	17.3
56.96558	1.1
63.18312	0.9
65.03941	2.4
67.05173	1.7
67.05512	18.6
68.05025	2.5
69.03446	1.9
69.07072	7.5
71.17316	1.3
71.55382	1.2
77.03917	1.2
79.05500	69.0
80.05015	4.1
81.03420	2.2
81.07059	19.9
91.05488	47.1
93.07050	100.0
95.04966	12.8
105.04532	4.6
105.07037	14.2
107.04974	19.3
107.08602	78.1
108.08137	7.4
108.08849	1.8
109.01122	2.6
109.06547	3.6
113.80700	1.1
115.05431	1.7
117.07003	3.0
118.06590	2.4
119.03545	3.5
119.06074	3.9
119.08601	7.1
120.09385	2.3
133.10193	1.4
135.04433	10.6
135.05440	2.0
135.08069	8.9
135.11711	43.1
136.02176	22.2
136.03908	2.1
136.05203	1.7
136.06209	28.1
136.07594	12.7
137.04581	2.0
138.45695	1.1
151.28839	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	Isochavicol
Peak:m/z	Relative Intensity
50.86110	0.3
51.02374	0.3
52.48297	0.3
53.03938	1.6
54.50941	0.3
55.01865	1.9
55.05503	1.4
65.03948	3.9
67.05505	2.2
67.57163	0.3
68.05002	0.5
69.07085	0.5
69.43586	2.6
79.05498	18.0
80.05050	0.6
81.03415	0.6
81.07073	1.1
86.50636	0.3
91.05486	34.1
92.06270	0.9
93.07054	5.8
95.05000	1.8
98.75851	0.3
104.00005	0.4
105.04511	0.7
105.07036	9.1
106.04193	0.5
107.04949	2.4
107.07867	0.8
107.08600	12.7
108.08133	1.9
109.06533	3.3
115.05470	9.6
116.06240	0.9
117.07037	2.9
119.03664	0.4
119.06068	2.0
119.08566	1.0
120.05728	1.9
135.04535	1.7
135.08061	100.0
135.11613	2.5
136.02184	3.3
136.06229	2.2
136.07561	1.4
136.08488	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03960	4.7
53.04171	0.9
53.92044	0.9
55.01875	15.4
55.05505	2.9
57.03431	1.0
57.37054	1.0
65.03949	10.4
67.05517	8.2
68.02638	1.5
68.03697	0.9
68.05009	2.3
69.03432	14.2
69.90510	3.8
77.03931	1.3
79.05499	56.4
80.05028	2.8
80.05832	1.3
81.07060	2.2
91.05486	100.0
92.05788	1.3
92.06275	2.3
93.05779	1.6
93.07050	16.7
95.04964	10.8
98.20794	1.4
105.04543	2.8
105.07037	35.0
107.04967	8.6
107.08602	57.0
108.08138	7.3
108.08875	1.8
109.01117	1.6
109.06533	12.0
115.05462	29.5
116.06277	1.7
117.07024	21.4
118.06604	1.4
119.03493	1.1
119.06081	7.4
119.08607	3.8
120.05728	2.0
135.04430	6.7
135.05449	2.0
135.08067	35.3
135.11685	4.7
136.02171	17.2
136.03867	1.3
136.06197	14.0
136.07553	8.9
136.08450	1.5
137.04601	1.2
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
57.92693	5.1
68.18362	4.5
70.02983	5.6
70.69169	5.0
71.39858	4.9
74.02448	100.0
75.02768	9.0
79.51921	8.8
81.03432	5.4
86.52707	4.9
88.04016	39.6
90.67499	4.2
92.35603	4.3
92.85767	5.6
94.78207	4.5
97.15855	5.4
100.02506	12.6
101.00901	5.5
117.89658	5.0
128.49547	6.8
137.50020	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	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37427	4.4
53.03953	6.2
55.01868	8.7
57.03445	26.6
58.99886	6.6
68.70834	4.7
69.03439	10.9
69.63992	8.0
69.64405	15.0
72.52973	5.3
73.02925	14.7
77.00893	4.0
77.52197	5.7
77.82215	4.8
78.52964	8.0
79.05504	20.3
79.51171	16.5
79.77689	4.7
81.03390	5.5
82.01455	11.2
83.20565	4.0
84.52961	4.5
85.02927	3.9
85.53739	4.8
86.52695	17.1
87.53511	5.3
88.02693	19.5
88.51698	46.8
89.01727	17.0
89.51579	9.4
91.05500	6.6
92.03456	4.2
93.01889	5.4
93.07031	4.3
93.53466	8.1
95.53224	6.2
98.20764	9.0
100.02497	52.0
100.52459	9.0
101.00892	32.1
101.02600	7.4
102.02378	11.7
104.84417	4.2
106.06570	18.3
106.07311	6.5
107.04936	5.9
107.98227	4.5
111.02975	21.6
111.53349	4.1
113.00835	8.3
115.02457	7.9
116.98677	8.3
117.48689	5.6
118.03533	22.7
119.01942	60.6
119.48986	11.1
120.02000	19.5
120.04188	6.7
121.01669	9.8
122.53728	7.4
124.02449	14.1
125.99246	21.9
126.49252	7.5
128.49501	66.8
128.99551	13.7
129.03975	7.9
129.49348	7.9
131.01920	23.4
133.03517	5.3
134.06023	30.6
135.04433	9.9
137.02943	7.2
137.50024	100.0
138.00073	26.9
138.49898	23.0
142.03514	46.8
143.01950	5.2
143.03624	7.8
144.03221	7.6
147.04984	7.0
149.00800	12.8
149.02873	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	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.05517	4.6
67.05519	0.8
69.54099	0.7
69.67934	5.0
72.57673	0.7
77.03931	0.9
79.05499	12.3
91.05492	33.5
93.07054	7.3
95.04956	1.8
98.21468	1.7
103.05489	5.8
105.07042	98.2
106.07340	1.0
107.08579	1.6
112.02097	0.7
115.05466	9.4
116.06221	2.4
117.07030	10.5
117.73851	0.8
118.07826	9.0
129.07080	1.0
131.08572	11.3
133.06505	2.6
133.10146	100.0
134.10490	2.8
135.08025	0.8
135.27199	0.8
137.39603	0.8
146.58684	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43489	0.8
53.03934	2.3
53.29166	0.7
53.70205	0.7
55.05512	4.4
59.64394	0.6
65.00413	0.7
65.03944	0.8
67.05500	1.5
70.79031	2.3
77.03932	1.1
79.05500	12.0
83.32812	0.7
91.05491	38.6
93.07064	7.6
95.04972	2.0
97.70765	0.8
103.05473	6.5
105.07042	100.0
106.07379	1.1
107.08597	1.9
115.05459	8.5
116.06254	2.1
117.07021	9.9
118.07817	10.7
120.36702	0.7
123.07969	0.9
131.08582	10.7
133.06569	3.7
133.10144	92.0
134.10503	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.05526	4.7
56.96566	0.9
65.03934	1.0
67.05510	1.4
69.03431	1.6
74.02451	1.4
74.31759	0.7
77.03951	1.1
79.05498	10.7
91.05490	37.4
92.81071	0.7
93.07064	6.3
95.04961	2.3
103.05489	6.7
103.29195	0.7
105.03400	1.4
105.04563	1.6
105.07038	100.0
105.84020	0.7
106.06602	1.0
106.07355	2.0
107.08658	1.5
115.05465	8.7
116.06285	0.9
117.07037	11.0
118.07815	9.5
131.08569	12.2
133.02930	1.3
133.06541	6.1
133.10139	90.7
134.10468	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03938	2.1
55.05521	2.8
65.03940	0.7
67.05502	0.6
69.26714	3.2
69.27114	1.0
70.28205	0.4
77.03942	0.9
79.05498	7.5
91.05489	24.5
93.07059	5.3
95.04958	2.0
103.05495	4.7
105.07040	60.6
106.07365	0.7
107.08601	1.4
115.05468	8.3
115.83403	0.5
116.06245	1.3
117.07030	11.0
118.07043	0.7
118.07825	10.5
124.73917	0.4
129.07013	1.0
131.08577	8.4
133.10144	100.0
134.10513	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	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15334	0.5
52.30657	0.7
53.03941	2.8
55.01873	0.8
55.05516	3.9
65.03949	1.0
67.05487	1.2
70.89895	1.3
71.93197	0.5
77.03934	1.0
79.05492	11.9
84.87356	0.5
85.34696	0.5
91.05489	35.4
93.07037	6.5
95.04956	2.2
103.05482	6.3
104.47134	0.6
105.07040	99.7
106.06606	0.8
106.07327	1.2
107.08618	2.0
115.05453	8.6
116.06229	1.8
117.07030	10.0
118.07813	9.3
123.07941	0.7
129.07013	1.1
131.08574	11.2
133.06520	7.9
133.10141	100.0
134.10474	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	133.1015
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.63678	0.4
50.64653	0.4
51.02388	0.4
52.32347	0.3
53.03949	2.1
55.05514	3.2
57.72130	0.3
64.41031	0.4
65.03934	0.9
67.05491	0.8
70.67206	1.2
77.03924	0.6
79.05496	9.2
86.03387	0.4
91.05489	27.9
92.05807	0.4
93.07058	6.8
95.04971	1.9
98.46661	0.4
103.05479	5.7
105.07038	69.9
106.07361	1.2
107.08602	1.6
110.85971	0.4
115.05465	8.8
116.06291	1.9
117.07028	10.1
118.07810	10.0
126.97794	0.4
129.00731	0.5
129.07008	0.8
131.08585	8.6
133.02814	0.5
133.06497	1.5
133.10139	100.0
134.10486	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.00314	0.4
53.03940	1.8
55.05516	3.3
56.96522	0.3
65.03950	1.0
67.05496	1.1
67.53484	0.3
69.62686	0.3
74.02446	0.4
77.03930	0.7
79.05064	0.6
79.05497	8.1
91.05488	24.3
92.06295	0.4
93.07050	6.9
95.04977	1.8
95.08926	0.3
95.09605	0.4
99.86017	0.3
103.05473	4.8
105.07037	64.7
106.07362	1.2
106.62096	0.3
107.08587	1.5
115.05464	8.4
116.06272	1.6
117.07024	9.2
118.07813	9.5
119.08144	0.4
129.04984	0.3
129.06993	0.6
131.07585	0.5
131.08578	8.9
131.25542	0.3
133.06645	1.7
133.10139	100.0
134.06097	0.4
134.09618	0.6
134.10481	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.44433	0.7
52.26292	0.7
53.03943	2.1
55.05506	3.3
56.96559	0.7
57.87882	0.7
59.53619	0.7
60.33525	0.7
65.03938	0.7
67.05504	1.0
69.68448	3.5
69.68849	1.4
77.03930	0.9
79.05495	10.0
85.40763	0.7
91.05486	27.1
93.07058	6.4
95.04963	1.5
103.05480	5.1
105.07036	77.1
106.07364	1.4
107.08598	1.9
115.05458	9.7
115.06176	1.0
116.06210	1.0
117.07018	11.5
118.07804	9.5
131.08575	10.1
133.06476	2.7
133.10138	100.0
134.10486	2.4
142.38895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.8
54.36322	0.6
55.05515	3.7
65.03922	0.7
65.75044	0.6
68.74395	0.6
71.33925	1.2
77.03926	0.9
79.05498	11.0
80.97047	0.7
83.48643	0.6
91.05489	33.1
92.06314	0.7
93.07062	6.6
95.04982	2.3
103.05477	7.1
105.07040	82.7
106.07369	1.5
107.08623	2.6
115.05467	9.5
115.14022	0.7
116.06267	2.6
117.07026	10.3
118.07818	11.3
123.08010	1.1
131.08571	9.7
133.06491	2.6
133.10141	100.0
134.10478	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03946	1.6
55.05509	4.1
65.03929	1.3
67.05496	1.8
69.36787	3.8
69.37194	1.6
73.24559	0.6
79.05502	8.3
91.05491	37.8
91.22761	0.6
93.07075	3.3
95.04961	0.7
103.05504	3.5
105.07042	100.0
106.07390	1.0
115.05486	3.9
116.06255	0.8
117.07033	5.0
118.07790	4.3
118.24323	0.6
129.06966	0.8
131.08589	8.5
133.05437	0.6
133.06485	2.4
133.07622	1.7
133.10149	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	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
55.05511	1.1
65.03943	2.1
65.80241	0.3
68.33021	0.2
69.83154	0.9
69.83566	0.4
78.04709	1.1
79.05493	2.8
91.05486	100.0
92.05825	1.4
93.07024	0.5
95.04999	0.5
103.05453	2.4
104.06255	16.0
105.03439	0.3
105.07037	21.3
106.07371	0.3
113.36092	0.3
115.05465	0.6
116.62479	0.3
117.06980	0.5
118.04178	0.3
118.07793	0.6
131.08557	1.2
133.06496	0.7
133.07579	0.5
133.10138	10.6
134.10516	0.3
139.21591	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03947	2.0
55.05509	2.6
56.96569	1.2
67.05511	0.6
71.54628	0.9
74.02472	0.7
79.05499	6.6
86.01345	0.6
91.05488	17.1
93.07050	1.4
95.04977	1.0
103.05480	3.9
105.03410	1.2
105.07040	100.0
106.07381	1.5
110.06043	0.6
115.05472	1.2
117.06995	1.7
118.04153	0.8
118.07812	1.5
129.17305	0.7
131.08560	3.5
133.02902	0.9
133.06487	4.6
133.07603	2.7
133.10141	24.3
134.06042	1.5
134.10468	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0651
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02388	0.9
53.03959	4.2
55.01882	3.8
55.05507	1.9
55.28678	0.4
56.17564	0.4
56.55815	0.4
56.96568	3.4
57.03432	0.5
58.30625	0.4
63.02406	0.4
65.03952	0.4
66.39225	0.4
67.05502	0.6
69.03435	0.8
71.05007	0.8
71.55197	0.8
74.02445	1.5
77.03940	1.6
79.05505	15.0
81.04549	0.8
82.05352	0.5
87.10054	0.4
88.02211	0.6
91.05493	11.8
93.07050	1.6
95.04973	3.6
97.02937	0.5
103.05473	10.7
105.03451	2.2
105.07043	100.0
106.06589	1.2
106.07314	0.8
107.04968	1.1
112.02213	1.4
113.02944	0.6
115.05466	6.7
116.06248	0.5
117.07025	2.3
118.07833	2.3
122.59206	0.5
123.07977	2.5
131.04939	1.5
131.08585	2.7
131.37959	0.4
132.05620	0.5
133.02887	2.2
133.06511	61.9
133.10141	20.0
134.05991	1.7
134.06911	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	Atropaldehyde
Peak:m/z	Relative Intensity
53.03957	16.4
53.40811	1.2
53.88934	1.6
55.01848	1.5
65.03948	3.7
66.04739	15.1
69.31677	13.5
75.80800	1.5
77.03926	3.4
79.05504	47.1
79.05964	2.3
81.03413	2.1
88.07620	1.3
89.03927	8.8
90.04711	31.2
91.05492	4.8
92.02628	5.0
94.04185	2.0
95.04967	16.3
95.11558	1.4
98.20843	3.2
102.04730	4.0
103.05482	49.6
105.04534	6.7
105.07055	29.8
107.04934	1.5
115.05467	2.5
118.04176	87.0
129.04466	1.7
133.06511	100.0
133.07556	5.2
133.10152	6.7
134.07062	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	132.1022
Annotation	Isoleucine
Peak:m/z	Relative Intensity
56.96552	0.6
69.07074	12.2
70.76354	0.5
70.76679	1.1
79.13716	0.4
86.09712	100.0
87.10066	0.7
98.97672	0.4
124.62840	0.5
132.10184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.3
55.01878	3.6
55.05509	3.0
56.96571	100.0
57.03434	3.8
57.93537	1.7
60.95854	4.2
65.03939	1.4
67.05496	2.7
69.03425	4.5
70.06598	3.7
70.64079	1.6
71.04992	2.6
71.54884	1.3
71.95267	1.8
72.13958	1.2
72.93799	6.3
74.93165	5.5
75.01058	1.8
77.03924	2.1
79.05495	9.1
81.03431	6.0
81.04534	2.1
81.07076	2.2
82.01830	4.1
84.96047	5.2
85.02904	2.4
86.42274	1.4
87.01067	1.8
90.90395	13.4
90.94822	2.7
91.02387	1.4
91.05494	10.4
91.64102	1.3
91.90417	34.7
92.46283	1.4
92.90047	42.6
93.07048	1.7
95.00797	1.6
95.04954	3.2
96.01550	6.8
97.00496	1.6
97.02899	6.0
97.99200	4.1
98.86835	1.3
98.97591	3.7
99.04411	2.7
101.00777	4.6
102.96907	1.7
103.05479	3.1
103.47542	11.3
104.01281	4.3
105.03418	3.3
105.07036	40.7
106.06583	2.9
107.52355	1.4
109.91444	2.8
110.01294	14.1
110.06076	2.4
110.52852	1.5
110.91154	5.4
110.97541	3.1
111.02034	1.7
111.04395	1.7
112.02198	6.4
112.48036	6.0
113.01805	2.2
113.02979	3.4
113.96426	3.8
114.98319	2.5
115.05478	1.7
116.00231	2.8
116.97251	3.2
116.98601	3.1
117.07069	2.0
119.01837	10.2
119.53374	2.0
120.02578	1.4
121.52092	4.5
123.07927	9.7
127.03931	1.7
128.02325	1.6
128.98596	3.4
131.08566	3.2
132.90509	2.2
132.93001	3.0
133.02870	4.9
133.06496	6.9
133.07617	11.2
133.10139	20.6
133.92744	2.6
134.06004	3.7
134.09596	1.6
138.98949	1.7
140.98643	7.1
143.00197	1.8
144.04836	2.3
146.99695	2.0
147.93880	1.4
150.94095	4.3
151.93794	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	130.0865
Annotation	CYCLOLEUCINE
Peak:m/z	Relative Intensity
55.05512	0.3
56.05037	4.4
57.03426	0.4
67.05501	0.3
69.03432	3.0
69.07055	0.3
69.71827	0.5
69.72237	1.2
70.06597	59.1
71.06931	0.6
84.04511	18.1
84.08149	100.0
85.02913	0.5
85.08469	1.4
98.20843	0.5
101.00919	0.3
102.05608	0.4
112.07615	6.1
117.99106	0.2
129.59526	0.3
130.04991	1.3
130.08652	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	131.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.8
53.03951	3.5
55.01870	0.6
56.96569	1.2
57.03443	0.5
69.03437	0.6
69.07118	0.3
69.64606	1.3
70.03783	1.0
70.07391	0.3
77.03943	0.8
81.03427	0.4
84.08148	0.7
85.02898	0.4
85.04855	0.4
85.08479	2.4
86.09701	0.7
89.00785	0.3
90.90413	0.3
91.05482	4.1
95.04977	4.0
98.97640	0.5
102.04708	0.8
103.05478	100.0
104.05825	1.8
105.04522	1.9
110.97630	0.2
113.07948	2.3
115.05495	0.2
116.06255	0.8
122.40354	0.2
128.98605	0.2
129.07010	0.3
131.04947	10.4
131.05966	0.6
131.06915	0.9
131.08531	2.9
131.16328	0.3
132.05266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.8
53.03951	3.5
55.01870	0.6
56.96569	1.2
57.03443	0.5
69.03437	0.6
69.07118	0.3
69.64606	1.3
70.03783	1.0
70.07391	0.3
77.03943	0.8
81.03427	0.4
84.08148	0.7
85.02898	0.4
85.04855	0.4
85.08479	2.4
86.09701	0.7
89.00785	0.3
90.90413	0.3
91.05482	4.1
95.04977	4.0
98.97640	0.5
102.04708	0.8
103.05478	100.0
104.05825	1.8
105.04522	1.9
110.97630	0.2
113.07948	2.3
115.05495	0.2
116.06255	0.8
122.40354	0.2
128.98605	0.2
129.07010	0.3
131.04947	10.4
131.05966	0.6
131.06915	0.9
131.08531	2.9
131.16328	0.3
132.05266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64863	0.5
50.76874	0.4
53.03952	2.6
56.96569	1.7
57.03438	0.8
65.03943	1.6
69.03437	0.8
70.03765	1.3
70.83264	1.3
84.08157	0.9
85.08483	4.7
86.09720	0.5
91.05487	100.0
92.05822	1.7
95.04986	1.5
98.97617	0.7
103.05478	33.5
104.05812	0.9
105.04496	0.6
105.07019	1.8
113.07943	4.2
115.05463	11.0
116.06250	32.7
117.06531	0.6
118.47749	0.6
128.06239	3.4
129.07013	18.1
130.07396	0.6
131.04950	3.9
131.08572	85.6
132.08926	2.7
133.06450	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0396
Annotation	Isonicotinic acid
Peak:m/z	Relative Intensity
53.03933	0.9
54.60530	0.2
56.96545	0.8
58.06602	0.9
59.07374	0.5
59.56538	0.2
64.70115	0.2
67.05491	0.7
68.05051	1.2
69.68083	0.6
69.68491	0.6
72.25403	0.2
78.03465	4.5
78.06346	1.4
79.05475	0.7
79.69275	0.2
80.05024	19.6
81.05345	0.3
81.05795	0.4
81.07041	0.3
82.06570	0.6
82.99837	1.3
83.01499	0.3
94.02966	0.2
95.05030	0.3
96.04501	13.6
96.05254	0.7
96.08128	1.3
97.02866	0.5
97.05297	0.6
98.17693	0.2
98.21445	0.4
99.09209	0.4
100.02486	0.6
100.07591	0.3
101.00890	14.6
101.02583	0.7
102.00946	0.3
106.02938	0.3
106.06566	0.4
112.03972	2.4
117.10257	0.8
119.01930	41.3
120.02047	0.8
122.02400	0.5
124.03963	100.0
124.07586	2.2
124.08672	0.6
124.11225	3.1
125.04280	1.0
133.03560	0.2
137.02966	9.7
138.03146	0.3
140.03410	1.5
142.03502	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.076
Annotation	1beta-methylcarbapenem
Peak:m/z	Relative Intensity
53.03943	4.6
54.03469	3.0
55.05524	7.0
56.05035	2.4
56.96575	1.0
58.78926	1.0
61.58252	1.0
67.04251	1.6
67.05504	3.5
68.05035	12.9
68.05843	1.2
69.07075	4.3
69.96627	4.3
76.50777	1.1
77.03941	1.4
78.03449	3.3
79.05503	52.4
80.05029	28.0
80.05781	1.2
81.03430	1.4
81.05806	68.1
81.07061	16.9
82.02969	1.6
82.06580	3.8
82.07365	1.2
82.99848	2.8
83.01557	1.6
94.06572	6.2
95.04974	6.3
96.04510	18.7
96.05286	2.0
96.08141	74.3
97.02909	3.5
97.06559	2.3
98.21561	1.4
100.02502	1.3
101.00887	28.8
101.02595	3.7
104.33761	1.2
105.04513	1.5
106.06569	26.3
107.04960	2.0
109.05266	2.1
112.03979	15.0
119.01935	85.2
120.02145	1.2
124.03967	64.9
124.07605	100.0
124.11224	17.9
124.12039	1.7
125.02377	1.3
125.07970	1.8
137.02971	19.6
140.03470	5.6
142.03519	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31546	0.3
53.17759	0.3
66.07878	0.3
70.20069	1.1
70.20420	0.5
70.99858	0.4
78.76427	0.3
80.54363	0.3
82.01428	0.5
82.99856	4.3
83.01542	1.2
98.20908	0.6
98.21432	0.4
100.02502	1.1
101.00890	42.4
101.02557	3.1
102.00974	0.8
102.02252	0.4
111.00503	0.4
119.01931	100.0
120.01972	1.7
124.02464	0.9
133.03421	0.4
137.02969	20.2
142.03508	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	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55934	0.2
53.03935	0.2
56.96574	0.3
58.06594	0.2
58.99862	0.6
69.03446	0.2
69.90019	1.1
70.99871	1.7
77.00890	0.5
78.06327	0.8
80.05027	1.0
82.01461	0.8
82.99844	4.7
83.01511	1.7
84.01218	0.5
89.00900	0.8
89.81180	0.2
95.01982	0.2
96.04507	0.7
100.02491	1.8
101.00890	44.0
101.02562	4.3
102.00979	0.8
102.02247	1.2
103.00669	0.2
108.05077	0.2
111.00443	0.4
117.10267	0.2
118.03520	0.4
119.01929	100.0
120.01991	1.8
121.02391	0.3
124.02480	0.8
124.03959	4.4
124.04823	0.3
124.07625	0.6
124.08646	0.3
124.11227	0.3
133.03465	0.4
137.02966	19.9
138.03119	0.5
140.79320	0.2
142.03516	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60827	0.3
59.07672	0.2
70.99853	0.3
71.45329	0.3
82.01449	0.3
82.99848	4.6
83.01521	0.5
100.02492	1.2
101.00887	45.4
101.02540	1.2
102.00980	0.8
102.02248	0.4
111.00453	0.4
118.03532	0.4
119.01926	100.0
120.02003	1.8
121.02375	0.5
124.02446	0.6
124.03935	0.4
124.07635	0.2
133.03474	0.4
137.02962	18.9
138.03131	0.3
138.29659	0.2
138.30716	0.3
142.03505	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	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.2
55.01886	0.8
55.05518	4.2
57.07076	3.2
65.03948	1.5
66.04748	0.6
67.05511	20.2
68.05032	0.6
69.07079	1.9
70.85533	1.2
78.03458	1.4
79.05498	17.1
80.04567	0.9
80.05022	14.4
80.05779	0.7
81.03476	0.6
81.07061	100.0
82.01449	8.2
82.07402	0.7
93.07055	2.0
95.04972	9.3
95.08614	12.1
96.04500	6.8
98.21469	0.5
100.02488	30.4
101.00858	0.9
101.02611	0.8
105.07034	1.4
106.02889	0.6
106.07374	0.6
108.05753	0.9
108.07646	1.3
112.03959	0.8
118.03534	12.1
119.01926	2.5
121.10120	0.9
123.04250	2.0
123.05557	29.5
123.08081	6.8
123.09029	1.0
123.10031	1.5
123.11707	12.8
124.03957	7.9
124.05930	0.8
124.11234	2.0
140.03366	0.6
141.05067	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.1
53.03948	10.5
55.01872	2.0
55.05511	5.1
56.96574	0.9
57.07083	4.8
65.03943	1.7
67.05508	24.4
68.05025	1.5
69.07053	3.3
69.49075	5.7
74.58556	0.8
77.03918	1.8
78.03461	2.9
78.91153	0.7
79.05063	1.4
79.05499	19.0
80.05020	33.5
80.05764	1.5
81.03435	1.8
81.07059	100.0
82.01443	11.2
82.07393	1.1
91.38403	0.8
91.84074	0.9
93.07045	4.6
95.04972	58.7
95.08614	22.1
96.04502	11.8
96.08138	1.8
100.02489	41.7
100.03149	2.0
101.00895	3.0
101.02578	1.0
105.03419	1.3
105.04523	4.2
105.07006	1.7
106.02880	0.9
106.07385	3.9
108.05740	2.3
108.07668	7.4
112.03963	4.2
118.03532	17.1
119.01912	9.5
123.04447	16.3
123.05563	64.3
123.08070	22.1
123.10021	8.7
123.11708	20.0
124.03964	22.6
124.07657	1.4
124.11224	3.2
137.02956	3.1
140.03397	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.6
55.01883	1.1
55.05515	6.0
56.96555	1.6
57.07070	4.0
65.03934	4.0
67.05510	25.1
69.07058	3.5
70.79007	2.5
77.03964	0.9
78.03452	2.8
79.05064	1.6
79.05496	20.6
80.05022	35.7
80.06265	1.1
81.03423	1.1
81.07064	100.0
82.01452	20.1
82.07378	0.9
93.07037	3.9
95.04977	31.6
95.08614	17.8
95.09177	0.7
96.04503	12.7
96.08145	1.3
100.02491	65.3
101.00874	1.7
101.02552	1.4
103.05447	1.0
104.05795	0.9
105.03385	1.9
105.04508	2.7
105.07020	2.6
106.02895	1.7
106.07368	2.5
108.05747	2.0
108.07687	6.2
108.09361	1.0
112.03957	4.3
118.03532	28.7
119.01930	10.0
121.10114	1.5
123.04451	12.3
123.05556	65.1
123.08077	26.9
123.09989	7.8
123.11708	20.1
124.03963	21.2
124.07600	1.7
124.11240	5.2
137.02953	3.2
140.03468	1.7
141.05127	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73304	0.5
53.03952	3.3
55.01875	0.7
55.05521	4.9
57.07079	4.7
65.03944	1.1
67.05514	16.9
69.07072	1.6
70.50220	0.4
70.89686	1.1
77.03946	0.8
78.03479	1.1
79.05501	16.4
80.05030	11.2
81.03439	0.6
81.07067	100.0
82.01458	7.1
82.07397	1.2
82.59438	0.5
86.34933	0.4
91.05498	0.6
93.07053	1.4
95.04982	11.9
95.08612	11.2
96.04510	4.2
100.02496	25.0
101.00885	1.3
101.02596	0.8
103.05572	0.4
105.04523	0.7
105.07050	1.0
106.02962	0.6
106.07386	1.0
108.05766	1.3
108.07693	1.3
112.03986	1.6
118.03534	9.5
119.01933	4.3
121.10220	0.5
123.04449	3.2
123.05563	22.9
123.08088	7.7
123.09032	0.7
123.10017	2.4
123.11723	15.2
124.03960	6.8
124.11241	1.3
137.02992	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68545	0.5
51.51929	0.5
53.03963	2.9
55.01886	0.7
55.05510	4.5
57.07073	3.1
57.46223	0.4
65.03951	1.3
67.05510	15.5
69.07062	3.0
71.25163	1.2
71.25504	0.6
77.03912	0.8
78.03458	1.0
79.05498	15.5
80.05024	11.0
80.05820	0.9
81.07062	100.0
82.01453	8.8
82.07409	1.4
85.75995	0.6
93.07053	1.3
95.04977	11.0
95.08614	12.0
96.04505	4.5
99.57676	0.5
100.02491	22.5
100.03152	1.1
101.00903	1.1
101.02586	1.1
103.18684	0.5
105.04577	0.9
105.07026	1.2
106.02941	0.5
106.07346	0.7
108.05759	1.5
108.07665	1.5
108.09417	0.6
112.03983	0.6
118.03532	7.9
119.01948	4.1
121.10139	0.8
121.16965	0.6
123.04429	2.5
123.05556	21.9
123.08067	8.2
123.10005	1.5
123.11716	15.8
124.03951	7.5
124.11255	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.6
53.03954	3.4
55.01882	1.2
55.05513	5.7
57.07074	2.8
65.03952	1.5
67.05511	21.5
68.05042	0.6
69.07076	2.0
70.93826	0.8
70.94169	1.2
72.63013	0.5
72.76466	0.5
78.03461	1.7
79.05496	17.5
80.05022	16.2
80.05773	0.6
81.07063	100.0
82.01448	10.5
82.07394	0.8
87.18330	0.5
93.07040	2.1
94.07855	0.9
95.04980	12.2
95.08616	13.0
96.04495	6.6
100.02490	29.8
101.00851	1.0
101.02600	0.8
105.04531	1.4
105.07018	1.1
106.02869	1.1
106.07380	1.1
108.05789	0.7
108.07657	1.5
108.09393	0.7
111.27483	0.5
112.03960	2.1
118.03524	15.1
119.01955	3.2
121.10135	1.1
123.04424	2.6
123.05560	34.4
123.08074	10.6
123.09103	1.2
123.09995	1.5
123.11716	14.4
124.03970	10.2
124.11210	1.4
126.65852	0.5
137.02974	0.8
140.03488	1.1
141.05069	0.9
142.03560	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88717	0.7
52.37260	0.7
53.03956	5.9
55.01892	0.8
55.05521	5.3
57.07074	6.4
57.18678	0.8
65.03938	2.1
67.05505	18.0
69.07076	3.7
71.55648	1.0
77.03923	1.2
78.03442	1.2
79.05061	1.2
79.05497	17.0
80.05022	18.1
80.05801	0.7
81.03432	1.7
81.07059	100.0
82.01449	6.1
82.05306	1.7
82.07401	1.6
83.06129	1.7
93.07038	2.5
95.04978	26.7
95.08609	18.2
96.04503	8.6
96.08111	0.9
98.87849	0.7
100.02489	18.6
105.04528	1.8
105.07009	1.1
106.02937	1.0
106.07394	2.1
107.10364	0.7
108.06969	0.9
108.07667	3.3
112.03983	1.3
118.03521	9.0
119.01950	5.3
121.10132	1.6
123.04426	5.1
123.05556	33.6
123.08073	7.0
123.09222	1.3
123.10028	5.8
123.11711	22.4
124.03951	10.5
124.07842	1.3
124.08727	11.7
124.11230	2.7
137.02965	2.5
140.03406	0.7
141.05081	1.2
142.03543	1.0
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
53.03944	3.8
53.07380	0.7
55.05514	5.8
57.07080	4.2
65.03941	1.6
67.05511	15.9
68.05073	1.1
69.07078	3.4
69.38160	6.3
78.03451	1.0
79.05502	16.9
80.02360	0.7
80.05031	11.8
80.05810	0.7
81.07063	100.0
82.01456	7.7
82.07395	0.9
89.20482	0.6
89.51294	0.7
93.07050	2.9
95.04983	11.2
95.08617	15.1
96.04497	4.8
96.08188	0.7
98.21543	1.1
100.01850	1.5
100.02489	19.6
100.05930	0.7
101.00874	1.6
101.02493	0.7
105.04514	1.1
105.07048	1.2
106.07352	2.1
108.07668	2.6
112.04000	0.7
118.03537	10.9
119.01929	5.5
123.04391	2.5
123.05560	27.0
123.08102	4.2
123.09184	1.2
123.10052	3.7
123.11726	19.9
124.03966	9.3
124.08768	4.0
124.11227	2.4
137.02969	1.6
141.05075	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
55.05513	4.3
56.56185	0.5
57.07082	4.2
61.53856	0.6
62.38498	0.6
65.03944	1.2
67.05506	13.0
69.07083	4.6
69.85001	3.3
78.03464	0.7
79.05496	16.4
80.05022	11.3
81.07060	100.0
82.01442	4.6
82.07394	1.5
93.07042	2.3
94.07827	1.1
95.04974	5.6
95.08611	13.4
96.04517	5.2
100.02486	17.2
101.00867	1.5
102.72600	0.6
105.07061	0.7
106.07361	1.1
108.07684	2.3
112.03966	1.2
118.03532	8.7
119.01933	5.0
121.10132	1.6
123.04202	1.1
123.04602	1.0
123.05551	23.5
123.08089	3.3
123.09190	1.3
123.10000	3.5
123.11705	16.3
124.03957	5.7
124.11240	1.5
137.02948	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78038	0.7
53.03954	4.1
54.03480	0.7
55.05517	5.3
56.40131	0.7
57.07088	5.0
57.97965	0.7
65.03957	1.8
67.05511	15.9
68.05047	1.3
69.07081	2.7
69.16898	7.6
78.03477	0.8
79.05500	20.2
80.05027	11.7
81.04565	2.2
81.07065	100.0
82.05329	16.6
82.06580	1.5
82.07399	1.3
83.06113	8.3
93.07063	2.3
94.07819	1.0
95.04979	14.9
95.06043	0.7
95.08617	15.5
96.04505	4.9
96.08144	1.2
105.04522	1.8
105.07034	1.3
106.07380	1.8
106.68457	0.6
108.07661	3.3
108.09440	0.7
112.03955	0.9
121.10129	0.8
123.04485	3.2
123.05568	26.2
123.06647	1.7
123.07978	23.2
123.09202	3.3
123.10046	3.4
123.11726	20.5
124.03960	6.3
124.08730	81.9
124.11221	5.7
140.03503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.6
53.48569	0.7
55.05517	4.5
57.07074	5.0
60.95734	0.7
65.03952	1.1
67.05511	12.8
68.63318	0.7
69.07079	3.0
69.77108	4.1
78.03456	1.2
79.05502	16.8
80.05023	14.5
81.07062	100.0
82.01451	7.2
82.07402	0.9
83.85048	0.7
93.07045	1.8
94.07813	0.8
95.04972	6.7
95.08611	14.8
96.04494	6.2
96.08157	0.8
100.02486	24.3
101.00884	1.4
106.07358	1.1
108.07690	2.4
108.09418	0.8
116.90612	0.7
118.03526	10.7
119.01930	6.1
121.10126	1.1
123.04191	2.0
123.04544	1.3
123.05562	26.0
123.08077	4.1
123.09196	1.5
123.10027	2.9
123.11720	21.5
124.03967	9.2
124.08739	1.6
124.11223	2.3
137.02985	1.8
141.05177	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
53.03950	2.0
55.05513	3.4
57.07077	6.3
58.49036	0.5
59.36056	0.6
65.03951	0.7
67.05508	14.8
69.07080	2.6
69.45983	4.2
73.87936	0.5
74.24776	0.5
76.41711	0.5
78.03456	0.8
79.05499	16.5
80.05022	6.6
81.07063	100.0
82.01454	4.8
82.07388	1.2
88.32758	0.5
93.07043	1.8
94.07848	0.7
95.04984	3.3
95.08618	15.1
96.04497	1.9
100.02496	12.2
100.03136	0.8
101.00842	0.8
106.07340	0.6
108.07668	1.2
108.09393	0.8
112.03933	0.7
118.03528	5.5
119.01942	2.5
121.10146	1.2
123.04243	1.1
123.05563	13.2
123.08083	2.7
123.10072	1.4
123.11712	23.8
124.03952	3.4
124.11234	1.2
137.02966	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0808
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02370	1.3
53.03958	11.1
53.67831	1.3
55.01870	2.0
55.05512	10.3
57.07085	5.6
58.56367	1.1
58.97005	1.0
58.99869	1.7
60.36810	1.0
63.64145	1.0
65.03934	3.3
67.05512	42.8
67.74789	1.1
69.07056	3.9
70.99892	2.4
71.00208	1.3
77.03934	2.7
78.03462	4.6
79.05501	23.5
80.05025	37.1
81.03413	1.6
81.07061	100.0
82.01453	23.1
82.07401	1.9
91.05495	2.1
93.07043	8.9
95.04368	2.5
95.04977	49.3
95.08615	43.2
96.04494	19.8
96.08163	1.4
100.02489	80.0
101.00889	3.6
103.05458	1.4
105.03403	1.4
105.04527	2.7
105.07043	6.8
106.02911	1.6
106.07396	2.7
107.04984	2.5
108.05751	12.5
108.07681	4.5
112.03986	4.5
118.03530	33.4
119.01931	8.0
123.04442	15.7
123.05569	84.3
123.08080	64.1
123.09976	7.4
123.11710	21.9
124.03974	25.5
124.05917	1.3
124.07580	2.7
124.11258	4.5
137.02957	3.4
140.03430	2.0
141.05089	1.8
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
51.02375	1.6
52.03150	0.8
52.89950	0.8
53.03954	15.0
54.04282	1.0
55.01871	3.2
55.05517	14.2
56.96566	1.2
57.07085	4.1
57.57813	0.7
58.99862	1.0
62.56084	0.9
65.03947	5.1
67.05512	57.2
68.05012	1.3
69.07062	2.9
69.42492	3.1
69.42912	3.7
77.03934	4.0
78.03466	4.2
79.05497	24.5
80.05025	47.6
80.05791	1.7
80.06287	1.4
81.03440	4.2
81.07065	82.2
82.01453	21.0
82.06580	4.4
91.05478	3.0
93.07050	11.3
95.04979	76.4
95.08614	51.8
95.28121	0.9
96.04510	20.1
96.05228	1.8
96.08131	2.7
98.20842	1.7
100.02493	86.7
101.00876	3.1
101.02557	2.3
103.05453	1.0
104.05818	1.5
105.03387	2.3
105.04521	6.6
105.07043	7.2
106.02922	2.2
106.06620	1.8
106.07362	9.4
107.04970	2.5
107.07377	1.8
108.05753	7.6
108.06989	1.6
108.07673	15.7
108.09369	1.0
112.03987	4.0
112.66426	0.9
118.03534	45.0
119.01926	16.8
121.06489	1.4
121.10152	1.6
123.04459	29.3
123.05564	100.0
123.08077	59.1
123.09106	1.3
123.10007	22.9
123.11716	15.3
124.03078	1.4
124.03969	27.6
124.07594	7.1
124.08408	1.7
124.11246	3.7
137.02968	6.4
140.03438	2.1
141.05078	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.8
53.03949	13.0
55.01877	0.6
55.05519	6.3
65.03941	3.4
67.05516	2.2
69.42870	1.8
69.43288	2.9
77.03930	2.5
79.05500	37.3
80.05041	0.6
80.06284	1.1
81.03414	1.2
81.04544	1.2
81.07069	4.2
87.84312	0.6
91.04903	0.9
91.05489	42.6
93.07050	100.0
95.04978	12.3
98.20763	0.9
103.05479	9.3
103.49284	0.6
105.04537	5.4
105.07039	32.7
106.07843	3.1
107.00983	0.7
107.07345	5.3
117.07057	0.6
119.08595	5.2
121.02884	2.3
121.03983	1.1
121.06499	2.7
121.10146	23.5
122.07171	4.0
122.09678	5.5
122.10471	1.1
123.08076	1.9
133.07622	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	123.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	7.5
58.99847	2.0
66.27695	1.6
67.24176	1.8
71.39203	2.2
81.03435	5.0
82.01453	45.3
82.99868	1.8
85.02952	1.6
86.03683	1.8
100.00102	3.2
100.02493	100.0
101.00896	17.0
101.02547	2.7
109.02821	2.2
118.01141	3.5
118.03529	33.0
119.01936	35.4
127.92047	1.8
137.02939	7.0
142.03534	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
56.96556	1.0
57.03437	1.1
58.99845	1.6
67.05486	1.0
71.08473	1.4
72.56028	0.6
78.06355	1.1
80.05004	1.8
80.84819	0.7
82.01450	48.9
82.99843	1.9
83.01527	1.0
93.57426	0.7
95.04978	5.6
100.00113	2.9
100.02489	100.0
101.00887	15.1
101.02583	2.5
111.02957	1.2
113.00909	0.9
113.66774	0.6
117.05104	0.7
118.01142	5.2
118.03531	31.8
119.01934	31.7
123.04390	3.2
123.05549	4.1
124.03918	1.9
131.01965	1.3
131.77150	0.8
133.03529	0.8
137.02962	4.6
141.02646	0.7
142.03513	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01591	0.7
51.02385	4.1
51.47785	0.4
53.03953	8.3
55.01870	1.9
55.05508	0.8
55.40375	0.5
65.03948	1.2
67.05514	10.2
68.05038	0.4
69.98373	1.3
69.98790	1.1
76.86297	0.4
77.03936	12.1
78.03458	0.6
79.05486	1.9
80.05027	9.6
81.03427	1.7
81.07076	5.0
82.01450	5.7
86.32979	0.4
93.07058	0.5
95.04979	23.5
95.08619	1.7
96.04514	3.2
99.85160	0.4
100.02496	14.5
101.00872	1.3
105.03411	12.3
105.04489	4.0
106.02903	0.6
106.07385	1.5
108.07667	2.2
112.04024	0.6
118.03530	5.7
119.01933	4.9
123.04444	100.0
123.05537	17.4
123.08026	3.0
123.09981	2.2
123.11697	1.0
124.03970	4.0
124.04781	0.7
124.07552	0.6
124.11280	0.5
124.34287	0.5
137.02946	1.0
142.03523	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.60557	0.8
51.02379	0.8
53.03949	13.3
55.01868	1.5
55.05519	8.8
65.03922	2.5
67.05515	10.9
69.76684	4.9
77.03941	2.3
79.05499	51.6
80.06226	0.9
81.03426	1.5
81.04549	0.9
81.07076	4.2
91.05488	41.0
91.19137	0.8
93.07050	100.0
94.07389	1.0
95.04970	14.1
103.05469	9.3
105.04521	5.6
105.07040	39.5
106.07808	3.6
107.07347	7.6
119.08609	5.5
121.02893	2.4
121.04058	0.9
121.06519	5.1
121.10151	31.6
122.06017	1.2
122.09678	8.8
122.10508	1.2
123.08067	2.3
123.08897	1.0
133.07597	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02390	1.4
52.45179	0.5
53.03951	13.0
55.01884	1.0
55.05518	6.7
65.03950	6.0
67.05502	3.2
71.55513	0.9
77.03939	2.4
79.05499	39.8
80.05053	0.6
80.05803	0.7
80.06273	0.6
81.03454	0.7
81.04546	1.5
81.07070	6.0
91.05489	44.6
93.03368	0.7
93.07051	100.0
94.07410	1.6
95.04974	13.6
103.05472	11.7
105.04537	6.7
105.07040	48.1
106.06606	0.9
106.07835	5.8
107.07352	7.4
115.97174	0.5
119.08591	7.8
121.02885	5.1
121.03989	1.5
121.06540	4.7
121.10149	30.3
122.07220	0.7
122.09674	8.3
122.10468	0.9
123.08083	3.7
128.15910	0.6
133.07652	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	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02380	1.8
53.03950	15.3
55.01867	2.4
55.05511	6.2
56.96561	2.1
61.83876	1.1
65.03611	1.5
65.03942	21.3
66.65562	1.1
67.05498	4.3
69.27662	9.5
77.03946	3.6
79.05496	62.4
81.03428	1.5
81.07056	3.0
91.05483	38.2
92.56920	1.2
93.03412	3.4
93.07048	79.3
94.06546	1.5
95.04985	14.4
96.12298	1.1
98.03706	1.3
103.05476	25.1
105.04559	7.2
105.07036	100.0
106.07858	6.9
107.07339	19.9
111.04481	2.8
115.36795	1.0
119.08591	15.8
121.02875	26.5
121.03968	5.1
121.06515	15.4
121.10149	57.6
122.09681	19.4
122.10484	2.3
123.08080	9.5
133.07655	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02379	1.0
53.03951	19.2
55.01867	2.4
55.05515	7.1
56.96562	1.8
65.03951	8.1
67.05495	3.8
71.55650	1.5
77.03931	4.0
78.04730	1.3
79.05500	60.7
81.03431	1.7
81.07067	2.9
91.05492	51.0
92.05815	1.3
93.07051	84.3
95.04977	18.4
103.05484	27.5
104.05816	1.7
105.04541	9.4
105.07040	100.0
106.07870	7.6
107.07347	10.8
111.04478	1.5
119.08605	13.5
121.02898	7.6
121.04002	3.1
121.06527	18.8
121.07590	2.0
121.10152	63.6
122.09692	11.9
122.10496	1.9
123.08074	7.7
133.07610	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	121.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.6
51.76663	0.8
53.03953	13.3
55.01868	2.2
55.05515	3.4
56.96556	1.9
65.03948	4.9
67.05511	2.5
71.35097	2.1
77.03911	2.7
79.05502	50.4
80.06265	1.1
81.03426	1.4
81.07048	2.5
90.04799	0.8
91.05489	34.5
92.05799	1.5
93.07052	53.8
95.04977	14.4
103.05476	23.9
104.05800	1.3
105.04562	6.5
105.07040	100.0
106.07838	10.0
107.04960	3.3
107.07339	5.6
119.08591	16.3
121.02913	4.5
121.04024	1.5
121.06528	15.5
121.10154	56.0
122.09712	5.9
122.10466	1.4
123.08080	9.1
133.07614	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	120.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.1
53.03955	3.4
53.74474	0.6
53.78696	0.5
64.32408	0.6
65.67723	0.5
70.83468	1.0
72.09124	0.6
76.51199	0.5
77.03941	1.3
79.05501	1.3
80.05020	0.7
91.05488	10.0
93.07051	15.6
94.06564	0.6
95.04993	3.5
103.05476	93.1
104.05790	0.7
105.04523	1.0
115.11799	0.6
118.06540	1.6
119.07369	1.1
120.08115	100.0
121.08478	0.8
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
51.02372	1.6
53.03951	15.5
53.88395	1.4
55.01871	1.9
55.05511	5.1
65.03938	5.3
67.05505	3.4
70.72235	3.9
77.03934	3.2
78.04736	1.6
79.05502	56.5
81.03404	1.6
81.07066	2.6
91.05491	42.6
92.05829	2.0
93.07055	68.7
95.04984	16.6
103.05481	28.4
104.05798	2.9
105.04529	5.2
105.07041	100.0
106.07835	9.8
107.07349	21.9
116.73508	1.3
119.08616	10.8
121.02869	7.1
121.04066	1.9
121.06536	14.7
121.08427	2.0
121.10156	57.2
122.09689	22.9
122.10496	2.8
123.08090	9.2
133.07623	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	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.77492	0.5
51.02377	0.5
53.03947	2.3
56.81592	0.5
60.97178	0.5
61.72526	0.5
62.32011	0.5
63.02357	0.6
64.47126	0.6
65.03946	6.4
69.60197	4.0
77.03918	1.1
77.51299	0.6
78.04719	1.1
79.05508	5.5
91.05489	100.0
92.05845	1.4
93.07070	4.7
95.04971	2.6
102.04720	0.7
103.05487	10.1
104.06258	9.8
105.04562	0.9
109.06544	1.4
115.05473	5.3
117.07031	30.0
118.21392	0.5
119.04963	8.3
119.06087	2.4
119.08591	71.3
120.08912	1.4
131.06114	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0448
Annotation	4-Hydroxybenzonitrile
Peak:m/z	Relative Intensity
53.03952	0.6
56.05043	0.9
56.96575	0.8
65.03947	42.7
66.04287	0.5
69.97968	0.8
74.06087	0.9
78.93134	0.3
79.05486	0.6
91.05501	2.0
92.05014	100.0
93.05324	1.0
93.07050	2.1
95.04950	0.4
103.05487	5.1
104.05853	0.3
105.04498	0.3
105.07053	0.8
110.06065	3.2
120.04481	52.2
120.05474	1.6
120.08120	5.5
120.08910	0.8
121.02880	0.4
121.03984	0.6
121.04832	0.6
121.06502	0.8
121.10139	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13356	0.3
53.03952	2.5
54.04301	0.4
56.96567	0.5
65.03947	7.5
67.05524	0.5
67.37979	0.3
71.55032	0.4
71.55460	0.5
77.03922	0.5
78.04710	0.9
79.05493	6.0
91.05486	100.0
92.04999	0.8
92.05828	0.9
93.07042	4.4
95.04971	2.7
96.05343	0.4
102.04649	0.4
103.02461	0.4
103.05476	10.5
104.06258	10.3
105.04518	1.5
107.81073	0.4
109.06522	1.1
115.05458	4.5
117.07024	18.5
119.04962	5.7
119.06178	2.9
119.08584	71.0
120.08109	0.9
120.08904	0.7
131.06104	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02390	0.5
53.03952	2.5
55.01881	0.5
56.96563	0.5
65.03946	8.0
67.05517	0.7
71.55254	0.8
78.04714	1.2
79.05501	6.7
91.05492	100.0
92.05794	1.2
93.07055	4.5
95.04984	2.4
102.04703	0.6
103.05476	10.2
104.06268	9.4
105.04532	1.6
109.06551	0.5
115.05459	4.7
117.07033	18.0
119.04963	6.4
119.06104	1.8
119.08592	68.1
120.05566	0.7
120.08117	1.0
120.08904	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02385	0.7
53.03942	2.9
54.04280	1.4
65.03938	4.3
69.37448	6.6
78.04706	2.2
79.05493	7.5
91.05489	100.0
93.07053	5.6
95.04998	3.8
96.05317	1.9
103.05489	11.3
104.06264	14.3
105.04541	0.9
109.06559	0.9
115.05491	6.6
117.07030	24.3
119.04925	0.9
119.06078	3.4
119.08592	78.3
120.08893	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02002	0.9
53.03939	4.1
57.30884	0.9
59.06126	1.2
63.74965	1.0
65.03945	5.6
69.27932	6.9
69.28336	1.6
78.04713	2.4
79.05494	5.8
91.05490	100.0
93.04481	1.1
93.07043	4.8
95.04982	3.7
103.05473	10.1
104.06265	11.8
105.04525	1.1
115.05481	5.7
117.07025	22.3
119.05018	1.4
119.06056	5.8
119.08587	81.3
120.05598	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	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02367	0.7
53.03724	0.6
53.03951	3.2
53.88769	0.6
54.04287	0.6
56.12840	0.6
56.96569	0.7
65.03951	7.1
65.29688	0.6
67.05514	0.7
68.88619	0.5
71.25761	0.5
71.55190	0.6
78.04703	1.5
79.05500	7.8
91.05489	100.0
92.05014	1.2
92.05829	0.8
93.07053	5.4
95.04971	3.2
103.05480	10.4
104.06269	11.9
104.52905	0.8
105.04507	1.4
109.06544	1.2
115.05462	4.5
117.07027	19.0
117.07866	1.2
119.05036	3.5
119.06140	4.7
119.08590	91.0
120.04462	1.0
120.05572	1.0
120.08153	1.3
120.08935	1.6
121.06554	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03952	4.6
54.04276	0.8
65.03943	4.9
70.89375	0.9
70.89691	0.8
76.73579	0.6
78.04723	1.9
79.05496	8.3
83.91776	0.5
91.05490	100.0
92.05828	1.6
93.07047	4.6
95.04977	3.6
96.05334	0.5
102.04693	0.8
102.12101	0.6
103.05474	12.0
104.06264	13.0
105.04526	1.8
106.04843	0.7
109.06509	1.1
115.05466	5.8
117.07028	21.5
119.04970	1.5
119.06093	2.6
119.06847	2.3
119.08591	85.5
120.08936	1.2
121.06564	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03945	2.8
54.42394	0.5
56.96577	0.6
65.03951	5.9
71.55423	0.4
73.08535	0.4
73.33025	0.5
77.03933	0.8
78.04723	1.3
79.05502	7.5
91.05486	100.0
92.05008	0.8
92.05759	0.9
93.07053	4.3
95.04985	3.3
96.04475	0.8
103.05475	10.6
104.06257	8.2
105.04534	1.3
109.06511	0.8
111.33474	0.4
115.05472	4.9
117.07021	19.3
119.04988	3.0
119.06136	4.6
119.06837	1.3
119.08585	64.6
120.05566	1.2
120.08138	1.0
120.08892	0.7
131.06053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03944	0.6
55.92665	0.5
56.96551	0.9
62.70147	0.5
65.03606	1.1
65.03949	19.1
70.97986	0.7
70.98310	1.1
79.05511	0.6
82.20999	0.5
90.24377	0.5
91.05492	100.0
92.05794	1.1
93.07059	0.5
95.33595	0.5
103.05484	4.7
117.07051	0.8
119.04958	31.3
119.08606	1.7
120.08126	5.2
135.64069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.60784	0.4
51.02384	0.5
52.02337	0.4
53.03947	2.3
54.04266	0.4
56.96574	0.6
57.91989	0.4
63.73045	0.4
65.03942	7.9
65.50766	0.4
68.95284	0.5
70.94181	1.1
77.03939	0.5
78.04723	1.1
79.05502	6.0
86.16621	0.4
91.05488	100.0
92.05015	0.9
92.05830	1.7
93.07049	4.5
95.04969	2.1
103.05476	9.3
104.05547	0.5
104.06250	8.1
104.06900	0.8
105.04524	1.1
108.60138	0.4
109.06512	0.7
112.21735	0.4
115.05470	4.3
117.07027	16.3
119.04947	7.0
119.06071	2.0
119.06842	1.3
119.08587	62.5
120.04507	0.6
120.05577	0.8
120.08114	2.1
120.08919	1.0
131.06023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20633	0.6
51.72145	0.5
51.88200	0.6
53.81383	0.6
55.05519	3.0
56.05044	6.5
56.05849	8.4
56.96571	2.7
57.03434	0.8
58.06147	0.7
58.06603	0.9
60.07726	0.8
65.03947	20.9
67.05474	0.9
69.03436	2.1
70.58051	1.7
72.08160	13.4
73.07896	4.9
73.08492	43.4
74.06089	6.9
76.38678	0.6
81.03418	0.9
82.01452	1.2
85.53780	0.6
91.05486	100.0
92.04993	0.8
92.05817	0.7
100.02477	3.3
102.05556	1.3
103.05477	2.1
104.52934	0.7
118.03515	1.9
119.01910	1.7
119.04952	33.4
119.09045	2.0
120.08121	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03943	0.9
55.01877	0.8
55.05521	2.7
56.05040	6.7
56.05584	0.7
56.05849	8.1
56.96562	3.7
57.03444	0.9
58.06598	0.7
58.99877	0.5
59.06932	0.6
59.07390	0.5
60.07719	0.7
65.03947	15.2
67.05504	1.8
69.03439	4.7
71.53088	0.8
72.08163	11.1
73.02914	0.8
73.07910	3.0
73.08493	38.0
74.06084	7.7
77.93882	0.5
78.52969	1.3
79.05488	1.0
80.06273	0.8
80.47797	0.5
81.03410	1.6
82.01444	2.3
83.19556	0.5
84.79931	0.5
85.02938	0.9
85.26041	0.5
87.53502	1.1
91.05487	100.0
92.05013	0.6
92.05828	1.4
93.07041	0.5
93.53484	0.9
95.04962	0.9
100.02499	7.4
101.00894	3.0
101.02571	1.6
102.02254	0.9
102.05561	1.5
103.02456	1.5
103.05486	1.7
104.52851	0.7
107.05263	1.6
109.02831	0.5
110.78883	0.4
115.05472	0.5
116.05782	1.1
117.07028	2.2
118.03525	4.8
119.01937	13.6
119.04952	25.0
119.06035	2.3
119.08616	4.5
120.03278	0.7
120.04456	0.5
120.08102	0.8
121.03492	1.2
129.03987	0.7
131.01945	0.6
133.03485	1.3
137.02977	5.5
137.04807	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07364	2.9
67.05515	9.7
69.03426	22.8
69.43375	3.2
70.73555	8.6
76.17496	3.2
78.52969	8.2
80.02957	3.5
80.06329	3.4
82.01453	18.8
82.99870	4.5
83.01508	3.5
83.67845	3.1
85.01389	6.9
91.05472	7.3
93.07051	5.1
95.04994	3.8
100.02498	35.6
101.00901	47.0
101.02560	5.4
103.02480	10.4
107.05255	11.1
116.05824	9.4
118.03515	10.0
118.64915	3.8
119.01934	100.0
129.03973	4.4
137.02942	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	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.05514	1.9
56.96565	2.5
58.42974	1.5
65.03944	17.2
65.52197	1.9
67.05508	2.3
69.03439	22.3
69.07063	3.3
71.02987	4.0
71.15758	3.0
78.52953	3.6
82.01447	17.1
82.67579	1.5
82.99837	4.8
84.52988	2.5
85.01382	2.0
85.53744	2.3
87.53485	2.7
89.10885	1.6
91.05489	100.0
93.53481	2.7
100.02493	33.5
101.00891	33.8
101.02557	2.9
102.02246	2.0
103.02471	2.8
107.53180	1.7
112.03987	1.6
115.02454	3.2
116.05773	2.3
118.03522	9.8
119.01929	71.8
119.03568	11.5
119.04932	23.1
119.08655	2.0
131.01970	2.1
133.03474	5.1
137.02962	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
54.34797	0.8
55.78605	0.8
65.03934	1.2
69.97469	3.3
69.97871	1.5
72.08162	3.4
77.69706	0.8
84.29522	0.8
85.30458	1.0
91.05486	36.5
95.04977	1.3
100.84740	0.9
102.19872	0.8
116.85934	0.8
117.05769	5.6
118.06557	100.0
119.06909	1.4
128.08533	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0866
Annotation	L-Valine
Peak:m/z	Relative Intensity
51.06773	0.2
53.03953	0.7
53.59230	0.3
55.05516	21.8
56.05030	0.6
57.05816	1.5
58.06609	1.8
59.05006	0.3
59.07378	1.1
65.03938	0.8
69.03430	0.7
69.52054	0.6
69.52460	1.1
70.06604	0.6
72.08161	100.0
72.25123	0.2
73.08501	0.4
82.01447	0.4
87.04511	0.6
91.05482	4.6
92.03516	0.3
94.54275	0.5
100.02491	1.2
100.07650	0.4
102.41322	0.3
103.52969	0.4
106.05082	0.8
109.09873	0.2
112.07604	0.5
118.03581	0.3
118.06580	0.5
118.08654	2.7
118.09280	0.2
119.04988	1.1
120.03248	0.3
121.03453	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.05506	1.7
58.06593	1.9
59.07399	1.6
65.03944	1.7
70.77451	1.8
72.08164	7.8
76.93367	3.0
91.05490	41.3
95.04987	1.5
101.60677	0.7
117.05795	5.9
118.06557	100.0
118.08643	4.7
119.04980	1.2
119.06911	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01584	2.6
51.02375	6.8
53.03949	75.6
55.01883	2.9
55.05505	3.9
56.96574	2.6
58.06602	12.3
59.07410	9.3
59.07657	2.0
62.61927	1.8
62.85946	2.0
65.03947	2.0
70.48627	6.8
71.55033	2.2
72.08156	25.3
73.47858	1.8
76.92924	2.4
76.93362	9.1
77.03932	12.2
79.05504	3.5
81.03423	9.4
83.32114	1.9
83.52349	2.6
91.05488	63.1
95.04972	74.0
103.05453	4.5
104.06216	3.1
105.04520	34.9
112.70765	1.8
116.05817	6.9
117.07010	10.1
118.06551	100.0
118.07320	6.7
118.08651	25.2
119.08588	24.2
122.05294	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	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
50.01587	2.1
51.02380	12.7
53.03954	78.1
55.01876	3.3
55.05510	2.5
56.35046	1.7
58.06608	19.1
59.07388	16.7
64.26685	1.8
71.54622	1.9
71.54976	2.2
72.08163	19.4
72.36781	1.6
76.92879	2.5
76.93352	1.7
77.03926	11.3
79.05486	3.3
81.03421	6.4
81.88804	1.9
91.05494	51.7
93.07043	2.3
95.04977	79.5
100.11252	2.6
103.05460	4.5
104.06275	5.3
104.22240	2.0
105.04526	36.7
115.05463	3.5
116.05755	2.0
117.07026	13.1
118.06552	100.0
118.08662	46.3
119.06812	2.1
119.08588	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	110.0605
Annotation	3-Hydroxy-2-Methylpyridine
Peak:m/z	Relative Intensity
53.03945	0.4
54.04277	0.5
55.01879	0.4
55.05511	0.6
56.05038	2.1
56.96561	1.1
57.03424	0.3
59.24761	0.3
65.03946	1.2
65.52180	0.4
67.04237	0.6
67.05503	0.3
68.05047	0.3
68.95287	1.3
68.98291	0.8
69.03439	0.6
69.93761	0.8
71.02993	1.3
73.01841	0.2
78.52959	0.3
80.03520	0.2
80.05019	9.9
81.03419	0.5
81.04539	0.8
82.01421	1.4
82.03746	0.7
82.05318	0.6
82.06591	1.5
83.04997	0.3
83.06104	9.6
86.99310	1.1
87.04275	0.4
92.04992	2.3
93.04537	6.0
93.05790	8.3
99.02465	0.6
99.04300	0.3
100.02489	2.8
101.00882	0.7
105.00377	0.7
107.47587	0.3
109.05283	0.4
110.06049	100.0
110.07135	8.0
111.05611	0.4
111.06363	0.5
112.03996	0.3
115.01179	0.2
118.03525	0.7
119.01935	0.4
127.19407	0.2
129.04005	0.3
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	L-Proline
Peak:m/z	Relative Intensity
55.01867	0.3
56.05042	0.3
56.96563	0.2
61.04401	0.1
68.05025	0.3
70.06598	100.0
71.02402	0.1
71.02727	0.2
71.06921	0.8
81.03470	0.1
98.06064	0.4
109.78392	0.1
111.25893	0.1
116.07103	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02385	0.5
53.03951	9.6
55.01883	1.0
55.05516	11.5
62.74306	0.4
65.03946	4.5
67.05507	100.0
68.05789	0.6
69.07072	6.3
69.27280	4.0
79.05495	12.3
80.06279	1.3
81.02927	0.6
81.03419	15.0
81.07058	32.7
81.73630	0.4
88.87491	0.4
91.05495	2.5
94.04212	2.1
94.07835	1.3
107.04918	0.6
107.08602	3.2
107.64188	0.4
109.02882	5.2
109.06519	9.5
109.07667	0.7
109.10162	41.2
110.06036	1.9
110.10479	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02397	0.8
52.48141	0.4
53.03953	15.0
55.01880	0.6
55.05263	0.9
55.05517	10.3
59.00832	0.5
60.05791	0.4
65.03950	6.6
65.75214	0.5
66.33453	0.5
66.53671	0.5
67.05511	100.0
69.07068	6.7
70.71597	1.1
70.71930	0.6
77.03991	0.5
79.05502	15.6
79.05963	0.8
80.06283	1.6
81.03426	25.0
81.07063	37.7
82.06577	0.9
82.07378	0.5
87.00494	0.9
91.05492	3.7
94.04192	2.3
94.07858	1.4
95.04977	0.8
107.04989	0.9
107.08616	3.8
109.02882	4.1
109.06530	15.3
109.07690	1.4
109.10167	41.5
110.06063	4.2
113.96405	0.6
114.36178	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0653
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.02376	0.9
53.03955	15.1
53.41592	0.4
55.01881	7.1
55.05523	4.6
55.45564	0.4
56.96581	0.6
65.03953	5.4
66.04720	1.4
67.05512	40.1
69.07069	2.3
70.46461	1.4
75.58581	0.3
79.05503	45.8
80.06326	0.5
81.03428	18.4
81.07066	45.9
82.07387	0.6
86.50645	0.4
87.00487	1.2
91.05492	12.1
94.04203	4.6
95.04959	1.1
105.75034	0.4
106.29581	0.4
107.04980	1.2
107.08630	1.4
109.02896	4.3
109.06531	100.0
109.10165	17.3
109.10931	0.6
110.06070	2.8
110.06773	0.7
113.96426	0.6
124.13528	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03956	5.4
55.05518	10.0
58.95277	0.3
65.03950	5.3
67.05511	100.0
68.05853	0.8
69.07074	7.6
69.29504	3.1
73.65029	0.3
79.05498	10.4
80.06285	1.5
81.03426	8.0
81.07065	34.1
82.06584	0.9
86.50630	0.5
91.05502	1.2
94.04184	0.5
94.07851	1.3
98.20744	0.7
107.08595	3.4
107.09212	0.4
109.02880	1.2
109.06545	2.8
109.07708	1.9
109.10166	39.8
110.06053	4.9
110.10448	0.4
112.11377	0.3
116.47585	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.91589	0.6
53.03955	5.6
55.05518	10.9
61.38221	0.5
61.98078	0.5
65.03945	4.5
65.13362	0.5
66.57906	0.5
67.05510	100.0
68.05000	0.5
68.05845	0.9
69.06727	0.6
69.07076	7.5
70.69349	1.3
71.94121	0.4
76.30381	0.5
79.05495	10.4
80.06281	1.0
81.03426	6.4
81.07064	31.7
82.06594	0.8
91.05493	1.7
94.04202	0.7
94.07846	1.4
107.08601	3.9
109.02868	1.2
109.06532	4.6
109.07699	2.7
109.10164	41.6
110.06049	3.3
110.10500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01593	0.2
51.02390	0.6
53.03706	0.4
53.03952	7.3
55.01877	0.8
56.96567	2.3
58.81318	0.2
61.04852	0.3
64.95560	0.5
65.03944	0.8
67.05499	0.3
69.24928	1.8
75.01038	0.3
77.03937	1.6
79.05499	100.0
80.05012	0.8
80.05839	0.8
81.03417	0.8
84.01562	0.2
85.31104	0.2
91.05489	5.1
95.04365	0.4
95.04976	8.0
105.04530	3.7
105.07040	1.4
106.06565	0.3
107.04965	12.6
107.08604	1.6
108.04476	0.7
108.08140	0.9
109.06534	0.7
119.06096	0.4
120.47013	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.01596	0.4
51.02377	0.6
53.03948	4.3
55.01867	0.8
57.33249	0.4
65.03947	14.6
67.05513	4.6
77.03918	0.9
79.05499	36.7
80.05019	0.6
81.03426	0.8
85.47031	0.4
91.05486	100.0
92.05773	0.9
92.06300	3.0
95.04984	4.6
96.19164	0.4
103.05448	0.9
105.04521	2.4
105.07036	26.5
106.04187	0.7
106.06606	0.6
107.04961	11.2
107.08601	26.2
108.08125	0.7
109.06518	8.4
119.06078	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	107.086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19783	0.8
53.03952	4.7
55.01880	0.7
55.05510	1.1
65.03947	16.1
67.04248	0.7
67.05506	4.5
71.55375	1.1
73.39434	0.7
76.04152	0.7
77.03953	0.8
79.05501	34.6
91.05488	100.0
92.06297	3.4
95.04990	4.7
105.04526	2.0
105.06316	1.0
105.07037	30.5
106.06570	3.0
107.04967	14.7
107.07375	2.0
107.08600	30.8
109.06511	10.7
119.06071	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	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02383	0.7
53.03945	2.1
55.01873	0.7
56.96566	0.6
65.03944	15.0
67.05502	2.7
69.99860	1.5
76.58833	0.3
77.03920	0.5
79.05496	15.9
80.05042	0.5
91.05484	100.0
92.05830	0.6
92.06270	3.0
95.04967	2.1
98.21495	0.4
99.63039	0.3
103.05494	0.5
105.04524	1.0
105.07037	29.6
106.04181	1.1
106.06585	0.8
107.04223	0.3
107.04411	0.2
107.04955	6.4
107.08598	30.4
108.04495	0.4
108.08123	0.6
109.06520	12.9
119.06075	8.3
124.05211	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.02374	1.2
53.03713	1.0
53.03948	16.3
55.01665	0.8
55.01876	7.4
55.05515	5.2
57.80545	0.6
65.03943	7.0
66.04726	1.2
67.05506	47.5
69.07063	3.0
69.57111	5.0
77.03918	1.1
79.05495	50.3
81.03414	14.5
81.07059	52.4
86.20200	0.7
91.05483	16.3
94.04189	6.2
95.04977	1.2
98.20695	0.9
107.04935	1.5
107.08601	1.5
109.02885	2.1
109.06520	100.0
109.10158	17.7
110.06077	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.5843
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07069	2.6
91.05442	2.0
115.05446	2.0
126.49205	1.6
129.07005	2.2
131.04951	3.0
139.03928	3.6
143.08621	1.7
145.06516	7.4
147.04416	3.7
153.01839	89.5
157.06517	4.2
159.04420	9.2
159.08040	2.7
159.76129	1.7
165.07014	2.6
171.02927	10.3
171.08093	2.3
173.06041	6.3
175.11182	3.3
177.05539	3.6
179.03423	6.8
183.02885	1.7
183.08047	1.9
183.11736	2.0
185.06003	6.6
187.07529	2.2
195.41182	1.6
197.05952	2.0
199.07568	5.6
201.05521	14.1
201.12758	21.0
211.07446	2.8
215.07077	3.5
215.10733	6.7
221.06055	4.5
227.07043	7.6
227.10689	6.8
229.08649	4.6
251.07077	4.8
255.06560	17.2
257.18970	3.8
267.06525	26.8
267.13571	2.4
269.08081	2.5
279.06543	19.6
285.07443	8.4
290.02414	1.8
297.07596	12.9
313.27298	5.3
331.28421	3.0
335.12817	65.4
336.12939	1.8
341.13919	9.5
353.13867	100.0
354.14090	2.8
356.71432	1.9
409.20154	90.4
535.15851	1.7
589.44763	1.8
605.85455	2.0
802.03821	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00670	3.1
76.02229	11.4
79.00396	1.1
79.05505	14.4
80.05020	11.3
81.03436	6.7
81.05795	3.5
81.07056	13.8
82.06595	2.3
83.06114	8.9
83.08619	2.7
84.04510	40.4
85.01134	41.1
85.02908	1.8
86.00655	26.1
86.99059	39.9
87.02681	2.9
88.02224	2.7
90.05557	30.8
91.05479	9.4
93.07055	10.8
95.04978	4.2
95.08598	9.6
96.04517	6.7
97.01122	10.4
97.02881	2.0
97.10163	2.9
98.00655	5.1
98.02428	3.5
98.06077	6.8
99.01418	1.3
99.02668	1.7
99.05585	1.8
100.02215	6.6
102.03775	25.5
102.05577	1.2
103.05494	1.4
104.01698	5.4
105.07034	6.1
107.04958	1.6
107.06104	1.4
107.08600	6.1
108.04488	1.6
109.07642	4.3
109.10180	3.7
110.06083	2.0
111.02663	1.6
112.02200	22.6
113.00616	5.4
113.01734	2.8
114.00105	3.3
114.03756	14.5
116.01682	17.8
116.03449	2.3
116.07098	14.9
119.08602	5.2
121.10128	4.4
123.02738	1.8
123.11642	1.6
124.02187	4.5
124.03887	1.6
124.07677	1.5
125.00586	1.6
125.09635	1.8
126.03740	4.6
126.05530	13.0
127.05026	8.0
128.07089	2.5
129.05606	1.1
129.06538	6.5
130.03239	11.5
130.05006	13.5
131.02750	23.5
131.08595	2.7
132.04779	2.4
133.10138	3.5
134.06062	1.9
135.05617	1.5
135.11711	2.6
136.03970	2.3
139.03210	1.1
139.05017	3.7
140.01657	4.6
141.04788	2.2
141.06592	3.9
142.03226	43.1
143.02737	21.2
144.06577	9.4
145.06194	2.9
145.10139	1.6
147.11682	2.2
152.01700	2.4
153.06589	4.9
155.08153	7.1
156.06598	7.2
157.04327	3.7
157.06099	2.1
158.02721	30.3
159.05798	2.2
159.07689	4.7
159.11635	1.5
168.04796	10.0
169.04350	10.5
169.05875	1.7
170.02744	4.8
171.07695	1.4
172.04196	1.4
173.09297	4.5
175.05435	2.2
176.03770	6.6
181.04430	2.0
181.06100	5.7
184.06029	2.1
185.03804	51.7
187.05431	3.3
191.04874	22.7
193.06429	22.1
193.12160	2.6
196.04276	12.9
199.05424	1.9
199.07153	3.8
201.06908	2.5
202.05362	6.0
203.04861	100.0
207.07919	1.3
208.04240	1.6
208.06058	1.7
211.05347	5.1
211.13144	1.4
213.07043	1.8
216.05728	1.3
219.04620	1.7
219.07996	41.5
223.05412	2.0
224.03682	2.9
229.06427	44.3
231.04385	5.9
231.08003	4.6
232.05138	1.9
233.05971	1.8
238.12682	2.0
240.10635	1.1
241.06413	11.7
243.04651	1.2
247.07498	30.6
250.12688	1.7
259.07480	19.5
266.12149	6.5
267.15967	3.7
269.05948	3.9
270.11002	1.4
282.52396	1.3
284.13184	3.6
287.07047	15.4
294.11603	1.5
299.07010	1.8
302.08029	3.8
313.08478	2.9
320.09116	4.5
321.09738	2.9
322.10818	6.4
322.14096	1.1
335.25824	21.2
348.12274	16.9
358.10776	2.0
358.16876	1.9
359.09140	2.4
376.11771	41.1
377.12204	1.3
383.16425	1.3
406.12283	1.3
439.18936	1.6
457.19650	2.3
475.20956	4.5
618.38409	1.7
622.25287	1.5
654.40668	1.4
717.40906	2.1
735.42413	13.0
753.43457	31.0
754.43732	2.4
771.44543	18.0
772.45013	1.5
793.42267	4.8
811.44696	6.4
864.44763	1.6
882.47821	7.4
900.32648	2.7
900.48914	45.4
901.48181	4.1
1062.53955	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01610	0.9
51.02383	1.8
53.03951	16.2
53.13199	0.3
55.01879	0.6
68.73556	0.3
69.45374	1.1
69.45802	1.3
77.03938	5.0
79.05498	54.6
79.08926	0.3
81.03443	1.2
95.04975	16.1
102.04712	0.4
103.05474	40.3
104.05811	0.3
105.04546	6.5
105.07037	100.0
106.07385	1.0
116.99948	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02380	1.7
53.03951	16.1
55.01879	0.7
60.04525	0.9
60.95860	0.7
65.03951	1.4
71.06538	0.6
74.58937	0.4
77.03939	3.5
79.05498	52.4
80.05838	0.5
81.03404	0.9
82.47691	0.7
91.48212	1.3
95.04372	0.8
95.04976	12.9
103.05474	34.2
103.08562	0.5
104.90858	0.8
105.04555	6.7
105.07036	100.0
105.11050	0.7
105.16812	0.5
106.06576	0.7
106.07380	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00655	4.1
76.02232	12.7
79.05484	12.7
80.05003	8.7
81.03412	4.5
81.05792	1.9
81.07052	12.5
82.06561	2.5
83.04965	2.0
83.06104	6.6
84.04504	35.6
85.01133	40.1
85.02877	2.7
85.05539	1.4
86.00654	23.8
86.99060	45.5
87.02706	2.6
88.02211	4.5
90.05558	31.0
91.05498	12.9
92.01665	1.6
93.07032	10.6
93.15393	1.5
94.06546	1.9
95.04957	2.3
95.08597	7.4
96.04486	5.0
97.01125	10.6
97.02821	1.5
97.10166	2.0
98.00627	5.7
98.06050	8.5
100.02223	7.7
102.00040	1.6
102.03769	23.3
102.05539	1.7
104.01698	7.3
105.07032	4.4
107.06103	3.0
107.08604	8.6
108.04501	1.8
109.07625	4.5
109.10178	4.7
110.06049	2.5
112.02192	27.7
113.00579	5.6
113.01740	2.5
114.00099	2.7
114.03760	16.7
116.01676	19.8
116.03448	2.2
116.07088	16.2
117.07034	2.0
119.08562	5.0
121.10128	5.4
124.02187	6.8
124.03931	2.8
124.07599	1.5
125.00579	2.9
125.09698	1.8
126.03742	4.4
126.05522	14.8
127.05035	5.4
128.07080	3.0
129.06575	7.8
130.03252	12.2
130.04999	14.7
131.01859	2.4
131.02763	21.3
131.08575	4.5
133.10109	2.3
134.05991	2.8
135.05562	1.9
135.11673	2.8
139.05023	4.5
140.01642	6.2
141.06610	2.7
142.03229	49.2
143.02731	21.8
144.06551	9.2
145.06100	2.2
145.10118	2.4
152.01640	1.9
153.06593	6.2
155.08142	7.7
156.06564	7.8
157.04297	6.5
158.02713	32.4
159.07646	5.7
161.13304	1.7
163.11172	1.7
166.03055	1.5
168.04784	5.8
168.06627	1.6
169.04321	11.8
170.02690	3.6
173.09264	4.3
175.05391	2.8
176.03798	9.0
176.07010	2.3
181.06068	6.6
185.03804	50.3
187.05374	1.8
191.04829	18.4
193.06427	21.8
193.12309	2.2
196.04318	9.1
199.05406	1.7
199.07101	3.0
201.06917	4.1
201.08701	1.7
202.05344	6.6
203.04851	100.0
206.39061	1.6
211.05385	4.0
213.06903	2.5
215.04922	1.9
216.05690	2.0
216.10995	1.8
219.07988	48.5
223.05424	2.4
224.03746	3.9
229.06450	42.6
231.04372	4.7
231.08046	7.0
233.05984	3.1
241.06419	13.2
247.07487	34.6
248.11020	2.1
259.07526	19.6
266.12152	6.7
267.15909	4.2
269.05969	4.0
284.13141	3.5
287.06973	13.8
294.11536	1.7
302.08011	3.3
313.08517	3.1
314.65350	1.5
320.09097	2.2
321.09903	2.9
322.10623	5.7
335.25739	16.8
340.15842	1.9
348.12241	20.7
358.10638	1.7
359.09079	2.0
365.14990	1.6
376.11743	45.0
475.21054	3.4
509.87827	1.7
717.41565	2.6
735.42487	13.9
753.31500	2.2
753.43652	31.0
771.44568	18.3
776.25043	1.5
793.42175	5.8
811.43127	6.6
811.99817	1.7
882.47876	12.1
883.46191	1.8
900.48907	47.9
901.48376	3.7
1062.53577	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	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.8
51.02387	2.0
53.03952	14.6
55.01872	0.8
56.96561	0.5
69.45337	2.6
73.31804	0.3
77.03938	4.1
79.05499	53.9
80.05839	0.4
81.03420	1.7
95.04976	16.6
103.05476	41.6
104.05752	0.6
104.90836	0.6
105.04536	7.6
105.07038	100.0
105.11055	0.9
106.07375	1.4
117.88887	0.3
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
51.02383	2.1
51.52282	0.8
53.03953	16.8
63.75188	1.0
65.03970	1.5
71.55498	1.0
77.03934	2.7
79.05499	56.8
81.03414	2.1
95.04976	16.2
96.04523	0.8
103.04794	1.9
103.05476	32.2
104.90844	1.0
105.04544	11.0
105.07037	100.0
106.06585	2.4
106.07333	1.0
112.06123	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02382	2.8
53.03952	15.3
53.19826	0.8
56.64894	1.0
62.23356	0.9
62.41919	0.8
70.78968	1.6
70.79309	1.2
77.03922	5.2
79.05502	49.5
95.04983	13.6
103.05479	31.7
105.04544	6.7
105.07041	100.0
106.07404	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5473
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00665	1.3
76.02230	28.0
79.05499	13.4
80.05009	1.4
81.03422	24.8
81.07062	15.7
83.04983	1.5
83.08624	4.8
84.04511	11.2
85.02892	1.9
85.06567	0.7
86.99042	1.5
88.02215	2.0
90.05562	20.5
91.03947	0.8
91.05484	11.9
93.07053	15.3
95.04991	8.6
95.08607	11.9
97.02891	1.6
97.06553	1.5
97.10158	1.2
100.02180	1.2
104.01693	5.2
105.07032	7.7
107.04960	2.0
107.08597	6.3
109.06534	1.2
109.10146	4.6
110.76663	0.6
111.08067	1.5
114.03797	0.9
115.05468	1.0
116.01685	11.0
117.06996	2.3
119.08591	6.3
121.06537	1.1
121.10155	6.5
123.08060	0.8
123.11716	1.2
124.02168	0.8
125.09624	1.0
126.05503	2.9
127.03968	0.7
127.05061	3.2
129.07053	3.3
130.03291	1.5
130.05016	6.0
131.08595	6.2
133.10146	4.5
135.11699	2.9
138.38304	0.7
141.04884	1.2
142.03241	6.1
142.07745	0.9
144.06552	1.7
145.06053	1.3
145.10139	3.6
147.08075	1.5
147.11702	4.3
149.09618	2.3
149.13260	2.4
157.10130	2.8
158.02728	47.3
159.07700	0.6
159.11679	1.8
161.13280	0.9
163.14862	1.3
170.02708	1.8
173.13286	1.8
174.94342	0.7
175.05391	6.9
175.11194	2.5
176.03769	18.2
185.03827	1.4
187.05394	2.4
187.14818	0.7
191.04871	5.4
193.06436	84.7
193.12186	6.9
194.06659	1.1
215.04944	3.3
227.12952	0.9
233.05940	11.4
241.06520	0.7
243.21112	1.5
249.14812	0.9
259.07611	1.6
261.22159	6.1
267.15921	25.4
301.25098	0.8
304.09659	2.5
305.07974	1.4
309.16992	0.9
322.10696	100.0
323.11087	1.5
335.25824	25.9
336.26065	1.0
355.11765	1.0
435.32455	0.9
453.33826	1.7
527.37476	13.0
545.38452	10.1
656.42053	1.5
719.42932	1.2
848.46869	2.4
866.48242	3.5
1028.54053	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02918	0.7
74.00657	1.8
76.02232	28.0
79.05500	12.2
80.05003	1.6
81.03425	27.4
81.07065	14.3
83.04967	1.4
83.06104	1.3
83.08620	5.0
84.04508	12.8
85.02892	1.2
85.03998	0.5
85.06519	0.5
86.00631	0.6
86.99043	2.0
88.02212	2.6
90.05560	22.1
90.96133	0.4
91.03922	0.6
91.05486	11.7
92.01700	1.4
93.06474	0.7
93.07050	11.8
95.04980	8.1
95.08051	0.7
95.08614	9.1
97.01102	0.6
97.02887	1.5
97.06514	1.3
97.10154	1.5
100.02179	1.2
104.01699	5.7
104.11037	0.4
105.04517	0.5
105.07037	7.2
107.04954	2.3
107.08596	8.0
109.06511	1.4
109.10165	4.4
111.02639	0.5
111.04452	0.5
111.08108	2.0
112.02219	0.5
114.03726	0.8
115.05449	1.2
116.00896	0.7
116.01689	13.4
117.07040	2.5
118.03207	0.5
119.08596	6.3
121.06522	1.0
121.10152	7.1
123.04402	0.7
123.08096	0.8
123.11714	1.4
124.02188	0.8
124.03972	0.4
125.09605	0.9
126.05526	5.4
127.05056	6.3
128.06233	0.7
129.07048	3.2
130.03311	2.1
130.05014	8.2
131.08586	6.3
133.06480	1.3
133.10129	4.8
135.08073	0.8
135.11710	3.7
137.13216	0.4
141.04836	0.9
141.06601	0.7
142.03247	6.2
142.07825	0.7
143.08626	0.5
144.06578	2.5
145.06094	1.9
145.09160	0.4
145.10146	2.8
146.02739	0.9
147.05786	0.5
147.08034	1.0
147.11707	4.3
149.09616	1.4
149.13252	1.7
157.10193	3.2
158.02724	47.9
159.07654	1.4
159.11703	1.3
161.13258	1.4
161.25345	0.4
163.11186	0.4
163.14799	0.8
165.12730	0.8
170.02673	1.8
171.11714	0.4
173.13243	1.4
175.05388	7.9
175.11215	2.5
176.03781	21.1
185.03822	2.2
187.05420	2.7
187.14772	0.9
189.11311	0.4
191.04860	11.5
193.06442	92.9
193.12248	7.0
194.06679	0.5
199.05367	0.7
211.13261	1.6
215.04849	3.4
227.12755	1.0
231.04347	0.9
233.05933	12.8
241.06462	2.1
243.21027	1.3
249.14919	0.6
250.12720	1.5
259.07510	1.9
261.22153	4.2
267.15927	28.4
276.15884	0.6
294.17075	0.5
301.14246	0.6
301.25128	0.8
302.08078	1.9
303.06540	0.8
304.09723	2.9
305.08014	1.4
309.16928	0.6
310.03186	0.5
317.24789	0.8
320.09106	1.3
322.10693	100.0
323.10904	1.6
335.25815	19.8
336.26117	0.7
337.27112	0.5
353.27112	0.5
355.11765	0.7
396.20084	0.5
435.32617	0.7
453.33606	1.3
471.34943	0.6
484.15637	0.7
527.37421	12.4
528.37738	0.7
545.38556	7.2
656.41687	0.7
719.42749	2.7
848.46863	1.7
866.48920	3.5
1012.32733	0.5
1028.52405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	6.3
59.07392	1.3
60.08168	54.2
69.03430	1.4
71.06577	0.2
71.06918	0.4
72.06980	0.3
72.77822	0.2
78.27496	0.2
86.06071	0.6
87.04484	2.6
104.10751	100.0
105.11111	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1044.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02908	3.6
74.00658	5.4
74.83238	1.3
76.02221	18.3
79.05504	9.1
80.05012	9.1
81.02987	2.6
81.03423	32.5
81.05804	3.6
81.07066	12.7
82.06579	3.2
83.04977	3.2
83.06111	9.6
83.08616	6.4
84.04513	43.8
85.00649	2.8
85.01137	43.8
85.02901	2.6
86.00661	24.8
86.99062	44.7
87.02680	4.7
87.04455	2.3
88.02201	3.4
90.05563	40.2
91.05485	13.7
93.07046	8.2
95.04981	14.7
95.08598	3.7
96.04486	6.8
97.01124	13.8
97.02863	4.2
97.06546	2.8
97.10162	4.9
98.00618	4.7
98.02398	2.6
98.06052	7.7
99.01446	2.1
99.05556	1.8
100.02195	7.3
100.03969	2.0
102.03773	28.5
102.05539	1.7
104.01706	7.3
105.07037	7.9
107.04951	5.7
107.08575	5.1
108.04482	1.8
109.06521	3.6
109.07649	4.3
109.10155	8.3
111.04417	1.8
111.08099	3.0
112.01441	2.2
112.02200	28.0
113.00575	5.6
113.01715	2.3
114.00137	3.2
114.03748	16.2
115.02189	1.9
116.01682	22.3
116.07100	15.8
117.06994	2.8
119.08567	6.4
121.10141	3.5
124.02145	6.0
124.03938	2.1
125.00569	2.9
125.09619	3.8
126.03745	3.8
126.05524	14.6
127.05051	8.1
128.07085	3.2
129.05595	2.0
129.06670	7.5
130.03264	13.1
130.04994	19.9
131.02760	20.9
131.08548	6.2
135.05548	2.2
135.11673	2.1
137.09573	2.0
139.02193	2.0
139.05025	6.6
140.01645	4.4
141.06624	3.3
142.03230	50.5
142.07713	1.8
143.01685	2.2
143.02737	19.6
144.06598	8.3
145.06131	3.4
147.08022	2.8
147.11700	4.4
149.09608	3.2
152.01645	3.7
153.06557	3.8
155.08217	8.1
156.06570	5.9
157.04288	4.2
157.10092	4.3
158.02725	42.3
159.07687	6.6
160.04227	2.3
163.11177	4.4
167.07208	1.6
168.04793	8.9
169.04323	13.8
169.05885	1.9
170.02693	4.1
171.02269	2.1
171.07620	2.7
173.09322	4.1
175.05391	4.7
175.11229	5.3
176.03821	12.2
181.06091	5.0
185.03815	66.6
187.05405	4.1
191.04858	20.2
193.06447	37.1
193.12245	11.1
196.04324	11.9
199.05325	2.6
199.07137	4.2
201.06920	4.5
202.05325	5.8
203.04865	88.1
211.05353	6.2
213.07013	3.1
215.04784	2.1
215.10355	1.6
216.05525	2.3
219.07991	49.0
223.07869	2.0
224.03763	4.9
227.12828	2.2
229.06436	43.3
229.14349	5.4
231.04294	7.4
231.08035	5.3
232.05014	2.2
233.05894	4.9
241.06444	12.6
247.07515	31.5
250.12599	1.6
257.06018	1.9
259.07516	20.8
266.12103	8.3
267.15927	29.2
269.05917	3.3
284.13062	3.4
287.07095	12.2
294.11609	2.5
320.09213	2.7
321.09854	6.3
322.10693	33.9
322.14447	1.9
348.12268	24.5
359.09122	3.9
376.11798	43.1
383.16135	2.3
421.25964	3.8
475.20972	2.1
475.27051	2.0
532.28302	1.9
596.29437	1.6
604.99353	1.8
649.31311	3.5
667.32684	16.3
685.33691	30.7
703.34674	31.3
725.32660	5.5
743.33698	5.8
796.36053	2.1
814.38165	13.2
832.39032	100.0
833.38251	5.0
847.38922	2.3
864.49799	1.7
865.22986	1.9
865.38922	5.2
976.42126	4.1
994.43994	30.8
995.43457	2.7
1045.33557	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
72.96043	0.5
74.97575	0.9
84.96035	5.0
85.02863	0.4
85.67016	0.3
86.97613	0.4
98.97587	64.9
100.99148	1.4
102.97095	0.5
110.96957	0.3
110.97569	19.1
112.99138	19.6
116.98627	21.8
119.00188	0.7
124.99099	3.9
126.97048	0.4
127.00672	0.5
128.98613	20.5
131.00175	28.1
134.99652	5.2
136.99104	0.5
140.00197	2.7
140.98575	3.8
143.00171	12.4
144.98099	1.2
145.01756	0.9
146.99661	9.2
149.01233	31.9
152.00148	1.9
152.98610	2.4
154.01782	1.6
155.00151	2.0
157.01703	0.8
158.01254	1.0
158.99664	29.4
160.99965	0.6
161.01245	9.0
162.99138	0.9
165.00719	0.8
166.01787	1.0
167.02278	5.9
169.01752	0.5
170.01202	0.8
170.99661	32.0
172.02859	2.1
173.01234	8.2
175.02783	1.6
177.00717	28.1
179.02328	0.8
182.01233	0.7
182.99603	2.3
184.02951	0.7
185.01244	6.8
187.02837	1.3
189.00723	30.6
190.03723	0.5
191.02283	8.5
194.01247	0.6
194.99690	2.6
195.01587	2.9
197.01253	0.9
199.02786	6.2
200.02296	2.7
201.00720	8.7
203.02275	8.4
203.04088	0.6
205.03822	1.0
205.46948	0.4
207.01772	2.4
209.01263	2.0
209.03166	0.9
212.02318	3.7
213.00769	4.2
214.03911	0.4
215.02251	3.2
217.03824	5.4
217.05482	0.5
219.01772	19.1
219.36972	0.4
221.03391	0.8
224.02385	0.5
226.03902	0.5
227.02245	2.8
231.01767	3.8
232.71005	0.4
233.03316	3.6
237.02821	9.0
240.05399	0.8
242.03375	1.7
243.01820	0.8
245.03339	0.7
245.10844	0.6
251.04364	0.4
255.03854	0.8
260.04459	0.7
261.02817	17.7
263.04596	0.5
274.06274	0.4
275.01501	0.3
275.04358	9.1
279.03897	17.3
291.03967	4.9
293.05450	38.6
297.04944	7.2
302.02185	0.3
302.05447	2.7
309.04965	5.2
311.06512	12.2
312.93002	0.4
316.07013	2.4
316.10541	0.4
317.17889	22.7
320.06497	0.8
321.04944	100.0
322.05322	0.9
332.06555	1.3
334.08212	1.7
335.06488	1.5
335.18921	7.4
339.02136	0.4
339.05960	6.4
345.04840	0.6
347.06439	0.8
358.20590	1.7
359.19043	0.8
362.07529	5.4
363.05927	1.5
381.07104	5.8
399.08145	1.4
437.09698	25.3
438.10052	1.0
453.09177	1.4
455.10754	44.9
456.11200	1.0
473.11853	0.7
497.24265	0.5
539.25256	8.4
553.26825	11.6
571.27722	1.7
659.29431	0.8
715.32141	52.5
716.32617	2.0
1039.54041	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	103.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	3.6
53.03952	32.7
55.01876	0.8
58.05180	0.7
60.02130	1.4
60.08179	0.8
60.95845	1.4
63.72425	0.6
70.06252	3.4
77.03935	9.2
81.03416	2.8
85.02913	0.9
88.01638	1.2
95.04980	29.8
95.85447	0.6
98.21151	1.5
98.59004	0.6
102.04690	5.8
103.05480	100.0
104.05817	1.7
104.10762	1.9
105.04534	15.1
105.97558	0.7
115.81717	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.4
53.03951	19.5
56.96571	15.3
57.03453	4.5
57.17588	0.8
58.06596	3.4
59.05001	0.8
60.02151	11.9
60.04525	1.5
60.08166	6.3
60.95864	10.3
62.93006	0.9
67.51072	2.8
69.03429	3.5
70.86609	1.1
70.86940	1.8
73.02917	1.6
75.04459	2.5
75.94558	2.2
76.51559	1.1
77.03921	4.1
79.01866	2.2
79.52028	1.7
81.03412	3.6
81.68357	1.1
85.02915	7.0
86.03215	1.6
86.06077	1.8
87.04478	7.2
88.01606	8.3
88.02409	1.1
88.51592	1.7
88.52520	1.3
89.15913	0.8
89.52351	2.6
92.68789	0.8
95.04977	22.2
102.04060	1.0
102.04698	3.9
102.96876	3.2
103.03983	13.8
103.05475	100.0
103.09483	1.4
104.05840	1.8
104.10748	12.5
105.04507	8.4
120.97903	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	1028.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04989	0.9
71.54963	0.3
72.04507	1.2
73.02911	0.6
74.00661	1.3
76.02232	20.4
79.05067	0.6
79.05498	7.2
80.05019	1.2
81.03423	40.2
81.07059	5.2
83.04991	2.3
83.06133	0.9
83.08140	0.6
83.08623	8.7
84.04041	0.6
84.04510	9.1
85.02904	1.5
85.04020	0.4
85.06534	0.6
86.00661	0.7
86.06046	0.4
86.99047	1.2
88.02213	1.1
90.05559	16.0
91.05486	10.0
92.01720	1.0
93.07052	5.4
95.04971	11.4
95.08601	1.9
97.01119	0.9
97.02913	1.9
97.06532	1.2
97.10173	1.9
100.02189	0.9
103.05478	0.4
104.01698	5.1
105.07036	7.5
107.04968	4.1
107.08607	3.1
109.06542	2.1
109.10165	1.0
110.99207	0.3
111.02644	0.5
111.04434	1.0
111.08073	3.6
113.00632	0.5
113.01666	0.3
114.03780	0.7
115.05430	0.8
116.01694	8.9
117.07006	1.3
119.04903	0.8
119.08588	6.3
121.02910	0.7
121.06495	2.0
121.10159	3.6
123.04400	0.6
123.08066	1.2
124.02193	0.6
125.09664	1.3
126.05517	4.2
127.04003	0.6
127.05039	6.3
128.06207	0.6
129.04843	0.5
129.07057	4.3
130.03244	1.4
130.05009	6.3
131.08603	4.4
133.06491	1.2
133.10130	2.5
135.08029	0.8
135.11658	0.6
137.06017	0.6
137.09595	0.9
138.03731	0.4
140.01582	0.6
141.04819	0.8
141.06644	0.5
142.03233	5.8
142.07776	1.0
143.08549	0.6
144.06551	2.0
145.06044	1.7
145.10133	1.1
146.02701	0.7
147.04430	0.5
147.05817	0.5
147.08014	1.7
147.11708	4.2
149.09625	3.1
153.06676	0.4
157.10153	5.3
158.02725	37.1
159.07701	1.3
159.11678	0.4
163.05409	0.6
163.11182	1.1
164.45909	0.3
165.12761	1.0
169.85727	0.3
170.02724	1.4
173.03754	0.5
173.09607	0.5
174.02115	0.3
175.05362	6.2
175.11191	5.5
176.03783	16.1
177.09099	0.4
177.12740	0.3
181.06155	0.6
185.03809	2.2
187.05312	2.1
189.11121	0.6
191.04866	11.4
191.14366	0.5
192.06735	0.3
193.06441	64.5
193.12250	16.6
194.12675	0.4
195.02832	0.5
203.04840	0.8
203.06589	0.3
205.12230	0.4
211.13336	1.6
215.04860	2.6
219.13857	0.5
227.12796	0.5
231.04362	1.0
233.05936	9.3
235.13303	0.7
241.06447	1.7
249.14926	1.1
250.12646	1.2
259.07541	1.2
266.12051	0.6
267.15933	50.1
268.13635	1.2
268.16327	1.2
269.17596	0.4
276.16104	0.5
287.07034	0.4
295.05884	0.8
296.06497	0.6
298.27750	0.4
302.08032	1.5
303.06305	0.6
304.09802	2.0
304.13022	0.5
305.07938	1.2
309.17258	0.4
311.05515	0.5
320.09186	1.0
322.10693	100.0
323.10779	1.6
325.07309	0.4
355.11691	0.4
367.22598	0.8
385.23666	2.2
403.24823	0.6
441.26373	0.5
459.27451	25.6
460.27643	1.3
466.14844	0.5
477.28510	6.2
484.15817	1.3
501.28439	1.4
515.21002	0.4
567.29547	1.2
588.31708	0.6
642.17017	0.4
651.33313	2.4
660.17944	0.8
669.34479	1.6
691.32031	0.9
709.33630	0.7
780.37384	3.0
798.38373	6.8
831.38660	0.6
871.38464	0.5
942.42035	0.7
960.43433	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	1018.5952
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04978	6.8
71.55425	2.2
79.05067	4.4
79.05498	66.8
81.03418	18.0
81.06583	4.9
81.07060	100.0
83.04976	14.5
83.08604	16.3
85.02896	8.9
85.06532	4.7
91.03973	3.7
91.04909	3.7
91.05479	66.9
93.07043	75.1
95.04987	20.2
95.08611	43.2
97.02901	7.9
97.06525	20.4
97.10188	13.5
99.08100	6.7
103.05440	2.9
105.04533	3.4
105.07035	53.6
107.04946	14.0
107.08598	48.6
109.06519	8.2
109.10139	16.7
111.08080	7.7
113.09616	2.7
115.05447	2.7
117.07017	24.9
117.14355	2.2
119.04948	2.8
119.08578	41.1
119.09362	3.5
121.06514	8.4
121.10160	25.0
123.04430	2.4
123.08071	6.0
123.11702	6.5
125.09642	10.1
127.03913	5.0
128.06207	4.9
129.07010	8.2
131.08569	30.8
133.06487	3.8
133.10147	30.7
135.08054	8.7
135.11696	24.6
137.09662	2.6
141.07025	4.7
142.07744	3.6
143.08582	10.8
145.04947	4.1
145.06561	2.6
145.10109	23.9
147.08067	5.3
147.11682	21.4
149.09634	16.7
149.13240	22.0
151.11200	5.1
155.08549	6.6
157.10132	10.1
159.11711	21.2
161.09625	3.2
161.13274	7.4
163.11201	10.8
165.12753	2.9
169.10124	6.9
171.11710	9.8
173.04480	3.1
173.11861	2.8
173.13310	8.1
175.11310	2.9
175.14873	2.9
177.12778	6.1
179.14354	2.8
181.10229	4.1
183.11713	3.4
185.13304	4.0
187.11105	3.4
195.13826	5.2
197.13298	3.9
209.13258	3.4
227.12807	11.0
229.19519	4.3
239.18086	5.3
255.15874	12.3
257.19043	12.1
267.15933	3.6
269.17493	48.1
275.20111	48.0
293.21075	4.1
331.22949	2.8
349.23795	51.2
367.24994	11.9
439.26791	2.9
447.31003	4.0
449.29108	25.1
451.32178	3.0
463.30661	42.5
503.33118	3.7
525.35388	5.1
529.34937	8.4
538.21307	2.7
543.29358	4.5
543.36926	54.2
547.36151	2.8
561.37646	9.1
607.35242	3.8
611.91638	2.8
623.42786	11.8
641.43939	11.6
659.44885	6.2
705.41736	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	1018.5952
Annotation	Unknow
Peak:m/z	Relative Intensity
70.93172	1.7
71.01366	3.7
71.04991	4.8
71.55018	3.2
73.02915	5.7
77.03925	2.4
79.05498	57.7
81.03419	13.0
81.07061	77.7
83.04993	11.2
83.08619	18.1
85.02907	28.4
85.06537	5.2
87.04469	4.4
91.03958	9.3
91.04969	2.8
91.05486	34.7
93.07050	54.5
93.76131	1.9
95.04975	8.2
95.08611	48.5
97.02897	12.5
97.06516	6.5
97.10181	17.2
99.04465	4.1
99.08093	2.2
105.07020	21.7
107.02744	2.1
107.04935	3.1
107.08604	41.9
109.06516	5.5
109.10160	80.5
111.04453	2.7
111.08086	7.0
115.05484	2.1
117.07019	10.4
119.08582	20.4
121.06489	2.5
121.10146	22.5
123.08083	5.2
123.11713	6.3
125.09644	20.0
127.03909	3.3
129.05455	2.6
129.06979	4.5
131.08574	15.7
133.10135	11.9
135.11676	17.6
137.09622	5.8
137.13272	3.1
143.08577	2.7
143.10646	3.9
145.04921	6.0
145.10123	14.8
147.08037	2.3
147.11693	7.7
149.13228	9.9
153.12737	5.3
155.10632	3.1
157.10110	3.6
159.11696	6.7
161.13239	5.6
163.06029	3.6
163.11172	11.8
163.14876	4.2
173.09618	4.0
173.11746	20.8
173.13283	7.2
175.14835	3.5
181.12245	3.7
183.11598	2.3
187.14836	4.6
189.11203	2.4
191.10695	2.2
193.12166	2.8
199.13248	7.4
209.11713	7.7
227.12801	11.5
229.12099	3.3
229.14375	66.7
233.22658	2.2
243.21150	6.5
257.13840	2.7
261.22162	27.2
267.15891	5.5
283.15436	5.1
299.23532	2.5
301.16428	18.8
315.23352	3.1
317.24652	2.7
327.23016	2.7
333.24057	2.3
335.25815	100.0
336.25964	2.3
399.23801	22.2
451.32458	3.5
477.35999	9.5
489.35773	26.2
543.36566	5.6
561.37732	9.3
579.38977	6.5
659.45148	37.8
1018.58398	10.8
1019.56421	2.3
1020.78156	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	1018.595
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04981	3.0
73.02897	4.5
73.13374	1.6
79.05498	52.5
81.03431	8.8
81.07059	66.2
83.04987	8.1
83.08620	15.8
85.02908	20.7
87.04466	3.9
91.03945	6.5
91.04964	2.5
91.05482	30.3
93.07051	49.1
95.04951	5.9
95.08611	44.0
97.02882	12.2
97.06507	5.9
97.10175	14.6
105.04533	2.4
105.07034	17.9
107.04963	2.0
107.08594	28.9
109.02881	2.1
109.06507	3.3
109.10162	61.5
109.86515	1.8
111.08058	5.2
111.15539	1.6
113.09636	1.7
117.07057	8.1
119.08588	17.6
121.10150	20.8
123.08096	3.3
123.11684	5.6
125.09628	16.5
127.03895	3.9
127.15453	1.5
129.06976	2.0
131.08585	12.2
133.10152	9.6
135.11693	19.0
137.09631	4.8
143.08473	1.6
143.10660	3.7
145.04938	5.4
145.10117	12.5
147.11661	6.7
149.13254	5.9
149.19435	1.6
153.12700	2.0
155.08627	1.8
155.10667	4.4
159.11685	5.9
161.13231	4.8
163.06029	4.8
163.11169	6.8
163.14804	2.5
173.09477	2.0
173.11719	15.3
173.13239	6.0
177.12779	2.2
180.08612	1.8
181.12224	3.9
187.14790	5.1
189.11229	1.7
191.10567	2.6
193.12259	3.2
199.13263	5.4
209.11710	5.8
211.13327	3.1
211.82101	1.6
213.14586	2.0
219.95241	1.7
227.12692	9.8
229.14360	48.4
243.21030	5.4
257.13834	3.7
259.20636	1.9
261.22180	16.8
267.15994	8.3
283.15503	3.7
301.16446	15.8
317.24832	4.1
325.29877	1.8
335.25809	100.0
336.26117	3.0
399.23758	13.6
477.35892	9.4
489.35785	24.9
490.35898	2.0
543.36426	4.0
561.37811	11.2
579.38477	4.4
659.45160	46.5
660.44733	1.9
827.56366	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	1016.5793
Annotation	Unknow
Peak:m/z	Relative Intensity
72.62300	1.3
79.05496	41.9
79.05957	2.0
81.03419	9.7
81.07061	47.4
83.04993	9.6
83.08192	1.8
83.08636	14.9
85.02899	5.3
85.06503	2.5
91.03931	2.3
91.05480	36.6
93.06483	2.0
93.07050	34.1
93.20520	1.3
95.04970	13.0
95.08599	22.5
97.02910	9.0
97.06527	11.0
97.10184	17.6
98.13147	1.4
99.04377	1.5
99.08075	1.7
103.05452	2.4
105.07030	27.4
107.04967	11.8
107.08601	28.8
109.06490	6.1
109.10171	12.6
111.04433	2.1
111.08073	4.4
115.05475	2.7
117.07018	13.5
119.04955	2.1
119.08582	22.1
121.06492	3.9
121.10161	12.0
123.08065	4.5
123.11707	2.6
125.09637	13.9
127.03939	2.8
129.06985	6.0
131.08575	17.5
133.06493	5.6
133.10135	17.7
135.08063	5.9
135.11681	7.7
137.09604	2.0
141.06927	1.6
143.08582	6.1
145.06496	1.6
145.10141	14.0
147.08041	7.1
147.11702	6.3
149.09581	10.4
149.13313	7.8
151.07684	1.7
151.11172	3.9
157.10101	3.4
159.11729	10.7
161.09648	3.8
161.13297	3.6
163.11211	6.1
165.09093	2.6
171.11688	3.6
173.09613	2.2
173.13214	3.7
175.11232	3.0
177.12738	2.6
181.10243	1.9
183.11655	2.1
184.07329	2.0
189.11183	9.4
191.18172	1.7
193.12347	1.8
195.13799	3.0
197.13083	1.8
199.14815	1.5
205.12341	1.6
205.15964	1.9
223.13271	19.3
227.12749	18.6
233.15340	1.8
239.17868	2.8
245.18991	2.2
249.14897	3.6
253.14331	6.3
255.15886	5.3
257.19016	6.3
267.15900	3.2
269.17471	17.0
273.18497	18.0
275.20050	23.7
291.19550	100.0
292.19760	2.2
293.21085	1.9
331.22696	2.2
347.22147	3.5
349.19730	2.2
349.23758	26.5
365.23248	47.7
369.96643	1.6
442.40643	1.9
461.29266	2.9
519.33136	2.3
535.32678	2.6
539.74164	1.5
541.34821	4.1
543.36816	2.0
545.34705	16.1
559.36334	66.0
560.36530	2.4
566.98444	1.7
611.43243	1.9
621.41663	1.7
639.42590	39.4
657.43250	5.7
703.40173	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	1011.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55686	0.5
91.05406	1.1
103.05466	2.2
131.04916	3.5
133.18683	0.4
137.02296	0.5
137.91064	0.4
145.06447	0.7
147.04353	1.4
151.00679	0.6
157.06422	1.6
159.04408	4.7
167.00139	1.0
169.01781	0.5
170.99660	0.5
172.99007	0.9
173.05949	1.3
177.05444	2.9
178.99998	0.5
179.08543	0.6
184.99158	0.4
185.01199	2.7
191.00159	8.6
194.99655	0.6
197.01199	0.7
197.09616	0.6
203.00108	2.5
203.02187	1.5
208.00397	0.4
209.01221	25.0
211.02805	0.4
213.00719	1.3
214.01671	0.4
215.10657	1.9
218.42342	0.4
218.99632	0.9
220.99370	0.5
221.01266	5.7
222.02043	0.4
225.04160	0.6
227.02260	13.7
227.06851	0.5
232.00578	1.0
232.02818	2.3
234.01990	0.6
237.00584	2.1
239.02205	2.0
243.03374	0.7
244.97594	1.7
245.03288	0.7
245.08519	0.5
250.01483	2.3
250.03883	0.5
251.03836	0.8
253.01688	0.5
253.05399	0.4
255.03452	0.6
256.04224	0.5
259.02634	0.5
262.98688	3.8
263.09570	1.4
265.01819	0.6
265.07468	0.6
266.02441	0.7
267.03180	0.7
269.04837	1.3
269.07889	0.5
270.02060	0.7
271.02795	3.1
271.06296	0.9
273.04376	0.7
277.01611	0.7
277.07587	0.8
279.03342	3.0
280.99652	0.5
282.01740	0.5
283.02838	1.4
284.03479	2.2
285.04333	1.8
287.02509	1.8
287.05557	0.6
289.03845	1.7
289.07437	1.4
294.01993	1.3
295.02740	7.1
295.06021	0.6
297.04306	5.6
298.01416	0.5
298.04852	0.9
299.02383	0.5
299.05838	0.9
300.02988	1.1
301.03958	2.5
302.04471	1.9
303.02081	0.5
303.05472	0.9
305.03418	0.4
307.02744	11.7
307.08286	0.7
308.03510	1.8
311.02396	1.2
312.03085	4.0
313.03833	25.8
314.04099	0.7
315.05402	5.5
316.06168	0.7
318.04742	0.4
320.05850	0.5
321.07983	1.6
322.01450	0.6
325.03830	71.0
325.14426	1.7
326.04468	4.0
329.03528	0.7
330.04001	0.5
331.04883	14.7
333.06366	1.1
335.05750	0.7
336.05429	2.8
337.03934	0.6
339.05481	0.7
339.09021	3.3
340.02542	0.6
343.04907	23.9
344.05649	0.9
345.07852	1.1
348.05392	7.6
349.06171	2.2
353.07108	0.8
354.06525	0.6
355.04898	0.8
357.10172	0.5
361.05969	1.6
363.09027	39.5
364.09436	1.0
366.06424	1.2
373.05423	0.5
379.08408	0.8
381.10101	100.0
382.10574	1.7
386.10785	0.6
399.11160	49.0
400.11475	1.2
404.11710	15.1
405.12042	0.7
417.12195	10.7
422.12848	5.2
459.34125	0.5
499.10565	0.8
517.11823	2.8
535.13141	1.2
540.13385	0.5
577.18976	11.7
595.20142	1.3
618.21246	1.0
687.22656	90.5
688.23071	3.3
705.23743	33.8
706.23877	1.4
719.25494	0.7
728.25323	13.4
729.26349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55318	0.6
84.96039	0.6
91.05470	1.4
93.07035	0.5
105.67901	0.5
119.04929	2.7
136.49060	0.6
147.04434	6.6
167.00179	0.6
179.00275	0.6
185.01311	0.7
191.00220	2.0
195.03346	1.9
203.00183	5.8
203.02083	0.6
205.01773	3.6
209.01256	4.5
213.04404	2.5
219.03285	0.8
221.01239	11.5
221.03278	0.8
223.02780	9.3
225.00731	1.2
227.02283	2.0
231.03331	0.7
233.04942	1.3
235.02783	0.6
237.00754	1.3
237.04446	0.7
239.02208	4.0
241.03806	4.8
243.03471	0.8
244.03079	0.8
247.02873	1.6
249.04411	0.8
251.06036	1.4
253.07716	0.6
257.04929	1.6
259.02820	0.6
259.06735	0.9
261.04446	2.2
271.02783	2.6
273.04373	0.9
275.05875	3.9
277.04025	1.3
277.07562	2.8
279.05643	1.2
281.04797	1.1
283.02869	4.3
283.06198	1.1
284.03461	0.7
285.04382	3.5
289.04010	2.5
293.07150	2.3
295.02420	2.8
295.08603	2.2
297.03940	2.4
298.04990	1.1
299.05988	1.0
301.03815	7.6
303.05380	2.7
305.73331	0.5
307.02679	2.5
309.04218	4.7
311.02390	0.7
312.03195	1.6
313.03833	9.2
313.06995	0.7
315.05658	2.2
316.06174	1.3
319.06314	0.9
321.07968	0.6
325.03876	13.2
325.07681	0.9
326.04599	1.9
327.05414	19.0
329.03302	2.6
330.04144	3.4
331.04932	16.9
333.07968	0.7
335.05927	0.7
336.05475	0.9
337.04245	0.5
337.07602	2.9
339.05429	0.8
339.09198	1.4
343.04904	20.8
344.05630	1.2
345.06485	35.2
347.04373	0.8
348.05508	1.9
349.05997	3.0
350.07169	1.9
354.06546	1.3
355.04855	1.1
355.08673	2.3
361.06616	7.0
363.07925	5.2
366.06586	1.9
367.04785	0.8
368.08322	3.1
377.07172	0.7
378.04080	0.6
379.08582	13.7
381.05630	0.9
381.10196	11.1
385.09647	1.0
386.08994	0.6
393.10107	1.5
397.09616	27.5
398.10321	0.9
399.11182	20.9
400.11493	0.6
402.10181	2.2
404.11865	1.6
411.11246	3.4
415.10681	7.4
417.12271	4.2
420.11093	2.8
422.12729	1.8
429.12595	0.9
445.09671	1.6
455.08047	0.7
473.09164	0.9
545.09296	1.1
563.10144	4.3
581.11407	1.7
619.16229	3.1
631.16443	100.0
632.17102	3.5
649.17535	20.9
672.19159	9.4
673.19427	0.7
687.22693	47.6
688.23126	1.2
705.23932	7.1
728.25323	2.8
746.76868	0.5
822.62885	0.5
992.51031	0.9
993.51996	1.6
1011.54462	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1010.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02947	2.2
70.34325	3.5
70.34680	5.0
71.04996	3.6
72.04516	3.1
73.02913	4.5
74.00658	8.5
75.01473	1.9
76.02235	20.5
79.05500	24.3
80.05016	6.3
81.03427	20.1
81.07062	22.5
82.06578	2.6
82.77106	1.5
83.04998	8.0
83.06112	9.9
83.08628	11.8
84.04507	31.9
85.01138	3.5
85.02918	9.1
85.04033	1.6
85.06549	2.2
86.00665	3.7
86.99047	4.2
88.02207	2.9
90.05564	34.4
91.05495	20.6
93.07041	17.4
94.06569	4.6
95.04977	10.1
95.08607	16.2
96.04493	6.0
97.01129	29.6
97.02915	5.2
97.06541	5.1
97.10188	10.7
98.00658	3.0
98.02456	2.3
98.06077	5.4
99.05577	5.0
99.61622	1.8
100.02194	7.3
100.03978	5.1
102.03772	3.5
102.05587	2.7
104.01691	5.4
105.07028	13.2
106.06525	2.2
107.04945	9.5
107.06084	5.3
107.08605	12.2
108.04476	3.5
109.02887	3.2
109.06528	2.4
109.07649	6.8
109.10166	47.3
110.06087	2.1
111.02662	4.7
111.04420	2.0
111.08077	3.9
112.02200	15.0
113.00600	20.2
113.90175	1.7
114.03766	17.7
116.01674	15.2
116.07074	1.9
117.07033	6.2
119.08583	11.6
121.06516	3.5
121.10167	8.4
122.06017	2.7
123.02618	3.3
123.04442	2.1
123.08070	5.5
124.02144	3.0
124.03993	4.9
125.00584	3.1
125.09641	7.1
126.03791	9.8
126.05523	18.0
127.04104	2.3
127.05045	10.7
128.05313	3.0
129.05630	2.7
129.06682	6.6
130.03331	1.7
130.05043	13.5
131.08566	6.5
133.10141	7.6
134.05991	2.1
135.02690	2.3
135.05531	5.2
135.08058	4.1
135.11691	6.4
136.03967	3.7
137.00562	3.9
137.05991	2.5
137.07069	1.7
137.09637	3.8
138.03755	5.7
139.02151	4.0
139.03201	4.2
140.01666	10.5
141.04788	2.4
141.06595	8.7
142.03242	10.8
144.06555	10.3
145.06094	7.6
145.10126	8.0
147.02623	3.8
147.07999	2.1
147.11700	2.9
149.09663	4.4
151.02089	2.3
152.48058	1.7
153.06599	10.8
153.12766	5.6
155.08167	17.8
155.10703	4.2
156.06560	4.1
157.10170	5.0
158.02733	31.5
159.07658	22.4
159.11710	2.4
161.09630	5.2
163.05524	1.8
163.11172	11.1
166.03192	2.0
168.04994	2.2
170.02753	3.5
170.11803	3.0
171.07896	4.9
173.09283	10.2
173.11678	10.6
174.02155	1.8
175.05569	2.4
176.03775	5.2
177.05836	1.6
177.07388	2.7
181.06105	41.9
181.12221	2.5
182.06805	3.8
185.03831	13.5
187.05405	5.6
189.09129	3.0
189.11208	3.0
191.04881	51.4
191.10721	4.9
193.06471	13.9
193.12154	4.0
195.08340	5.2
196.04518	1.8
196.06111	1.9
199.07225	12.7
203.04919	3.1
205.06715	3.7
207.04402	14.7
207.07658	2.0
209.05945	4.1
209.11742	1.8
211.13329	3.6
215.04909	4.5
215.10329	3.4
216.05653	4.4
219.08226	2.6
220.11505	3.0
222.09555	2.8
223.07925	9.8
224.11052	2.4
227.12825	5.8
229.06554	3.1
229.14394	17.5
231.04330	12.8
232.05156	3.8
233.05960	7.5
236.11040	5.0
238.12555	11.4
238.14696	2.1
240.10574	2.1
247.03819	13.3
248.11032	15.4
249.09444	5.3
254.12077	6.5
256.13773	2.4
266.12125	55.4
267.10352	2.3
267.15833	12.1
270.10736	14.1
282.11731	2.1
283.15500	5.6
284.13190	20.0
285.16931	2.1
288.11920	11.2
294.11426	7.8
300.12479	1.9
302.08060	13.4
311.14264	3.9
318.07492	3.2
320.09180	23.1
321.09900	3.6
322.10922	7.9
323.14307	2.8
332.13174	3.2
336.08636	28.8
338.10370	2.9
340.15726	8.5
341.15497	2.3
348.12503	2.9
350.14124	2.0
353.15335	3.8
358.17218	2.0
365.15201	4.5
383.16281	5.4
445.20166	2.8
457.19629	2.8
475.27167	2.7
493.27902	2.7
494.25818	2.7
506.19754	2.1
512.26550	6.9
568.29254	2.9
584.28192	2.7
599.30011	5.2
602.29474	4.6
611.29840	14.3
619.29309	1.8
628.30212	5.6
629.31073	47.7
630.31262	2.5
637.31219	7.3
665.30737	3.2
683.31818	6.9
687.31018	4.7
701.33221	100.0
702.33521	3.6
719.34137	18.5
741.32727	2.8
758.34845	6.0
759.33191	5.5
776.35638	7.6
830.37085	8.7
848.38458	53.3
849.38373	2.8
863.37415	6.2
881.37732	3.3
1010.42548	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
55.05501	4.1
56.05027	2.3
56.96571	3.5
59.04996	2.3
59.06113	2.1
59.99924	1.3
61.51923	1.3
70.26530	2.7
70.26924	3.2
73.02921	1.9
79.01880	1.5
82.01450	2.7
82.99850	4.9
83.01502	7.3
84.01211	2.1
98.20775	1.5
100.02499	2.7
101.00890	45.6
101.02559	16.5
101.07222	1.5
102.02241	3.0
119.01931	100.0
119.03663	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40332	1.5
56.96559	3.0
58.96161	3.0
60.95864	1.7
70.73984	4.9
78.52988	1.5
79.63689	1.3
82.01447	2.5
82.99835	5.2
83.01507	15.2
98.21010	2.2
100.02477	4.1
101.00890	45.7
101.02565	28.8
102.02229	3.2
119.01931	100.0
119.03642	5.8
119.06324	1.6
END